============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 11 1.000 37.477 3.626 53.394 -99.200 -91.000 PHE 20 1.000 35.678 -0.614 48.398 -99.200 -91.000 TYR 22 0.840 25.554 -1.751 44.329 -99.200 -91.000 TYR 23 0.840 36.116 0.192 42.671 -99.200 -91.000 PHE 34 1.000 32.885 4.489 46.339 -99.200 -91.000 PHE 57 1.000 25.687 17.229 84.276 -99.200 -91.000 TRP 79 1.040 32.871 44.686 82.428 -99.200 -91.000 TRP6 79 1.020 31.338 43.020 83.111 -99.200 -91.000 PHE 114 1.000 13.276 32.128 56.258 -99.200 -91.000 PHE 125 1.000 24.714 34.253 55.667 -99.200 -91.000 TYR 142 0.840 36.367 54.292 74.202 -99.200 -91.000 TRP 153 1.040 31.085 37.806 59.925 -99.200 -91.000 TRP6 153 1.020 29.346 38.663 58.557 -99.200 -91.000 TYR 154 0.840 39.010 35.049 60.399 -99.200 -91.000 PHE 168 1.000 22.066 36.535 50.466 -99.200 -91.000 PHE 169 1.000 28.088 37.097 53.418 -99.200 -91.000 TYR 174 0.840 32.289 40.331 49.651 -99.200 -91.000 PHE 175 1.000 24.739 41.159 52.695 -99.200 -91.000 HIS 180 0.900 41.124 42.367 50.076 -99.200 -91.000 PHE 184 1.000 32.199 33.760 52.307 -99.200 -91.000 PHE 185 1.000 36.465 28.553 58.878 -99.200 -91.000 PHE 193 1.000 29.955 5.380 60.436 -99.200 -91.000 TYR 219 0.840 36.844 24.004 69.076 -99.200 -91.000 HIS 238 0.900 40.679 40.188 73.477 -99.200 -91.000 HIS 240 0.900 30.405 37.308 69.522 -99.200 -91.000 TYR 242 0.840 27.542 35.561 64.981 -99.200 -91.000 PHE 256 1.000 30.643 36.746 75.335 -99.200 -91.000 PHE 259 1.000 31.903 37.972 81.765 -99.200 -91.000 PHE 265 1.000 35.995 35.231 83.283 -99.200 -91.000 TYR 298 0.840 18.494 20.206 71.786 -99.200 -91.000 PHE 318 1.000 20.440 22.365 90.840 -99.200 -91.000 HIS 327 0.900 29.839 29.174 72.816 -99.200 -91.000 TYR 328 0.840 37.114 36.168 75.141 -99.200 -91.000 TYR 329 0.840 36.072 29.451 71.795 -99.200 -91.000 PHE 333 1.000 41.379 27.847 76.431 -99.200 -91.000 TRP 341 1.040 40.377 21.709 73.149 -99.200 -91.000 TRP6 341 1.020 39.862 23.993 72.800 -99.200 -91.000 TYR 347 0.840 40.959 17.317 75.418 -99.200 -91.000 PHE 350 1.000 33.488 10.902 65.794 -99.200 -91.000 HIS 351 0.900 27.832 14.761 71.598 -99.200 -91.000 PHE 364 1.000 18.795 8.366 46.231 -99.200 -91.000 TYR 365 0.840 16.074 3.478 51.026 -99.200 -91.000 PHE 378 1.000 26.383 17.950 70.225 -99.200 -91.000 PHE 380 1.000 27.662 21.878 73.842 -99.200 -91.000 PHE 383 1.000 32.272 25.893 76.188 -99.200 -91.000 PHE 391 1.000 32.813 28.710 81.448 -99.200 -91.000 PHE 402 1.000 18.381 31.808 72.062 -99.200 -91.000 HIS 422 0.900 10.880 36.626 70.396 -99.200 -91.000 TYR 423 0.840 15.690 42.930 63.887 -99.200 -91.000 TRP 430 1.040 16.791 48.794 71.898 -99.200 -91.000 TRP6 430 1.020 18.010 47.951 70.054 -99.200 -91.000 TYR 452 0.840 26.292 46.343 68.526 -99.200 -91.000 PHE 459 1.000 17.356 59.655 65.650 -99.200 -91.000 HIS 464 0.900 3.603 61.849 68.254 -99.200 -91.000 PHE 465 1.000 9.713 57.406 65.043 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yqjB1 VAL 3 HA 0.02 -0.04 0.19 -0.75 4.13 3.55 2yqjB1 VAL 3 HB 0.02 -0.05 -0.04 -0.04 2.12 2.01 2yqjB1 VAL 3 HG13 0.02 0.04 -0.04 -0.04 0.97 0.95 2yqjB1 VAL 3 HG23 0.02 0.00 0.02 -0.04 0.95 0.95 2yqjB1 LYS 4 H 0.02 0.14 0.10 -0.55 8.42 8.12 2yqjB1 LYS 4 HA 0.01 0.18 0.90 -0.75 4.32 4.66 2yqjB1 LYS 4 HB2 0.03 0.04 0.02 -0.04 1.87 1.92 2yqjB1 LYS 4 HB3 0.01 -0.14 0.04 -0.04 1.79 1.66 2yqjB1 LYS 4 HG2 0.01 0.02 -0.05 -0.04 1.46 1.39 2yqjB1 LYS 4 HG3 0.01 0.03 -0.16 -0.04 1.46 1.30 2yqjB1 SER 5 H 0.01 0.07 0.15 -0.55 8.46 8.14 2yqjB1 SER 5 HA 0.02 0.23 0.54 -0.75 4.49 4.53 2yqjB1 SER 5 HB2 0.01 -0.07 0.17 -0.04 3.95 4.02 2yqjB1 SER 5 HB3 0.01 0.15 0.11 -0.04 3.93 4.16 2yqjB1 GLN 6 H 0.02 0.19 0.15 -0.55 8.47 8.29 2yqjB1 GLN 6 HA 0.03 0.15 0.37 -0.75 4.36 4.16 2yqjB1 GLN 6 HB2 0.06 0.08 0.11 -0.04 2.15 2.36 2yqjB1 GLN 6 HB3 0.03 -0.06 0.17 -0.04 2.02 2.13 2yqjB1 GLN 6 HG2 0.01 -0.01 -0.41 -0.04 2.40 1.95 2yqjB1 GLN 6 HG3 0.11 0.04 -0.06 -0.04 2.39 2.44 2yqjB1 GLN 6 HE21 0.21 0.03 -0.04 -0.04 6.97 7.14 2yqjB1 GLN 6 HE22 0.45 0.02 -0.07 -0.04 7.69 8.05 2yqjB1 GLN 7 H -0.01 0.09 -0.10 -0.55 8.47 7.91 2yqjB1 GLN 7 HA -0.09 0.11 0.40 -0.75 4.36 4.03 2yqjB1 GLN 7 HB2 -0.03 0.03 0.08 -0.04 2.15 2.19 2yqjB1 GLN 7 HB3 -0.02 -0.01 0.04 -0.04 2.02 1.99 2yqjB1 GLN 7 HG2 -0.03 0.05 -0.02 -0.04 2.40 2.35 2yqjB1 GLN 7 HG3 -0.05 0.00 -0.14 -0.04 2.39 2.16 2yqjB1 GLN 7 HE21 -0.09 0.04 -0.01 -0.04 6.97 6.87 2yqjB1 GLN 7 HE22 -0.04 -0.00 -0.00 -0.04 7.69 7.60 2yqjB1 GLN 8 H -0.01 0.04 -0.28 -0.55 8.47 7.67 2yqjB1 GLN 8 HA -0.02 0.07 0.41 -0.75 4.36 4.07 2yqjB1 GLN 8 HB2 0.00 0.04 0.09 -0.04 2.15 2.24 2yqjB1 GLN 8 HB3 -0.00 0.08 0.05 -0.04 2.02 2.10 2yqjB1 GLN 8 HG2 -0.01 0.07 0.03 -0.04 2.40 2.45 2yqjB1 GLN 8 HG3 -0.01 -0.12 0.07 -0.04 2.39 2.29 2yqjB1 GLN 8 HE21 -0.00 0.09 0.04 -0.04 6.97 7.06 2yqjB1 GLN 8 HE22 -0.00 0.01 0.03 -0.04 7.69 7.68 2yqjB1 ILE 9 H 0.01 0.50 -0.29 -0.55 8.25 7.91 2yqjB1 ILE 9 HA 0.10 0.07 0.44 -0.75 4.18 4.03 2yqjB1 ILE 9 HB 0.03 0.08 0.09 -0.04 1.89 2.05 2yqjB1 ILE 9 HG12 0.07 -0.01 -0.05 -0.04 1.49 1.45 2yqjB1 ILE 9 HG13 0.04 0.07 -0.13 -0.04 1.21 1.15 2yqjB1 ILE 9 HG23 0.16 0.02 -0.16 -0.04 0.93 0.91 2yqjB1 ILE 9 HD13 0.04 0.00 -0.12 -0.04 0.88 0.76 2yqjB1 ILE 10 H -0.08 0.44 -0.10 -0.55 8.25 7.97 2yqjB1 ILE 10 HA -0.19 0.06 0.37 -0.75 4.18 3.66 2yqjB1 ILE 10 HB -0.28 0.03 0.16 -0.04 1.89 1.76 2yqjB1 ILE 10 HG12 -0.76 -0.01 -0.01 -0.04 1.49 0.67 2yqjB1 ILE 10 HG13 -0.24 0.18 0.07 -0.04 1.21 1.18 2yqjB1 ILE 10 HG23 -0.94 -0.01 -0.16 -0.04 0.93 -0.22 2yqjB1 ILE 10 HD13 -0.48 -0.03 -0.08 -0.04 0.88 0.24 2yqjB1 ASP 11 H -0.09 0.62 -0.09 -0.55 8.40 8.29 2yqjB1 ASP 11 HA -0.08 -0.01 0.39 -0.75 4.63 4.19 2yqjB1 ASP 11 HB2 -0.04 0.08 0.13 -0.04 2.71 2.85 2yqjB1 ASP 11 HB3 -0.04 -0.02 0.00 -0.04 2.70 2.60 2yqjB1 SER 12 H 0.00 0.50 -0.27 -0.55 8.46 8.15 2yqjB1 SER 12 HA -0.05 -0.01 0.40 -0.75 4.49 4.07 2yqjB1 SER 12 HB2 -0.04 -0.00 0.15 -0.04 3.95 4.02 2yqjB1 SER 12 HB3 0.03 0.22 0.24 -0.04 3.93 4.37 2yqjB1 PHE 13 H 0.27 0.50 -0.19 -0.55 8.34 8.37 2yqjB1 PHE 13 HA 0.05 0.05 0.45 -0.75 4.62 4.42 2yqjB1 PHE 13 HB2 0.28 0.12 0.11 -0.04 3.15 3.62 2yqjB1 PHE 13 HB3 0.17 -0.04 -0.04 -0.04 3.06 3.10 2yqjB1 PHE 13 HD2 0.02 0.15 0.04 -0.04 7.28 7.45 2yqjB1 PHE 13 HE2 -0.03 0.04 -0.01 -0.04 7.38 7.34 2yqjB1 PHE 13 HZ -0.02 0.11 0.09 -0.04 7.32 7.47 2yqjB1 LYS 14 H 0.12 0.54 -0.15 -0.55 8.42 8.38 2yqjB1 LYS 14 HA 0.15 -0.09 0.41 -0.75 4.32 4.04 2yqjB1 LYS 14 HB2 -0.01 0.08 0.14 -0.04 1.87 2.04 2yqjB1 LYS 14 HB3 0.02 -0.04 -0.01 -0.04 1.79 1.72 2yqjB1 LYS 14 HG2 0.12 -0.09 -0.06 -0.04 1.46 1.39 2yqjB1 LYS 14 HG3 -0.14 0.21 -0.04 -0.04 1.46 1.45 2yqjB1 LYS 14 HD2 -0.15 -0.02 -0.09 -0.04 1.69 1.39 2yqjB1 LYS 14 HD3 -0.04 -0.01 -0.03 -0.04 1.68 1.55 2yqjB1 LYS 14 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.89 2yqjB1 LYS 14 HE3 -0.54 -0.00 -0.06 -0.04 2.99 2.35 2yqjB1 GLN 15 H 0.01 0.75 -0.07 -0.55 8.47 8.61 2yqjB1 GLN 15 HA 0.01 0.02 0.45 -0.75 4.36 4.08 2yqjB1 GLN 15 HB2 -0.03 0.11 0.10 -0.04 2.15 2.29 2yqjB1 GLN 15 HB3 -0.01 -0.06 0.11 -0.04 2.02 2.02 2yqjB1 GLN 15 HG2 -0.01 -0.08 0.03 -0.04 2.40 2.30 2yqjB1 GLN 15 HG3 -0.02 0.44 0.11 -0.04 2.39 2.88 2yqjB1 GLN 15 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.86 2yqjB1 GLN 15 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 2yqjB1 ALA 16 H 0.02 0.19 -0.77 -0.55 8.40 7.30 2yqjB1 ALA 16 HA 0.00 0.12 0.69 -0.75 4.34 4.40 2yqjB1 ALA 16 HB3 -0.04 -0.01 0.07 -0.04 1.41 1.39 2yqjB1 ASN 17 H 0.05 0.41 -0.57 -0.55 8.53 7.87 2yqjB1 ASN 17 HA 0.06 0.02 0.36 -0.75 4.76 4.45 2yqjB1 ASN 17 HB2 0.06 0.25 -0.03 -0.04 2.88 3.11 2yqjB1 ASN 17 HB3 0.05 -0.10 0.23 -0.04 2.79 2.93 2yqjB1 ASN 17 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.96 2yqjB1 ASN 17 HD22 0.03 0.03 -0.04 -0.04 7.74 7.71 2yqjB1 GLN 18 H 0.14 0.59 -0.08 -0.55 8.47 8.57 2yqjB1 GLN 18 HA 0.09 0.20 0.95 -0.75 4.36 4.85 2yqjB1 GLN 18 HB2 0.30 0.03 0.06 -0.04 2.15 2.50 2yqjB1 GLN 18 HB3 0.11 -0.10 0.17 -0.04 2.02 2.16 2yqjB1 GLN 18 HG2 0.14 0.19 -0.16 -0.04 2.40 2.53 2yqjB1 GLN 18 HG3 0.25 -0.07 0.01 -0.04 2.39 2.53 2yqjB1 GLN 18 HE21 0.13 0.39 0.17 -0.04 6.97 7.62 2yqjB1 GLN 18 HE22 0.11 0.51 0.04 -0.04 7.69 8.30 2yqjB1 ASP 19 H 0.10 0.25 -0.38 -0.55 8.40 7.83 2yqjB1 ASP 19 HA 0.28 0.05 0.30 -0.75 4.63 4.51 2yqjB1 ASP 19 HB2 0.07 0.04 -0.03 -0.04 2.71 2.75 2yqjB1 ASP 19 HB3 0.09 0.01 0.02 -0.04 2.70 2.78 2yqjB1 GLN 20 H 0.05 0.17 -0.27 -0.55 8.47 7.88 2yqjB1 GLN 20 HA 0.01 0.06 0.37 -0.75 4.36 4.06 2yqjB1 GLN 20 HB2 0.02 0.04 0.09 -0.04 2.15 2.26 2yqjB1 GLN 20 HB3 0.03 0.00 0.08 -0.04 2.02 2.08 2yqjB1 GLN 20 HG2 0.01 0.05 -0.32 -0.04 2.40 2.09 2yqjB1 GLN 20 HG3 0.03 0.01 -0.04 -0.04 2.39 2.34 2yqjB1 GLN 20 HE21 0.02 -0.08 0.11 -0.04 6.97 6.99 2yqjB1 GLN 20 HE22 -0.01 0.43 0.02 -0.04 7.69 8.10 2yqjB1 LEU 21 H -0.08 0.48 -0.46 -0.55 8.37 7.76 2yqjB1 LEU 21 HA -0.06 0.07 0.40 -0.75 4.35 4.01 2yqjB1 LEU 21 HB2 -0.86 0.09 0.01 -0.04 1.64 0.85 2yqjB1 LEU 21 HB3 -0.49 -0.06 0.01 -0.04 1.64 1.06 2yqjB1 LEU 21 HG -0.11 0.02 0.04 -0.04 1.64 1.56 2yqjB1 LEU 21 HD13 -0.29 -0.02 -0.01 -0.04 0.93 0.58 2yqjB1 LEU 21 HD23 -0.07 -0.01 -0.18 -0.04 0.89 0.59 2yqjB1 PHE 22 H 0.01 0.53 -0.30 -0.55 8.34 8.04 2yqjB1 PHE 22 HA 0.25 0.16 0.91 -0.75 4.62 5.19 2yqjB1 PHE 22 HB2 -0.00 0.11 0.07 -0.04 3.15 3.28 2yqjB1 PHE 22 HB3 -0.01 -0.09 0.16 -0.04 3.06 3.07 2yqjB1 PHE 22 HD2 -0.18 0.00 -0.04 -0.04 7.28 7.03 2yqjB1 PHE 22 HE2 -0.21 -0.01 -0.13 -0.04 7.38 6.99 2yqjB1 PHE 22 HZ -0.26 0.03 -0.06 -0.04 7.32 6.99 2yqjB1 GLN 23 H 0.02 0.42 -0.32 -0.55 8.47 8.04 2yqjB1 GLN 23 HA -0.07 0.04 0.35 -0.75 4.36 3.93 2yqjB1 GLN 23 HB2 -0.16 0.08 0.17 -0.04 2.15 2.20 2yqjB1 GLN 23 HB3 -0.69 0.01 0.08 -0.04 2.02 1.38 2yqjB1 GLN 23 HG2 -0.60 -0.03 -0.08 -0.04 2.40 1.65 2yqjB1 GLN 23 HG3 -0.21 -0.04 0.06 -0.04 2.39 2.15 2yqjB1 GLN 23 HE21 -0.08 0.09 0.03 -0.04 6.97 6.97 2yqjB1 GLN 23 HE22 -0.42 -0.06 -0.02 -0.04 7.69 7.15 2yqjB1 TYR 24 H 0.12 0.20 -0.18 -0.55 8.29 7.88 2yqjB1 TYR 24 HA 0.05 0.20 0.81 -0.75 4.56 4.86 2yqjB1 TYR 24 HB2 -0.03 0.14 0.02 -0.04 3.06 3.14 2yqjB1 TYR 24 HB3 -0.02 -0.05 0.10 -0.04 2.98 2.97 2yqjB1 TYR 24 HD2 -0.02 0.03 0.01 -0.04 7.15 7.14 2yqjB1 TYR 24 HE2 -0.01 0.04 -0.02 -0.04 6.85 6.81 2yqjB1 TYR 25 H 0.33 0.26 -0.44 -0.55 8.29 7.89 2yqjB1 TYR 25 HA 0.16 0.04 0.30 -0.75 4.56 4.30 2yqjB1 TYR 25 HB2 0.39 0.01 0.17 -0.04 3.06 3.58 2yqjB1 TYR 25 HB3 0.19 0.04 0.10 -0.04 2.98 3.28 2yqjB1 TYR 25 HD2 0.34 0.05 -0.06 -0.04 7.15 7.43 2yqjB1 TYR 25 HE2 0.18 0.01 -0.02 -0.04 6.85 6.99 2yqjB1 ASP 26 H 0.20 0.21 -0.19 -0.55 8.40 8.06 2yqjB1 ASP 26 HA 0.03 0.07 0.37 -0.75 4.63 4.35 2yqjB1 ASP 26 HB2 0.07 0.05 0.02 -0.04 2.71 2.80 2yqjB1 ASP 26 HB3 0.06 -0.00 0.09 -0.04 2.70 2.80 2yqjB1 SER 27 H 0.06 0.39 -0.40 -0.55 8.46 7.96 2yqjB1 SER 27 HA 0.01 0.10 0.62 -0.75 4.49 4.46 2yqjB1 SER 27 HB2 0.03 -0.06 0.12 -0.04 3.95 4.00 2yqjB1 SER 27 HB3 0.06 -0.04 0.05 -0.04 3.93 3.96 2yqjB1 LEU 28 H -0.07 0.43 -0.27 -0.55 8.37 7.91 2yqjB1 LEU 28 HA -0.07 0.01 0.55 -0.75 4.35 4.09 2yqjB1 LEU 28 HB2 -0.25 0.15 0.07 -0.04 1.64 1.57 2yqjB1 LEU 28 HB3 -0.13 -0.16 0.02 -0.04 1.64 1.33 2yqjB1 LEU 28 HG -0.05 0.22 -0.09 -0.04 1.64 1.67 2yqjB1 LEU 28 HD13 -0.16 0.01 -0.12 -0.04 0.93 0.63 2yqjB1 LEU 28 HD23 -0.11 -0.04 -0.18 -0.04 0.89 0.52 2yqjB1 THR 29 H -0.06 0.04 0.17 -0.55 8.28 7.88 2yqjB1 THR 29 HA -0.04 0.20 0.55 -0.75 4.39 4.35 2yqjB1 THR 29 HB -0.03 -0.03 0.17 -0.04 4.32 4.39 2yqjB1 THR 29 HG23 -0.03 0.05 0.08 -0.04 1.22 1.28 2yqjB1 ILE 30 H -0.03 0.19 0.17 -0.55 8.25 8.04 2yqjB1 ILE 30 HA -0.05 0.14 0.41 -0.75 4.18 3.92 2yqjB1 ILE 30 HB -0.01 -0.02 0.15 -0.04 1.89 1.98 2yqjB1 ILE 30 HG12 -0.01 0.03 0.06 -0.04 1.49 1.53 2yqjB1 ILE 30 HG13 -0.02 0.02 0.11 -0.04 1.21 1.28 2yqjB1 ILE 30 HG23 0.01 0.01 -0.07 -0.04 0.93 0.83 2yqjB1 ILE 30 HD13 0.00 0.01 0.04 -0.04 0.88 0.89 2yqjB1 ASP 31 H -0.02 0.10 -0.14 -0.55 8.40 7.79 2yqjB1 ASP 31 HA 0.00 0.09 0.34 -0.75 4.63 4.31 2yqjB1 ASP 31 HB2 -0.01 0.01 0.09 -0.04 2.71 2.77 2yqjB1 ASP 31 HB3 -0.02 0.01 0.01 -0.04 2.70 2.66 2yqjB1 GLN 32 H -0.04 0.11 -0.36 -0.55 8.47 7.63 2yqjB1 GLN 32 HA -0.02 0.09 0.51 -0.75 4.36 4.19 2yqjB1 GLN 32 HB2 -0.08 0.07 0.12 -0.04 2.15 2.22 2yqjB1 GLN 32 HB3 -0.08 0.04 0.02 -0.04 2.02 1.95 2yqjB1 GLN 32 HG2 -0.06 0.05 0.02 -0.04 2.40 2.37 2yqjB1 GLN 32 HG3 -0.05 -0.09 0.02 -0.04 2.39 2.23 2yqjB1 GLN 32 HE21 -0.07 0.05 0.02 -0.04 6.97 6.92 2yqjB1 GLN 32 HE22 -0.07 0.02 0.00 -0.04 7.69 7.60 2yqjB1 GLN 33 H -0.07 0.45 -0.13 -0.55 8.47 8.17 2yqjB1 GLN 33 HA 0.05 0.07 0.42 -0.75 4.36 4.15 2yqjB1 GLN 33 HB2 -0.04 0.02 0.12 -0.04 2.15 2.22 2yqjB1 GLN 33 HB3 -0.16 -0.04 0.03 -0.04 2.02 1.81 2yqjB1 GLN 33 HG2 -0.76 0.06 0.01 -0.04 2.40 1.67 2yqjB1 GLN 33 HG3 -0.22 0.23 -0.08 -0.04 2.39 2.27 2yqjB1 GLN 33 HE21 -0.13 -0.07 -0.05 -0.04 6.97 6.68 2yqjB1 GLN 33 HE22 -0.42 0.33 -0.02 -0.04 7.69 7.55 2yqjB1 GLN 34 H 0.04 0.58 -0.10 -0.55 8.47 8.45 2yqjB1 GLN 34 HA 0.10 -0.02 0.35 -0.75 4.36 4.04 2yqjB1 GLN 34 HB2 0.04 0.10 0.14 -0.04 2.15 2.38 2yqjB1 GLN 34 HB3 0.04 -0.01 0.01 -0.04 2.02 2.02 2yqjB1 GLN 34 HG2 0.05 -0.06 0.03 -0.04 2.40 2.39 2yqjB1 GLN 34 HG3 0.04 0.15 0.09 -0.04 2.39 2.62 2yqjB1 GLN 34 HE21 0.02 -0.00 -0.03 -0.04 6.97 6.92 2yqjB1 GLN 34 HE22 0.03 -0.02 -0.01 -0.04 7.69 7.65 2yqjB1 GLU 35 H 0.06 0.46 -0.18 -0.55 8.60 8.40 2yqjB1 GLU 35 HA 0.06 0.01 0.46 -0.75 4.29 4.07 2yqjB1 GLU 35 HB2 0.03 0.16 0.22 -0.04 2.09 2.46 2yqjB1 GLU 35 HB3 0.06 0.09 0.05 -0.04 1.99 2.15 2yqjB1 GLU 35 HG2 0.01 -0.02 0.02 -0.04 2.34 2.31 2yqjB1 GLU 35 HG3 0.04 -0.02 0.05 -0.04 2.34 2.37 2yqjB1 PHE 36 H 0.23 0.55 -0.14 -0.55 8.34 8.43 2yqjB1 PHE 36 HA 0.00 0.05 0.46 -0.75 4.62 4.38 2yqjB1 PHE 36 HB2 0.05 0.11 0.22 -0.04 3.15 3.49 2yqjB1 PHE 36 HB3 0.18 0.09 0.19 -0.04 3.06 3.47 2yqjB1 PHE 36 HD2 0.18 -0.01 -0.01 -0.04 7.28 7.40 2yqjB1 PHE 36 HE2 -0.13 0.01 -0.08 -0.04 7.38 7.14 2yqjB1 PHE 36 HZ -0.27 0.04 -0.08 -0.04 7.32 6.97 2yqjB1 ILE 37 H 0.19 0.61 -0.09 -0.55 8.25 8.41 2yqjB1 ILE 37 HA -0.09 0.01 0.43 -0.75 4.18 3.77 2yqjB1 ILE 37 HB 0.09 0.10 0.14 -0.04 1.89 2.18 2yqjB1 ILE 37 HG12 0.28 0.34 0.03 -0.04 1.49 2.10 2yqjB1 ILE 37 HG13 0.16 -0.14 -0.02 -0.04 1.21 1.17 2yqjB1 ILE 37 HG23 0.04 -0.03 -0.13 -0.04 0.93 0.76 2yqjB1 ILE 37 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.80 2yqjB1 ASP 38 H 0.06 0.59 -0.09 -0.55 8.40 8.41 2yqjB1 ASP 38 HA 0.03 0.01 0.39 -0.75 4.63 4.30 2yqjB1 ASP 38 HB2 0.05 0.11 0.18 -0.04 2.71 3.01 2yqjB1 ASP 38 HB3 0.03 -0.04 0.01 -0.04 2.70 2.67 2yqjB1 GLN 39 H 0.05 0.50 -0.27 -0.55 8.47 8.20 2yqjB1 GLN 39 HA 0.02 0.01 0.45 -0.75 4.36 4.09 2yqjB1 GLN 39 HB2 0.07 -0.01 0.13 -0.04 2.15 2.30 2yqjB1 GLN 39 HB3 0.08 0.17 0.24 -0.04 2.02 2.48 2yqjB1 GLN 39 HG2 -0.01 0.02 -0.32 -0.04 2.40 2.05 2yqjB1 GLN 39 HG3 0.03 -0.04 -0.00 -0.04 2.39 2.33 2yqjB1 GLN 39 HE21 0.04 0.02 0.06 -0.04 6.97 7.05 2yqjB1 GLN 39 HE22 0.03 -0.02 -0.00 -0.04 7.69 7.67 2yqjB1 LEU 40 H -0.16 0.58 -0.02 -0.55 8.37 8.23 2yqjB1 LEU 40 HA -0.17 0.01 0.38 -0.75 4.35 3.82 2yqjB1 LEU 40 HB2 -0.29 0.06 0.09 -0.04 1.64 1.46 2yqjB1 LEU 40 HB3 -0.71 -0.05 0.04 -0.04 1.64 0.89 2yqjB1 LEU 40 HG -0.84 0.28 0.08 -0.04 1.64 1.11 2yqjB1 LEU 40 HD13 -1.03 -0.03 -0.10 -0.04 0.93 -0.27 2yqjB1 LEU 40 HD23 -0.78 -0.02 -0.02 -0.04 0.89 0.03 2yqjB1 SER 41 H 0.01 0.43 -0.48 -0.55 8.46 7.87 2yqjB1 SER 41 HA 0.11 0.04 0.45 -0.75 4.49 4.34 2yqjB1 SER 41 HB2 0.05 -0.11 0.09 -0.04 3.95 3.94 2yqjB1 SER 41 HB3 0.04 0.06 0.06 -0.04 3.93 4.06 2yqjB1 THR 42 H 0.05 0.46 -0.41 -0.55 8.28 7.83 2yqjB1 THR 42 HA 0.05 0.06 0.54 -0.75 4.39 4.28 2yqjB1 THR 42 HB 0.04 -0.10 0.13 -0.04 4.32 4.35 2yqjB1 THR 42 HG23 0.03 0.04 0.06 -0.04 1.22 1.32 2yqjB1 ILE 43 H 0.12 0.36 -0.51 -0.55 8.25 7.67 2yqjB1 ILE 43 HA 0.09 0.07 0.72 -0.75 4.18 4.31 2yqjB1 ILE 43 HB 0.34 0.18 0.18 -0.04 1.89 2.54 2yqjB1 ILE 43 HG12 0.10 0.00 -0.05 -0.04 1.49 1.50 2yqjB1 ILE 43 HG13 0.09 -0.00 -0.12 -0.04 1.21 1.14 2yqjB1 ILE 43 HG23 0.15 -0.03 -0.16 -0.04 0.93 0.85 2yqjB1 ILE 43 HD13 0.11 -0.02 -0.01 -0.04 0.88 0.92 2yqjB1 GLU 44 H 0.07 0.21 0.11 -0.55 8.60 8.43 2yqjB1 GLU 44 HA 0.03 0.02 0.38 -0.75 4.29 3.97 2yqjB1 GLU 45 H -0.00 0.11 0.16 -0.55 8.60 8.32 2yqjB1 GLU 45 HA -0.05 0.02 0.42 -0.75 4.29 3.92 2yqjB1 PRO 46 HA -0.02 0.13 0.44 -0.51 4.44 4.48 2yqjB1 PRO 46 HB2 -0.50 0.04 -0.04 -0.04 2.28 1.74 2yqjB1 PRO 46 HB3 -0.47 0.11 0.04 -0.04 2.02 1.65 2yqjB1 PRO 46 HG2 -0.41 -0.06 0.04 -0.04 2.03 1.56 2yqjB1 PRO 46 HG3 -1.01 0.08 -0.02 -0.04 2.03 1.04 2yqjB1 PRO 46 HD2 -0.16 -0.01 0.20 -0.04 3.68 3.67 2yqjB1 PRO 46 HD3 -0.17 0.47 0.02 -0.04 3.65 3.94 2yqjB1 ALA 47 H -0.12 0.15 -0.07 -0.55 8.40 7.80 2yqjB1 ALA 47 HA -0.03 0.13 0.41 -0.75 4.34 4.10 2yqjB1 ALA 47 HB3 -0.05 0.02 0.05 -0.04 1.41 1.39 2yqjB1 LYS 48 H -0.02 0.11 -0.27 -0.55 8.42 7.68 2yqjB1 LYS 48 HA -0.01 0.04 0.40 -0.75 4.32 3.99 2yqjB1 LEU 49 H 0.04 0.31 -0.25 -0.55 8.37 7.93 2yqjB1 LEU 49 HA 0.13 0.01 0.52 -0.75 4.35 4.27 2yqjB1 LEU 49 HB2 0.15 0.08 0.11 -0.04 1.64 1.94 2yqjB1 LEU 49 HB3 0.12 0.07 0.21 -0.04 1.64 2.01 2yqjB1 LEU 49 HG 0.36 0.02 -0.27 -0.04 1.64 1.71 2yqjB1 LEU 49 HD13 0.35 -0.03 0.04 -0.04 0.93 1.26 2yqjB1 LEU 49 HD23 0.20 -0.01 0.00 -0.04 0.89 1.04 2yqjB1 ILE 50 H 0.09 0.67 -0.00 -0.55 8.25 8.46 2yqjB1 ILE 50 HA 0.17 0.04 0.37 -0.75 4.18 4.01 2yqjB1 SER 51 H 0.02 0.38 -0.27 -0.55 8.46 8.05 2yqjB1 SER 51 HA -0.01 0.08 0.49 -0.75 4.49 4.29 2yqjB1 THR 52 H -0.04 0.64 0.01 -0.55 8.28 8.35 2yqjB1 THR 52 HA -0.14 -0.04 0.39 -0.75 4.39 3.85 2yqjB1 THR 52 HB -0.08 0.12 0.19 -0.04 4.32 4.51 2yqjB1 THR 52 HG23 -0.73 -0.03 -0.07 -0.04 1.22 0.36 2yqjB1 VAL 53 H -0.01 0.58 -0.28 -0.55 8.24 7.98 2yqjB1 VAL 53 HA -0.01 -0.11 0.32 -0.75 4.13 3.58 2yqjB1 VAL 53 HB -0.34 0.16 0.03 -0.04 2.12 1.93 2yqjB1 VAL 53 HG13 -0.72 -0.02 -0.12 -0.04 0.97 0.07 2yqjB1 VAL 53 HG23 -0.24 0.06 -0.01 -0.04 0.95 0.72 2yqjB1 GLU 54 H -0.07 0.22 -0.47 -0.55 8.60 7.73 2yqjB1 GLU 54 HA -0.05 0.05 0.37 -0.75 4.29 3.90 2yqjB1 GLN 55 H -0.07 