============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TRP 2 1.040 -6.652 50.026 23.585 -99.200 -91.000 TRP6 2 1.020 -6.386 52.375 23.688 -99.200 -91.000 TYR 5 0.840 -2.850 54.901 20.140 -99.200 -91.000 PHE 16 1.000 8.081 64.192 23.088 -99.200 -91.000 TYR 17 0.840 10.500 63.448 29.519 -99.200 -91.000 PHE 25 1.000 18.138 56.150 30.531 -99.200 -91.000 PHE 29 1.000 11.136 68.718 36.011 -99.200 -91.000 TYR 30 0.840 9.987 68.388 25.377 -99.200 -91.000 PHE 42 1.000 19.579 58.465 41.406 -99.200 -91.000 TYR 44 0.840 16.971 54.138 44.327 -99.200 -91.000 TRP 45 1.040 9.904 58.420 43.310 -99.200 -91.000 TRP6 45 1.020 7.651 57.798 42.911 -99.200 -91.000 TRP 46 1.040 10.292 60.505 39.533 -99.200 -91.000 TRP6 46 1.020 10.470 62.464 38.212 -99.200 -91.000 HIS 49 0.900 7.167 53.257 40.255 -99.200 -91.000 TYR 58 0.840 11.150 39.635 28.232 -99.200 -91.000 TYR 74 0.840 17.859 46.409 39.377 -99.200 -91.000 HIS 76 0.900 21.069 55.453 34.608 -99.200 -91.000 HIS 87 0.900 17.169 56.951 48.366 -99.200 -91.000 PHE 89 1.000 13.540 60.491 51.042 -99.200 -91.000 TYR 90 0.840 13.447 52.872 56.178 -99.200 -91.000 TRP 94 1.040 7.985 53.448 45.220 -99.200 -91.000 TRP6 94 1.020 5.808 52.581 44.906 -99.200 -91.000 TYR 100 0.840 9.587 38.235 43.044 -99.200 -91.000 TYR 103 0.840 14.762 35.323 41.091 -99.200 -91.000 TYR 111 0.840 18.934 41.591 37.973 -99.200 -91.000 TRP 119 1.040 10.555 41.388 53.607 -99.200 -91.000 TRP6 119 1.020 11.409 40.135 55.423 -99.200 -91.000 TRP 127 1.040 7.068 47.493 63.241 -99.200 -91.000 TRP6 127 1.020 5.204 47.215 61.810 -99.200 -91.000 PHE 134 1.000 7.957 47.703 57.827 -99.200 -91.000 TRP 136 1.040 8.611 59.265 53.221 -99.200 -91.000 TRP6 136 1.020 9.033 61.590 53.200 -99.200 -91.000 TYR 141 0.840 8.849 62.329 63.243 -99.200 -91.000 TYR 142 0.840 5.273 61.067 57.004 -99.200 -91.000 PHE 151 1.000 7.619 44.722 54.839 -99.200 -91.000 TRP 157 1.040 4.769 40.324 44.303 -99.200 -91.000 TRP6 157 1.020 5.751 42.018 42.967 -99.200 -91.000 TYR 159 0.840 3.959 32.467 52.356 -99.200 -91.000 TYR 167 0.840 10.630 36.487 52.964 -99.200 -91.000 TRP 170 1.040 8.406 40.845 59.623 -99.200 -91.000 TRP6 170 1.020 8.231 42.913 60.761 -99.200 -91.000 TYR 174 0.840 -4.763 43.987 54.865 -99.200 -91.000 TRP 176 1.040 0.404 50.662 62.053 -99.200 -91.000 TRP6 176 1.020 0.800 52.065 60.193 -99.200 -91.000 PHE 187 1.000 -9.274 58.467 49.912 -99.200 -91.000 TYR 202 0.840 -7.999 62.835 58.504 -99.200 -91.000 TRP 204 1.040 -0.811 66.040 51.852 -99.200 -91.000 TRP6 204 1.020 1.425 65.560 52.455 -99.200 -91.000 PHE 206 1.000 -0.953 62.876 47.287 -99.200 -91.000 TYR 208 0.840 2.004 57.417 45.771 -99.200 -91.000 TYR 213 0.840 -5.760 48.757 51.824 -99.200 -91.000 TYR 221 0.840 -9.520 36.488 47.056 -99.200 -91.000 TYR 229 0.840 -6.739 39.458 53.366 -99.200 -91.000 PHE 250 1.000 -7.716 57.775 38.537 -99.200 -91.000 PHE 262 1.000 1.995 60.613 43.966 -99.200 -91.000 PHE 266 1.000 -6.641 53.432 40.756 -99.200 -91.000 TYR 267 0.840 -5.054 54.461 34.614 -99.200 -91.000 TYR 269 0.840 0.477 47.499 42.158 -99.200 -91.000 PHE 270 1.000 -9.379 50.272 38.072 -99.200 -91.000 TYR 282 0.840 -14.256 48.824 39.122 -99.200 -91.000 PHE 285 1.000 -11.394 55.352 35.057 -99.200 -91.000 TYR 302 0.840 8.154 59.482 18.191 -99.200 -91.000 TRP 307 1.040 -3.486 60.827 31.411 -99.200 -91.000 TRP6 307 1.020 -4.136 58.567 31.647 -99.200 -91.000 TYR 317 0.840 12.319 60.383 34.045 -99.200 -91.000 HIS 335 0.900 -3.200 38.142 28.736 -99.200 -91.000 HIS 336 0.900 -10.601 34.430 28.025 -99.200 -91.000 HIS 337 0.900 -5.990 36.505 34.212 -99.200 -91.000 HIS 338 0.900 -10.243 33.772 38.670 -99.200 -91.000 HIS 339 0.900 -16.916 28.959 32.726 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k7xA1 LYS 2 HA -0.32 0.04 0.18 -0.75 4.32 3.47 3k7xA1 LYS 2 HB2 -0.08 -0.14 -0.01 -0.04 1.87 1.60 3k7xA1 LYS 2 HB3 -0.06 -0.02 0.09 -0.04 1.79 1.76 3k7xA1 LYS 2 HG2 -0.12 0.04 0.05 -0.04 1.46 1.39 3k7xA1 LYS 2 HG3 -0.11 0.01 0.03 -0.04 1.46 1.35 3k7xA1 LYS 2 HD2 -0.06 0.02 0.01 -0.04 1.69 1.63 3k7xA1 LYS 2 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.59 3k7xA1 LYS 2 HE2 -0.02 0.06 0.01 -0.04 2.99 3.00 3k7xA1 LYS 2 HE3 -0.03 -0.05 0.04 -0.04 2.99 2.91 3k7xA1 TRP 3 H -0.10 0.19 0.09 -0.55 7.97 7.60 3k7xA1 TRP 3 HA 0.18 0.11 0.41 -0.75 4.62 4.57 3k7xA1 TRP 3 HB2 0.03 0.00 0.03 -0.04 3.23 3.25 3k7xA1 TRP 3 HB3 0.04 0.08 -0.22 -0.04 3.23 3.08 3k7xA1 TRP 3 HD1 0.03 0.02 0.01 -0.04 7.22 7.24 3k7xA1 TRP 3 HE1 0.03 -0.01 -0.01 -0.04 10.20 10.17 3k7xA1 TRP 3 HE3 0.06 -0.05 0.00 -0.04 7.59 7.55 3k7xA1 TRP 3 HZ2 -0.01 0.02 -0.02 -0.04 7.44 7.39 3k7xA1 TRP 3 HZ3 -0.43 0.05 -0.11 -0.04 7.13 6.60 3k7xA1 TRP 3 HH2 -0.15 0.01 -0.32 -0.04 7.19 6.68 3k7xA1 SER 4 H 0.14 0.12 -0.13 -0.55 8.46 8.05 3k7xA1 SER 4 HA 0.11 0.11 0.38 -0.75 4.49 4.34 3k7xA1 SER 4 HB2 0.03 0.05 0.00 -0.04 3.95 3.99 3k7xA1 SER 4 HB3 0.06 0.08 0.08 -0.04 3.93 4.11 3k7xA1 GLU 5 H -0.01 0.16 -0.42 -0.55 8.60 7.79 3k7xA1 GLU 5 HA -0.04 0.03 0.47 -0.75 4.29 4.00 3k7xA1 GLU 5 HB2 -0.23 0.30 0.08 -0.04 2.09 2.20 3k7xA1 GLU 5 HB3 -0.17 -0.03 0.03 -0.04 1.99 1.78 3k7xA1 GLU 5 HG2 -0.07 -0.03 -0.02 -0.04 2.34 2.17 3k7xA1 GLU 5 HG3 -0.07 -0.12 -0.02 -0.04 2.34 2.09 3k7xA1 TYR 6 H 0.11 0.49 -0.09 -0.55 8.29 8.25 3k7xA1 TYR 6 HA 0.00 0.04 0.47 -0.75 4.56 4.32 3k7xA1 TYR 6 HB2 0.26 0.06 0.15 -0.04 3.06 3.49 3k7xA1 TYR 6 HB3 0.17 -0.01 -0.04 -0.04 2.98 3.06 3k7xA1 TYR 6 HD2 -0.20 -0.03 -0.09 -0.04 7.15 6.79 3k7xA1 TYR 6 HE2 -0.23 -0.00 -0.06 -0.04 6.85 6.51 3k7xA1 ALA 7 H 0.19 0.52 -0.31 -0.55 8.40 8.25 3k7xA1 ALA 7 HA 0.09 0.02 0.31 -0.75 4.34 4.01 3k7xA1 ALA 7 HB3 0.09 0.07 -0.06 -0.04 1.41 1.47 3k7xA1 ASN 8 H 0.05 0.41 -0.24 -0.55 8.53 8.21 3k7xA1 ASN 8 HA 0.04 0.00 0.43 -0.75 4.76 4.47 3k7xA1 ASN 8 HB2 0.01 0.03 0.12 -0.04 2.88 3.00 3k7xA1 ASN 8 HB3 -0.01 0.15 0.17 -0.04 2.79 3.06 3k7xA1 ASN 8 HD21 -0.01 -0.05 -0.07 -0.04 7.03 6.86 3k7xA1 ASN 8 HD22 -0.03 0.06 -0.06 -0.04 7.74 7.66 3k7xA1 LEU 9 H 0.03 0.54 -0.19 -0.55 8.37 8.19 3k7xA1 LEU 9 HA 0.00 -0.01 0.42 -0.75 4.35 4.00 3k7xA1 LEU 9 HB2 -0.06 0.02 0.11 -0.04 1.64 1.67 3k7xA1 LEU 9 HB3 0.08 0.13 0.14 -0.04 1.64 1.95 3k7xA1 LEU 9 HG 0.05 -0.09 -0.15 -0.04 1.64 1.41 3k7xA1 LEU 9 HD13 -0.30 0.02 0.11 -0.04 0.93 0.72 3k7xA1 LEU 9 HD23 0.01 0.02 -0.07 -0.04 0.89 0.81 3k7xA1 ALA 10 H 0.08 0.52 -0.30 -0.55 8.40 8.15 3k7xA1 ALA 10 HA 0.08 0.02 0.44 -0.75 4.34 4.12 3k7xA1 ALA 10 HB3 0.03 0.05 0.05 -0.04 1.41 1.50 3k7xA1 GLN 11 H 0.05 0.54 -0.18 -0.55 8.47 8.34 3k7xA1 GLN 11 HA 0.04 0.00 0.36 -0.75 4.36 4.00 3k7xA1 GLN 11 HB2 0.05 0.17 0.18 -0.04 2.15 2.51 3k7xA1 GLN 11 HB3 0.04 -0.10 0.01 -0.04 2.02 1.93 3k7xA1 GLN 11 HG2 0.04 0.29 0.07 -0.04 2.40 2.76 3k7xA1 GLN 11 HG3 0.04 -0.10 0.01 -0.04 2.39 2.31 3k7xA1 GLN 11 HE21 0.04 0.17 -0.08 -0.04 6.97 7.06 3k7xA1 GLN 11 HE22 0.04 -0.01 -0.03 -0.04 7.69 7.65 3k7xA1 GLN 12 H 0.08 0.45 -0.27 -0.55 8.47 8.19 3k7xA1 GLN 12 HA 0.05 -0.01 0.46 -0.75 4.36 4.11 3k7xA1 GLN 12 HB2 0.20 0.16 0.10 -0.04 2.15 2.57 3k7xA1 GLN 12 HB3 0.20 -0.08 0.05 -0.04 2.02 2.15 3k7xA1 GLN 12 HG2 0.06 -0.10 0.01 -0.04 2.40 2.33 3k7xA1 GLN 12 HG3 0.06 0.32 0.09 -0.04 2.39 2.82 3k7xA1 GLN 12 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.88 3k7xA1 GLN 12 HE22 0.03 -0.05 -0.02 -0.04 7.69 7.62 3k7xA1 SER 13 H 0.14 0.45 -0.24 -0.55 8.46 8.27 3k7xA1 SER 13 HA 0.00 -0.03 0.44 -0.75 4.49 4.14 3k7xA1 SER 13 HB2 0.16 0.16 0.22 -0.04 3.95 4.46 3k7xA1 SER 13 HB3 0.32 0.16 0.15 -0.04 3.93 4.52 3k7xA1 LEU 14 H 0.05 0.39 -0.26 -0.55 8.37 8.01 3k7xA1 LEU 14 HA 0.16 0.05 0.32 -0.75 4.35 4.13 3k7xA1 LEU 14 HB2 -0.00 0.18 0.11 -0.04 1.64 1.89 3k7xA1 LEU 14 HB3 -0.05 -0.06 0.05 -0.04 1.64 1.54 3k7xA1 LEU 14 HG -0.10 0.04 -0.04 -0.04 1.64 1.51 3k7xA1 LEU 14 HD13 -0.18 -0.01 -0.06 -0.04 0.93 0.63 3k7xA1 LEU 14 HD23 -0.28 -0.02 -0.06 -0.04 0.89 0.48 3k7xA1 GLU 15 H -0.04 0.26 -0.09 -0.55 8.60 8.18 3k7xA1 GLU 15 HA -0.09 -0.01 0.45 -0.75 4.29 3.88 3k7xA1 GLU 15 HB2 -0.06 0.10 0.08 -0.04 2.09 2.16 3k7xA1 GLU 15 HB3 -0.06 -0.01 0.06 -0.04 1.99 1.93 3k7xA1 GLU 15 HG2 -0.08 -0.00 -0.01 -0.04 2.34 2.21 3k7xA1 GLU 15 HG3 -0.01 0.04 0.04 -0.04 2.34 2.38 3k7xA1 LYS 16 H -0.23 0.30 -0.35 -0.55 8.42 7.58 3k7xA1 LYS 16 HA -0.44 -0.02 0.37 -0.75 4.32 3.48 3k7xA1 LYS 16 HB2 -0.81 0.03 0.10 -0.04 1.87 1.15 3k7xA1 LYS 16 HB3 -0.86 0.20 0.14 -0.04 1.79 1.22 3k7xA1 LYS 16 HG2 -1.51 -0.01 -0.04 -0.04 1.46 -0.14 3k7xA1 LYS 16 HG3 -1.38 0.00 -0.16 -0.04 1.46 -0.12 3k7xA1 LYS 16 HD2 -0.55 -0.02 0.09 -0.04 1.69 1.17 3k7xA1 LYS 16 HD3 -0.92 -0.02 0.01 -0.04 1.68 0.71 3k7xA1 LYS 16 HE2 -0.53 0.05 -0.00 -0.04 2.99 2.47 3k7xA1 LYS 16 HE3 -0.46 -0.01 -0.00 -0.04 2.99 2.48 3k7xA1 PHE 17 H -0.19 0.43 -0.21 -0.55 8.34 7.81 3k7xA1 PHE 17 HA -0.51 0.16 0.91 -0.75 4.62 4.43 3k7xA1 PHE 17 HB2 -0.45 0.08 0.02 -0.04 3.15 2.77 3k7xA1 PHE 17 HB3 -1.13 -0.08 0.04 -0.04 3.06 1.84 3k7xA1 PHE 17 HD2 -0.74 0.07 -0.04 -0.04 7.28 6.52 3k7xA1 PHE 17 HE2 -0.14 -0.06 -0.23 -0.04 7.38 6.90 3k7xA1 PHE 17 HZ -0.06 0.09 -0.15 -0.04 7.32 7.16 3k7xA1 TYR 18 H 0.00 0.32 0.04 -0.55 8.29 8.10 3k7xA1 TYR 18 HA 0.06 0.23 1.01 -0.75 4.56 5.11 3k7xA1 TYR 18 HB2 -0.21 0.10 0.01 -0.04 3.06 2.92 3k7xA1 TYR 18 HB3 -0.17 -0.06 0.09 -0.04 2.98 2.80 3k7xA1 TYR 18 HD2 0.10 0.16 -0.15 -0.04 7.15 7.21 3k7xA1 TYR 18 HE2 0.12 -0.00 -0.15 -0.04 6.85 6.78 3k7xA1 LEU 19 H -0.07 0.44 0.11 -0.55 8.37 8.30 3k7xA1 LEU 19 HA -0.12 0.11 0.52 -0.75 4.35 4.10 3k7xA1 LEU 19 HB2 -0.07 0.01 0.23 -0.04 1.64 1.77 3k7xA1 LEU 19 HB3 -0.05 -0.00 0.11 -0.04 1.64 1.66 3k7xA1 LEU 19 HG 0.00 0.17 -0.11 -0.04 1.64 1.66 3k7xA1 LEU 19 HD13 0.03 0.02 0.09 -0.04 0.93 1.03 3k7xA1 LEU 19 HD23 -0.01 -0.04 -0.03 -0.04 0.89 0.77 3k7xA1 ALA 20 H -0.04 0.41 0.02 -0.55 8.40 8.25 3k7xA1 ALA 20 HA 0.03 0.11 0.42 -0.75 4.34 4.15 3k7xA1 ALA 20 HB3 0.05 -0.04 -0.20 -0.04 1.41 1.17 3k7xA1 ASP 21 H 0.04 0.06 0.11 -0.55 8.40 8.06 3k7xA1 ASP 21 HA 0.02 0.18 0.45 -0.75 4.63 4.53 3k7xA1 ASP 21 HB2 0.03 -0.08 0.08 -0.04 2.71 2.70 3k7xA1 ASP 21 HB3 0.02 -0.00 0.02 -0.04 2.70 2.70 3k7xA1 THR 22 H 0.05 0.03 -0.10 -0.55 8.28 7.70 3k7xA1 THR 22 HA 0.03 0.29 0.97 -0.75 4.39 4.93 3k7xA1 THR 22 HB 0.04 -0.05 0.09 -0.04 4.32 4.36 3k7xA1 THR 22 HG23 0.03 0.03 -0.10 -0.04 1.22 1.14 3k7xA1 LYS 23 H 0.04 0.20 0.12 -0.55 8.42 8.22 3k7xA1 LYS 23 HA 0.07 0.16 0.41 -0.75 4.32 4.21 3k7xA1 LYS 23 HB2 0.02 0.06 0.03 -0.04 1.87 1.94 3k7xA1 LYS 23 HB3 0.03 0.05 0.09 -0.04 1.79 1.91 3k7xA1 LYS 23 HG2 0.03 -0.12 0.13 -0.04 1.46 1.46 3k7xA1 LYS 23 HG3 0.03 0.05 -0.11 -0.04 1.46 1.39 3k7xA1 LYS 23 HD2 0.01 0.04 -0.02 -0.04 1.69 1.68 3k7xA1 LYS 23 HD3 0.01 0.02 0.02 -0.04 1.68 1.70 3k7xA1 LYS 23 HE2 0.01 0.01 -0.02 -0.04 2.99 2.96 3k7xA1 LYS 23 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 3k7xA1 GLU 24 H 0.06 -0.02 -0.20 -0.55 8.60 7.89 3k7xA1 GLU 24 HA 0.10 0.13 0.34 -0.75 4.29 4.10 3k7xA1 GLU 24 HB2 0.04 -0.11 0.02 -0.04 2.09 2.00 3k7xA1 GLU 24 HB3 0.03 0.09 -0.07 -0.04 1.99 2.01 3k7xA1 GLU 24 HG2 0.01 0.03 -0.00 -0.04 2.34 2.34 3k7xA1 GLU 24 HG3 0.02 0.07 0.00 -0.04 2.34 2.39 3k7xA1 GLN 25 H 0.09 -0.04 -0.32 -0.55 8.47 7.66 3k7xA1 GLN 25 HA 0.14 0.14 0.47 -0.75 4.36 4.35 3k7xA1 GLN 25 HB2 0.07 -0.05 0.03 -0.04 2.15 2.16 3k7xA1 GLN 25 HB3 0.08 -0.05 0.03 -0.04 2.02 2.04 3k7xA1 GLN 25 HG2 0.08 -0.12 -0.11 -0.04 2.40 2.21 3k7xA1 GLN 25 HG3 0.09 0.06 -0.38 -0.04 2.39 2.12 3k7xA1 GLN 25 HE21 0.12 0.04 0.10 -0.04 6.97 7.19 3k7xA1 GLN 25 HE22 0.13 0.49 0.11 -0.04 7.69 8.38 3k7xA1 PHE 26 H 0.15 0.32 -0.21 -0.55 8.34 8.05 3k7xA1 PHE 26 HA -0.08 0.01 0.35 -0.75 4.62 4.14 3k7xA1 PHE 26 HB2 -0.46 0.09 -0.14 -0.04 3.15 2.59 3k7xA1 PHE 26 HB3 -0.25 0.30 0.33 -0.04 3.06 3.40 3k7xA1 PHE 26 HD2 -0.25 -0.00 0.01 -0.04 7.28 6.99 3k7xA1 PHE 26 HE2 -0.10 -0.03 -0.05 -0.04 7.38 7.16 3k7xA1 PHE 26 HZ -0.09 -0.01 -0.06 -0.04 7.32 7.11 3k7xA1 LEU 27 H -0.04 0.58 -0.14 -0.55 8.37 8.23 3k7xA1 LEU 27 HA -0.26 0.25 0.82 -0.75 4.35 4.41 3k7xA1 LEU 27 HB2 -0.52 -0.07 -0.01 -0.04 1.64 1.00 3k7xA1 LEU 27 HB3 -0.61 0.13 -0.05 -0.04 1.64 1.07 3k7xA1 LEU 27 HG -2.61 -0.08 -0.40 -0.04 1.64 -1.49 3k7xA1 LEU 27 HD13 -0.89 -0.02 -0.11 -0.04 0.93 -0.12 3k7xA1 LEU 27 HD23 -0.64 0.04 -0.17 -0.04 0.89 0.08 3k7xA1 ASN 28 H 0.07 0.80 0.18 -0.55 8.53 9.02 3k7xA1 ASN 28 HA 0.14 -0.02 0.53 -0.75 4.76 4.66 3k7xA1 ASN 28 HB2 0.24 0.20 0.05 -0.04 2.88 3.33 3k7xA1 ASN 28 HB3 0.21 -0.14 0.07 -0.04 2.79 2.89 3k7xA1 ASN 28 HD21 0.07 -0.07 -0.07 -0.04 7.03 6.91 3k7xA1 ASN 28 HD22 0.10 0.16 -0.10 -0.04 7.74 7.86 3k7xA1 ASN 29 H 0.18 0.11 0.13 -0.55 8.53 8.39 3k7xA1 ASN 29 HA 0.21 0.06 0.48 -0.75 4.76 4.76 3k7xA1 ASN 29 HB2 0.01 0.08 0.14 -0.04 2.88 3.07 3k7xA1 ASN 29 HB3 -0.66 -0.12 0.09 -0.04 2.79 2.06 3k7xA1 ASN 29 HD21 -0.09 0.49 0.19 -0.04 7.03 7.57 3k7xA1 ASN 29 HD22 0.03 0.39 0.33 -0.04 7.74 8.45 3k7xA1 PHE 30 H 0.37 0.03 -0.12 -0.55 8.34 8.06 3k7xA1 PHE 30 HA 0.44 0.31 0.98 -0.75 4.62 5.60 3k7xA1 PHE 30 HB2 0.12 -0.08 -0.10 -0.04 3.15 3.04 3k7xA1 PHE 30 HB3 0.12 0.08 -0.14 -0.04 3.06 3.08 3k7xA1 PHE 30 HD2 0.11 0.01 -0.26 -0.04 7.28 7.11 3k7xA1 PHE 30 HE2 0.08 0.06 0.01 -0.04 7.38 7.49 3k7xA1 PHE 30 HZ 0.11 -0.10 0.02 -0.04 7.32 7.31 3k7xA1 TYR 31 H 0.41 0.45 0.17 -0.55 8.29 8.77 3k7xA1 TYR 31 HA -0.00 -0.04 0.59 -0.75 4.56 4.36 3k7xA1 TYR 31 HB2 -0.71 0.21 -0.07 -0.04 3.06 2.45 3k7xA1 TYR 31 HB3 -0.28 0.00 0.10 -0.04 2.98 2.76 3k7xA1 TYR 31 HD2 -0.15 0.10 -0.03 -0.04 7.15 7.03 3k7xA1 TYR 31 HE2 -0.02 -0.01 -0.03 -0.04 6.85 6.74 3k7xA1 PRO 32 HA -0.80 0.18 0.32 -0.51 4.44 3.64 3k7xA1 PRO 32 HB2 -0.24 -0.08 -0.09 -0.04 2.28 1.83 3k7xA1 PRO 32 HB3 -0.43 0.05 0.04 -0.04 2.02 1.64 3k7xA1 PRO 32 HG2 -0.28 0.00 0.01 -0.04 2.03 1.72 3k7xA1 PRO 32 HG3 -0.89 0.10 -0.02 -0.04 2.03 1.18 3k7xA1 PRO 32 HD2 -0.18 -0.06 0.17 -0.04 3.68 3.57 3k7xA1 PRO 32 HD3 -0.23 0.38 0.21 -0.04 3.65 3.96 3k7xA1 THR 33 H -0.09 0.26 -0.04 -0.55 8.28 7.86 3k7xA1 THR 33 HA 0.01 0.09 0.71 -0.75 4.39 4.45 3k7xA1 THR 33 HB 0.16 0.26 -0.22 -0.04 4.32 4.48 3k7xA1 THR 33 HG23 0.07 0.01 0.08 -0.04 1.22 1.34 3k7xA1 GLU 34 H -0.04 0.18 -0.04 -0.55 8.60 8.15 3k7xA1 GLU 34 HA -0.02 0.14 0.48 -0.75 4.29 4.13 3k7xA1 ASN 35 H -0.00 0.06 -0.19 -0.55 8.53 7.85 3k7xA1 ASN 35 HA 0.01 0.29 0.88 -0.75 4.76 5.19 3k7xA1 ASN 35 HB2 -0.00 0.09 -0.04 -0.04 2.88 2.88 3k7xA1 ASN 35 HB3 0.00 -0.04 0.17 -0.04 2.79 2.89 3k7xA1 ASN 35 HD21 0.01 0.03 0.01 -0.04 7.03 7.04 3k7xA1 ASN 35 HD22 0.00 0.06 0.01 -0.04 7.74 7.77 3k7xA1 PRO 36 HA 0.08 0.05 0.35 -0.51 4.44 4.40 3k7xA1 PRO 36 HB2 0.04 -0.03 0.08 -0.04 2.28 2.33 3k7xA1 PRO 36 HB3 0.06 0.04 0.05 -0.04 2.02 2.13 3k7xA1 PRO 36 HG2 0.03 0.07 0.05 -0.04 2.03 2.14 3k7xA1 PRO 36 HG3 0.05 0.15 0.03 -0.04 2.03 2.22 3k7xA1 PRO 36 HD2 0.02 0.08 0.10 -0.04 3.68 3.84 3k7xA1 PRO 36 HD3 0.02 0.34 -0.55 -0.04 3.65 3.42 3k7xA1 GLU 37 H 0.03 0.15 -0.16 -0.55 8.60 8.07 3k7xA1 GLU 37 HA 0.04 0.09 0.29 -0.75 4.29 3.95 3k7xA1 GLU 37 HB2 0.02 0.01 0.08 -0.04 2.09 2.17 3k7xA1 GLU 37 HB3 0.02 -0.06 0.04 -0.04 1.99 1.95 3k7xA1 GLU 37 HG2 0.02 0.01 -0.06 -0.04 2.34 2.26 3k7xA1 GLU 37 HG3 0.03 0.04 -0.10 -0.04 2.34 2.26 3k7xA1 GLU 38 H 0.03 0.10 -0.19 -0.55 8.60 8.00 3k7xA1 GLU 38 HA 0.03 0.10 0.51 -0.75 4.29 4.18 3k7xA1 GLU 38 HB2 0.02 -0.03 0.10 -0.04 2.09 2.13 3k7xA1 GLU 38 HB3 0.02 0.04 0.11 -0.04 1.99 2.11 3k7xA1 GLU 38 HG2 0.01 -0.00 0.00 -0.04 2.34 2.31 3k7xA1 GLU 38 HG3 0.02 0.01 -0.09 -0.04 2.34 2.24 3k7xA1 ASP 39 H 0.06 0.52 0.02 -0.55 8.40 8.46 3k7xA1 ASP 39 HA 0.13 0.03 0.44 -0.75 4.63 4.47 3k7xA1 ASP 39 HB2 0.15 0.04 0.04 -0.04 2.71 2.91 3k7xA1 ASP 39 HB3 0.39 -0.05 0.05 -0.04 2.70 3.04 3k7xA1 ASN 40 H 0.09 0.57 -0.32 -0.55 8.53 8.32 3k7xA1 ASN 40 HA 0.10 0.11 0.82 -0.75 4.76 5.03 3k7xA1 ASN 40 HB2 0.08 0.10 0.03 -0.04 2.88 3.04 3k7xA1 ASN 40 HB3 0.08 0.01 0.14 -0.04 2.79 2.98 3k7xA1 ASN 40 HD21 0.10 -0.04 0.01 -0.04 7.03 7.05 3k7xA1 ASN 40 HD22 0.08 -0.03 -0.06 -0.04 7.74 7.69 3k7xA1 LYS 41 H 0.07 0.36 -0.33 -0.55 8.42 7.96 3k7xA1 LYS 41 HA 0.04 0.03 0.39 -0.75 4.32 4.03 3k7xA1 LYS 41 HB2 0.05 -0.02 0.14 -0.04 1.87 1.99 3k7xA1 LYS 41 HB3 0.04 -0.07 0.04 -0.04 1.79 1.75 3k7xA1 LYS 41 HG2 0.04 0.15 0.31 -0.04 1.46 1.93 3k7xA1 LYS 41 HG3 0.03 -0.10 0.12 -0.04 1.46 1.48 3k7xA1 LYS 41 HD2 0.03 -0.05 0.05 -0.04 1.69 1.68 3k7xA1 LYS 41 HD3 0.03 0.05 0.05 -0.04 1.68 1.78 3k7xA1 LYS 41 HE2 0.03 -0.01 -0.21 -0.04 2.99 2.75 3k7xA1 LYS 41 HE3 0.02 -0.05 -0.01 -0.04 2.99 2.91 3k7xA1 VAL 42 H 0.04 0.12 -0.19 -0.55 8.24 7.66 3k7xA1 VAL 42 HA 0.02 0.04 0.51 -0.75 4.13 3.94 3k7xA1 VAL 42 HB -0.09 0.04 0.11 -0.04 2.12 2.13 3k7xA1 VAL 42 HG13 -0.19 -0.04 -0.23 -0.04 0.97 0.47 3k7xA1 VAL 42 HG23 0.02 -0.00 0.03 -0.04 0.95 0.95 3k7xA1 PHE 43 H 0.12 0.16 0.21 -0.55 8.34 8.27 3k7xA1 PHE 43 HA -0.06 0.19 0.68 -0.75 4.62 4.68 3k7xA1 PHE 43 HB2 -0.01 0.14 0.12 -0.04 3.15 3.36 3k7xA1 PHE 43 HB3 -0.01 -0.05 0.27 -0.04 3.06 3.23 3k7xA1 PHE 43 HD2 0.02 0.02 0.00 -0.04 7.28 7.29 3k7xA1 PHE 43 HE2 0.00 0.04 -0.08 -0.04 7.38 7.30 3k7xA1 PHE 43 HZ 0.14 0.18 0.01 -0.04 7.32 7.61 3k7xA1 ASN 44 H -0.22 0.36 0.08 -0.55 8.53 8.20 3k7xA1 ASN 44 HA -0.56 0.06 0.61 -0.75 4.76 4.12 3k7xA1 ASN 44 HB2 -0.91 0.14 0.19 -0.04 2.88 2.26 3k7xA1 ASN 44 HB3 -1.93 -0.18 0.18 -0.04 2.79 0.82 3k7xA1 ASN 44 HD21 -1.27 -0.02 0.01 -0.04 7.03 5.71 3k7xA1 ASN 44 HD22 -1.40 0.09 0.07 -0.04 7.74 6.45 3k7xA1 TYR 45 H -0.71 0.61 0.05 -0.55 8.29 7.68 3k7xA1 TYR 45 HA -0.61 0.12 0.35 -0.75 4.56 3.65 3k7xA1 TYR 45 HB2 -1.28 0.11 0.11 -0.04 3.06 1.96 3k7xA1 TYR 45 HB3 -0.52 -0.08 0.18 -0.04 2.98 2.52 3k7xA1 TYR 45 HD2 -0.33 -0.07 0.01 -0.04 7.15 6.72 3k7xA1 TYR 45 HE2 -0.03 -0.00 -0.08 -0.04 6.85 6.70 3k7xA1 TRP 46 H 0.15 0.07 -0.15 -0.55 7.97 7.49 3k7xA1 TRP 46 HA -0.19 0.20 0.56 -0.75 4.62 4.45 3k7xA1 TRP 46 HB2 0.19 0.08 0.08 -0.04 3.23 3.55 3k7xA1 TRP 46 HB3 0.02 -0.04 0.10 -0.04 3.23 3.28 3k7xA1 TRP 46 HD1 -0.13 -0.03 0.02 -0.04 7.22 7.03 3k7xA1 TRP 46 HE1 0.31 -0.05 -0.01 -0.04 10.20 10.40 3k7xA1 TRP 46 HE3 -0.75 0.03 -0.06 -0.04 7.59 6.76 3k7xA1 TRP 46 HZ2 0.01 -0.05 0.02 -0.04 7.44 7.38 3k7xA1 TRP 46 HZ3 -1.02 0.04 -0.07 -0.04 7.13 6.03 3k7xA1 TRP 46 HH2 -0.21 -0.01 -0.09 -0.04 7.19 6.83 3k7xA1 TRP 47 H -0.33 0.17 -0.26 -0.55 7.97 7.00 3k7xA1 TRP 47 HA -0.92 0.07 0.47 -0.75 4.62 3.48 3k7xA1 TRP 47 HB2 -0.42 0.19 0.14 -0.04 3.23 3.10 3k7xA1 TRP 47 HB3 -0.55 0.05 -0.04 -0.04 3.23 2.65 3k7xA1 TRP 47 HD1 -2.64 -0.07 -0.11 -0.04 7.22 4.37 3k7xA1 TRP 47 HE1 -0.09 -0.08 -0.04 -0.04 10.20 9.95 3k7xA1 TRP 47 HE3 -2.08 0.11 -0.02 -0.04 7.59 5.56 3k7xA1 TRP 47 HZ2 -0.24 -0.21 -0.26 -0.04 7.44 6.69 3k7xA1 TRP 47 HZ3 -0.96 0.20 0.19 -0.04 7.13 6.52 3k7xA1 TRP 47 HH2 -0.62 0.04 0.05 -0.04 7.19 6.62 3k7xA1 LEU 48 H 0.06 0.47 -0.11 -0.55 8.37 8.24 3k7xA1 LEU 48 HA 0.21 0.04 0.39 -0.75 4.35 4.25 3k7xA1 LEU 48 HB2 0.16 0.13 0.09 -0.04 1.64 1.97 3k7xA1 LEU 48 HB3 0.24 0.01 0.01 -0.04 1.64 1.87 3k7xA1 LEU 48 HG 0.32 -0.03 0.00 -0.04 1.64 1.90 3k7xA1 LEU 48 HD13 0.51 0.01 -0.07 -0.04 0.93 1.34 3k7xA1 LEU 48 HD23 0.35 0.01 -0.01 -0.04 0.89 1.20 3k7xA1 ALA 49 H 0.00 0.22 -0.52 -0.55 8.40 7.55 3k7xA1 ALA 49 HA 0.05 0.04 0.42 -0.75 4.34 4.09 3k7xA1 ALA 49 HB3 0.01 0.09 -0.07 -0.04 1.41 1.40 3k7xA1 HIS 50 H 0.04 0.37 -0.22 -0.55 8.41 8.05 3k7xA1 HIS 50 HA 0.07 0.05 0.55 -0.75 4.63 4.54 3k7xA1 HIS 50 HB2 -0.24 0.12 0.16 -0.04 3.26 3.27 3k7xA1 HIS 50 HB3 -0.12 0.02 0.04 -0.04 3.20 3.10 3k7xA1 HIS 50 HD2 0.02 0.02 -0.01 -0.04 6.97 6.96 3k7xA1 HIS 50 HE1 -1.35 -0.05 -0.01 -0.04 7.75 6.30 3k7xA1 LEU 51 H 0.10 0.31 -0.24 -0.55 8.37 7.99 3k7xA1 LEU 51 HA 0.06 0.08 0.46 -0.75 4.35 4.20 3k7xA1 LEU 51 HB2 0.11 0.01 0.04 -0.04 1.64 1.76 3k7xA1 LEU 51 HB3 0.15 0.11 0.12 -0.04 1.64 1.97 3k7xA1 LEU 51 HG 0.12 -0.02 -0.23 -0.04 1.64 1.47 3k7xA1 LEU 51 HD13 0.02 -0.01 0.02 -0.04 0.93 0.93 3k7xA1 LEU 51 HD23 0.12 0.00 -0.06 -0.04 0.89 0.91 3k7xA1 VAL 52 H 0.11 0.48 -0.25 -0.55 8.24 8.03 3k7xA1 VAL 52 HA 0.09 0.02 0.41 -0.75 4.13 3.90 3k7xA1 VAL 52 HB 0.13 0.21 0.18 -0.04 2.12 2.59 3k7xA1 VAL 52 HG13 0.09 -0.01 -0.10 -0.04 0.97 0.91 3k7xA1 VAL 52 HG23 0.19 0.06 0.01 -0.04 0.95 1.17 3k7xA1 GLU 53 H 0.08 0.33 -0.25 -0.55 8.60 8.22 3k7xA1 GLU 53 HA 0.09 0.01 0.41 -0.75 4.29 4.05 3k7xA1 GLU 53 HB2 0.10 0.10 0.20 -0.04 2.09 2.45 3k7xA1 GLU 53 HB3 0.12 -0.00 -0.03 -0.04 1.99 2.04 3k7xA1 GLU 53 HG2 0.16 -0.04 0.01 -0.04 2.34 2.43 3k7xA1 GLU 53 HG3 0.11 0.08 0.05 -0.04 2.34 2.54 3k7xA1 VAL 54 H 0.08 0.58 -0.07 -0.55 8.24 8.28 3k7xA1 VAL 54 HA 0.06 0.03 0.50 -0.75 4.13 3.97 3k7xA1 VAL 54 HB 0.03 0.02 0.11 -0.04 2.12 2.24 3k7xA1 VAL 54 HG13 0.04 0.14 0.11 -0.04 0.97 1.22 3k7xA1 VAL 54 HG23 0.04 0.03 -0.03 -0.04 0.95 0.95 3k7xA1 ARG 55 H 0.06 0.59 -0.22 -0.55 8.46 8.34 3k7xA1 ARG 55 HA 0.06 0.03 0.49 -0.75 4.34 4.16 3k7xA1 ARG 55 HB2 0.06 0.13 0.16 -0.04 1.90 2.20 3k7xA1 ARG 55 HB3 0.05 -0.09 -0.01 -0.04 1.80 1.71 3k7xA1 ARG 55 HG2 0.07 0.30 0.03 -0.04 1.67 2.03 3k7xA1 ARG 55 HG3 0.07 -0.04 -0.12 -0.04 1.67 1.53 3k7xA1 ARG 55 HD2 0.05 -0.06 0.01 -0.04 3.22 3.18 3k7xA1 ARG 55 HD3 0.05 0.01 -0.05 -0.04 3.22 3.19 3k7xA1 LEU 56 H 0.06 0.49 -0.21 -0.55 8.37 8.16 3k7xA1 LEU 56 HA 0.11 -0.02 0.46 -0.75 4.35 4.14 3k7xA1 LEU 56 HB2 0.07 0.18 0.17 -0.04 1.64 2.02 3k7xA1 LEU 56 HB3 0.07 -0.04 -0.02 -0.04 1.64 1.61 3k7xA1 LEU 56 HG 0.02 0.23 0.04 -0.04 1.64 1.89 3k7xA1 LEU 56 HD13 0.00 -0.02 -0.16 -0.04 0.93 0.72 3k7xA1 LEU 56 HD23 -0.03 -0.03 -0.03 -0.04 0.89 0.76 3k7xA1 ASP 57 H 0.07 0.49 -0.17 -0.55 8.40 8.24 3k7xA1 ASP 57 HA 0.05 0.02 0.38 -0.75 4.63 4.32 3k7xA1 ASP 57 HB2 0.05 0.19 0.16 -0.04 2.71 3.07 3k7xA1 ASP 57 HB3 0.05 -0.04 0.04 -0.04 2.70 2.71 3k7xA1 ALA 58 H 0.07 0.42 -0.34 -0.55 8.40 8.01 3k7xA1 ALA 58 HA 0.05 0.04 0.39 -0.75 4.34 4.07 3k7xA1 ALA 58 HB3 0.06 0.05 0.10 -0.04 1.41 1.58 3k7xA1 TYR 59 H 0.17 0.44 -0.24 -0.55 8.29 8.11 3k7xA1 TYR 59 HA 0.00 -0.11 0.41 -0.75 4.56 4.10 3k7xA1 TYR 59 HB2 -0.00 -0.05 -0.17 -0.04 3.06 2.80 3k7xA1 TYR 59 HB3 -0.01 0.20 0.14 -0.04 2.98 3.27 3k7xA1 TYR 59 HD2 -0.02 0.05 -0.07 -0.04 7.15 7.07 3k7xA1 TYR 59 HE2 -0.03 0.04 -0.28 -0.04 6.85 6.54 3k7xA1 LEU 60 H 0.02 0.67 -0.12 -0.55 8.37 8.40 3k7xA1 LEU 60 HA -0.31 0.00 0.37 -0.75 4.35 3.65 3k7xA1 LEU 60 HB2 -0.01 0.12 0.11 -0.04 1.64 1.82 3k7xA1 LEU 60 HB3 -0.05 -0.03 0.03 -0.04 1.64 1.54 3k7xA1 LEU 60 HG 0.05 0.18 0.01 -0.04 1.64 1.85 3k7xA1 LEU 60 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 3k7xA1 LEU 60 HD23 -0.07 -0.02 -0.03 -0.04 0.89 0.73 3k7xA1 ARG 61 H -0.03 0.29 -0.49 -0.55 8.46 7.67 3k7xA1 ARG 61 HA -0.01 0.08 0.60 -0.75 4.34 4.26 3k7xA1 ARG 61 HB2 0.03 -0.01 0.06 -0.04 1.90 1.94 3k7xA1 ARG 61 HB3 0.02 0.07 0.20 -0.04 1.80 2.04 3k7xA1 ARG 61 HG2 0.01 -0.02 -0.24 -0.04 1.67 1.38 3k7xA1 ARG 61 HG3 0.02 -0.02 -0.01 -0.04 1.67 1.62 3k7xA1 ARG 61 HD2 0.04 -0.09 -0.00 -0.04 3.22 3.13 3k7xA1 ARG 61 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.18 3k7xA1 THR 62 H -0.04 0.57 0.10 -0.55 8.28 8.36 3k7xA1 THR 62 HA -0.02 0.18 0.75 -0.75 4.39 4.54 3k7xA1 THR 62 HB 0.01 -0.09 0.07 -0.04 4.32 4.28 3k7xA1 THR 62 HG23 0.02 0.04 0.02 -0.04 1.22 1.25 3k7xA1 LYS 63 H -0.27 0.87 0.15 -0.55 8.42 8.62 3k7xA1 LYS 63 HA -0.50 0.08 0.29 -0.75 4.32 3.43 3k7xA1 LYS 63 HB2 -0.06 0.14 0.23 -0.04 1.87 2.15 3k7xA1 LYS 63 HB3 -0.09 -0.09 0.16 -0.04 1.79 1.72 3k7xA1 LYS 63 HG2 -0.11 0.04 -0.77 -0.04 1.46 0.58 3k7xA1 LYS 63 HG3 -0.08 -0.06 -0.12 -0.04 1.46 1.16 3k7xA1 LYS 63 HD2 -0.15 -0.09 -0.01 -0.04 1.69 1.39 3k7xA1 LYS 63 HD3 -0.34 0.04 -0.02 -0.04 1.68 1.31 3k7xA1 LYS 63 HE2 -0.12 -0.10 0.01 -0.04 2.99 2.74 3k7xA1 LYS 63 HE3 -0.14 0.53 -0.04 -0.04 2.99 3.30 3k7xA1 LYS 64 H 0.05 0.04 -0.43 -0.55 8.42 7.53 3k7xA1 LYS 64 HA 0.08 0.14 0.61 -0.75 4.32 4.39 3k7xA1 LYS 64 HB2 0.09 -0.06 0.09 -0.04 1.87 1.94 3k7xA1 LYS 64 HB3 0.06 -0.11 0.03 -0.04 1.79 1.73 3k7xA1 LYS 64 HG2 0.02 0.17 -0.11 -0.04 1.46 1.50 3k7xA1 LYS 64 HG3 0.03 0.01 -0.00 -0.04 1.46 1.45 3k7xA1 LYS 64 HD2 0.02 -0.08 0.02 -0.04 1.69 1.61 3k7xA1 LYS 64 HD3 0.03 0.06 -0.06 -0.04 1.68 1.66 3k7xA1 LYS 64 HE2 0.00 0.16 0.01 -0.04 2.99 3.13 3k7xA1 LYS 64 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 3k7xA1 GLN 65 H 0.08 0.24 0.21 -0.55 8.47 8.46 3k7xA1 GLN 65 HA 0.02 0.12 0.35 -0.75 4.36 4.11 3k7xA1 GLN 65 HB2 0.04 0.09 0.18 -0.04 2.15 2.42 3k7xA1 GLN 65 HB3 0.01 -0.02 0.07 -0.04 2.02 2.05 3k7xA1 GLN 65 HG2 -0.01 0.03 0.02 -0.04 2.40 2.41 3k7xA1 GLN 65 HG3 -0.03 -0.05 -0.02 -0.04 2.39 2.25 3k7xA1 GLN 65 HE21 0.00 0.09 0.02 -0.04 6.97 7.04 3k7xA1 GLN 65 HE22 0.02 0.00 0.04 -0.04 7.69 7.71 3k7xA1 ALA 66 H 0.04 0.11 -0.22 -0.55 8.40 7.77 3k7xA1 ALA 66 HA -0.00 0.07 0.39 -0.75 4.34 4.05 3k7xA1 ALA 66 HB3 0.02 0.03 0.03 -0.04 1.41 1.44 3k7xA1 ASP 67 H 0.08 0.29 -0.34 -0.55 8.40 7.89 3k7xA1 ASP 67 HA 0.04 0.08 0.48 -0.75 4.63 4.47 3k7xA1 ASP 67 HB2 0.23 0.17 0.11 -0.04 2.71 3.18 3k7xA1 ASP 67 HB3 0.15 0.04 -0.07 -0.04 2.70 2.78 3k7xA1 LEU 68 H -0.11 0.33 -0.12 -0.55 8.37 7.93 3k7xA1 LEU 68 HA -0.32 0.07 0.44 -0.75 4.35 3.79 3k7xA1 LEU 68 HB2 -1.77 0.05 0.04 -0.04 1.64 -0.08 3k7xA1 LEU 68 HB3 -0.44 0.10 0.13 -0.04 1.64 1.39 3k7xA1 LEU 68 HG -0.27 -0.07 -0.22 -0.04 1.64 1.04 3k7xA1 LEU 68 HD13 -0.40 -0.02 -0.00 -0.04 0.93 0.48 3k7xA1 LEU 68 HD23 -0.40 0.02 -0.07 -0.04 0.89 0.40 3k7xA1 GLU 69 H -0.09 0.49 -0.21 -0.55 8.60 8.25 3k7xA1 GLU 69 HA -0.06 -0.01 0.39 -0.75 4.29 3.86 3k7xA1 GLU 69 HB2 -0.03 0.16 0.13 -0.04 2.09 2.31 3k7xA1 GLU 69 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.88 3k7xA1 GLU 69 HG2 -0.05 0.27 0.03 -0.04 2.34 2.55 3k7xA1 GLU 69 HG3 -0.02 -0.04 -0.02 -0.04 2.34 2.21 3k7xA1 VAL 70 H -0.02 0.41 -0.26 -0.55 8.24 7.81 3k7xA1 VAL 70 HA -0.02 0.01 0.41 -0.75 4.13 3.78 3k7xA1 VAL 70 HB 0.02 0.16 0.13 -0.04 2.12 2.39 3k7xA1 VAL 70 HG13 0.04 -0.01 -0.07 -0.04 0.97 0.88 3k7xA1 VAL 70 HG23 0.01 0.06 0.06 -0.04 0.95 1.04 3k7xA1 ALA 71 H -0.03 0.38 -0.34 -0.55 8.40 7.86 3k7xA1 ALA 71 HA 0.03 0.04 0.44 -0.75 4.34 4.08 3k7xA1 ALA 71 HB3 -0.03 0.06 0.03 -0.04 1.41 1.42 3k7xA1 GLU 72 H -0.06 0.56 -0.03 -0.55 8.60 8.53 3k7xA1 GLU 72 HA -0.07 0.00 0.44 -0.75 4.29 3.91 3k7xA1 GLU 72 HB2 -0.02 0.09 0.16 -0.04 2.09 2.29 3k7xA1 GLU 72 HB3 0.06 -0.05 -0.06 -0.04 1.99 1.90 3k7xA1 GLU 72 HG2 -0.14 -0.06 0.03 -0.04 2.34 2.13 3k7xA1 GLU 72 HG3 -0.10 0.11 0.01 -0.04 2.34 2.32 3k7xA1 LYS 73 H -0.00 0.72 -0.09 -0.55 8.42 8.49 3k7xA1 LYS 73 HA 0.03 -0.03 0.38 -0.75 4.32 3.94 3k7xA1 LYS 73 HB2 -0.02 0.05 0.11 -0.04 1.87 1.97 3k7xA1 LYS 73 HB3 -0.05 0.12 0.11 -0.04 1.79 1.93 3k7xA1 LYS 73 HG2 -0.14 0.00 -0.14 -0.04 1.46 1.14 3k7xA1 LYS 73 HG3 -0.04 -0.06 0.03 -0.04 1.46 1.35 3k7xA1 LYS 73 HD2 -0.04 -0.02 -0.03 -0.04 1.69 1.55 3k7xA1 LYS 73 HD3 -0.09 0.03 -0.03 -0.04 1.68 1.55 3k7xA1 LYS 73 HE2 -0.16 0.02 -0.04 -0.04 2.99 2.78 3k7xA1 LYS 73 HE3 -0.06 -0.03 -0.02 -0.04 2.99 2.83 3k7xA1 THR 74 H 0.01 0.51 -0.33 -0.55 8.28 7.92 3k7xA1 THR 74 HA -0.08 0.02 0.42 -0.75 4.39 3.99 3k7xA1 THR 74 HB 0.09 0.13 0.16 -0.04 4.32 4.65 3k7xA1 THR 74 HG23 0.19 -0.03 -0.13 -0.04 1.22 1.21 3k7xA1 TYR 75 H 0.17 0.57 -0.09 -0.55 8.29 8.39 3k7xA1 TYR 75 HA 0.08 0.00 0.39 -0.75 4.56 4.28 3k7xA1 TYR 75 HB2 -0.05 0.05 0.11 -0.04 3.06 3.13 3k7xA1 TYR 75 HB3 -0.06 0.11 0.19 -0.04 