============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. PHE 3 1.000 55.791 54.698 108.863 -99.200 -91.000 PHE 7 1.000 50.425 54.590 110.960 -99.200 -91.000 PHE 21 1.000 40.100 60.018 112.441 -99.200 -91.000 TYR 25 0.840 39.521 70.658 110.315 -99.200 -91.000 HIS 26 0.900 37.681 71.655 115.320 -99.200 -91.000 TYR 34 0.840 50.673 80.627 119.062 -99.200 -91.000 TYR 46 0.840 63.383 89.881 115.387 -99.200 -91.000 HIS 50 0.900 66.951 87.997 113.402 -99.200 -91.000 TYR 54 0.840 65.382 74.650 117.735 -99.200 -91.000 TYR 59 0.840 71.751 66.399 112.101 -99.200 -91.000 TYR 60 0.840 70.982 73.158 108.351 -99.200 -91.000 PHE 67 1.000 59.172 63.175 109.777 -99.200 -91.000 PHE 95 1.000 45.017 56.156 112.166 -99.200 -91.000 TRP 106 1.040 55.252 66.051 115.959 -99.200 -91.000 TRP6 106 1.020 56.686 64.234 115.766 -99.200 -91.000 TYR 107 0.840 57.463 69.936 108.650 -99.200 -91.000 TYR 117 0.840 65.721 77.444 121.984 -99.200 -91.000 TYR 120 0.840 70.347 79.630 123.631 -99.200 -91.000 TRP 131 1.040 61.745 73.165 132.985 -99.200 -91.000 TRP6 131 1.020 61.752 73.874 135.277 -99.200 -91.000 PHE 134 1.000 67.640 71.641 119.418 -99.200 -91.000 PHE 143 1.000 72.705 60.231 127.738 -99.200 -91.000 TRP 150 1.040 68.371 47.102 121.164 -99.200 -91.000 TRP6 150 1.020 67.003 48.748 120.169 -99.200 -91.000 PHE 180 1.000 61.326 52.391 128.564 -99.200 -91.000 PHE 183 1.000 62.951 62.726 124.540 -99.200 -91.000 TYR 203 0.840 70.259 62.689 137.401 -99.200 -91.000 TYR 206 0.840 67.212 63.874 127.483 -99.200 -91.000 PHE 211 1.000 51.382 76.166 123.436 -99.200 -91.000 HIS 216 0.900 62.532 72.089 121.769 -99.200 -91.000 TYR 220 0.840 67.264 63.175 122.219 -99.200 -91.000 PHE 228 1.000 73.026 57.879 116.895 -99.200 -91.000 TYR 242 0.840 67.292 55.149 112.071 -99.200 -91.000 PHE 250 1.000 56.268 53.927 126.272 -99.200 -91.000 TYR 253 0.840 46.885 63.884 125.353 -99.200 -91.000 HIS 257 0.900 43.013 63.334 125.818 -99.200 -91.000 PHE 266 1.000 45.697 61.255 115.980 -99.200 -91.000 PHE 270 1.000 53.833 61.804 109.441 -99.200 -91.000 PHE 273 1.000 58.155 57.630 117.672 -99.200 -91.000 TRP 290 1.040 48.414 52.802 115.489 -99.200 -91.000 TRP6 290 1.020 50.738 53.104 115.361 -99.200 -91.000 PHE 291 1.000 44.448 59.981 121.354 -99.200 -91.000 PHE 292 1.000 46.209 51.948 123.616 -99.200 -91.000 TYR 297 0.840 48.212 57.428 136.457 -99.200 -91.000 PHE 323 1.000 72.127 48.742 139.121 -99.200 -91.000 PHE 327 1.000 69.024 56.639 139.162 -99.200 -91.000 TYR 338 0.840 76.564 57.104 156.230 -99.200 -91.000 PHE 349 1.000 91.753 44.929 146.877 -99.200 -91.000 TYR 390 0.840 85.189 26.308 135.834 -99.200 -91.000 PHE 398 1.000 86.740 34.942 128.915 -99.200 -91.000 HIS 407 0.900 83.566 54.202 135.532 -99.200 -91.000 PHE 409 1.000 79.001 45.152 135.561 -99.200 -91.000 TYR 412 0.840 74.233 51.343 134.350 -99.200 -91.000 TRP 417 1.040 81.040 59.565 141.299 -99.200 -91.000 TRP6 417 1.020 83.236 59.996 142.140 -99.200 -91.000 HIS 418 0.900 84.842 52.943 140.433 -99.200 -91.000 TRP 426 1.040 87.486 60.225 145.293 -99.200 -91.000 TRP6 426 1.020 87.352 62.112 143.808 -99.200 -91.000 PHE 438 1.000 75.509 50.418 149.207 -99.200 -91.000 PHE 440 1.000 80.219 49.462 153.137 -99.200 -91.000 TYR 443 0.840 79.757 48.969 147.127 -99.200 -91.000 PHE 455 1.000 81.334 40.071 130.922 -99.200 -91.000 PHE 467 1.000 88.370 41.214 151.543 -99.200 -91.000 TYR 476 0.840 91.735 37.293 150.774 -99.200 -91.000 TYR 484 0.840 94.897 44.332 140.326 -99.200 -91.000 PHE 502 1.000 94.825 44.353 113.491 -99.200 -91.000 TYR 503 0.840 89.507 39.538 118.037 -99.200 -91.000 PHE 511 1.000 69.362 52.812 117.477 -99.200 -91.000 HIS 515 0.900 80.874 52.503 111.920 -99.200 -91.000 TRP 532 1.040 92.901 43.097 119.389 -99.200 -91.000 TRP6 532 1.020 94.038 41.351 120.561 -99.200 -91.000 TYR 539 0.840 85.186 34.631 117.678 -99.200 -91.000 HIS 543 0.900 83.063 30.969 118.712 -99.200 -91.000 TRP 563 1.040 97.153 43.713 107.585 -99.200 -91.000 TRP6 563 1.020 97.619 45.766 108.714 -99.200 -91.000 TYR 569 0.840 84.578 41.121 109.214 -99.200 -91.000 TYR 571 0.840 82.473 44.484 98.365 -99.200 -91.000 TYR 584 0.840 98.770 51.171 111.579 -99.200 -91.000 PHE 597 1.000 81.314 60.975 115.605 -99.200 -91.000 HIS 617 0.900 85.717 73.128 123.260 -99.200 -91.000 PHE 627 1.000 81.252 66.044 118.899 -99.200 -91.000 PHE 643 1.000 87.552 67.439 107.539 -99.200 -91.000 TYR 650 0.840 93.993 56.140 116.939 -99.200 -91.000 PHE 656 1.000 96.637 60.773 116.989 -99.200 -91.000 TRP 668 1.040 92.293 74.890 119.137 -99.200 -91.000 TRP6 668 1.020 90.284 73.725 119.596 -99.200 -91.000 PHE 676 1.000 89.821 61.541 129.370 -99.200 -91.000 HIS 678 0.900 99.687 67.205 132.009 -99.200 -91.000 PHE 681 1.000 99.668 65.385 123.525 -99.200 -91.000 PHE 694 1.000 103.488 68.242 120.280 -99.200 -91.000 TYR 713 0.840 99.935 79.359 121.843 -99.200 -91.000 HIS 719 0.900 102.609 71.937 116.457 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z8yP1 THR 2 HA 0.00 0.02 0.15 -0.75 4.39 3.81 2z8yP1 THR 2 HB 0.02 -0.12 0.17 -0.04 4.32 4.35 2z8yP1 THR 2 HG23 -0.01 0.02 0.06 -0.04 1.22 1.26 2z8yP1 ASP 3 H 0.02 0.13 0.12 -0.55 8.40 8.12 2z8yP1 ASP 3 HA -0.01 0.13 0.55 -0.75 4.63 4.55 2z8yP1 ASP 3 HB2 0.03 -0.02 0.09 -0.04 2.71 2.76 2z8yP1 ASP 3 HB3 -0.00 0.08 -0.01 -0.04 2.70 2.73 2z8yP1 PHE 4 H 0.12 0.04 -0.04 -0.55 8.34 7.90 2z8yP1 PHE 4 HA -0.10 0.15 0.45 -0.75 4.62 4.37 2z8yP1 PHE 4 HB2 -0.10 -0.00 0.14 -0.04 3.15 3.15 2z8yP1 PHE 4 HB3 -0.12 -0.04 0.07 -0.04 3.06 2.93 2z8yP1 PHE 4 HD2 -0.11 -0.05 -0.12 -0.04 7.28 6.97 2z8yP1 PHE 4 HE2 -0.06 0.12 -0.18 -0.04 7.38 7.22 2z8yP1 PHE 4 HZ -0.14 0.15 -0.39 -0.04 7.32 6.91 2z8yP1 ASP 5 H 0.05 0.15 -0.41 -0.55 8.40 7.64 2z8yP1 ASP 5 HA 0.09 0.08 0.17 -0.75 4.63 4.22 2z8yP1 ASP 5 HB2 0.01 0.21 -0.06 -0.04 2.71 2.84 2z8yP1 ASP 5 HB3 0.04 -0.08 0.04 -0.04 2.70 2.66 2z8yP1 LYS 6 H -0.12 0.34 -0.77 -0.55 8.42 7.32 2z8yP1 LYS 6 HA -0.06 -0.05 0.56 -0.75 4.32 4.01 2z8yP1 LYS 6 HB2 -0.06 -0.08 0.15 -0.04 1.87 1.83 2z8yP1 LYS 6 HB3 -0.13 0.35 0.18 -0.04 1.79 2.15 2z8yP1 LYS 6 HG2 -0.06 -0.07 -0.03 -0.04 1.46 1.26 2z8yP1 LYS 6 HG3 -0.05 -0.06 0.02 -0.04 1.46 1.33 2z8yP1 LYS 6 HD2 -0.09 -0.00 -0.02 -0.04 1.69 1.53 2z8yP1 LYS 6 HD3 -0.16 0.07 -0.16 -0.04 1.68 1.39 2z8yP1 LYS 6 HE2 -0.05 -0.06 -0.11 -0.04 2.99 2.73 2z8yP1 LYS 6 HE3 -0.05 -0.03 -0.04 -0.04 2.99 2.82 2z8yP1 ILE 7 H -0.50 0.54 -0.02 -0.55 8.25 7.73 2z8yP1 ILE 7 HA -0.19 0.02 0.19 -0.75 4.18 3.45 2z8yP1 ILE 7 HB -0.24 0.06 0.08 -0.04 1.89 1.75 2z8yP1 ILE 7 HG12 -1.53 0.23 0.09 -0.04 1.49 0.24 2z8yP1 ILE 7 HG13 -2.12 -0.08 -0.17 -0.04 1.21 -1.20 2z8yP1 ILE 7 HG23 -0.38 0.01 0.09 -0.04 0.93 0.61 2z8yP1 ILE 7 HD13 -0.68 0.01 -0.04 -0.04 0.88 0.13 2z8yP1 PHE 8 H -0.41 0.18 -0.64 -0.55 8.34 6.91 2z8yP1 PHE 8 HA 0.26 0.21 0.72 -0.75 4.62 5.06 2z8yP1 PHE 8 HB2 -0.34 -0.02 0.01 -0.04 3.15 2.76 2z8yP1 PHE 8 HB3 -0.38 -0.11 0.09 -0.04 3.06 2.62 2z8yP1 PHE 8 HD2 -1.20 -0.00 -0.03 -0.04 7.28 6.00 2z8yP1 PHE 8 HE2 -1.09 0.03 -0.07 -0.04 7.38 6.20 2z8yP1 PHE 8 HZ -0.27 0.11 -0.06 -0.04 7.32 7.05 2z8yP1 GLU 9 H 0.03 0.86 -0.13 -0.55 8.60 8.82 2z8yP1 GLU 9 HA 0.11 -0.12 0.27 -0.75 4.29 3.79 2z8yP1 GLU 9 HB2 0.01 0.32 0.27 -0.04 2.09 2.66 2z8yP1 GLU 9 HB3 0.04 -0.03 0.05 -0.04 1.99 2.01 2z8yP1 GLU 9 HG2 0.03 -0.06 0.05 -0.04 2.34 2.33 2z8yP1 GLU 9 HG3 0.05 -0.09 0.10 -0.04 2.34 2.35 2z8yP1 GLY 10 H 0.10 0.03 0.16 -0.55 8.43 8.18 2z8yP1 GLY 10 HA2 0.10 -0.03 0.27 -0.51 4.01 3.84 2z8yP1 GLY 10 HA3 0.08 0.00 0.29 -0.51 4.01 3.87 2z8yP1 ALA 11 H 0.27 0.45 -0.58 -0.55 8.40 7.99 2z8yP1 ALA 11 HA 0.18 0.10 0.70 -0.75 4.34 4.56 2z8yP1 ALA 11 HB3 0.50 0.03 0.04 -0.04 1.41 1.94 2z8yP1 ILE 12 H 0.19 0.05 -0.15 -0.55 8.25 7.79 2z8yP1 ILE 12 HA 0.07 0.28 0.89 -0.75 4.18 4.67 2z8yP1 ILE 12 HB 0.12 -0.12 0.10 -0.04 1.89 1.95 2z8yP1 ILE 12 HG12 -0.05 0.12 -0.02 -0.04 1.49 1.50 2z8yP1 ILE 12 HG13 0.02 0.00 -0.11 -0.04 1.21 1.09 2z8yP1 ILE 12 HG23 0.04 0.04 -0.22 -0.04 0.93 0.74 2z8yP1 ILE 12 HD13 -0.09 -0.04 0.01 -0.04 0.88 0.72 2z8yP1 PRO 13 HA 0.04 0.02 0.40 -0.51 4.44 4.40 2z8yP1 PRO 13 HB2 0.02 0.01 -0.03 -0.04 2.28 2.24 2z8yP1 PRO 13 HB3 0.02 0.01 0.09 -0.04 2.02 2.09 2z8yP1 PRO 13 HG2 0.02 0.00 0.09 -0.04 2.03 2.10 2z8yP1 PRO 13 HG3 0.02 0.09 0.08 -0.04 2.03 2.18 2z8yP1 PRO 13 HD2 0.03 0.05 0.22 -0.04 3.68 3.94 2z8yP1 PRO 13 HD3 0.05 0.48 0.26 -0.04 3.65 4.40 2z8yP1 GLU 14 H 0.03 0.11 0.17 -0.55 8.60 8.36 2z8yP1 GLU 14 HA 0.04 -0.01 0.41 -0.75 4.29 3.97 2z8yP1 GLU 14 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 2z8yP1 GLU 14 HB3 0.02 -0.01 0.09 -0.04 1.99 2.05 2z8yP1 GLU 14 HG2 0.03 -0.01 0.19 -0.04 2.34 2.50 2z8yP1 GLU 14 HG3 0.02 0.02 0.08 -0.04 2.34 2.42 2z8yP1 GLY 15 H 0.03 0.08 0.20 -0.55 8.43 8.19 2z8yP1 GLY 15 HA2 0.02 -0.04 0.38 -0.51 4.01 3.86 2z8yP1 GLY 15 HA3 0.02 0.07 0.47 -0.51 4.01 4.05 2z8yP1 LYS 16 H 0.03 0.39 -0.20 -0.55 8.42 8.08 2z8yP1 LYS 16 HA 0.00 0.18 0.89 -0.75 4.32 4.64 2z8yP1 LYS 16 HB2 0.01 0.17 -0.07 -0.04 1.87 1.94 2z8yP1 LYS 16 HB3 0.00 -0.02 0.14 -0.04 1.79 1.87 2z8yP1 LYS 16 HG2 0.00 0.04 -0.02 -0.04 1.46 1.44 2z8yP1 LYS 16 HG3 0.01 0.06 -0.20 -0.04 1.46 1.28 2z8yP1 LYS 16 HD2 0.00 -0.04 -0.01 -0.04 1.69 1.60 2z8yP1 LYS 16 HD3 0.00 0.02 0.01 -0.04 1.68 1.67 2z8yP1 LYS 16 HE2 -0.00 0.04 0.04 -0.04 2.99 3.03 2z8yP1 LYS 16 HE3 -0.00 -0.06 0.02 -0.04 2.99 2.90 2z8yP1 GLU 17 H 0.03 -0.03 -0.12 -0.55 8.60 7.93 2z8yP1 GLU 17 HA 0.02 0.11 0.31 -0.75 4.29 3.97 2z8yP1 GLU 17 HB2 0.05 -0.03 0.07 -0.04 2.09 2.13 2z8yP1 GLU 17 HB3 0.19 -0.00 -0.04 -0.04 1.99 2.10 2z8yP1 GLU 17 HG2 0.06 -0.08 0.09 -0.04 2.34 2.37 2z8yP1 GLU 17 HG3 0.09 0.03 0.06 -0.04 2.34 2.48 2z8yP1 PRO 18 HA -0.20 0.11 0.62 -0.51 4.44 4.46 2z8yP1 PRO 18 HB2 -0.56 -0.16 0.05 -0.04 2.28 1.57 2z8yP1 PRO 18 HB3 -0.22 0.09 -0.06 -0.04 2.02 1.79 2z8yP1 PRO 18 HG2 -1.14 -0.09 -0.02 -0.04 2.03 0.74 2z8yP1 PRO 18 HG3 -0.31 0.22 -0.04 -0.04 2.03 1.86 2z8yP1 PRO 18 HD2 -0.15 -0.05 0.14 -0.04 3.68 3.58 2z8yP1 PRO 18 HD3 -0.13 0.30 0.12 -0.04 3.65 3.90 2z8yP1 VAL 19 H -0.13 0.47 -0.03 -0.55 8.24 8.00 2z8yP1 VAL 19 HA -0.02 0.03 0.09 -0.75 4.13 3.47 2z8yP1 VAL 19 HB -0.03 0.02 0.16 -0.04 2.12 2.23 2z8yP1 VAL 19 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 2z8yP1 VAL 19 HG23 0.05 0.04 -0.02 -0.04 0.95 0.99 2z8yP1 ALA 20 H -0.08 0.16 0.04 -0.55 8.40 7.98 2z8yP1 ALA 20 HA -0.05 -0.00 0.44 -0.75 4.34 3.98 2z8yP1 ALA 20 HB3 -0.03 0.06 0.01 -0.04 1.41 1.41 2z8yP1 LEU 21 H -0.27 0.45 -0.57 -0.55 8.37 7.43 2z8yP1 LEU 21 HA -0.12 0.03 0.54 -0.75 4.35 4.06 2z8yP1 LEU 21 HB2 -0.13 -0.06 0.04 -0.04 1.64 1.45 2z8yP1 LEU 21 HB3 -0.38 0.15 0.04 -0.04 1.64 1.41 2z8yP1 LEU 21 HG -0.33 -0.04 -0.27 -0.04 1.64 0.96 2z8yP1 LEU 21 HD13 -0.43 0.01 -0.03 -0.04 0.93 0.43 2z8yP1 LEU 21 HD23 -0.16 0.04 -0.35 -0.04 0.89 0.38 2z8yP1 PHE 22 H -0.38 0.53 0.05 -0.55 8.34 7.98 2z8yP1 PHE 22 HA -0.30 0.03 0.47 -0.75 4.62 4.07 2z8yP1 PHE 22 HB2 -0.12 0.15 0.14 -0.04 3.15 3.28 2z8yP1 PHE 22 HB3 -0.15 -0.07 -0.02 -0.04 3.06 2.77 2z8yP1 PHE 22 HD2 -0.17 0.02 -0.22 -0.04 7.28 6.86 2z8yP1 PHE 22 HE2 -0.05 0.03 -0.12 -0.04 7.38 7.20 2z8yP1 PHE 22 HZ -0.20 0.02 -0.05 -0.04 7.32 7.05 2z8yP1 ARG 23 H -0.02 0.64 -0.03 -0.55 8.46 8.50 2z8yP1 ARG 23 HA -0.10 0.03 0.32 -0.75 4.34 3.84 2z8yP1 ARG 23 HB2 -0.07 0.03 0.03 -0.04 1.90 1.85 2z8yP1 ARG 23 HB3 -0.10 0.07 0.05 -0.04 1.80 1.78 2z8yP1 ARG 23 HG2 -0.61 -0.04 -0.13 -0.04 1.67 0.85 2z8yP1 ARG 23 HG3 -0.15 0.01 0.01 -0.04 1.67 1.50 2z8yP1 ARG 23 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.16 2z8yP1 ARG 23 HD3 0.07 0.00 -0.03 -0.04 3.22 3.23 2z8yP1 GLU 24 H -0.08 0.44 -0.31 -0.55 8.60 8.10 2z8yP1 GLU 24 HA 0.03 -0.03 0.42 -0.75 4.29 3.95 2z8yP1 GLU 24 HB2 0.04 0.04 0.11 -0.04 2.09 2.24 2z8yP1 GLU 24 HB3 -0.02 0.17 0.12 -0.04 1.99 2.22 2z8yP1 GLU 24 HG2 0.08 -0.04 -0.13 -0.04 2.34 2.21 2z8yP1 GLU 24 HG3 0.11 -0.10 0.01 -0.04 2.34 2.33 2z8yP1 VAL 25 H -0.13 0.51 -0.24 -0.55 8.24 7.83 2z8yP1 VAL 25 HA -0.07 -0.04 0.40 -0.75 4.13 3.66 2z8yP1 VAL 25 HB -0.25 0.04 0.20 -0.04 2.12 2.07 2z8yP1 VAL 25 HG13 -0.21 0.03 -0.12 -0.04 0.97 0.63 2z8yP1 VAL 25 HG23 -0.82 0.07 -0.04 -0.04 0.95 0.12 2z8yP1 TYR 26 H 0.03 0.60 0.02 -0.55 8.29 8.39 2z8yP1 TYR 26 HA -0.05 0.01 0.43 -0.75 4.56 4.19 2z8yP1 TYR 26 HB2 -0.09 0.04 0.03 -0.04 3.06 2.99 2z8yP1 TYR 26 HB3 -0.17 0.15 0.15 -0.04 2.98 3.07 2z8yP1 TYR 26 HD2 -0.12 0.00 -0.14 -0.04 7.15 6.85 2z8yP1 TYR 26 HE2 0.05 0.03 -0.21 -0.04 6.85 6.68 2z8yP1 HIS 27 H -0.01 0.73 -0.14 -0.55 8.41 8.44 2z8yP1 HIS 27 HA -0.26 -0.01 0.40 -0.75 4.63 4.01 2z8yP1 HIS 27 HB2 0.01 0.13 0.21 -0.04 3.26 3.57 2z8yP1 HIS 27 HB3 -0.02 -0.11 0.02 -0.04 3.20 3.04 2z8yP1 HIS 27 HD2 0.04 -0.07 -0.06 -0.04 6.97 6.84 2z8yP1 HIS 27 HE1 0.13 -0.00 -0.03 -0.04 7.75 7.81 2z8yP1 GLY 28 H 0.07 0.70 -0.09 -0.55 8.43 8.56 2z8yP1 GLY 28 HA2 0.07 -0.18 0.24 -0.51 4.01 3.64 2z8yP1 GLY 28 HA3 0.07 0.21 0.22 -0.51 4.01 4.00 2z8yP1 ALA 29 H -0.00 0.54 -0.29 -0.55 8.40 8.10 2z8yP1 ALA 29 HA 0.03 0.00 0.14 -0.75 4.34 3.76 2z8yP1 ALA 29 HB3 -0.00 0.02 0.02 -0.04 1.41 1.41 2z8yP1 ILE 30 H -0.10 0.67 0.02 -0.55 8.25 8.29 2z8yP1 ILE 30 HA -0.05 0.07 0.46 -0.75 4.18 3.91 2z8yP1 ILE 30 HB -0.15 0.08 0.20 -0.04 1.89 1.97 2z8yP1 ILE 30 HG12 -0.17 0.03 0.02 -0.04 1.49 1.34 2z8yP1 ILE 30 HG13 -0.39 0.17 0.04 -0.04 1.21 0.98 2z8yP1 ILE 30 HG23 -0.07 -0.02 -0.07 -0.04 0.93 0.73 2z8yP1 ILE 30 HD13 -0.52 -0.03 -0.07 -0.04 0.88 0.22 2z8yP1 THR 31 H -0.01 0.57 -0.32 -0.55 8.28 7.97 2z8yP1 THR 31 HA 0.02 -0.04 0.02 -0.75 4.39 3.63 2z8yP1 THR 31 HB 0.05 0.05 0.15 -0.04 4.32 4.53 2z8yP1 THR 31 HG23 0.02 -0.04 -0.06 -0.04 1.22 1.11 2z8yP1 ALA 32 H 0.07 0.66 -0.14 -0.55 8.40 8.44 2z8yP1 ALA 32 HA 0.19 -0.04 0.35 -0.75 4.34 4.09 2z8yP1 ALA 32 HB3 0.09 -0.00 0.11 -0.04 1.41 1.57 2z8yP1 THR 33 H 0.05 0.69 -0.09 -0.55 8.28 8.39 2z8yP1 THR 33 HA 0.06 0.00 0.24 -0.75 4.39 3.93 2z8yP1 THR 33 HB 0.03 -0.06 0.00 -0.04 4.32 4.25 2z8yP1 THR 33 HG23 0.03 0.02 -0.14 -0.04 1.22 1.08 2z8yP1 SER 34 H 0.05 0.73 0.04 -0.55 8.46 8.74 2z8yP1 SER 34 HA 0.04 0.05 0.53 -0.75 4.49 4.36 2z8yP1 SER 34 HB2 0.06 0.10 0.01 -0.04 3.95 4.08 2z8yP1 SER 34 HB3 0.05 -0.05 -0.08 -0.04 3.93 3.81 2z8yP1 TYR 35 H 0.21 0.55 -0.11 -0.55 8.29 8.38 2z8yP1 TYR 35 HA 0.04 -0.02 0.47 -0.75 4.56 4.30 2z8yP1 TYR 35 HB2 0.07 0.06 0.14 -0.04 3.06 3.29 2z8yP1 TYR 35 HB3 0.07 0.11 0.16 -0.04 2.98 3.28 2z8yP1 TYR 35 HD2 0.09 0.00 0.02 -0.04 7.15 7.22 2z8yP1 TYR 35 HE2 0.19 -0.02 -0.02 -0.04 6.85 6.96 2z8yP1 ALA 36 H 0.08 0.60 -0.15 -0.55 8.40 8.39 2z8yP1 ALA 36 HA -0.18 -0.04 0.41 -0.75 4.34 3.78 2z8yP1 ALA 36 HB3 -0.00 0.03 0.15 -0.04 1.41 1.55 2z8yP1 GLU 37 H 0.02 0.55 -0.31 -0.55 8.60 8.31 2z8yP1 GLU 37 HA -0.00 -0.05 0.38 -0.75 4.29 3.87 2z8yP1 GLU 37 HB2 0.02 0.09 0.14 -0.04 2.09 2.29 2z8yP1 GLU 37 HB3 0.02 0.21 0.22 -0.04 1.99 2.40 2z8yP1 GLU 37 HG2 0.01 -0.06 0.01 -0.04 2.34 2.25 2z8yP1 GLU 37 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.28 2z8yP1 ILE 38 H 0.02 0.54 0.02 -0.55 8.25 8.27 2z8yP1 ILE 38 HA 0.01 0.01 0.40 -0.75 4.18 3.84 2z8yP1 ILE 38 HB 0.07 0.04 0.19 -0.04 1.89 2.15 2z8yP1 ILE 38 HG12 0.03 -0.03 0.03 -0.04 1.49 1.48 2z8yP1 ILE 38 HG13 0.04 0.01 0.03 -0.04 1.21 1.25 2z8yP1 ILE 38 HG23 0.04 -0.01 -0.11 -0.04 0.93 0.81 2z8yP1 ILE 38 HD13 0.08 -0.01 -0.06 -0.04 0.88 0.85 2z8yP1 LEU 39 H -0.11 0.54 -0.16 -0.55 8.37 8.09 2z8yP1 LEU 39 HA -0.05 0.02 0.37 -0.75 4.35 3.94 2z8yP1 LEU 39 HB2 -0.27 0.21 0.15 -0.04 1.64 1.68 2z8yP1 LEU 39 HB3 -0.12 0.01 -0.06 -0.04 1.64 1.43 2z8yP1 LEU 39 HG -0.08 0.00 0.01 -0.04 1.64 1.53 2z8yP1 LEU 39 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.82 