0.35 -0.23 -0.55 8.47 7.97 2yqjB1 GLN 55 HA -0.05 -0.07 0.34 -0.75 4.36 3.82 2yqjB1 ALA 56 H -0.08 0.14 -0.05 -0.55 8.40 7.85 2yqjB1 ALA 56 HA -0.06 0.04 0.29 -0.75 4.34 3.85 2yqjB1 ALA 56 HB3 -0.07 -0.03 0.06 -0.04 1.41 1.32 2yqjB1 ARG 67 HA -0.28 -0.09 0.22 -0.75 4.34 3.43 2yqjB1 ARG 67 HB2 -0.17 -0.04 0.08 -0.04 1.90 1.73 2yqjB1 ARG 67 HB3 -0.78 -0.04 -0.09 -0.04 1.80 0.85 2yqjB1 ARG 67 HG2 -0.05 0.02 0.07 -0.04 1.67 1.67 2yqjB1 ARG 67 HG3 0.05 0.01 0.03 -0.04 1.67 1.71 2yqjB1 ARG 67 HD2 -0.12 -0.02 0.04 -0.04 3.22 3.08 2yqjB1 ARG 67 HD3 -0.00 0.05 0.04 -0.04 3.22 3.26 2yqjB1 ASN 68 H -0.38 0.09 0.07 -0.55 8.53 7.77 2yqjB1 ASN 68 HA -0.18 0.21 0.99 -0.75 4.76 5.03 2yqjB1 ASN 68 HB2 -0.10 -0.12 0.16 -0.04 2.88 2.77 2yqjB1 ASN 68 HB3 -0.05 0.04 0.02 -0.04 2.79 2.75 2yqjB1 ASN 68 HD21 -0.05 0.01 -0.05 -0.04 7.03 6.90 2yqjB1 ASN 68 HD22 -0.04 -0.00 -0.01 -0.04 7.74 7.65 2yqjB1 PHE 69 H 0.01 0.24 0.14 -0.55 8.34 8.17 2yqjB1 PHE 69 HA 0.04 0.23 1.13 -0.75 4.62 5.27 2yqjB1 PHE 69 HB2 0.08 -0.01 -0.00 -0.04 3.15 3.18 2yqjB1 PHE 69 HB3 0.02 0.06 0.04 -0.04 3.06 3.13 2yqjB1 PHE 69 HD2 0.02 0.05 -0.12 -0.04 7.28 7.19 2yqjB1 PHE 69 HE2 0.02 0.01 -0.12 -0.04 7.38 7.25 2yqjB1 PHE 69 HZ 0.02 0.04 -0.10 -0.04 7.32 7.24 2yqjB1 THR 70 H 0.19 0.47 0.31 -0.55 8.28 8.71 2yqjB1 THR 70 HA 0.37 0.15 0.62 -0.75 4.39 4.78 2yqjB1 THR 70 HB 0.19 0.05 -0.19 -0.04 4.32 4.32 2yqjB1 THR 70 HG23 0.09 0.05 -0.17 -0.04 1.22 1.14 2yqjB1 GLN 71 H 0.04 0.15 0.14 -0.55 8.47 8.25 2yqjB1 GLN 71 HA -0.14 0.13 0.85 -0.75 4.36 4.45 2yqjB1 GLN 71 HB2 -0.03 -0.01 0.05 -0.04 2.15 2.12 2yqjB1 GLN 71 HB3 -0.10 0.04 0.06 -0.04 2.02 1.98 2yqjB1 GLN 71 HG2 -0.54 0.09 -0.01 -0.04 2.40 1.90 2yqjB1 GLN 71 HG3 -0.59 -0.11 0.00 -0.04 2.39 1.66 2yqjB1 GLN 71 HE21 -0.05 -0.10 0.03 -0.04 6.97 6.81 2yqjB1 GLN 71 HE22 -0.35 0.39 0.17 -0.04 7.69 7.86 2yqjB1 LEU 72 H -0.04 0.13 0.09 -0.55 8.37 8.01 2yqjB1 LEU 72 HA 0.01 0.08 0.29 -0.75 4.35 3.97 2yqjB1 LEU 72 HB2 0.02 -0.06 -0.01 -0.04 1.64 1.55 2yqjB1 LEU 72 HB3 0.06 0.12 -0.17 -0.04 1.64 1.61 2yqjB1 LEU 72 HG -0.01 -0.06 -0.20 -0.04 1.64 1.33 2yqjB1 LEU 72 HD13 0.17 0.01 -0.18 -0.04 0.93 0.88 2yqjB1 LEU 72 HD23 -0.05 0.02 -0.19 -0.04 0.89 0.62 2yqjB1 PRO 73 HA 0.04 0.04 0.45 -0.51 4.44 4.45 2yqjB1 PRO 73 HB2 0.05 -0.06 0.03 -0.04 2.28 2.26 2yqjB1 PRO 73 HB3 0.04 0.07 0.12 -0.04 2.02 2.21 2yqjB1 PRO 73 HG2 0.05 0.01 0.06 -0.04 2.03 2.10 2yqjB1 PRO 73 HG3 0.03 0.10 0.03 -0.04 2.03 2.15 2yqjB1 PRO 73 HD2 0.02 0.07 0.13 -0.04 3.68 3.86 2yqjB1 PRO 73 HD3 0.03 0.17 0.12 -0.04 3.65 3.92 2yqjB1 ASN 74 H 0.04 0.14 0.18 -0.55 8.53 8.34 2yqjB1 ASN 74 HA 0.05 0.07 0.33 -0.75 4.76 4.46 2yqjB1 ASN 74 HB2 0.04 0.01 0.14 -0.04 2.88 3.03 2yqjB1 ASN 74 HB3 0.05 -0.02 0.06 -0.04 2.79 2.85 2yqjB1 ASN 74 HD21 0.05 -0.00 -0.06 -0.04 7.03 6.98 2yqjB1 ASN 74 HD22 0.05 -0.00 -0.16 -0.04 7.74 7.59 2yqjB1 GLU 75 H 0.06 -0.01 -0.47 -0.55 8.60 7.63 2yqjB1 GLU 75 HA 0.09 0.07 0.36 -0.75 4.29 4.06 2yqjB1 GLN 76 H 0.09 0.55 -0.25 -0.55 8.47 8.31 2yqjB1 GLN 76 HA 0.12 0.25 0.88 -0.75 4.36 4.86 2yqjB1 GLN 76 HB2 0.10 -0.08 -0.03 -0.04 2.15 2.10 2yqjB1 GLN 76 HB3 0.07 0.17 0.15 -0.04 2.02 2.36 2yqjB1 GLN 76 HG2 0.07 -0.13 -0.06 -0.04 2.40 2.24 2yqjB1 GLN 76 HG3 0.08 0.03 0.00 -0.04 2.39 2.46 2yqjB1 GLN 76 HE21 0.22 -0.02 -0.03 -0.04 6.97 7.10 2yqjB1 GLN 76 HE22 -0.08 0.38 0.24 -0.04 7.69 8.19 2yqjB1 THR 77 H 0.11 0.34 -0.20 -0.55 8.28 7.98 2yqjB1 THR 77 HA 0.12 0.29 1.04 -0.75 4.39 5.09 2yqjB1 THR 77 HB 0.05 -0.06 0.08 -0.04 4.32 4.35 2yqjB1 THR 77 HG23 0.06 0.00 -0.19 -0.04 1.22 1.05 2yqjB1 ALA 78 H 0.05 0.53 0.44 -0.55 8.40 8.87 2yqjB1 ALA 78 HA 0.12 0.11 0.53 -0.75 4.34 4.34 2yqjB1 ALA 78 HB3 0.20 0.02 -0.07 -0.04 1.41 1.52 2yqjB1 SER 79 H 0.04 0.24 0.15 -0.55 8.46 8.34 2yqjB1 SER 79 HA -0.04 0.35 1.10 -0.75 4.49 5.14 2yqjB1 SER 79 HB2 -0.02 0.12 -0.06 -0.04 3.95 3.96 2yqjB1 SER 79 HB3 -0.00 0.04 0.06 -0.04 3.93 3.98 2yqjB1 THR 80 H -0.04 0.67 0.31 -0.55 8.28 8.67 2yqjB1 THR 80 HA -0.03 0.07 0.42 -0.75 4.39 4.09 2yqjB1 THR 80 HB -0.01 0.05 0.11 -0.04 4.32 4.43 2yqjB1 THR 80 HG23 0.01 0.03 0.01 -0.04 1.22 1.22 2yqjB1 LEU 81 H -0.03 0.02 -0.46 -0.55 8.37 7.36 2yqjB1 LEU 81 HA -0.02 0.14 0.50 -0.75 4.35 4.22 2yqjB1 LEU 81 HB2 -0.02 -0.01 -0.07 -0.04 1.64 1.50 2yqjB1 LEU 81 HB3 -0.02 0.07 0.02 -0.04 1.64 1.67 2yqjB1 LEU 81 HG -0.03 -0.12 -0.16 -0.04 1.64 1.29 2yqjB1 LEU 81 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 2yqjB1 LEU 81 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.81 2yqjB1 ASP 82 H -0.03 0.33 -0.27 -0.55 8.40 7.89 2yqjB1 ASP 82 HA -0.03 0.24 0.97 -0.75 4.63 5.06 2yqjB1 ASP 82 HB2 -0.01 -0.02 0.08 -0.04 2.71 2.71 2yqjB1 ASP 82 HB3 -0.02 -0.00 -0.00 -0.04 2.70 2.63 2yqjB1 LEU 83 H -0.07 0.30 0.15 -0.55 8.37 8.21 2yqjB1 LEU 83 HA -0.12 0.01 0.45 -0.75 4.35 3.94 2yqjB1 LEU 83 HB2 -0.21 0.00 0.03 -0.04 1.64 1.43 2yqjB1 LEU 83 HB3 -0.37 -0.05 0.03 -0.04 1.64 1.21 2yqjB1 LEU 83 HG -0.06 0.14 0.09 -0.04 1.64 1.76 2yqjB1 LEU 83 HD13 -0.25 -0.01 -0.13 -0.04 0.93 0.49 2yqjB1 LEU 83 HD23 -0.09 0.01 0.00 -0.04 0.89 0.77 2yqjB1 SER 84 H -0.15 0.06 0.20 -0.55 8.46 8.02 2yqjB1 SER 84 HA -0.09 0.21 0.48 -0.75 4.49 4.34 2yqjB1 SER 84 HB2 -0.08 -0.01 0.17 -0.04 3.95 3.99 2yqjB1 SER 84 HB3 -0.09 0.14 0.18 -0.04 3.93 4.12 2yqjB1 LYS 85 H -0.08 0.21 0.18 -0.55 8.42 8.18 2yqjB1 LYS 85 HA -0.09 0.13 0.41 -0.75 4.32 4.01 2yqjB1 LYS 85 HB2 -0.06 -0.03 0.12 -0.04 1.87 1.86 2yqjB1 LYS 85 HB3 -0.06 0.04 0.05 -0.04 1.79 1.78 2yqjB1 ASP 86 H -0.09 0.07 -0.19 -0.55 8.40 7.64 2yqjB1 ASP 86 HA -0.08 0.13 0.40 -0.75 4.63 4.32 2yqjB1 ASP 86 HB2 -0.09 -0.06 0.09 -0.04 2.71 2.61 2yqjB1 ASP 86 HB3 -0.08 0.08 -0.04 -0.04 2.70 2.61 2yqjB1 ILE 87 H -0.21 0.05 -0.17 -0.55 8.25 7.38 2yqjB1 ILE 87 HA -0.35 0.09 0.40 -0.75 4.18 3.57 2yqjB1 ILE 87 HB -0.41 -0.01 0.11 -0.04 1.89 1.54 2yqjB1 ILE 87 HG12 -0.24 0.08 0.03 -0.04 1.49 1.32 2yqjB1 ILE 87 HG13 -0.19 -0.08 0.04 -0.04 1.21 0.94 2yqjB1 ILE 87 HG23 -1.18 0.02 -0.16 -0.04 0.93 -0.43 2yqjB1 ILE 87 HD13 -0.16 -0.01 0.05 -0.04 0.88 0.72 2yqjB1 LEU 88 H -0.30 0.58 -0.24 -0.55 8.37 7.86 2yqjB1 LEU 88 HA -0.28 -0.00 0.35 -0.75 4.35 3.66 2yqjB1 LEU 88 HB2 -0.12 0.09 0.07 -0.04 1.64 1.64 2yqjB1 LEU 88 HB3 -0.07 -0.06 -0.01 -0.04 1.64 1.47 2yqjB1 LEU 88 HG -0.23 0.16 -0.17 -0.04 1.64 1.36 2yqjB1 LEU 88 HD13 -0.07 0.02 -0.06 -0.04 0.93 0.78 2yqjB1 LEU 88 HD23 -0.18 -0.04 -0.06 -0.04 0.89 0.57 2yqjB1 GLN 89 H -0.13 0.64 -0.17 -0.55 8.47 8.26 2yqjB1 GLN 89 HA -0.06 -0.01 0.42 -0.75 4.36 3.96 2yqjB1 GLN 89 HB2 -0.06 0.02 0.12 -0.04 2.15 2.18 2yqjB1 GLN 89 HB3 -0.07 0.08 0.16 -0.04 2.02 2.15 2yqjB1 GLN 89 HG2 -0.04 0.00 -0.15 -0.04 2.40 2.17 2yqjB1 GLN 89 HG3 -0.05 -0.04 0.05 -0.04 2.39 2.30 2yqjB1 GLN 89 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.90 2yqjB1 GLN 89 HE22 -0.00 0.01 -0.06 -0.04 7.69 7.60 2yqjB1 ASN 90 H -0.13 0.60 -0.13 -0.55 8.53 8.32 2yqjB1 ASN 90 HA -0.00 0.03 0.41 -0.75 4.76 4.44 2yqjB1 ASN 90 HB2 -0.04 -0.01 0.09 -0.04 2.88 2.87 2yqjB1 ASN 90 HB3 -0.12 0.07 0.17 -0.04 2.79 2.87 2yqjB1 ASN 90 HD21 0.06 0.03 -0.02 -0.04 7.03 7.06 2yqjB1 ASN 90 HD22 0.03 -0.01 0.04 -0.04 7.74 7.77 2yqjB1 TRP 91 H -0.01 0.63 -0.11 -0.55 7.97 7.93 2yqjB1 TRP 91 HA -0.05 0.04 0.41 -0.75 4.62 4.26 2yqjB1 TRP 91 HB2 -0.02 0.08 0.13 -0.04 3.23 3.38 2yqjB1 TRP 91 HB3 -0.00 -0.04 0.02 -0.04 3.23 3.17 2yqjB1 TRP 91 HD1 -0.03 -0.04 -0.20 -0.04 7.22 6.91 2yqjB1 TRP 91 HE1 -0.01 0.03 -0.07 -0.04 10.20 10.11 2yqjB1 TRP 91 HE3 0.00 -0.02 -0.07 -0.04 7.59 7.46 2yqjB1 TRP 91 HZ2 0.11 0.06 -0.07 -0.04 7.44 7.50 2yqjB1 TRP 91 HZ3 -0.14 -0.09 -0.13 -0.04 7.13 6.73 2yqjB1 TRP 91 HH2 0.16 -0.00 -0.08 -0.04 7.19 7.23 2yqjB1 THR 92 H 0.09 0.59 -0.25 -0.55 8.28 8.16 2yqjB1 THR 92 HA -0.01 -0.13 0.15 -0.75 4.39 3.65 2yqjB1 THR 92 HB -0.06 0.19 0.16 -0.04 4.32 4.57 2yqjB1 THR 92 HG23 -0.12 -0.03 -0.08 -0.04 1.22 0.96 2yqjB1 GLU 93 H -0.08 0.56 -0.21 -0.55 8.60 8.32 2yqjB1 GLU 93 HA -0.62 0.01 0.48 -0.75 4.29 3.40 2yqjB1 GLU 93 HB2 -0.06 0.11 0.16 -0.04 2.09 2.25 2yqjB1 GLU 93 HB3 -0.17 -0.01 0.01 -0.04 1.99 1.78 2yqjB1 GLU 93 HG2 -0.42 -0.03 0.01 -0.04 2.34 1.86 2yqjB1 GLU 93 HG3 -0.16 0.13 0.07 -0.04 2.34 2.33 2yqjB1 LEU 94 H -0.00 0.55 -0.07 -0.55 8.37 8.30 2yqjB1 LEU 94 HA -0.01 0.04 0.43 -0.75 4.35 4.06 2yqjB1 LEU 94 HB2 -0.01 0.04 0.20 -0.04 1.64 1.83 2yqjB1 LEU 94 HB3 -0.07 -0.03 0.02 -0.04 1.64 1.52 2yqjB1 LEU 94 HG 0.07 0.11 0.04 -0.04 1.64 1.82 2yqjB1 LEU 94 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.87 2yqjB1 LEU 94 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.84 2yqjB1 GLY 95 H -0.06 0.60 -0.26 -0.55 8.43 8.17 2yqjB1 GLY 95 HA2 -0.10 -0.04 0.38 -0.51 4.01 3.74 2yqjB1 GLY 95 HA3 -0.07 0.06 0.44 -0.51 4.01 3.92 2yqjB1 LEU 96 H -0.17 0.68 0.05 -0.55 8.37 8.39 2yqjB1 LEU 96 HA -0.07 0.01 0.46 -0.75 4.35 4.00 2yqjB1 LEU 96 HB2 -0.44 0.08 0.15 -0.04 1.64 1.39 2yqjB1 LEU 96 HB3 -0.07 -0.00 0.07 -0.04 1.64 1.60 2yqjB1 LEU 96 HG -0.19 0.09 0.10 -0.04 1.64 1.60 2yqjB1 LEU 96 HD13 -0.21 -0.00 -0.08 -0.04 0.93 0.59 2yqjB1 LEU 96 HD23 -0.14 -0.02 -0.03 -0.04 0.89 0.65 2yqjB1 LYS 97 H -0.05 0.52 -0.29 -0.55 8.42 8.05 2yqjB1 LYS 97 HA 0.16 0.05 0.44 -0.75 4.32 4.22 2yqjB1 LYS 97 HB2 0.24 0.02 0.08 -0.04 1.87 2.18 2yqjB1 LYS 97 HB3 0.06 0.13 0.14 -0.04 1.79 2.07 2yqjB1 LYS 97 HG2 0.07 -0.00 -0.25 -0.04 1.46 1.23 2yqjB1 LYS 97 HG3 0.10 -0.02 -0.00 -0.04 1.46 1.50 2yqjB1 ALA 98 H 0.00 0.45 -0.16 -0.55 8.40 8.15 2yqjB1 ALA 98 HA 0.08 0.07 0.40 -0.75 4.34 4.14 2yqjB1 ALA 98 HB3 0.03 0.03 0.04 -0.04 1.41 1.46 2yqjB1 ILE 99 H 0.02 0.48 -0.19 -0.55 8.25 8.01 2yqjB1 ILE 99 HA 0.06 -0.07 0.39 -0.75 4.18 3.80 2yqjB1 ILE 99 HB 0.00 0.11 0.20 -0.04 1.89 2.16 2yqjB1 ILE 99 HG12 0.03 -0.07 -0.03 -0.04 1.49 1.38 2yqjB1 ILE 99 HG13 0.01 0.09 0.05 -0.04 1.21 1.32 2yqjB1 ILE 99 HG23 0.01 0.00 -0.15 -0.04 0.93 0.75 2yqjB1 ILE 99 HD13 -0.05 0.01 -0.08 -0.04 0.88 0.72 2yqjB1 GLY 100 H 0.05 0.74 -0.04 -0.55 8.43 8.63 2yqjB1 GLY 100 HA2 0.04 -0.01 0.37 -0.51 4.01 3.90 2yqjB1 GLY 100 HA3 0.06 0.06 0.32 -0.51 4.01 3.94 2yqjB1 ASN 101 H 0.06 0.44 -0.41 -0.55 8.53 8.07 2yqjB1 ASN 101 HA 0.04 0.11 0.74 -0.75 4.76 4.89 2yqjB1 ASN 101 HB2 0.06 -0.00 0.13 -0.04 2.88 3.02 2yqjB1 ASN 101 HB3 0.04 -0.05 0.20 -0.04 2.79 2.94 2yqjB1 ASN 101 HD21 0.05 -0.09 -0.03 -0.04 7.03 6.92 2yqjB1 ASN 101 HD22 0.06 -0.06 -0.07 -0.04 7.74 7.63 2yqjB1 GLY 102 H 0.05 0.42 -0.52 -0.55 8.43 7.83 2yqjB1 GLY 102 HA2 0.06 -0.00 0.35 -0.51 4.01 3.90 2yqjB1 GLY 102 HA3 0.05 0.02 0.38 -0.51 4.01 3.95 2yqjB1 GLU 103 H 0.09 0.61 -0.03 -0.55 8.60 8.73 2yqjB1 GLU 103 HA 0.06 0.36 1.00 -0.75 4.29 4.96 2yqjB1 GLU 103 HB2 0.20 -0.02 0.07 -0.04 2.09 2.29 2yqjB1 GLU 103 HB3 0.08 -0.24 0.23 -0.04 1.99 2.02 2yqjB1 GLU 103 HG2 0.03 0.09 0.06 -0.04 2.34 2.48 2yqjB1 GLU 103 HG3 0.06 0.24 -0.20 -0.04 2.34 2.41 2yqjB1 VAL 104 H 0.11 0.18 -0.10 -0.55 8.24 7.89 2yqjB1 VAL 104 HA 0.20 0.30 1.04 -0.75 4.13 4.92 2yqjB1 VAL 104 HB 0.10 0.00 0.00 -0.04 2.12 2.19 2yqjB1 VAL 104 HG13 0.15 -0.01 -0.22 -0.04 0.97 0.85 2yqjB1 VAL 104 HG23 0.12 -0.01 -0.27 -0.04 0.95 0.75 2yqjB1 ALA 105 H 0.19 0.59 0.43 -0.55 8.40 9.06 2yqjB1 ALA 105 HA 0.19 0.19 0.83 -0.75 4.34 4.79 2yqjB1 ALA 105 HB3 0.29 0.01 -0.03 -0.04 1.41 1.63 2yqjB1 VAL 106 H 0.29 0.80 0.33 -0.55 8.24 9.12 2yqjB1 VAL 106 HA 0.32 0.12 1.19 -0.75 4.13 5.01 2yqjB1 VAL 106 HB 0.25 0.06 0.09 -0.04 2.12 2.48 2yqjB1 VAL 106 HG13 0.43 -0.00 -0.16 -0.04 0.97 1.20 2yqjB1 VAL 106 HG23 0.18 -0.02 -0.18 -0.04 0.95 0.89 2yqjB1 LEU 107 H 0.31 0.80 0.35 -0.55 8.37 9.28 2yqjB1 LEU 107 HA 0.34 0.36 1.10 -0.75 4.35 5.39 2yqjB1 LEU 107 HB2 0.20 -0.01 -0.08 -0.04 1.64 1.70 2yqjB1 LEU 107 HB3 0.16 -0.11 0.01 -0.04 1.64 1.66 2yqjB1 LEU 107 HG 0.13 0.05 -0.13 -0.04 1.64 1.65 2yqjB1 LEU 107 HD13 -0.02 -0.02 -0.16 -0.04 0.93 0.69 2yqjB1 LEU 107 HD23 0.26 0.04 -0.09 -0.04 0.89 1.05 2yqjB1 LEU 108 H 0.20 0.75 0.32 -0.55 8.37 9.10 2yqjB1 LEU 108 HA -0.38 0.18 0.91 -0.75 4.35 4.31 2yqjB1 LEU 108 HB2 0.44 0.04 -0.08 -0.04 1.64 2.00 2yqjB1 LEU 108 HB3 -0.02 0.02 0.06 -0.04 1.64 1.66 2yqjB1 LEU 108 HG 0.03 -0.09 -0.44 -0.04 1.64 1.10 2yqjB1 LEU 108 HD13 -0.28 -0.01 -0.11 -0.04 0.93 0.49 2yqjB1 LEU 108 HD23 0.42 -0.00 -0.13 -0.04 0.89 1.13 2yqjB1 MET 109 H -0.19 0.59 0.36 -0.55 8.47 8.68 2yqjB1 MET 109 HA -0.05 0.14 0.93 -0.75 4.52 4.79 2yqjB1 MET 109 HB2 -0.04 -0.03 0.28 -0.04 2.15 2.32 2yqjB1 MET 109 HB3 -0.03 -0.12 0.13 -0.04 2.03 1.97 2yqjB1 MET 109 HG2 -0.01 0.04 -0.03 -0.04 2.63 2.59 2yqjB1 MET 109 HG3 0.00 0.12 -0.07 -0.04 2.56 2.57 2yqjB1 MET 109 HE3 0.09 -0.00 -0.20 -0.04 2.10 1.95 2yqjB1 ALA 110 H -0.05 0.82 0.23 -0.55 8.40 8.86 2yqjB1 ALA 110 HA 0.02 0.03 0.81 -0.75 4.34 4.44 2yqjB1 ALA 110 HB3 0.16 0.02 -0.04 -0.04 1.41 1.51 2yqjB1 GLY 111 H -0.03 0.05 0.01 -0.55 8.43 7.92 2yqjB1 GLY 111 HA2 -0.03 0.04 0.72 -0.51 4.01 4.23 2yqjB1 GLY 111 HA3 -0.05 0.04 0.13 -0.51 4.01 3.62 2yqjB1 GLY 112 H -0.01 -0.01 -0.11 -0.55 8.43 7.76 2yqjB1 GLY 112 HA2 -0.00 0.10 0.49 -0.51 4.01 4.08 2yqjB1 GLY 112 HA3 -0.00 -0.02 0.29 -0.51 4.01 3.77 2yqjB1 GLN 113 H 0.00 0.11 0.17 -0.55 8.47 8.21 2yqjB1 GLN 113 HA -0.00 0.20 0.53 -0.75 4.36 4.34 2yqjB1 GLY 114 H -0.01 -0.07 -0.10 -0.55 8.43 7.71 2yqjB1 GLY 114 HA2 -0.02 -0.04 0.36 -0.51 4.01 3.80 2yqjB1 GLY 114 HA3 -0.03 0.08 0.34 -0.51 4.01 3.89 2yqjB1 THR 115 H -0.01 0.04 0.06 -0.55 8.28 7.83 2yqjB1 THR 115 HA -0.01 0.28 0.58 -0.75 4.39 4.49 2yqjB1 ARG 116 H -0.02 -0.03 0.03 -0.55 8.46 7.89 2yqjB1 ARG 116 HA -0.02 0.12 0.45 -0.75 4.34 4.14 2yqjB1 ARG 116 HB2 -0.04 0.01 0.15 -0.04 1.90 1.98 2yqjB1 ARG 116 HB3 -0.04 0.04 0.08 -0.04 1.80 1.83 2yqjB1 ARG 116 HG2 -0.01 0.05 0.05 -0.04 1.67 1.71 2yqjB1 ARG 116 HG3 -0.00 -0.10 0.06 -0.04 1.67 1.58 2yqjB1 ARG 116 HD2 -0.03 0.02 -0.02 -0.04 3.22 3.14 2yqjB1 ARG 116 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 2yqjB1 LEU 117 H -0.05 -0.05 -0.53 -0.55 8.37 7.19 2yqjB1 LEU 117 HA -0.11 0.00 0.40 -0.75 4.35 3.89 2yqjB1 LEU 117 HB2 -0.14 0.03 -0.10 -0.04 1.64 1.39 2yqjB1 LEU 117 HB3 -0.07 0.03 0.12 -0.04 1.64 1.68 2yqjB1 LEU 117 HG -0.12 -0.05 -0.23 -0.04 1.64 1.21 2yqjB1 LEU 117 HD13 -0.49 -0.01 -0.28 -0.04 0.93 0.10 2yqjB1 LEU 117 HD23 -0.27 0.01 -0.03 -0.04 0.89 0.55 2yqjB1 GLY 118 H -0.02 0.25 0.07 -0.55 8.43 8.19 2yqjB1 GLY 118 HA2 0.00 0.10 0.27 -0.51 4.01 3.87 2yqjB1 GLY 118 HA3 0.01 0.18 0.87 -0.51 4.01 4.56 2yqjB1 SER 119 H 0.05 -0.02 0.05 -0.55 8.46 7.99 2yqjB1 SER 119 HA 0.07 0.04 0.45 -0.75 4.49 4.29 2yqjB1 SER 120 H 0.01 0.09 0.21 -0.55 8.46 8.23 2yqjB1 SER 120 HA 0.01 0.19 0.66 -0.75 4.49 4.59 2yqjB1 ALA 121 H 0.01 -0.09 -0.16 -0.55 8.40 7.61 2yqjB1 ALA 121 HA -0.01 0.24 0.82 -0.75 4.34 4.63 2yqjB1 ALA 121 HB3 -0.04 -0.01 0.00 -0.04 1.41 1.32 2yqjB1 PRO 122 HA 0.01 0.13 0.41 -0.51 4.44 4.48 2yqjB1 PRO 122 HB2 0.15 -0.10 0.04 -0.04 2.28 2.33 2yqjB1 PRO 122 HB3 0.15 0.06 0.10 -0.04 2.02 2.30 2yqjB1 PRO 122 HG2 0.07 0.03 -0.07 -0.04 2.03 2.02 2yqjB1 PRO 122 HG3 0.04 0.12 0.13 -0.04 2.03 2.28 2yqjB1 PRO 122 HD2 -0.04 0.09 0.13 -0.04 3.68 3.82 2yqjB1 PRO 122 HD3 -0.00 0.20 0.21 -0.04 3.65 4.01 2yqjB1 LYS 123 H -0.03 0.23 0.14 -0.55 8.42 8.20 2yqjB1 LYS 123 HA -0.02 0.10 0.36 -0.75 4.32 4.01 2yqjB1 LYS 123 HB2 -0.06 0.07 0.08 -0.04 1.87 1.92 2yqjB1 LYS 123 HB3 -0.09 -0.06 0.04 -0.04 1.79 1.63 2yqjB1 LYS 123 HG2 -0.11 0.01 -0.17 -0.04 1.46 1.14 2yqjB1 LYS 123 HG3 -0.12 0.02 0.05 -0.04 1.46 1.36 2yqjB1 LYS 123 HD2 -0.07 -0.13 -0.02 -0.04 1.69 1.44 2yqjB1 LYS 123 HD3 -0.10 0.11 0.06 -0.04 1.68 1.72 2yqjB1 LYS 123 HE2 -0.12 0.03 0.00 -0.04 2.99 2.86 2yqjB1 LYS 123 HE3 -0.06 -0.06 0.02 -0.04 2.99 2.85 2yqjB1 GLY 124 H -0.30 0.08 -0.31 -0.55 8.43 7.35 2yqjB1 GLY 124 HA2 -0.71 0.10 0.31 -0.51 4.01 3.20 2yqjB1 GLY 124 HA3 -2.42 0.05 0.23 -0.51 4.01 1.36 2yqjB1 CYS 125 H -0.23 0.56 -0.45 -0.55 8.50 7.82 2yqjB1 CYS 125 HA -0.47 0.03 0.56 -0.75 4.58 3.94 2yqjB1 CYS 125 HB2 -0.25 0.13 -0.04 -0.04 2.97 2.77 2yqjB1 CYS 125 HB3 -0.59 -0.01 0.07 -0.04 2.97 2.39 2yqjB1 PHE 126 H -0.02 0.46 -0.25 -0.55 8.34 7.98 2yqjB1 PHE 126 HA -0.09 0.01 0.31 -0.75 4.62 4.09 2yqjB1 PHE 126 HB2 -0.12 0.05 0.15 -0.04 3.15 3.19 2yqjB1 PHE 126 HB3 -0.11 -0.03 0.03 -0.04 3.06 2.90 2yqjB1 PHE 126 HD2 -0.07 -0.05 -0.29 -0.04 7.28 6.83 2yqjB1 PHE 126 HE2 -0.05 0.01 -0.12 -0.04 7.38 7.17 2yqjB1 PHE 126 HZ -0.05 -0.00 -0.02 -0.04 7.32 7.21 2yqjB1 ASN 127 H -0.86 0.17 0.13 -0.55 8.53 7.43 2yqjB1 ASN 127 HA -0.04 0.19 0.73 -0.75 4.76 4.88 2yqjB1 ASN 127 HB2 -0.10 0.14 -0.04 -0.04 2.88 2.83 2yqjB1 ASN 127 HB3 -0.27 -0.00 0.18 -0.04 2.79 2.66 2yqjB1 ASN 127 HD21 -0.05 0.02 0.01 -0.04 7.03 6.96 2yqjB1 ASN 127 HD22 -0.09 0.03 0.02 -0.04 7.74 7.67 2yqjB1 ILE 128 H 0.05 0.28 0.04 -0.55 8.25 8.06 2yqjB1 ILE 128 HA 0.23 0.09 0.46 -0.75 4.18 4.20 2yqjB1 ILE 128 HB -0.00 0.11 0.18 -0.04 1.89 2.14 2yqjB1 ILE 128 HG12 -0.09 0.04 0.00 -0.04 1.49 1.40 2yqjB1 ILE 128 HG13 -0.11 -0.03 -0.26 -0.04 1.21 0.77 2yqjB1 ILE 128 HG23 0.05 -0.00 -0.02 -0.04 0.93 0.91 2yqjB1 ILE 128 HD13 -0.16 0.00 -0.17 -0.04 0.88 0.52 2yqjB1 GLU 129 H -0.04 0.02 -0.80 -0.55 8.60 7.24 2yqjB1 GLU 129 HA -0.04 0.04 0.23 -0.75 4.29 3.76 2yqjB1 GLU 129 HB2 -0.02 0.15 0.09 -0.04 2.09 2.28 2yqjB1 GLU 129 HB3 -0.02 0.01 0.12 -0.04 1.99 2.05 2yqjB1 GLU 129 HG2 -0.01 0.02 -0.33 -0.04 2.34 1.98 2yqjB1 GLU 129 HG3 -0.00 -0.03 -0.14 -0.04 2.34 2.13 2yqjB1 LEU 130 H -0.09 -0.04 -0.14 -0.55 8.37 7.55 2yqjB1 LEU 130 HA -0.08 0.20 0.47 -0.75 4.35 4.19 2yqjB1 LEU 130 HB2 -0.15 -0.21 0.01 -0.04 1.64 1.26 2yqjB1 LEU 130 HB3 -0.15 0.05 0.08 -0.04 1.64 1.58 2yqjB1 LEU 130 HG -0.26 -0.07 -0.07 -0.04 1.64 1.19 2yqjB1 LEU 130 HD13 -0.79 0.02 -0.02 -0.04 0.93 0.10 2yqjB1 LEU 130 HD23 -0.27 0.03 -0.03 -0.04 0.89 0.58 2yqjB1 PRO 131 HA -0.01 0.13 0.37 -0.51 4.44 4.41 2yqjB1 PRO 131 HB2 0.01 -0.08 -0.02 -0.04 2.28 2.15 2yqjB1 PRO 131 HB3 0.01 0.22 0.08 -0.04 2.02 2.28 2yqjB1 PRO 131 HG2 0.01 0.03 -0.02 -0.04 2.03 2.00 2yqjB1 PRO 131 HG3 -0.00 0.07 0.09 -0.04 