2.98 3.18 3k7xA1 TYR 75 HD2 0.06 0.03 -0.14 -0.04 7.15 7.06 3k7xA1 TYR 75 HE2 0.21 0.04 -0.07 -0.04 6.85 6.98 3k7xA1 LEU 76 H 0.20 0.65 -0.12 -0.55 8.37 8.55 3k7xA1 LEU 76 HA 0.09 -0.02 0.41 -0.75 4.35 4.07 3k7xA1 LEU 76 HB2 0.10 0.12 0.09 -0.04 1.64 1.92 3k7xA1 LEU 76 HB3 0.09 -0.05 -0.02 -0.04 1.64 1.63 3k7xA1 LEU 76 HG 0.29 0.13 0.02 -0.04 1.64 2.05 3k7xA1 LEU 76 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.94 3k7xA1 LEU 76 HD23 0.32 -0.02 -0.06 -0.04 0.89 1.08 3k7xA1 HIS 77 H 0.11 0.55 -0.23 -0.55 8.41 8.30 3k7xA1 HIS 77 HA -0.03 -0.01 0.40 -0.75 4.63 4.24 3k7xA1 HIS 77 HB2 -0.16 -0.01 0.11 -0.04 3.26 3.16 3k7xA1 HIS 77 HB3 -0.09 0.16 0.22 -0.04 3.20 3.45 3k7xA1 HIS 77 HD2 -0.07 -0.05 0.01 -0.04 6.97 6.82 3k7xA1 HIS 77 HE1 0.27 0.01 -0.01 -0.04 7.75 7.98 3k7xA1 ASN 78 H 0.11 0.52 -0.21 -0.55 8.53 8.40 3k7xA1 ASN 78 HA 0.16 0.03 0.44 -0.75 4.76 4.63 3k7xA1 ASN 78 HB2 0.22 0.10 0.09 -0.04 2.88 3.24 3k7xA1 ASN 78 HB3 0.04 0.08 0.10 -0.04 2.79 2.97 3k7xA1 ASN 78 HD21 -0.16 0.28 0.08 -0.04 7.03 7.19 3k7xA1 ASN 78 HD22 -0.00 -0.01 -0.10 -0.04 7.74 7.59 3k7xA1 LYS 79 H -0.12 0.66 -0.01 -0.55 8.42 8.40 3k7xA1 LYS 79 HA 0.07 0.09 0.30 -0.75 4.32 4.03 3k7xA1 LYS 79 HB2 -0.36 0.04 0.02 -0.04 1.87 1.53 3k7xA1 LYS 79 HB3 -0.07 0.05 0.06 -0.04 1.79 1.79 3k7xA1 LYS 79 HG2 0.03 -0.08 -0.46 -0.04 1.46 0.90 3k7xA1 LYS 79 HG3 0.04 -0.05 -0.36 -0.04 1.46 1.05 3k7xA1 LYS 79 HD2 0.16 -0.02 -0.15 -0.04 1.69 1.64 3k7xA1 LYS 79 HD3 0.14 0.01 -0.14 -0.04 1.68 1.64 3k7xA1 LYS 79 HE2 0.09 0.21 -0.25 -0.04 2.99 3.00 3k7xA1 LYS 79 HE3 0.13 -0.13 -0.16 -0.04 2.99 2.79 3k7xA1 ASN 80 H -0.05 0.66 -0.28 -0.55 8.53 8.32 3k7xA1 ASN 80 HA -0.04 -0.10 0.53 -0.75 4.76 4.39 3k7xA1 ASN 80 HB2 -0.08 0.21 0.14 -0.04 2.88 3.11 3k7xA1 ASN 80 HB3 -0.06 -0.05 0.01 -0.04 2.79 2.64 3k7xA1 ASN 80 HD21 0.03 -0.10 -0.03 -0.04 7.03 6.89 3k7xA1 ASN 80 HD22 0.01 0.18 -0.09 -0.04 7.74 7.81 3k7xA1 ARG 81 H -0.20 0.53 -0.11 -0.55 8.46 8.12 3k7xA1 ARG 81 HA -0.30 0.01 0.50 -0.75 4.34 3.79 3k7xA1 ARG 81 HB2 -0.35 0.10 0.22 -0.04 1.90 1.83 3k7xA1 ARG 81 HB3 -1.24 -0.10 0.05 -0.04 1.80 0.47 3k7xA1 ARG 81 HG2 -0.36 -0.07 0.10 -0.04 1.67 1.29 3k7xA1 ARG 81 HG3 -0.78 0.17 0.09 -0.04 1.67 1.11 3k7xA1 ARG 81 HD2 -0.00 0.18 0.08 -0.04 3.22 3.44 3k7xA1 ARG 81 HD3 -0.12 -0.08 0.02 -0.04 3.22 3.01 3k7xA1 ASN 82 H -0.02 0.37 -0.45 -0.55 8.53 7.89 3k7xA1 ASN 82 HA 0.03 0.05 0.64 -0.75 4.76 4.72 3k7xA1 ASN 82 HB2 0.03 -0.07 0.11 -0.04 2.88 2.90 3k7xA1 ASN 82 HB3 -0.04 0.18 0.18 -0.04 2.79 3.08 3k7xA1 ASN 82 HD21 -0.13 0.31 -0.13 -0.04 7.03 7.04 3k7xA1 ASN 82 HD22 -0.12 0.53 0.12 -0.04 7.74 8.23 3k7xA1 GLY 83 H -0.09 0.42 -0.66 -0.55 8.43 7.56 3k7xA1 GLY 83 HA2 -0.05 -0.00 0.29 -0.51 4.01 3.74 3k7xA1 GLY 83 HA3 -0.04 0.09 0.62 -0.51 4.01 4.17 3k7xA1 GLY 84 H -0.03 0.41 0.12 -0.55 8.43 8.39 3k7xA1 GLY 84 HA2 0.01 -0.08 0.10 -0.51 4.01 3.53 3k7xA1 GLY 84 HA3 0.00 0.04 0.46 -0.51 4.01 4.00 3k7xA1 THR 85 H 0.01 0.44 -0.21 -0.55 8.28 7.97 3k7xA1 THR 85 HA 0.07 0.05 0.62 -0.75 4.39 4.38 3k7xA1 THR 85 HB 0.03 0.10 -0.20 -0.04 4.32 4.21 3k7xA1 THR 85 HG23 0.00 0.06 -0.20 -0.04 1.22 1.04 3k7xA1 LEU 86 H 0.11 0.10 0.10 -0.55 8.37 8.14 3k7xA1 LEU 86 HA 0.24 0.17 0.63 -0.75 4.35 4.64 3k7xA1 LEU 86 HB2 0.18 -0.00 -0.00 -0.04 1.64 1.77 3k7xA1 LEU 86 HB3 0.25 -0.00 -0.05 -0.04 1.64 1.79 3k7xA1 LEU 86 HG 0.21 -0.03 -0.07 -0.04 1.64 1.70 3k7xA1 LEU 86 HD13 0.29 0.00 -0.22 -0.04 0.93 0.96 3k7xA1 LEU 86 HD23 0.14 0.02 -0.12 -0.04 0.89 0.88 3k7xA1 ILE 87 H 0.08 -0.05 -0.11 -0.55 8.25 7.62 3k7xA1 ILE 87 HA 0.09 0.03 0.33 -0.75 4.18 3.86 3k7xA1 ILE 87 HB 0.02 0.02 -0.01 -0.04 1.89 1.88 3k7xA1 ILE 87 HG12 0.06 -0.12 0.04 -0.04 1.49 1.43 3k7xA1 ILE 87 HG13 0.04 0.03 -0.01 -0.04 1.21 1.22 3k7xA1 ILE 87 HG23 -0.00 0.01 -0.13 -0.04 0.93 0.76 3k7xA1 ILE 87 HD13 0.07 0.01 -0.06 -0.04 0.88 0.86 3k7xA1 HIS 88 H 0.07 0.27 0.19 -0.55 8.41 8.40 3k7xA1 HIS 88 HA -0.07 0.13 0.66 -0.75 4.63 4.60 3k7xA1 HIS 88 HB2 -0.02 0.26 -0.30 -0.04 3.26 3.16 3k7xA1 HIS 88 HB3 0.12 0.07 -0.03 -0.04 3.20 3.32 3k7xA1 HIS 88 HD2 -0.44 0.17 0.08 -0.04 6.97 6.72 3k7xA1 HIS 88 HE1 -0.07 -0.02 0.10 -0.04 7.75 7.72 3k7xA1 ASP 89 H -0.57 0.15 0.17 -0.55 8.40 7.60 3k7xA1 ASP 89 HA -0.27 0.15 0.57 -0.75 4.63 4.33 3k7xA1 ASP 89 HB2 -0.22 0.01 0.18 -0.04 2.71 2.64 3k7xA1 ASP 89 HB3 -0.31 -0.03 0.02 -0.04 2.70 2.35 3k7xA1 PHE 90 H 0.82 0.06 -0.06 -0.55 8.34 8.61 3k7xA1 PHE 90 HA -0.35 0.19 0.96 -0.75 4.62 4.67 3k7xA1 PHE 90 HB2 0.06 -0.04 0.19 -0.04 3.15 3.32 3k7xA1 PHE 90 HB3 -0.15 -0.08 0.07 -0.04 3.06 2.86 3k7xA1 PHE 90 HD2 -0.37 -0.05 0.01 -0.04 7.28 6.83 3k7xA1 PHE 90 HE2 -0.50 0.02 -0.01 -0.04 7.38 6.85 3k7xA1 PHE 90 HZ -0.20 0.03 -0.01 -0.04 7.32 7.10 3k7xA1 TYR 91 H -0.13 0.51 0.32 -0.55 8.29 8.44 3k7xA1 TYR 91 HA 0.01 0.07 0.33 -0.75 4.56 4.21 3k7xA1 TYR 91 HB2 -0.04 0.20 0.15 -0.04 3.06 3.33 3k7xA1 TYR 91 HB3 -0.09 -0.03 0.01 -0.04 2.98 2.83 3k7xA1 TYR 91 HD2 -0.09 0.01 -0.34 -0.04 7.15 6.69 3k7xA1 TYR 91 HE2 -0.08 0.02 -0.26 -0.04 6.85 6.49 3k7xA1 ASP 92 H 0.20 0.09 -0.11 -0.55 8.40 8.03 3k7xA1 ASP 92 HA -0.14 0.21 0.53 -0.75 4.63 4.48 3k7xA1 ASP 92 HB2 0.10 0.03 -0.09 -0.04 2.71 2.71 3k7xA1 ASP 92 HB3 0.12 -0.02 -0.29 -0.04 2.70 2.48 3k7xA1 ASP 93 H 0.19 0.03 -0.24 -0.55 8.40 7.82 3k7xA1 ASP 93 HA 0.46 -0.04 0.23 -0.75 4.63 4.53 3k7xA1 ASP 93 HB2 -0.01 0.21 0.12 -0.04 2.71 2.99 3k7xA1 ASP 93 HB3 0.00 -0.02 0.08 -0.04 2.70 2.72 3k7xA1 LEU 95 HA -0.04 -0.13 0.34 -0.75 4.35 3.78 3k7xA1 LEU 95 HB2 -0.40 0.12 0.19 -0.04 1.64 1.51 3k7xA1 LEU 95 HB3 -0.36 -0.10 -0.07 -0.04 1.64 1.07 3k7xA1 LEU 95 HG -0.07 0.15 0.12 -0.04 1.64 1.80 3k7xA1 LEU 95 HD13 -0.17 -0.06 0.01 -0.04 0.93 0.67 3k7xA1 LEU 95 HD23 -0.07 -0.03 -0.06 -0.04 0.89 0.69 3k7xA1 TRP 96 H -0.09 0.67 -0.52 -0.55 7.97 7.48 3k7xA1 TRP 96 HA 0.08 0.00 0.43 -0.75 4.62 4.39 3k7xA1 TRP 96 HB2 0.15 0.09 0.17 -0.04 3.23 3.60 3k7xA1 TRP 96 HB3 0.06 -0.06 0.06 -0.04 3.23 3.24 3k7xA1 TRP 96 HD1 0.19 -0.13 -0.21 -0.04 7.22 7.03 3k7xA1 TRP 96 HE1 -0.12 -0.12 -0.13 -0.04 10.20 9.79 3k7xA1 TRP 96 HE3 0.25 -0.02 0.03 -0.04 7.59 7.81 3k7xA1 TRP 96 HZ2 0.13 -0.09 -0.01 -0.04 7.44 7.43 3k7xA1 TRP 96 HZ3 0.40 -0.01 -0.02 -0.04 7.13 7.47 3k7xA1 TRP 96 HH2 0.20 -0.03 -0.03 -0.04 7.19 7.29 3k7xA1 ASN 97 H 0.14 0.50 0.20 -0.55 8.53 8.83 3k7xA1 ASN 97 HA 0.13 0.04 0.57 -0.75 4.76 4.75 3k7xA1 ASN 97 HB2 0.04 0.15 0.04 -0.04 2.88 3.07 3k7xA1 ASN 97 HB3 0.12 -0.04 -0.04 -0.04 2.79 2.79 3k7xA1 ASN 97 HD21 -1.38 0.01 -0.15 -0.04 7.03 5.47 3k7xA1 ASN 97 HD22 -0.65 0.45 0.07 -0.04 7.74 7.57 3k7xA1 ALA 98 H 0.13 0.24 -0.27 -0.55 8.40 7.95 3k7xA1 ALA 98 HA 0.21 0.01 0.42 -0.75 4.34 4.23 3k7xA1 ALA 98 HB3 0.10 0.06 0.12 -0.04 1.41 1.65 3k7xA1 LEU 99 H 0.14 0.59 -0.16 -0.55 8.37 8.39 3k7xA1 LEU 99 HA 0.33 0.03 0.46 -0.75 4.35 4.42 3k7xA1 LEU 99 HB2 0.25 0.14 0.15 -0.04 1.64 2.15 3k7xA1 LEU 99 HB3 0.30 -0.04 0.01 -0.04 1.64 1.87 3k7xA1 LEU 99 HG -0.08 0.26 0.05 -0.04 1.64 1.84 3k7xA1 LEU 99 HD13 0.04 -0.02 -0.01 -0.04 0.93 0.89 3k7xA1 LEU 99 HD23 -0.62 -0.01 -0.03 -0.04 0.89 0.20 3k7xA1 ALA 100 H 0.23 0.44 -0.15 -0.55 8.40 8.38 3k7xA1 ALA 100 HA 0.20 0.02 0.40 -0.75 4.34 4.20 3k7xA1 ALA 100 HB3 0.19 0.05 0.15 -0.04 1.41 1.75 3k7xA1 ALA 101 H 0.25 0.52 -0.28 -0.55 8.40 8.34 3k7xA1 ALA 101 HA -0.26 -0.03 0.38 -0.75 4.34 3.67 3k7xA1 ALA 101 HB3 0.26 0.06 0.13 -0.04 1.41 1.83 3k7xA1 TYR 102 H 0.36 0.54 -0.20 -0.55 8.29 8.44 3k7xA1 TYR 102 HA 0.16 -0.02 0.37 -0.75 4.56 4.31 3k7xA1 TYR 102 HB2 0.26 0.03 0.12 -0.04 3.06 3.44 3k7xA1 TYR 102 HB3 0.45 0.13 0.13 -0.04 2.98 3.65 3k7xA1 TYR 102 HD2 -0.18 0.00 -0.12 -0.04 7.15 6.81 3k7xA1 TYR 102 HE2 -0.23 0.01 -0.08 -0.04 6.85 6.51 3k7xA1 ARG 103 H 0.25 0.53 -0.15 -0.55 8.46 8.54 3k7xA1 ARG 103 HA -0.14 0.04 0.42 -0.75 4.34 3.91 3k7xA1 ARG 103 HB2 0.09 0.10 0.11 -0.04 1.90 2.16 3k7xA1 ARG 103 HB3 0.01 -0.02 0.01 -0.04 1.80 1.75 3k7xA1 ARG 103 HG2 -0.14 -0.03 -0.00 -0.04 1.67 1.46 3k7xA1 ARG 103 HG3 0.33 0.19 0.06 -0.04 1.67 2.20 3k7xA1 ARG 103 HD2 0.33 -0.02 -0.05 -0.04 3.22 3.44 3k7xA1 ARG 103 HD3 0.23 -0.02 -0.04 -0.04 3.22 3.34 3k7xA1 LEU 104 H -0.08 0.52 -0.29 -0.55 8.37 7.97 3k7xA1 LEU 104 HA -0.18 0.03 0.42 -0.75 4.35 3.87 3k7xA1 LEU 104 HB2 -0.46 0.18 0.17 -0.04 1.64 1.50 3k7xA1 LEU 104 HB3 -0.86 -0.09 -0.05 -0.04 1.64 0.60 3k7xA1 LEU 104 HG -0.29 0.06 -0.05 -0.04 1.64 1.32 3k7xA1 LEU 104 HD13 -1.19 -0.01 -0.04 -0.04 0.93 -0.36 3k7xA1 LEU 104 HD23 -0.29 -0.03 -0.04 -0.04 0.89 0.49 3k7xA1 TYR 105 H 0.01 0.55 -0.20 -0.55 8.29 8.10 3k7xA1 TYR 105 HA 0.08 -0.07 0.42 -0.75 4.56 4.24 3k7xA1 TYR 105 HB2 0.01 -0.15 -0.06 -0.04 3.06 2.82 3k7xA1 TYR 105 HB3 -0.28 0.25 0.15 -0.04 2.98 3.05 3k7xA1 TYR 105 HD2 -0.28 0.15 -0.17 -0.04 7.15 6.81 3k7xA1 TYR 105 HE2 -0.08 0.03 -0.19 -0.04 6.85 6.57 3k7xA1 LYS 106 H -0.30 0.53 -0.18 -0.55 8.42 7.92 3k7xA1 LYS 106 HA -0.53 0.04 0.42 -0.75 4.32 3.49 3k7xA1 LYS 106 HB2 -0.27 0.10 0.09 -0.04 1.87 1.75 3k7xA1 LYS 106 HB3 -0.25 -0.01 0.04 -0.04 1.79 1.52 3k7xA1 LYS 106 HG2 -0.86 0.17 0.05 -0.04 1.46 0.78 3k7xA1 LYS 106 HG3 -0.43 -0.03 -0.03 -0.04 1.46 0.93 3k7xA1 LYS 106 HD2 -0.42 -0.03 -0.06 -0.04 1.69 1.14 3k7xA1 LYS 106 HD3 -0.28 -0.02 -0.04 -0.04 1.68 1.30 3k7xA1 LYS 106 HE2 -0.12 0.00 -0.02 -0.04 2.99 2.81 3k7xA1 LYS 106 HE3 -0.20 0.02 0.02 -0.04 2.99 2.79 3k7xA1 ALA 107 H -0.15 0.27 -0.40 -0.55 8.40 7.56 3k7xA1 ALA 107 HA -0.02 0.14 0.66 -0.75 4.34 4.36 3k7xA1 ALA 107 HB3 -0.02 -0.01 0.07 -0.04 1.41 1.41 3k7xA1 THR 108 H -0.10 0.52 0.06 -0.55 8.28 8.22 3k7xA1 THR 108 HA -0.07 0.19 0.86 -0.75 4.39 4.62 3k7xA1 THR 108 HB 0.04 -0.06 0.08 -0.04 4.32 4.34 3k7xA1 THR 108 HG23 -0.06 0.02 -0.01 -0.04 1.22 1.13 3k7xA1 GLY 109 H -0.22 0.60 0.07 -0.55 8.43 8.34 3k7xA1 GLY 109 HA2 -0.42 0.12 0.31 -0.51 4.01 3.51 3k7xA1 GLY 109 HA3 -0.14 0.09 0.49 -0.51 4.01 3.94 3k7xA1 LYS 110 H 0.04 0.04 -0.36 -0.55 8.42 7.60 3k7xA1 LYS 110 HA -0.02 0.11 0.57 -0.75 4.32 4.23 3k7xA1 LYS 110 HB2 -0.22 -0.04 0.09 -0.04 1.87 1.66 3k7xA1 LYS 110 HB3 -0.26 -0.09 0.03 -0.04 1.79 1.43 3k7xA1 LYS 110 HG2 -0.04 0.06 -0.04 -0.04 1.46 1.40 3k7xA1 LYS 110 HG3 0.02 0.09 -0.10 -0.04 1.46 1.43 3k7xA1 LYS 110 HD2 0.09 -0.03 -0.02 -0.04 1.69 1.69 3k7xA1 LYS 110 HD3 -0.07 -0.03 -0.01 -0.04 1.68 1.52 3k7xA1 LYS 110 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.96 3k7xA1 LYS 110 HE3 0.04 0.05 -0.00 -0.04 2.99 3.03 3k7xA1 SER 111 H 0.01 0.24 0.21 -0.55 8.46 8.37 3k7xA1 SER 111 HA 0.05 0.10 0.35 -0.75 4.49 4.24 3k7xA1 SER 111 HB2 -0.03 0.01 0.07 -0.04 3.95 3.96 3k7xA1 SER 111 HB3 0.03 0.12 0.14 -0.04 3.93 4.18 3k7xA1 ILE 112 H -0.18 0.12 -0.25 -0.55 8.25 7.39 3k7xA1 ILE 112 HA -0.07 0.09 0.39 -0.75 4.18 3.84 3k7xA1 ILE 112 HB -0.14 0.02 0.06 -0.04 1.89 1.80 3k7xA1 ILE 112 HG12 -0.02 0.05 -0.04 -0.04 1.49 1.44 3k7xA1 ILE 112 HG13 0.02 -0.01 -0.15 -0.04 1.21 1.03 3k7xA1 ILE 112 HG23 -0.63 0.01 -0.10 -0.04 0.93 0.16 3k7xA1 ILE 112 HD13 0.01 0.00 0.03 -0.04 0.88 0.89 3k7xA1 TYR 113 H -0.30 0.33 -0.27 -0.55 8.29 7.49 3k7xA1 TYR 113 HA 0.00 0.06 0.46 -0.75 4.56 4.33 3k7xA1 TYR 113 HB2 0.06 0.09 0.06 -0.04 3.06 3.23 3k7xA1 TYR 113 HB3 -0.10 0.22 0.09 -0.04 2.98 3.15 3k7xA1 TYR 113 HD2 -0.10 0.02 -0.12 -0.04 7.15 6.91 3k7xA1 TYR 113 HE2 0.02 0.02 -0.06 -0.04 6.85 6.79 3k7xA1 LEU 114 H -0.12 0.23 -0.17 -0.55 8.37 7.77 3k7xA1 LEU 114 HA -0.17 0.07 0.42 -0.75 4.35 3.91 3k7xA1 LEU 114 HB2 -1.93 0.04 0.04 -0.04 1.64 -0.25 3k7xA1 LEU 114 HB3 -0.54 0.09 0.12 -0.04 1.64 1.27 3k7xA1 LEU 114 HG -0.23 -0.03 -0.25 -0.04 1.64 1.08 3k7xA1 LEU 114 HD13 -0.19 -0.01 0.01 -0.04 0.93 0.71 3k7xA1 LEU 114 HD23 -0.41 0.02 -0.05 -0.04 0.89 0.40 3k7xA1 GLU 115 H -0.07 0.53 -0.16 -0.55 8.60 8.35 3k7xA1 GLU 115 HA -0.00 0.03 0.41 -0.75 4.29 3.98 3k7xA1 GLU 115 HB2 0.01 0.09 0.11 -0.04 2.09 2.26 3k7xA1 GLU 115 HB3 0.02 -0.03 0.03 -0.04 1.99 1.97 3k7xA1 GLU 115 HG2 -0.03 -0.03 -0.00 -0.04 2.34 2.23 3k7xA1 GLU 115 HG3 -0.06 0.42 0.05 -0.04 2.34 2.71 3k7xA1 ASP 116 H 0.10 0.48 -0.26 -0.55 8.40 8.17 3k7xA1 ASP 116 HA 0.14 -0.00 0.41 -0.75 4.63 4.42 3k7xA1 ASP 116 HB2 0.27 0.12 0.19 -0.04 2.71 3.25 3k7xA1 ASP 116 HB3 0.30 -0.04 -0.05 -0.04 2.70 2.86 3k7xA1 ALA 117 H 0.14 0.57 -0.15 -0.55 8.40 8.41 3k7xA1 ALA 117 HA 0.17 -0.04 0.45 -0.75 4.34 4.16 3k7xA1 ALA 117 HB3 0.18 0.02 0.11 -0.04 1.41 1.68 3k7xA1 GLN 118 H 0.06 0.61 -0.20 -0.55 8.47 8.39 3k7xA1 GLN 118 HA 0.09 0.01 0.43 -0.75 4.36 4.13 3k7xA1 GLN 118 HB2 -0.01 0.14 0.11 -0.04 2.15 2.36 3k7xA1 GLN 118 HB3 0.06 0.06 0.09 -0.04 2.02 2.18 3k7xA1 GLN 118 HG2 0.01 -0.02 0.03 -0.04 2.40 2.38 3k7xA1 GLN 118 HG3 0.04 -0.00 -0.02 -0.04 2.39 2.37 3k7xA1 GLN 118 HE21 0.38 -0.02 -0.02 -0.04 6.97 7.27 3k7xA1 GLN 118 HE22 0.17 0.01 -0.00 -0.04 7.69 7.83 3k7xA1 LEU 119 H 0.12 0.63 -0.16 -0.55 8.37 8.42 3k7xA1 LEU 119 HA 0.13 -0.00 0.43 -0.75 4.35 4.15 3k7xA1 LEU 119 HB2 0.09 0.02 0.11 -0.04 1.64 1.82 3k7xA1 LEU 119 HB3 0.11 0.14 0.19 -0.04 1.64 2.05 3k7xA1 LEU 119 HG 0.09 -0.05 -0.03 -0.04 1.64 1.60 3k7xA1 LEU 119 HD13 0.07 -0.00 -0.00 -0.04 0.93 0.95 3k7xA1 LEU 119 HD23 0.10 -0.01 -0.11 -0.04 0.89 0.83 3k7xA1 VAL 120 H 0.15 0.48 -0.23 -0.55 8.24 8.09 3k7xA1 VAL 120 HA 0.11 0.02 0.42 -0.75 4.13 3.93 3k7xA1 VAL 120 HB 0.14 0.13 0.16 -0.04 2.12 2.51 3k7xA1 VAL 120 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.89 3k7xA1 VAL 120 HG23 0.15 0.02 -0.06 -0.04 0.95 1.01 3k7xA1 TRP 121 H 0.28 0.47 -0.10 -0.55 7.97 8.07 3k7xA1 TRP 121 HA -0.03 0.02 0.39 -0.75 4.62 4.24 3k7xA1 TRP 121 HB2 -0.09 0.05 0.10 -0.04 3.23 3.26 3k7xA1 TRP 121 HB3 0.04 0.13 0.16 -0.04 3.23 3.51 3k7xA1 TRP 121 HD1 -0.61 0.01 -0.07 -0.04 