2z8yP1 LEU 39 HD23 -0.55 -0.00 -0.03 -0.04 0.89 0.27 2z8yP1 LEU 40 H -0.05 0.69 -0.00 -0.55 8.37 8.45 2z8yP1 LEU 40 HA -0.01 0.04 0.43 -0.75 4.35 4.06 2z8yP1 LEU 40 HB2 -0.02 0.01 0.06 -0.04 1.64 1.64 2z8yP1 LEU 40 HB3 -0.01 0.07 0.14 -0.04 1.64 1.79 2z8yP1 LEU 40 HG 0.00 -0.01 -0.36 -0.04 1.64 1.23 2z8yP1 LEU 40 HD13 0.00 0.03 0.01 -0.04 0.93 0.93 2z8yP1 LEU 40 HD23 0.00 -0.02 -0.16 -0.04 0.89 0.68 2z8yP1 ASN 41 H -0.01 0.70 -0.03 -0.55 8.53 8.65 2z8yP1 ASN 41 HA 0.00 0.02 0.50 -0.75 4.76 4.53 2z8yP1 ASN 41 HB2 -0.00 0.13 0.11 -0.04 2.88 3.08 2z8yP1 ASN 41 HB3 -0.00 -0.05 0.08 -0.04 2.79 2.77 2z8yP1 ASN 41 HD21 0.00 -0.04 -0.00 -0.04 7.03 6.95 2z8yP1 ASN 41 HD22 0.00 0.03 -0.00 -0.04 7.74 7.73 2z8yP1 GLN 42 H -0.01 0.40 -0.48 -0.55 8.47 7.83 2z8yP1 GLN 42 HA -0.03 0.02 0.47 -0.75 4.36 4.07 2z8yP1 GLN 42 HB2 -0.01 -0.01 0.12 -0.04 2.15 2.20 2z8yP1 GLN 42 HB3 -0.02 0.14 0.23 -0.04 2.02 2.33 2z8yP1 GLN 42 HG2 -0.02 -0.04 0.00 -0.04 2.40 2.31 2z8yP1 GLN 42 HG3 -0.05 0.01 -0.13 -0.04 2.39 2.18 2z8yP1 GLN 42 HE21 -0.05 -0.01 -0.00 -0.04 6.97 6.86 2z8yP1 GLN 42 HE22 -0.06 0.02 -0.02 -0.04 7.69 7.59 2z8yP1 ALA 43 H 0.00 0.60 -0.05 -0.55 8.40 8.41 2z8yP1 ALA 43 HA -0.01 -0.00 0.28 -0.75 4.34 3.86 2z8yP1 ALA 43 HB3 0.12 0.03 0.12 -0.04 1.41 1.64 2z8yP1 ILE 44 H 0.02 0.35 -0.42 -0.55 8.25 7.64 2z8yP1 ILE 44 HA 0.07 0.10 0.36 -0.75 4.18 3.96 2z8yP1 ILE 44 HB 0.01 0.09 0.10 -0.04 1.89 2.05 2z8yP1 ILE 44 HG12 0.04 -0.10 -0.16 -0.04 1.49 1.23 2z8yP1 ILE 44 HG13 0.04 0.09 -0.08 -0.04 1.21 1.22 2z8yP1 ILE 44 HG23 0.02 -0.03 -0.19 -0.04 0.93 0.68 2z8yP1 ILE 44 HD13 0.01 0.02 -0.14 -0.04 0.88 0.72 2z8yP1 ARG 45 H -0.02 0.51 -0.09 -0.55 8.46 8.30 2z8yP1 ARG 45 HA -0.03 -0.01 0.40 -0.75 4.34 3.95 2z8yP1 ARG 45 HB2 -0.05 0.09 0.14 -0.04 1.90 2.04 2z8yP1 ARG 45 HB3 -0.04 -0.06 0.08 -0.04 1.80 1.73 2z8yP1 ARG 45 HG2 -0.02 -0.08 0.06 -0.04 1.67 1.59 2z8yP1 ARG 45 HG3 -0.02 0.33 0.17 -0.04 1.67 2.12 2z8yP1 ARG 45 HD2 -0.02 -0.00 0.01 -0.04 3.22 3.17 2z8yP1 ARG 45 HD3 -0.03 -0.04 0.02 -0.04 3.22 3.14 2z8yP1 THR 46 H -0.14 0.37 -0.36 -0.55 8.28 7.60 2z8yP1 THR 46 HA -0.20 0.01 0.44 -0.75 4.39 3.88 2z8yP1 THR 46 HB -0.63 0.09 0.13 -0.04 4.32 3.87 2z8yP1 THR 46 HG23 -0.68 -0.02 -0.08 -0.04 1.22 0.40 2z8yP1 TYR 47 H -0.13 0.58 0.07 -0.55 8.29 8.25 2z8yP1 TYR 47 HA -0.13 0.20 1.12 -0.75 4.56 5.00 2z8yP1 TYR 47 HB2 -0.19 0.11 0.08 -0.04 3.06 3.02 2z8yP1 TYR 47 HB3 -0.55 -0.09 0.16 -0.04 2.98 2.46 2z8yP1 TYR 47 HD2 -0.23 0.08 0.07 -0.04 7.15 7.02 2z8yP1 TYR 47 HE2 -0.10 -0.04 0.01 -0.04 6.85 6.68 2z8yP1 GLY 48 H 0.03 0.57 -0.03 -0.55 8.43 8.45 2z8yP1 GLY 48 HA2 0.03 0.08 0.42 -0.51 4.01 4.03 2z8yP1 GLY 48 HA3 0.06 0.07 0.72 -0.51 4.01 4.35 2z8yP1 PRO 49 HA 0.05 0.11 0.44 -0.51 4.44 4.53 2z8yP1 PRO 49 HB2 0.01 -0.01 0.05 -0.04 2.28 2.29 2z8yP1 PRO 49 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 2z8yP1 PRO 49 HG2 0.02 0.04 0.02 -0.04 2.03 2.07 2z8yP1 PRO 49 HG3 0.01 0.05 0.06 -0.04 2.03 2.11 2z8yP1 PRO 49 HD2 0.03 0.13 0.22 -0.04 3.68 4.02 2z8yP1 PRO 49 HD3 0.02 0.16 0.16 -0.04 3.65 3.94 2z8yP1 ASP 50 H 0.06 0.18 -0.34 -0.55 8.40 7.76 2z8yP1 ASP 50 HA 0.01 0.10 0.57 -0.75 4.63 4.55 2z8yP1 ASP 50 HB2 0.03 0.04 0.01 -0.04 2.71 2.75 2z8yP1 ASP 50 HB3 0.01 0.03 0.10 -0.04 2.70 2.79 2z8yP1 HIS 51 H 0.14 0.18 -0.37 -0.55 8.41 7.81 2z8yP1 HIS 51 HA -0.03 0.09 0.42 -0.75 4.63 4.36 2z8yP1 HIS 51 HB2 0.05 0.16 0.03 -0.04 3.26 3.47 2z8yP1 HIS 51 HB3 -0.02 -0.07 0.04 -0.04 3.20 3.10 2z8yP1 HIS 51 HD2 -0.03 -0.05 0.09 -0.04 6.97 6.93 2z8yP1 HIS 51 HE1 -0.44 0.03 0.07 -0.04 7.75 7.37 2z8yP1 PRO 52 HA -0.13 0.19 0.68 -0.51 4.44 4.68 2z8yP1 PRO 52 HB2 -0.21 -0.01 -0.02 -0.04 2.28 1.99 2z8yP1 PRO 52 HB3 -0.14 0.06 0.15 -0.04 2.02 2.05 2z8yP1 PRO 52 HG2 -0.25 -0.01 0.11 -0.04 2.03 1.84 2z8yP1 PRO 52 HG3 -0.17 0.04 0.13 -0.04 2.03 1.99 2z8yP1 PRO 52 HD2 -1.07 0.09 0.23 -0.04 3.68 2.89 2z8yP1 PRO 52 HD3 -0.35 0.10 0.29 -0.04 3.65 3.65 2z8yP1 VAL 53 H -0.11 0.56 0.04 -0.55 8.24 8.18 2z8yP1 VAL 53 HA -0.12 0.21 0.54 -0.75 4.13 4.01 2z8yP1 VAL 53 HB -0.05 0.04 -0.25 -0.04 2.12 1.83 2z8yP1 VAL 53 HG13 -0.09 -0.05 -0.42 -0.04 0.97 0.37 2z8yP1 VAL 53 HG23 -0.12 0.01 -0.15 -0.04 0.95 0.65 2z8yP1 GLY 54 H -0.21 0.35 0.04 -0.55 8.43 8.07 2z8yP1 GLY 54 HA2 -0.54 -0.05 0.01 -0.51 4.01 2.92 2z8yP1 GLY 54 HA3 -0.28 0.15 0.69 -0.51 4.01 4.05 2z8yP1 TYR 55 H -0.33 0.22 0.11 -0.55 8.29 7.74 2z8yP1 TYR 55 HA -0.58 0.28 0.86 -0.75 4.56 4.37 2z8yP1 TYR 55 HB2 -1.07 -0.01 -0.08 -0.04 3.06 1.87 2z8yP1 TYR 55 HB3 -1.63 0.12 -0.07 -0.04 2.98 1.36 2z8yP1 TYR 55 HD2 -1.15 0.14 -0.03 -0.04 7.15 6.07 2z8yP1 TYR 55 HE2 -0.28 -0.05 -0.14 -0.04 6.85 6.34 2z8yP1 PRO 56 HA -0.07 0.08 0.47 -0.51 4.44 4.41 2z8yP1 PRO 56 HB2 -0.02 0.01 -0.07 -0.04 2.28 2.16 2z8yP1 PRO 56 HB3 0.00 0.02 0.07 -0.04 2.02 2.07 2z8yP1 PRO 56 HG2 -0.49 0.08 0.05 -0.04 2.03 1.63 2z8yP1 PRO 56 HG3 -0.98 0.10 0.03 -0.04 2.03 1.14 2z8yP1 PRO 56 HD2 -0.35 0.08 0.12 -0.04 3.68 3.49 2z8yP1 PRO 56 HD3 -0.44 0.16 0.23 -0.04 3.65 3.56 2z8yP1 ASP 57 H -0.02 0.13 0.19 -0.55 8.40 8.16 2z8yP1 ASP 57 HA 0.01 -0.00 0.37 -0.75 4.63 4.26 2z8yP1 ASP 57 HB2 0.07 0.12 -0.13 -0.04 2.71 2.72 2z8yP1 ASP 57 HB3 0.04 -0.06 0.19 -0.04 