2.03 2.15 2yqjB1 PRO 131 HD2 -0.02 0.03 0.13 -0.04 3.68 3.78 2yqjB1 PRO 131 HD3 -0.02 0.17 0.16 -0.04 3.65 3.92 2yqjB1 SER 132 H -0.03 0.00 -0.41 -0.55 8.46 7.48 2yqjB1 SER 132 HA 0.01 0.21 0.50 -0.75 4.49 4.45 2yqjB1 SER 132 HB2 0.02 0.05 0.04 -0.04 3.95 4.01 2yqjB1 SER 132 HB3 0.02 0.00 -0.02 -0.04 3.93 3.89 2yqjB1 GLN 133 H -0.04 0.55 -0.41 -0.55 8.47 8.02 2yqjB1 GLN 133 HA -0.04 -0.10 0.23 -0.75 4.36 3.69 2yqjB1 GLN 133 HB2 -0.00 0.21 -0.05 -0.04 2.15 2.26 2yqjB1 GLN 133 HB3 -0.01 -0.07 0.15 -0.04 2.02 2.04 2yqjB1 GLN 133 HG2 -0.01 0.15 -0.35 -0.04 2.40 2.15 2yqjB1 GLN 133 HG3 -0.01 -0.02 -0.10 -0.04 2.39 2.22 2yqjB1 GLN 133 HE21 -0.03 -0.06 -0.11 -0.04 6.97 6.73 2yqjB1 GLN 133 HE22 -0.02 0.16 -0.15 -0.04 7.69 7.64 2yqjB1 LYS 134 H -0.05 -0.06 -0.34 -0.55 8.42 7.41 2yqjB1 LYS 134 HA 0.03 0.17 0.64 -0.75 4.32 4.41 2yqjB1 LYS 134 HB2 -0.05 -0.08 -0.00 -0.04 1.87 1.70 2yqjB1 LYS 134 HB3 -0.02 0.01 -0.05 -0.04 1.79 1.70 2yqjB1 LYS 134 HG2 0.04 0.06 -0.06 -0.04 1.46 1.45 2yqjB1 LYS 134 HG3 0.01 0.08 -0.20 -0.04 1.46 1.31 2yqjB1 LYS 134 HD2 0.02 -0.07 -0.06 -0.04 1.69 1.54 2yqjB1 LYS 134 HD3 0.03 0.01 -0.09 -0.04 1.68 1.59 2yqjB1 LYS 134 HE2 0.06 0.07 -0.04 -0.04 2.99 3.04 2yqjB1 LYS 134 HE3 0.04 0.01 -0.04 -0.04 2.99 2.96 2yqjB1 SER 135 H 0.08 0.10 0.16 -0.55 8.46 8.26 2yqjB1 SER 135 HA 0.01 0.28 0.47 -0.75 4.49 4.50 2yqjB1 SER 135 HB2 0.04 0.15 0.11 -0.04 3.95 4.20 2yqjB1 SER 135 HB3 0.17 0.17 0.04 -0.04 3.93 4.27 2yqjB1 LEU 136 H -0.03 0.43 0.16 -0.55 8.37 8.38 2yqjB1 LEU 136 HA 0.01 0.05 0.43 -0.75 4.35 4.09 2yqjB1 LEU 136 HB2 -0.20 -0.03 0.17 -0.04 1.64 1.53 2yqjB1 LEU 136 HB3 -0.02 0.08 0.03 -0.04 1.64 1.70 2yqjB1 LEU 136 HG -0.01 0.12 0.10 -0.04 1.64 1.81 2yqjB1 LEU 136 HD13 -0.08 0.04 -0.06 -0.04 0.93 0.78 2yqjB1 LEU 136 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.79 2yqjB1 PHE 137 H -0.05 0.66 0.01 -0.55 8.34 8.40 2yqjB1 PHE 137 HA 0.29 0.03 0.31 -0.75 4.62 4.49 2yqjB1 PHE 137 HB2 0.08 0.02 -0.01 -0.04 3.15 3.20 2yqjB1 PHE 137 HB3 -0.18 0.03 -0.14 -0.04 3.06 2.73 2yqjB1 PHE 137 HD2 0.17 0.05 -0.19 -0.04 7.28 7.27 2yqjB1 PHE 137 HE2 0.08 0.00 -0.10 -0.04 7.38 7.33 2yqjB1 PHE 137 HZ 0.11 0.01 -0.03 -0.04 7.32 7.37 2yqjB1 GLN 138 H -0.16 0.11 -0.29 -0.55 8.47 7.59 2yqjB1 GLN 138 HA -1.05 0.09 0.37 -0.75 4.36 3.01 2yqjB1 GLN 138 HB2 -0.80 0.02 0.07 -0.04 2.15 1.40 2yqjB1 GLN 138 HB3 -0.16 -0.00 0.10 -0.04 2.02 1.91 2yqjB1 GLN 138 HG2 -0.03 -0.01 -0.23 -0.04 2.40 2.08 2yqjB1 GLN 138 HG3 -0.06 0.02 -0.01 -0.04 2.39 2.30 2yqjB1 GLN 138 HE21 0.14 0.05 -0.02 -0.04 6.97 7.10 2yqjB1 GLN 138 HE22 0.13 -0.01 -0.03 -0.04 7.69 7.74 2yqjB1 ILE 139 H -0.02 0.55 -0.18 -0.55 8.25 8.04 2yqjB1 ILE 139 HA 0.04 -0.04 0.40 -0.75 4.18 3.84 2yqjB1 ILE 139 HB 0.07 0.15 0.18 -0.04 1.89 2.24 2yqjB1 ILE 139 HG12 -0.01 -0.10 -0.00 -0.04 1.49 1.34 2yqjB1 ILE 139 HG13 -0.03 0.18 -0.10 -0.04 1.21 1.22 2yqjB1 ILE 139 HG23 0.18 0.01 -0.06 -0.04 0.93 1.02 2yqjB1 ILE 139 HD13 -0.15 -0.01 -0.07 -0.04 0.88 0.60 2yqjB1 GLN 140 H 0.15 0.59 -0.13 -0.55 8.47 8.54 2yqjB1 GLN 140 HA 0.02 0.02 0.40 -0.75 4.36 4.06 2yqjB1 GLN 140 HB2 0.54 0.11 0.11 -0.04 2.15 2.87 2yqjB1 GLN 140 HB3 0.31 -0.07 -0.02 -0.04 2.02 2.20 2yqjB1 GLN 140 HG2 0.20 -0.03 -0.02 -0.04 2.40 2.51 2yqjB1 GLN 140 HG3 0.20 0.03 0.02 -0.04 2.39 2.60 2yqjB1 GLN 140 HE21 0.20 0.15 0.01 -0.04 6.97 7.29 2yqjB1 GLN 140 HE22 0.19 0.03 -0.06 -0.04 7.69 7.81 2yqjB1 ALA 141 H 0.13 0.48 -0.23 -0.55 8.40 8.23 2yqjB1 ALA 141 HA -0.29 -0.01 0.38 -0.75 4.34 3.66 2yqjB1 ALA 141 HB3 0.33 0.04 0.08 -0.04 1.41 1.82 2yqjB1 GLU 142 H 0.02 0.57 -0.16 -0.55 8.60 8.48 2yqjB1 GLU 142 HA 0.07 0.09 0.57 -0.75 4.29 4.26 2yqjB1 GLU 142 HB2 0.06 0.11 0.17 -0.04 2.09 2.39 2yqjB1 GLU 142 HB3 0.07 -0.17 0.03 -0.04 1.99 1.88 2yqjB1 GLU 142 HG2 0.10 0.04 0.02 -0.04 2.34 2.45 2yqjB1 GLU 142 HG3 0.07 0.17 0.05 -0.04 2.34 2.58 2yqjB1 LYS 143 H -0.00 0.51 -0.07 -0.55 8.42 8.30 2yqjB1 LYS 143 HA 0.08 0.02 0.45 -0.75 4.32 4.11 2yqjB1 LYS 143 HB2 -0.05 0.13 0.22 -0.04 1.87 2.13 2yqjB1 LYS 143 HB3 0.03 -0.07 0.04 -0.04 1.79 1.74 2yqjB1 LYS 143 HG2 -0.02 0.09 0.06 -0.04 1.46 1.55 2yqjB1 LYS 143 HG3 -0.08 0.08 0.06 -0.04 1.46 1.47 2yqjB1 LYS 143 HD2 -0.62 -0.10 0.09 -0.04 1.69 1.02 2yqjB1 LYS 143 HD3 -0.18 -0.05 0.12 -0.04 1.68 1.52 2yqjB1 LYS 143 HE2 -0.05 -0.04 -0.01 -0.04 2.99 2.85 2yqjB1 LYS 143 HE3 -0.22 0.04 -0.04 -0.04 2.99 2.73 2yqjB1 ILE 144 H -0.13 0.52 -0.21 -0.55 8.25 7.89 2yqjB1 ILE 144 HA -0.04 0.02 0.35 -0.75 4.18 3.76 2yqjB1 ILE 144 HB -0.29 0.15 0.12 -0.04 1.89 1.82 2yqjB1 ILE 144 HG12 -0.26 -0.06 -0.11 -0.04 1.49 1.03 2yqjB1 ILE 144 HG13 -0.38 0.02 -0.02 -0.04 1.21 0.79 2yqjB1 ILE 144 HG23 -0.10 -0.00 -0.15 -0.04 0.93 0.64 2yqjB1 ILE 144 HD13 -1.40 -0.01 -0.11 -0.04 0.88 -0.68 2yqjB1 LEU 145 H 0.00 0.44 -0.21 -0.55 8.37 8.05 2yqjB1 LEU 145 HA 0.03 0.02 0.34 -0.75 4.35 3.98 2yqjB1 LEU 145 HB2 0.06 0.18 0.22 -0.04 1.64 2.06 2yqjB1 LEU 145 HB3 0.06 -0.00 0.02 -0.04 1.64 1.68 2yqjB1 LEU 145 HG 0.05 -0.05 -0.01 -0.04 1.64 1.59 2yqjB1 LEU 145 HD13 0.07 0.03 -0.08 -0.04 0.93 0.91 2yqjB1 LEU 145 HD23 0.09 0.02 -0.01 -0.04 0.89 0.95 2yqjB1 LYS 146 H 0.07 0.64 -0.22 -0.55 8.42 8.36 2yqjB1 LYS 146 HA 0.05 0.03 0.42 -0.75 4.32 4.07 2yqjB1 LYS 146 HB2 0.10 0.06 -0.08 -0.04 1.87 1.91 2yqjB1 LYS 146 HB3 0.22 0.05 0.14 -0.04 1.79 2.16 2yqjB1 LYS 146 HG2 0.17 -0.02 -0.15 -0.04 1.46 1.41 2yqjB1 LYS 146 HG3 0.10 -0.14 -0.26 -0.04 1.46 1.12 2yqjB1 LYS 146 HD2 0.04 -0.14 0.05 -0.04 1.69 1.60 2yqjB1 LYS 146 HD3 0.06 0.13 -0.04 -0.04 1.68 1.79 2yqjB1 LYS 146 HE2 0.06 -0.11 -0.36 -0.04 2.99 2.54 2yqjB1 LYS 146 HE3 0.03 -0.19 -0.08 -0.04 2.99 2.71 2yqjB1 ILE 147 H 0.07 0.66 -0.04 -0.55 8.25 8.40 2yqjB1 ILE 147 HA -0.22 -0.09 0.40 -0.75 4.18 3.51 2yqjB1 ILE 147 HB -0.19 0.08 0.11 -0.04 1.89 1.85 2yqjB1 ILE 147 HG12 -0.22 0.14 -0.04 -0.04 1.49 1.33 2yqjB1 ILE 147 HG13 -0.19 -0.06 0.04 -0.04 1.21 0.96 2yqjB1 ILE 147 HG23 -0.02 0.06 -0.06 -0.04 0.93 0.87 2yqjB1 ILE 147 HD13 -0.83 -0.05 0.03 -0.04 0.88 -0.01 2yqjB1 GLU 148 H -0.01 0.54 -0.35 -0.55 8.60 8.23 2yqjB1 GLU 148 HA -0.00 -0.00 0.43 -0.75 4.29 3.96 2yqjB1 GLU 148 HB2 0.01 0.16 0.16 -0.04 2.09 2.38 2yqjB1 GLU 148 HB3 0.01 0.06 0.04 -0.04 1.99 2.06 2yqjB1 GLU 148 HG2 0.01 -0.05 -0.02 -0.04 2.34 2.24 2yqjB1 GLU 148 HG3 0.00 0.10 0.04 -0.04 2.34 2.44 2yqjB1 GLN 149 H 0.00 0.43 -0.16 -0.55 8.47 8.20 2yqjB1 GLN 149 HA 0.01 0.04 0.53 -0.75 4.36 4.17 2yqjB1 GLN 149 HB2 0.01 0.16 0.23 -0.04 2.15 2.51 2yqjB1 GLN 149 HB3 0.01 -0.06 0.03 -0.04 2.02 1.95 2yqjB1 GLN 149 HG2 0.01 -0.05 0.04 -0.04 2.40 2.35 2yqjB1 GLN 149 HG3 0.02 0.07 0.07 -0.04 2.39 2.50 2yqjB1 GLN 149 HE21 0.03 -0.05 -0.04 -0.04 6.97 6.87 2yqjB1 GLN 149 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.65 2yqjB1 LEU 150 H -0.03 0.62 0.05 -0.55 8.37 8.46 2yqjB1 LEU 150 HA -0.01 0.00 0.41 -0.75 4.35 4.00 2yqjB1 LEU 150 HB2 -0.13 0.07 0.16 -0.04 1.64 1.70 2yqjB1 LEU 150 HB3 -0.09 -0.07 0.04 -0.04 1.64 1.48 2yqjB1 LEU 150 HG -0.04 0.19 0.00 -0.04 1.64 1.75 2yqjB1 LEU 150 HD13 -0.12 -0.04 -0.02 -0.04 0.93 0.70 2yqjB1 LEU 150 HD23 -0.02 -0.00 -0.00 -0.04 0.89 0.82 2yqjB1 ALA 151 H -0.03 0.68 -0.20 -0.55 8.40 8.29 2yqjB1 ALA 151 HA 0.04 -0.08 0.41 -0.75 4.34 3.95 2yqjB1 ALA 151 HB3 0.01 0.05 0.15 -0.04 1.41 1.58 2yqjB1 GLN 152 H 0.02 0.54 -0.14 -0.55 8.47 8.34 2yqjB1 GLN 152 HA 0.03 -0.02 0.44 -0.75 4.36 4.05 2yqjB1 GLN 152 HB2 0.02 0.03 0.17 -0.04 2.15 2.32 2yqjB1 GLN 152 HB3 0.01 0.06 0.14 -0.04 2.02 2.19 2yqjB1 GLN 152 HG2 0.01 0.00 -0.21 -0.04 2.40 2.16 2yqjB1 GLN 152 HG3 0.01 -0.01 -0.27 -0.04 2.39 2.08 2yqjB1 GLN 152 HE21 0.01 -0.05 -0.22 -0.04 6.97 6.66 2yqjB1 GLN 152 HE22 0.00 0.31 -0.65 -0.04 7.69 7.32 2yqjB1 GLN 153 H 0.03 0.63 -0.18 -0.55 8.47 8.40 2yqjB1 GLN 153 HA 0.01 0.04 0.48 -0.75 4.36 4.13 2yqjB1 GLN 153 HB2 0.01 0.05 0.11 -0.04 2.15 2.28 2yqjB1 GLN 153 HB3 0.04 0.07 0.19 -0.04 2.02 2.27 2yqjB1 GLN 153 HG2 0.02 -0.01 -0.11 -0.04 2.40 2.27 2yqjB1 GLN 153 HG3 0.01 -0.02 0.03 -0.04 2.39 2.37 2yqjB1 GLN 153 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.87 2yqjB1 GLN 153 HE22 0.01 0.00 -0.00 -0.04 7.69 7.65 2yqjB1 TYR 154 H 0.14 0.58 0.00 -0.55 8.29 8.46 2yqjB1 TYR 154 HA -0.02 -0.02 0.40 -0.75 4.56 4.16 2yqjB1 TYR 154 HB2 -0.03 -0.07 0.11 -0.04 3.06 3.03 2yqjB1 TYR 154 HB3 -0.02 0.14 0.16 -0.04 2.98 3.22 2yqjB1 TYR 154 HD2 -0.01 0.01 -0.08 -0.04 7.15 7.03 2yqjB1 TYR 154 HE2 -0.01 -0.02 -0.03 -0.04 6.85 6.75 2yqjB1 LEU 155 H 0.06 0.48 -0.14 -0.55 8.37 8.22 2yqjB1 LEU 155 HA -0.28 0.08 0.61 -0.75 4.35 4.01 2yqjB1 LEU 155 HB2 0.01 0.05 0.07 -0.04 1.64 1.73 2yqjB1 LEU 155 HB3 -0.03 -0.03 0.08 -0.04 1.64 1.62 2yqjB1 LEU 155 HG 0.21 0.04 -0.02 -0.04 1.64 1.83 2yqjB1 LEU 155 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 2yqjB1 LEU 155 HD23 -0.04 -0.02 -0.04 -0.04 0.89 0.75 2yqjB1 LYS 156 H -0.04 0.25 -0.55 -0.55 8.42 7.52 2yqjB1 LYS 156 HA -0.02 0.05 0.35 -0.75 4.32 3.94 2yqjB1 LYS 156 HB2 -0.06 0.13 -0.05 -0.04 1.87 1.85 2yqjB1 LYS 156 HB3 -0.03 -0.11 0.20 -0.04 1.79 1.80 2yqjB1 LYS 156 HG2 -0.04 -0.01 0.05 -0.04 1.46 1.41 2yqjB1 LYS 156 HG3 -0.08 0.13 -0.19 -0.04 1.46 1.27 2yqjB1 LYS 156 HD2 -0.07 -0.01 -0.05 -0.04 1.69 1.52 2yqjB1 LYS 156 HD3 -0.04 -0.07 0.01 -0.04 1.68 1.54 2yqjB1 LYS 156 HE2 -0.06 0.05 -0.00 -0.04 2.99 2.93 2yqjB1 LYS 156 HE3 -0.04 -0.08 -0.00 -0.04 2.99 2.82 2yqjB1 SER 157 H -0.01 0.24 -0.12 -0.55 8.46 8.03 2yqjB1 SER 157 HA -0.01 0.04 0.48 -0.75 4.49 4.25 2yqjB1 SER 157 HB2 0.01 -0.01 0.05 -0.04 3.95 3.96 2yqjB1 SER 157 HB3 0.01 -0.03 0.10 -0.04 3.93 3.96 2yqjB1 THR 158 H -0.00 0.08 0.18 -0.55 8.28 7.98 2yqjB1 THR 158 HA -0.00 0.13 0.50 -0.75 4.39 4.27 2yqjB1 THR 158 HB -0.00 -0.03 0.06 -0.04 4.32 4.31 2yqjB1 THR 158 HG23 -0.00 0.01 0.05 -0.04 1.22 1.24 2yqjB1 LYS 159 H 0.00 0.10 -0.01 -0.55 8.42 7.96 2yqjB1 LYS 159 HA 0.01 0.13 0.79 -0.75 4.32 4.50 2yqjB1 LYS 159 HB2 0.01 -0.05 -0.07 -0.04 1.87 1.72 2yqjB1 LYS 159 HB3 0.01 -0.00 0.02 -0.04 1.79 1.77 2yqjB1 LYS 160 H 0.01 0.07 0.07 -0.55 8.42 8.01 2yqjB1 LYS 160 HA 0.01 0.12 0.50 -0.75 4.32 4.20 2yqjB1 LYS 160 HB2 0.01 0.10 -0.06 -0.04 1.87 1.89 2yqjB1 LYS 160 HB3 0.01 -0.06 0.05 -0.04 1.79 1.75 2yqjB1 LYS 160 HG2 0.01 -0.12 0.03 -0.04 1.46 1.34 2yqjB1 LYS 160 HG3 0.02 0.21 -0.25 -0.04 1.46 1.39 2yqjB1 LYS 160 HD2 0.02 0.03 -0.05 -0.04 1.69 1.65 2yqjB1 LYS 160 HD3 0.02 -0.04 -0.00 -0.04 1.68 1.62 2yqjB1 LYS 160 HE2 0.02 -0.06 -0.02 -0.04 2.99 2.89 2yqjB1 LYS 160 HE3 0.03 0.01 -0.02 -0.04 2.99 2.96 2yqjB1 PRO 161 HA 0.02 0.06 0.49 -0.51 4.44 4.51 2yqjB1 PRO 161 HB2 0.03 0.07 0.00 -0.04 2.28 2.34 2yqjB1 PRO 161 HB3 0.03 0.16 0.18 -0.04 2.02 2.34 2yqjB1 PRO 161 HG2 0.02 -0.09 0.04 -0.04 2.03 1.96 2yqjB1 PRO 161 HG3 0.03 -0.04 -0.10 -0.04 2.03 1.88 2yqjB1 PRO 161 HD2 0.02 0.23 0.30 -0.04 3.68 4.18 2yqjB1 PRO 161 HD3 0.02 0.13 0.22 -0.04 3.65 3.98 2yqjB1 ILE 162 H 0.03 0.19 0.12 -0.55 8.25 8.05 2yqjB1 ILE 162 HA 0.03 0.16 0.90 -0.75 4.18 4.51 2yqjB1 ILE 162 HB 0.03 0.01 0.16 -0.04 1.89 2.05 2yqjB1 ILE 162 HG12 0.02 0.08 -0.09 -0.04 1.49 1.46 2yqjB1 ILE 162 HG13 0.01 -0.06 -0.03 -0.04 1.21 1.09 2yqjB1 ILE 162 HG23 0.02 -0.02 -0.18 -0.04 0.93 0.70 2yqjB1 ILE 162 HD13 0.02 0.03 -0.15 -0.04 0.88 0.73 2yqjB1 ILE 163 H 0.03 0.18 0.02 -0.55 8.25 7.93 2yqjB1 ILE 163 HA 0.06 0.19 0.58 -0.75 4.18 4.26 2yqjB1 ILE 163 HB 0.01 -0.05 0.06 -0.04 1.89 1.87 2yqjB1 ILE 163 HG12 0.05 0.08 -0.09 -0.04 1.49 1.49 2yqjB1 ILE 163 HG13 0.03 0.02 -0.10 -0.04 1.21 1.12 2yqjB1 ILE 163 HG23 0.08 0.04 -0.26 -0.04 0.93 0.75 2yqjB1 ILE 163 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 2yqjB1 ASN 164 H 0.07 0.24 0.28 -0.55 8.53 8.58 2yqjB1 ASN 164 HA -0.05 0.09 0.53 -0.75 4.76 4.58 2yqjB1 ASN 164 HB2 0.10 -0.06 0.17 -0.04 2.88 3.06 2yqjB1 ASN 164 HB3 -0.51 -0.02 -0.01 -0.04 2.79 2.21 2yqjB1 ASN 164 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 2yqjB1 ASN 164 HD22 -0.13 0.03 0.04 -0.04 7.74 7.65 2yqjB1 TRP 165 H 0.02 0.93 0.39 -0.55 7.97 8.77 2yqjB1 TRP 165 HA 0.05 0.11 0.92 -0.75 4.62 4.95 2yqjB1 TRP 165 HB2 0.04 0.09 -0.00 -0.04 3.23 3.31 2yqjB1 TRP 165 HB3 -0.07 -0.02 0.24 -0.04 3.23 3.34 2yqjB1 TRP 165 HD1 0.18 0.12 -0.18 -0.04 7.22 7.30 2yqjB1 TRP 165 HE1 0.36 -0.08 -0.18 -0.04 10.20 10.25 2yqjB1 TRP 165 HE3 0.18 0.05 -0.07 -0.04 7.59 7.72 2yqjB1 TRP 165 HZ2 0.45 -0.05 -0.12 -0.04 7.44 7.68 2yqjB1 TRP 165 HZ3 0.58 0.03 -0.08 -0.04 7.13 7.62 2yqjB1 TRP 165 HH2 0.43 0.14 -0.04 -0.04 7.19 7.68 2yqjB1 TYR 166 H 0.40 0.70 0.28 -0.55 8.29 9.12 2yqjB1 TYR 166 HA -0.03 0.24 0.86 -0.75 4.56 4.88 2yqjB1 TYR 166 HB2 0.10 -0.06 0.17 -0.04 3.06 3.23 2yqjB1 TYR 166 HB3 0.02 -0.01 -0.03 -0.04 2.98 2.92 2yqjB1 TYR 166 HD2 -0.02 0.08 -0.09 -0.04 7.15 7.07 2yqjB1 TYR 166 HE2 -0.02 0.02 -0.09 -0.04 6.85 6.72 2yqjB1 ILE 167 H -0.12 0.72 0.22 -0.55 8.25 8.52 2yqjB1 ILE 167 HA -0.08 0.12 1.03 -0.75 4.18 4.49 2yqjB1 ILE 167 HB -0.49 -0.02 -0.00 -0.04 1.89 1.34 2yqjB1 ILE 167 HG12 -0.99 -0.03 -0.24 -0.04 1.49 0.19 2yqjB1 ILE 167 HG13 -1.00 0.12 -0.38 -0.04 1.21 -0.09 2yqjB1 ILE 167 HG23 -0.11 -0.04 -0.30 -0.04 0.93 0.44 2yqjB1 ILE 167 HD13 -1.66 -0.01 -0.14 -0.04 0.88 -0.97 2yqjB1 MET 168 H -0.05 0.70 0.30 -0.55 8.47 8.87 2yqjB1 MET 168 HA -1.01 0.36 0.78 -0.75 4.52 3.89 2yqjB1 MET 168 HB2 -0.55 0.04 0.03 -0.04 2.15 1.63 2yqjB1 MET 168 HB3 -0.19 -0.12 0.27 -0.04 2.03 1.95 2yqjB1 MET 168 HG2 -0.32 -0.08 -0.22 -0.04 2.63 1.96 2yqjB1 MET 168 HG3 -0.89 0.15 -0.08 -0.04 2.56 1.70 2yqjB1 MET 168 HE3 -0.08 -0.04 -0.05 -0.04 2.10 1.88 2yqjB1 THR 169 H -0.27 0.52 0.32 -0.55 8.28 8.30 2yqjB1 THR 169 HA -0.05 0.20 0.53 -0.75 4.39 4.31 2yqjB1 THR 169 HB -0.04 -0.08 0.01 -0.04 4.32 4.17 2yqjB1 THR 169 HG23 0.02 0.04 -0.18 -0.04 1.22 1.06 2yqjB1 SER 170 H -0.04 0.16 0.23 -0.55 8.46 8.27 2yqjB1 SER 170 HA -0.06 0.23 0.99 -0.75 4.49 4.89 2yqjB1 SER 170 HB2 -0.02 0.03 0.19 -0.04 3.95 4.11 2yqjB1 SER 170 HB3 -0.04 -0.02 0.11 -0.04 3.93 3.94 2yqjB1 GLY 171 H -0.02 0.27 0.15 -0.55 8.43 8.29 2yqjB1 GLY 171 HA2 -0.02 0.05 0.39 -0.51 4.01 3.92 2yqjB1 GLY 171 HA3 -0.01 0.12 0.35 -0.51 4.01 3.96 2yqjB1 PRO 172 HA -0.01 0.12 0.49 -0.51 4.44 4.53 2yqjB1 PRO 172 HB2 -0.00 0.08 0.00 -0.04 2.28 2.32 2yqjB1 PRO 172 HB3 -0.00 0.06 0.09 -0.04 2.02 2.13 2yqjB1 PRO 172 HG2 -0.01 0.04 -0.04 -0.04 2.03 1.98 2yqjB1 PRO 172 HG3 -0.00 0.08 0.05 -0.04 2.03 2.12 2yqjB1 PRO 172 HD2 -0.01 -0.06 0.04 -0.04 3.68 3.61 2yqjB1 PRO 172 HD3 -0.01 0.17 0.06 -0.04 3.65 3.84 2yqjB1 THR 173 H -0.02 0.35 -0.33 -0.55 8.28 7.74 2yqjB1 THR 173 HA 0.00 0.26 1.03 -0.75 4.39 4.93 2yqjB1 THR 173 HB 0.04 -0.05 0.14 -0.04 4.32 4.41 2yqjB1 THR 173 HG23 0.01 0.03 -0.16 -0.04 1.22 1.06 2yqjB1 ARG 174 H -0.04 0.58 0.10 -0.55 8.46 8.56 2yqjB1 ARG 174 HA -0.11 -0.01 0.32 -0.75 4.34 3.79 2yqjB1 ARG 174 HB2 -0.05 0.01 -0.04 -0.04 1.90 1.78 2yqjB1 ARG 174 HB3 -0.05 0.08 0.14 -0.04 1.80 1.93 2yqjB1 ARG 174 HG2 -0.04 0.03 -0.10 -0.04 1.67 1.52 2yqjB1 ARG 174 HG3 -0.09 0.02 -0.27 -0.04 1.67 1.30 2yqjB1 ARG 174 HD2 -0.26 -0.10 0.04 -0.04 3.22 2.85 2yqjB1 ARG 174 HD3 -0.07 -0.03 -0.09 -0.04 3.22 2.99 2yqjB1 ASN 175 H -0.05 0.25 -0.04 -0.55 8.53 8.14 2yqjB1 ASN 175 HA -0.08 0.07 0.39 -0.75 4.76 4.38 2yqjB1 ALA 176 H -0.03 0.16 -0.20 -0.55 8.40 7.78 2yqjB1 ALA 176 HA 0.00 0.05 0.40 -0.75 4.34 4.04 2yqjB1 ALA 176 HB3 0.00 0.03 0.11 -0.04 1.41 1.51 2yqjB1 THR 177 H -0.05 0.55 -0.16 -0.55 8.28 8.07 2yqjB1 THR 177 HA 0.11 0.01 0.49 -0.75 4.39 4.25 2yqjB1 THR 177 HB -0.16 0.05 0.09 -0.04 4.32 4.25 2yqjB1 THR 177 HG23 -0.06 -0.02 -0.13 -0.04 1.22 0.96 2yqjB1 GLU 178 H -0.33 0.65 0.04 -0.55 8.60 8.41 2yqjB1 GLU 178 HA -0.80 0.03 0.40 -0.75 4.29 3.16 2yqjB1 GLU 178 HB2 -0.88 -0.01 0.11 -0.04 2.09 1.26 2yqjB1 GLU 178 HB3 -0.30 0.08 0.13 -0.04 1.99 1.86 2yqjB1 GLU 178 HG2 -0.14 -0.01 -0.14 -0.04 2.34 2.01 2yqjB1 GLU 178 HG3 -0.28 -0.02 0.06 -0.04 2.34 2.06 2yqjB1 SER 179 H -0.08 0.48 -0.17 -0.55 8.46 8.14 2yqjB1 SER 179 HA -0.05 0.03 0.41 -0.75 4.49 4.13 2yqjB1 SER 179 HB2 0.02 0.07 0.11 -0.04 3.95 4.11 2yqjB1 SER 179 HB3 -0.00 -0.03 0.01 -0.04 3.93 3.87 2yqjB1 PHE 180 H 0.17 0.44 -0.19 -0.55 8.34 8.21 2yqjB1 PHE 180 HA -0.04 0.02 0.38 -0.75 4.62 4.22 2yqjB1 PHE 180 HB2 0.05 0.14 0.20 -0.04 3.15 3.50 2yqjB1 PHE 180 HB3 0.05 0.11 0.14 -0.04 3.06 3.32 2yqjB1 PHE 180 HD2 0.00 0.01 -0.06 -0.04 7.28 7.19 2yqjB1 PHE 180 HE2 0.16 -0.04 -0.02 -0.04 7.38 7.44 2yqjB1 PHE 180 HZ 0.12 0.00 0.05 -0.04 7.32 7.46 2yqjB1 PHE 181 H 0.29 0.48 -0.21 -0.55 8.34 8.35 2yqjB1 PHE 181 HA -0.31 0.01 0.36 -0.75 4.62 3.91 2yqjB1 PHE 181 HB2 -0.00 0.14 0.12 -0.04 3.15 3.37 2yqjB1 PHE 181 HB3 -0.34 -0.02 -0.06 -0.04 3.06 2.59 2yqjB1 PHE 181 HD2 0.15 0.16 -0.02 -0.04 7.28 7.53 2yqjB1 PHE 181 HE2 -0.62 -0.01 -0.11 -0.04 7.38 6.61 2yqjB1 PHE 181 HZ -0.56 -0.03 -0.10 -0.04 7.32 6.59 2yqjB1 ILE 182 H -0.15 0.55 -0.12 -0.55 8.25 7.98 2yqjB1 ILE 182 HA -0.53 0.01 0.53 -0.75 4.18 3.44 2yqjB1 ILE 182 HB -0.10 0.06 0.17 -0.04 1.89 1.98 2yqjB1 ILE 182 HG12 -0.06 -0.04 0.02 -0.04 1.49 1.38 2yqjB1 ILE 182 HG13 -0.09 0.20 0.10 -0.04 1.21 1.38 2yqjB1 ILE 182 HG23 -0.03 -0.01 -0.02 -0.04 0.93 0.82 2yqjB1 ILE 182 HD13 0.06 -0.02 -0.03 -0.04 0.88 0.85 2yqjB1 GLU 183 H -0.19 0.86 -0.01 -0.55 8.60 8.71 2yqjB1 GLU 183 HA -0.13 0.01 0.42 -0.75 4.29 3.83 2yqjB1 GLU 183 HB2 -0.12 0.22 0.11 -0.04 2.09 2.27 2yqjB1 GLU 183 HB3 -0.21 -0.00 -0.01 -0.04 1.99 1.72 2yqjB1 GLU 183 HG2 -0.07 -0.02 0.07 -0.04 2.34 2.28 2yqjB1 GLU 183 HG3 -0.04 -0.05 -0.00 -0.04 2.34 2.20 2yqjB1 ASN 184 H -0.50 0.26 -0.58 -0.55 8.53 7.15 2yqjB1 ASN 184 HA -0.35 0.21 0.87 -0.75 4.76 4.73 2yqjB1 ASN 184 HB2 -1.28 0.11 0.10 -0.04 2.88 1.78 2yqjB1 ASN 184 HB3 -1.16 -0.12 0.17 -0.04 2.79 1.63 2yqjB1 ASN 184 HD21 -0.83 -0.06 -0.02 -0.04 7.03 6.08 2yqjB1 ASN 184 HD22 -1.36 0.25 0.02 -0.04 7.74 6.61 2yqjB1 ASN 185 H -0.30 0.44 -0.34 -0.55 8.53 7.78 2yqjB1 ASN 185 HA -0.07 0.06 0.35 -0.75 4.76 4.35 2yqjB1 ASN 185 HB2 -0.07 0.03 -0.10 -0.04 2.88 2.70 2yqjB1 ASN 185 HB3 -0.08 0.10 -0.03 -0.04 2.79 2.74 2yqjB1 ASN 185 HD21 0.04 0.00 0.04 -0.04 7.03 7.07 2yqjB1 ASN 185 HD22 0.01 -0.00 0.04 -0.04 7.74 7.75 2yqjB1 TYR 186 H -0.54 0.83 -0.05 -0.55 8.29 7.98 2yqjB1 TYR 186 HA 0.20 -0.03 0.22 -0.75 4.56 4.19 2yqjB1 TYR 186 HB2 0.10 0.27 -0.28 -0.04 3.06 3.11 2yqjB1 TYR 186 HB3 0.25 -0.06 -0.03 -0.04 2.98 3.10 2yqjB1 TYR 186 HD2 0.16 -0.00 -0.18 -0.04 7.15 7.09 2yqjB1 TYR 186 HE2 0.13 0.01 -0.01 -0.04 6.85 6.93 2yqjB1 PHE 187 H -0.53 0.40 -0.52 -0.55 8.34 7.14 2yqjB1 PHE 187 HA 0.04 0.09 0.28 -0.75 4.62 4.27 2yqjB1 PHE 187 HB2 0.20 0.10 -0.05 -0.04 3.15 3.36 2yqjB1 PHE 187 HB3 0.09 -0.02 0.15 -0.04 3.06 3.24 2yqjB1 PHE 187 HD2 0.05 0.06 -0.19 -0.04 7.28 7.17 2yqjB1 PHE 187 HE2 -0.82 -0.01 -0.10 -0.04 7.38 6.41 2yqjB1 PHE 187 HZ -0.57 -0.01 -0.13 -0.04 7.32 6.57 2yqjB1 GLY 188 H 0.13 0.40 -0.23 -0.55 8.43 8.18 2yqjB1 GLY 188 HA2 0.10 -0.03 0.31 -0.51 4.01 3.88 2yqjB1 GLY 188 HA3 0.13 0.07 0.58 -0.51 4.01 4.28 2yqjB1 LEU 189 H 0.28 0.50 -0.41 -0.55 8.37 8.20 2yqjB1 LEU 189 HA 0.12 0.07 0.51 -0.75 4.35 4.29 2yqjB1 LEU 189 HB2 0.37 0.07 0.00 -0.04 1.64 2.04 2yqjB1 LEU 189 HB3 0.20 -0.07 0.05 -0.04 1.64 1.78 2yqjB1 LEU 189 HG 0.30 0.09 -0.03 -0.04 1.64 1.95 2yqjB1 LEU 189 HD13 0.55 -0.03 -0.02 -0.04 0.93 1.40 2yqjB1 LEU 189 HD23 0.09 0.01 -0.01 -0.04 0.89 0.94 2yqjB1 ASN 190 H 0.04 0.13 0.11 -0.55 8.53 8.27 2yqjB1 ASN 190 HA -0.06 0.13 0.59 -0.75 4.76 4.67 2yqjB1 SER 191 H -0.22 0.19 0.12 -0.55 8.46 8.01 2yqjB1 SER 191 HA -1.30 0.09 0.28 -0.75 4.49 2.81 2yqjB1 SER 191 HB2 -0.42 0.02 0.05 -0.04 3.95 3.56 2yqjB1 SER 191 HB3 -0.27 0.05 0.09 -0.04 3.93 3.76 2yqjB1 HIS 192 H -0.17 0.04 -0.30 -0.55 8.41 7.43 2yqjB1 HIS 192 HA -0.12 0.16 0.46 -0.75 4.63 4.37 2yqjB1 HIS 192 HB2 -0.06 -0.01 -0.04 -0.04 3.26 3.11 2yqjB1 HIS 192 HB3 -0.06 0.05 0.05 -0.04 3.20 3.20 2yqjB1 HIS 192 HD2 -0.08 -0.02 -0.21 -0.04 6.97 6.62 2yqjB1 HIS 192 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.69 2yqjB1 GLN 193 H -0.06 0.49 -0.39 -0.55 8.47 7.96 2yqjB1 GLN 193 HA -0.06 0.20 0.79 -0.75 4.36 4.53 2yqjB1 GLN 193 HB2 0.02 0.04 -0.08 -0.04 2.15 2.10 2yqjB1 GLN 193 HB3 0.01 -0.08 -0.08 -0.04 2.02 1.84 2yqjB1 GLN 193 HG2 0.05 0.28 0.04 -0.04 2.40 2.73 2yqjB1 GLN 193 HG3 0.15 -0.02 -0.20 -0.04 2.39 2.28 2yqjB1 GLN 193 HE21 0.04 -0.11 0.01 -0.04 6.97 6.87 2yqjB1 GLN 193 HE22 0.08 0.45 0.05 -0.04 7.69 8.23 2yqjB1 VAL 194 H -0.15 0.31 -0.24 -0.55 8.24 7.61 2yqjB1 VAL 194 HA -0.17 0.23 0.90 -0.75 4.13 4.33 2yqjB1 VAL 194 HB -0.12 0.02 0.15 -0.04 2.12 2.13 2yqjB1 VAL 194 HG13 -1.02 -0.03 -0.09 -0.04 0.97 -0.22 2yqjB1 VAL 194 HG23 0.36 0.02 -0.09 -0.04 0.95 1.20 2yqjB1 ILE 195 H -0.40 0.73 0.22 -0.55 8.25 8.26 2yqjB1 ILE 195 HA -0.25 0.17 1.06 -0.75 4.18 4.40 2yqjB1 ILE 195 HB -0.35 -0.06 0.03 -0.04 1.89 1.47 2yqjB1 ILE 195 HG12 -0.13 0.04 -0.18 -0.04 1.49 1.18 2yqjB1 ILE 195 HG13 -0.25 -0.07 -0.67 -0.04 1.21 0.18 2yqjB1 ILE 195 HG23 0.06 -0.01 -0.18 -0.04 0.93 0.76 2yqjB1 ILE 195 HD13 -0.26 0.01 -0.08 -0.04 0.88 0.51 2yqjB1 PHE 196 H -0.08 0.19 0.16 -0.55 8.34 8.06 2yqjB1 PHE 196 HA -0.01 0.25 0.75 -0.75 4.62 4.87 2yqjB1 PHE 196 HB2 -0.02 0.01 0.09 -0.04 3.15 3.18 2yqjB1 PHE 196 HB3 -0.06 -0.06 0.02 -0.04 3.06 2.91 2yqjB1 PHE 196 HD2 -0.15 0.04 -0.01 -0.04 7.28 7.12 2yqjB1 PHE 196 HE2 -0.39 0.01 -0.09 -0.04 7.38 6.86 2yqjB1 PHE 196 HZ -0.96 -0.02 -0.08 -0.04 7.32 6.22 2yqjB1 PHE 197 H 0.10 0.43 0.30 -0.55 8.34 8.61 2yqjB1 PHE 197 HA 0.06 0.07 0.54 -0.75 4.62 4.54 2yqjB1 PHE 197 HB2 0.04 0.05 0.08 -0.04 3.15 3.27 2yqjB1 PHE 197 HB3 0.06 0.14 -0.26 -0.04 3.06 2.96 2yqjB1 PHE 197 HD2 0.03 0.13 -0.27 -0.04 7.28 7.13 2yqjB1 PHE 197 HE2 0.02 -0.03 -0.38 -0.04 7.38 6.94 2yqjB1 PHE 197 HZ -0.03 -0.03 -0.15 -0.04 7.32 7.07 2yqjB1 ASN 198 H 0.08 0.18 0.12 -0.55 8.53 8.37 2yqjB1 ASN 198 HA -0.16 0.28 0.83 -0.75 4.76 4.95 2yqjB1 ASN 198 HB2 0.02 0.02 0.07 -0.04 2.88 2.95 2yqjB1 ASN 198 HB3 -0.02 0.08 -0.03 -0.04 2.79 2.78 2yqjB1 ASN 198 HD21 -0.01 -0.02 -0.09 -0.04 7.03 6.86 2yqjB1 ASN 198 HD22 0.01 0.05 -0.05 -0.04 7.74 7.71 2yqjB1 GLN 199 H -0.14 0.42 0.38 -0.55 8.47 8.59 2yqjB1 GLN 199 HA -0.01 0.10 0.64 -0.75 4.36 4.34 2yqjB1 GLN 199 HB2 -0.03 -0.04 0.02 -0.04 2.15 2.05 2yqjB1 GLN 199 HB3 -0.12 -0.02 -0.01 -0.04 2.02 1.82 2yqjB1 GLN 199 HG2 -0.09 0.12 0.08 -0.04 2.40 2.47 2yqjB1 GLN 199 HG3 -0.04 0.13 -0.13 -0.04 2.39 2.31 2yqjB1 GLN 199 HE21 -0.02 -0.06 -0.33 -0.04 6.97 6.52 2yqjB1 GLN 199 HE22 -0.02 0.07 -0.11 -0.04 7.69 7.59 2yqjB1 GLY 200 H 0.03 0.08 0.12 -0.55 8.43 8.11 2yqjB1 GLY 200 HA2 0.02 0.15 0.53 -0.51 4.01 4.20 2yqjB1 GLY 200 HA3 0.03 0.10 0.40 -0.51 4.01 4.03 2yqjB1 THR 201 H 0.02 0.26 0.20 -0.55 8.28 8.22 2yqjB1 THR 201 HA -0.01 0.13 0.93 -0.75 4.39 4.69 2yqjB1 THR 201 HB 0.00 -0.05 0.03 -0.04 4.32 4.26 2yqjB1 THR 201 HG23 0.00 -0.03 -0.32 -0.04 1.22 0.83 2yqjB1 LEU 202 H -0.01 0.52 0.31 -0.55 8.37 8.64 2yqjB1 LEU 202 HA 0.01 0.16 0.75 -0.75 4.35 4.52 2yqjB1 LEU 202 HB2 -0.10 0.01 0.03 -0.04 1.64 1.54 2yqjB1 LEU 202 HB3 -0.09 0.11 0.03 -0.04 1.64 1.64 2yqjB1 LEU 202 HG -0.09 -0.11 -0.35 -0.04 1.64 1.04 2yqjB1 LEU 202 HD13 -0.59 0.01 -0.13 -0.04 0.93 0.18 2yqjB1 LEU 202 HD23 -0.02 0.04 0.10 -0.04 0.89 0.96 2yqjB1 PRO 203 HA -0.04 0.15 0.62 -0.51 4.44 4.65 2yqjB1 PRO 203 HB2 -0.44 0.02 -0.06 -0.04 2.28 1.77 2yqjB1 PRO 203 HB3 -0.18 0.04 0.11 -0.04 2.02 1.95 2yqjB1 PRO 203 HG2 0.06 0.04 0.03 -0.04 2.03 2.12 2yqjB1 PRO 203 HG3 0.02 0.02 0.04 -0.04 2.03 2.07 2yqjB1 PRO 203 HD2 0.18 0.12 0.14 -0.04 3.68 4.08 2yqjB1 PRO 203 HD3 0.07 0.12 0.21 -0.04 3.65 4.01 2yqjB1 CYS 204 H -0.08 0.63 0.28 -0.55 8.50 8.80 2yqjB1 CYS 204 HA 0.12 0.16 0.76 -0.75 4.58 4.87 2yqjB1 CYS 204 HB2 -0.02 -0.07 0.03 -0.04 2.97 2.88 2yqjB1 CYS 204 HB3 0.03 0.04 -0.02 -0.04 2.97 2.98 2yqjB1 PHE 205 H 0.31 0.55 0.31 -0.55 8.34 8.96 2yqjB1 PHE 205 HA 0.03 0.21 1.06 -0.75 4.62 5.16 2yqjB1 PHE 205 HB2 0.02 0.04 -0.01 -0.04 3.15 3.16 2yqjB1 PHE 205 HB3 0.03 -0.19 -0.01 -0.04 3.06 2.84 2yqjB1 PHE 205 HD2 0.02 -0.06 -0.44 -0.04 7.28 6.75 2yqjB1 PHE 205 HE2 0.02 0.05 -0.19 -0.04 7.38 7.21 2yqjB1 PHE 205 HZ 0.06 -0.04 -0.19 -0.04 7.32 7.11 2yqjB1 ASN 206 H 0.19 0.32 0.25 -0.55 8.53 8.73 2yqjB1 ASN 206 HA 0.08 0.27 0.64 -0.75 4.76 4.99 2yqjB1 ASN 206 HB2 0.07 -0.04 0.19 -0.04 2.88 3.06 2yqjB1 ASN 206 HB3 0.07 0.12 0.14 -0.04 2.79 3.08 2yqjB1 ASN 206 HD21 0.07 0.01 -0.00 -0.04 7.03 7.08 2yqjB1 ASN 206 HD22 0.06 0.10 0.03 -0.04 7.74 7.90 2yqjB1 LEU 207 H 0.06 0.24 0.06 -0.55 8.37 8.17 2yqjB1 LEU 207 HA 0.04 0.09 0.19 -0.75 4.35 3.92 2yqjB1 LEU 207 HB2 0.04 -0.04 0.05 -0.04 1.64 1.65 2yqjB1 LEU 207 HB3 0.03 0.06 -0.06 -0.04 1.64 1.63 2yqjB1 LEU 207 HG 0.04 -0.02 -0.25 -0.04 1.64 1.36 2yqjB1 LEU 207 HD13 0.02 0.07 -0.04 -0.04 0.93 0.95 2yqjB1 LEU 207 HD23 0.03 -0.01 -0.16 -0.04 0.89 0.70 2yqjB1 GLN 208 H 0.05 -0.01 -0.24 -0.55 8.47 7.72 2yqjB1 GLN 208 HA 0.02 0.20 0.50 -0.75 4.36 4.33 2yqjB1 GLN 208 HB2 0.03 -0.02 0.04 -0.04 2.15 2.16 2yqjB1 GLN 208 HB3 0.05 -0.13 -0.00 -0.04 2.02 1.90 2yqjB1 GLN 208 HG2 0.03 0.04 -0.05 -0.04 2.40 2.37 2yqjB1 GLN 208 HG3 0.02 0.08 0.08 -0.04 2.39 2.53 2yqjB1 GLN 208 HE21 0.02 -0.03 -0.01 -0.04 6.97 6.91 2yqjB1 GLN 208 HE22 0.01 0.06 0.01 -0.04 7.69 7.73 2yqjB1 GLY 209 H 0.08 0.32 -0.61 -0.55 8.43 7.68 2yqjB1 GLY 209 HA2 0.09 -0.02 0.16 -0.51 4.01 3.74 2yqjB1 GLY 209 HA3 -0.05 0.20 0.21 -0.51 4.01 3.86 2yqjB1 ASN 210 H 0.13 -0.16 -0.20 -0.55 8.53 7.75 2yqjB1 ASN 210 HA 0.12 0.34 0.90 -0.75 4.76 5.36 2yqjB1 ASN 210 HB2 0.07 0.02 0.06 -0.04 2.88 2.99 2yqjB1 ASN 210 HB3 0.05 0.13 -0.12 -0.04 2.79 2.80 2yqjB1 ASN 210 HD21 0.05 -0.06 -0.08 -0.04 7.03 6.91 2yqjB1 ASN 210 HD22 0.06 0.05 -0.07 -0.04 7.74 7.73 2yqjB1 LYS 211 H 0.20 -0.12 0.06 -0.55 8.42 8.01 2yqjB1 LYS 211 HA 0.11 0.29 1.04 -0.75 4.32 5.01 2yqjB1 LYS 211 HB2 0.08 -0.15 0.07 -0.04 1.87 1.84 2yqjB1 LYS 211 HB3 0.05 0.09 -0.09 -0.04 1.79 1.80 2yqjB1 LYS 211 HG2 0.05 -0.05 -0.00 -0.04 1.46 1.42 2yqjB1 LYS 211 HG3 0.05 0.00 0.08 -0.04 1.46 1.55 2yqjB1 LYS 211 HD2 0.09 0.43 -0.36 -0.04 1.69 1.80 2yqjB1 LYS 211 HD3 0.07 -0.12 -0.22 -0.04 1.68 1.36 2yqjB1 LYS 211 HE2 0.05 -0.13 0.03 -0.04 2.99 2.90 2yqjB1 LYS 211 HE3 0.06 0.10 0.20 -0.04 2.99 3.31 2yqjB1 ILE 212 H -0.05 0.16 0.10 -0.55 8.25 7.91 2yqjB1 ILE 212 HA -0.66 0.23 0.59 -0.75 4.18 3.58 2yqjB1 ILE 212 HB -0.13 -0.07 0.09 -0.04 1.89 1.74 2yqjB1 ILE 212 HG12 -0.89 0.06 -0.06 -0.04 1.49 0.56 2yqjB1 ILE 212 HG13 -0.32 -0.02 -0.04 -0.04 1.21 0.78 2yqjB1 ILE 212 HG23 -0.21 0.03 -0.06 -0.04 0.93 0.65 2yqjB1 ILE 212 HD13 0.08 -0.01 -0.01 -0.04 0.88 0.91 2yqjB1 LEU 213 H -0.16 0.61 0.28 -0.55 8.37 8.55 2yqjB1 LEU 213 HA -0.01 0.10 0.64 -0.75 4.35 4.33 2yqjB1 LEU 213 HB2 -0.02 -0.05 -0.02 -0.04 1.64 1.51 2yqjB1 LEU 213 HB3 0.02 0.11 -0.08 -0.04 1.64 1.65 2yqjB1 LEU 213 HG 0.02 -0.07 -0.41 -0.04 1.64 1.13 2yqjB1 LEU 213 HD13 0.03 0.02 -0.16 -0.04 0.93 0.78 2yqjB1 LEU 213 HD23 0.05 0.00 -0.07 -0.04 0.89 0.83 2yqjB1 LEU 214 H 0.03 0.18 0.12 -0.55 8.37 8.15 2yqjB1 LEU 214 HA 0.01 0.07 0.78 -0.75 4.35 4.45 2yqjB1 LEU 214 HB2 0.05 -0.03 0.02 -0.04 1.64 1.63 2yqjB1 LEU 214 HB3 -0.02 0.19 -0.11 -0.04 1.64 1.66 2yqjB1 LEU 214 HG 0.03 -0.04 -0.10 -0.04 1.64 1.49 2yqjB1 LEU 214 HD13 0.15 0.01 -0.02 -0.04 0.93 1.03 2yqjB1 LEU 214 HD23 0.03 0.02 -0.08 -0.04 0.89 0.82 2yqjB1 GLU 215 H 0.00 0.72 0.37 -0.55 8.60 9.16 2yqjB1 GLU 215 HA 0.12 0.10 0.71 -0.75 4.29 4.46 2yqjB1 GLU 215 HB2 0.03 -0.02 -0.35 -0.04 2.09 1.71 2yqjB1 GLU 215 HB3 0.01 -0.08 -0.08 -0.04 1.99 1.79 2yqjB1 GLU 215 HG2 0.12 -0.05 -0.07 -0.04 2.34 2.30 2yqjB1 GLU 215 HG3 0.12 0.19 0.10 -0.04 2.34 2.71 2yqjB1 LEU 216 H -0.06 0.34 0.22 -0.55 8.37 8.32 2yqjB1 LEU 216 HA -0.09 0.22 0.72 -0.75 4.35 4.44 2yqjB1 LEU 216 HB2 -0.16 -0.05 -0.05 -0.04 1.64 1.34 2yqjB1 LEU 216 HB3 -0.17 -0.07 0.09 -0.04 1.64 1.45 2yqjB1 LEU 216 HG -0.11 -0.01 -0.23 -0.04 1.64 1.25 2yqjB1 LEU 216 HD13 -0.14 0.01 -0.06 -0.04 0.93 0.69 2yqjB1 LEU 216 HD23 -0.29 0.07 -0.06 -0.04 0.89 0.56 2yqjB1 LYS 217 H -0.22 0.17 0.09 -0.55 8.42 7.91 2yqjB1 LYS 217 HA -0.28 0.14 0.36 -0.75 4.32 3.78 2yqjB1 LYS 217 HB2 -0.23 -0.05 0.07 -0.04 1.87 1.62 2yqjB1 LYS 217 HB3 -0.18 0.03 -0.04 -0.04 1.79 1.56 2yqjB1 LYS 217 HG2 -1.34 0.05 0.03 -0.04 1.46 0.16 2yqjB1 LYS 217 HG3 -0.48 -0.00 0.05 -0.04 1.46 0.98 2yqjB1 LYS 217 HD2 -0.21 -0.03 0.01 -0.04 1.69 1.42 2yqjB1 LYS 217 HD3 -0.18 0.01 -0.00 -0.04 1.68 1.47 2yqjB1 LYS 217 HE2 -0.71 0.04 0.02 -0.04 2.99 2.30 2yqjB1 LYS 217 HE3 -0.33 0.02 0.03 -0.04 2.99 2.68 2yqjB1 ASN 218 H -0.31 -0.01 -0.45 -0.55 8.53 7.22 2yqjB1 ASN 218 HA -1.23 0.27 0.78 -0.75 4.76 3.82 2yqjB1 ASN 218 HB2 -0.27 0.10 0.08 -0.04 2.88 2.75 2yqjB1 ASN 218 HB3 -0.25 -0.04 -0.15 -0.04 2.79 2.31 2yqjB1 ASN 218 HD21 -0.06 -0.02 0.03 -0.04 7.03 6.94 2yqjB1 ASN 218 HD22 -0.05 0.16 0.16 -0.04 7.74 7.97 2yqjB1 SER 219 H -0.45 0.55 -0.21 -0.55 8.46 7.80 2yqjB1 SER 219 HA 0.08 0.14 0.66 -0.75 4.49 4.61 2yqjB1 SER 219 HB2 -0.09 0.06 -0.31 -0.04 3.95 3.57 2yqjB1 SER 219 HB3 -0.09 -0.21 0.00 -0.04 3.93 3.59 2yqjB1 ILE 220 H 0.18 0.17 0.13 -0.55 8.25 8.18 2yqjB1 ILE 220 HA 0.03 0.13 0.89 -0.75 4.18 4.47 2yqjB1 ILE 220 HB -0.05 0.16 0.08 -0.04 1.89 2.03 2yqjB1 ILE 220 HG12 0.03 -0.09 0.03 -0.04 1.49 1.43 2yqjB1 ILE 220 HG13 -0.00 -0.01 -0.33 -0.04 1.21 0.83 2yqjB1 ILE 220 HG23 -0.01 -0.00 -0.06 -0.04 0.93 0.81 2yqjB1 ILE 220 HD13 -0.07 0.01 -0.08 -0.04 0.88 0.70 2yqjB1 CYS 221 H -0.02 0.76 0.27 -0.55 8.50 8.96 2yqjB1 CYS 221 HA 0.01 0.04 0.58 -0.75 4.58 4.46 2yqjB1 CYS 221 HB2 0.02 0.03 -0.13 -0.04 2.97 2.85 2yqjB1 CYS 221 HB3 -0.01 -0.02 0.10 -0.04 2.97 2.99 2yqjB1 GLN 222 H 0.01 0.21 0.24 -0.55 8.47 8.38 2yqjB1 GLN 222 HA -0.01 0.20 0.80 -0.75 4.36 4.60 2yqjB1 GLN 222 HB2 0.01 -0.02 -0.04 -0.04 2.15 2.05 2yqjB1 GLN 222 HB3 0.00 -0.08 -0.04 -0.04 2.02 1.86 2yqjB1 GLN 222 HG2 -0.00 0.01 -0.24 -0.04 2.40 2.12 2yqjB1 GLN 222 HG3 -0.01 0.03 -0.57 -0.04 2.39 1.80 2yqjB1 GLN 222 HE21 0.02 0.04 -0.10 -0.04 6.97 6.89 2yqjB1 GLN 222 HE22 0.02 0.02 -0.17 -0.04 7.69 7.51 2yqjB1 SER 223 H -0.00 0.35 0.25 -0.55 8.46 8.51 2yqjB1 SER 223 HA 0.00 0.07 0.59 -0.75 4.49 4.40 2yqjB1 SER 223 HB2 0.00 -0.03 0.13 -0.04 3.95 4.01 2yqjB1 SER 223 HB3 0.01 0.10 -0.13 -0.04 3.93 3.86 2yqjB1 PRO 224 HA -0.01 0.27 0.57 -0.51 4.44 4.76 2yqjB1 PRO 224 HB2 -0.00 -0.10 0.08 -0.04 2.28 2.22 2yqjB1 PRO 224 HB3 -0.02 0.00 0.07 -0.04 2.02 2.04 2yqjB1 PRO 224 HG2 -0.01 0.09 0.14 -0.04 2.03 2.21 2yqjB1 PRO 224 HG3 -0.01 -0.03 0.14 -0.04 2.03 2.09 2yqjB1 PRO 224 HD2 0.00 0.09 0.25 -0.04 3.68 3.98 2yqjB1 PRO 224 HD3 -0.00 0.15 0.23 -0.04 3.65 3.99 2yqjB1 ASP 225 H -0.01 0.48 0.20 -0.55 8.40 8.52 2yqjB1 ASP 225 HA -0.05 0.34 0.57 -0.75 4.63 4.74 2yqjB1 ASP 225 HB2 -0.03 0.00 0.10 -0.04 2.71 2.74 2yqjB1 ASP 225 HB3 -0.02 0.04 -0.24 -0.04 2.70 2.44 2yqjB1 GLY 226 H 0.00 0.19 -0.53 -0.55 8.43 7.54 2yqjB1 GLY 226 HA2 0.05 0.01 0.37 -0.51 4.01 3.94 2yqjB1 GLY 226 HA3 0.06 0.14 0.72 -0.51 4.01 4.42 2yqjB1 ASN 227 H 0.03 0.16 0.17 -0.55 8.53 8.35 2yqjB1 ASN 227 HA -0.02 0.08 0.37 -0.75 4.76 4.44 2yqjB1 ASN 227 HB2 -0.01 0.06 0.14 -0.04 2.88 3.02 2yqjB1 ASN 227 HB3 -0.01 -0.02 0.13 -0.04 2.79 2.85 2yqjB1 ASN 227 HD21 -0.07 0.01 0.04 -0.04 7.03 6.97 2yqjB1 ASN 227 HD22 -0.00 0.02 0.05 -0.04 7.74 7.77 2yqjB1 GLY 228 H 0.04 0.56 -0.57 -0.55 8.43 7.92 2yqjB1 GLY 228 HA2 0.00 0.04 0.11 -0.51 4.01 3.65 2yqjB1 GLY 228 HA3 0.06 0.04 -0.48 -0.51 4.01 3.12 2yqjB1 GLY 229 H 0.02 0.66 -0.36 -0.55 8.43 8.21 2yqjB1 GLY 229 HA2 0.09 0.10 0.36 -0.51 4.01 4.05 2yqjB1 GLY 229 HA3 0.03 0.04 0.22 -0.51 4.01 3.80 2yqjB1 LEU 230 H -0.10 0.36 -0.82 -0.55 8.37 7.26 2yqjB1 LEU 230 HA 0.01 -0.01 0.25 -0.75 4.35 3.85 2yqjB1 LEU 230 HB2 -0.11 0.00 0.08 -0.04 1.64 1.56 2yqjB1 LEU 230 HB3 -0.44 0.07 0.03 -0.04 1.64 1.27 2yqjB1 LEU 230 HG 0.09 -0.03 -0.05 -0.04 1.64 1.62 2yqjB1 LEU 230 HD13 -0.03 -0.01 -0.09 -0.04 0.93 0.77 2yqjB1 LEU 230 HD23 -0.23 0.00 -0.36 -0.04 0.89 0.27 2yqjB1 TYR 231 H -0.20 0.36 -0.28 -0.55 8.29 7.62 2yqjB1 TYR 231 HA 0.09 0.05 0.32 -0.75 4.56 4.26 2yqjB1 TYR 231 HB2 0.15 0.07 0.02 -0.04 3.06 3.26 2yqjB1 TYR 231 HB3 0.24 0.01 0.00 -0.04 2.98 3.19 2yqjB1 TYR 231 HD2 0.12 0.08 -0.00 -0.04 7.15 7.31 2yqjB1 TYR 231 HE2 -0.08 0.02 0.00 -0.04 6.85 6.75 2yqjB1 LYS 232 H 0.19 0.22 -0.14 -0.55 8.42 8.14 2yqjB1 LYS 232 HA 0.12 0.07 0.47 -0.75 4.32 4.23 2yqjB1 LYS 232 HB2 0.13 0.06 0.11 -0.04 1.87 2.13 2yqjB1 LYS 232 HB3 0.11 0.04 0.13 -0.04 1.79 2.04 2yqjB1 LYS 232 HG2 0.08 -0.04 -0.16 -0.04 1.46 1.31 2yqjB1 LYS 232 HG3 0.08 0.00 0.06 -0.04 1.46 1.57 2yqjB1 LYS 232 HD2 0.10 0.07 0.04 -0.04 1.69 1.85 2yqjB1 LYS 232 HD3 0.08 -0.05 0.02 -0.04 1.68 1.70 2yqjB1 LYS 232 HE2 0.07 0.04 0.04 -0.04 2.99 3.10 2yqjB1 LYS 232 HE3 0.07 -0.03 0.01 -0.04 2.99 3.00 2yqjB1 ALA 233 H 0.12 0.49 -0.17 -0.55 8.40 8.28 2yqjB1 ALA 233 HA 0.14 0.05 0.41 -0.75 4.34 4.19 2yqjB1 ALA 233 HB3 0.22 0.01 -0.01 -0.04 1.41 1.59 2yqjB1 LEU 234 H 0.11 0.47 -0.33 -0.55 8.37 8.07 2yqjB1 LEU 234 HA -0.24 0.01 0.36 -0.75 4.35 3.72 2yqjB1 LEU 234 HB2 0.03 0.21 0.16 -0.04 1.64 1.99 2yqjB1 LEU 234 HB3 -0.04 -0.01 -0.04 -0.04 1.64 1.50 2yqjB1 LEU 234 HG -0.23 -0.08 -0.12 -0.04 1.64 1.17 2yqjB1 LEU 234 HD13 -0.29 0.01 -0.11 -0.04 0.93 0.50 2yqjB1 LEU 234 HD23 -0.07 0.00 -0.14 -0.04 0.89 0.65 2yqjB1 LYS 235 H 0.04 0.43 -0.13 -0.55 8.42 8.21 2yqjB1 LYS 235 HA -0.03 -0.04 0.40 -0.75 4.32 3.89 2yqjB1 LYS 235 HB2 0.02 0.04 0.11 -0.04 1.87 2.00 2yqjB1 LYS 235 HB3 0.04 0.07 0.18 -0.04 1.79 2.03 2yqjB1 LYS 235 HG2 0.01 0.02 -0.03 -0.04 1.46 1.41 2yqjB1 LYS 235 HG3 -0.00 0.00 -0.16 -0.04 1.46 1.26 2yqjB1 ASP 236 H 0.04 0.56 0.01 -0.55 8.40 8.46 2yqjB1 ASP 236 HA 0.02 0.05 0.39 -0.75 4.63 4.34 2yqjB1 ASP 236 HB2 0.07 0.05 0.08 -0.04 2.71 2.86 2yqjB1 ASP 236 HB3 0.05 -0.02 0.04 -0.04 2.70 2.72 2yqjB1 ASN 237 H 0.04 0.44 -0.30 -0.55 8.53 8.17 2yqjB1 ASN 237 HA 0.05 0.16 0.75 -0.75 4.76 4.96 2yqjB1 ASN 237 HB2 0.07 0.12 0.12 -0.04 2.88 3.14 2yqjB1 ASN 237 HB3 0.12 -0.04 0.21 -0.04 2.79 3.04 2yqjB1 ASN 237 HD21 0.16 0.08 0.08 -0.04 7.03 7.31 2yqjB1 ASN 237 HD22 0.22 0.53 0.22 -0.04 7.74 8.68 2yqjB1 GLY 238 H -0.02 0.36 -0.60 -0.55 8.43 7.62 2yqjB1 GLY 238 HA2 -0.04 0.03 0.31 -0.51 4.01 3.80 2yqjB1 GLY 238 HA3 -0.03 0.06 0.33 -0.51 4.01 3.86 2yqjB1 ILE 239 H -0.17 0.29 -0.40 -0.55 8.25 7.41 2yqjB1 ILE 239 HA -0.21 0.11 0.40 -0.75 4.18 3.73 2yqjB1 ILE 239 HB -0.48 -0.05 0.10 -0.04 1.89 1.42 2yqjB1 ILE 239 HG12 -0.48 0.05 -0.09 -0.04 1.49 0.94 2yqjB1 ILE 239 HG13 -1.68 -0.06 -0.12 -0.04 1.21 -0.69 2yqjB1 ILE 239 HG23 -0.82 -0.01 -0.15 -0.04 0.93 -0.10 2yqjB1 ILE 239 HD13 -0.12 0.01 -0.14 -0.04 0.88 0.59 2yqjB1 LEU 240 H -0.17 0.45 -0.13 -0.55 8.37 7.97 2yqjB1 LEU 240 HA -0.17 0.04 0.27 -0.75 4.35 3.74 2yqjB1 LEU 240 HB2 -0.09 -0.03 -0.10 -0.04 1.64 1.37 2yqjB1 LEU 240 HB3 -0.08 0.03 -0.08 -0.04 1.64 1.47 2yqjB1 LEU 240 HG -0.08 0.01 -0.23 -0.04 1.64 1.30 2yqjB1 LEU 240 HD13 -0.09 -0.00 -0.05 -0.04 0.93 0.75 2yqjB1 LEU 240 HD23 -0.08 0.01 -0.09 -0.04 0.89 0.69 2yqjB1 ASP 241 H -0.08 0.12 -0.57 -0.55 8.40 7.32 2yqjB1 ASP 241 HA -0.05 0.05 0.44 -0.75 4.63 4.31 2yqjB1 ASP 241 HB2 -0.04 0.20 0.07 -0.04 2.71 2.90 2yqjB1 ASP 241 HB3 -0.03 -0.01 0.01 -0.04 2.70 2.63 2yqjB1 ASP 242 H -0.07 0.45 -0.11 -0.55 8.40 8.12 2yqjB1 ASP 242 HA 0.00 0.01 0.41 -0.75 4.63 4.30 2yqjB1 ASP 242 HB2 0.01 0.12 0.17 -0.04 2.71 2.96 2yqjB1 ASP 242 HB3 0.02 0.04 0.08 -0.04 2.70 2.80 2yqjB1 LEU 243 H -0.12 0.47 -0.25 -0.55 8.37 7.92 2yqjB1 LEU 243 HA -0.00 0.02 0.31 -0.75 4.35 3.93 2yqjB1 LEU 243 HB2 -0.12 0.15 0.12 -0.04 1.64 1.74 2yqjB1 LEU 243 HB3 -0.07 0.03 -0.09 -0.04 1.64 1.47 2yqjB1 LEU 243 HG -0.09 -0.02 -0.13 -0.04 1.64 1.35 2yqjB1 LEU 243 HD13 -0.28 0.00 -0.12 -0.04 0.93 0.49 2yqjB1 LEU 243 HD23 -0.25 -0.00 -0.20 -0.04 0.89 0.39 2yqjB1 ASN 244 H -0.05 0.37 -0.15 -0.55 8.53 8.15 2yqjB1 ASN 244 HA -0.02 0.06 0.44 -0.75 4.76 4.48 2yqjB1 ASN 244 HB2 -0.03 0.06 0.12 -0.04 2.88 2.99 2yqjB1 ASN 244 HB3 -0.03 -0.03 0.02 -0.04 2.79 2.71 2yqjB1 ASN 244 