7.22 6.50 3k7xA1 TRP 121 HE1 -0.32 0.03 -0.01 -0.04 10.20 9.86 3k7xA1 TRP 121 HE3 0.06 0.08 -0.24 -0.04 7.59 7.45 3k7xA1 TRP 121 HZ2 0.18 0.08 -0.11 -0.04 7.44 7.55 3k7xA1 TRP 121 HZ3 -0.10 -0.01 -0.08 -0.04 7.13 6.90 3k7xA1 TRP 121 HH2 -0.08 -0.03 -0.13 -0.04 7.19 6.91 3k7xA1 GLN 122 H 0.37 0.58 -0.19 -0.55 8.47 8.67 3k7xA1 GLN 122 HA 0.00 -0.00 0.40 -0.75 4.36 4.00 3k7xA1 GLN 122 HB2 0.33 0.10 0.11 -0.04 2.15 2.64 3k7xA1 GLN 122 HB3 0.14 0.09 0.09 -0.04 2.02 2.30 3k7xA1 GLN 122 HG2 0.13 -0.02 -0.03 -0.04 2.40 2.44 3k7xA1 GLN 122 HG3 0.07 -0.02 -0.07 -0.04 2.39 2.32 3k7xA1 GLN 122 HE21 0.14 -0.01 -0.02 -0.04 6.97 7.04 3k7xA1 GLN 122 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 3k7xA1 ASP 123 H 0.05 0.54 -0.19 -0.55 8.40 8.26 3k7xA1 ASP 123 HA 0.01 0.00 0.43 -0.75 4.63 4.32 3k7xA1 ASP 123 HB2 0.06 0.02 0.12 -0.04 2.71 2.87 3k7xA1 ASP 123 HB3 0.07 0.12 0.16 -0.04 2.70 3.01 3k7xA1 LEU 124 H -0.14 0.52 -0.20 -0.55 8.37 8.00 3k7xA1 LEU 124 HA -0.25 -0.00 0.50 -0.75 4.35 3.85 3k7xA1 LEU 124 HB2 -0.39 0.16 0.19 -0.04 1.64 1.56 3k7xA1 LEU 124 HB3 -1.11 -0.04 -0.03 -0.04 1.64 0.41 3k7xA1 LEU 124 HG -0.06 -0.06 0.02 -0.04 1.64 1.51 3k7xA1 LEU 124 HD13 -0.02 0.09 0.02 -0.04 0.93 0.97 3k7xA1 LEU 124 HD23 -0.62 -0.02 -0.03 -0.04 0.89 0.18 3k7xA1 VAL 125 H -0.63 0.51 -0.07 -0.55 8.24 7.50 3k7xA1 VAL 125 HA -0.88 0.00 0.35 -0.75 4.13 2.85 3k7xA1 VAL 125 HB -0.80 0.06 0.15 -0.04 2.12 1.48 3k7xA1 VAL 125 HG13 -0.61 -0.02 -0.12 -0.04 0.97 0.17 3k7xA1 VAL 125 HG23 -2.40 0.02 0.01 -0.04 0.95 -1.46 3k7xA1 ASP 126 H -0.21 0.55 -0.19 -0.55 8.40 8.01 3k7xA1 ASP 126 HA -0.07 0.06 0.54 -0.75 4.63 4.40 3k7xA1 ASP 126 HB2 -0.03 0.03 0.10 -0.04 2.71 2.77 3k7xA1 ASP 126 HB3 -0.01 -0.07 0.04 -0.04 2.70 2.62 3k7xA1 THR 127 H -0.07 0.34 -0.13 -0.55 8.28 7.87 3k7xA1 THR 127 HA 0.00 0.26 1.17 -0.75 4.39 5.07 3k7xA1 THR 127 HB 0.07 -0.05 0.08 -0.04 4.32 4.38 3k7xA1 THR 127 HG23 0.03 -0.01 -0.17 -0.04 1.22 1.02 3k7xA1 GLY 128 H -0.15 0.50 0.23 -0.55 8.43 8.46 3k7xA1 GLY 128 HA2 -0.37 0.11 0.59 -0.51 4.01 3.83 3k7xA1 GLY 128 HA3 -0.66 -0.06 0.38 -0.51 4.01 3.16 3k7xA1 TRP 129 H 0.03 0.22 -0.13 -0.55 7.97 7.54 3k7xA1 TRP 129 HA -0.50 0.27 0.87 -0.75 4.62 4.51 3k7xA1 TRP 129 HB2 -1.09 -0.07 -0.11 -0.04 3.23 1.92 3k7xA1 TRP 129 HB3 -0.26 0.06 0.01 -0.04 3.23 3.00 3k7xA1 TRP 129 HD1 -0.14 -0.05 -0.48 -0.04 7.22 6.51 3k7xA1 TRP 129 HE1 -0.20 -0.01 -0.18 -0.04 10.20 9.77 3k7xA1 TRP 129 HE3 -2.89 0.01 -0.21 -0.04 7.59 4.45 3k7xA1 TRP 129 HZ2 -0.22 0.12 0.01 -0.04 7.44 7.31 3k7xA1 TRP 129 HZ3 -0.44 -0.02 -0.01 -0.04 7.13 6.62 3k7xA1 TRP 129 HH2 -0.13 0.14 -0.09 -0.04 7.19 7.08 3k7xA1 ASN 130 H -0.87 0.53 0.17 -0.55 8.53 7.81 3k7xA1 ASN 130 HA 0.00 0.09 0.42 -0.75 4.76 4.51 3k7xA1 ASN 130 HB2 -0.08 -0.14 0.10 -0.04 2.88 2.72 3k7xA1 ASN 130 HB3 -0.08 0.17 -0.12 -0.04 2.79 2.73 3k7xA1 ASN 130 HD21 -0.13 0.05 -0.14 -0.04 7.03 6.77 3k7xA1 ASN 130 HD22 -0.10 0.06 -0.24 -0.04 7.74 7.41 3k7xA1 ASP 131 H -0.07 0.12 0.04 -0.55 8.40 7.94 3k7xA1 ASP 131 HA -0.22 0.21 0.42 -0.75 4.63 4.28 3k7xA1 ASP 131 HB2 0.01 -0.04 0.00 -0.04 2.71 2.64 3k7xA1 ASP 131 HB3 -0.02 -0.02 -0.02 -0.04 2.70 2.60 3k7xA1 ILE 132 H -0.17 0.02 -0.47 -0.55 8.25 7.08 3k7xA1 ILE 132 HA -0.04 0.06 0.32 -0.75 4.18 3.77 3k7xA1 ILE 132 HB -0.09 0.07 0.04 -0.04 1.89 1.87 3k7xA1 ILE 132 HG12 -0.01 -0.01 0.02 -0.04 1.49 1.45 3k7xA1 ILE 132 HG13 -0.05 -0.12 -0.02 -0.04 1.21 0.99 3k7xA1 ILE 132 HG23 0.05 0.00 0.11 -0.04 0.93 1.05 3k7xA1 ILE 132 HD13 0.04 0.01 0.03 -0.04 0.88 0.93 3k7xA1 GLY 134 HA2 0.06 -0.07 0.24 -0.51 4.01 3.73 3k7xA1 GLY 134 HA3 0.17 -0.10 0.27 -0.51 4.01 3.84 3k7xA1 GLY 135 H -0.29 0.48 -0.37 -0.55 8.43 7.71 3k7xA1 GLY 135 HA2 -1.00 0.13 0.30 -0.51 4.01 2.94 3k7xA1 GLY 135 HA3 -0.67 0.05 0.89 -0.51 4.01 3.77 3k7xA1 GLY 136 H -4.12 0.02 0.07 -0.55 8.43 3.86 3k7xA1 GLY 136 HA2 -1.84 -0.09 0.36 -0.51 4.01 1.93 3k7xA1 GLY 136 HA3 -2.96 0.16 0.58 -0.51 4.01 1.28 3k7xA1 PHE 137 H -0.49 0.01 0.12 -0.55 8.34 7.42 3k7xA1 PHE 137 HA -0.46 0.28 0.56 -0.75 4.62 4.24 3k7xA1 PHE 137 HB2 -0.30 -0.13 0.00 -0.04 3.15 2.68 3k7xA1 PHE 137 HB3 -0.43 0.10 -0.04 -0.04 3.06 2.65 3k7xA1 PHE 137 HD2 -0.33 -0.03 -0.15 -0.04 7.28 6.73 3k7xA1 PHE 137 HE2 -0.80 0.07 -0.23 -0.04 7.38 6.39 3k7xA1 PHE 137 HZ -1.61 0.01 -0.11 -0.04 7.32 5.56 3k7xA1 ALA 138 H -0.28 0.58 0.27 -0.55 8.40 8.42 3k7xA1 ALA 138 HA -0.16 0.23 0.56 -0.75 4.34 4.21 3k7xA1 ALA 138 HB3 -0.10 0.03 0.01 -0.04 1.41 1.30 3k7xA1 TRP 139 H 0.07 0.55 0.39 -0.55 7.97 8.43 3k7xA1 TRP 139 HA -0.09 -0.03 0.54 -0.75 4.62 4.29 3k7xA1 TRP 139 HB2 -0.59 0.02 0.13 -0.04 3.23 2.75 3k7xA1 TRP 139 HB3 -0.11 0.06 0.24 -0.04 3.23 3.37 3k7xA1 TRP 139 HD1 0.01 -0.02 0.07 -0.04 7.22 7.24 3k7xA1 TRP 139 HE1 0.22 -0.06 -0.03 -0.04 10.20 10.30 3k7xA1 TRP 139 HE3 0.35 0.10 0.01 -0.04 7.59 8.01 3k7xA1 TRP 139 HZ2 0.35 -0.05 -0.03 -0.04 7.44 7.68 3k7xA1 TRP 139 HZ3 0.25 0.04 -0.02 -0.04 7.13 7.35 3k7xA1 TRP 139 HH2 0.35 -0.01 -0.02 -0.04 7.19 7.47 3k7xA1 ARG 140 H 0.00 0.38 0.20 -0.55 8.46 8.49 3k7xA1 ARG 140 HA -0.43 0.13 0.92 -0.75 4.34 4.21 3k7xA1 ARG 140 HB2 -1.02 0.06 0.07 -0.04 1.90 0.97 3k7xA1 ARG 140 HB3 -1.62 -0.07 -0.11 -0.04 1.80 -0.04 3k7xA1 ARG 140 HG2 -0.41 -0.02 0.02 -0.04 1.67 1.22 3k7xA1 ARG 140 HG3 -0.43 -0.04 -0.15 -0.04 1.67 1.00 3k7xA1 ARG 140 HD2 -1.09 0.01 -0.06 -0.04 3.22 2.03 3k7xA1 ARG 140 HD3 -2.06 -0.05 -0.07 -0.04 3.22 1.00 3k7xA1 ARG 141 H -0.44 0.51 0.31 -0.55 8.46 8.28 3k7xA1 ARG 141 HA 0.00 0.13 0.41 -0.75 4.34 4.12 3k7xA1 ARG 141 HB2 -0.22 -0.05 0.18 -0.04 1.90 1.78 3k7xA1 ARG 141 HB3 -0.10 0.01 0.06 -0.04 1.80 1.72 3k7xA1 ARG 141 HG2 -0.13 0.04 0.04 -0.04 1.67 1.58 3k7xA1 ARG 141 HG3 -0.56 0.09 0.17 -0.04 1.67 1.34 3k7xA1 ARG 141 HD2 -0.18 -0.07 0.03 -0.04 3.22 2.95 3k7xA1 ARG 141 HD3 -0.11 -0.00 -0.00 -0.04 3.22 3.07 3k7xA1 PRO 142 HA -0.05 0.16 0.60 -0.51 4.44 4.65 3k7xA1 PRO 142 HB2 -0.09 0.01 -0.01 -0.04 2.28 2.15 3k7xA1 PRO 142 HB3 -0.05 0.03 0.12 -0.04 2.02 2.07 3k7xA1 PRO 142 HG2 -0.18 0.00 0.02 -0.04 2.03 1.84 3k7xA1 PRO 142 HG3 -0.13 0.04 0.01 -0.04 2.03 1.92 3k7xA1 PRO 142 HD2 -0.36 0.05 -0.08 -0.04 3.68 3.25 3k7xA1 PRO 142 HD3 -0.30 0.04 0.14 -0.04 3.65 3.49 3k7xA1 GLN 143 H -0.12 0.42 -0.52 -0.55 8.47 7.70 3k7xA1 GLN 143 HA -0.19 0.21 0.66 -0.75 4.36 4.28 3k7xA1 GLN 143 HB2 -0.04 -0.03 -0.26 -0.04 2.15 1.79 3k7xA1 GLN 143 HB3 -0.01 -0.11 0.11 -0.04 2.02 1.98 3k7xA1 GLN 143 HG2 -0.35 -0.08 0.02 -0.04 2.40 1.96 3k7xA1 GLN 143 HG3 -0.61 0.09 0.03 -0.04 2.39 1.85 3k7xA1 GLN 143 HE21 0.14 -0.08 0.05 -0.04 6.97 7.04 3k7xA1 GLN 143 HE22 0.21 0.15 0.09 -0.04 7.69 8.09 3k7xA1 TYR 145 HA -0.03 -0.02 0.27 -0.75 4.56 4.02 3k7xA1 TYR 145 HB2 0.01 -0.04 0.10 -0.04 3.06 3.08 3k7xA1 TYR 145 HB3 -0.00 -0.02 0.12 -0.04 2.98 3.04 3k7xA1 TYR 145 HD2 0.03 0.06 -0.11 -0.04 7.15 7.09 3k7xA1 TYR 145 HE2 0.01 0.10 -0.01 -0.04 6.85 6.90 3k7xA1 TYR 146 H -0.30 0.38 0.08 -0.55 8.29 7.90 3k7xA1 TYR 146 HA 0.01 0.18 0.71 -0.75 4.56 4.70 3k7xA1 TYR 146 HB2 -0.16 0.07 0.00 -0.04 3.06 2.93 3k7xA1 TYR 146 HB3 -0.12 0.05 0.24 -0.04 2.98 3.11 3k7xA1 TYR 146 HD2 0.19 0.19 -0.08 -0.04 7.15 7.40 3k7xA1 TYR 146 HE2 -0.59 -0.07 -0.14 -0.04 6.85 6.02 3k7xA1 LYS 147 H 0.15 0.44 0.26 -0.55 8.42 8.72 3k7xA1 LYS 147 HA -0.20 0.26 0.92 -0.75 4.32 4.54 3k7xA1 LYS 147 HB2 0.25 -0.11 0.10 -0.04 1.87 2.07 3k7xA1 LYS 147 HB3 -0.40 -0.02 -0.03 -0.04 1.79 1.30 3k7xA1 LYS 147 HG2 -0.05 0.01 -0.10 -0.04 1.46 1.28 3k7xA1 LYS 147 HG3 -0.37 0.37 -0.01 -0.04 1.46 1.40 3k7xA1 LYS 147 HD2 -0.52 0.03 -0.77 -0.04 1.69 0.39 3k7xA1 LYS 147 HD3 -0.21 -0.15 -0.83 -0.04 1.68 0.45 3k7xA1 LYS 147 HE2 -0.30 -0.09 -0.23 -0.04 2.99 2.33 3k7xA1 LYS 147 HE3 -0.18 -0.07 -0.20 -0.04 2.99 2.50 3k7xA1 ASN 148 H -0.17 0.31 0.22 -0.55 8.53 8.35 3k7xA1 ASN 148 HA -0.03 0.17 1.12 -0.75 4.76 5.26 3k7xA1 ASN 148 HB2 -0.19 0.15 0.18 -0.04 2.88 2.98 3k7xA1 ASN 148 HB3 -0.59 -0.04 -0.16 -0.04 2.79 1.95 3k7xA1 ASN 148 HD21 -0.47 -0.03 -0.04 -0.04 7.03 6.45 3k7xA1 ASN 148 HD22 -0.48 0.01 -0.03 -0.04 7.74 7.20 3k7xA1 THR 149 H -0.05 0.83 0.39 -0.55 8.28 8.90 3k7xA1 THR 149 HA 0.01 -0.01 0.48 -0.75 4.39 4.11 3k7xA1 THR 149 HB -0.13 0.01 0.22 -0.04 4.32 4.39 3k7xA1 THR 149 HG23 -0.11 -0.03 -0.07 -0.04 1.22 0.98 3k7xA1 PRO 150 HA -0.14 0.07 0.36 -0.51 4.44 4.21 3k7xA1 PRO 150 HB2 0.07 0.01 -0.05 -0.04 2.28 2.27 3k7xA1 PRO 150 HB3 0.17 0.01 0.04 -0.04 2.02 2.20 3k7xA1 PRO 150 HG2 -0.03 0.02 0.02 -0.04 2.03 2.00 3k7xA1 PRO 150 HG3 -0.54 0.00 0.01 -0.04 2.03 1.46 3k7xA1 PRO 150 HD2 -0.13 0.06 0.02 -0.04 3.68 3.60 3k7xA1 PRO 150 HD3 -0.14 0.18 0.23 -0.04 3.65 3.88 3k7xA1 VAL 151 H -0.04 0.20 -0.62 -0.55 8.24 7.23 3k7xA1 VAL 151 HA -0.12 0.16 0.77 -0.75 4.13 4.20 3k7xA1 VAL 151 HB -0.00 0.10 0.06 -0.04 2.12 2.23 3k7xA1 VAL 151 HG13 -0.07 0.05 -0.23 -0.04 0.97 0.68 3k7xA1 VAL 151 HG23 0.18 -0.01 -0.07 -0.04 0.95 1.02 3k7xA1 ASN 152 H 0.03 0.39 0.18 -0.55 8.53 8.58 3k7xA1 ASN 152 HA 0.20 0.04 0.42 -0.75 4.76 4.67 3k7xA1 ASN 152 HB2 0.21 0.04 0.12 -0.04 2.88 3.21 3k7xA1 ASN 152 HB3 0.33 0.01 0.01 -0.04 2.79 3.09 3k7xA1 ASN 152 HD21 -0.28 0.25 0.14 -0.04 7.03 7.10 3k7xA1 ASN 152 HD22 0.05 0.37 0.12 -0.04 7.74 8.25 3k7xA1 ALA 153 H 0.03 0.48 0.03 -0.55 8.40 8.40 3k7xA1 ALA 153 HA 0.13 0.04 0.41 -0.75 4.34 4.16 3k7xA1 ALA 153 HB3 0.02 0.03 -0.10 -0.04 1.41 1.32 3k7xA1 PRO 154 HA -0.30 -0.01 0.43 -0.51 4.44 4.06 3k7xA1 PRO 154 HB2 -0.48 0.16 0.00 -0.04 2.28 1.92 3k7xA1 PRO 154 HB3 -0.68 -0.04 0.01 -0.04 2.02 1.28 3k7xA1 PRO 154 HG2 -0.90 0.28 0.08 -0.04 2.03 1.46 3k7xA1 PRO 154 HG3 -0.48 -0.08 -0.00 -0.04 2.03 1.42 3k7xA1 PRO 154 HD2 -0.20 0.13 -0.61 -0.04 3.68 2.96 3k7xA1 PRO 154 HD3 -0.15 0.05 -0.01 -0.04 3.65 3.49 3k7xA1 PHE 155 H 0.01 0.46 -0.43 -0.55 8.34 7.83 3k7xA1 PHE 155 HA -0.19 -0.00 0.42 -0.75 4.62 4.10 3k7xA1 PHE 155 HB2 -0.40 0.07 0.07 -0.04 3.15 2.85 3k7xA1 PHE 155 HB3 -0.09 0.15 0.11 -0.04 3.06 3.19 3k7xA1 PHE 155 HD2 -0.24 0.04 -0.17 -0.04 7.28 6.87 3k7xA1 PHE 155 HE2 -0.49 0.07 -0.13 -0.04 7.38 6.80 3k7xA1 PHE 155 HZ -0.88 -0.01 -0.06 -0.04 7.32 6.33 3k7xA1 ILE 156 H 0.14 0.44 -0.19 -0.55 8.25 8.09 3k7xA1 ILE 156 HA 0.15 0.03 0.45 -0.75 4.18 4.05 3k7xA1 ILE 156 HB 0.07 0.13 0.21 -0.04 1.89 2.27 3k7xA1 ILE 156 HG12 0.38 0.03 0.07 -0.04 1.49 1.93 3k7xA1 ILE 156 HG13 0.35 0.26 0.13 -0.04 1.21 1.91 3k7xA1 ILE 156 HG23 0.09 -0.02 -0.01 -0.04 0.93 0.95 3k7xA1 ILE 156 HD13 0.36 -0.03 -0.10 -0.04 0.88 1.06 3k7xA1 ILE 157 H -0.20 0.42 -0.12 -0.55 8.25 7.80 3k7xA1 ILE 157 HA -0.36 0.02 0.38 -0.75 4.18 3.47 3k7xA1 ILE 157 HB -0.52 0.13 0.14 -0.04 1.89 1.61 3k7xA1 ILE 157 HG12 -0.29 -0.02 -0.25 -0.04 1.49 0.90 3k7xA1 ILE 157 HG13 -0.25 0.16 0.04 -0.04 1.21 1.12 3k7xA1 ILE 157 HG23 -1.14 -0.01 -0.14 -0.04 0.93 -0.41 3k7xA1 ILE 157 HD13 -0.50 -0.00 -0.02 -0.04 0.88 0.31 3k7xA1 LEU 158 H -0.43 0.64 -0.10 -0.55 8.37 7.93 3k7xA1 LEU 158 HA -0.51 -0.02 0.38 -0.75 4.35 3.44 3k7xA1 LEU 158 HB2 -0.27 0.02 0.08 -0.04 1.64 1.43 3k7xA1 LEU 158 HB3 -0.30 0.12 0.14 -0.04 1.64 1.56 3k7xA1 LEU 158 HG -0.08 -0.03 -0.22 -0.04 1.64 1.26 3k7xA1 LEU 158 HD13 -0.03 -0.03 -0.05 -0.04 0.93 0.78 3k7xA1 LEU 158 HD23 0.03 0.02 -0.00 -0.04 0.89 0.89 3k7xA1 SER 159 H -0.33 0.66 -0.22 -0.55 8.46 8.02 3k7xA1 SER 159 HA -0.23 -0.06 0.42 -0.75 4.49 3.87 3k7xA1 SER 159 HB2 -0.03 0.11 0.19 -0.04 3.95 4.19 3k7xA1 SER 159 HB3 0.21 0.17 0.08 -0.04 3.93 4.34 3k7xA1 CYS 160 H -0.14 0.61 -0.12 -0.55 8.50 8.30 3k7xA1 CYS 160 HA 0.05 -0.01 0.43 -0.75 4.58 4.30 3k7xA1 CYS 160 HB2 -0.07 0.12 0.17 -0.04 2.97 3.16 3k7xA1 CYS 160 HB3 0.08 -0.02 -0.04 -0.04 2.97 2.96 3k7xA1 TRP 161 H -0.07 0.63 -0.07 -0.55 7.97 7.91 3k7xA1 TRP 161 HA -0.22 0.03 0.39 -0.75 4.62 4.07 3k7xA1 TRP 161 HB2 -0.53 0.11 0.16 -0.04 3.23 2.93 3k7xA1 TRP 161 HB3 -1.22 -0.05 -0.02 -0.04 3.23 1.90 3k7xA1 TRP 161 HD1 -0.08 -0.06 -0.06 -0.04 7.22 6.97 3k7xA1 TRP 161 HE1 0.05 -0.01 -0.04 -0.04 10.20 10.16 3k7xA1 TRP 161 HE3 -0.22 -0.02 -0.01 -0.04 7.59 7.30 3k7xA1 TRP 161 HZ2 0.20 -0.00 -0.05 -0.04 7.44 7.55 3k7xA1 TRP 161 HZ3 0.20 0.13 0.09 -0.04 7.13 7.50 3k7xA1 TRP 161 HH2 0.21 -0.01 -0.05 -0.04 7.19 7.29 3k7xA1 LEU 162 H -0.29 0.63 -0.17 -0.55 8.37 8.00 3k7xA1 LEU 162 HA -0.37 0.00 0.43 -0.75 4.35 3.66 3k7xA1 LEU 162 HB2 -0.78 0.25 0.18 -0.04 1.64 1.25 3k7xA1 LEU 162 HB3 -2.05 -0.07 -0.03 -0.04 1.64 -0.56 3k7xA1 LEU 162 HG -0.88 -0.06 0.01 -0.04 1.64 0.67 3k7xA1 LEU 162 HD13 -0.21 -0.01 -0.04 -0.04 0.93 0.63 3k7xA1 LEU 162 HD23 -0.56 0.02 -0.09 -0.04 0.89 0.22 3k7xA1 TYR 163 H -0.07 0.52 -0.31 -0.55 8.29 7.88 3k7xA1 TYR 163 HA 0.01 -0.11 0.49 -0.75 4.56 4.20 3k7xA1 TYR 163 HB2 0.04 -0.02 0.01 -0.04 3.06 3.05 3k7xA1 TYR 163 HB3 -0.02 0.22 0.18 -0.04 2.98 3.32 3k7xA1 TYR 163 HD2 0.05 0.09 -0.04 -0.04 7.15 7.21 3k7xA1 TYR 163 HE2 0.02 -0.00 -0.19 -0.04 6.85 6.63 3k7xA1 ASN 164 H 0.03 0.60 -0.05 -0.55 8.53 8.56 3k7xA1 ASN 164 HA -0.21 0.03 0.39 -0.75 4.76 4.21 3k7xA1 ASN 164 HB2 0.01 0.09 0.10 -0.04 2.88 3.04 3k7xA1 ASN 164 HB3 -0.02 -0.03 0.04 -0.04 2.79 2.74 3k7xA1 ASN 164 HD21 0.13 -0.04 -0.07 -0.04 7.03 7.00 3k7xA1 ASN 164 HD22 0.10 -0.04 -0.05 -0.04 7.74 7.71 3k7xA1 GLU 165 H -0.07 0.28 -0.39 -0.55 8.60 7.88 3k7xA1 GLU 165 HA 0.03 0.09 0.54 -0.75 4.29 4.19 3k7xA1 GLU 165 HB2 0.24 0.04 0.07 -0.04 2.09 2.40 3k7xA1 GLU 165 HB3 -0.00 -0.01 0.16 -0.04 1.99 2.09 3k7xA1 GLU 165 HG2 0.23 -0.08 -0.05 -0.04 2.34 2.40 3k7xA1 GLU 165 HG3 0.06 -0.00 -0.24 -0.04 2.34 2.11 3k7xA1 LEU 166 H -0.12 0.64 0.09 -0.55 8.37 8.43 3k7xA1 LEU 166 HA -0.02 0.17 0.81 -0.75 4.35 4.55 3k7xA1 LEU 166 HB2 0.02 0.02 0.11 -0.04 1.64 1.74 3k7xA1 LEU 166 HB3 