2.70 2.83 2z8yP1 THR 58 H -0.06 0.32 -0.01 -0.55 8.28 7.98 2z8yP1 THR 58 HA 0.04 0.08 0.69 -0.75 4.39 4.45 2z8yP1 THR 58 HB 0.33 0.17 -0.19 -0.04 4.32 4.58 2z8yP1 THR 58 HG23 -0.12 0.04 -0.25 -0.04 1.22 0.85 2z8yP1 ALA 59 H -0.16 0.21 0.09 -0.55 8.40 8.00 2z8yP1 ALA 59 HA -0.48 0.17 0.76 -0.75 4.34 4.04 2z8yP1 ALA 59 HB3 -0.52 0.02 -0.11 -0.04 1.41 0.76 2z8yP1 TYR 60 H -0.06 -0.03 -0.04 -0.55 8.29 7.60 2z8yP1 TYR 60 HA -0.04 0.39 0.93 -0.75 4.56 5.08 2z8yP1 TYR 60 HB2 -0.02 -0.03 0.04 -0.04 3.06 3.01 2z8yP1 TYR 60 HB3 0.00 0.02 0.08 -0.04 2.98 3.05 2z8yP1 TYR 60 HD2 -0.05 -0.05 -0.04 -0.04 7.15 6.97 2z8yP1 TYR 60 HE2 -0.10 0.07 -0.10 -0.04 6.85 6.68 2z8yP1 TYR 61 H -0.53 0.07 -0.30 -0.55 8.29 6.98 2z8yP1 TYR 61 HA -0.10 0.12 0.25 -0.75 4.56 4.08 2z8yP1 TYR 61 HB2 -0.03 0.18 -0.22 -0.04 3.06 2.95 2z8yP1 TYR 61 HB3 -0.08 -0.05 0.13 -0.04 2.98 2.95 2z8yP1 TYR 61 HD2 -0.07 0.15 -0.27 -0.04 7.15 6.93 2z8yP1 TYR 61 HE2 -0.11 0.05 -0.07 -0.04 6.85 6.68 2z8yP1 LEU 62 H 0.07 0.08 0.13 -0.55 8.37 8.11 2z8yP1 LEU 62 HA 0.06 0.22 0.82 -0.75 4.35 4.70 2z8yP1 LEU 62 HB2 -0.07 -0.11 0.17 -0.04 1.64 1.59 2z8yP1 LEU 62 HB3 -0.04 -0.01 0.04 -0.04 1.64 1.59 2z8yP1 LEU 62 HG -0.10 -0.02 -0.04 -0.04 1.64 1.45 2z8yP1 LEU 62 HD13 -0.14 0.02 -0.12 -0.04 0.93 0.64 2z8yP1 LEU 62 HD23 -0.41 0.03 -0.27 -0.04 0.89 0.20 2z8yP1 PRO 63 HA 0.08 0.19 0.13 -0.51 4.44 4.33 2z8yP1 PRO 63 HB2 -0.01 -0.01 0.02 -0.04 2.28 2.25 2z8yP1 PRO 63 HB3 -0.01 0.07 0.02 -0.04 2.02 2.07 2z8yP1 PRO 63 HG2 0.31 0.07 -0.04 -0.04 2.03 2.33 2z8yP1 PRO 63 HG3 0.22 -0.05 -0.15 -0.04 2.03 2.02 2z8yP1 PRO 63 HD2 0.25 -0.00 0.06 -0.04 3.68 3.94 2z8yP1 PRO 63 HD3 0.20 0.37 -0.02 -0.04 3.65 4.16 2z8yP1 VAL 64 H -0.07 0.10 -0.23 -0.55 8.24 7.48 2z8yP1 VAL 64 HA -0.24 0.17 0.38 -0.75 4.13 3.69 2z8yP1 VAL 64 HB -0.16 0.07 -0.04 -0.04 2.12 1.95 2z8yP1 VAL 64 HG13 -0.17 -0.01 -0.04 -0.04 0.97 0.71 2z8yP1 VAL 64 HG23 -0.08 -0.01 -0.23 -0.04 0.95 0.59 2z8yP1 ILE 65 H -0.18 0.39 -0.27 -0.55 8.25 7.64 2z8yP1 ILE 65 HA -0.51 0.04 0.29 -0.75 4.18 3.25 2z8yP1 ILE 65 HB -0.16 0.12 0.11 -0.04 1.89 1.93 2z8yP1 ILE 65 HG12 -0.60 0.01 -0.06 -0.04 1.49 0.80 2z8yP1 ILE 65 HG13 -0.90 -0.06 -0.15 -0.04 1.21 0.05 2z8yP1 ILE 65 HG23 -0.02 0.02 -0.16 -0.04 0.93 0.73 2z8yP1 ILE 65 HD13 -0.14 0.00 -0.07 -0.04 0.88 0.63 2z8yP1 ARG 66 H -0.02 0.43 -0.08 -0.55 8.46 8.23 2z8yP1 ARG 66 HA 0.03 0.11 0.14 -0.75 4.34 3.86 2z8yP1 ARG 66 HB2 0.13 0.01 -0.04 -0.04 1.90 1.96 2z8yP1 ARG 66 HB3 0.13 0.04 -0.00 -0.04 1.80 1.93 2z8yP1 ARG 66 HG2 0.23 -0.00 -0.16 -0.04 1.67 1.70 2z8yP1 ARG 66 HG3 0.10 -0.04 -0.08 -0.04 1.67 1.62 2z8yP1 ARG 66 HD2 0.42 -0.10 -0.17 -0.04 3.22 3.34 2z8yP1 ARG 66 HD3 0.29 0.04 -0.06 -0.04 3.22 3.45 2z8yP1 CYS 67 H -0.05 0.48 -0.36 -0.55 8.50 8.03 2z8yP1 CYS 67 HA 0.01 0.10 0.31 -0.75 4.58 4.23 2z8yP1 CYS 67 HB2 -0.21 0.14 0.07 -0.04 2.97 2.93 2z8yP1 CYS 67 HB3 -0.43 0.02 0.09 -0.04 2.97 2.60 2z8yP1 PHE 68 H 0.15 0.36 -0.11 -0.55 8.34 8.19 2z8yP1 PHE 68 HA 0.10 0.12 0.33 -0.75 4.62 4.42 2z8yP1 PHE 68 HB2 0.36 0.08 0.08 -0.04 3.15 3.62 2z8yP1 PHE 68 HB3 0.23 -0.04 -0.05 -0.04 3.06 3.16 2z8yP1 PHE 68 HD2 0.25 -0.01 -0.16 -0.04 7.28 7.31 2z8yP1 PHE 68 HE2 0.21 0.02 -0.13 -0.04 7.38 7.44 2z8yP1 PHE 68 HZ 0.15 0.07 -0.04 -0.04 7.32 7.45 2z8yP1 SER 69 H 0.27 0.37 0.08 -0.55 8.46 8.63 2z8yP1 SER 69 HA 0.14 0.25 0.70 -0.75 4.49 4.82 2z8yP1 SER 69 HB2 0.12 -0.03 0.21 -0.04 3.95 4.21 2z8yP1 SER 69 HB3 0.17 0.03 0.08 -0.04 3.93 4.18 2z8yP1 GLY 70 H 0.11 0.32 -0.08 -0.55 8.43 8.23 2z8yP1 GLY 70 HA2 0.05 0.29 0.15 -0.51 4.01 3.99 2z8yP1 GLY 70 HA3 0.04 0.11 -0.12 -0.51 4.01 3.53 2z8yP1 GLU 71 H 0.03 0.03 -0.46 -0.55 8.60 7.65 2z8yP1 GLU 71 HA -0.07 0.08 0.25 -0.75 4.29 3.80 2z8yP1 GLU 71 HB2 -0.01 -0.09 -0.09 -0.04 2.09 1.86 2z8yP1 GLU 71 HB3 -0.05 -0.03 -0.09 -0.04 1.99 1.78 2z8yP1 GLU 71 HG2 0.01 -0.01 -0.03 -0.04 2.34 2.26 2z8yP1 GLU 71 HG3 -0.00 0.07 -0.04 -0.04 2.34 2.33 2z8yP1 GLU 72 H -0.21 0.16 0.01 -0.55 8.60 8.02 2z8yP1 GLU 72 HA -0.72 0.18 0.75 -0.75 4.29 3.75 2z8yP1 GLU 72 HB2 -0.52 -0.06 0.20 -0.04 2.09 1.66 2z8yP1 GLU 72 HB3 -1.81 0.04 0.02 -0.04 1.99 0.20 2z8yP1 GLU 72 HG2 -0.38 0.16 -0.11 -0.04 2.34 1.97 2z8yP1 GLU 72 HG3 -0.26 -0.06 0.03 -0.04 2.34 2.01 2z8yP1 VAL 73 H -0.12 0.20 -0.18 -0.55 8.24 7.58 2z8yP1 VAL 73 HA -0.08 -0.01 0.51 -0.75 4.13 3.80 2z8yP1 VAL 73 HB -0.03 -0.12 0.08 -0.04 2.12 2.01 2z8yP1 VAL 73 HG13 -0.06 0.02 -0.19 -0.04 0.97 0.70 2z8yP1 VAL 73 HG23 -0.05 0.04 -0.15 -0.04 0.95 0.74 2z8yP1 LYS 74 H -0.05 0.04 0.28 -0.55 8.42 8.14 2z8yP1 LYS 74 HA 0.02 0.31 1.05 -0.75 4.32 4.95 2z8yP1 LYS 74 HB2 -0.03 -0.02 0.00 -0.04 1.87 1.78 2z8yP1 LYS 74 HB3 -0.01 -0.01 0.12 -0.04 1.79 1.86 2z8yP1 LYS 74 HG2 0.17 0.04 -0.26 -0.04 1.46 1.37 2z8yP1 LYS 74 HG3 -0.06 0.18 -0.15 -0.04 1.46 1.38 2z8yP1 LYS 74 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.60 2z8yP1 LYS 74 HD3 0.08 -0.01 -0.03 -0.04 1.68 1.68 2z8yP1 LYS 74 HE2 -0.12 0.06 -0.03 -0.04 2.99 2.86 2z8yP1 LYS 74 HE3 -0.06 -0.03 0.00 -0.04 2.99 2.86 2z8yP1 LYS 75 H -0.04 0.00 0.20 -0.55 8.42 8.02 2z8yP1 LYS 75 HA -0.06 0.24 0.91 -0.75 4.32 4.65 2z8yP1 LYS 75 HB2 -0.02 0.14 -0.25 -0.04 1.87 1.69 2z8yP1 LYS 75 HB3 -0.04 