HD21 -0.06 -0.08 -0.05 -0.04 7.03 6.80 2yqjB1 ASN 244 HD22 -0.05 -0.03 -0.01 -0.04 7.74 7.61 2yqjB1 SER 245 H -0.01 0.58 -0.11 -0.55 8.46 8.38 2yqjB1 SER 245 HA -0.00 -0.02 0.38 -0.75 4.49 4.09 2yqjB1 SER 245 HB2 0.01 0.09 0.15 -0.04 3.95 4.15 2yqjB1 SER 245 HB3 0.00 -0.06 0.02 -0.04 3.93 3.86 2yqjB1 LYS 246 H 0.02 0.48 -0.26 -0.55 8.42 8.11 2yqjB1 LYS 246 HA 0.02 0.08 0.58 -0.75 4.32 4.25 2yqjB1 LYS 246 HB2 0.06 0.06 0.09 -0.04 1.87 2.04 2yqjB1 LYS 246 HB3 0.05 0.00 0.12 -0.04 1.79 1.92 2yqjB1 LYS 246 HG2 0.04 -0.03 0.01 -0.04 1.46 1.44 2yqjB1 LYS 246 HG3 0.04 -0.04 -0.02 -0.04 1.46 1.40 2yqjB1 LYS 246 HD2 0.12 0.00 -0.05 -0.04 1.69 1.72 2yqjB1 LYS 246 HD3 0.07 -0.01 0.01 -0.04 1.68 1.70 2yqjB1 LYS 246 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.94 2yqjB1 LYS 246 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.94 2yqjB1 GLY 247 H 0.00 0.33 -0.44 -0.55 8.43 7.78 2yqjB1 GLY 247 HA2 -0.00 -0.03 0.29 -0.51 4.01 3.76 2yqjB1 GLY 247 HA3 0.01 0.03 0.47 -0.51 4.01 4.01 2yqjB1 ILE 248 H 0.01 0.44 -0.05 -0.55 8.25 8.10 2yqjB1 ILE 248 HA 0.03 0.15 0.64 -0.75 4.18 4.24 2yqjB1 ILE 248 HB 0.03 -0.04 0.06 -0.04 1.89 1.90 2yqjB1 ILE 248 HG12 0.10 0.03 -0.31 -0.04 1.49 1.27 2yqjB1 ILE 248 HG13 0.07 0.16 -0.23 -0.04 1.21 1.16 2yqjB1 ILE 248 HG23 0.07 -0.04 -0.34 -0.04 0.93 0.58 2yqjB1 ILE 248 HD13 0.16 -0.03 -0.07 -0.04 0.88 0.90 2yqjB1 LYS 249 H -0.05 0.42 0.41 -0.55 8.42 8.64 2yqjB1 LYS 249 HA -0.14 0.08 0.94 -0.75 4.32 4.44 2yqjB1 LYS 249 HB2 -0.59 0.04 0.15 -0.04 1.87 1.43 2yqjB1 LYS 249 HB3 -0.51 -0.10 0.09 -0.04 1.79 1.23 2yqjB1 LYS 249 HG2 -0.10 -0.05 -0.07 -0.04 1.46 1.20 2yqjB1 LYS 249 HG3 -0.07 0.24 -0.03 -0.04 1.46 1.56 2yqjB1 HIS 250 H 0.01 0.80 0.39 -0.55 8.41 9.07 2yqjB1 HIS 250 HA -0.01 0.21 1.18 -0.75 4.63 5.26 2yqjB1 HIS 250 HB2 0.14 -0.05 0.02 -0.04 3.26 3.33 2yqjB1 HIS 250 HB3 0.35 -0.01 -0.01 -0.04 3.20 3.49 2yqjB1 HIS 250 HD2 0.07 0.00 -0.15 -0.04 6.97 6.85 2yqjB1 HIS 250 HE1 0.04 0.04 -0.08 -0.04 7.75 7.71 2yqjB1 ILE 251 H -0.07 0.58 0.34 -0.55 8.25 8.56 2yqjB1 ILE 251 HA 0.20 0.40 1.11 -0.75 4.18 5.14 2yqjB1 ILE 251 HB 0.14 0.01 -0.09 -0.04 1.89 1.91 2yqjB1 ILE 251 HG12 0.01 -0.02 -0.17 -0.04 1.49 1.27 2yqjB1 ILE 251 HG13 0.10 0.05 0.04 -0.04 1.21 1.36 2yqjB1 ILE 251 HG23 0.04 0.01 -0.36 -0.04 0.93 0.58 2yqjB1 ILE 251 HD13 0.20 -0.01 -0.55 -0.04 0.88 0.48 2yqjB1 HIS 252 H 0.34 0.57 0.39 -0.55 8.41 9.16 2yqjB1 HIS 252 HA 0.31 0.29 1.05 -0.75 4.63 5.53 2yqjB1 HIS 252 HB2 0.27 0.02 -0.03 -0.04 3.26 3.48 2yqjB1 HIS 252 HB3 0.25 -0.02 0.21 -0.04 3.20 3.60 2yqjB1 HIS 252 HD2 0.51 0.25 -0.05 -0.04 6.97 7.63 2yqjB1 HIS 252 HE1 -0.04 0.19 -0.06 -0.04 7.75 7.79 2yqjB1 MET 253 H 0.51 0.81 0.34 -0.55 8.47 9.58 2yqjB1 MET 253 HA 0.21 0.35 1.12 -0.75 4.52 5.44 2yqjB1 MET 253 HB2 0.55 -0.06 0.09 -0.04 2.15 2.70 2yqjB1 MET 253 HB3 0.27 -0.03 -0.03 -0.04 2.03 2.20 2yqjB1 MET 253 HG2 0.17 0.03 -0.07 -0.04 2.63 2.71 2yqjB1 MET 253 HG3 0.29 -0.00 -0.24 -0.04 2.56 2.56 2yqjB1 MET 253 HE3 -0.53 0.01 -0.16 -0.04 2.10 1.38 2yqjB1 TYR 254 H -0.03 0.59 0.42 -0.55 8.29 8.73 2yqjB1 TYR 254 HA 0.01 0.37 0.90 -0.75 4.56 5.08 2yqjB1 TYR 254 HB2 0.05 0.03 0.22 -0.04 3.06 3.31 2yqjB1 TYR 254 HB3 -0.19 -0.02 -0.23 -0.04 2.98 2.50 2yqjB1 TYR 254 HD2 -0.05 0.10 -0.13 -0.04 7.15 7.03 2yqjB1 TYR 254 HE2 0.25 0.03 -0.18 -0.04 6.85 6.90 2yqjB1 CYS 255 H 0.17 0.37 0.33 -0.55 8.50 8.83 2yqjB1 CYS 255 HA -0.04 0.07 0.82 -0.75 4.58 4.67 2yqjB1 CYS 255 HB2 0.07 0.00 0.14 -0.04 2.97 3.14 2yqjB1 CYS 255 HB3 0.13 0.13 0.21 -0.04 2.97 3.40 2yqjB1 VAL 256 H -0.03 0.33 0.31 -0.55 8.24 8.29 2yqjB1 VAL 256 HA 0.10 0.15 0.33 -0.75 4.13 3.96 2yqjB1 VAL 256 HB 0.00 0.15 0.14 -0.04 2.12 2.37 2yqjB1 VAL 256 HG13 -0.04 -0.02 -0.01 -0.04 0.97 0.85 2yqjB1 VAL 256 HG23 -0.15 -0.01 -0.04 -0.04 0.95 0.71 2yqjB1 ASP 257 H 0.02 0.02 -0.21 -0.55 8.40 7.68 2yqjB1 ASP 257 HA -0.04 0.21 0.48 -0.75 4.63 4.53 2yqjB1 ASP 257 HB2 -0.07 -0.01 0.21 -0.04 2.71 2.80 2yqjB1 ASP 257 HB3 -0.05 -0.00 0.09 -0.04 2.70 2.70 2yqjB1 ASN 258 H 0.11 0.32 -0.36 -0.55 8.53 8.06 2yqjB1 ASN 258 HA -0.04 0.08 0.44 -0.75 4.76 4.49 2yqjB1 ASN 258 HB2 0.18 -0.00 0.02 -0.04 2.88 3.03 2yqjB1 ASN 258 HB3 0.18 0.14 0.17 -0.04 2.79 3.24 2yqjB1 ASN 258 HD21 0.19 0.87 0.15 -0.04 7.03 8.20 2yqjB1 ASN 258 HD22 0.23 0.03 0.06 -0.04 7.74 8.01 2yqjB1 CYS 259 H -0.01 0.47 0.23 -0.55 8.50 8.64 2yqjB1 CYS 259 HA 0.09 0.11 0.36 -0.75 4.58 4.38 2yqjB1 CYS 259 HB2 0.10 -0.00 0.10 -0.04 2.97 3.12 2yqjB1 CYS 259 HB3 0.01 -0.02 0.09 -0.04 2.97 3.02 2yqjB1 LEU 260 H 0.03 -0.10 -0.51 -0.55 8.37 7.23 2yqjB1 LEU 260 HA -0.04 0.28 0.82 -0.75 4.35 4.65 2yqjB1 LEU 260 HB2 -0.01 -0.15 -0.52 -0.04 1.64 0.92 2yqjB1 LEU 260 HB3 -0.08 0.23 -0.18 -0.04 1.64 1.57 2yqjB1 LEU 260 HG -0.02 -0.14 -0.28 -0.04 1.64 1.17 2yqjB1 LEU 260 HD13 -0.10 -0.03 -0.45 -0.04 0.93 0.32 2yqjB1 LEU 260 HD23 -0.15 0.04 -0.28 -0.04 0.89 0.46 2yqjB1 VAL 261 H 0.06 0.28 -0.29 -0.55 8.24 7.74 2yqjB1 VAL 261 HA 0.03 0.05 0.27 -0.75 4.13 3.72 2yqjB1 VAL 261 HB 0.13 -0.05 0.10 -0.04 2.12 2.26 2yqjB1 VAL 261 HG13 0.04 0.04 -0.02 -0.04 0.97 1.00 2yqjB1 VAL 261 HG23 -0.04 -0.02 -0.22 -0.04 0.95 0.62 2yqjB1 LYS 262 H -0.00 0.10 0.12 -0.55 8.42 8.08 2yqjB1 LYS 262 HA -0.16 0.19 0.57 -0.75 4.32 4.17 2yqjB1 LYS 262 HB2 0.03 -0.10 0.20 -0.04 1.87 1.96 2yqjB1 LYS 262 HB3 0.17 -0.06 0.02 -0.04 1.79 1.88 2yqjB1 LYS 262 HG2 -0.09 0.12 0.01 -0.04 1.46 1.47 2yqjB1 LYS 262 HG3 -0.00 0.11 0.06 -0.04 1.46 1.58 2yqjB1 LYS 262 HD2 0.04 -0.08 -0.01 -0.04 1.69 1.60 2yqjB1 LYS 262 HD3 0.17 -0.10 -0.01 -0.04 1.68 1.70 2yqjB1 LYS 262 HE2 0.10 0.04 -0.01 -0.04 2.99 3.08 2yqjB1 LYS 262 HE3 0.08 0.09 -0.02 -0.04 2.99 3.09 2yqjB1 VAL 263 H -0.06 0.31 0.05 -0.55 8.24 7.99 2yqjB1 VAL 263 HA -0.05 -0.01 0.31 -0.75 4.13 3.63 2yqjB1 VAL 263 HB -0.08 0.02 -0.01 -0.04 2.12 2.01 2yqjB1 VAL 263 HG13 -0.18 0.01 -0.18 -0.04 0.97 0.58 2yqjB1 VAL 263 HG23 -0.41 0.04 -0.04 -0.04 0.95 0.50 2yqjB1 ALA 264 H 0.75 0.11 0.09 -0.55 8.40 8.81 2yqjB1 ALA 264 HA 0.26 0.00 0.19 -0.75 4.34 4.04 2yqjB1 ALA 264 HB3 0.09 0.07 -0.10 -0.04 1.41 1.43 2yqjB1 ASP 265 H 0.04 0.26 -0.38 -0.55 8.40 7.78 2yqjB1 ASP 265 HA 0.14 0.14 0.17 -0.75 4.63 4.32 2yqjB1 ASP 265 HB2 0.08 0.22 0.05 -0.04 2.71 3.02 2yqjB1 ASP 265 HB3 0.03 -0.08 0.07 -0.04 2.70 2.68 2yqjB1 PRO 266 HA -0.04 0.10 0.39 -0.51 4.44 4.39 2yqjB1 PRO 266 HB2 -0.09 0.14 0.15 -0.04 2.28 2.45 2yqjB1 PRO 266 HB3 -0.11 0.12 0.02 -0.04 2.02 2.00 2yqjB1 PRO 266 HG2 -0.06 -0.09 0.08 -0.04 2.03 1.92 2yqjB1 PRO 266 HG3 -0.19 0.09 0.07 -0.04 2.03 1.96 2yqjB1 PRO 266 HD2 -0.05 0.02 0.14 -0.04 3.68 3.75 2yqjB1 PRO 266 HD3 -0.25 0.28 0.13 -0.04 3.65 3.78 2yqjB1 ILE 267 H 0.05 0.14 -0.29 -0.55 8.25 7.61 2yqjB1 ILE 267 HA 0.18 0.09 0.17 -0.75 4.18 3.87 2yqjB1 ILE 267 HB 0.11 -0.02 -0.03 -0.04 1.89 1.91 2yqjB1 ILE 267 HG12 0.12 0.11 -0.01 -0.04 1.49 1.68 2yqjB1 ILE 267 HG13 0.06 -0.04 -0.02 -0.04 1.21 1.17 2yqjB1 ILE 267 HG23 0.28 0.01 -0.21 -0.04 0.93 0.96 2yqjB1 ILE 267 HD13 0.05 0.01 -0.03 -0.04 0.88 0.86 2yqjB1 PHE 268 H 0.17 0.17 -0.33 -0.55 8.34 7.80 2yqjB1 PHE 268 HA -0.05 0.04 0.30 -0.75 4.62 4.16 2yqjB1 PHE 268 HB2 -0.08 -0.06 -0.02 -0.04 3.15 2.96 2yqjB1 PHE 268 HB3 -0.13 0.15 -0.05 -0.04 3.06 3.00 2yqjB1 PHE 268 HD2 -0.16 -0.01 -0.13 -0.04 7.28 6.94 2yqjB1 PHE 268 HE2 0.17 -0.01 -0.44 -0.04 7.38 7.06 2yqjB1 PHE 268 HZ 0.13 0.05 -0.37 -0.04 7.32 7.09 2yqjB1 ILE 269 H 0.00 0.42 -0.26 -0.55 8.25 7.87 2yqjB1 ILE 269 HA -0.35 0.04 0.35 -0.75 4.18 3.48 2yqjB1 ILE 269 HB -0.09 0.05 0.06 -0.04 1.89 1.87 2yqjB1 ILE 269 HG12 0.09 -0.02 -0.17 -0.04 1.49 1.35 2yqjB1 ILE 269 HG13 -0.01 -0.10 -0.19 -0.04 1.21 0.87 2yqjB1 ILE 269 HG23 -0.25 0.01 -0.15 -0.04 0.93 0.49 2yqjB1 ILE 269 HD13 0.05 0.01 -0.31 -0.04 0.88 0.59 2yqjB1 GLY 270 H -0.10 0.72 -0.13 -0.55 8.43 8.37 2yqjB1 GLY 270 HA2 -0.21 -0.01 0.25 -0.51 4.01 3.53 2yqjB1 GLY 270 HA3 -0.08 0.21 0.36 -0.51 4.01 3.99 2yqjB1 PHE 271 H -0.30 0.52 -0.36 -0.55 8.34 7.65 2yqjB1 PHE 271 HA -2.11 -0.02 0.33 -0.75 4.62 2.07 2yqjB1 PHE 271 HB2 -0.71 -0.00 0.05 -0.04 3.15 2.44 2yqjB1 PHE 271 HB3 -0.40 0.23 0.10 -0.04 3.06 2.94 2yqjB1 PHE 271 HD2 -0.71 0.01 -0.10 -0.04 7.28 6.45 2yqjB1 PHE 271 HE2 0.03 -0.00 -0.25 -0.04 7.38 7.11 2yqjB1 PHE 271 HZ 0.04 0.07 -0.27 -0.04 7.32 7.12 2yqjB1 ALA 272 H -0.57 0.42 -0.24 -0.55 8.40 7.46 2yqjB1 ALA 272 HA -0.77 -0.02 0.27 -0.75 4.34 3.07 2yqjB1 ALA 272 HB3 -1.23 0.04 -0.05 -0.04 1.41 0.13 2yqjB1 ILE 273 H -0.51 0.58 -0.18 -0.55 8.25 7.59 2yqjB1 ILE 273 HA -0.22 0.04 0.41 -0.75 4.18 3.66 2yqjB1 ILE 273 HB -0.28 0.01 0.09 -0.04 1.89 1.68 2yqjB1 ILE 273 HG12 -0.18 -0.02 -0.04 -0.04 1.49 1.21 2yqjB1 ILE 273 HG13 -0.49 0.04 -0.06 -0.04 1.21 0.66 2yqjB1 ILE 273 HG23 -0.10 -0.00 -0.15 -0.04 0.93 0.64 2yqjB1 ILE 273 HD13 -0.41 -0.03 -0.19 -0.04 0.88 0.22 2yqjB1 ALA 274 H -0.44 0.83 -0.04 -0.55 8.40 8.19 2yqjB1 ALA 274 HA -0.15 -0.00 0.38 -0.75 4.34 3.81 2yqjB1 ALA 274 HB3 -0.22 -0.02 0.06 -0.04 1.41 1.18 2yqjB1 LYS 275 H -0.73 0.37 -0.33 -0.55 8.42 7.18 2yqjB1 LYS 275 HA -0.45 0.14 0.77 -0.75 4.32 4.02 2yqjB1 LYS 275 HB2 -2.39 -0.05 -0.07 -0.04 1.87 -0.69 2yqjB1 LYS 275 HB3 -1.33 0.01 0.07 -0.04 1.79 0.50 2yqjB1 LYS 275 HG2 -0.71 0.04 -0.05 -0.04 1.46 0.70 2yqjB1 LYS 275 HG3 -0.92 -0.08 -0.09 -0.04 1.46 0.32 2yqjB1 LYS 275 HD2 -0.22 0.05 -0.03 -0.04 1.69 1.45 2yqjB1 LYS 275 HD3 -0.15 0.01 -0.16 -0.04 1.68 1.34 2yqjB1 LYS 275 HE2 0.34 -0.08 -0.08 -0.04 2.99 3.13 2yqjB1 LYS 275 HE3 0.24 0.02 -0.10 -0.04 2.99 3.12 2yqjB1 LYS 276 H -0.43 0.27 -0.45 -0.55 8.42 7.25 2yqjB1 LYS 276 HA -0.20 0.04 0.33 -0.75 4.32 3.73 2yqjB1 LYS 276 HB2 -0.18 0.12 -0.13 -0.04 1.87 1.64 2yqjB1 LYS 276 HB3 -0.10 -0.10 0.16 -0.04 1.79 1.71 2yqjB1 PHE 277 H -0.54 0.21 -0.16 -0.55 8.34 7.30 2yqjB1 PHE 277 HA -0.20 0.14 0.48 -0.75 4.62 4.29 2yqjB1 PHE 277 HB2 -0.51 -0.14 -0.10 -0.04 3.15 2.35 2yqjB1 PHE 277 HB3 -0.32 0.02 -0.13 -0.04 3.06 2.60 2yqjB1 PHE 277 HD2 -0.64 -0.06 -0.28 -0.04 7.28 6.26 2yqjB1 PHE 277 HE2 -0.87 -0.01 -0.17 -0.04 7.38 6.28 2yqjB1 PHE 277 HZ -0.20 0.05 -0.06 -0.04 7.32 7.06 2yqjB1 ASP 278 H -0.03 0.58 0.42 -0.55 8.40 8.82 2yqjB1 ASP 278 HA 0.01 0.05 0.72 -0.75 4.63 4.66 2yqjB1 ASP 278 HB2 -0.43 0.09 0.22 -0.04 2.71 2.56 2yqjB1 ASP 278 HB3 -1.21 -0.08 0.07 -0.04 2.70 1.44 2yqjB1 LEU 279 H -0.16 0.47 0.24 -0.55 8.37 8.37 2yqjB1 LEU 279 HA -0.06 0.29 0.80 -0.75 4.35 4.63 2yqjB1 LEU 279 HB2 -0.21 0.03 -0.11 -0.04 1.64 1.30 2yqjB1 LEU 279 HB3 -0.21 -0.01 0.06 -0.04 1.64 1.44 2yqjB1 LEU 279 HG -0.48 -0.03 -0.21 -0.04 1.64 0.88 2yqjB1 LEU 279 HD13 -0.55 0.06 0.09 -0.04 0.93 0.48 2yqjB1 LEU 279 HD23 -0.28 -0.01 -0.06 -0.04 0.89 0.49 2yqjB1 ALA 280 H -0.10 0.52 0.38 -0.55 8.40 8.65 2yqjB1 ALA 280 HA -0.75 0.36 0.95 -0.75 4.34 4.14 2yqjB1 ALA 280 HB3 -0.15 -0.02 -0.05 -0.04 1.41 1.15 2yqjB1 THR 281 H -0.02 0.46 0.36 -0.55 8.28 8.53 2yqjB1 THR 281 HA 0.49 0.24 0.96 -0.75 4.39 5.34 2yqjB1 THR 281 HB 0.07 0.04 -0.34 -0.04 4.32 4.05 2yqjB1 THR 281 HG23 0.14 0.03 -0.14 -0.04 1.22 1.20 2yqjB1 LYS 282 H 0.02 0.42 0.33 -0.55 8.42 8.65 2yqjB1 LYS 282 HA -0.15 0.37 1.03 -0.75 4.32 4.80 2yqjB1 LYS 282 HB2 -0.23 -0.07 0.11 -0.04 1.87 1.63 2yqjB1 LYS 282 HB3 -0.23 0.02 0.01 -0.04 1.79 1.55 2yqjB1 LYS 282 HG2 -0.67 0.03 -0.06 -0.04 1.46 0.71 2yqjB1 LYS 282 HG3 -1.33 0.01 -0.08 -0.04 1.46 0.01 2yqjB1 LYS 282 HD2 -0.33 0.01 -0.05 -0.04 1.69 1.29 2yqjB1 LYS 282 HD3 -0.28 -0.01 -0.07 -0.04 1.68 1.27 2yqjB1 LYS 282 HE2 -0.50 -0.03 -0.10 -0.04 2.99 2.32 2yqjB1 LYS 282 HE3 -0.99 0.00 -0.09 -0.04 2.99 1.88 2yqjB1 VAL 283 H -0.12 0.57 0.42 -0.55 8.24 8.56 2yqjB1 VAL 283 HA -0.14 0.26 0.82 -0.75 4.13 4.32 2yqjB1 VAL 283 HB -0.08 -0.02 -0.11 -0.04 2.12 1.88 2yqjB1 VAL 283 HG13 -0.02 -0.02 -0.47 -0.04 0.97 0.42 2yqjB1 VAL 283 HG23 -0.05 -0.00 -0.26 -0.04 0.95 0.59 2yqjB1 VAL 284 H -0.15 0.53 0.27 -0.55 8.24 8.34 2yqjB1 VAL 284 HA -0.07 0.19 0.88 -0.75 4.13 4.37 2yqjB1 VAL 284 HB -0.04 -0.04 0.14 -0.04 2.12 2.13 2yqjB1 VAL 284 HG13 -0.07 0.04 -0.25 -0.04 0.97 0.64 2yqjB1 VAL 284 HG23 -0.17 0.03 -0.16 -0.04 0.95 0.61 2yqjB1 ARG 285 H -0.04 0.07 0.18 -0.55 8.46 8.12 2yqjB1 ARG 285 HA -0.04 0.19 0.55 -0.75 4.34 4.29 2yqjB1 ARG 285 HB2 -0.03 -0.04 0.16 -0.04 1.90 1.95 2yqjB1 ARG 285 HB3 -0.02 -0.07 0.14 -0.04 1.80 1.81 2yqjB1 LYS 286 H -0.03 0.36 0.32 -0.55 8.42 8.51 2yqjB1 LYS 286 HA -0.03 -0.03 0.40 -0.75 4.32 3.91 2yqjB1 LYS 286 HB2 -0.04 -0.03 0.04 -0.04 1.87 1.81 2yqjB1 LYS 286 HB3 -0.02 0.01 0.04 -0.04 1.79 1.78 2yqjB1 LYS 286 HG2 -0.00 -0.14 -0.21 -0.04 1.46 1.07 2yqjB1 LYS 286 HG3 -0.02 -0.05 -0.01 -0.04 1.46 1.33 2yqjB1 LYS 286 HD2 -0.02 0.06 -0.05 -0.04 1.69 1.65 2yqjB1 LYS 286 HD3 -0.00 -0.03 -0.19 -0.04 1.68 1.42 2yqjB1 LYS 286 HE2 0.01 0.15 -0.06 -0.04 2.99 3.04 2yqjB1 LYS 286 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.88 2yqjB1 ARG 287 H 0.01 0.05 0.16 -0.55 8.46 8.13 2yqjB1 ARG 287 HA 0.01 0.09 0.41 -0.75 4.34 4.10 2yqjB1 ARG 287 HB2 0.04 0.01 0.15 -0.04 1.90 2.06 2yqjB1 ARG 287 HB3 0.02 -0.13 0.19 -0.04 1.80 1.84 2yqjB1 ARG 287 HG2 0.01 -0.02 -0.12 -0.04 1.67 1.50 2yqjB1 ARG 287 HG3 0.01 0.04 0.02 -0.04 1.67 1.71 2yqjB1 ARG 287 HD2 0.02 0.01 -0.01 -0.04 3.22 3.20 2yqjB1 ARG 287 HD3 0.03 0.02 0.02 -0.04 3.22 3.25 2yqjB1 ASP 288 H 0.00 0.14 0.12 -0.55 8.40 8.11 2yqjB1 ASP 288 HA 0.01 0.25 0.50 -0.75 4.63 4.63 2yqjB1 ASP 288 HB2 0.01 -0.02 0.10 -0.04 2.71 2.75 2yqjB1 ASP 288 HB3 0.01 0.21 0.02 -0.04 2.70 2.89 2yqjB1 ALA 289 H 0.01 0.22 0.12 -0.55 8.40 8.20 2yqjB1 ALA 289 HA 0.02 0.19 0.33 -0.75 4.34 4.12 2yqjB1 ALA 289 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 2yqjB1 ASN 290 H 0.01 -0.11 -0.70 -0.55 8.53 7.18 2yqjB1 ASN 290 HA 0.02 0.27 0.75 -0.75 4.76 5.04 2yqjB1 GLU 291 H -0.00 0.54 0.00 -0.55 8.60 8.60 2yqjB1 GLU 291 HA -0.04 -0.04 0.36 -0.75 4.29 3.82 2yqjB1 GLU 291 HB2 -0.00 -0.18 0.20 -0.04 2.09 2.07 2yqjB1 GLU 291 HB3 -0.01 0.07 0.09 -0.04 1.99 2.11 2yqjB1 GLU 291 HG2 -0.01 0.05 -0.22 -0.04 2.34 2.12 2yqjB1 GLU 291 HG3 0.00 -0.01 0.03 -0.04 2.34 2.32 2yqjB1 SER 292 H -0.15 0.07 0.13 -0.55 8.46 7.96 2yqjB1 SER 292 HA -0.39 0.18 0.57 -0.75 4.49 4.09 2yqjB1 SER 292 HB2 -0.42 -0.05 0.22 -0.04 3.95 3.65 2yqjB1 SER 292 HB3 -1.49 -0.05 0.12 -0.04 3.93 2.47 2yqjB1 VAL 293 H 0.00 0.67 0.13 -0.55 8.24 8.49 2yqjB1 VAL 293 HA 0.06 0.09 0.89 -0.75 4.13 4.41 2yqjB1 VAL 293 HB -0.05 0.05 0.04 -0.04 2.12 2.12 2yqjB1 VAL 293 HG13 0.02 -0.03 -0.26 -0.04 0.97 0.65 2yqjB1 VAL 293 HG23 -0.02 0.01 -0.13 -0.04 0.95 0.76 2yqjB1 GLY 294 H 0.05 0.08 0.17 -0.55 8.43 8.18 2yqjB1 GLY 294 HA2 -0.06 0.24 0.63 -0.51 4.01 4.31 2yqjB1 GLY 294 HA3 -0.21 -0.07 0.25 -0.51 4.01 3.47 2yqjB1 LEU 295 H -0.20 0.41 0.25 -0.55 8.37 8.29 2yqjB1 LEU 295 HA -0.12 0.30 0.90 -0.75 4.35 4.67 2yqjB1 LEU 295 HB2 -0.16 -0.03 0.05 -0.04 1.64 1.46 2yqjB1 LEU 295 HB3 -0.14 -0.01 -0.16 -0.04 1.64 1.29 2yqjB1 LEU 295 HG -0.06 0.07 -0.35 -0.04 1.64 1.27 2yqjB1 LEU 295 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 2yqjB1 LEU 295 HD23 -0.07 -0.04 -0.42 -0.04 0.89 0.32 2yqjB1 ILE 296 H -0.10 0.66 0.23 -0.55 8.25 8.48 2yqjB1 ILE 296 HA -0.13 0.22 0.83 -0.75 4.18 4.35 2yqjB1 ILE 296 HB -0.01 -0.03 0.06 -0.04 1.89 1.88 2yqjB1 ILE 296 HG12 -0.03 -0.04 -0.20 -0.04 1.49 1.17 2yqjB1 ILE 296 HG13 -0.03 0.02 -0.17 -0.04 1.21 0.99 2yqjB1 ILE 296 HG23 0.11 0.01 -0.17 -0.04 0.93 0.84 2yqjB1 ILE 296 HD13 0.20 -0.00 -0.18 -0.04 0.88 0.85 2yqjB1 VAL 297 H -0.14 0.74 0.40 -0.55 8.24 8.69 2yqjB1 VAL 297 HA -0.09 0.07 0.84 -0.75 4.13 4.19 2yqjB1 VAL 297 HB -0.06 0.18 0.22 -0.04 2.12 2.41 2yqjB1 VAL 297 HG13 -0.21 -0.04 -0.40 -0.04 0.97 0.28 2yqjB1 VAL 297 HG23 -0.45 -0.00 -0.27 -0.04 0.95 0.18 2yqjB1 LEU 298 H 0.00 0.47 0.07 -0.55 8.37 8.36 2yqjB1 LEU 298 HA -0.02 0.24 0.72 -0.75 4.35 4.54 2yqjB1 LEU 298 HB2 0.00 -0.01 -0.28 -0.04 1.64 1.31 2yqjB1 LEU 298 HB3 0.05 -0.08 -0.23 -0.04 1.64 1.34 2yqjB1 LEU 298 HG 0.04 0.00 -0.44 -0.04 1.64 1.20 2yqjB1 LEU 298 HD13 -0.02 0.04 -0.39 -0.04 0.93 0.53 2yqjB1 LEU 298 HD23 0.03 0.00 -0.15 -0.04 0.89 0.74 2yqjB1 ASP 299 H 0.06 0.79 0.17 -0.55 8.40 8.88 2yqjB1 ASP 299 HA 0.31 0.15 0.74 -0.75 4.63 5.08 2yqjB1 ASP 299 HB2 0.20 0.08 0.01 -0.04 2.71 2.96 2yqjB1 ASP 299 HB3 0.09 -0.06 0.22 -0.04 2.70 2.91 2yqjB1 GLN 300 H 0.08 0.56 0.25 -0.55 8.47 8.81 2yqjB1 GLN 300 HA 0.04 0.03 0.29 -0.75 4.36 3.97 2yqjB1 GLN 300 HB2 0.00 0.08 0.03 -0.04 2.15 2.22 2yqjB1 GLN 300 HB3 0.02 0.01 -0.01 -0.04 2.02 1.99 2yqjB1 GLN 300 HG2 0.06 -0.03 -0.10 -0.04 2.40 2.29 2yqjB1 GLN 300 HG3 0.09 0.01 -0.24 -0.04 2.39 2.21 2yqjB1 GLN 300 HE21 0.05 -0.00 -0.05 -0.04 6.97 6.93 2yqjB1 GLN 300 HE22 0.06 -0.01 -0.06 -0.04 7.69 7.64 2yqjB1 ASP 301 H -0.02 0.07 -0.28 -0.55 8.40 7.62 2yqjB1 ASP 301 HA -0.01 0.09 0.37 -0.75 4.63 4.33 2yqjB1 ASP 301 HB2 -0.02 -0.04 0.05 -0.04 2.71 2.66 2yqjB1 ASP 301 HB3 -0.02 0.06 -0.00 -0.04 2.70 2.70 2yqjB1 ASN 302 H 0.02 0.09 -0.11 -0.55 8.53 7.99 2yqjB1 ASN 302 HA 0.02 0.26 0.97 -0.75 4.76 5.25 2yqjB1 ASN 302 HB2 0.03 0.06 0.10 -0.04 2.88 3.03 2yqjB1 ASN 302 HB3 0.02 -0.02 -0.05 -0.04 2.79 2.71 2yqjB1 ASN 302 HD21 0.06 -0.00 -0.03 -0.04 7.03 7.02 2yqjB1 ASN 302 HD22 0.04 0.05 -0.02 -0.04 7.74 7.77 2yqjB1 GLN 303 H 0.03 0.40 -0.03 -0.55 8.47 8.32 2yqjB1 GLN 303 HA 0.02 -0.04 0.23 -0.75 4.36 3.82 2yqjB1 GLN 303 HB2 0.02 0.23 -0.02 -0.04 2.15 2.34 2yqjB1 GLN 303 HB3 0.02 -0.09 0.20 -0.04 2.02 2.12 2yqjB1 GLN 303 HG2 0.02 0.08 -0.27 -0.04 2.40 2.19 2yqjB1 GLN 303 HG3 0.02 -0.05 -0.06 -0.04 2.39 2.27 2yqjB1 GLN 303 HE21 0.03 -0.16 0.03 -0.04 6.97 6.83 2yqjB1 GLN 303 HE22 0.02 0.52 0.09 -0.04 7.69 8.28 2yqjB1 LYS 304 H 0.02 0.09 0.00 -0.55 8.42 7.98 2yqjB1 LYS 304 HA -0.03 0.22 0.91 -0.75 4.32 4.67 2yqjB1 LYS 304 HB2 0.03 -0.18 0.00 -0.04 1.87 1.69 2yqjB1 LYS 304 HB3 0.02 0.11 0.11 -0.04 1.79 1.99 2yqjB1 LYS 304 HG2 0.04 0.08 -0.30 -0.04 1.46 1.23 2yqjB1 LYS 304 HG3 0.06 0.17 0.06 -0.04 1.46 1.71 2yqjB1 LYS 304 HD2 0.03 0.19 0.13 -0.04 1.69 2.00 2yqjB1 LYS 304 HD3 0.01 -0.03 0.22 -0.04 