0.06 -0.07 0.06 -0.04 1.64 1.65 3k7xA1 LEU 166 HG -0.11 -0.02 -0.04 -0.04 1.64 1.43 3k7xA1 LEU 166 HD13 -0.16 -0.02 -0.00 -0.04 0.93 0.71 3k7xA1 LEU 166 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.77 3k7xA1 ASN 167 H -0.17 0.61 0.05 -0.55 8.53 8.47 3k7xA1 ASN 167 HA -0.45 0.13 0.33 -0.75 4.76 4.02 3k7xA1 ASN 167 HB2 -0.07 0.12 0.05 -0.04 2.88 2.95 3k7xA1 ASN 167 HB3 -0.13 -0.10 0.16 -0.04 2.79 2.69 3k7xA1 ASN 167 HD21 -0.16 0.08 -0.01 -0.04 7.03 6.89 3k7xA1 ASN 167 HD22 -0.33 -0.07 0.01 -0.04 7.74 7.30 3k7xA1 GLU 168 H 0.18 0.12 -0.10 -0.55 8.60 8.26 3k7xA1 GLU 168 HA 0.07 0.19 0.88 -0.75 4.29 4.67 3k7xA1 GLU 168 HB2 0.08 -0.04 0.06 -0.04 2.09 2.14 3k7xA1 GLU 168 HB3 -0.04 -0.10 0.03 -0.04 1.99 1.83 3k7xA1 GLU 168 HG2 0.03 0.05 -0.04 -0.04 2.34 2.33 3k7xA1 GLU 168 HG3 0.07 0.18 -0.25 -0.04 2.34 2.29 3k7xA1 THR 169 H 0.09 0.23 0.13 -0.55 8.28 8.19 3k7xA1 THR 169 HA 0.19 0.10 0.31 -0.75 4.39 4.23 3k7xA1 THR 169 HB 0.03 0.02 0.04 -0.04 4.32 4.38 3k7xA1 THR 169 HG23 0.08 0.03 0.06 -0.04 1.22 1.36 3k7xA1 LYS 170 H -0.02 0.10 -0.25 -0.55 8.42 7.70 3k7xA1 LYS 170 HA 0.11 0.08 0.36 -0.75 4.32 4.11 3k7xA1 LYS 170 HB2 0.33 0.06 0.03 -0.04 1.87 2.24 3k7xA1 LYS 170 HB3 0.05 0.00 0.06 -0.04 1.79 1.86 3k7xA1 LYS 170 HG2 -0.42 -0.08 -0.06 -0.04 1.46 0.86 3k7xA1 LYS 170 HG3 -0.91 0.07 -0.23 -0.04 1.46 0.35 3k7xA1 LYS 170 HD2 0.16 0.04 -0.07 -0.04 1.69 1.78 3k7xA1 LYS 170 HD3 -0.03 -0.00 -0.03 -0.04 1.68 1.58 3k7xA1 LYS 170 HE2 -0.36 -0.01 -0.04 -0.04 2.99 2.54 3k7xA1 LYS 170 HE3 -1.05 0.01 -0.07 -0.04 2.99 1.84 3k7xA1 TYR 171 H -0.07 0.33 -0.28 -0.55 8.29 7.71 3k7xA1 TYR 171 HA 0.15 0.06 0.45 -0.75 4.56 4.47 3k7xA1 TYR 171 HB2 0.10 0.08 0.10 -0.04 3.06 3.30 3k7xA1 TYR 171 HB3 -0.09 0.29 0.06 -0.04 2.98 3.20 3k7xA1 TYR 171 HD2 -0.82 -0.00 -0.01 -0.04 7.15 6.28 3k7xA1 TYR 171 HE2 -1.40 0.01 -0.05 -0.04 6.85 5.37 3k7xA1 LEU 172 H -0.04 0.21 -0.11 -0.55 8.37 7.88 3k7xA1 LEU 172 HA -0.18 0.07 0.45 -0.75 4.35 3.94 3k7xA1 LEU 172 HB2 -1.50 0.00 0.05 -0.04 1.64 0.15 3k7xA1 LEU 172 HB3 -0.42 0.05 0.09 -0.04 1.64 1.32 3k7xA1 LEU 172 HG -0.19 0.02 -0.23 -0.04 1.64 1.20 3k7xA1 LEU 172 HD13 -0.26 -0.01 0.03 -0.04 0.93 0.65 3k7xA1 LEU 172 HD23 -0.31 0.00 -0.05 -0.04 0.89 0.49 3k7xA1 GLU 173 H 0.01 0.48 -0.10 -0.55 8.60 8.44 3k7xA1 GLU 173 HA -0.06 0.04 0.40 -0.75 4.29 3.92 3k7xA1 GLU 173 HB2 -0.04 0.02 0.10 -0.04 2.09 2.12 3k7xA1 GLU 173 HB3 -0.18 -0.01 0.01 -0.04 1.99 1.76 3k7xA1 GLU 173 HG2 -0.06 -0.03 -0.00 -0.04 2.34 2.21 3k7xA1 GLU 173 HG3 -0.02 0.31 0.02 -0.04 2.34 2.61 3k7xA1 TRP 174 H 0.39 0.47 -0.18 -0.55 7.97 8.10 3k7xA1 TRP 174 HA 0.03 0.05 0.49 -0.75 4.62 4.44 3k7xA1 TRP 174 HB2 0.58 0.13 0.15 -0.04 3.23 4.04 3k7xA1 TRP 174 HB3 0.65 -0.05 -0.06 -0.04 3.23 3.73 3k7xA1 TRP 174 HD1 0.34 0.07 0.02 -0.04 7.22 7.61 3k7xA1 TRP 174 HE1 -0.04 -0.04 -0.03 -0.04 10.20 10.05 3k7xA1 TRP 174 HE3 -0.33 -0.04 -0.00 -0.04 7.59 7.18 3k7xA1 TRP 174 HZ2 -0.31 0.02 -0.02 -0.04 7.44 7.09 3k7xA1 TRP 174 HZ3 -2.32 -0.05 -0.08 -0.04 7.13 4.64 3k7xA1 TRP 174 HH2 -1.01 0.03 -0.05 -0.04 7.19 6.13 3k7xA1 ALA 175 H 0.32 0.37 -0.35 -0.55 8.40 8.19 3k7xA1 ALA 175 HA 0.37 -0.02 0.32 -0.75 4.34 4.25 3k7xA1 ALA 175 HB3 0.07 0.03 0.13 -0.04 1.41 1.60 3k7xA1 LYS 177 HA 0.03 -0.09 0.32 -0.75 4.32 3.83 3k7xA1 LYS 177 HB2 -0.37 0.08 0.13 -0.04 1.87 1.67 3k7xA1 LYS 177 HB3 -0.33 0.04 0.12 -0.04 1.79 1.59 3k7xA1 LYS 177 HG2 -0.45 -0.05 -0.20 -0.04 1.46 0.72 3k7xA1 LYS 177 HG3 -0.24 -0.03 0.02 -0.04 1.46 1.17 3k7xA1 LYS 177 HD2 -1.02 -0.00 -0.03 -0.04 1.69 0.60 3k7xA1 LYS 177 HD3 -2.01 0.00 -0.05 -0.04 1.68 -0.41 3k7xA1 LYS 177 HE2 -1.20 -0.02 -0.07 -0.04 2.99 1.66 3k7xA1 LYS 177 HE3 -0.39 -0.00 -0.04 -0.04 2.99 2.52 3k7xA1 THR 178 H 0.31 0.71 -0.62 -0.55 8.28 8.12 3k7xA1 THR 178 HA 0.61 -0.03 0.49 -0.75 4.39 4.70 3k7xA1 THR 178 HB 0.54 0.09 0.11 -0.04 4.32 5.02 3k7xA1 THR 178 HG23 0.54 -0.04 -0.01 -0.04 1.22 1.67 3k7xA1 TYR 179 H 0.41 0.64 0.34 -0.55 8.29 9.14 3k7xA1 TYR 179 HA 0.27 -0.01 0.40 -0.75 4.56 4.47 3k7xA1 TYR 179 HB2 0.16 0.14 0.13 -0.04 3.06 3.44 3k7xA1 TYR 179 HB3 0.18 0.01 0.01 -0.04 2.98 3.14 3k7xA1 TYR 179 HD2 0.18 0.01 -0.17 -0.04 7.15 7.13 3k7xA1 TYR 179 HE2 -0.00 0.00 -0.11 -0.04 6.85 6.70 3k7xA1 GLU 180 H 0.32 0.22 -0.29 -0.55 8.60 8.30 3k7xA1 GLU 180 HA 0.13 0.01 0.34 -0.75 4.29 4.02 3k7xA1 GLU 180 HB2 0.20 0.18 0.09 -0.04 2.09 2.52 3k7xA1 GLU 180 HB3 0.14 -0.00 -0.04 -0.04 1.99 2.04 3k7xA1 GLU 180 HG2 0.23 0.00 -0.03 -0.04 2.34 2.50 3k7xA1 GLU 180 HG3 0.13 0.03 -0.00 -0.04 2.34 2.45 3k7xA1 TRP 181 H 0.41 0.43 -0.19 -0.55 7.97 8.08 3k7xA1 TRP 181 HA 0.01 0.06 0.39 -0.75 4.62 4.32 3k7xA1 TRP 181 HB2 0.16 0.07 0.08 -0.04 3.23 3.50 3k7xA1 TRP 181 HB3 0.15 0.04 0.14 -0.04 3.23 3.51 3k7xA1 TRP 181 HD1 -0.09 0.21 -0.30 -0.04 7.22 7.01 3k7xA1 TRP 181 HE1 -0.19 0.08 -0.27 -0.04 10.20 9.78 3k7xA1 TRP 181 HE3 -0.03 0.04 -0.17 -0.04 7.59 7.39 3k7xA1 TRP 181 HZ2 -0.17 0.05 -0.13 -0.04 7.44 7.15 3k7xA1 TRP 181 HZ3 -0.10 -0.08 -0.16 -0.04 7.13 6.75 3k7xA1 TRP 181 HH2 -0.15 -0.04 -0.23 -0.04 7.19 6.72 3k7xA1 GLN 182 H 0.39 0.72 -0.05 -0.55 8.47 8.99 3k7xA1 GLN 182 HA -0.28 -0.04 0.29 -0.75 4.36 3.58 3k7xA1 GLN 182 HB2 0.33 -0.01 0.03 -0.04 2.15 2.46 3k7xA1 GLN 182 HB3 0.08 0.09 0.13 -0.04 2.02 2.29 3k7xA1 GLN 182 HG2 0.16 -0.03 -0.11 -0.04 2.40 2.37 3k7xA1 GLN 182 HG3 -0.19 0.03 -0.37 -0.04 2.39 1.82 3k7xA1 GLN 182 HE21 -0.13 0.01 -0.05 -0.04 6.97 6.76 3k7xA1 GLN 182 HE22 -0.34 0.04 -0.17 -0.04 7.69 7.19 3k7xA1 THR 183 H -0.23 0.68 -0.18 -0.55 8.28 8.00 3k7xA1 THR 183 HA -0.28 -0.03 0.33 -0.75 4.39 3.66 3k7xA1 THR 183 HB -0.20 0.08 0.07 -0.04 4.32 4.22 3k7xA1 THR 183 HG23 -0.04 -0.02 -0.14 -0.04 1.22 0.98 3k7xA1 LYS 184 H -0.22 0.52 -0.17 -0.55 8.42 8.00 3k7xA1 LYS 184 HA -0.15 0.01 0.45 -0.75 4.32 3.87 3k7xA1 LYS 184 HB2 -0.10 -0.02 0.12 -0.04 1.87 1.83 3k7xA1 LYS 184 HB3 -0.25 0.07 0.17 -0.04 1.79 1.74 3k7xA1 LYS 184 HG2 -0.18 0.01 -0.23 -0.04 1.46 1.03 3k7xA1 LYS 184 HG3 -0.10 -0.07 0.02 -0.04 1.46 1.28 3k7xA1 LYS 184 HD2 -0.05 -0.06 -0.03 -0.04 1.69 1.52 3k7xA1 LYS 184 HD3 -0.03 -0.04 -0.02 -0.04 1.68 1.55 3k7xA1 LYS 184 HE2 -0.05 0.05 -0.04 -0.04 2.99 2.91 3k7xA1 LYS 184 HE3 -0.08 0.01 -0.05 -0.04 2.99 2.83 3k7xA1 VAL 185 H -0.68 0.67 -0.06 -0.55 8.24 7.61 3k7xA1 VAL 185 HA -0.35 0.11 0.64 -0.75 4.13 3.77 3k7xA1 VAL 185 HB -1.71 0.03 -0.04 -0.04 2.12 0.36 3k7xA1 VAL 185 HG13 -0.34 -0.03 -0.16 -0.04 0.97 0.40 3k7xA1 VAL 185 HG23 -0.80 0.02 -0.06 -0.04 0.95 0.06 3k7xA1 LEU 186 H -0.52 0.67 0.02 -0.55 8.37 7.99 3k7xA1 LEU 186 HA -0.25 0.18 1.01 -0.75 4.35 4.54 3k7xA1 LEU 186 HB2 -0.32 0.10 0.03 -0.04 1.64 1.40 3k7xA1 LEU 186 HB3 -0.22 -0.05 0.09 -0.04 1.64 1.42 3k7xA1 LEU 186 HG -0.56 0.02 -0.33 -0.04 1.64 0.72 3k7xA1 LEU 186 HD13 0.04 0.01 -0.19 -0.04 0.93 0.75 3k7xA1 LEU 186 HD23 -0.16 0.02 -0.29 -0.04 0.89 0.42 3k7xA1 VAL 187 H -0.26 0.41 -0.13 -0.55 8.24 7.71 3k7xA1 VAL 187 HA -0.23 0.17 1.17 -0.75 4.13 4.48 3k7xA1 VAL 187 HB -0.24 0.14 0.10 -0.04 2.12 2.08 3k7xA1 VAL 187 HG13 -0.15 0.05 -0.26 -0.04 0.97 0.57 3k7xA1 VAL 187 HG23 -0.82 -0.00 -0.26 -0.04 0.95 -0.18 3k7xA1 ARG 188 H -0.02 0.78 0.18 -0.55 8.46 8.85 3k7xA1 ARG 188 HA 0.00 0.13 0.46 -0.75 4.34 4.18 3k7xA1 ARG 188 HB2 0.15 0.19 0.11 -0.04 1.90 2.30 3k7xA1 ARG 188 HB3 0.10 -0.29 0.01 -0.04 1.80 1.58 3k7xA1 ARG 188 HG2 0.02 -0.12 0.09 -0.04 1.67 1.62 3k7xA1 ARG 188 HG3 0.04 0.09 0.04 -0.04 1.67 1.80 3k7xA1 ARG 188 HD2 -0.02 0.02 -0.01 -0.04 3.22 3.17 3k7xA1 ARG 188 HD3 0.11 0.05 -0.05 -0.04 3.22 3.29 3k7xA1 GLU 189 H 0.00 0.15 0.16 -0.55 8.60 8.36 3k7xA1 GLU 189 HA 0.01 0.16 0.39 -0.75 4.29 4.10 3k7xA1 ASP 190 H 0.04 0.00 -0.28 -0.55 8.40 7.62 3k7xA1 ASP 190 HA 0.04 0.21 0.63 -0.75 4.63 4.76 3k7xA1 ASP 190 HB2 0.04 0.05 0.13 -0.04 2.71 2.89 3k7xA1 ASP 190 HB3 0.02 0.00 0.03 -0.04 2.70 2.71 3k7xA1 GLY 191 H 0.06 0.57 -0.61 -0.55 8.43 7.91 3k7xA1 GLY 191 HA2 0.11 0.09 0.17 -0.51 4.01 3.87 3k7xA1 GLY 191 HA3 0.12 0.10 0.39 -0.51 4.01 4.11 3k7xA1 PHE 192 H 0.19 -0.06 -0.31 -0.55 8.34 7.61 3k7xA1 PHE 192 HA 0.02 0.10 0.42 -0.75 4.62 4.41 3k7xA1 PHE 192 HB2 -0.00 0.02 -0.03 -0.04 3.15 3.10 3k7xA1 PHE 192 HB3 -0.02 -0.09 -0.00 -0.04 3.06 2.91 3k7xA1 PHE 192 HD2 -0.00 -0.04 -0.24 -0.04 7.28 6.96 3k7xA1 PHE 192 HE2 -0.01 0.00 -0.13 -0.04 7.38 7.21 3k7xA1 PHE 192 HZ -0.02 -0.10 -0.04 -0.04 7.32 7.11 3k7xA1 VAL 193 H -0.83 0.12 0.14 -0.55 8.24 7.12 3k7xA1 VAL 193 HA -0.34 0.24 0.94 -0.75 4.13 4.22 3k7xA1 VAL 193 HB -0.33 -0.15 -0.09 -0.04 2.12 1.50 3k7xA1 VAL 193 HG13 -0.30 0.07 -0.13 -0.04 0.97 0.58 3k7xA1 VAL 193 HG23 -0.30 0.03 -0.04 -0.04 0.95 0.61 3k7xA1 GLU 194 H -0.18 0.78 0.32 -0.55 8.60 8.97 3k7xA1 GLU 194 HA 0.02 0.06 0.50 -0.75 4.29 4.11 3k7xA1 GLU 194 HB2 -0.13 0.06 0.05 -0.04 2.09 2.03 3k7xA1 GLU 194 HB3 -0.11 -0.15 0.01 -0.04 1.99 1.70 3k7xA1 GLU 194 HG2 0.00 0.13 -0.08 -0.04 2.34 2.35 3k7xA1 GLU 194 HG3 -0.04 0.03 -0.09 -0.04 2.34 2.20 3k7xA1 ASP 195 H 0.02 0.22 0.21 -0.55 8.40 8.30 3k7xA1 ASP 195 HA 0.03 0.04 0.52 -0.75 4.63 4.47 3k7xA1 ASP 195 HB2 0.28 0.32 0.31 -0.04 2.71 3.58 3k7xA1 ASP 195 HB3 0.26 -0.08 0.25 -0.04 2.70 3.09 3k7xA1 GLY 196 H -0.05 0.13 0.15 -0.55 8.43 8.11 3k7xA1 GLY 196 HA2 -0.00 0.17 0.55 -0.51 4.01 4.21 3k7xA1 GLY 196 HA3 0.07 0.02 0.43 -0.51 4.01 4.01 3k7xA1 ILE 197 H 0.14 0.84 0.35 -0.55 8.25 9.03 3k7xA1 ILE 197 HA -0.07 0.13 1.03 -0.75 4.18 4.51 3k7xA1 ILE 197 HB -0.07 0.02 -0.26 -0.04 1.89 1.53 3k7xA1 ILE 197 HG12 0.01 -0.04 -0.30 -0.04 1.49 1.12 3k7xA1 ILE 197 HG13 -0.08 -0.11 -0.50 -0.04 1.21 0.48 3k7xA1 ILE 197 HG23 0.15 0.06 -0.05 -0.04 0.93 1.05 3k7xA1 ILE 197 HD13 -0.06 0.07 -0.10 -0.04 0.88 0.75 3k7xA1 ASN 198 H -0.05 0.65 0.17 -0.55 8.53 8.75 3k7xA1 ASN 198 HA -0.01 -0.30 0.38 -0.75 4.76 4.08 3k7xA1 ASN 198 HB2 0.08 0.04 -0.24 -0.04 2.88 2.72 3k7xA1 ASN 198 HB3 0.19 0.40 0.27 -0.04 2.79 3.61 3k7xA1 ASN 198 HD21 0.07 -0.04 0.06 -0.04 7.03 7.08 3k7xA1 ASN 198 HD22 0.22 0.61 0.15 -0.04 7.74 8.68 3k7xA1 ARG 199 H -0.21 0.12 -0.21 -0.55 8.46 7.61 3k7xA1 ARG 199 HA -0.89 0.15 0.34 -0.75 4.34 3.18 3k7xA1 ARG 199 HB2 -1.19 0.01 -0.03 -0.04 1.90 0.65 3k7xA1 ARG 199 HB3 -0.50 -0.07 0.01 -0.04 1.80 1.20 3k7xA1 ARG 199 HG2 -0.31 0.03 -0.27 -0.04 1.67 1.08 3k7xA1 ARG 199 HG3 -0.80 0.04 -0.00 -0.04 1.67 0.87 3k7xA1 ARG 199 HD2 -0.01 0.01 -0.06 -0.04 3.22 3.12 3k7xA1 ARG 199 HD3 -0.35 -0.01 -0.05 -0.04 3.22 2.76 3k7xA1 LEU 200 H -0.14 -0.04 -0.24 -0.55 8.37 7.41 3k7xA1 LEU 200 HA -0.02 0.28 0.74 -0.75 4.35 4.60 3k7xA1 LEU 200 HB2 -0.09 -0.09 0.00 -0.04 1.64 1.42 3k7xA1 LEU 200 HB3 -0.06 0.08 0.13 -0.04 1.64 1.75 3k7xA1 LEU 200 HG -0.16 -0.11 -0.14 -0.04 1.64 1.18 3k7xA1 LEU 200 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.78 3k7xA1 LEU 200 HD23 -0.02 0.04 -0.08 -0.04 0.89 0.79 3k7xA1 GLU 201 H 0.03 0.47 -0.54 -0.55 8.60 8.01 3k7xA1 GLU 201 HA -0.12 0.11 0.30 -0.75 4.29 3.83 3k7xA1 GLU 201 HB2 -0.19 0.17 -0.00 -0.04 2.09 2.02 3k7xA1 GLU 201 HB3 -0.27 -0.01 0.20 -0.04 1.99 1.87 3k7xA1 GLU 201 HG2 -1.46 0.08 -0.03 -0.04 2.34 0.88 3k7xA1 GLU 201 HG3 -0.47 -0.02 -0.28 -0.04 2.34 1.53 3k7xA1 ASP 202 H -0.06 -0.14 -0.28 -0.55 8.40 7.37 3k7xA1 ASP 202 HA -0.05 0.32 0.91 -0.75 4.63 5.05 3k7xA1 ASP 202 HB2 -0.05 0.04 0.13 -0.04 2.71 2.79 3k7xA1 ASP 202 HB3 -0.06 0.14 -0.08 -0.04 2.70 2.66 3k7xA1 GLY 203 H -0.03 0.01 -0.02 -0.55 8.43 7.84 3k7xA1 GLY 203 HA2 -0.01 0.08 0.30 -0.51 4.01 3.87 3k7xA1 GLY 203 HA3 -0.02 0.16 0.38 -0.51 4.01 4.02 3k7xA1 THR 204 H -0.07 -0.12 -0.29 -0.55 8.28 7.25 3k7xA1 THR 204 HA -0.07 0.32 0.92 -0.75 4.39 4.81 3k7xA1 THR 204 HB -0.06 0.04 0.12 -0.04 4.32 4.38 3k7xA1 THR 204 HG23 -0.03 0.06 -0.09 -0.04 1.22 1.12 3k7xA1 ILE 205 H -0.30 0.19 0.23 -0.55 8.25 7.82 3k7xA1 ILE 205 HA -0.29 0.29 0.98 -0.75 4.18 4.41 3k7xA1 ILE 205 HB -1.26 -0.05 0.13 -0.04 1.89 0.67 3k7xA1 ILE 205 HG12 -0.22 0.07 -0.09 -0.04 1.49 1.21 3k7xA1 ILE 205 HG13 -0.22 -0.07 -0.03 -0.04 1.21 0.86 3k7xA1 ILE 205 HG23 -0.45 0.02 -0.13 -0.04 0.93 0.33 3k7xA1 ILE 205 HD13 -0.14 0.04 0.02 -0.04 0.88 0.76 3k7xA1 ASP 206 H -0.34 0.42 0.22 -0.55 8.40 8.15 3k7xA1 ASP 206 HA -0.46 0.12 0.65 -0.75 4.63 4.19 3k7xA1 ASP 206 HB2 -0.43 -0.02 0.26 -0.04 2.71 2.48 3k7xA1 ASP 206 HB3 -1.14 -0.03 0.18 -0.04 2.70 1.66 3k7xA1 TYR 207 H -0.29 0.47 0.00 -0.55 8.29 7.92 3k7xA1 TYR 207 HA -0.01 0.07 0.26 -0.75 4.56 4.13 3k7xA1 TYR 207 HB2 -0.06 -0.02 0.09 -0.04 3.06 3.03 3k7xA1 TYR 207 HB3 -0.05 0.04 0.00 -0.04 2.98 2.94 3k7xA1 TYR 207 HD2 -0.05 0.00 0.04 -0.04 7.15 7.10 3k7xA1 TYR 207 HE2 -0.06 0.02 0.03 -0.04 6.85 6.81 3k7xA1 GLU 208 H 0.04 0.05 -0.23 -0.55 8.60 7.91 3k7xA1 GLU 208 HA 0.07 0.20 0.58 -0.75 4.29 4.39 3k7xA1 GLU 208 HB2 0.14 -0.04 0.02 -0.04 2.09 2.17 3k7xA1 GLU 208 HB3 0.13 0.04 0.13 -0.04 1.99 2.25 3k7xA1 GLU 208 HG2 0.06 -0.06 -0.01 -0.04 2.34 2.29 3k7xA1 GLU 208 HG3 0.06 0.02 0.02 -0.04 2.34 2.39 3k7xA1 TRP 209 H 0.15 0.42 -0.44 -0.55 7.97 7.55 3k7xA1 TRP 209 HA -0.47 0.15 0.67 -0.75 4.62 4.20 3k7xA1 TRP 209 HB2 -0.09 0.11 0.28 -0.04 3.23 3.49 3k7xA1 TRP 209 HB3 -0.20 -0.05 0.18 -0.04 3.23 3.12 3k7xA1 TRP 209 HD1 -0.03 0.01 -0.43 -0.04 7.22 6.73 3k7xA1 TRP 209 HE1 0.06 0.02 -0.06 -0.04 10.20 10.18 3k7xA1 TRP 209 HE3 0.19 -0.03 0.02 -0.04 7.59 7.74 3k7xA1 TRP 209 HZ2 0.06 0.02 -0.03 -0.04 7.44 7.45 3k7xA1 TRP 209 HZ3 0.01 0.00 -0.03 -0.04 7.13 7.07 3k7xA1 TRP 209 HH2 0.00 0.02 -0.03 -0.04 7.19 7.14 3k7xA1 LYS 210 H -0.17 0.44 -0.22 -0.55 8.42 7.92 3k7xA1 LYS 210 HA 0.16 0.10 0.64 -0.75 4.32 4.46 3k7xA1 LYS 210 HB2 0.05 0.03 0.17 -0.04 1.87 2.07 3k7xA1 LYS 210 HB3 0.36 0.00 0.00 -0.04 1.79 2.12 3k7xA1 LYS 210 