0.06 -0.40 -0.04 1.79 1.36 2z8yP1 LYS 75 HG2 -0.03 -0.18 -0.02 -0.04 1.46 1.20 2z8yP1 LYS 75 HG3 -0.01 -0.07 -0.21 -0.04 1.46 1.13 2z8yP1 LYS 75 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 2z8yP1 LYS 75 HD3 -0.03 0.02 -0.08 -0.04 1.68 1.56 2z8yP1 LYS 75 HE2 -0.03 -0.04 -0.08 -0.04 2.99 2.80 2z8yP1 LYS 75 HE3 -0.01 -0.03 -0.13 -0.04 2.99 2.78 2z8yP1 LEU 76 H 0.01 0.63 0.07 -0.55 8.37 8.54 2z8yP1 LEU 76 HA -0.00 -0.00 0.04 -0.75 4.35 3.63 2z8yP1 LEU 76 HB2 0.07 0.04 0.12 -0.04 1.64 1.82 2z8yP1 LEU 76 HB3 0.05 -0.07 -0.00 -0.04 1.64 1.57 2z8yP1 LEU 76 HG 0.10 0.22 -0.07 -0.04 1.64 1.84 2z8yP1 LEU 76 HD13 0.15 0.02 -0.15 -0.04 0.93 0.91 2z8yP1 LEU 76 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.73 2z8yP1 GLY 77 H 0.01 0.60 -0.09 -0.55 8.43 8.40 2z8yP1 GLY 77 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 2z8yP1 GLY 77 HA3 0.00 0.04 0.33 -0.51 4.01 3.87 2z8yP1 ASP 78 H -0.02 0.64 -0.28 -0.55 8.40 8.20 2z8yP1 ASP 78 HA -0.02 0.09 0.62 -0.75 4.63 4.57 2z8yP1 ASP 78 HB2 -0.04 0.06 0.10 -0.04 2.71 2.80 2z8yP1 ASP 78 HB3 -0.04 -0.04 0.05 -0.04 2.70 2.63 2z8yP1 LEU 79 H -0.01 0.49 -0.21 -0.55 8.37 8.10 2z8yP1 LEU 79 HA 0.01 0.03 0.25 -0.75 4.35 3.88 2z8yP1 LEU 79 HB2 -0.01 0.29 0.14 -0.04 1.64 2.03 2z8yP1 LEU 79 HB3 0.00 -0.09 -0.05 -0.04 1.64 1.46 2z8yP1 LEU 79 HG -0.03 -0.04 -0.16 -0.04 1.64 1.37 2z8yP1 LEU 79 HD13 -0.04 0.01 -0.09 -0.04 0.93 0.77 2z8yP1 LEU 79 HD23 -0.02 -0.02 -0.10 -0.04 0.89 0.70 2z8yP1 PRO 80 HA 0.01 -0.01 0.24 -0.51 4.44 4.18 2z8yP1 PRO 80 HB2 0.00 0.08 0.06 -0.04 2.28 2.38 2z8yP1 PRO 80 HB3 0.01 -0.01 0.05 -0.04 2.02 2.02 2z8yP1 PRO 80 HG2 0.01 0.04 0.03 -0.04 2.03 2.06 2z8yP1 PRO 80 HG3 0.01 0.00 0.02 -0.04 2.03 2.01 2z8yP1 PRO 80 HD2 0.00 0.27 -0.14 -0.04 3.68 3.76 2z8yP1 PRO 80 HD3 0.00 0.37 0.24 -0.04 3.65 4.22 2z8yP1 PRO 81 HA 0.01 0.01 0.35 -0.51 4.44 4.30 2z8yP1 PRO 81 HB2 0.01 0.08 -0.05 -0.04 2.28 2.28 2z8yP1 PRO 81 HB3 0.00 0.00 0.03 -0.04 2.02 2.01 2z8yP1 PRO 81 HG2 -0.00 0.10 -0.00 -0.04 2.03 2.09 2z8yP1 PRO 81 HG3 0.00 -0.01 0.01 -0.04 2.03 1.99 2z8yP1 PRO 81 HD2 0.00 0.28 -0.56 -0.04 3.68 3.36 2z8yP1 PRO 81 HD3 0.00 0.11 -0.06 -0.04 3.65 3.66 2z8yP1 ILE 82 H 0.03 0.33 -0.14 -0.55 8.25 7.92 2z8yP1 ILE 82 HA 0.06 0.03 0.51 -0.75 4.18 4.03 2z8yP1 ILE 82 HB 0.06 0.12 0.17 -0.04 1.89 2.21 2z8yP1 ILE 82 HG12 0.09 -0.03 0.02 -0.04 1.49 1.52 2z8yP1 ILE 82 HG13 0.04 0.00 0.04 -0.04 1.21 1.25 2z8yP1 ILE 82 HG23 0.24 -0.03 -0.12 -0.04 0.93 0.98 2z8yP1 ILE 82 HD13 0.01 0.02 -0.08 -0.04 0.88 0.79 2z8yP1 LEU 83 H 0.04 0.73 -0.08 -0.55 8.37 8.52 2z8yP1 LEU 83 HA 0.09 0.01 0.29 -0.75 4.35 3.98 2z8yP1 LEU 83 HB2 0.05 -0.02 -0.02 -0.04 1.64 1.60 2z8yP1 LEU 83 HB3 0.03 0.09 0.02 -0.04 1.64 1.74 2z8yP1 LEU 83 HG 0.03 -0.03 -0.18 -0.04 1.64 1.41 2z8yP1 LEU 83 HD13 0.06 -0.02 -0.00 -0.04 0.93 0.93 2z8yP1 LEU 83 HD23 0.02 0.02 -0.14 -0.04 0.89 0.75 2z8yP1 ASN 84 H 0.02 0.59 -0.17 -0.55 8.53 8.42 2z8yP1 ASN 84 HA 0.00 -0.03 0.39 -0.75 4.76 4.37 2z8yP1 ASN 84 HB2 0.00 0.13 0.16 -0.04 2.88 3.13 2z8yP1 ASN 84 HB3 -0.00 -0.02 -0.00 -0.04 2.79 2.72 2z8yP1 ASN 84 HD21 0.00 -0.05 -0.05 -0.04 7.03 6.90 2z8yP1 ASN 84 HD22 0.00 0.01 -0.11 -0.04 7.74 7.60 2z8yP1 ARG 85 H -0.01 0.47 -0.16 -0.55 8.46 8.21 2z8yP1 ARG 85 HA -0.03 -0.01 0.31 -0.75 4.34 3.85 2z8yP1 ARG 85 HB2 -0.04 0.15 0.16 -0.04 1.90 2.13 2z8yP1 ARG 85 HB3 -0.07 -0.03 0.01 -0.04 1.80 1.66 2z8yP1 ARG 85 HG2 -0.02 -0.05 0.05 -0.04 1.67 1.60 2z8yP1 ARG 85 HG3 -0.01 0.10 0.12 -0.04 1.67 1.84 2z8yP1 ARG 85 HD2 -0.00 0.01 0.05 -0.04 3.22 3.24 2z8yP1 ARG 85 HD3 -0.02 -0.02 0.02 -0.04 3.22 3.16 2z8yP1 LYS 86 H -0.05 0.35 -0.35 -0.55 8.42 7.82 2z8yP1 LYS 86 HA -0.14 0.04 0.38 -0.75 4.32 3.84 2z8yP1 LYS 86 HB2 -0.03 0.10 0.16 -0.04 1.87 2.06 2z8yP1 LYS 86 HB3 -0.10 -0.10 0.09 -0.04 1.79 1.63 2z8yP1 LYS 86 HG2 -0.25 0.11 0.01 -0.04 1.46 1.29 2z8yP1 LYS 86 HG3 -0.50 -0.05 -0.01 -0.04 1.46 0.86 2z8yP1 LYS 86 HD2 -0.36 -0.04 -0.06 -0.04 1.69 1.19 2z8yP1 LYS 86 HD3 -0.28 0.01 -0.21 -0.04 1.68 1.17 2z8yP1 LYS 86 HE2 -1.84 -0.02 -0.11 -0.04 2.99 0.98 2z8yP1 LYS 86 HE3 -0.62 -0.00 -0.12 -0.04 2.99 2.21 2z8yP1 ARG 87 H -0.01 0.66 0.03 -0.55 8.46 8.59 2z8yP1 ARG 87 HA -0.01 -0.05 0.27 -0.75 4.34 3.80 2z8yP1 ARG 87 HB2 0.01 -0.01 0.05 -0.04 1.90 1.91 2z8yP1 ARG 87 HB3 -0.00 0.09 0.14 -0.04 1.80 1.99 2z8yP1 ARG 87 HG2 0.00 0.02 -0.23 -0.04 1.67 1.43 2z8yP1 ARG 87 HG3 0.01 -0.07 -0.02 -0.04 1.67 1.54 2z8yP1 ARG 87 HD2 0.01 -0.00 -0.06 -0.04 3.22 3.12 2z8yP1 ARG 87 HD3 0.00 0.02 -0.04 -0.04 3.22 3.16 2z8yP1 ALA 88 H -0.02 0.60 -0.24 -0.55 8.40 8.19 2z8yP1 ALA 88 HA -0.01 0.02 0.51 -0.75 4.34 4.10 2z8yP1 ALA 88 HB3 -0.02 -0.01 0.05 -0.04 1.41 1.39 2z8yP1 GLN 89 H -0.05 0.40 -0.29 -0.55 8.47 7.99 2z8yP1 GLN 89 HA -0.05 0.10 0.73 -0.75 4.36 4.38 2z8yP1 GLN 89 HB2 -0.09 -0.11 0.16 -0.04 2.15 2.07 2z8yP1 GLN 89 HB3 -0.09 0.05 0.09 -0.04 2.02 2.03 2z8yP1 GLN 89 HG2 -0.12 0.18 0.14 -0.04 2.40 2.56 2z8yP1 GLN 89 HG3 -0.12 -0.06 -0.12 -0.04 2.39 2.05 2z8yP1 GLN 89 HE21 -0.30 -0.04 0.03 -0.04 6.97 6.62 2z8yP1 GLN 89 HE22 -0.25 0.22 0.10 -0.04 7.69 7.72 2z8yP1 VAL 90 H -0.01 0.41 -0.60 -0.55 8.24 7.50 2z8yP1 VAL 90 HA 0.00 0.05 0.76 -0.75 4.13 4.19 2z8yP1 VAL 90 HB 