1.68 1.84 2yqjB1 LYS 304 HE2 0.05 -0.30 0.14 -0.04 2.99 2.84 2yqjB1 LYS 304 HE3 0.05 -0.05 0.03 -0.04 2.99 2.98 2yqjB1 PRO 305 HA -0.17 0.23 0.80 -0.51 4.44 4.78 2yqjB1 PRO 305 HB2 -1.08 -0.02 -0.06 -0.04 2.28 1.07 2yqjB1 PRO 305 HB3 -0.59 -0.00 0.00 -0.04 2.02 1.39 2yqjB1 PRO 305 HG2 -0.60 0.05 -0.10 -0.04 2.03 1.34 2yqjB1 PRO 305 HG3 -0.98 0.06 -0.05 -0.04 2.03 1.02 2yqjB1 PRO 305 HD2 -0.13 0.24 0.17 -0.04 3.68 3.91 2yqjB1 PRO 305 HD3 -0.18 0.09 0.09 -0.04 3.65 3.61 2yqjB1 CYS 306 H -0.12 0.59 0.35 -0.55 8.50 8.77 2yqjB1 CYS 306 HA 0.05 0.09 0.40 -0.75 4.58 4.37 2yqjB1 CYS 306 HB2 0.03 -0.01 0.09 -0.04 2.97 3.03 2yqjB1 CYS 306 HB3 0.04 0.17 -0.31 -0.04 2.97 2.82 2yqjB1 VAL 307 H -0.14 0.26 0.10 -0.55 8.24 7.91 2yqjB1 VAL 307 HA -0.32 0.41 1.02 -0.75 4.13 4.49 2yqjB1 VAL 307 HB -1.54 -0.05 -0.02 -0.04 2.12 0.47 2yqjB1 VAL 307 HG13 -0.88 -0.03 -0.33 -0.04 0.97 -0.30 2yqjB1 VAL 307 HG23 -0.30 0.00 -0.22 -0.04 0.95 0.39 2yqjB1 ILE 308 H -0.34 0.53 0.23 -0.55 8.25 8.12 2yqjB1 ILE 308 HA -0.12 0.19 0.81 -0.75 4.18 4.30 2yqjB1 ILE 308 HB -0.21 -0.03 0.09 -0.04 1.89 1.69 2yqjB1 ILE 308 HG12 -1.20 0.04 -0.13 -0.04 1.49 0.16 2yqjB1 ILE 308 HG13 -0.68 -0.01 -0.11 -0.04 1.21 0.36 2yqjB1 ILE 308 HG23 0.02 0.03 -0.10 -0.04 0.93 0.83 2yqjB1 ILE 308 HD13 -0.75 -0.00 -0.08 -0.04 0.88 0.00 2yqjB1 GLU 309 H 0.03 0.22 0.06 -0.55 8.60 8.35 2yqjB1 GLU 309 HA -0.13 -0.00 0.40 -0.75 4.29 3.81 2yqjB1 GLU 309 HB2 0.13 0.08 0.06 -0.04 2.09 2.31 2yqjB1 GLU 309 HB3 0.01 0.03 0.02 -0.04 1.99 2.01 2yqjB1 GLU 309 HG2 -0.41 0.11 -0.03 -0.04 2.34 1.98 2yqjB1 GLU 309 HG3 -0.76 -0.26 -0.01 -0.04 2.34 1.27 2yqjB1 TYR 310 H -0.06 0.08 -0.04 -0.55 8.29 7.72 2yqjB1 TYR 310 HA -0.01 0.20 0.38 -0.75 4.56 4.38 2yqjB1 TYR 310 HB2 -0.00 0.16 0.09 -0.04 3.06 3.27 2yqjB1 TYR 310 HB3 -0.02 0.09 -0.09 -0.04 2.98 2.91 2yqjB1 TYR 310 HD2 -0.01 -0.00 -0.34 -0.04 7.15 6.75 2yqjB1 TYR 310 HE2 -0.01 0.01 -0.06 -0.04 6.85 6.75 2yqjB1 SER 311 H -0.64 -0.07 -0.38 -0.55 8.46 6.83 2yqjB1 SER 311 HA 0.02 0.23 0.58 -0.75 4.49 4.56 2yqjB1 SER 311 HB2 -0.05 0.09 0.09 -0.04 3.95 4.04 2yqjB1 SER 311 HB3 -0.33 -0.03 0.01 -0.04 3.93 3.54 2yqjB1 GLU 312 H -0.02 0.28 -0.39 -0.55 8.60 7.93 2yqjB1 GLU 312 HA 0.05 0.26 0.87 -0.75 4.29 4.72 2yqjB1 GLU 312 HB2 0.10 -0.08 -0.02 -0.04 2.09 2.05 2yqjB1 GLU 312 HB3 0.10 0.05 0.09 -0.04 1.99 2.19 2yqjB1 GLU 312 HG2 0.10 0.19 -0.26 -0.04 2.34 2.33 2yqjB1 GLU 312 HG3 0.09 -0.23 -0.31 -0.04 2.34 1.85 2yqjB1 ILE 313 H 0.04 0.17 -0.10 -0.55 8.25 7.81 2yqjB1 ILE 313 HA 0.10 0.03 0.55 -0.75 4.18 4.11 2yqjB1 ILE 313 HB 0.02 0.04 -0.06 -0.04 1.89 1.85 2yqjB1 ILE 313 HG12 0.08 0.06 -0.03 -0.04 1.49 1.56 2yqjB1 ILE 313 HG13 0.10 -0.06 0.02 -0.04 1.21 1.23 2yqjB1 ILE 313 HG23 0.06 0.04 -0.08 -0.04 0.93 0.91 2yqjB1 ILE 313 HD13 0.02 0.01 -0.13 -0.04 0.88 0.74 2yqjB1 SER 314 H 0.10 0.09 0.16 -0.55 8.46 8.27 2yqjB1 SER 314 HA 0.06 0.17 0.46 -0.75 4.49 4.42 2yqjB1 GLN 315 H 0.04 0.20 0.18 -0.55 8.47 8.34 2yqjB1 GLN 315 HA 0.05 0.18 0.41 -0.75 4.36 4.24 2yqjB1 GLU 316 H 0.04 0.03 -0.21 -0.55 8.60 7.92 2yqjB1 GLU 316 HA 0.03 0.14 0.43 -0.75 4.29 4.13 2yqjB1 LEU 317 H 0.07 0.02 -0.18 -0.55 8.37 7.74 2yqjB1 LEU 317 HA 0.11 0.08 0.40 -0.75 4.35 4.18 2yqjB1 LEU 317 HB2 0.12 0.02 0.12 -0.04 1.64 1.86 2yqjB1 LEU 317 HB3 0.17 0.03 -0.02 -0.04 1.64 1.77 2yqjB1 LEU 317 HG 0.10 -0.07 0.08 -0.04 1.64 1.71 2yqjB1 LEU 317 HD13 0.26 -0.00 0.04 -0.04 0.93 1.19 2yqjB1 LEU 317 HD23 0.15 0.03 0.04 -0.04 0.89 1.06 2yqjB1 ALA 318 H 0.07 0.50 -0.20 -0.55 8.40 8.21 2yqjB1 ALA 318 HA 0.05 0.03 0.40 -0.75 4.34 4.07 2yqjB1 ALA 318 HB3 0.05 0.03 0.06 -0.04 1.41 1.52 2yqjB1 ASN 319 H 0.05 0.29 -0.41 -0.55 8.53 7.91 2yqjB1 ASN 319 HA 0.04 0.08 0.70 -0.75 4.76 4.83 2yqjB1 ASN 319 HB2 0.03 0.11 0.12 -0.04 2.88 3.11 2yqjB1 ASN 319 HB3 0.03 -0.09 0.07 -0.04 2.79 2.76 2yqjB1 ASN 319 HD21 0.03 -0.10 -0.02 -0.04 7.03 6.89 2yqjB1 ASN 319 HD22 0.03 0.59 0.13 -0.04 7.74 8.45 2yqjB1 LYS 320 H 0.07 0.26 -0.28 -0.55 8.42 7.92 2yqjB1 LYS 320 HA 0.04 -0.06 0.43 -0.75 4.32 3.97 2yqjB1 LYS 320 HB2 0.07 0.04 0.16 -0.04 1.87 2.10 2yqjB1 LYS 320 HB3 0.16 0.02 0.14 -0.04 1.79 2.06 2yqjB1 LYS 320 HG2 0.00 0.19 -0.13 -0.04 1.46 1.48 2yqjB1 LYS 320 HG3 -0.03 -0.05 0.08 -0.04 1.46 1.41 2yqjB1 LYS 320 HD2 -0.01 -0.04 0.02 -0.04 1.69 1.62 2yqjB1 LYS 320 HD3 0.07 -0.04 -0.01 -0.04 1.68 1.66 2yqjB1 LYS 320 HE2 -0.57 0.04 0.02 -0.04 2.99 2.45 2yqjB1 LYS 320 HE3 -0.21 -0.02 0.02 -0.04 2.99 2.74 2yqjB1 LYS 321 H 0.03 0.06 0.21 -0.55 8.42 8.17 2yqjB1 LYS 321 HA 0.07 0.11 0.70 -0.75 4.32 4.44 2yqjB1 LYS 321 HB2 0.02 -0.09 0.02 -0.04 1.87 1.78 2yqjB1 LYS 321 HB3 0.03 0.12 0.01 -0.04 1.79 1.91 2yqjB1 ASP 322 H 0.09 1.02 0.20 -0.55 8.40 9.16 2yqjB1 ASP 322 HA 0.23 0.06 0.44 -0.75 4.63 4.61 2yqjB1 ASP 322 HB2 0.15 0.10 -0.34 -0.04 2.71 2.58 2yqjB1 ASP 322 HB3 0.09 0.17 0.10 -0.04 2.70 3.02 2yqjB1 PRO 323 HA -0.03 0.10 0.37 -0.51 4.44 4.36 2yqjB1 PRO 323 HB2 -0.04 -0.05 0.10 -0.04 2.28 2.25 2yqjB1 PRO 323 HB3 -0.07 0.04 0.07 -0.04 2.02 2.02 2yqjB1 PRO 323 HG2 -0.36 0.03 0.09 -0.04 2.03 1.75 2yqjB1 PRO 323 HG3 -0.21 0.08 0.09 -0.04 2.03 1.95 2yqjB1 PRO 323 HD2 -0.04 0.03 0.21 -0.04 3.68 3.84 2yqjB1 PRO 323 HD3 -0.24 0.34 0.30 -0.04 3.65 4.01 2yqjB1 GLN 324 H 0.06 0.12 -0.13 -0.55 8.47 7.97 2yqjB1 GLN 324 HA 0.02 0.12 0.47 -0.75 4.36 4.22 2yqjB1 GLN 324 HB2 0.07 -0.01 0.01 -0.04 2.15 2.18 2yqjB1 GLN 324 HB3 0.04 0.01 0.08 -0.04 2.02 2.11 2yqjB1 ASP 325 H 0.05 0.30 -0.85 -0.55 8.40 7.35 2yqjB1 ASP 325 HA 0.02 0.07 0.55 -0.75 4.63 4.53 2yqjB1 ASP 325 HB2 0.03 0.09 -0.28 -0.04 2.71 2.51 2yqjB1 ASP 325 HB3 0.04 -0.04 0.10 -0.04 2.70 2.76 2yqjB1 SER 326 H 0.02 0.16 0.05 -0.55 8.46 8.13 2yqjB1 SER 326 HA 0.02 0.16 0.30 -0.75 4.49 4.22 2yqjB1 SER 327 H 0.02 -0.04 -0.59 -0.55 8.46 7.30 2yqjB1 SER 327 HA 0.02 0.21 0.83 -0.75 4.49 4.79 2yqjB1 SER 327 HB2 0.01 0.01 0.06 -0.04 3.95 3.99 2yqjB1 SER 327 HB3 0.01 -0.03 -0.01 -0.04 3.93 3.86 2yqjB1 LYS 328 H 0.03 0.33 0.03 -0.55 8.42 8.26 2yqjB1 LYS 328 HA 0.02 0.15 0.81 -0.75 4.32 4.54 2yqjB1 LYS 328 HB2 0.04 0.01 0.02 -0.04 1.87 1.89 2yqjB1 LYS 328 HB3 0.02 0.05 0.04 -0.04 1.79 1.86 2yqjB1 LYS 328 HG2 0.01 0.03 -0.06 -0.04 1.46 1.40 2yqjB1 LYS 328 HG3 0.02 -0.12 -0.05 -0.04 1.46 1.27 2yqjB1 LYS 328 HD2 0.03 -0.01 -0.03 -0.04 1.69 1.64 2yqjB1 LYS 328 HD3 0.01 0.01 -0.03 -0.04 1.68 1.64 2yqjB1 LYS 328 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 2yqjB1 LYS 328 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2yqjB1 LEU 329 H 0.03 0.10 0.10 -0.55 8.37 8.05 2yqjB1 LEU 329 HA 0.07 0.18 0.55 -0.75 4.35 4.40 2yqjB1 LEU 329 HB2 0.02 -0.10 -0.06 -0.04 1.64 1.46 2yqjB1 LEU 329 HB3 0.05 0.17 -0.03 -0.04 1.64 1.79 2yqjB1 LEU 329 HG 0.02 -0.07 0.01 -0.04 1.64 1.57 2yqjB1 LEU 329 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 2yqjB1 LEU 329 HD23 0.04 0.03 -0.06 -0.04 0.89 0.86 2yqjB1 PHE 330 H 0.21 0.61 -0.07 -0.55 8.34 8.54 2yqjB1 PHE 330 HA 0.01 -0.03 0.25 -0.75 4.62 4.10 2yqjB1 PHE 330 HB2 0.02 0.17 -0.39 -0.04 3.15 2.91 2yqjB1 PHE 330 HB3 0.03 0.07 -0.10 -0.04 3.06 3.02 2yqjB1 PHE 330 HD2 0.03 -0.01 -0.05 -0.04 7.28 7.21 2yqjB1 PHE 330 HE2 0.04 0.07 -0.01 -0.04 7.38 7.45 2yqjB1 PHE 330 HZ 0.04 -0.08 0.08 -0.04 7.32 7.32 2yqjB1 LEU 331 H 0.06 0.29 -0.24 -0.55 8.37 7.94 2yqjB1 LEU 331 HA -0.26 0.09 0.75 -0.75 4.35 4.17 2yqjB1 LEU 331 HB2 -0.01 0.09 0.08 -0.04 1.64 1.76 2yqjB1 LEU 331 HB3 -0.11 -0.04 -0.06 -0.04 1.64 1.38 2yqjB1 LEU 331 HG 0.13 -0.00 -0.19 -0.04 1.64 1.54 2yqjB1 LEU 331 HD13 0.10 0.00 -0.13 -0.04 0.93 0.86 2yqjB1 LEU 331 HD23 -0.34 0.04 -0.28 -0.04 0.89 0.26 2yqjB1 ARG 332 H -0.12 0.21 -0.07 -0.55 8.46 7.93 2yqjB1 ARG 332 HA -0.05 0.24 0.85 -0.75 4.34 4.63 2yqjB1 ARG 332 HB2 -0.03 -0.18 0.23 -0.04 1.90 1.87 2yqjB1 ARG 332 HB3 -0.02 0.11 -0.15 -0.04 1.80 1.69 2yqjB1 ARG 332 HG2 -0.06 0.14 -0.13 -0.04 1.67 1.58 2yqjB1 ARG 332 HG3 -0.05 -0.07 -0.12 -0.04 1.67 1.39 2yqjB1 ARG 332 HD2 -0.01 -0.09 0.02 -0.04 3.22 3.10 2yqjB1 ARG 332 HD3 -0.00 0.12 -0.02 -0.04 3.22 3.28 2yqjB1 ALA 333 H -0.09 0.18 -0.06 -0.55 8.40 7.88 2yqjB1 ALA 333 HA -0.06 0.14 0.69 -0.75 4.34 4.35 2yqjB1 ALA 333 HB3 -0.06 0.04 0.12 -0.04 1.41 1.47 2yqjB1 ALA 334 H -0.08 0.56 0.08 -0.55 8.40 8.41 2yqjB1 ALA 334 HA -0.09 0.29 0.60 -0.75 4.34 4.38 2yqjB1 ALA 334 HB3 -0.11 -0.00 -0.03 -0.04 1.41 1.23 2yqjB1 ASN 335 H -0.11 0.56 0.17 -0.55 8.53 8.61 2yqjB1 ASN 335 HA -0.06 0.19 0.54 -0.75 4.76 4.68 2yqjB1 ASN 335 HB2 -0.08 0.06 -0.08 -0.04 2.88 2.75 2yqjB1 ASN 335 HB3 -0.09 -0.08 0.11 -0.04 2.79 2.69 2yqjB1 ASN 335 HD21 0.30 -0.03 -0.05 -0.04 7.03 7.21 2yqjB1 ASN 335 HD22 0.01 -0.03 -0.03 -0.04 7.74 7.65 2yqjB1 ILE 336 H -0.13 0.50 0.21 -0.55 8.25 8.28 2yqjB1 ILE 336 HA -0.39 0.25 0.99 -0.75 4.18 4.28 2yqjB1 ILE 336 HB -0.44 -0.02 0.08 -0.04 1.89 1.48 2yqjB1 ILE 336 HG12 -0.20 0.13 -0.33 -0.04 1.49 1.05 2yqjB1 ILE 336 HG13 -0.12 -0.05 -0.19 -0.04 1.21 0.82 2yqjB1 ILE 336 HG23 -0.92 0.04 -0.25 -0.04 0.93 -0.25 2yqjB1 ILE 336 HD13 -0.10 0.01 -0.19 -0.04 0.88 0.56 2yqjB1 VAL 337 H 0.04 0.07 -0.28 -0.55 8.24 7.52 2yqjB1 VAL 337 HA -0.08 0.00 0.26 -0.75 4.13 3.55 2yqjB1 VAL 337 HB 0.08 0.05 0.09 -0.04 2.12 2.30 2yqjB1 VAL 337 HG13 0.10 -0.02 -0.01 -0.04 0.97 1.01 2yqjB1 VAL 337 HG23 0.11 -0.00 -0.15 -0.04 0.95 0.86 2yqjB1 ASN 338 H -0.25 0.11 -0.13 -0.55 8.53 7.71 2yqjB1 ASN 338 HA 0.11 0.32 0.93 -0.75 4.76 5.37 2yqjB1 ASN 338 HB2 -0.08 -0.10 -0.02 -0.04 2.88 2.64 2yqjB1 ASN 338 HB3 -0.11 -0.02 0.04 -0.04 2.79 2.66 2yqjB1 ASN 338 HD21 0.16 -0.08 0.03 -0.04 7.03 7.10 2yqjB1 ASN 338 HD22 0.05 0.37 -0.25 -0.04 7.74 7.87 2yqjB1 HIS 339 H 0.26 0.73 0.30 -0.55 8.41 9.16 2yqjB1 HIS 339 HA 0.44 0.26 1.23 -0.75 4.63 5.80 2yqjB1 HIS 339 HB2 0.46 -0.04 -0.01 -0.04 3.26 3.63 2yqjB1 HIS 339 HB3 0.04 0.16 0.08 -0.04 3.20 3.44 2yqjB1 HIS 339 HD2 0.39 0.03 -0.15 -0.04 6.97 7.18 2yqjB1 HIS 339 HE1 0.30 -0.05 -0.07 -0.04 7.75 7.89 2yqjB1 TYR 340 H 0.23 0.71 0.37 -0.55 8.29 9.04 2yqjB1 TYR 340 HA 0.15 0.28 0.98 -0.75 4.56 5.22 2yqjB1 TYR 340 HB2 -1.00 -0.03 -0.11 -0.04 3.06 1.88 2yqjB1 TYR 340 HB3 -0.47 -0.10 0.06 -0.04 2.98 2.43 2yqjB1 TYR 340 HD2 -0.19 -0.13 -0.31 -0.04 7.15 6.48 2yqjB1 TYR 340 HE2 0.01 0.07 -0.27 -0.04 6.85 6.62 2yqjB1 TYR 341 H -0.28 0.57 0.32 -0.55 8.29 8.34 2yqjB1 TYR 341 HA -0.08 0.32 0.95 -0.75 4.56 5.00 2yqjB1 TYR 341 HB2 0.06 -0.07 -0.08 -0.04 3.06 2.92 2yqjB1 TYR 341 HB3 0.25 0.08 0.04 -0.04 2.98 3.31 2yqjB1 TYR 341 HD2 0.39 0.04 -0.18 -0.04 7.15 7.36 2yqjB1 TYR 341 HE2 0.43 -0.02 -0.14 -0.04 6.85 7.08 2yqjB1 SER 342 H 0.15 0.48 0.29 -0.55 8.46 8.83 2yqjB1 SER 342 HA -0.02 0.29 0.97 -0.75 4.49 4.98 2yqjB1 SER 342 HB2 0.11 0.08 0.21 -0.04 3.95 4.31 2yqjB1 SER 342 HB3 0.23 0.20 0.20 -0.04 3.93 4.52 2yqjB1 VAL 343 H -0.03 0.71 0.20 -0.55 8.24 8.57 2yqjB1 VAL 343 HA 0.00 0.00 0.33 -0.75 4.13 3.71 2yqjB1 VAL 343 HB -0.05 0.10 0.14 -0.04 2.12 2.27 2yqjB1 VAL 343 HG13 -0.05 -0.00 -0.17 -0.04 0.97 0.71 2yqjB1 VAL 343 HG23 -0.03 0.04 -0.30 -0.04 0.95 0.61 2yqjB1 GLU 344 H 0.01 0.19 -0.14 -0.55 8.60 8.12 2yqjB1 GLU 344 HA -0.02 0.09 0.39 -0.75 4.29 4.00 2yqjB1 GLU 344 HB2 0.00 0.06 0.11 -0.04 2.09 2.23 2yqjB1 GLU 344 HB3 0.06 -0.01 0.07 -0.04 1.99 2.07 2yqjB1 GLU 344 HG2 0.02 -0.02 -0.11 -0.04 2.34 2.19 2yqjB1 GLU 344 HG3 -0.00 0.02 0.03 -0.04 2.34 2.34 2yqjB1 PHE 345 H 0.20 0.15 -0.23 -0.55 8.34 7.91 2yqjB1 PHE 345 HA -0.04 0.05 0.42 -0.75 4.62 4.29 2yqjB1 PHE 345 HB2 0.07 -0.02 0.20 -0.04 3.15 3.35 2yqjB1 PHE 345 HB3 0.10 0.18 0.23 -0.04 3.06 3.53 2yqjB1 PHE 345 HD2 0.19 -0.00 0.02 -0.04 7.28 7.44 2yqjB1 PHE 345 HE2 0.34 0.02 -0.06 -0.04 7.38 7.63 2yqjB1 PHE 345 HZ 0.39 0.06 -0.16 -0.04 7.32 7.58 2yqjB1 LEU 346 H 0.05 0.38 -0.25 -0.55 8.37 8.01 2yqjB1 LEU 346 HA -0.39 -0.01 0.43 -0.75 4.35 3.62 2yqjB1 LEU 346 HB2 -0.03 0.15 0.13 -0.04 1.64 1.85 2yqjB1 LEU 346 HB3 -0.07 -0.07 -0.02 -0.04 1.64 1.44 2yqjB1 LEU 346 HG 0.20 0.08 -0.09 -0.04 1.64 1.78 2yqjB1 LEU 346 HD13 -0.07 -0.02 -0.15 -0.04 0.93 0.65 2yqjB1 LEU 346 HD23 0.14 -0.02 -0.06 -0.04 0.89 0.91 2yqjB1 ASN 347 H -0.11 0.53 -0.18 -0.55 8.53 8.23 2yqjB1 ASN 347 HA -0.14 -0.02 0.40 -0.75 4.76 4.25 2yqjB1 ASN 347 HB2 -0.08 0.14 0.22 -0.04 2.88 3.11 2yqjB1 ASN 347 HB3 -0.09 -0.04 -0.00 -0.04 2.79 2.61 2yqjB1 ASN 347 HD21 -0.05 -0.01 -0.12 -0.04 7.03 6.80 2yqjB1 ASN 347 HD22 -0.04 -0.06 -0.08 -0.04 7.74 7.52 2yqjB1 LYS 348 H -0.21 0.43 -0.10 -0.55 8.42 8.00 2yqjB1 LYS 348 HA -0.19 0.10 0.63 -0.75 4.32 4.11 2yqjB1 LYS 348 HB2 -0.15 -0.04 0.10 -0.04 1.87 1.74 2yqjB1 LYS 348 HB3 -0.11 -0.04 0.08 -0.04 1.79 1.69 2yqjB1 MET 349 H -0.68 0.28 -0.26 -0.55 8.47 7.26 2yqjB1 MET 349 HA -0.79 0.21 1.03 -0.75 4.52 4.22 2yqjB1 MET 349 HB2 -2.16 0.02 0.03 -0.04 2.15 -0.01 2yqjB1 MET 349 HB3 -2.49 -0.06 -0.03 -0.04 2.03 -0.59 2yqjB1 MET 349 HG2 -1.01 0.13 -0.01 -0.04 2.63 1.70 2yqjB1 MET 349 HG3 -1.60 -0.04 -0.06 -0.04 2.56 0.83 2yqjB1 MET 349 HE3 -0.08 -0.00 -0.04 -0.04 2.10 1.93 2yqjB1 ILE 350 H -0.67 0.57 0.09 -0.55 8.25 7.69 2yqjB1 ILE 350 HA -0.29 -0.03 0.39 -0.75 4.18 3.49 2yqjB1 ILE 350 HB -0.18 0.22 0.16 -0.04 1.89 2.05 2yqjB1 ILE 350 HG12 0.32 -0.10 0.04 -0.04 1.49 1.71 2yqjB1 ILE 350 HG13 -0.17 0.05 0.12 -0.04 1.21 1.17 2yqjB1 ILE 350 HG23 0.03 -0.03 -0.17 -0.04 0.93 0.72 2yqjB1 ILE 350 HD13 0.12 0.00 -0.01 -0.04 0.88 0.95 2yqjB1 PRO 351 HA -0.07 0.00 0.34 -0.51 4.44 4.20 2yqjB1 PRO 351 HB2 -0.15 0.07 -0.03 -0.04 2.28 2.13 2yqjB1 PRO 351 HB3 -0.09 -0.00 0.04 -0.04 2.02 1.93 2yqjB1 PRO 351 HG2 -0.15 0.15 0.04 -0.04 2.03 2.03 2yqjB1 PRO 351 HG3 -0.11 -0.04 0.04 -0.04 2.03 1.88 2yqjB1 PRO 351 HD2 -0.34 0.13 -0.55 -0.04 3.68 2.87 2yqjB1 PRO 351 HD3 -0.25 0.15 0.02 -0.04 3.65 3.53 2yqjB1 LYS 352 H -0.33 0.27 -0.39 -0.55 8.42 7.42 2yqjB1 LYS 352 HA -0.04 0.08 0.55 -0.75 4.32 4.16 2yqjB1 LYS 352 HB2 -0.06 -0.04 0.04 -0.04 1.87 1.77 2yqjB1 LYS 352 HB3 -0.12 -0.03 0.05 -0.04 1.79 1.64 2yqjB1 LYS 352 HG2 -0.52 0.05 0.16 -0.04 1.46 1.10 2yqjB1 LYS 352 HG3 -0.70 0.02 -0.04 -0.04 1.46 0.70 2yqjB1 TRP 353 H -0.26 0.40 -0.14 -0.55 7.97 7.43 2yqjB1 TRP 353 HA -0.32 0.05 0.44 -0.75 4.62 4.03 2yqjB1 TRP 353 HB2 -0.27 -0.01 0.10 -0.04 3.23 3.01 2yqjB1 TRP 353 HB3 -0.25 -0.07 -0.07 -0.04 3.23 2.79 2yqjB1 TRP 353 HD1 -1.23 -0.01 -0.13 -0.04 7.22 5.81 2yqjB1 TRP 353 HE1 -0.31 0.05 -0.05 -0.04 10.20 9.85 2yqjB1 TRP 353 HE3 -0.77 -0.06 -0.08 -0.04 7.59 6.64 2yqjB1 TRP 353 HZ2 -0.01 0.06 -0.13 -0.04 7.44 7.32 2yqjB1 TRP 353 HZ3 -0.18 -0.06 -0.08 -0.04 7.13 6.77 2yqjB1 TRP 353 HH2 0.15 -0.01 -0.13 -0.04 7.19 7.16 2yqjB1 ILE 354 H 0.11 0.54 -0.08 -0.55 8.25 8.27 2yqjB1 ILE 354 HA 0.16 0.11 0.58 -0.75 4.18 4.28 2yqjB1 ILE 354 HB 0.11 -0.05 0.04 -0.04 1.89 1.95 2yqjB1 ILE 354 HG12 0.05 0.28 0.07 -0.04 1.49 1.84 2yqjB1 ILE 354 HG13 0.05 0.05 -0.13 -0.04 1.21 1.14 2yqjB1 ILE 354 HG23 0.19 -0.01 -0.14 -0.04 0.93 0.92 2yqjB1 ILE 354 HD13 0.05 -0.03 -0.06 -0.04 0.88 0.79 2yqjB1 SER 355 H 0.08 0.31 -0.30 -0.55 8.46 8.00 2yqjB1 SER 355 HA 0.06 0.12 0.73 -0.75 4.49 4.65 2yqjB1 SER 355 HB2 0.03 -0.07 0.19 -0.04 3.95 4.06 2yqjB1 SER 355 HB3 0.03 -0.04 0.08 -0.04 3.93 3.96 2yqjB1 SER 356 H 0.11 0.38 -0.62 -0.55 8.46 7.78 2yqjB1 SER 356 HA 0.03 -0.01 0.39 -0.75 4.49 4.14 2yqjB1 SER 356 HB2 0.11 0.24 0.15 -0.04 3.95 4.41 2yqjB1 SER 356 HB3 0.31 0.20 -0.16 -0.04 3.93 4.24 2yqjB1 GLN 357 H -0.06 0.18 0.11 -0.55 8.47 8.15 2yqjB1 GLN 357 HA -0.11 0.18 0.34 -0.75 4.36 4.02 2yqjB1 GLN 357 HB2 -0.19 0.01 0.07 -0.04 2.15 2.00 2yqjB1 GLN 357 HB3 -0.15 0.02 0.00 -0.04 2.02 1.85 2yqjB1 GLN 357 HG2 -0.32 0.03 0.04 -0.04 2.40 2.11 2yqjB1 GLN 357 HG3 -0.26 -0.01 0.06 -0.04 2.39 2.13 2yqjB1 GLN 357 HE21 -2.42 0.08 0.02 -0.04 6.97 4.61 2yqjB1 GLN 357 HE22 -0.73 -0.20 0.13 -0.04 7.69 6.86 2yqjB1 LYS 358 H -0.10 0.02 -0.26 -0.55 8.42 7.53 2yqjB1 LYS 358 HA -0.16 0.08 0.35 -0.75 4.32 3.83 2yqjB1 TYR 359 H 0.04 0.14 -0.28 -0.55 8.29 7.63 2yqjB1 TYR 359 HA -0.01 0.20 0.62 -0.75 4.56 4.62 2yqjB1 TYR 359 HB2 0.06 0.15 0.02 -0.04 3.06 3.25 2yqjB1 TYR 359 HB3 -0.14 -0.06 -0.02 -0.04 2.98 2.72 2yqjB1 TYR 359 HD2 0.14 0.08 -0.03 -0.04 7.15 7.31 2yqjB1 TYR 359 HE2 0.13 0.03 -0.06 -0.04 6.85 6.91 2yqjB1 LEU 360 H 0.08 0.16 -0.24 -0.55 8.37 7.83 2yqjB1 LEU 360 HA 0.04 0.13 0.87 -0.75 4.35 4.63 2yqjB1 LEU 360 HB2 0.12 0.15 0.11 -0.04 1.64 1.98 2yqjB1 LEU 360 HB3 0.12 -0.12 0.11 -0.04 1.64 1.72 2yqjB1 LEU 360 HG -0.01 0.01 -0.42 -0.04 1.64 1.18 2yqjB1 LEU 360 HD13 0.21 0.03 -0.13 -0.04 0.93 0.99 2yqjB1 LEU 360 HD23 0.10 -0.04 -0.04 -0.04 0.89 0.87 2yqjB1 PRO 361 HA -0.22 -0.01 0.45 -0.51 4.44 4.16 2yqjB1 PRO 361 HB2 -0.28 0.05 -0.02 -0.04 2.28 1.99 2yqjB1 PRO 361 HB3 -0.15 0.12 0.10 -0.04 2.02 2.04 2yqjB1 PRO 361 HG2 -0.14 -0.12 -0.01 -0.04 2.03 1.72 2yqjB1 PRO 361 HG3 -0.06 0.05 0.01 -0.04 2.03 1.98 2yqjB1 PRO 361 HD2 0.02 0.12 -0.21 -0.04 3.68 3.57 2yqjB1 PRO 361 HD3 -0.04 0.30 -0.42 -0.04 3.65 3.45 2yqjB1 PHE 362 H -0.23 0.10 0.15 -0.55 8.34 7.81 2yqjB1 PHE 362 HA -0.15 0.09 0.44 -0.75 4.62 4.24 2yqjB1 PHE 362 HB2 -0.16 0.01 0.05 -0.04 3.15 3.01 2yqjB1 PHE 362 HB3 -0.13 -0.01 -0.09 -0.04 3.06 2.79 2yqjB1 PHE 362 HD2 -0.10 0.05 -0.19 -0.04 7.28 7.00 2yqjB1 PHE 362 HE2 -0.01 0.04 -0.03 -0.04 7.38 7.34 2yqjB1 PHE 362 HZ 0.01 0.00 -0.02 -0.04 7.32 7.27 2yqjB1 HIS 363 H -0.06 0.38 0.33 -0.55 8.41 8.52 2yqjB1 HIS 363 HA -0.15 0.14 0.88 -0.75 4.63 4.74 2yqjB1 HIS 363 HB2 -0.70 0.06 0.16 -0.04 3.26 2.73 2yqjB1 HIS 363 HB3 -0.37 -0.02 -0.01 -0.04 3.20 2.76 2yqjB1 HIS 363 HD2 -0.74 0.06 0.08 -0.04 6.97 6.32 2yqjB1 HIS 363 HE1 0.02 -0.01 -0.02 -0.04 7.75 7.70 2yqjB1 ILE 364 H -0.01 0.17 0.13 -0.55 8.25 8.00 2yqjB1 ILE 364 HA -0.01 0.21 0.77 -0.75 4.18 4.40 2yqjB1 ILE 364 HB -0.00 -0.01 0.12 -0.04 1.89 1.96 2yqjB1 ILE 364 HG12 -0.03 0.12 -0.06 -0.04 1.49 1.48 2yqjB1 ILE 364 HG13 -0.04 0.04 -0.12 -0.04 1.21 1.05 2yqjB1 ILE 364 HG23 0.01 -0.01 -0.27 -0.04 0.93 0.61 2yqjB1 ILE 364 HD13 -0.04 -0.03 -0.26 -0.04 0.88 0.50 2yqjB1 ALA 365 H 0.02 0.50 0.23 -0.55 8.40 8.60 2yqjB1 ALA 365 HA 0.04 0.13 