HG2 0.15 0.06 -0.06 -0.04 1.46 1.56 3k7xA1 LYS 210 HG3 0.04 -0.04 -0.13 -0.04 1.46 1.28 3k7xA1 LYS 210 HD2 -0.05 0.02 0.02 -0.04 1.69 1.64 3k7xA1 LYS 210 HD3 -0.27 -0.03 -0.02 -0.04 1.68 1.33 3k7xA1 LYS 210 HE2 -0.02 0.21 0.04 -0.04 2.99 3.18 3k7xA1 LYS 210 HE3 -0.03 -0.03 0.04 -0.04 2.99 2.93 3k7xA1 PHE 211 H 0.02 0.28 0.19 -0.55 8.34 8.28 3k7xA1 PHE 211 HA 0.14 0.28 1.05 -0.75 4.62 5.33 3k7xA1 PHE 211 HB2 0.09 -0.02 0.07 -0.04 3.15 3.25 3k7xA1 PHE 211 HB3 0.05 -0.13 0.03 -0.04 3.06 2.97 3k7xA1 PHE 211 HD2 0.21 0.03 -0.00 -0.04 7.28 7.48 3k7xA1 PHE 211 HE2 -0.04 0.12 0.03 -0.04 7.38 7.45 3k7xA1 PHE 211 HZ -0.56 -0.01 -0.00 -0.04 7.32 6.71 3k7xA1 THR 212 H 0.21 0.24 0.14 -0.55 8.28 8.32 3k7xA1 THR 212 HA -0.06 0.14 0.38 -0.75 4.39 4.09 3k7xA1 THR 212 HB -0.47 0.02 -0.03 -0.04 4.32 3.79 3k7xA1 THR 212 HG23 -0.55 0.05 0.03 -0.04 1.22 0.71 3k7xA1 TYR 213 H 0.27 0.08 -0.12 -0.55 8.29 7.96 3k7xA1 TYR 213 HA 0.14 0.07 0.37 -0.75 4.56 4.40 3k7xA1 TYR 213 HB2 0.06 0.03 0.09 -0.04 3.06 3.21 3k7xA1 TYR 213 HB3 -0.04 0.05 0.21 -0.04 2.98 3.16 3k7xA1 TYR 213 HD2 -0.28 -0.06 -0.07 -0.04 7.15 6.70 3k7xA1 TYR 213 HE2 -0.48 0.02 -0.05 -0.04 6.85 6.30 3k7xA1 ASN 214 H 0.06 0.20 -0.41 -0.55 8.53 7.83 3k7xA1 ASN 214 HA -0.24 0.03 0.35 -0.75 4.76 4.14 3k7xA1 ASN 214 HB2 -0.09 0.20 0.09 -0.04 2.88 3.04 3k7xA1 ASN 214 HB3 -0.16 0.09 -0.10 -0.04 2.79 2.57 3k7xA1 ASN 214 HD21 0.24 -0.06 0.06 -0.04 7.03 7.23 3k7xA1 ASN 214 HD22 0.10 0.08 0.06 -0.04 7.74 7.94 3k7xA1 GLN 215 H 0.04 0.28 -0.16 -0.55 8.47 8.09 3k7xA1 GLN 215 HA 0.04 0.07 0.46 -0.75 4.36 4.17 3k7xA1 GLN 215 HB2 0.39 0.07 0.10 -0.04 2.15 2.68 3k7xA1 GLN 215 HB3 0.19 0.05 0.04 -0.04 2.02 2.25 3k7xA1 GLN 215 HG2 -0.02 0.11 0.15 -0.04 2.40 2.61 3k7xA1 GLN 215 HG3 -0.01 -0.01 0.03 -0.04 2.39 2.35 3k7xA1 GLN 215 HE21 -1.02 0.38 0.16 -0.04 6.97 6.44 3k7xA1 GLN 215 HE22 -0.29 0.21 0.09 -0.04 7.69 7.67 3k7xA1 GLY 216 H 0.31 0.47 -0.08 -0.55 8.43 8.58 3k7xA1 GLY 216 HA2 0.01 0.04 0.36 -0.51 4.01 3.91 3k7xA1 GLY 216 HA3 0.24 0.06 0.23 -0.51 4.01 4.04 3k7xA1 VAL 217 H 0.13 0.60 -0.12 -0.55 8.24 8.30 3k7xA1 VAL 217 HA -0.41 0.03 0.41 -0.75 4.13 3.41 3k7xA1 VAL 217 HB -0.10 -0.07 -0.13 -0.04 2.12 1.78 3k7xA1 VAL 217 HG13 0.24 0.01 -0.02 -0.04 0.97 1.16 3k7xA1 VAL 217 HG23 -0.00 0.18 0.03 -0.04 0.95 1.12 3k7xA1 TYR 218 H 0.13 0.41 -0.42 -0.55 8.29 7.86 3k7xA1 TYR 218 HA 0.01 0.00 0.46 -0.75 4.56 4.28 3k7xA1 TYR 218 HB2 -0.04 0.09 0.11 -0.04 3.06 3.18 3k7xA1 TYR 218 HB3 -0.00 0.13 0.11 -0.04 2.98 3.18 3k7xA1 TYR 218 HD2 0.02 0.01 -0.04 -0.04 7.15 7.10 3k7xA1 TYR 218 HE2 -0.10 0.01 -0.08 -0.04 6.85 6.63 3k7xA1 ILE 219 H 0.08 0.53 -0.14 -0.55 8.25 8.18 3k7xA1 ILE 219 HA -0.03 0.01 0.46 -0.75 4.18 3.86 3k7xA1 ILE 219 HB 0.06 0.15 0.13 -0.04 1.89 2.19 3k7xA1 ILE 219 HG12 0.09 0.04 0.10 -0.04 1.49 1.69 3k7xA1 ILE 219 HG13 0.13 0.12 0.04 -0.04 1.21 1.45 3k7xA1 ILE 219 HG23 0.07 -0.02 -0.17 -0.04 0.93 0.77 3k7xA1 ILE 219 HD13 0.07 -0.04 -0.15 -0.04 0.88 0.72 3k7xA1 GLY 220 H -0.11 0.50 -0.13 -0.55 8.43 8.14 3k7xA1 GLY 220 HA2 0.07 0.03 0.39 -0.51 4.01 3.99 3k7xA1 GLY 220 HA3 -0.39 0.05 0.29 -0.51 4.01 3.45 3k7xA1 ALA 221 H -0.14 0.59 -0.20 -0.55 8.40 8.11 3k7xA1 ALA 221 HA -0.10 -0.03 0.36 -0.75 4.34 3.81 3k7xA1 ALA 221 HB3 0.03 0.04 0.13 -0.04 1.41 1.57 3k7xA1 ASN 222 H -0.14 0.59 -0.21 -0.55 8.53 8.22 3k7xA1 ASN 222 HA -0.12 -0.03 0.45 -0.75 4.76 4.31 3k7xA1 ASN 222 HB2 -0.11 0.14 0.22 -0.04 2.88 3.08 3k7xA1 ASN 222 HB3 0.00 0.11 0.03 -0.04 2.79 2.90 3k7xA1 ASN 222 HD21 -1.31 -0.06 -0.09 -0.04 7.03 5.53 3k7xA1 ASN 222 HD22 -0.77 0.36 -0.06 -0.04 7.74 7.23 3k7xA1 LEU 223 H -0.00 0.66 -0.08 -0.55 8.37 8.39 3k7xA1 LEU 223 HA 0.12 -0.02 0.37 -0.75 4.35 4.06 3k7xA1 LEU 223 HB2 0.09 0.09 0.11 -0.04 1.64 1.90 3k7xA1 LEU 223 HB3 0.12 -0.02 -0.02 -0.04 1.64 1.67 3k7xA1 LEU 223 HG 0.04 0.14 0.04 -0.04 1.64 1.82 3k7xA1 LEU 223 HD13 0.09 -0.01 -0.18 -0.04 0.93 0.78 3k7xA1 LEU 223 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 3k7xA1 GLU 224 H 0.00 0.58 -0.20 -0.55 8.60 8.44 3k7xA1 GLU 224 HA 0.09 0.05 0.45 -0.75 4.29 4.13 3k7xA1 GLU 224 HB2 -0.05 0.10 0.13 -0.04 2.09 2.23 3k7xA1 GLU 224 HB3 0.03 -0.07 0.01 -0.04 1.99 1.93 3k7xA1 GLU 224 HG2 0.08 0.22 0.05 -0.04 2.34 2.65 3k7xA1 GLU 224 HG3 -0.05 -0.06 0.03 -0.04 2.34 2.23 3k7xA1 LEU 225 H -0.19 0.55 -0.11 -0.55 8.37 8.08 3k7xA1 LEU 225 HA -0.26 0.04 0.51 -0.75 4.35 3.88 3k7xA1 LEU 225 HB2 -0.83 0.12 0.17 -0.04 1.64 1.06 3k7xA1 LEU 225 HB3 -1.39 -0.10 0.03 -0.04 1.64 0.14 3k7xA1 LEU 225 HG -0.27 0.08 0.07 -0.04 1.64 1.47 3k7xA1 LEU 225 HD13 -0.60 0.00 -0.02 -0.04 0.93 0.26 3k7xA1 LEU 225 HD23 -0.25 -0.02 0.03 -0.04 0.89 0.61 3k7xA1 TYR 226 H -0.00 0.59 -0.23 -0.55 8.29 8.09 3k7xA1 TYR 226 HA 0.06 -0.11 0.46 -0.75 4.56 4.22 3k7xA1 TYR 226 HB2 0.09 -0.03 -0.02 -0.04 3.06 3.06 3k7xA1 TYR 226 HB3 0.02 0.18 0.09 -0.04 2.98 3.23 3k7xA1 TYR 226 HD2 0.10 0.09 -0.08 -0.04 7.15 7.22 3k7xA1 TYR 226 HE2 0.02 0.03 -0.29 -0.04 6.85 6.57 3k7xA1 ARG 227 H 0.04 0.47 -0.25 -0.55 8.46 8.16 3k7xA1 ARG 227 HA -0.12 0.03 0.38 -0.75 4.34 3.88 3k7xA1 ARG 227 HB2 0.06 0.01 0.11 -0.04 1.90 2.04 3k7xA1 ARG 227 HB3 0.04 0.14 0.16 -0.04 1.80 2.10 3k7xA1 ARG 227 HG2 0.02 0.01 -0.20 -0.04 1.67 1.46 3k7xA1 ARG 227 HG3 0.01 -0.02 0.04 -0.04 1.67 1.65 3k7xA1 ARG 227 HD2 0.06 -0.01 -0.02 -0.04 3.22 3.21 3k7xA1 ARG 227 HD3 0.03 -0.02 -0.03 -0.04 3.22 3.16 3k7xA1 ILE 228 H -0.05 0.25 -0.30 -0.55 8.25 7.60 3k7xA1 ILE 228 HA 0.03 0.11 0.56 -0.75 4.18 4.13 3k7xA1 ILE 228 HB -0.07 0.00 0.16 -0.04 1.89 1.94 3k7xA1 ILE 228 HG12 0.18 -0.02 -0.01 -0.04 1.49 1.60 3k7xA1 ILE 228 HG13 0.06 0.08 0.03 -0.04 1.21 1.34 3k7xA1 ILE 228 HG23 0.05 -0.02 -0.13 -0.04 0.93 0.79 3k7xA1 ILE 228 HD13 0.08 -0.02 -0.01 -0.04 0.88 0.88 3k7xA1 THR 229 H -0.09 0.63 0.08 -0.55 8.28 8.35 3k7xA1 THR 229 HA 0.00 0.19 0.81 -0.75 4.39 4.64 3k7xA1 THR 229 HB 0.10 -0.06 0.07 -0.04 4.32 4.38 3k7xA1 THR 229 HG23 -0.09 0.03 0.02 -0.04 1.22 1.14 3k7xA1 LYS 230 H -0.14 0.47 0.06 -0.55 8.42 8.26 3k7xA1 LYS 230 HA -0.54 0.16 0.33 -0.75 4.32 3.50 3k7xA1 LYS 230 HB2 -0.05 0.21 -0.21 -0.04 1.87 1.78 3k7xA1 LYS 230 HB3 -0.06 -0.12 0.23 -0.04 1.79 1.79 3k7xA1 LYS 230 HG2 -0.10 -0.08 -0.01 -0.04 1.46 1.23 3k7xA1 LYS 230 HG3 -0.32 0.05 0.01 -0.04 1.46 1.17 3k7xA1 LYS 230 HD2 -0.12 0.26 -0.20 -0.04 1.69 1.59 3k7xA1 LYS 230 HD3 -0.06 0.01 -0.45 -0.04 1.68 1.14 3k7xA1 LYS 230 HE2 -0.03 -0.08 -0.05 -0.04 2.99 2.79 3k7xA1 LYS 230 HE3 -0.05 -0.05 -0.02 -0.04 2.99 2.83 3k7xA1 GLU 231 H 0.26 0.05 -0.27 -0.55 8.60 8.10 3k7xA1 GLU 231 HA 0.11 0.16 0.69 -0.75 4.29 4.49 3k7xA1 GLU 231 HB2 0.16 -0.06 0.04 -0.04 2.09 2.19 3k7xA1 GLU 231 HB3 0.01 -0.07 0.03 -0.04 1.99 1.92 3k7xA1 GLU 231 HG2 0.14 0.12 -0.19 -0.04 2.34 2.36 3k7xA1 GLU 231 HG3 0.14 0.00 -0.03 -0.04 2.34 2.41 3k7xA1 ALA 232 H 0.09 0.22 0.16 -0.55 8.40 8.33 3k7xA1 ALA 232 HA 0.10 0.09 0.32 -0.75 4.34 4.09 3k7xA1 ALA 232 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 3k7xA1 ILE 233 H -0.10 0.11 -0.27 -0.55 8.25 7.43 3k7xA1 ILE 233 HA -0.09 0.06 0.30 -0.75 4.18 3.69 3k7xA1 ILE 233 HB -0.15 0.01 0.05 -0.04 1.89 1.75 3k7xA1 ILE 233 HG12 -0.11 0.05 -0.07 -0.04 1.49 1.32 3k7xA1 ILE 233 HG13 -0.13 0.01 -0.18 -0.04 1.21 0.87 3k7xA1 ILE 233 HG23 -0.76 0.01 -0.12 -0.04 0.93 0.02 3k7xA1 ILE 233 HD13 -0.03 0.00 0.00 -0.04 0.88 0.82 3k7xA1 TYR 234 H -0.23 0.32 -0.30 -0.55 8.29 7.53 3k7xA1 TYR 234 HA -0.04 0.07 0.41 -0.75 4.56 4.24 3k7xA1 TYR 234 HB2 0.15 0.06 0.07 -0.04 3.06 3.30 3k7xA1 TYR 234 HB3 -0.02 0.22 0.04 -0.04 2.98 3.18 3k7xA1 TYR 234 HD2 -0.15 0.01 -0.03 -0.04 7.15 6.94 3k7xA1 TYR 234 HE2 -0.60 0.01 -0.07 -0.04 6.85 6.16 3k7xA1 LEU 235 H -0.25 0.24 -0.10 -0.55 8.37 7.72 3k7xA1 LEU 235 HA -0.27 0.07 0.43 -0.75 4.35 3.83 3k7xA1 LEU 235 HB2 -1.67 0.04 0.04 -0.04 1.64 0.00 3k7xA1 LEU 235 HB3 -0.51 0.04 0.10 -0.04 1.64 1.23 3k7xA1 LEU 235 HG -0.20 -0.04 -0.22 -0.04 1.64 1.14 3k7xA1 LEU 235 HD13 -0.20 -0.00 -0.02 -0.04 0.93 0.67 3k7xA1 LEU 235 HD23 -0.25 0.02 -0.05 -0.04 0.89 0.57 3k7xA1 ASP 236 H -0.11 0.66 -0.06 -0.55 8.40 8.33 3k7xA1 ASP 236 HA -0.03 0.02 0.36 -0.75 4.63 4.22 3k7xA1 ASP 236 HB2 -0.03 0.06 0.04 -0.04 2.71 2.74 3k7xA1 ASP 236 HB3 -0.01 -0.03 -0.01 -0.04 2.70 2.61 3k7xA1 THR 237 H -0.01 0.56 -0.25 -0.55 8.28 8.03 3k7xA1 THR 237 HA 0.08 0.02 0.42 -0.75 4.39 4.15 3k7xA1 THR 237 HB 0.08 0.07 0.12 -0.04 4.32 4.54 3k7xA1 THR 237 HG23 0.21 -0.01 -0.10 -0.04 1.22 1.27 3k7xA1 ALA 238 H -0.00 0.50 -0.20 -0.55 8.40 8.15 3k7xA1 ALA 238 HA 0.03 0.01 0.44 -0.75 4.34 4.06 3k7xA1 ALA 238 HB3 0.00 0.03 0.13 -0.04 1.41 1.53 3k7xA1 ASN 239 H 0.03 0.57 -0.17 -0.55 8.53 8.41 3k7xA1 ASN 239 HA 0.17 -0.01 0.41 -0.75 4.76 4.57 3k7xA1 ASN 239 HB2 0.04 0.15 0.16 -0.04 2.88 3.18 3k7xA1 ASN 239 HB3 0.09 -0.06 -0.03 -0.04 2.79 2.75 3k7xA1 ASN 239 HD21 -0.03 -0.01 -0.06 -0.04 7.03 6.89 3k7xA1 ASN 239 HD22 -0.03 -0.01 -0.10 -0.04 7.74 7.56 3k7xA1 LYS 240 H 0.08 0.50 -0.17 -0.55 8.42 8.28 3k7xA1 LYS 240 HA 0.10 -0.02 0.45 -0.75 4.32 4.09 3k7xA1 LYS 240 HB2 0.10 0.08 0.09 -0.04 1.87 2.10 3k7xA1 LYS 240 HB3 0.09 0.11 -0.10 -0.04 1.79 1.85 3k7xA1 LYS 240 HG2 0.06 -0.10 0.01 -0.04 1.46 1.39 3k7xA1 LYS 240 HG3 0.05 0.25 0.02 -0.04 1.46 1.75 3k7xA1 LYS 240 HD2 0.05 -0.03 -0.03 -0.04 1.69 1.63 3k7xA1 LYS 240 HD3 0.04 -0.06 -0.05 -0.04 1.68 1.57 3k7xA1 LYS 240 HE2 0.06 -0.04 -0.10 -0.04 2.99 2.86 3k7xA1 LYS 240 HE3 0.07 -0.00 -0.23 -0.04 2.99 2.80 3k7xA1 THR 241 H 0.14 0.58 -0.15 -0.55 8.28 8.30 3k7xA1 THR 241 HA 0.15 0.05 0.37 -0.75 4.39 4.20 3k7xA1 THR 241 HB 0.17 0.07 0.15 -0.04 4.32 4.67 3k7xA1 THR 241 HG23 0.19 -0.03 -0.03 -0.04 1.22 1.31 3k7xA1 ALA 242 H 0.15 0.55 -0.18 -0.55 8.40 8.37 3k7xA1 ALA 242 HA 0.20 -0.01 0.40 -0.75 4.34 4.18 3k7xA1 ALA 242 HB3 0.19 0.03 0.09 -0.04 1.41 1.68 3k7xA1 ALA 243 H 0.16 0.61 -0.14 -0.55 8.40 8.48 3k7xA1 ALA 243 HA 0.10 -0.02 0.38 -0.75 4.34 4.04 3k7xA1 ALA 243 HB3 0.15 0.02 0.10 -0.04 1.41 1.64 3k7xA1 ILE 244 H 0.10 0.71 -0.06 -0.55 8.25 8.45 3k7xA1 ILE 244 HA 0.05 0.00 0.41 -0.75 4.18 3.89 3k7xA1 ILE 244 HB 0.11 0.22 0.11 -0.04 1.89 2.28 3k7xA1 ILE 244 HG12 0.14 -0.10 -0.08 -0.04 1.49 1.41 3k7xA1 ILE 244 HG13 0.11 -0.05 -0.04 -0.04 1.21 1.19 3k7xA1 ILE 244 HG23 0.23 0.00 -0.19 -0.04 0.93 0.93 3k7xA1 ILE 244 HD13 0.01 -0.00 0.02 -0.04 0.88 0.87 3k7xA1 SER 245 H 0.08 0.49 -0.40 -0.55 8.46 8.09 3k7xA1 SER 245 HA 0.11 -0.02 0.38 -0.75 4.49 4.20 3k7xA1 SER 245 HB2 0.06 0.19 0.15 -0.04 3.95 4.30 3k7xA1 SER 245 HB3 -0.18 -0.10 -0.02 -0.04 3.93 3.59 3k7xA1 LEU 246 H -0.15 0.51 -0.11 -0.55 8.37 8.08 3k7xA1 LEU 246 HA -0.56 0.00 0.39 -0.75 4.35 3.43 3k7xA1 LEU 246 HB2 -0.20 0.10 0.10 -0.04 1.64 1.61 3k7xA1 LEU 246 HB3 -0.43 -0.06 -0.02 -0.04 1.64 1.10 3k7xA1 LEU 246 HG -0.44 0.24 0.06 -0.04 1.64 1.47 3k7xA1 LEU 246 HD13 -0.42 -0.03 -0.07 -0.04 0.93 0.36 3k7xA1 LEU 246 HD23 -1.34 -0.02 -0.08 -0.04 0.89 -0.60 3k7xA1 LYS 247 H -0.07 0.46 -0.23 -0.55 8.42 8.03 3k7xA1 LYS 247 HA -0.07 0.03 0.44 -0.75 4.32 3.96 3k7xA1 LYS 247 HB2 -0.02 -0.04 0.08 -0.04 1.87 1.85 3k7xA1 LYS 247 HB3 -0.01 0.05 0.17 -0.04 1.79 1.96 3k7xA1 LYS 247 HG2 -0.03 -0.02 -0.14 -0.04 1.46 1.23 3k7xA1 LYS 247 HG3 -0.04 0.00 -0.06 -0.04 1.46 1.33 3k7xA1 LYS 247 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.61 3k7xA1 LYS 247 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.60 3k7xA1 LYS 247 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 3k7xA1 LYS 247 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 3k7xA1 GLU 248 H -0.03 0.57 -0.03 -0.55 8.60 8.55 3k7xA1 GLU 248 HA -0.06 0.19 0.92 -0.75 4.29 4.59 3k7xA1 GLU 248 HB2 -0.03 0.06 0.08 -0.04 2.09 2.15 3k7xA1 GLU 248 HB3 -0.11 -0.05 0.05 -0.04 1.99 1.83 3k7xA1 GLU 248 HG2 -0.09 0.00 -0.04 -0.04 2.34 2.17 3k7xA1 GLU 248 HG3 -0.06 0.01 -0.02 -0.04 2.34 2.22 3k7xA1 LEU 249 H -0.06 0.57 0.02 -0.55 8.37 8.35 3k7xA1 LEU 249 HA 0.02 0.20 0.95 -0.75 4.35 4.76 3k7xA1 LEU 249 HB2 0.10 0.16 0.08 -0.04 1.64 1.94 3k7xA1 LEU 249 HB3 0.19 -0.10 0.12 -0.04 1.64 1.81 3k7xA1 LEU 249 HG 0.16 -0.01 -0.04 -0.04 1.64 1.71 3k7xA1 LEU 249 HD13 0.09 -0.05 -0.14 -0.04 0.93 0.79 3k7xA1 LEU 249 HD23 0.15 0.03 -0.18 -0.04 0.89 0.86 3k7xA1 THR 250 H -0.20 0.31 -0.13 -0.55 8.28 7.71 3k7xA1 THR 250 HA -0.26 0.12 1.20 -0.75 4.39 4.70 3k7xA1 THR 250 HB -0.26 -0.02 -0.12 -0.04 4.32 3.88 3k7xA1 THR 250 HG23 -1.36 -0.02 -0.20 -0.04 1.22 -0.40 3k7xA1 GLU 251 H -0.09 0.84 0.25 -0.55 8.60 9.05 3k7xA1 GLU 251 HA -0.03 0.05 0.62 -0.75 4.29 4.17 3k7xA1 GLU 251 HB2 -0.03 0.08 -0.35 -0.04 2.09 1.75 3k7xA1 GLU 251 HB3 -0.02 -0.01 -0.02 -0.04 1.99 1.89 3k7xA1 GLU 251 HG2 -0.01 -0.03 -0.05 -0.04 2.34 2.21 3k7xA1 GLU 251 HG3 -0.02 0.01 0.12 -0.04 2.34 2.41 3k7xA1 ASP 252 H 0.00 0.16 0.12 -0.55 8.40 8.13 3k7xA1 ASP 252 HA 0.02 0.02 0.33 -0.75 4.63 4.25 3k7xA1 ASP 252 HB2 0.01 0.16 -0.11 -0.04 2.71 2.74 3k7xA1 ASP 252 HB3 0.02 0.03 0.19 -0.04 2.70 2.91 3k7xA1 GLY 253 H 0.05 0.04 -0.21 -0.55 8.43 7.77 3k7xA1 GLY 253 HA2 0.10 -0.03 0.24 -0.51 4.01 3.82 3k7xA1 GLY 253 HA3 0.02 0.14 0.45 -0.51 4.01 4.12 3k7xA1 ILE 254 H -0.01 0.36 -0.36 -0.55 8.25 7.69 3k7xA1 ILE 254 HA -0.10 0.17 0.80 -0.75 4.18 4.30 3k7xA1 ILE 254 HB -0.08 -0.04 0.12 -0.04 1.89 1.84 3k7xA1 ILE 254 HG12 0.01 0.11 -0.09 -0.04 1.49 1.49 3k7xA1 ILE 254 HG13 -0.03 0.01 -0.35 -0.04 1.21 0.81 3k7xA1 ILE 254 HG23 0.13 0.02 -0.22 -0.04 0.93 0.82 3k7xA1 ILE 254 HD13 0.05 -0.02 -0.05 -0.04 0.88 0.82 3k7xA1 PHE 255 H -0.09 0.13 0.15 -0.55 8.34 7.98 3k7xA1 PHE 255 HA -0.10 0.13 0.75 -0.75 4.62 4.64 3k7xA1 PHE 255 HB2 -0.33 -0.05 0.15 -0.04 3.15 2.88 3k7xA1 PHE 255 HB3 -0.19 