0.95 -0.75 4.34 4.71 2yqjB1 ALA 365 HB3 0.05 -0.01 -0.01 -0.04 1.41 1.40 2yqjB1 LYS 366 H 0.03 0.13 0.11 -0.55 8.42 8.14 2yqjB1 LYS 366 HA 0.02 0.20 0.61 -0.75 4.32 4.40 2yqjB1 LYS 366 HB2 0.02 -0.04 0.14 -0.04 1.87 1.95 2yqjB1 LYS 366 HB3 0.02 -0.01 0.06 -0.04 1.79 1.81 2yqjB1 LYS 366 HG2 0.02 0.05 0.02 -0.04 1.46 1.50 2yqjB1 LYS 366 HG3 0.02 -0.02 0.02 -0.04 1.46 1.44 2yqjB1 LYS 366 HD2 0.02 -0.02 0.03 -0.04 1.69 1.69 2yqjB1 LYS 366 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 2yqjB1 LYS 366 HE2 0.02 -0.01 0.00 -0.04 2.99 2.95 2yqjB1 LYS 366 HE3 0.02 0.02 -0.01 -0.04 2.99 2.97 2yqjB1 LYS 367 H 0.01 0.64 0.44 -0.55 8.42 8.96 2yqjB1 LYS 367 HA 0.00 0.12 0.68 -0.75 4.32 4.37 2yqjB1 LYS 367 HB2 0.02 0.05 -0.26 -0.04 1.87 1.64 2yqjB1 LYS 367 HB3 -0.00 -0.00 -0.36 -0.04 1.79 1.38 2yqjB1 LYS 367 HG2 0.01 -0.02 -0.10 -0.04 1.46 1.30 2yqjB1 LYS 367 HG3 0.00 -0.05 0.04 -0.04 1.46 1.42 2yqjB1 LYS 367 HD2 0.02 0.35 -0.05 -0.04 1.69 1.97 2yqjB1 LYS 367 HD3 0.02 0.01 -0.24 -0.04 1.68 1.44 2yqjB1 LYS 367 HE2 0.02 -0.05 -0.04 -0.04 2.99 2.88 2yqjB1 LYS 367 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 2yqjB1 LYS 368 H -0.02 0.24 0.06 -0.55 8.42 8.14 2yqjB1 LYS 368 HA -0.07 0.05 0.70 -0.75 4.32 4.25 2yqjB1 LYS 368 HB2 -0.05 -0.01 0.11 -0.04 1.87 1.87 2yqjB1 LYS 368 HB3 -0.09 0.24 -0.07 -0.04 1.79 1.82 2yqjB1 LYS 368 HG2 -0.04 -0.07 -0.62 -0.04 1.46 0.68 2yqjB1 LYS 368 HG3 -0.03 -0.09 -0.20 -0.04 1.46 1.11 2yqjB1 ILE 369 H -0.10 0.14 -0.03 -0.55 8.25 7.72 2yqjB1 ILE 369 HA -0.06 0.28 1.03 -0.75 4.18 4.67 2yqjB1 ILE 369 HB -0.03 0.00 -0.08 -0.04 1.89 1.74 2yqjB1 ILE 369 HG12 -0.01 0.05 -0.35 -0.04 1.49 1.15 2yqjB1 ILE 369 HG13 -0.01 -0.11 -0.58 -0.04 1.21 0.47 2yqjB1 ILE 369 HG23 -0.01 0.02 -0.29 -0.04 0.93 0.62 2yqjB1 ILE 369 HD13 0.02 0.00 -0.29 -0.04 0.88 0.58 2yqjB1 PRO 370 HA -0.40 0.32 0.75 -0.51 4.44 4.60 2yqjB1 PRO 370 HB2 0.06 -0.04 0.16 -0.04 2.28 2.42 2yqjB1 PRO 370 HB3 -0.13 0.02 0.10 -0.04 2.02 1.96 2yqjB1 PRO 370 HG2 -0.02 0.00 0.10 -0.04 2.03 2.07 2yqjB1 PRO 370 HG3 -0.11 0.02 0.06 -0.04 2.03 1.96 2yqjB1 PRO 370 HD2 -0.02 0.05 0.22 -0.04 3.68 3.89 2yqjB1 PRO 370 HD3 -0.07 0.31 0.25 -0.04 3.65 4.10 2yqjB1 SER 371 H -0.32 0.44 0.41 -0.55 8.46 8.44 2yqjB1 SER 371 HA 0.27 0.06 0.57 -0.75 4.49 4.64 2yqjB1 SER 371 HB2 0.09 0.38 0.30 -0.04 3.95 4.69 2yqjB1 SER 371 HB3 0.06 -0.00 -0.12 -0.04 3.93 3.83 2yqjB1 LEU 372 H 0.12 0.55 0.16 -0.55 8.37 8.66 2yqjB1 LEU 372 HA 0.09 0.01 0.32 -0.75 4.35 4.02 2yqjB1 LEU 372 HB2 0.05 -0.03 -0.15 -0.04 1.64 1.46 2yqjB1 LEU 372 HB3 -0.00 0.18 -0.34 -0.04 1.64 1.43 2yqjB1 LEU 372 HG 0.02 0.02 -0.68 -0.04 1.64 0.96 2yqjB1 LEU 372 HD13 -0.22 -0.03 -0.33 -0.04 0.93 0.32 2yqjB1 LEU 372 HD23 0.01 -0.01 -0.10 -0.04 0.89 0.75 2yqjB1 ASN 373 H -0.19 0.54 -0.01 -0.55 8.53 8.33 2yqjB1 ASN 373 HA -0.51 -0.02 0.53 -0.75 4.76 4.00 2yqjB1 LEU 374 H -0.06 0.12 0.11 -0.55 8.37 7.98 2yqjB1 LEU 374 HA 0.03 0.09 0.12 -0.75 4.35 3.83 2yqjB1 LEU 374 HB2 -0.00 -0.01 0.09 -0.04 1.64 1.68 2yqjB1 LEU 374 HB3 0.02 -0.01 0.08 -0.04 1.64 1.69 2yqjB1 LEU 374 HG 0.03 0.02 0.14 -0.04 1.64 1.79 2yqjB1 LEU 374 HD13 0.04 -0.01 0.06 -0.04 0.93 0.97 2yqjB1 LEU 374 HD23 0.05 0.02 0.00 -0.04 0.89 0.91 2yqjB1 GLU 378 HA -0.03 -0.09 0.28 -0.75 4.29 3.70 2yqjB1 PHE 379 H 0.13 0.00 0.12 -0.55 8.34 8.04 2yqjB1 PHE 379 HA 0.06 0.24 0.35 -0.75 4.62 4.51 2yqjB1 PHE 379 HB2 -0.04 -0.06 0.11 -0.04 3.15 3.13 2yqjB1 PHE 379 HB3 -0.01 -0.07 0.04 -0.04 3.06 2.99 2yqjB1 PHE 379 HD2 0.01 0.06 -0.13 -0.04 7.28 7.18 2yqjB1 PHE 379 HE2 -0.00 0.01 -0.15 -0.04 7.38 7.20 2yqjB1 PHE 379 HZ -0.01 -0.02 -0.08 -0.04 7.32 7.16 2yqjB1 TYR 380 H -1.03 0.43 0.36 -0.55 8.29 7.50 2yqjB1 TYR 380 HA -0.32 -0.01 0.34 -0.75 4.56 3.82 2yqjB1 TYR 380 HB2 -0.14 -0.13 0.13 -0.04 3.06 2.88 2yqjB1 TYR 380 HB3 -0.13 0.32 0.03 -0.04 2.98 3.16 2yqjB1 TYR 380 HD2 -0.19 0.15 -0.03 -0.04 7.15 7.04 2yqjB1 TYR 380 HE2 -0.07 0.03 -0.25 -0.04 6.85 6.52 2yqjB1 LYS 381 H -0.18 0.20 0.07 -0.55 8.42 7.97 2yqjB1 LYS 381 HA -0.42 0.17 0.78 -0.75 4.32 4.09 2yqjB1 PRO 382 HA -0.25 -0.00 0.44 -0.51 4.44 4.11 2yqjB1 PRO 382 HB2 -0.15 0.21 0.02 -0.04 2.28 2.32 2yqjB1 PRO 382 HB3 -0.35 0.07 0.07 -0.04 2.02 1.76 2yqjB1 PRO 382 HG2 -0.20 -0.06 -0.13 -0.04 2.03 1.61 2yqjB1 PRO 382 HG3 -0.25 -0.09 -0.02 -0.04 2.03 1.64 2yqjB1 PRO 382 HD2 -0.39 0.07 -0.22 -0.04 3.68 3.10 2yqjB1 PRO 382 HD3 -0.91 0.27 -0.13 -0.04 3.65 2.84 2yqjB1 THR 383 H -0.06 0.12 0.16 -0.55 8.28 7.96 2yqjB1 THR 383 HA -0.05 0.20 0.72 -0.75 4.39 4.51 2yqjB1 THR 383 HB -0.02 -0.01 0.17 -0.04 4.32 4.42 2yqjB1 THR 383 HG23 -0.02 0.02 0.01 -0.04 1.22 1.18 2yqjB1 GLU 384 H -0.05 0.20 -0.17 -0.55 8.60 8.04 2yqjB1 GLU 384 HA -0.01 0.14 0.50 -0.75 4.29 4.16 2yqjB1 GLU 384 HB2 -0.00 -0.07 -0.06 -0.04 2.09 1.91 2yqjB1 GLU 384 HB3 0.00 0.07 0.03 -0.04 1.99 2.05 2yqjB1 PRO 385 HA -0.01 0.09 0.18 -0.51 4.44 4.19 2yqjB1 PRO 385 HB2 0.01 0.01 0.08 -0.04 2.28 2.34 2yqjB1 PRO 385 HB3 0.01 0.00 0.03 -0.04 2.02 2.02 2yqjB1 PRO 385 HG2 0.01 0.05 0.03 -0.04 2.03 2.07 2yqjB1 PRO 385 HG3 0.00 0.03 -0.06 -0.04 2.03 1.96 2yqjB1 PRO 385 HD2 0.00 0.11 0.14 -0.04 3.68 3.89 2yqjB1 PRO 385 HD3 -0.01 0.14 0.13 -0.04 3.65 3.87 2yqjB1 ASN 386 H -0.02 0.48 0.53 -0.55 8.53 8.98 2yqjB1 ASN 386 HA 0.02 0.14 0.93 -0.75 4.76 5.11 2yqjB1 ASN 386 HB2 0.04 -0.04 0.23 -0.04 2.88 3.07 2yqjB1 ASN 386 HB3 -0.03 0.10 0.01 -0.04 2.79 2.84 2yqjB1 ASN 386 HD21 -0.20 0.45 0.07 -0.04 7.03 7.32 2yqjB1 ASN 386 HD22 -0.04 -0.04 0.03 -0.04 7.74 7.65 2yqjB1 GLY 387 H 0.01 0.31 0.33 -0.55 8.43 8.55 2yqjB1 GLY 387 HA2 0.06 -0.07 0.39 -0.51 4.01 3.88 2yqjB1 GLY 387 HA3 0.04 0.11 0.40 -0.51 4.01 4.05 2yqjB1 ILE 388 H 0.10 0.72 0.19 -0.55 8.25 8.71 2yqjB1 ILE 388 HA 0.04 0.26 0.99 -0.75 4.18 4.72 2yqjB1 ILE 388 HB 0.02 -0.04 -0.12 -0.04 1.89 1.72 2yqjB1 ILE 388 HG12 0.13 0.07 -0.11 -0.04 1.49 1.53 2yqjB1 ILE 388 HG13 0.10 -0.07 -0.18 -0.04 1.21 1.02 2yqjB1 ILE 388 HG23 0.03 -0.01 -0.31 -0.04 0.93 0.60 2yqjB1 ILE 388 HD13 -0.05 0.02 -0.15 -0.04 0.88 0.66 2yqjB1 LYS 389 H 0.03 0.60 0.27 -0.55 8.42 8.77 2yqjB1 LYS 389 HA 0.05 0.14 0.83 -0.75 4.32 4.59 2yqjB1 LYS 389 HB2 0.02 -0.02 0.04 -0.04 1.87 1.88 2yqjB1 LYS 389 HB3 0.02 0.04 0.01 -0.04 1.79 1.81 2yqjB1 LYS 389 HG2 0.03 0.04 -0.19 -0.04 1.46 1.29 2yqjB1 LYS 389 HG3 0.02 -0.00 -0.17 -0.04 1.46 1.27 2yqjB1 LYS 389 HD2 0.02 -0.05 -0.06 -0.04 1.69 1.55 2yqjB1 LYS 389 HD3 0.01 0.01 -0.06 -0.04 1.68 1.60 2yqjB1 LYS 389 HE2 0.01 0.03 -0.12 -0.04 2.99 2.87 2yqjB1 LYS 389 HE3 0.01 -0.01 -0.14 -0.04 2.99 2.81 2yqjB1 LEU 390 H -0.01 0.22 0.10 -0.55 8.37 8.13 2yqjB1 LEU 390 HA -0.08 0.32 0.91 -0.75 4.35 4.74 2yqjB1 LEU 390 HB2 -0.25 -0.00 0.02 -0.04 1.64 1.37 2yqjB1 LEU 390 HB3 -0.50 -0.04 -0.05 -0.04 1.64 1.02 2yqjB1 LEU 390 HG -0.02 -0.02 -0.22 -0.04 1.64 1.35 2yqjB1 LEU 390 HD13 -0.27 0.02 -0.08 -0.04 0.93 0.56 2yqjB1 LEU 390 HD23 -0.12 0.02 -0.19 -0.04 0.89 0.55 2yqjB1 GLU 391 H -0.09 0.47 0.30 -0.55 8.60 8.73 2yqjB1 GLU 391 HA -0.05 0.16 0.58 -0.75 4.29 4.23 2yqjB1 GLU 391 HB2 0.04 0.01 -0.05 -0.04 2.09 2.05 2yqjB1 GLU 391 HB3 0.13 -0.14 -0.06 -0.04 1.99 1.88 2yqjB1 GLU 391 HG2 0.03 0.17 -0.19 -0.04 2.34 2.31 2yqjB1 GLU 391 HG3 0.03 0.06 -0.55 -0.04 2.34 1.85 2yqjB1 GLN 392 H 0.01 0.49 0.21 -0.55 8.47 8.63 2yqjB1 GLN 392 HA 0.05 0.40 0.74 -0.75 4.36 4.80 2yqjB1 GLN 392 HB2 0.08 -0.23 -0.03 -0.04 2.15 1.93 2yqjB1 GLN 392 HB3 0.11 0.11 -0.05 -0.04 2.02 2.14 2yqjB1 GLN 392 HG2 0.30 0.19 -0.17 -0.04 2.40 2.67 2yqjB1 GLN 392 HG3 0.03 -0.04 -0.08 -0.04 2.39 2.26 2yqjB1 GLN 392 HE21 0.19 -0.05 -0.04 -0.04 6.97 7.03 2yqjB1 GLN 392 HE22 0.23 0.27 -0.01 -0.04 7.69 8.13 2yqjB1 PHE 393 H 0.00 0.40 0.12 -0.55 8.34 8.31 2yqjB1 PHE 393 HA -0.33 -0.00 0.88 -0.75 4.62 4.42 2yqjB1 PHE 393 HB2 -0.56 0.14 0.12 -0.04 3.15 2.80 2yqjB1 PHE 393 HB3 -1.55 -0.13 -0.00 -0.04 3.06 1.34 2yqjB1 PHE 393 HD2 -0.39 0.02 -0.23 -0.04 7.28 6.64 2yqjB1 PHE 393 HE2 -0.29 -0.01 -0.10 -0.04 7.38 6.94 2yqjB1 PHE 393 HZ -0.21 0.05 -0.09 -0.04 7.32 7.02 2yqjB1 ILE 394 H -0.20 0.07 -0.01 -0.55 8.25 7.56 2yqjB1 ILE 394 HA 0.03 0.16 0.27 -0.75 4.18 3.88 2yqjB1 ILE 394 HB -0.02 0.00 -0.13 -0.04 1.89 1.70 2yqjB1 ILE 394 HG12 0.34 -0.02 -0.14 -0.04 1.49 1.63 2yqjB1 ILE 394 HG13 0.23 0.06 -0.08 -0.04 1.21 1.38 2yqjB1 ILE 394 HG23 0.04 -0.01 -0.05 -0.04 0.93 0.87 2yqjB1 ILE 394 HD13 -0.15 0.01 -0.02 -0.04 0.88 0.68 2yqjB1 PHE 395 H -0.92 -0.01 -0.26 -0.55 8.34 6.60 2yqjB1 PHE 395 HA -1.17 0.21 0.59 -0.75 4.62 3.50 2yqjB1 PHE 395 HB2 -1.18 0.04 0.05 -0.04 3.15 2.02 2yqjB1 PHE 395 HB3 -0.84 -0.02 -0.02 -0.04 3.06 2.15 2yqjB1 PHE 395 HD2 -0.16 0.06 -0.24 -0.04 7.28 6.90 2yqjB1 PHE 395 HE2 -0.12 0.05 -0.06 -0.04 7.38 7.22 2yqjB1 PHE 395 HZ -0.43 -0.04 -0.08 -0.04 7.32 6.73 2yqjB1 ASP 396 H -0.23 0.35 -0.23 -0.55 8.40 7.74 2yqjB1 ASP 396 HA 0.13 0.00 0.45 -0.75 4.63 4.46 2yqjB1 ASP 396 HB2 -0.00 0.09 0.21 -0.04 2.71 2.97 2yqjB1 ASP 396 HB3 0.06 0.22 0.16 -0.04 2.70 3.09 2yqjB1 VAL 397 H -0.23 0.06 -0.50 -0.55 8.24 7.02 2yqjB1 VAL 397 HA -0.21 0.20 0.61 -0.75 4.13 3.99 2yqjB1 VAL 397 HB -2.29 -0.02 0.03 -0.04 2.12 -0.20 2yqjB1 VAL 397 HG13 -1.02 -0.01 -0.09 -0.04 0.97 -0.19 2yqjB1 VAL 397 HG23 -0.61 0.02 -0.12 -0.04 0.95 0.20 2yqjB1 PHE 398 H 0.09 0.48 -0.27 -0.55 8.34 8.09 2yqjB1 PHE 398 HA 0.10 -0.02 0.32 -0.75 4.62 4.26 2yqjB1 PHE 398 HB2 0.01 0.08 0.10 -0.04 3.15 3.30 2yqjB1 PHE 398 HB3 -0.10 0.00 -0.17 -0.04 3.06 2.75 2yqjB1 PHE 398 HD2 0.02 -0.03 -0.15 -0.04 7.28 7.08 2yqjB1 PHE 398 HE2 -0.00 -0.02 -0.11 -0.04 7.38 7.21 2yqjB1 PHE 398 HZ -0.82 -0.08 -0.10 -0.04 7.32 6.28 2yqjB1 PRO 399 HA 0.06 0.11 0.46 -0.51 4.44 4.56 2yqjB1 PRO 399 HB2 0.10 -0.01 0.00 -0.04 2.28 2.34 2yqjB1 PRO 399 HB3 0.07 -0.03 0.03 -0.04 2.02 2.05 2yqjB1 PRO 399 HG2 0.14 0.14 -0.02 -0.04 2.03 2.25 2yqjB1 PRO 399 HG3 0.10 -0.06 0.06 -0.04 2.03 2.09 2yqjB1 PRO 399 HD2 0.14 0.06 -0.21 -0.04 3.68 3.63 2yqjB1 PRO 399 HD3 0.13 0.02 0.17 -0.04 3.65 3.93 2yqjB1 SER 400 H 0.28 0.38 -0.70 -0.55 8.46 7.88 2yqjB1 SER 400 HA 0.28 0.09 0.61 -0.75 4.49 4.72 2yqjB1 SER 400 HB2 0.41 -0.08 0.08 -0.04 3.95 4.33 2yqjB1 SER 400 HB3 0.54 -0.03 0.01 -0.04 3.93 4.41 2yqjB1 VAL 401 H 0.23 0.55 -0.12 -0.55 8.24 8.35 2yqjB1 VAL 401 HA 0.29 0.04 0.58 -0.75 4.13 4.29 2yqjB1 VAL 401 HB 0.21 0.02 0.08 -0.04 2.12 2.39 2yqjB1 VAL 401 HG13 0.02 0.02 -0.32 -0.04 0.97 0.66 2yqjB1 VAL 401 HG23 -0.24 -0.02 -0.04 -0.04 0.95 0.61 2yqjB1 GLU 402 H 0.06 0.09 0.13 -0.55 8.60 8.33 2yqjB1 GLU 402 HA 0.06 0.16 0.61 -0.75 4.29 4.36 2yqjB1 GLU 402 HB2 0.04 -0.02 0.16 -0.04 2.09 2.22 2yqjB1 GLU 402 HB3 0.04 -0.06 0.03 -0.04 1.99 1.97 2yqjB1 GLU 402 HG2 0.06 0.03 0.04 -0.04 2.34 2.43 2yqjB1 GLU 402 HG3 0.09 0.06 0.02 -0.04 2.34 2.47 2yqjB1 LEU 403 H 0.03 0.26 0.21 -0.55 8.37 8.32 2yqjB1 LEU 403 HA -0.01 0.08 0.33 -0.75 4.35 3.99 2yqjB1 LEU 403 HB2 0.00 0.24 0.25 -0.04 1.64 2.10 2yqjB1 LEU 403 HB3 0.02 -0.08 0.16 -0.04 1.64 1.70 2yqjB1 LEU 403 HG 0.03 -0.01 -0.21 -0.04 1.64 1.41 2yqjB1 LEU 403 HD13 -0.04 -0.01 -0.00 -0.04 0.93 0.83 2yqjB1 LEU 403 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 2yqjB1 ASN 404 H 0.04 0.06 -0.22 -0.55 8.53 7.87 2yqjB1 ASN 404 HA 0.08 0.15 0.48 -0.75 4.76 4.71 2yqjB1 ASN 404 HB2 0.06 0.04 0.14 -0.04 2.88 3.08 2yqjB1 ASN 404 HB3 0.05 -0.06 0.08 -0.04 2.79 2.81 2yqjB1 ASN 404 HD21 0.03 -0.01 -0.05 -0.04 7.03 6.95 2yqjB1 ASN 404 HD22 0.03 0.01 0.00 -0.04 7.74 7.75 2yqjB1 LYS 405 H 0.04 0.77 -0.42 -0.55 8.42 8.26 2yqjB1 LYS 405 HA 0.16 0.27 0.88 -0.75 4.32 4.88 2yqjB1 LYS 405 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 2yqjB1 LYS 405 HB3 -0.09 -0.15 0.21 -0.04 1.79 1.72 2yqjB1 LYS 405 HG2 -0.00 -0.06 0.07 -0.04 1.46 1.43 2yqjB1 LYS 405 HG3 -0.01 0.02 0.18 -0.04 1.46 1.60 2yqjB1 LYS 405 HD2 0.06 0.27 -0.04 -0.04 1.69 1.94 2yqjB1 LYS 405 HD3 0.03 -0.13 -0.17 -0.04 1.68 1.37 2yqjB1 LYS 405 HE2 -0.00 0.19 0.08 -0.04 2.99 3.22 2yqjB1 LYS 405 HE3 0.00 -0.00 0.00 -0.04 2.99 2.95 2yqjB1 PHE 406 H 0.00 0.39 -0.11 -0.55 8.34 8.07 2yqjB1 PHE 406 HA -0.46 0.35 1.10 -0.75 4.62 4.86 2yqjB1 PHE 406 HB2 -0.21 -0.04 -0.09 -0.04 3.15 2.76 2yqjB1 PHE 406 HB3 -0.20 0.14 0.13 -0.04 3.06 3.09 2yqjB1 PHE 406 HD2 -0.28 -0.00 -0.22 -0.04 7.28 6.73 2yqjB1 PHE 406 HE2 -0.46 -0.08 -0.23 -0.04 7.38 6.56 2yqjB1 PHE 406 HZ -0.10 -0.11 -0.18 -0.04 7.32 6.89 2yqjB1 GLY 407 H -1.38 0.50 0.49 -0.55 8.43 7.49 2yqjB1 GLY 407 HA2 -0.84 0.40 1.06 -0.51 4.01 4.12 2yqjB1 GLY 407 HA3 -1.50 -0.06 0.28 -0.51 4.01 2.21 2yqjB1 CYS 408 H 0.03 0.87 0.28 -0.55 8.50 9.13 2yqjB1 CYS 408 HA -0.08 0.18 1.04 -0.75 4.58 4.96 2yqjB1 CYS 408 HB2 0.19 0.01 -0.17 -0.04 2.97 2.96 2yqjB1 CYS 408 HB3 0.08 0.00 0.02 -0.04 2.97 3.04 2yqjB1 LEU 409 H 0.00 0.44 0.20 -0.55 8.37 8.46 2yqjB1 LEU 409 HA -0.26 0.18 0.84 -0.75 4.35 4.36 2yqjB1 LEU 409 HB2 -0.89 0.02 -0.04 -0.04 1.64 0.69 2yqjB1 LEU 409 HB3 -0.23 -0.03 0.07 -0.04 1.64 1.40 2yqjB1 LEU 409 HG -0.21 0.00 -0.34 -0.04 1.64 1.05 2yqjB1 LEU 409 HD13 -0.43 0.02 -0.21 -0.04 0.93 0.27 2yqjB1 LEU 409 HD23 -0.19 -0.01 -0.17 -0.04 0.89 0.49 2yqjB1 GLU 410 H -0.09 0.87 0.53 -0.55 8.60 9.37 2yqjB1 GLU 410 HA -0.08 0.19 0.82 -0.75 4.29 4.46 2yqjB1 GLU 410 HB2 -0.04 0.02 0.02 -0.04 2.09 2.05 2yqjB1 GLU 410 HB3 -0.04 0.04 0.23 -0.04 1.99 2.18 2yqjB1 GLU 410 HG2 -0.04 -0.20 -0.28 -0.04 2.34 1.78 2yqjB1 GLU 410 HG3 -0.05 0.10 -0.01 -0.04 2.34 2.34 2yqjB1 VAL 411 H -0.09 0.79 0.45 -0.55 8.24 8.84 2yqjB1 VAL 411 HA -0.05 0.03 0.90 -0.75 4.13 4.26 2yqjB1 VAL 411 HB -0.05 -0.03 0.03 -0.04 2.12 2.02 2yqjB1 VAL 411 HG13 -0.13 0.01 -0.23 -0.04 0.97 0.58 2yqjB1 VAL 411 HG23 -0.09 0.04 -0.19 -0.04 0.95 0.66 2yqjB1 ASP 412 H -0.02 0.18 0.09 -0.55 8.40 8.10 2yqjB1 ASP 412 HA -0.03 0.09 0.59 -0.75 4.63 4.53 2yqjB1 ASP 412 HB2 -0.01 0.07 0.08 -0.04 2.71 2.81 2yqjB1 ASP 412 HB3 -0.00 0.01 0.16 -0.04 2.70 2.83 2yqjB1 ARG 413 H -0.02 0.23 0.26 -0.55 8.46 8.37 2yqjB1 ARG 413 HA 0.04 0.04 0.30 -0.75 4.34 3.98 2yqjB1 ARG 413 HB2 0.02 0.04 0.16 -0.04 1.90 2.07 2yqjB1 ARG 413 HB3 -0.03 -0.01 0.15 -0.04 1.80 1.87 2yqjB1 ARG 413 HG2 -0.07 0.06 -0.18 -0.04 1.67 1.44 2yqjB1 ARG 413 HG3 0.23 0.01 0.09 -0.04 1.67 1.95 2yqjB1 ARG 413 HD2 -0.04 -0.01 -0.01 -0.04 3.22 3.13 2yqjB1 ARG 413 HD3 0.00 -0.00 0.01 -0.04 3.22 3.18 2yqjB1 LEU 414 H -0.06 0.06 -0.22 -0.55 8.37 7.61 2yqjB1 LEU 414 HA -0.20 0.13 0.39 -0.75 4.35 3.91 2yqjB1 LEU 414 HB2 -0.08 -0.00 -0.04 -0.04 1.64 1.48 2yqjB1 LEU 414 HB3 -0.13 0.07 0.06 -0.04 1.64 1.60 2yqjB1 LEU 414 HG -0.08 -0.10 0.04 -0.04 1.64 1.47 2yqjB1 LEU 414 HD13 -0.06 0.02 -0.01 -0.04 0.93 0.84 2yqjB1 LEU 414 HD23 -0.17 0.01 -0.03 -0.04 0.89 0.66 2yqjB1 ASP 415 H -0.04 0.31 -0.39 -0.55 8.40 7.74 2yqjB1 ASP 415 HA -0.09 0.25 0.92 -0.75 4.63 4.96 2yqjB1 ASP 415 HB2 0.02 -0.06 0.08 -0.04 2.71 2.72 2yqjB1 ASP 415 HB3 0.08 0.01 0.01 -0.04 2.70 2.77 2yqjB1 GLU 416 H -0.01 0.16 -0.10 -0.55 8.60 8.10 2yqjB1 GLU 416 HA 0.00 0.42 0.93 -0.75 4.29 4.90 2yqjB1 GLU 416 HB2 0.00 -0.04 -0.20 -0.04 2.09 1.82 2yqjB1 GLU 416 HB3 0.00 -0.06 0.01 -0.04 1.99 1.90 2yqjB1 GLU 416 HG2 0.02 0.23 -0.56 -0.04 2.34 1.98 2yqjB1 GLU 416 HG3 -0.00 -0.02 -0.20 -0.04 2.34 2.08 2yqjB1 PHE 417 H 0.05 0.64 0.06 -0.55 8.34 8.53 2yqjB1 PHE 417 HA -0.02 0.01 0.63 -0.75 4.62 4.49 2yqjB1 PHE 417 HB2 -0.04 0.09 -0.30 -0.04 3.15 2.86 2yqjB1 PHE 417 HB3 -0.06 -0.05 0.03 -0.04 3.06 2.93 2yqjB1 PHE 417 HD2 -0.02 0.03 -0.03 -0.04 7.28 7.21 2yqjB1 PHE 417 HE2 -0.02 -0.03 -0.07 -0.04 7.38 7.22 2yqjB1 PHE 417 HZ -0.03 0.01 -0.06 -0.04 7.32 7.21 2yqjB1 SER 418 H -0.23 0.06 -0.14 -0.55 8.46 7.60 2yqjB1 SER 418 HA -0.33 0.16 0.59 -0.75 4.49 4.16 2yqjB1 SER 418 HB2 -0.03 0.13 -0.22 -0.04 3.95 3.79 2yqjB1 SER 418 HB3 -0.01 -0.09 0.08 -0.04 3.93 3.87 2yqjB1 PRO 419 HA -0.18 0.18 0.42 -0.51 4.44 4.35 2yqjB1 PRO 419 HB2 -0.13 0.05 -0.17 -0.04 2.28 1.99 2yqjB1 PRO 419 HB3 -0.22 0.01 -0.05 -0.04 2.02 1.72 2yqjB1 PRO 419 HG2 -0.27 -0.02 0.05 -0.04 2.03 1.75 2yqjB1 PRO 419 HG3 -0.37 0.08 -0.02 -0.04 2.03 1.69 2yqjB1 PRO 419 HD2 -0.61 0.12 0.08 -0.04 3.68 3.22 2yqjB1 PRO 419 HD3 -2.35 0.13 -0.12 -0.04 3.65 1.27 2yqjB1 LEU 420 H -0.11 0.50 0.19 -0.55 8.37 8.40 2yqjB1 LEU 420 HA -0.17 0.08 0.51 -0.75 4.35 4.02 2yqjB1 LEU 420 HB2 -0.16 0.03 0.07 -0.04 1.64 1.54 2yqjB1 LEU 420 HB3 -0.15 -0.04 0.25 -0.04 1.64 1.65 2yqjB1 LEU 420 HG -0.32 -0.03 -0.21 -0.04 1.64 1.05 2yqjB1 LEU 420 HD13 -0.37 0.02 -0.22 -0.04 0.93 0.32 2yqjB1 LEU 420 HD23 -0.55 -0.00 -0.06 -0.04 0.89 0.24 2yqjB1 LYS 421 H -0.14 0.49 0.09 -0.55 8.42 8.32 2yqjB1 LYS 421 HA -0.09 0.12 1.04 -0.75 4.32 4.62 2yqjB1 LYS 421 HB2 -0.09 0.12 0.10 -0.04 1.87 1.96 2yqjB1 LYS 421 HB3 -0.07 -0.05 0.00 -0.04 1.79 1.63 2yqjB1 LYS 421 HG2 -0.10 -0.07 -0.38 -0.04 1.46 0.87 2yqjB1 LYS 421 HG3 -0.07 0.02 -0.07 -0.04 1.46 1.30 2yqjB1 LYS 421 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.58 2yqjB1 LYS 421 HD3 -0.05 0.04 -0.19 -0.04 1.68 1.45 2yqjB1 LYS 421 HE2 0.02 -0.04 -0.11 -0.04 2.99 2.81 2yqjB1 LYS 421 HE3 0.01 0.08 -0.03 -0.04 2.99 3.01 2yqjB1 ASN 422 H -0.12 0.82 0.40 -0.55 8.53 9.08 2yqjB1 ASN 422 HA -0.09 0.28 0.86 -0.75 4.76 5.06 2yqjB1 ASN 422 HB2 -0.08 0.02 -0.02 -0.04 2.88 2.77 2yqjB1 ASN 422 HB3 -0.06 0.06 0.11 -0.04 2.79 2.87 2yqjB1 ASN 422 HD21 -0.07 -0.09 -0.04 -0.04 7.03 6.79 2yqjB1 ASN 422 HD22 -0.07 0.32 0.04 -0.04 7.74 8.00 2yqjB1 ALA 423 H -0.07 0.43 0.33 -0.55 8.40 8.55 2yqjB1 ALA 423 HA -0.11 -0.07 0.54 -0.75 4.34 3.95 2yqjB1 ALA 423 HB3 -0.03 0.17 0.24 -0.04 1.41 1.75 2yqjB1 ASP 424 H -0.03 0.07 0.22 -0.55 8.40 8.11 2yqjB1 ASP 424 HA -0.05 -0.06 0.45 -0.75 4.63 4.21 2yqjB1 ASP 424 HB2 -0.00 0.04 0.17 -0.04 2.71 2.87 2yqjB1 ASP 424 HB3 -0.02 0.07 0.02 -0.04 2.70 2.73 2yqjB1 GLY 425 H -0.04 0.14 0.15 -0.55 8.43 8.14 2yqjB1 GLY 425 HA2 -0.02 -0.02 0.34 -0.51 4.01 3.80 2yqjB1 GLY 425 HA3 -0.02 0.22 0.84 -0.51 4.01 4.53 2yqjB1 ALA 426 H -0.04 0.25 -0.18 -0.55 8.40 7.88 2yqjB1 ALA 426 HA -0.03 0.09 0.56 -0.75 4.34 4.21 2yqjB1 ALA 426 HB3 -0.05 0.01 0.00 -0.04 1.41 1.33 2yqjB1 