0.13 0.04 -0.04 3.06 3.01 3k7xA1 PHE 255 HD2 -0.19 0.10 -0.01 -0.04 7.28 7.14 3k7xA1 PHE 255 HE2 -0.54 0.01 -0.12 -0.04 7.38 6.69 3k7xA1 PHE 255 HZ -1.52 -0.02 -0.14 -0.04 7.32 5.60 3k7xA1 LYS 256 H 0.04 0.58 0.36 -0.55 8.42 8.84 3k7xA1 LYS 256 HA -0.00 0.01 0.45 -0.75 4.32 4.02 3k7xA1 LYS 256 HB2 0.03 0.06 0.04 -0.04 1.87 1.96 3k7xA1 LYS 256 HB3 0.01 -0.08 0.12 -0.04 1.79 1.79 3k7xA1 LYS 256 HG2 -0.02 -0.06 -0.12 -0.04 1.46 1.22 3k7xA1 LYS 256 HG3 -0.02 0.14 -0.24 -0.04 1.46 1.29 3k7xA1 LYS 256 HD2 0.00 0.02 -0.02 -0.04 1.69 1.65 3k7xA1 LYS 256 HD3 -0.01 -0.09 -0.04 -0.04 1.68 1.50 3k7xA1 LYS 256 HE2 -0.03 -0.04 -0.25 -0.04 2.99 2.63 3k7xA1 LYS 256 HE3 -0.04 0.03 -0.41 -0.04 2.99 2.52 3k7xA1 ASP 257 H 0.01 0.05 0.17 -0.55 8.40 8.09 3k7xA1 ASP 257 HA -0.02 0.12 0.46 -0.75 4.63 4.43 3k7xA1 ASP 257 HB2 0.01 -0.02 0.11 -0.04 2.71 2.77 3k7xA1 ASP 257 HB3 -0.00 -0.13 0.06 -0.04 2.70 2.58 3k7xA1 GLU 258 H -0.01 0.16 0.19 -0.55 8.60 8.40 3k7xA1 GLU 258 HA 0.12 0.27 0.93 -0.75 4.29 4.86 3k7xA1 GLU 258 HB2 0.02 -0.01 0.09 -0.04 2.09 2.15 3k7xA1 GLU 258 HB3 0.40 -0.06 0.22 -0.04 1.99 2.51 3k7xA1 GLU 258 HG2 0.16 0.16 -0.05 -0.04 2.34 2.56 3k7xA1 GLU 258 HG3 0.05 0.18 -0.07 -0.04 2.34 2.45 3k7xA1 GLY 259 H -0.01 0.10 -0.01 -0.55 8.43 7.97 3k7xA1 GLY 259 HA2 -0.00 0.03 0.33 -0.51 4.01 3.86 3k7xA1 GLY 259 HA3 -0.04 0.15 0.87 -0.51 4.01 4.48 3k7xA1 ASN 260 H -0.02 0.14 0.15 -0.55 8.53 8.25 3k7xA1 ASN 260 HA -0.02 0.26 0.71 -0.75 4.76 4.95 3k7xA1 GLY 261 H -0.06 -0.03 -0.26 -0.55 8.43 7.53 3k7xA1 GLY 261 HA2 0.04 0.13 0.50 -0.51 4.01 4.16 3k7xA1 GLY 261 HA3 -0.03 -0.04 0.28 -0.51 4.01 3.71 3k7xA1 GLY 262 H 0.16 0.13 0.17 -0.55 8.43 8.34 3k7xA1 GLY 262 HA2 0.09 0.21 0.44 -0.51 4.01 4.24 3k7xA1 GLY 262 HA3 0.37 0.05 0.37 -0.51 4.01 4.29 3k7xA1 ASP 263 H 0.20 0.09 -0.01 -0.55 8.40 8.14 3k7xA1 ASP 263 HA 0.35 0.07 0.35 -0.75 4.63 4.65 3k7xA1 ASP 263 HB2 0.07 -0.01 0.04 -0.04 2.71 2.76 3k7xA1 ASP 263 HB3 0.39 0.04 -0.04 -0.04 2.70 3.05 3k7xA1 GLU 264 H -0.44 0.09 -0.43 -0.55 8.60 7.28 3k7xA1 GLU 264 HA -2.76 -0.03 0.30 -0.75 4.29 1.04 3k7xA1 GLU 264 HB2 -0.41 0.25 -0.16 -0.04 2.09 1.73 3k7xA1 GLU 264 HB3 -0.58 -0.01 -0.07 -0.04 1.99 1.30 3k7xA1 GLU 264 HG2 -0.33 0.30 -0.04 -0.04 2.34 2.23 3k7xA1 GLU 264 HG3 -0.86 -0.08 -0.03 -0.04 2.34 1.34 3k7xA1 GLY 265 H -0.45 0.44 -0.49 -0.55 8.43 7.38 3k7xA1 GLY 265 HA2 -0.28 0.10 0.33 -0.51 4.01 3.65 3k7xA1 GLY 265 HA3 -0.40 0.02 0.20 -0.51 4.01 3.32 3k7xA1 LEU 266 H -0.59 0.43 -0.32 -0.55 8.37 7.34 3k7xA1 LEU 266 HA -0.39 0.30 0.62 -0.75 4.35 4.12 3k7xA1 LEU 266 HB2 -0.91 0.02 0.11 -0.04 1.64 0.82 3k7xA1 LEU 266 HB3 -0.53 -0.05 -0.05 -0.04 1.64 0.97 3k7xA1 LEU 266 HG -0.82 0.11 0.12 -0.04 1.64 1.01 3k7xA1 LEU 266 HD13 -1.46 -0.01 0.03 -0.04 0.93 -0.55 3k7xA1 LEU 266 HD23 -0.56 -0.01 0.04 -0.04 0.89 0.33 3k7xA1 PHE 267 H -0.29 0.40 -0.24 -0.55 8.34 7.65 3k7xA1 PHE 267 HA -0.28 -0.00 0.35 -0.75 4.62 3.93 3k7xA1 PHE 267 HB2 -0.23 0.28 0.21 -0.04 3.15 3.36 3k7xA1 PHE 267 HB3 -0.14 -0.30 0.08 -0.04 3.06 2.66 3k7xA1 PHE 267 HD2 -0.48 -0.01 -0.01 -0.04 7.28 6.73 3k7xA1 PHE 267 HE2 -1.25 0.03 -0.09 -0.04 7.38 6.04 3k7xA1 PHE 267 HZ -0.56 -0.02 -0.11 -0.04 7.32 6.59 3k7xA1 LYS 268 H -0.05 0.33 -0.09 -0.55 8.42 8.06 3k7xA1 LYS 268 HA -0.13 -0.04 0.45 -0.75 4.32 3.85 3k7xA1 LYS 268 HB2 -0.24 0.03 0.07 -0.04 1.87 1.68 3k7xA1 LYS 268 HB3 -0.39 -0.01 0.09 -0.04 1.79 1.44 3k7xA1 LYS 268 HG2 -0.13 0.02 0.03 -0.04 1.46 1.35 3k7xA1 LYS 268 HG3 -0.00 0.09 -0.11 -0.04 1.46 1.39 3k7xA1 LYS 268 HD2 -0.81 0.01 -0.02 -0.04 1.69 0.83 3k7xA1 LYS 268 HD3 -0.34 -0.05 0.01 -0.04 1.68 1.26 3k7xA1 LYS 268 HE2 -0.16 0.13 -0.04 -0.04 2.99 2.88 3k7xA1 LYS 268 HE3 -0.69 0.00 -0.00 -0.04 2.99 2.26 3k7xA1 GLY 269 H 0.02 0.24 -0.31 -0.55 8.43 7.83 3k7xA1 GLY 269 HA2 0.21 0.18 0.48 -0.51 4.01 4.37 3k7xA1 GLY 269 HA3 0.03 0.11 0.35 -0.51 4.01 3.99 3k7xA1 ILE 270 H 0.05 0.37 -0.16 -0.55 8.25 7.97 3k7xA1 ILE 270 HA 0.16 0.07 0.40 -0.75 4.18 4.06 3k7xA1 ILE 270 HB 0.24 0.06 0.15 -0.04 1.89 2.30 3k7xA1 ILE 270 HG12 -0.14 0.00 0.01 -0.04 1.49 1.32 3k7xA1 ILE 270 HG13 -0.22 0.18 0.06 -0.04 1.21 1.18 3k7xA1 ILE 270 HG23 0.53 -0.02 -0.06 -0.04 0.93 1.34 3k7xA1 ILE 270 HD13 -0.39 -0.03 -0.06 -0.04 0.88 0.36 3k7xA1 PHE 271 H 0.26 0.30 -0.27 -0.55 8.34 8.08 3k7xA1 PHE 271 HA 0.15 -0.08 0.41 -0.75 4.62 4.35 3k7xA1 PHE 271 HB2 -0.13 -0.08 -0.12 -0.04 3.15 2.78 3k7xA1 PHE 271 HB3 -0.29 0.18 0.11 -0.04 3.06 3.03 3k7xA1 PHE 271 HD2 -0.32 0.07 -0.11 -0.04 7.28 6.87 3k7xA1 PHE 271 HE2 -0.65 0.03 -0.11 -0.04 7.38 6.60 3k7xA1 PHE 271 HZ -0.61 0.05 -0.04 -0.04 7.32 6.68 3k7xA1 TYR 272 H 0.40 0.63 -0.12 -0.55 8.29 8.64 3k7xA1 TYR 272 HA 0.32 -0.04 0.35 -0.75 4.56 4.43 3k7xA1 TYR 272 HB2 0.18 0.15 0.14 -0.04 3.06 3.49 3k7xA1 TYR 272 HB3 0.18 0.06 -0.07 -0.04 2.98 3.11 3k7xA1 TYR 272 HD2 0.23 0.18 0.00 -0.04 7.15 7.52 3k7xA1 TYR 272 HE2 0.05 -0.04 0.00 -0.04 6.85 6.82 3k7xA1 ARG 273 H 0.13 0.39 -0.38 -0.55 8.46 8.05 3k7xA1 ARG 273 HA 0.02 0.10 0.37 -0.75 4.34 4.08 3k7xA1 ARG 273 HB2 -0.03 0.08 0.06 -0.04 1.90 1.97 3k7xA1 ARG 273 HB3 -0.32 0.07 0.12 -0.04 1.80 1.63 3k7xA1 ARG 273 HG2 -0.55 -0.04 -0.30 -0.04 1.67 0.74 3k7xA1 ARG 273 HG3 -0.10 0.02 -0.03 -0.04 1.67 1.52 3k7xA1 ARG 273 HD2 -0.31 -0.03 -0.04 -0.04 3.22 2.79 3k7xA1 ARG 273 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.06 3k7xA1 TYR 274 H -0.07 0.40 -0.04 -0.55 8.29 8.03 3k7xA1 TYR 274 HA 0.09 0.07 0.56 -0.75 4.56 4.52 3k7xA1 TYR 274 HB2 0.01 0.05 0.11 -0.04 3.06 3.18 3k7xA1 TYR 274 HB3 0.04 -0.08 0.07 -0.04 2.98 2.97 3k7xA1 TYR 274 HD2 0.15 0.03 -0.08 -0.04 7.15 7.22 3k7xA1 TYR 274 HE2 0.32 -0.01 -0.05 -0.04 6.85 7.08 3k7xA1 PHE 275 H -0.02 0.66 -0.15 -0.55 8.34 8.28 3k7xA1 PHE 275 HA -0.22 -0.01 0.43 -0.75 4.62 4.07 3k7xA1 PHE 275 HB2 -1.25 0.02 0.02 -0.04 3.15 1.90 3k7xA1 PHE 275 HB3 -0.26 0.11 0.06 -0.04 3.06 2.93 3k7xA1 PHE 275 HD2 -0.07 0.03 -0.04 -0.04 7.28 7.16 3k7xA1 PHE 275 HE2 -0.22 0.02 -0.04 -0.04 7.38 7.09 3k7xA1 PHE 275 HZ -0.37 -0.07 -0.01 -0.04 7.32 6.82 3k7xA1 THR 276 H 0.08 0.53 -0.34 -0.55 8.28 8.00 3k7xA1 THR 276 HA -0.07 -0.02 0.40 -0.75 4.39 3.94 3k7xA1 THR 276 HB 0.06 0.21 0.12 -0.04 4.32 4.68 3k7xA1 THR 276 HG23 0.06 -0.03 -0.11 -0.04 1.22 1.10 3k7xA1 ASP 277 H 0.04 0.27 -0.39 -0.55 8.40 7.77 3k7xA1 ASP 277 HA 0.03 0.06 0.40 -0.75 4.63 4.36 3k7xA1 ASP 277 HB2 0.15 0.18 0.13 -0.04 2.71 3.13 3k7xA1 ASP 277 HB3 0.11 -0.04 -0.03 -0.04 2.70 2.69 3k7xA1 LEU 278 H -0.00 0.41 -0.29 -0.55 8.37 7.94 3k7xA1 LEU 278 HA 0.03 0.03 0.38 -0.75 4.35 4.03 3k7xA1 LEU 278 HB2 0.04 0.03 0.08 -0.04 1.64 1.74 3k7xA1 LEU 278 HB3 -0.09 0.18 0.12 -0.04 1.64 1.81 3k7xA1 LEU 278 HG 0.08 -0.06 -0.20 -0.04 1.64 1.41 3k7xA1 LEU 278 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.90 3k7xA1 LEU 278 HD23 0.17 -0.00 -0.10 -0.04 0.89 0.92 3k7xA1 ILE 279 H -0.14 0.48 -0.25 -0.55 8.25 7.78 3k7xA1 ILE 279 HA -0.02 -0.12 0.40 -0.75 4.18 3.68 3k7xA1 ILE 279 HB -0.07 0.22 0.14 -0.04 1.89 2.14 3k7xA1 ILE 279 HG12 -0.16 -0.16 -0.10 -0.04 1.49 1.03 3k7xA1 ILE 279 HG13 -0.59 0.26 0.01 -0.04 1.21 0.85 3k7xA1 ILE 279 HG23 0.02 0.01 -0.15 -0.04 0.93 0.77 3k7xA1 ILE 279 HD13 -0.17 -0.00 -0.20 -0.04 0.88 0.46 3k7xA1 GLU 280 H 0.01 0.55 -0.19 -0.55 8.60 8.43 3k7xA1 GLU 280 HA 0.15 0.04 0.42 -0.75 4.29 4.15 3k7xA1 GLU 280 HB2 -0.06 0.09 0.09 -0.04 2.09 2.17 3k7xA1 GLU 280 HB3 -0.13 -0.03 -0.01 -0.04 1.99 1.78 3k7xA1 GLU 280 HG2 0.16 -0.05 -0.03 -0.04 2.34 2.38 3k7xA1 GLU 280 HG3 0.06 0.25 0.05 -0.04 2.34 2.66 3k7xA1 GLU 281 H 0.03 0.41 -0.29 -0.55 8.60 8.20 3k7xA1 GLU 281 HA 0.18 0.07 0.47 -0.75 4.29 4.25 3k7xA1 GLU 281 HB2 0.08 0.01 0.06 -0.04 2.09 2.20 3k7xA1 GLU 281 HB3 0.05 0.04 0.15 -0.04 1.99 2.19 3k7xA1 GLU 281 HG2 0.12 -0.07 -0.04 -0.04 2.34 2.31 3k7xA1 GLU 281 HG3 0.05 -0.02 -0.22 -0.04 2.34 2.11 3k7xA1 THR 282 H 0.05 0.43 -0.13 -0.55 8.28 8.07 3k7xA1 THR 282 HA 0.01 0.22 0.86 -0.75 4.39 4.72 3k7xA1 THR 282 HB -0.02 -0.07 0.05 -0.04 4.32 4.24 3k7xA1 THR 282 HG23 -0.01 0.00 -0.07 -0.04 1.22 1.11 3k7xA1 ALA 283 H 0.08 0.58 -0.03 -0.55 8.40 8.49 3k7xA1 ALA 283 HA 0.08 0.09 0.29 -0.75 4.34 4.05 3k7xA1 ALA 283 HB3 0.09 0.04 0.03 -0.04 1.41 1.54 3k7xA1 ASN 284 H 0.00 0.15 -0.19 -0.55 8.53 7.94 3k7xA1 ASN 284 HA -0.08 0.11 0.52 -0.75 4.76 4.56 3k7xA1 ASN 284 HB2 -0.14 0.13 0.02 -0.04 2.88 2.85 3k7xA1 ASN 284 HB3 -0.09 -0.03 0.14 -0.04 2.79 2.77 3k7xA1 ASN 284 HD21 -0.85 0.01 -0.01 -0.04 7.03 6.14 3k7xA1 ASN 284 HD22 -0.46 0.10 -0.01 -0.04 7.74 7.33 3k7xA1 LYS 285 H -0.01 0.29 0.24 -0.55 8.42 8.39 3k7xA1 LYS 285 HA 0.06 0.13 0.44 -0.75 4.32 4.19 3k7xA1 LYS 285 HB2 0.03 -0.01 0.10 -0.04 1.87 1.94 3k7xA1 LYS 285 HB3 0.05 0.01 0.08 -0.04 1.79 1.89 3k7xA1 LYS 285 HG2 0.03 0.17 0.12 -0.04 1.46 1.74 3k7xA1 LYS 285 HG3 0.04 0.00 0.05 -0.04 1.46 1.51 3k7xA1 LYS 285 HD2 0.06 -0.01 -0.02 -0.04 1.69 1.68 3k7xA1 LYS 285 HD3 0.05 -0.08 -0.27 -0.04 1.68 1.34 3k7xA1 LYS 285 HE2 0.06 0.18 0.01 -0.04 2.99 3.20 3k7xA1 LYS 285 HE3 0.07 -0.02 0.00 -0.04 2.99 3.00 3k7xA1 THR 286 H -0.03 0.10 -0.14 -0.55 8.28 7.66 3k7xA1 THR 286 HA 0.11 0.14 0.48 -0.75 4.39 4.37 3k7xA1 THR 286 HB -0.10 -0.03 0.05 -0.04 4.32 4.20 3k7xA1 THR 286 HG23 0.17 0.02 -0.11 -0.04 1.22 1.26 3k7xA1 TYR 287 H 0.04 0.09 -0.22 -0.55 8.29 7.64 3k7xA1 TYR 287 HA 0.34 0.08 0.40 -0.75 4.56 4.63 3k7xA1 TYR 287 HB2 -0.08 0.09 0.05 -0.04 3.06 3.08 3k7xA1 TYR 287 HB3 -0.34 0.05 -0.03 -0.04 2.98 2.62 3k7xA1 TYR 287 HD2 0.06 -0.00 -0.15 -0.04 7.15 7.01 3k7xA1 TYR 287 HE2 0.10 0.03 -0.06 -0.04 6.85 6.88 3k7xA1 ARG 288 H 0.15 0.33 -0.27 -0.55 8.46 8.11 3k7xA1 ARG 288 HA 0.11 0.06 0.40 -0.75 4.34 4.15 3k7xA1 ARG 288 HB2 0.07 0.06 0.03 -0.04 1.90 2.03 3k7xA1 ARG 288 HB3 0.09 0.02 0.13 -0.04 1.80 2.00 3k7xA1 ARG 288 HG2 0.08 -0.04 -0.25 -0.04 1.67 1.43 3k7xA1 ARG 288 HG3 0.06 -0.00 0.00 -0.04 1.67 1.69 3k7xA1 ARG 288 HD2 0.06 0.03 -0.05 -0.04 3.22 3.22 3k7xA1 ARG 288 HD3 0.07 -0.03 -0.03 -0.04 3.22 3.19 3k7xA1 ASP 289 H 0.17 0.48 -0.27 -0.55 8.40 8.23 3k7xA1 ASP 289 HA 0.12 0.02 0.42 -0.75 4.63 4.44 3k7xA1 ASP 289 HB2 0.16 0.11 0.15 -0.04 2.71 3.09 3k7xA1 ASP 289 HB3 0.13 -0.06 0.03 -0.04 2.70 2.76 3k7xA1 PHE 290 H 0.39 0.36 -0.30 -0.55 8.34 8.24 3k7xA1 PHE 290 HA 0.13 0.01 0.39 -0.75 4.62 4.40 3k7xA1 PHE 290 HB2 0.20 -0.01 0.08 -0.04 3.15 3.37 3k7xA1 PHE 290 HB3 0.34 0.14 0.12 -0.04 3.06 3.62 3k7xA1 PHE 290 HD2 0.11 0.00 -0.12 -0.04 7.28 7.23 3k7xA1 PHE 290 HE2 -0.18 -0.07 -0.19 -0.04 7.38 6.90 3k7xA1 PHE 290 HZ -0.79 -0.06 -0.26 -0.04 7.32 6.17 3k7xA1 VAL 291 H 0.38 0.42 -0.22 -0.55 8.24 8.27 3k7xA1 VAL 291 HA 0.37 0.03 0.44 -0.75 4.13 4.22 3k7xA1 VAL 291 HB 0.17 0.12 0.20 -0.04 2.12 2.57 3k7xA1 VAL 291 HG13 0.15 -0.01 -0.05 -0.04 0.97 1.02 3k7xA1 VAL 291 HG23 0.58 0.02 0.03 -0.04 0.95 1.54 3k7xA1 LEU 292 H 0.03 0.45 -0.02 -0.55 8.37 8.29 3k7xA1 LEU 292 HA -0.49 0.05 0.43 -0.75 4.35 3.59 3k7xA1 LEU 292 HB2 0.05 0.06 0.17 -0.04 1.64 1.88 3k7xA1 LEU 292 HB3 0.15 -0.03 -0.03 -0.04 1.64 1.69 3k7xA1 LEU 292 HG 0.01 -0.04 0.02 -0.04 1.64 1.59 3k7xA1 LEU 292 HD13 -0.29 0.04 0.02 -0.04 0.93 0.67 3k7xA1 LEU 292 HD23 0.13 0.00 -0.06 -0.04 0.89 0.92 3k7xA1 ASN 293 H 0.02 0.76 -0.08 -0.55 8.53 8.69 3k7xA1 ASN 293 HA 0.09 0.00 0.49 -0.75 4.76 4.59 3k7xA1 ASN 293 HB2 0.00 0.10 0.14 -0.04 2.88 3.08 3k7xA1 ASN 293 HB3 0.04 -0.05 0.04 -0.04 2.79 2.77 3k7xA1 ASN 293 HD21 0.09 -0.07 -0.03 -0.04 7.03 6.98 3k7xA1 ASN 293 HD22 0.09 -0.03 -0.06 -0.04 7.74 7.70 3k7xA1 SER 294 H -0.15 0.57 -0.13 -0.55 8.46 8.21 3k7xA1 SER 294 HA 0.03 0.10 0.57 -0.75 4.49 4.43 3k7xA1 SER 294 HB2 0.21 -0.15 0.16 -0.04 3.95 4.13 3k7xA1 SER 294 HB3 -0.56 0.13 0.24 -0.04 3.93 3.70 3k7xA1 CYS 295 H -0.11 0.52 -0.15 -0.55 8.50 8.21 3k7xA1 CYS 295 HA -0.36 0.03 0.47 -0.75 4.58 3.97 3k7xA1 CYS 295 HB2 -0.78 0.10 0.15 -0.04 2.97 2.40 3k7xA1 CYS 295 HB3 -0.72 -0.08 0.01 -0.04 2.97 2.14 3k7xA1 GLN 296 H 0.06 0.35 -0.37 -0.55 8.47 7.97 3k7xA1 GLN 296 HA 0.30 -0.00 0.42 -0.75 4.36 4.32 3k7xA1 GLN 296 HB2 0.32 0.06 0.13 -0.04 2.15 2.62 3k7xA1 GLN 296 HB3 0.12 0.19 0.16 -0.04 2.02 2.45 3k7xA1 GLN 296 HG2 0.11 -0.05 -0.01 -0.04 2.40 2.41 3k7xA1 GLN 296 HG3 0.08 0.01 -0.14 -0.04 2.39 2.29 3k7xA1 GLN 296 HE21 -0.10 -0.03 -0.02 -0.04 6.97 6.78 3k7xA1 GLN 296 HE22 0.26 0.03 -0.00 -0.04 7.69 7.94 3k7xA1 ILE 297 H 0.06 0.38 -0.24 -0.55 8.25 7.91 3k7xA1 ILE 297 HA 0.04 -0.00 0.39 -0.75 4.18 3.85 3k7xA1 ILE 297 HB 0.15 0.15 0.10 -0.04 1.89 2.25 3k7xA1 ILE 297 HG12 0.06 -0.07 0.01 -0.04 1.49 1.44 3k7xA1 ILE 297 HG13 0.06 0.12 0.09 -0.04 1.21 1.44 3k7xA1 ILE 297 HG23 0.11 0.02 -0.25 -0.04 0.93 0.77 3k7xA1 ILE 297 HD13 0.05 -0.01 -0.03 -0.04 0.88 0.85 3k7xA1 LEU 298 H -0.05 0.35 -0.24 -0.55 8.37 7.88 3k7xA1 LEU 298 HA -0.18 0.22 0.42 -0.75 4.35 4.07 3k7xA1 LEU 298 HB2 -1.11 -0.02 0.12 -0.04 1.64 0.59 3k7xA1 LEU 298 HB3 -0.57 0.08 0.21 -0.04 1.64 1.33 3k7xA1 LEU 298 HG -0.53 -0.04 -0.23 -0.04 1.64 0.80 3k7xA1 LEU 298 HD13 -1.15 0.01 -0.04 -0.04 0.93 -0.30 3k7xA1 LEU 298 HD23 -1.26 -0.03 0.01 -0.04 0.89 -0.42 3k7xA1 VAL 299 H -0.19 0.60 -0.07 -0.55 8.24 8.02 3k7xA1 VAL 299 HA -0.19 0.00 0.37 -0.75 4.13 3.55 3k7xA1 VAL 299 HB -0.55 -0.07 0.02 -0.04 2.12 1.48 3k7xA1 VAL 299 HG13 -0.63 0.02 0.02 -0.04 0.97 0.35 3k7xA1 VAL 299 HG23 -0.17 0.05 0.07 -0.04 0.95 0.85 3k7xA1 GLU 300 H -0.05 0.45 -0.38 -0.55 8.60 8.07 3k7xA1 GLU 300 HA -0.01 -0.02 0.53 -0.75 4.29 4.04 3k7xA1 GLU 300 HB2 0.01 0.14 0.09 -0.04 2.09 2.29 3k7xA1 GLU 300 HB3 0.01 -0.11 0.12 -0.04 1.99 1.97 3k7xA1 GLU 300 HG2 0.01 -0.12 0.02 -0.04 2.34 2.20 3k7xA1 GLU 300 HG3 0.00 0.50 0.12 -0.04 2.34 2.92 3k7xA1 ASN 301 H -0.04 0.36 -0.40 -0.55 8.53 7.90 3k7xA1 ASN 301 HA 0.00 0.07 1.00 -0.75 4.76 5.08 3k7xA1 ASN 301 HB2 0.01 0.34 0.03 -0.04 2.88 3.22 3k7xA1 ASN 301 HB3 0.02 -0.05 -0.23 -0.04 2.79 2.49 3k7xA1 ASN 301 HD21 0.04 -0.25 -0.01 -0.04 7.03 6.77 3k7xA1 ASN 301 HD22 0.04 0.44 0.08 -0.04 7.74 8.26 3k7xA1 ALA 302 H -0.07 0.33 0.16 -0.55 8.40 8.27 3k7xA1 ALA 302 HA -0.04 0.29 0.82 -0.75 4.34 4.66 3k7xA1 ALA 302 HB3 -0.12 -0.05 0.03 -0.04 1.41 1.23 3k7xA1 LYS 303 H -0.00 0.11 -0.33 -0.55 8.42 7.64 3k7xA1 LYS 303 HA 0.05 0.27 0.49 -0.75 4.32 4.38 3k7xA1 LYS 303 HB2 0.02 -0.00 0.01 -0.04 1.87 1.86 3k7xA1 LYS 303 HB3 0.04 -0.17 -0.04 -0.04 1.79 1.57 3k7xA1 LYS 303 HG2 0.02 0.19 0.01 -0.04 1.46 1.63 3k7xA1 LYS 303 HG3 0.03 -0.09 -0.01 -0.04 1.46 1.35 3k7xA1 LYS 303 HD2 0.05 -0.02 -0.14 -0.04 1.69 1.53 3k7xA1 LYS 303 HD3 0.11 0.03 -0.02 -0.04 1.68 1.75 3k7xA1 LYS 303 HE2 0.04 -0.06 -0.14 -0.04 2.99 2.80 3k7xA1 LYS 303 HE3 0.07 0.02 -0.25 -0.04 2.99 2.79 3k7xA1 LEU 304 H 0.12 0.54 0.12 -0.55 8.37 8.61 3k7xA1 LEU 304 HA 0.08 0.04 0.62 -0.75 4.35 4.34 3k7xA1 LEU 304 HB2 0.02 0.20 -0.11 -0.04 1.64 1.70 3k7xA1 LEU 304 HB3 0.11 0.01 -0.08 -0.04 1.64 1.64 3k7xA1 LEU 304 HG 0.42 -0.04 -0.14 -0.04 1.64 1.84 3k7xA1 LEU 304 HD13 0.14 -0.01 -0.14 -0.04 0.93 0.88 3k7xA1 LEU 304 HD23 -0.10 0.01 -0.07 -0.04 0.89 0.69 3k7xA1 ASP 305 H 0.09 0.18 0.07 -0.55 8.40 8.19 3k7xA1 ASP 305 HA 0.07 0.01 0.32 -0.75 4.63 4.29 3k7xA1 ASP 305 HB2 0.15 0.15 -0.26 -0.04 2.71 2.71 3k7xA1 ASP 305 HB3 0.11 0.01 0.24 -0.04 2.70 3.02 3k7xA1 GLY 306 H 0.06 0.06 -0.21 -0.55 8.43 7.79 3k7xA1 GLY 306 HA2 -0.05 -0.01 0.29 -0.51 4.01 3.72 3k7xA1 GLY 306 HA3 -0.09 0.11 0.54 -0.51 4.01 4.06 3k7xA1 TYR 307 H 0.25 0.40 -0.54 -0.55 8.29 7.85 3k7xA1 TYR 307 HA 0.05 0.19 0.85 -0.75 4.56 4.89 3k7xA1 TYR 307 HB2 0.08 0.14 -0.02 -0.04 3.06 3.23 3k7xA1 TYR 307 HB3 0.11 -0.09 0.11 -0.04 2.98 3.08 3k7xA1 TYR 307 HD2 -0.05 0.11 -0.09 -0.04 7.15 7.08 3k7xA1 TYR 307 HE2 -0.07 -0.04 -0.06 -0.04 6.85 6.64 3k7xA1 LEU 308 H 0.33 0.17 0.09 -0.55 8.37 8.41 3k7xA1 LEU 308 HA 0.08 0.40 0.95 -0.75 4.35 5.02 3k7xA1 LEU 308 HB2 0.09 -0.05 0.08 -0.04 1.64 1.72 3k7xA1 LEU 308 HB3 -0.01 0.06 -0.06 -0.04 1.64 1.58 3k7xA1 LEU 308 HG 0.10 -0.09 -0.37 -0.04 1.64 1.25 3k7xA1 LEU 308 HD13 0.09 -0.02 -0.09 -0.04 0.93 0.87 3k7xA1 LEU 308 HD23 0.01 0.03 -0.21 -0.04 0.89 0.69 3k7xA1 LEU 309 H -0.07 0.82 0.16 -0.55 8.37 8.75 3k7xA1 LEU 309 HA -0.28 0.12 0.61 -0.75 4.35 4.04 3k7xA1 LEU 309 HB2 -1.13 -0.05 -0.10 -0.04 1.64 0.31 3k7xA1 LEU 309 HB3 -0.30 0.09 0.05 -0.04 1.64 1.44 3k7xA1 LEU 309 HG -0.19 0.05 -0.10 -0.04 1.64 1.36 3k7xA1 LEU 309 HD13 -0.57 -0.00 -0.03 -0.04 0.93 0.29 3k7xA1 LEU 309 HD23 -0.32 -0.01 -0.10 -0.04 0.89 0.43 3k7xA1 GLY 311 HA2 0.04 -0.13 0.05 -0.51 4.01 3.46 3k7xA1 GLY 311 HA3 0.05 0.06 0.04 -0.51 4.01 3.65 3k7xA1 ASN 313 HA 0.02 -0.07 0.36 -0.75 4.76 4.32 3k7xA1 ASN 313 HB2 0.03 -0.06 0.12 -0.04 2.88 2.93 3k7xA1 ASN 313 HB3 0.06 0.05 0.11 -0.04 2.79 2.98 3k7xA1 ASN 313 HD21 0.03 0.02 -0.01 -0.04 7.03 7.03 3k7xA1 ASN 313 HD22 0.02 -0.03 0.04 -0.04 7.74 7.72 3k7xA1 TRP 314 H 0.16 0.05 0.14 -0.55 7.97 7.77 3k7xA1 TRP 314 HA -0.02 0.27 0.27 -0.75 4.62 4.39 3k7xA1 TRP 314 HB2 0.01 -0.11 0.07 -0.04 3.23 3.16 3k7xA1 TRP 314 HB3 -0.02 0.00 -0.05 -0.04 3.23 3.12 3k7xA1 TRP 314 HD1 -0.02 0.25 -0.05 -0.04 7.22 7.35 3k7xA1 TRP 314 HE1 -0.06 0.05 -0.04 -0.04 10.20 10.11 3k7xA1 TRP 314 HE3 -0.04 0.13 0.00 -0.04 7.59 7.64 3k7xA1 TRP 314 HZ2 -0.18 0.02 -0.22 -0.04 7.44 7.02 3k7xA1 TRP 314 HZ3 -0.18 -0.05 -0.18 -0.04 7.13 6.68 3k7xA1 TRP 314 HH2 -0.97 -0.02 -0.04 -0.04 7.19 6.13 3k7xA1 LYS 315 H 0.15 -0.08 -0.32 -0.55 8.42 7.62 3k7xA1 LYS 315 HA 0.10 0.17 0.48 -0.75 4.32 4.32 3k7xA1 LYS 315 HB2 0.08 -0.01 -0.00 -0.04 1.87 1.90 3k7xA1 LYS 315 HB3 0.07 -0.08 -0.00 -0.04 1.79 1.73 3k7xA1 LYS 315 HG2 0.04 -0.07 -0.06 -0.04 1.46 1.34 3k7xA1 LYS 315 HG3 0.04 -0.00 -0.26 -0.04 1.46 1.20 3k7xA1 LYS 315 HD2 0.05 0.13 0.08 -0.04 1.69 1.91 3k7xA1 LYS 315 HD3 0.05 -0.00 0.00 -0.04 1.68 1.69 3k7xA1 LYS 315 HE2 0.03 -0.06 -0.02 -0.04 2.99 2.91 3k7xA1 LYS 315 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.93 3k7xA1 GLU 316 H 0.08 0.02 -0.25 -0.55 8.60 7.90 3k7xA1 GLU 316 HA 0.04 -0.03 0.48 -0.75 4.29 4.02 3k7xA1 GLU 316 HB2 0.05 0.17 -0.02 -0.04 2.09 2.25 3k7xA1 GLU 316 HB3 0.03 0.00 0.04 -0.04 1.99 2.02 3k7xA1 GLU 316 HG2 0.03 -0.05 -0.03 -0.04 2.34 2.25 3k7xA1 GLU 316 HG3 0.05 -0.09 -0.00 -0.04 2.34 2.25 3k7xA1 LYS 317 H 0.02 -0.08 0.14 -0.55 8.42 7.95 3k7xA1 LYS 317 HA 0.01 0.42 0.55 -0.75 4.32 4.55 3k7xA1 LYS 317 HB2 0.02 -0.15 0.07 -0.04 1.87 1.76 3k7xA1 LYS 317 HB3 0.01 0.07 0.10 -0.04 1.79 1.94 3k7xA1 LYS 317 HG2 0.02 -0.10 0.12 -0.04 1.46 1.46 3k7xA1 LYS 317 HG3 0.01 -0.11 0.08 -0.04 1.46 1.40 3k7xA1 LYS 317 HD2 0.01 0.09 0.14 -0.04 1.69 1.88 3k7xA1 LYS 317 HD3 0.01 0.16 0.08 -0.04 1.68 1.89 3k7xA1 LYS 317 HE2 0.01 -0.12 0.07 -0.04 2.99 2.91 3k7xA1 LYS 317 HE3 0.01 0.12 0.13 -0.04 2.99 3.22 3k7xA1 PRO 318 HA -0.00 0.05 0.35 -0.51 4.44 4.33 3k7xA1 PRO 318 HB2 -0.03 -0.13 0.07 -0.04 2.28 2.15 3k7xA1 PRO 318 HB3 -0.07 -0.01 0.00 -0.04 2.02 1.90 3k7xA1 PRO 318 HG2 -0.05 -0.04 -0.00 -0.04 2.03 1.89 3k7xA1 PRO 318 HG3 -0.05 0.38 0.20 -0.04 2.03 2.52 3k7xA1 PRO 318 HD2 -0.00 -0.06 0.21 -0.04 3.68 3.79 3k7xA1 PRO 318 HD3 -0.01 0.61 0.41 -0.04 3.65 4.62 3k7xA1 SER 319 H 0.02 0.25 0.18 -0.55 8.46 8.37 3k7xA1 SER 319 HA 0.01 0.07 0.73 -0.75 4.49 4.54 3k7xA1 SER 319 HB2 0.01 -0.03 -0.02 -0.04 3.95 3.87 3k7xA1 SER 319 HB3 0.01 -0.16 0.05 -0.04 3.93 3.80 3k7xA1 GLY 320 H -0.00 0.05 0.13 -0.55 8.43 8.05 3k7xA1 GLY 320 HA2 -0.02 -0.06 0.35 -0.51 4.01 3.78 3k7xA1 GLY 320 HA3 -0.00 0.04 0.40 -0.51 4.01 3.93 3k7xA1 LYS 321 H -0.01 0.03 0.18 -0.55 8.42 8.06 3k7xA1 LYS 321 HA 0.02 0.21 0.57 -0.75 4.32 4.36 3k7xA1 LYS 321 HB2 -0.08 -0.09 0.12 -0.04 1.87 1.77 3k7xA1 LYS 321 HB3 -0.07 -0.02 0.15 -0.04 1.79 1.80 3k7xA1 LYS 321 HG2 -0.11 -0.03 -0.17 -0.04 1.46 1.11 3k7xA1 LYS 321 HG3 -0.06 0.19 -0.07 -0.04 1.46 1.48 3k7xA1 LYS 321 HD2 -0.21 -0.04 -0.01 -0.04 1.69 1.39 3k7xA1 LYS 321 HD3 -0.52 -0.03 -0.02 -0.04 1.68 1.08 3k7xA1 LYS 321 HE2 -0.36 -0.07 -0.01 -0.04 2.99 2.51 3k7xA1 LYS 321 HE3 -0.81 -0.01 -0.04 -0.04 2.99 2.08 3k7xA1 ILE 322 H 0.19 0.77 0.32 -0.55 8.25 8.98 3k7xA1 ILE 322 HA 0.16 0.19 1.05 -0.75 4.18 4.82 3k7xA1 ILE 322 HB 0.20 0.03 0.15 -0.04 1.89 2.22 3k7xA1 ILE 322 HG12 0.06 -0.02 -0.15 -0.04 1.49 1.34 3k7xA1 ILE 322 HG13 0.08 0.11 -0.38 -0.04 1.21 0.97 3k7xA1 ILE 322 HG23 0.09 0.01 -0.11 -0.04 0.93 0.88 3k7xA1 ILE 322 HD13 0.03 -0.02 -0.16 -0.04 0.88 0.69 3k7xA1 PRO 323 HA -0.15 0.41 0.79 -0.51 4.44 4.99 3k7xA1 PRO 323 HB2 -0.57 -0.14 0.15 -0.04 2.28 1.68 3k7xA1 PRO 323 HB3 -0.09 0.01 0.14 -0.04 2.02 2.04 3k7xA1 PRO 323 HG2 -0.30 -0.21 0.20 -0.04 2.03 1.68 3k7xA1 PRO 323 HG3 -0.09 0.09 0.17 -0.04 2.03 2.15 3k7xA1 PRO 323 HD2 0.04 0.15 0.31 -0.04 3.68 4.14 3k7xA1 PRO 323 HD3 0.23 0.23 0.20 -0.04 3.65 4.27 3k7xA1 TYR 324 H -0.25 0.57 0.30 -0.55 8.29 8.36 3k7xA1 TYR 324 HA -0.72 0.12 0.44 -0.75 4.56 3.65 3k7xA1 TYR 324 HB2 -0.92 -0.01 0.10 -0.04 3.06 2.20 3k7xA1 TYR 324 HB3 -1.94 0.17 0.05 -0.04 2.98 1.21 3k7xA1 TYR 324 HD2 -0.21 0.14 -0.04 -0.04 7.15 6.99 3k7xA1 TYR 324 HE2 0.02 0.00 -0.24 -0.04 6.85 6.59 3k7xA1 SER 325 H -1.33 0.07 -0.50 -0.55 8.46 6.15 3k7xA1 SER 325 HA -1.13 0.07 0.38 -0.75 4.49 3.06 3k7xA1 SER 325 HB2 -1.45 -0.07 -0.02 -0.04 3.95 2.38 3k7xA1 SER 325 HB3 -3.66 -0.06 0.03 -0.04 3.93 0.19 3k7xA1 ALA 326 H -0.46 0.35 -0.19 -0.55 8.40 7.55 3k7xA1 ALA 326 HA -0.20 0.26 0.45 -0.75 4.34 4.09 3k7xA1 ALA 326 HB3 -0.09 0.05 0.12 -0.04 1.41 1.44 3k7xA1 GLU 327 H -0.20 0.12 -0.23 -0.55 8.60 7.75 3k7xA1 GLU 327 HA -0.04 0.10 0.38 -0.75 4.29 3.97 3k7xA1 GLU 327 HB2 -0.01 0.01 0.07 -0.04 2.09 2.12 3k7xA1 GLU 327 HB3 -0.19 0.09 0.12 -0.04 1.99 1.97 3k7xA1 GLU 327 HG2 0.08 -0.05 -0.05 -0.04 2.34 2.28 3k7xA1 GLU 327 HG3 0.00 0.00 -0.12 -0.04 2.34 2.18 3k7xA1 LEU 328 H -0.22 0.46 -0.32 -0.55 8.37 7.74 3k7xA1 LEU 328 HA -0.08 0.04 0.37 -0.75 4.35 3.93 3k7xA1 LEU 328 HB2 -0.33 0.10 0.16 -0.04 1.64 1.53 3k7xA1 LEU 328 HB3 -0.16 -0.07 -0.04 -0.04 1.64 1.33 3k7xA1 LEU 328 HG -0.04 0.16 0.01 -0.04 1.64 1.73 3k7xA1 LEU 328 HD13 -0.16 -0.07 -0.06 -0.04 0.93 0.60 3k7xA1 LEU 328 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.76 3k7xA1 SER 329 H -0.16 0.41 -0.14 -0.55 8.46 8.03 3k7xA1 SER 329 HA -0.02 -0.06 0.47 -0.75 4.49 4.13 3k7xA1 SER 329 HB2 0.11 -0.17 0.05 -0.04 3.95 3.89 3k7xA1 SER 329 HB3 -0.09 -0.12 0.22 -0.04 3.93 3.90 3k7xA1 GLY 330 H -0.02 0.42 -0.43 -0.55 8.43 7.86 3k7xA1 GLY 330 HA2 -0.21 -0.02 0.31 -0.51 4.01 3.58 3k7xA1 GLY 330 HA3 -0.19 0.12 0.21 -0.51 4.01 3.63 3k7xA1 ILE 332 HA 0.02 -0.13 0.32 -0.75 4.18 3.64 3k7xA1 ILE 332 HB 0.04 0.02 0.13 -0.04 1.89 2.04 3k7xA1 ILE 332 HG12 0.05 -0.09 0.03 -0.04 1.49 1.43 3k7xA1 ILE 332 HG13 0.00 0.25 0.11 -0.04 1.21 1.54 3k7xA1 ILE 332 HG23 0.08 0.00 -0.15 -0.04 0.93 0.82 3k7xA1 ILE 332 HD13 0.01 -0.05 -0.16 -0.04 0.88 0.65 3k7xA1 ALA 333 H -0.05 0.64 -0.65 -0.55 8.40 7.80 3k7xA1 ALA 333 HA -0.09 -0.06 0.38 -0.75 4.34 3.82 3k7xA1 ALA 333 HB3 -0.34 0.01 0.10 -0.04 1.41 1.14 3k7xA1 LEU 334 H -0.15 0.59 0.22 -0.55 8.37 8.48 3k7xA1 LEU 334 HA -0.18 0.01 0.44 -0.75 4.35 3.87 3k7xA1 LEU 334 HB2 -0.03 0.04 -0.01 -0.04 1.64 1.60 3k7xA1 LEU 334 HB3 0.06 -0.11 -0.15 -0.04 1.64 1.40 3k7xA1 LEU 334 HG -0.26 0.20 0.09 -0.04 1.64 1.63 3k7xA1 LEU 334 HD13 -0.06 -0.00 -0.07 -0.04 0.93 0.75 3k7xA1 LEU 334 HD23 -0.12 -0.02 -0.02 -0.04 0.89 0.68 3k7xA1 GLU 335 H -0.01 0.21 -0.31 -0.55 8.60 7.95 3k7xA1 GLU 335 HA 0.04 -0.01 0.32 -0.75 4.29 3.89 3k7xA1 GLU 335 HB2 0.03 0.21 0.12 -0.04 2.09 2.41 3k7xA1 GLU 335 HB3 0.04 -0.06 0.07 -0.04 1.99 2.00 3k7xA1 GLU 335 HG2 0.03 0.02 -0.04 -0.04 2.34 2.31 3k7xA1 GLU 335 HG3 0.04 0.03 0.03 -0.04 2.34 2.40 3k7xA1 ALA 337 HA -0.24 -0.11 0.29 -0.75 4.34 3.53 3k7xA1 ALA 337 HB3 -0.78 0.02 0.05 -0.04 1.41 0.66 3k7xA1 ALA 338 H 0.01 0.78 -0.82 -0.55 8.40 7.83 3k7xA1 ALA 338 HA 0.19 -0.17 0.29 -0.75 4.34 3.91 3k7xA1 ALA 338 HB3 0.10 0.05 -0.04 -0.04 1.41 1.48 3k7xA1 LYS 339 H 0.03 0.61 0.28 -0.55 8.42 8.78 3k7xA1 LYS 339 HA 0.01 0.06 0.45 -0.75 4.32 4.08 3k7xA1 LYS 339 HB2 0.07 0.10 0.09 -0.04 1.87 2.09 3k7xA1 LYS 339 HB3 0.06 -0.01 0.01 -0.04 1.79 1.80 3k7xA1 LYS 339 HG2 0.16 -0.04 -0.21 -0.04 1.46 1.33 3k7xA1 LYS 339 HG3 0.23 -0.01 0.01 -0.04 1.46 1.65 3k7xA1 LYS 339 HD2 0.16 -0.02 -0.06 -0.04 1.69 1.72 3k7xA1 LYS 339 HD3 0.11 0.02 -0.04 -0.04 1.68 1.73 3k7xA1 LYS 339 HE2 0.07 0.06 -0.08 -0.04 2.99 3.00 3k7xA1 LYS 339 HE3 0.09 -0.02 -0.12 -0.04 2.99 2.90 3k7xA1 LEU 340 H -0.00 0.19 -0.21 -0.55 8.37 7.81 3k7xA1 LEU 340 HA 0.00 0.01 0.39 -0.75 4.35 4.00 3k7xA1 LEU 340 HB2 -0.03 0.10 0.15 -0.04 1.64 1.81 3k7xA1 LEU 340 HB3 0.00 -0.00 -0.04 -0.04 1.64 1.56 3k7xA1 LEU 340 HG 0.04 -0.06 0.03 -0.04 1.64 1.61 3k7xA1 LEU 340 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.90 3k7xA1 LEU 340 HD23 0.04 0.01 0.04 -0.04 0.89 0.94 3k7xA1 GLU 341 H 0.03 0.52 -0.30 -0.55 8.60 8.30 3k7xA1 GLU 341 HA 0.10 -0.01 0.40 -0.75 4.29 4.03 3k7xA1 GLU 341 HB2 0.32 0.04 0.12 -0.04 2.09 2.53 3k7xA1 GLU 341 HB3 0.13 0.24 0.16 -0.04 1.99 2.48 3k7xA1 GLU 341 HG2 0.08 0.05 -0.08 -0.04 2.34 2.36 3k7xA1 GLU 341 HG3 0.19 -0.01 0.09 -0.04 2.34 2.57 3k7xA1 LEU 342 H -0.12 0.40 -0.37 -0.55 8.37 7.73 3k7xA1 LEU 342 HA -0.11 0.02 0.46 -0.75 4.35 3.97 3k7xA1 LEU 342 HB2 -0.67 0.17 0.11 -0.04 1.64 1.20 3k7xA1 LEU 342 HB3 -0.41 -0.06 0.06 -0.04 1.64 1.19 3k7xA1 LEU 342 HG -0.07 0.16 0.09 -0.04 1.64 1.77 3k7xA1 LEU 342 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 3k7xA1 LEU 342 HD23 -0.03 -0.02 0.01 -0.04 0.89 0.80 3k7xA1 GLU 343 H -0.14 0.38 -0.52 -0.55 8.60 7.78 3k7xA1 GLU 343 HA -0.11 0.04 0.31 -0.75 4.29 3.78 3k7xA1 GLU 343 HB2 -0.11 0.09 -0.02 -0.04 2.09 2.00 3k7xA1 GLU 343 HB3 -0.08 -0.09 0.11 -0.04 1.99 1.89 3k7xA1 GLU 343 HG2 0.01 -0.01 0.01 -0.04 2.34 2.31 3k7xA1 GLU 343 HG3 -0.02 0.24 -0.25 -0.04 2.34 2.26 3k7xA1 HIS 344 H -0.23 0.08 -0.09 -0.55 8.41 7.63 3k7xA1 HIS 344 HA -0.30 0.08 0.45 -0.75 4.63 4.10 3k7xA1 HIS 344 HB2 -0.07 -0.04 0.02 -0.04 3.26 3.13 3k7xA1 HIS 344 HB3 -0.36 0.02 -0.07 -0.04 3.20 2.74 3k7xA1 HIS 344 HD2 -0.11 0.03 -0.05 -0.04 6.97 6.80 3k7xA1 HIS 344 HE1 -0.00 -0.01 -0.00 -0.04 7.75 7.70 3k7xA1 HIS 345 H -0.20 0.14 0.17 -0.55 8.41 7.97 3k7xA1 HIS 345 HA -0.05 0.15 0.92 -0.75 4.63 4.90 3k7xA1 HIS 345 HB2 -0.06 -0.03 0.13 -0.04 3.26 3.25 3k7xA1 HIS 345 HB3 -0.02 -0.01 -0.02 -0.04 3.20 3.10 3k7xA1 HIS 345 HD2 -0.02 -0.06 0.05 -0.04 6.97 6.90 3k7xA1 HIS 345 HE1 0.02 -0.06 -0.02 -0.04 7.75 7.65 3k7xA1 HIS 346 H 0.13 0.14 0.19 -0.55 8.41 8.32 3k7xA1 HIS 346 HA -0.08 0.19 0.96 -0.75 4.63 4.95 3k7xA1 HIS 346 HB2 0.06 0.19 0.06 -0.04 3.26 3.54 3k7xA1 HIS 346 HB3 -0.19 -0.04 0.03 -0.04 3.20 2.96 3k7xA1 HIS 346 HD2 -0.05 -0.01 -0.07 -0.04 6.97 6.80 3k7xA1 HIS 346 HE1 0.10 -0.03 -0.12 -0.04 7.75 7.66 3k7xA1 HIS 347 H 0.19 0.15 0.19 -0.55 8.41 8.40 3k7xA1 HIS 347 HA 0.11 0.12 0.71 -0.75 4.63 4.82 3k7xA1 HIS 347 HB2 0.12 0.02 -0.03 -0.04 3.26 3.32 3k7xA1 HIS 347 HB3 0.10 0.03 0.02 -0.04 3.20 3.31 3k7xA1 HIS 347 HD2 0.08 -0.08 0.07 -0.04 6.97 7.00 3k7xA1 HIS 347 HE1 0.09 -0.06 -0.00 -0.04 7.75 7.73 3k7xA1 HIS 348 H 0.25 0.12 0.03 -0.55 8.41 8.27 3k7xA1 HIS 348 HA 0.03 0.19 0.44 -0.75 4.63 4.54 3k7xA1 HIS 348 HB2 0.03 0.02 0.03 -0.04 3.26 3.30 3k7xA1 HIS 348 HB3 0.05 0.00 0.09 -0.04 3.20 3.30 3k7xA1 HIS 348 HD2 -0.01 0.05 0.06 -0.04 6.97 7.03 3k7xA1 HIS 348 HE1 0.00 -0.02 0.01 -0.04 7.75 7.70