LYS 427 H -0.03 0.11 0.14 -0.55 8.42 8.09 2yqjB1 LYS 427 HA -0.03 0.11 0.45 -0.75 4.32 4.09 2yqjB1 LYS 427 HB2 -0.02 0.05 0.11 -0.04 1.87 1.97 2yqjB1 LYS 427 HB3 -0.03 -0.06 0.15 -0.04 1.79 1.82 2yqjB1 LYS 427 HG2 -0.02 -0.03 -0.22 -0.04 1.46 1.15 2yqjB1 LYS 427 HG3 -0.02 0.02 0.01 -0.04 1.46 1.43 2yqjB1 LYS 427 HD2 -0.01 0.03 0.00 -0.04 1.69 1.67 2yqjB1 LYS 427 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 2yqjB1 LYS 427 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.93 2yqjB1 LYS 427 HE3 -0.01 -0.04 -0.06 -0.04 2.99 2.84 2yqjB1 ASN 428 H -0.04 0.11 -0.02 -0.55 8.53 8.03 2yqjB1 ASN 428 HA -0.05 0.24 0.99 -0.75 4.76 5.19 2yqjB1 ASN 428 HB2 -0.04 -0.01 -0.00 -0.04 2.88 2.79 2yqjB1 ASN 428 HB3 -0.04 -0.02 0.04 -0.04 2.79 2.73 2yqjB1 ASN 428 HD21 0.00 0.04 -0.03 -0.04 7.03 7.00 2yqjB1 ASN 428 HD22 0.00 -0.07 0.06 -0.04 7.74 7.69 2yqjB1 ASP 429 H -0.07 0.14 0.13 -0.55 8.40 8.05 2yqjB1 ASP 429 HA -0.12 0.12 0.40 -0.75 4.63 4.28 2yqjB1 ASP 429 HB2 -0.10 0.04 0.11 -0.04 2.71 2.72 2yqjB1 ASP 429 HB3 -0.13 0.15 0.14 -0.04 2.70 2.82 2yqjB1 THR 430 H -0.12 -0.03 0.02 -0.55 8.28 7.59 2yqjB1 THR 430 HA -0.14 0.62 0.94 -0.75 4.39 5.06 2yqjB1 THR 430 HB -0.09 -0.03 0.01 -0.04 4.32 4.17 2yqjB1 THR 430 HG23 -0.08 0.08 -0.43 -0.04 1.22 0.75 2yqjB1 PRO 431 HA -0.12 0.07 0.41 -0.51 4.44 4.30 2yqjB1 PRO 431 HB2 0.03 0.03 0.07 -0.04 2.28 2.37 2yqjB1 PRO 431 HB3 0.18 0.07 0.07 -0.04 2.02 2.29 2yqjB1 PRO 431 HG2 -0.05 0.04 0.11 -0.04 2.03 2.09 2yqjB1 PRO 431 HG3 -0.58 0.06 0.04 -0.04 2.03 1.50 2yqjB1 PRO 431 HD2 -0.09 -0.01 0.22 -0.04 3.68 3.75 2yqjB1 PRO 431 HD3 -0.21 0.58 0.29 -0.04 3.65 4.27 2yqjB1 THR 432 H -0.07 0.11 -0.20 -0.55 8.28 7.58 2yqjB1 THR 432 HA -0.05 0.17 0.41 -0.75 4.39 4.16 2yqjB1 THR 432 HB -0.07 -0.05 0.05 -0.04 4.32 4.21 2yqjB1 THR 432 HG23 -0.07 0.03 -0.14 -0.04 1.22 0.99 2yqjB1 THR 433 H -0.13 0.02 -0.17 -0.55 8.28 7.46 2yqjB1 THR 433 HA -0.30 0.12 0.50 -0.75 4.39 3.95 2yqjB1 THR 433 HB -0.41 0.05 0.06 -0.04 4.32 3.98 2yqjB1 THR 433 HG23 -0.14 0.02 0.05 -0.04 1.22 1.12 2yqjB1 CYS 434 H -0.14 0.57 -0.21 -0.55 8.50 8.18 2yqjB1 CYS 434 HA -0.04 0.01 0.36 -0.75 4.58 4.14 2yqjB1 CYS 434 HB2 -0.08 0.12 0.14 -0.04 2.97 3.11 2yqjB1 CYS 434 HB3 -0.04 -0.04 -0.01 -0.04 2.97 2.84 2yqjB1 ARG 435 H -0.08 0.54 -0.16 -0.55 8.46 8.21 2yqjB1 ARG 435 HA -0.04 -0.03 0.33 -0.75 4.34 3.85 2yqjB1 ARG 435 HB2 -0.04 0.20 0.17 -0.04 1.90 2.19 2yqjB1 ARG 435 HB3 -0.05 0.02 0.17 -0.04 1.80 1.90 2yqjB1 ARG 435 HG2 -0.03 -0.11 -0.15 -0.04 1.67 1.33 2yqjB1 ARG 435 HG3 -0.05 -0.02 -0.15 -0.04 1.67 1.41 2yqjB1 ARG 435 HD2 -0.03 -0.08 -0.04 -0.04 3.22 3.03 2yqjB1 ARG 435 HD3 -0.03 0.10 -0.02 -0.04 3.22 3.23 2yqjB1 ASN 436 H -0.11 0.52 -0.05 -0.55 8.53 8.35 2yqjB1 ASN 436 HA -0.04 0.02 0.40 -0.75 4.76 4.39 2yqjB1 ASN 436 HB2 -0.21 0.03 0.16 -0.04 2.88 2.83 2yqjB1 ASN 436 HB3 -0.07 -0.02 0.04 -0.04 2.79 2.69 2yqjB1 ASN 436 HD21 -0.07 -0.03 -0.02 -0.04 7.03 6.87 2yqjB1 ASN 436 HD22 -0.11 -0.04 -0.02 -0.04 7.74 7.53 2yqjB1 HIS 437 H -0.17 0.62 -0.12 -0.55 8.41 8.20 2yqjB1 HIS 437 HA -0.08 -0.01 0.43 -0.75 4.63 4.22 2yqjB1 HIS 437 HB2 -0.06 0.11 0.14 -0.04 3.26 3.41 2yqjB1 HIS 437 HB3 -0.09 0.00 -0.03 -0.04 3.20 3.04 2yqjB1 HIS 437 HD2 -0.06 -0.02 -0.02 -0.04 6.97 6.82 2yqjB1 HIS 437 HE1 -0.08 -0.09 0.02 -0.04 7.75 7.55 2yqjB1 TYR 438 H 0.13 0.58 -0.19 -0.55 8.29 8.26 2yqjB1 TYR 438 HA -0.13 0.04 0.38 -0.75 4.56 4.09 2yqjB1 TYR 438 HB2 -0.06 0.12 0.11 -0.04 3.06 3.19 2yqjB1 TYR 438 HB3 -0.07 0.06 0.18 -0.04 2.98 3.11 2yqjB1 TYR 438 HD2 -0.07 -0.00 -0.16 -0.04 7.15 6.88 2yqjB1 TYR 438 HE2 -0.03 0.05 0.04 -0.04 6.85 6.87 2yqjB1 LEU 439 H 0.08 0.66 0.02 -0.55 8.37 8.58 2yqjB1 LEU 439 HA 0.01 0.06 0.49 -0.75 4.35 4.16 2yqjB1 LEU 439 HB2 -0.01 0.07 0.12 -0.04 1.64 1.78 2yqjB1 LEU 439 HB3 -0.01 -0.09 -0.02 -0.04 1.64 1.48 2yqjB1 LEU 439 HG 0.04 0.18 0.08 -0.04 1.64 1.91 2yqjB1 LEU 439 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.79 2yqjB1 LEU 439 HD23 0.06 -0.04 -0.16 -0.04 0.89 0.71 2yqjB1 GLU 440 H -0.05 0.80 -0.07 -0.55 8.60 8.74 2yqjB1 GLU 440 HA -0.08 -0.01 0.46 -0.75 4.29 3.90 2yqjB1 GLU 440 HB2 -0.03 0.13 0.20 -0.04 2.09 2.35 2yqjB1 GLU 440 HB3 -0.07 -0.07 -0.00 -0.04 1.99 1.81 2yqjB1 GLU 440 HG2 -0.03 -0.04 0.03 -0.04 2.34 2.26 2yqjB1 GLU 440 HG3 -0.03 -0.02 0.04 -0.04 2.34 2.29 2yqjB1 ARG 441 H -0.25 0.67 -0.11 -0.55 8.46 8.22 2yqjB1 ARG 441 HA -0.45 -0.04 0.40 -0.75 4.34 3.50 2yqjB1 ARG 441 HB2 -0.40 0.19 0.22 -0.04 1.90 1.86 2yqjB1 ARG 441 HB3 -0.68 0.10 0.21 -0.04 1.80 1.40 2yqjB1 ARG 441 HG2 -2.02 -0.08 -0.18 -0.04 1.67 -0.65 2yqjB1 ARG 441 HG3 -0.63 -0.10 0.06 -0.04 1.67 0.96 2yqjB1 ARG 441 HD2 -0.14 -0.05 0.08 -0.04 3.22 3.08 2yqjB1 ARG 441 HD3 -0.31 0.06 0.12 -0.04 3.22 3.04 2yqjB1 SER 442 H -0.47 0.60 -0.09 -0.55 8.46 7.95 2yqjB1 SER 442 HA -0.54 -0.03 0.34 -0.75 4.49 3.51 2yqjB1 SER 442 HB2 -0.17 0.17 0.36 -0.04 3.95 4.28 2yqjB1 SER 442 HB3 -0.10 -0.04 -0.10 -0.04 3.93 3.65 2yqjB1 SER 443 H -0.17 0.89 0.00 -0.55 8.46 8.64 2yqjB1 SER 443 HA -0.08 -0.08 0.38 -0.75 4.49 3.96 2yqjB1 SER 443 HB2 -0.08 0.10 0.17 -0.04 3.95 4.11 2yqjB1 SER 443 HB3 -0.04 -0.03 0.04 -0.04 3.93 3.85 2yqjB1 LYS 444 H -0.18 0.75 -0.15 -0.55 8.42 8.28 2yqjB1 LYS 444 HA -0.03 -0.03 0.40 -0.75 4.32 3.91 2yqjB1 LYS 444 HB2 -0.10 0.02 0.12 -0.04 1.87 1.86 2yqjB1 LYS 444 HB3 -0.22 0.19 0.19 -0.04 1.79 1.91 2yqjB1 LYS 444 HG2 0.05 -0.06 -0.12 -0.04 1.46 1.29 2yqjB1 LYS 444 HG3 -0.01 -0.05 0.00 -0.04 1.46 1.36 2yqjB1 LYS 444 HD2 0.14 0.05 -0.10 -0.04 1.69 1.73 2yqjB1 LYS 444 HD3 0.06 -0.06 -0.06 -0.04 1.68 1.58 2yqjB1 LYS 444 HE2 -0.06 -0.06 -0.05 -0.04 2.99 2.78 2yqjB1 LYS 444 HE3 -0.20 0.11 0.01 -0.04 2.99 2.87 2yqjB1 TRP 445 H -0.11 0.58 -0.17 -0.55 7.97 7.72 2yqjB1 TRP 445 HA -0.05 -0.01 0.33 -0.75 4.62 4.14 2yqjB1 TRP 445 HB2 -0.08 0.19 0.12 -0.04 3.23 3.41 2yqjB1 TRP 445 HB3 -0.06 -0.06 -0.05 -0.04 3.23 3.01 2yqjB1 TRP 445 HD1 -0.05 -0.06 -0.06 -0.04 7.22 7.00 2yqjB1 TRP 445 HE1 -0.06 -0.05 -0.07 -0.04 10.20 9.98 2yqjB1 TRP 445 HE3 -0.08 -0.01 -0.10 -0.04 7.59 7.36 2yqjB1 TRP 445 HZ2 -0.11 0.03 -0.06 -0.04 7.44 7.26 2yqjB1 TRP 445 HZ3 -0.12 0.09 -0.18 -0.04 7.13 6.88 2yqjB1 TRP 445 HH2 -0.20 0.20 -0.01 -0.04 7.19 7.14 2yqjB1 VAL 446 H 0.09 0.43 -0.24 -0.55 8.24 7.96 2yqjB1 VAL 446 HA -0.01 0.03 0.32 -0.75 4.13 3.71 2yqjB1 VAL 446 HB -0.05 0.10 0.04 -0.04 2.12 2.17 2yqjB1 VAL 446 HG13 -0.10 -0.02 -0.25 -0.04 0.97 0.56 2yqjB1 VAL 446 HG23 -0.14 0.03 -0.10 -0.04 0.95 0.70 2yqjB1 ILE 447 H 0.02 0.54 -0.13 -0.55 8.25 8.13 2yqjB1 ILE 447 HA 0.01 0.33 0.39 -0.75 4.18 4.15 2yqjB1 ILE 447 HB 0.01 0.06 0.14 -0.04 1.89 2.05 2yqjB1 ILE 447 HG12 0.01 -0.00 -0.04 -0.04 1.49 1.42 2yqjB1 ILE 447 HG13 0.00 0.12 0.02 -0.04 1.21 1.32 2yqjB1 ILE 447 HG23 0.00 -0.01 -0.05 -0.04 0.93 0.83 2yqjB1 ILE 447 HD13 -0.00 -0.03 -0.04 -0.04 0.88 0.77 2yqjB1 GLN 448 H 0.05 0.69 -0.08 -0.55 8.47 8.59 2yqjB1 GLN 448 HA 0.02 -0.03 0.36 -0.75 4.36 3.96 2yqjB1 GLN 448 HB2 0.08 0.14 0.08 -0.04 2.15 2.41 2yqjB1 GLN 448 HB3 0.04 -0.09 0.06 -0.04 2.02 1.99 2yqjB1 ASN 449 H 0.02 0.34 -0.72 -0.55 8.53 7.62 2yqjB1 ASN 449 HA -0.01 0.09 0.77 -0.75 4.76 4.85 2yqjB1 ASN 449 HB2 -0.03 0.15 0.05 -0.04 2.88 3.02 2yqjB1 ASN 449 HB3 -0.05 -0.02 -0.01 -0.04 2.79 2.66 2yqjB1 ASN 449 HD21 -0.06 -0.01 -0.03 -0.04 7.03 6.89 2yqjB1 ASN 449 HD22 0.02 0.68 0.05 -0.04 7.74 8.45 2yqjB1 GLY 450 H -0.00 0.67 -0.22 -0.55 8.43 8.33 2yqjB1 GLY 450 HA2 -0.01 -0.01 0.36 -0.51 4.01 3.84 2yqjB1 GLY 450 HA3 -0.01 0.03 0.74 -0.51 4.01 4.26 2yqjB1 GLY 451 H 0.01 0.38 -0.27 -0.55 8.43 7.99 2yqjB1 GLY 451 HA2 0.04 0.25 0.48 -0.51 4.01 4.26 2yqjB1 GLY 451 HA3 0.14 -0.08 0.11 -0.51 4.01 3.68 2yqjB1 VAL 452 H -0.04 0.69 0.28 -0.55 8.24 8.63 2yqjB1 VAL 452 HA -0.05 0.13 0.83 -0.75 4.13 4.28 2yqjB1 VAL 452 HB -0.70 0.04 0.02 -0.04 2.12 1.43 2yqjB1 VAL 452 HG13 -0.19 -0.04 -0.22 -0.04 0.97 0.49 2yqjB1 VAL 452 HG23 -0.21 0.04 -0.14 -0.04 0.95 0.60 2yqjB1 ILE 453 H 0.01 0.24 0.07 -0.55 8.25 8.02 2yqjB1 ILE 453 HA 0.12 0.18 0.97 -0.75 4.18 4.69 2yqjB1 ILE 453 HB 0.03 0.03 -0.01 -0.04 1.89 1.90 2yqjB1 ILE 453 HG12 0.15 -0.00 -0.32 -0.04 1.49 1.27 2yqjB1 ILE 453 HG13 0.08 -0.01 -0.38 -0.04 1.21 0.85 2yqjB1 ILE 453 HG23 0.07 0.00 -0.44 -0.04 0.93 0.51 2yqjB1 ILE 453 HD13 -0.01 -0.00 -0.16 -0.04 0.88 0.67 2yqjB1 ASP 454 H 0.08 0.57 0.24 -0.55 8.40 8.74 2yqjB1 ASP 454 HA 0.05 0.03 0.46 -0.75 4.63 4.42 2yqjB1 ASP 454 HB2 0.06 -0.01 0.16 -0.04 2.71 2.87 2yqjB1 ASP 454 HB3 0.05 -0.01 0.05 -0.04 2.70 2.75 2yqjB1 ASN 455 H 0.03 0.14 0.19 -0.55 8.53 8.35 2yqjB1 ASN 455 HA 0.02 0.04 0.36 -0.75 4.76 4.42 2yqjB1 ASN 455 HB2 0.02 0.08 -0.13 -0.04 2.88 2.81 2yqjB1 ASN 455 HB3 0.01 0.04 0.20 -0.04 2.79 3.00 2yqjB1 ASN 455 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2yqjB1 ASN 455 HD22 0.01 0.03 0.04 -0.04 7.74 7.78 2yqjB1 GLN 456 H 0.02 0.15 -0.14 -0.55 8.47 7.94 2yqjB1 GLN 456 HA 0.01 0.04 0.27 -0.75 4.36 3.93 2yqjB1 GLN 456 HB2 0.00 0.15 -0.08 -0.04 2.15 2.18 2yqjB1 GLN 456 HB3 -0.00 -0.00 0.19 -0.04 2.02 2.17 2yqjB1 GLN 456 HG2 0.01 -0.11 -0.12 -0.04 2.40 2.13 2yqjB1 GLN 456 HG3 0.00 -0.00 -0.06 -0.04 2.39 2.29 2yqjB1 GLN 456 HE21 -0.00 0.01 0.01 -0.04 6.97 6.95 2yqjB1 GLN 456 HE22 0.00 -0.03 0.00 -0.04 7.69 7.62 2yqjB1 GLY 457 H 0.02 0.27 -0.58 -0.55 8.43 7.60 2yqjB1 GLY 457 HA2 0.01 0.10 0.43 -0.51 4.01 4.03 2yqjB1 GLY 457 HA3 0.03 -0.10 0.28 -0.51 4.01 3.70 2yqjB1 LEU 458 H 0.01 0.13 0.20 -0.55 8.37 8.16 2yqjB1 LEU 458 HA -0.02 0.20 0.82 -0.75 4.35 4.60 2yqjB1 LEU 458 HB2 -0.01 -0.06 0.06 -0.04 1.64 1.60 2yqjB1 LEU 458 HB3 -0.02 0.05 -0.04 -0.04 1.64 1.59 2yqjB1 LEU 458 HG -0.01 0.09 -0.31 -0.04 1.64 1.36 2yqjB1 LEU 458 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2yqjB1 LEU 458 HD23 -0.03 0.05 -0.07 -0.04 0.89 0.79 2yqjB1 VAL 459 H -0.04 0.21 0.09 -0.55 8.24 7.96 2yqjB1 VAL 459 HA -0.01 0.17 0.96 -0.75 4.13 4.50 2yqjB1 VAL 459 HB -0.11 0.12 -0.06 -0.04 2.12 2.03 2yqjB1 VAL 459 HG13 -0.02 -0.03 -0.30 -0.04 0.97 0.58 2yqjB1 VAL 459 HG23 -0.16 -0.01 -0.29 -0.04 0.95 0.46 2yqjB1 GLU 460 H -0.01 0.70 0.29 -0.55 8.60 9.03 2yqjB1 GLU 460 HA 0.05 0.18 0.87 -0.75 4.29 4.64 2yqjB1 GLU 460 HB2 0.05 0.02 -0.01 -0.04 2.09 2.10 2yqjB1 GLU 460 HB3 0.03 0.04 0.10 -0.04 1.99 2.12 2yqjB1 GLU 460 HG2 0.11 -0.06 -0.53 -0.04 2.34 1.81 2yqjB1 GLU 460 HG3 0.24 0.09 -0.06 -0.04 2.34 2.58 2yqjB1 VAL 461 H 0.06 0.28 0.11 -0.55 8.24 8.14 2yqjB1 VAL 461 HA 0.07 -0.08 0.85 -0.75 4.13 4.20 2yqjB1 VAL 461 HB 0.22 0.04 0.08 -0.04 2.12 2.43 2yqjB1 VAL 461 HG13 0.20 0.02 -0.21 -0.04 0.97 0.94 2yqjB1 VAL 461 HG23 0.12 0.01 -0.12 -0.04 0.95 0.91 2yqjB1 ASP 462 H 0.10 -0.01 0.10 -0.55 8.40 8.04 2yqjB1 ASP 462 HA 0.12 0.11 0.54 -0.75 4.63 4.64 2yqjB1 ASP 462 HB2 0.08 0.05 0.02 -0.04 2.71 2.82 2yqjB1 ASP 462 HB3 0.08 0.05 0.09 -0.04 2.70 2.89 2yqjB1 SER 463 H 0.11 0.16 0.14 -0.55 8.46 8.32 2yqjB1 SER 463 HA 0.11 0.40 0.31 -0.75 4.49 4.55 2yqjB1 SER 463 HB2 0.09 -0.07 0.07 -0.04 3.95 3.99 2yqjB1 SER 463 HB3 0.08 0.11 -0.30 -0.04 3.93 3.78 2yqjB1 LYS 464 H 0.08 -0.01 -0.32 -0.55 8.42 7.62 2yqjB1 LYS 464 HA 0.06 0.10 0.31 -0.75 4.32 4.03 2yqjB1 LYS 464 HB2 0.06 -0.01 0.03 -0.04 1.87 1.91 2yqjB1 LYS 464 HB3 0.06 -0.07 -0.04 -0.04 1.79 1.70 2yqjB1 LYS 464 HG2 0.03 0.04 -0.16 -0.04 1.46 1.33 2yqjB1 LYS 464 HG3 0.04 0.03 0.01 -0.04 1.46 1.50 2yqjB1 LYS 464 HD2 0.03 0.02 -0.03 -0.04 1.69 1.66 2yqjB1 LYS 464 HD3 0.04 -0.00 -0.02 -0.04 1.68 1.66 2yqjB1 LYS 464 HE2 0.05 -0.08 -0.05 -0.04 2.99 2.87 2yqjB1 LYS 464 HE3 0.03 0.03 -0.07 -0.04 2.99 2.95 2yqjB1 THR 465 H 0.08 0.16 -0.52 -0.55 8.28 7.45 2yqjB1 THR 465 HA 0.05 0.10 0.50 -0.75 4.39 4.29 2yqjB1 THR 465 HB 0.13 0.04 0.12 -0.04 4.32 4.56 2yqjB1 THR 465 HG23 0.24 -0.02 -0.10 -0.04 1.22 1.30 2yqjB1 SER 466 H 0.10 0.40 -0.01 -0.55 8.46 8.39 2yqjB1 SER 466 HA 0.01 0.17 0.72 -0.75 4.49 4.64 2yqjB1 SER 466 HB2 0.02 0.14 -0.33 -0.04 3.95 3.74 2yqjB1 SER 466 HB3 0.02 -0.05 -0.11 -0.04 3.93 3.74 2yqjB1 TYR 467 H 0.06 0.11 0.08 -0.55 8.29 8.00 2yqjB1 TYR 467 HA 0.00 0.16 0.56 -0.75 4.56 4.53 2yqjB1 TYR 467 HB2 -0.04 0.08 0.04 -0.04 3.06 3.10 2yqjB1 TYR 467 HB3 -0.09 -0.15 0.14 -0.04 2.98 2.84 2yqjB1 TYR 467 HD2 -0.05 -0.01 -0.04 -0.04 7.15 7.02 2yqjB1 TYR 467 HE2 -0.02 0.02 -0.07 -0.04 6.85 6.74 2yqjB1 GLY 468 H -0.13 -0.05 0.03 -0.55 8.43 7.73 2yqjB1 GLY 468 HA2 -0.41 0.32 0.76 -0.51 4.01 4.17 2yqjB1 GLY 468 HA3 -0.15 0.00 0.29 -0.51 4.01 3.64 2yqjB1 GLY 469 H -1.12 0.15 -0.16 -0.55 8.43 6.74 2yqjB1 GLY 469 HA2 -1.32 0.05 0.23 -0.51 4.01 2.46 2yqjB1 GLY 469 HA3 -1.63 0.23 0.78 -0.51 4.01 2.88 2yqjB1 GLU 470 H -0.35 -0.13 -0.14 -0.55 8.60 7.43 2yqjB1 GLU 470 HA -0.15 0.15 0.62 -0.75 4.29 4.15 2yqjB1 GLU 470 HB2 -0.08 0.02 0.10 -0.04 2.09 2.10 2yqjB1 GLU 470 HB3 -0.13 0.00 0.02 -0.04 1.99 1.84 2yqjB1 GLU 470 HG2 -0.05 0.14 -0.40 -0.04 2.34 1.99 2yqjB1 GLU 470 HG3 -0.06 0.07 -0.03 -0.04 2.34 2.28 2yqjB1 GLY 471 H -0.03 0.12 0.16 -0.55 8.43 8.14 2yqjB1 GLY 471 HA2 0.05 -0.01 0.37 -0.51 4.01 3.91 2yqjB1 GLY 471 HA3 0.04 0.20 0.45 -0.51 4.01 4.18 2yqjB1 LEU 472 H -0.00 0.12 -0.25 -0.55 8.37 7.69 2yqjB1 LEU 472 HA 0.12 0.24 0.80 -0.75 4.35 4.75 2yqjB1 LEU 472 HB2 -0.06 0.12 -0.10 -0.04 1.64 1.56 2yqjB1 LEU 472 HB3 -0.11 -0.01 0.03 -0.04 1.64 1.50 2yqjB1 LEU 472 HG -0.04 0.11 -0.48 -0.04 1.64 1.19 2yqjB1 LEU 472 HD13 0.03 0.02 -0.21 -0.04 0.93 0.73 2yqjB1 LEU 472 HD23 0.09 0.00 -0.16 -0.04 0.89 0.78 2yqjB1 GLU 473 H 0.07 0.04 -0.08 -0.55 8.60 8.07 2yqjB1 GLU 473 HA -0.01 0.21 0.48 -0.75 4.29 4.20 2yqjB1 GLU 473 HB2 0.07 0.01 0.03 -0.04 2.09 2.17 2yqjB1 GLU 473 HB3 0.03 0.06 0.10 -0.04 1.99 2.14 2yqjB1 GLU 473 HG2 0.01 0.05 0.06 -0.04 2.34 2.42 2yqjB1 GLU 473 HG3 0.00 0.04 0.08 -0.04 2.34 2.41 2yqjB1 PHE 474 H 0.35 0.09 -0.38 -0.55 8.34 7.84 2yqjB1 PHE 474 HA 0.03 0.07 0.30 -0.75 4.62 4.27 2yqjB1 PHE 474 HB2 0.04 0.01 0.08 -0.04 3.15 3.24 2yqjB1 PHE 474 HB3 0.03 -0.03 0.05 -0.04 3.06 3.06 2yqjB1 PHE 474 HD2 0.05 -0.02 -0.10 -0.04 7.28 7.17 2yqjB1 PHE 474 HE2 0.07 0.06 -0.01 -0.04 7.38 7.46 2yqjB1 PHE 474 HZ 0.05 -0.01 -0.03 -0.04 7.32 7.28 2yqjB1 VAL 475 H -0.45 0.46 -0.58 -0.55 8.24 7.12 2yqjB1 VAL 475 HA -0.14 0.11 0.57 -0.75 4.13 3.92 2yqjB1 VAL 475 HB 0.17 -0.09 0.04 -0.04 2.12 2.21 2yqjB1 VAL 475 HG13 -0.86 0.00 -0.05 -0.04 0.97 0.01 2yqjB1 VAL 475 HG23 -0.09 0.04 -0.17 -0.04 0.95 0.69 2yqjB1 ASN 476 H -0.05 0.47 -0.22 -0.55 8.53 8.19 2yqjB1 ASN 476 HA -0.02 -0.04 0.32 -0.75 4.76 4.28 2yqjB1 ASN 476 HB2 -0.00 0.18 0.25 -0.04 2.88 3.26 2yqjB1 ASN 476 HB3 0.01 -0.07 0.08 -0.04 2.79 2.76 2yqjB1 ASN 476 HD21 0.00 -0.06 -0.01 -0.04 7.03 6.92 2yqjB1 ASN 476 HD22 0.01 -0.03 0.01 -0.04 7.74 7.68 2yqjB1 GLY 477 H -0.03 0.42 0.11 -0.55 8.43 8.39 2yqjB1 GLY 477 HA2 -0.03 -0.01 0.37 -0.51 4.01 3.82 2yqjB1 GLY 477 HA3 0.00 -0.01 0.38 -0.51 4.01 3.86 2yqjB1 LYS 478 H -0.04 0.60 -0.51 -0.55 8.42 7.91 2yqjB1 LYS 478 HA -0.04 0.07 0.79 -0.75 4.32 4.38 2yqjB1 LYS 478 HB2 -0.06 0.08 -0.04 -0.04 1.87 1.81 2yqjB1 LYS 478 HB3 -0.15 0.04 0.04 -0.04 1.79 1.68 2yqjB1 LYS 478 HG2 -0.83 0.05 -0.14 -0.04 1.46 0.51 2yqjB1 LYS 478 HG3 -0.20 -0.08 0.10 -0.04 1.46 1.24 2yqjB1 LYS 478 HD2 0.02 0.03 -0.01 -0.04 1.69 1.69 2yqjB1 LYS 478 HD3 0.04 -0.03 -0.05 -0.04 1.68 1.60 2yqjB1 LYS 478 HE2 -0.18 0.02 -0.01 -0.04 2.99 2.78 2yqjB1 LYS 478 HE3 -0.06 -0.03 0.02 -0.04 2.99 2.88 2yqjB1 HIS 479 H -0.07 0.12 0.19 -0.55 8.41 8.10 2yqjB1 HIS 479 HA -0.16 0.30 1.02 -0.75 4.63 5.03 2yqjB1 HIS 479 HB2 -0.14 -0.03 0.12 -0.04 3.26 3.16 2yqjB1 HIS 479 HB3 -0.09 -0.03 -0.03 -0.04 3.20 3.01 2yqjB1 HIS 479 HD2 -0.02 -0.07 -0.06 -0.04 6.97 6.78 2yqjB1 HIS 479 HE1 -0.03 0.04 -0.03 -0.04 7.75 7.68 2yqjB1 PHE 480 H 0.06 0.68 0.45 -0.55 8.34 8.98 2yqjB1 PHE 480 HA 0.05 0.20 0.94 -0.75 4.62 5.05 2yqjB1 PHE 480 HB2 0.00 -0.01 -0.10 -0.04 3.15 3.01 2yqjB1 PHE 480 HB3 0.02 -0.06 -0.08 -0.04 3.06 2.90 2yqjB1 PHE 480 HD2 -0.00 -0.02 -0.16 -0.04 7.28 7.06 2yqjB1 PHE 480 HE2 -0.02 0.05 -0.11 -0.04 7.38 7.26 2yqjB1 PHE 480 HZ -0.06 0.02 -0.11 -0.04 7.32 7.14 2yqjB1 LYS 481 H 0.22 0.21 0.11 -0.55 8.42 8.41 2yqjB1 LYS 481 HA 0.09 0.11 0.94 -0.75 4.32 4.70 2yqjB1 LYS 481 HB2 0.06 0.02 -0.05 -0.04 1.87 1.85 2yqjB1 LYS 481 HB3 0.08 -0.00 0.06 -0.04 1.79 1.90 2yqjB1 LYS 481 HG2 0.05 0.21 -0.30 -0.04 1.46 1.38 2yqjB1 LYS 481 HG3 0.04 -0.05 0.00 -0.04 1.46 1.41 2yqjB1 LYS 481 HD2 0.04 -0.01 -0.04 -0.04 1.69 1.63 2yqjB1 LYS 481 HD3 0.03 0.03 -0.04 -0.04 1.68 1.66 2yqjB1 LYS 481 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.94 2yqjB1 LYS 481 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.92 2yqjB1 ASN 482 H 0.05 0.18 0.11 -0.55 8.53 8.33 2yqjB1 ASN 482 HA 0.03 -0.05 0.35 -0.75 4.76 4.34 2yqjB1 ASN 482 HB2 0.03 0.05 0.20 -0.04 2.88 3.12 2yqjB1 ASN 482 HB3 0.03 0.02 0.15 -0.04 2.79 2.94 2yqjB1 ASN 482 HD21 0.01 0.01 -0.03 -0.04 7.03 6.98 2yqjB1 ASN 482 HD22 0.01 -0.01 -0.04 -0.04 7.74 7.66 2yqjB1 GLY 483 H 0.02 0.69 0.42 -0.55 8.43 9.01 2yqjB1 GLY 483 HA2 0.01 -0.03 0.43 -0.51 4.01 3.92 2yqjB1 GLY 483 HA3 0.02 0.13 0.80 -0.51 4.01 4.46 2yqjB1 ASP 484 H 0.05 0.35 0.06 -0.55 8.40 8.31 2yqjB1 ASP 484 HA 0.07 0.09 0.50 -0.75 4.63 4.53 2yqjB1 ASP 484 HB2 0.10 -0.09 0.03 -0.04 2.71 2.71 2yqjB1 ASP 484 HB3 0.14 0.04 -0.05 -0.04 2.70 2.79 2yqjB1 ILE 485 H 0.06 0.24 0.19 -0.55 8.25 8.19 2yqjB1 ILE 485 HA 0.02 0.20 0.96 -0.75 4.18 4.60 2yqjB1 ILE 485 HB 0.05 0.03 0.12 -0.04 1.89 2.05 2yqjB1 ILE 485 HG12 0.03 -0.07 -0.13 -0.04 1.49 1.28 2yqjB1 ILE 485 HG13 0.03 0.12 -0.20 -0.04 1.21 1.12 2yqjB1 ILE 485 HG23 0.05 -0.02 -0.16 -0.04 0.93 0.76 2yqjB1 ILE 485 HD13 0.03 0.00 -0.22 -0.04 0.88 0.65 2yqjB1 ILE 486 H 0.01 0.75 0.29 -0.55 8.25 8.75 2yqjB1 ILE 486 HA 0.09 0.26 0.72 -0.75 4.18 4.50 2yqjB1 ILE 486 HB -0.09 0.00 0.01 -0.04 1.89 1.77 2yqjB1 ILE 486 HG12 -0.33 0.07 -0.22 -0.04 1.49 0.96 2yqjB1 ILE 486 HG13 -0.20 -0.11 -0.53 -0.04 1.21 0.32 2yqjB1 ILE 486 HG23 0.04 0.02 -0.03 -0.04 0.93 0.92 2yqjB1 ILE 486 HD13 -1.01 -0.00 -0.21 -0.04 0.88 -0.38