0.02 0.16 0.14 -0.04 2.12 2.40 2z8yP1 VAL 90 HG13 0.09 -0.06 -0.14 -0.04 0.97 0.82 2z8yP1 VAL 90 HG23 -0.02 0.05 -0.13 -0.04 0.95 0.80 2z8yP1 SER 91 H 0.02 0.17 0.08 -0.55 8.46 8.18 2z8yP1 SER 91 HA 0.01 0.26 0.57 -0.75 4.49 4.58 2z8yP1 SER 91 HB2 -0.05 0.11 -0.09 -0.04 3.95 3.88 2z8yP1 SER 91 HB3 -0.09 0.02 0.11 -0.04 3.93 3.93 2z8yP1 PRO 92 HA -1.15 0.12 0.34 -0.51 4.44 3.25 2z8yP1 PRO 92 HB2 -0.18 -0.02 0.09 -0.04 2.28 2.13 2z8yP1 PRO 92 HB3 -0.10 0.03 0.05 -0.04 2.02 1.96 2z8yP1 PRO 92 HG2 -0.06 0.01 -0.06 -0.04 2.03 1.87 2z8yP1 PRO 92 HG3 0.02 0.05 0.04 -0.04 2.03 2.10 2z8yP1 PRO 92 HD2 -0.05 0.07 0.11 -0.04 3.68 3.77 2z8yP1 PRO 92 HD3 0.03 0.24 0.21 -0.04 3.65 4.08 2z8yP1 VAL 93 H -0.16 0.08 -0.71 -0.55 8.24 6.90 2z8yP1 VAL 93 HA -0.12 0.11 0.69 -0.75 4.13 4.05 2z8yP1 VAL 93 HB -0.11 -0.01 0.07 -0.04 2.12 2.03 2z8yP1 VAL 93 HG13 -0.08 -0.01 -0.22 -0.04 0.97 0.62 2z8yP1 VAL 93 HG23 -0.07 0.01 -0.04 -0.04 0.95 0.82 2z8yP1 LEU 94 H -0.12 0.17 0.05 -0.55 8.37 7.93 2z8yP1 LEU 94 HA -0.21 0.14 0.45 -0.75 4.35 3.97 2z8yP1 LEU 94 HB2 -0.01 -0.02 0.14 -0.04 1.64 1.71 2z8yP1 LEU 94 HB3 0.10 -0.04 -0.04 -0.04 1.64 1.61 2z8yP1 LEU 94 HG -0.20 0.19 -0.06 -0.04 1.64 1.53 2z8yP1 LEU 94 HD13 -0.08 -0.02 -0.04 -0.04 0.93 0.75 2z8yP1 LEU 94 HD23 -0.32 0.01 -0.32 -0.04 0.89 0.22 2z8yP1 ASN 95 H -0.43 0.33 0.22 -0.55 8.53 8.10 2z8yP1 ASN 95 HA -0.50 0.11 0.30 -0.75 4.76 3.91 2z8yP1 ASN 95 HB2 -0.11 -0.06 0.14 -0.04 2.88 2.81 2z8yP1 ASN 95 HB3 -0.11 0.16 -0.04 -0.04 2.79 2.75 2z8yP1 ASN 95 HD21 -0.10 0.05 -0.09 -0.04 7.03 6.85 2z8yP1 ASN 95 HD22 -0.08 0.06 -0.13 -0.04 7.74 7.54 2z8yP1 PHE 96 H -0.11 0.21 0.13 -0.55 8.34 8.02 2z8yP1 PHE 96 HA -0.44 0.09 0.19 -0.75 4.62 3.70 2z8yP1 PHE 96 HB2 0.05 0.00 0.17 -0.04 3.15 3.33 2z8yP1 PHE 96 HB3 -0.10 0.01 0.12 -0.04 3.06 3.06 2z8yP1 PHE 96 HD2 0.08 -0.07 0.03 -0.04 7.28 7.28 2z8yP1 PHE 96 HE2 -0.00 0.07 -0.05 -0.04 7.38 7.36 2z8yP1 PHE 96 HZ -0.40 0.10 -0.06 -0.04 7.32 6.91 2z8yP1 GLU 97 H -0.09 0.09 -0.08 -0.55 8.60 7.97 2z8yP1 GLU 97 HA -0.31 0.14 0.20 -0.75 4.29 3.57 2z8yP1 GLU 97 HB2 -0.13 0.05 0.11 -0.04 2.09 2.08 2z8yP1 GLU 97 HB3 -0.11 -0.07 0.09 -0.04 1.99 1.85 2z8yP1 GLU 97 HG2 -0.11 0.01 -0.17 -0.04 2.34 2.03 2z8yP1 GLU 97 HG3 -0.11 0.06 0.04 -0.04 2.34 2.29 2z8yP1 ASN 98 H -0.20 0.04 -0.26 -0.55 8.53 7.57 2z8yP1 ASN 98 HA -0.13 0.12 0.65 -0.75 4.76 4.64 2z8yP1 ASN 98 HB2 -0.23 -0.08 0.17 -0.04 2.88 2.71 2z8yP1 ASN 98 HB3 -0.16 0.04 0.09 -0.04 2.79 2.73 2z8yP1 ASN 98 HD21 -0.10 -0.05 -0.01 -0.04 7.03 6.84 2z8yP1 ASN 98 HD22 -0.14 0.41 0.06 -0.04 7.74 8.03 2z8yP1 ALA 99 H -0.31 0.62 0.03 -0.55 8.40 8.18 2z8yP1 ALA 99 HA -0.20 -0.03 0.48 -0.75 4.34 3.84 2z8yP1 ALA 99 HB3 -0.23 0.02 0.07 -0.04 1.41 1.23 2z8yP1 ARG 100 H -0.07 0.44 -0.35 -0.55 8.46 7.93 2z8yP1 ARG 100 HA 0.15 0.11 0.45 -0.75 4.34 4.30 2z8yP1 ARG 100 HB2 -0.17 0.11 0.12 -0.04 1.90 1.91 2z8yP1 ARG 100 HB3 -0.03 0.02 -0.02 -0.04 1.80 1.74 2z8yP1 ARG 100 HG2 -0.22 -0.03 -0.12 -0.04 1.67 1.26 2z8yP1 ARG 100 HG3 -0.49 0.04 -0.11 -0.04 1.67 1.07 2z8yP1 ARG 100 HD2 -1.22 0.11 -0.15 -0.04 3.22 1.92 2z8yP1 ARG 100 HD3 -2.23 0.01 -0.13 -0.04 3.22 0.83 2z8yP1 LEU 101 H -0.11 0.52 0.09 -0.55 8.37 8.33 2z8yP1 LEU 101 HA -0.36 0.02 0.60 -0.75 4.35 3.86 2z8yP1 LEU 101 HB2 -0.13 0.06 0.32 -0.04 1.64 1.85 2z8yP1 LEU 101 HB3 -0.15 0.09 0.11 -0.04 1.64 1.65 2z8yP1 LEU 101 HG -0.07 0.07 0.13 -0.04 1.64 1.72 2z8yP1 LEU 101 HD13 -0.09 -0.02 0.03 -0.04 0.93 0.81 2z8yP1 LEU 101 HD23 -0.13 -0.01 0.06 -0.04 0.89 0.78 2z8yP1 ALA 102 H -0.11 0.35 -0.54 -0.55 8.40 7.55 2z8yP1 ALA 102 HA -0.08 0.08 0.23 -0.75 4.34 3.81 2z8yP1 ALA 102 HB3 -0.05 0.01 0.05 -0.04 1.41 1.38 2z8yP1 GLY 103 H -0.09 0.28 -0.44 -0.55 8.43 7.63 2z8yP1 GLY 103 HA2 -0.00 0.15 0.40 -0.51 4.01 4.05 2z8yP1 GLY 103 HA3 -0.06 0.07 -0.13 -0.51 4.01 3.38 2z8yP1 GLU 104 H -0.48 0.41 -0.26 -0.55 8.60 7.73 2z8yP1 GLU 104 HA -0.44 0.03 0.40 -0.75 4.29 3.53 2z8yP1 GLU 104 HB2 -2.15 0.07 0.08 -0.04 2.09 0.06 2z8yP1 GLU 104 HB3 -0.82 0.10 0.17 -0.04 1.99 1.40 2z8yP1 GLU 104 HG2 -0.27 -0.09 -0.25 -0.04 2.34 1.69 2z8yP1 GLU 104 HG3 -0.04 0.00 -0.01 -0.04 2.34 2.25 2z8yP1 ALA 105 H -0.23 0.66 -0.13 -0.55 8.40 8.17 2z8yP1 ALA 105 HA -0.11 -0.03 0.38 -0.75 4.34 3.82 2z8yP1 ALA 105 HB3 -0.08 0.04 0.01 -0.04 1.41 1.34 2z8yP1 THR 106 H 0.02 0.46 -0.49 -0.55 8.28 7.71 2z8yP1 THR 106 HA 0.11 -0.06 0.32 -0.75 4.39 4.01 2z8yP1 THR 106 HB 0.17 0.19 -0.07 -0.04 4.32 4.56 2z8yP1 THR 106 HG23 0.13 -0.06 -0.11 -0.04 1.22 1.14 2z8yP1 TRP 107 H 0.33 0.70 -0.03 -0.55 7.97 8.43 2z8yP1 TRP 107 HA 0.04 -0.07 0.62 -0.75 4.62 4.45 2z8yP1 TRP 107 HB2 0.16 0.21 0.19 -0.04 3.23 3.75 2z8yP1 TRP 107 HB3 0.09 -0.09 -0.03 -0.04 3.23 3.16 2z8yP1 TRP 107 HD1 0.06 -0.11 -0.06 -0.04 7.22 7.07 2z8yP1 TRP 107 HE1 0.09 0.20 0.02 -0.04 10.20 10.47 2z8yP1 TRP 107 HE3 0.13 -0.02 -0.05 -0.04 7.59 7.62 2z8yP1 TRP 107 HZ2 0.20 -0.02 -0.25 -0.04 7.44 7.33 2z8yP1 TRP 107 HZ3 0.13 0.05 -0.05 -0.04 7.13 7.22 2z8yP1 TRP 107 HH2 0.26 0.07 -0.10 -0.04 7.19 7.38 2z8yP1 TYR 108 H 0.48 0.69 -0.17 -0.55 8.29 8.73 2z8yP1 TYR 108 HA 0.09 -0.05 0.35 -0.75 4.56 4.20 2z8yP1 TYR 108 HB2 0.05 0.13 0.14 -0.04 3.06 3.34 2z8yP1 TYR 108 HB3 0.04 -0.06 -0.05 -0.04 2.98 2.87 2z8yP1 TYR 108 HD2 0.11 0.05 -0.10 -0.04 7.15 7.16 2z8yP1 TYR 108 HE2 0.20 0.02 -0.07 -0.04 6.85 6.96 2z8yP1 ALA 109 H 0.17 0.68 -0.09 -0.55 8.40 8.61 2z8yP1 ALA 109 HA 0.07 -0.01 0.27 -0.75 4.34 3.91 2z8yP1 ALA 109 HB3 0.08 0.05 -0.02 -0.04 1.41 1.48 2z8yP1 ALA 110 H 0.07 0.84 -0.06 -0.55 8.40 8.72 2z8yP1 ALA 110 HA -0.07 -0.06 0.37 -0.75 4.34 3.82 2z8yP1 ALA 110 HB3 -0.09 0.02 0.12 -0.04 1.41 1.42 2z8yP1 GLU 111 H -0.00 0.68 -0.24 -0.55 8.60 8.49 2z8yP1 GLU 111 HA -0.03 -0.06 0.29 -0.75 4.29 3.74 2z8yP1 GLU 111 HB2 -0.08 0.02 0.09 -0.04 2.09 2.08 2z8yP1 GLU 111 HB3 -0.07 0.24 0.14 -0.04 1.99 2.26 2z8yP1 GLU 111 HG2 -0.13 -0.08 -0.08 -0.04 2.34 2.02 2z8yP1 GLU 111 HG3 -0.03 0.02 -0.15 -0.04 2.34 2.14 2z8yP1 ILE 112 H -0.00 0.52 -0.33 -0.55 8.25 7.88 2z8yP1 ILE 112 HA -0.05 -0.00 0.26 -0.75 4.18 3.63 2z8yP1 ILE 112 HB 0.01 0.09 0.14 -0.04 1.89 2.09 2z8yP1 ILE 112 HG12 -0.03 -0.05 -0.06 -0.04 1.49 1.31 2z8yP1 ILE 112 HG13 -0.01 0.08 -0.05 -0.04 1.21 1.19 2z8yP1 ILE 112 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.72 2z8yP1 ILE 112 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 2z8yP1 ILE 113 H -0.03 0.70 0.05 -0.55 8.25 8.42 2z8yP1 ILE 113 HA -0.06 0.01 0.43 -0.75 4.18 3.81 2z8yP1 ILE 113 HB -0.06 0.09 0.21 -0.04 1.89 2.09 2z8yP1 ILE 113 HG12 -0.29 -0.03 -0.01 -0.04 1.49 1.12 2z8yP1 ILE 113 HG13 -0.10 0.06 0.11 -0.04 1.21 1.25 2z8yP1 ILE 113 HG23 -0.01 -0.03 -0.06 -0.04 0.93 0.78 2z8yP1 ILE 113 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.74 2z8yP1 GLU 114 H 0.02 0.69 -0.22 -0.55 8.60 8.55 2z8yP1 GLU 114 HA 0.20 -0.03 0.40 -0.75 4.29 4.11 2z8yP1 GLU 114 HB2 0.15 0.14 0.09 -0.04 2.09 2.43 2z8yP1 GLU 114 HB3 0.49 -0.04 -0.04 -0.04 1.99 2.37 2z8yP1 GLU 114 HG2 -0.03 0.01 -0.10 -0.04 2.34 2.18 2z8yP1 GLU 114 HG3 -0.25 0.01 -0.15 -0.04 2.34 1.91 2z8yP1 ALA 115 H 0.01 0.60 -0.06 -0.55 8.40 8.40 2z8yP1 ALA 115 HA -0.44 0.03 0.36 -0.75 4.34 3.53 2z8yP1 ALA 115 HB3 -0.28 0.04 0.05 -0.04 1.41 1.18 2z8yP1 LEU 116 H 0.01 0.34 -0.58 -0.55 8.37 7.59 2z8yP1 LEU 116 HA 0.00 0.07 0.26 -0.75 4.35 3.93 2z8yP1 LEU 116 HB2 -0.01 0.06 0.16 -0.04 1.64 1.82 2z8yP1 LEU 116 HB3 0.02 -0.04 0.00 -0.04 1.64 1.58 2z8yP1 LEU 116 HG -0.03 0.16 -0.04 -0.04 1.64 1.69 2z8yP1 LEU 116 HD13 -0.04 -0.03 -0.17 -0.04 0.93 0.65 2z8yP1 LEU 116 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 2z8yP1 ARG 117 H 0.09 0.45 0.05 -0.55 8.46 8.50 2z8yP1 ARG 117 HA 0.05 0.01 0.44 -0.75 4.34 4.08 2z8yP1 ARG 117 HB2 0.19 0.13 0.20 -0.04 1.90 2.37 2z8yP1 ARG 117 HB3 0.04 -0.05 0.07 -0.04 1.80 1.82 2z8yP1 ARG 117 HG2 0.08 -0.04 0.05 -0.04 1.67 1.73 2z8yP1 ARG 117 HG3 0.09 0.22 0.13 -0.04 1.67 2.06 2z8yP1 ARG 117 HD2 0.13 -0.10 -0.05 -0.04 3.22 3.16 2z8yP1 ARG 117 HD3 0.16 -0.01 -0.02 -0.04 3.22 3.31 2z8yP1 TYR 118 H 0.26 0.53 -0.34 -0.55 8.29 8.20 2z8yP1 TYR 118 HA 0.10 -0.08 0.25 -0.75 4.56 4.08 2z8yP1 TYR 118 HB2 -0.06 0.09 0.17 -0.04 3.06 3.22 2z8yP1 TYR 118 HB3 -0.09 0.15 0.18 -0.04 2.98 3.19 2z8yP1 TYR 118 HD2 -0.04 0.14 0.06 -0.04 7.15 7.27 2z8yP1 TYR 118 HE2 -0.22 -0.03 0.06 -0.04 6.85 6.62 2z8yP1 LEU 119 H 0.05 0.45 -0.59 -0.55 8.37 7.73 2z8yP1 LEU 119 HA 0.01 0.02 0.49 -0.75 4.35 4.11 2z8yP1 LEU 119 HB2 0.02 0.06 0.09 -0.04 1.64 1.77 2z8yP1 LEU 119 HB3 -0.11 -0.09 0.10 -0.04 1.64 1.50 2z8yP1 LEU 119 HG 0.01 0.10 0.20 -0.04 1.64 1.91 2z8yP1 LEU 119 HD13 0.04 -0.04 0.05 -0.04 0.93 0.94 2z8yP1 LEU 119 HD23 -0.02 -0.05 0.07 -0.04 0.89 0.85 2z8yP1 LYS 120 H 0.02 0.58 -0.22 -0.55 8.42 8.25 2z8yP1 LYS 120 HA 0.01 0.12 0.72 -0.75 4.32 4.42 2z8yP1 LYS 120 HB2 -0.01 0.08 0.10 -0.04 1.87 2.01 2z8yP1 LYS 120 HB3 -0.01 -0.07 0.12 -0.04 1.79 1.79 2z8yP1 LYS 120 HG2 0.04 0.00 -0.19 -0.04 1.46 1.27 2z8yP1 LYS 120 HG3 0.03 -0.06 0.02 -0.04 1.46 1.41 2z8yP1 LYS 120 HD2 0.02 -0.07 0.01 -0.04 1.69 1.62 2z8yP1 LYS 120 HD3 0.02 0.03 0.03 -0.04 1.68 1.72 2z8yP1 LYS 120 HE2 0.09 -0.01 -0.04 -0.04 2.99 3.00 2z8yP1 LYS 120 HE3 0.06 -0.07 -0.01 -0.04 2.99 2.92 2z8yP1 TYR 121 H 0.11 0.39 -0.19 -0.55 8.29 8.05 2z8yP1 TYR 121 HA -0.10 0.13 0.49 -0.75 4.56 4.32 2z8yP1 TYR 121 HB2 -0.32 -0.14 0.12 -0.04 3.06 2.68 2z8yP1 TYR 121 HB3 0.05 0.23 0.17 -0.04 2.98 3.39 2z8yP1 TYR 121 HD2 -0.02 -0.07 -0.14 -0.04 7.15 6.87 2z8yP1 TYR 121 HE2 0.08 -0.07 -0.12 -0.04 6.85 6.70 2z8yP1 LYS 122 H -0.49 0.51 0.24 -0.55 8.42 8.11 2z8yP1 LYS 122 HA -0.18 0.22 0.66 -0.75 4.32 4.27 2z8yP1 LYS 122 HB2 -0.18 -0.03 0.10 -0.04 1.87 1.73 2z8yP1 LYS 122 HB3 -0.13 -0.11 0.12 -0.04 1.79 1.63 2z8yP1 LYS 122 HG2 -0.05 0.02 0.03 -0.04 1.46 1.42 2z8yP1 LYS 122 HG3 -0.07 0.15 -0.35 -0.04 1.46 1.15 2z8yP1 LYS 122 HD2 -0.06 -0.00 -0.02 -0.04 1.69 1.57 2z8yP1 LYS 122 HD3 -0.05 -0.08 0.01 -0.04 1.68 1.51 2z8yP1 LYS 122 HE2 -0.02 -0.06 -0.00 -0.04 2.99 2.87 2z8yP1 LYS 122 HE3 -0.02 0.09 -0.03 -0.04 2.99 2.98 2z8yP1 PRO 123 HA -0.06 0.10 0.47 -0.51 4.44 4.43 2z8yP1 PRO 123 HB2 -0.02 0.00 0.05 -0.04 2.28 2.27 2z8yP1 PRO 123 HB3 0.04 0.01 0.09 -0.04 2.02 2.12 2z8yP1 PRO 123 HG2 -0.00 0.03 0.09 -0.04 2.03 2.10 2z8yP1 PRO 123 HG3 0.06 0.05 0.07 -0.04 2.03 2.17 2z8yP1 PRO 123 HD2 -0.07 0.10 0.21 -0.04 3.68 3.88 2z8yP1 PRO 123 HD3 -0.01 0.23 0.09 -0.04 3.65 3.93 2z8yP1 ASP 124 H -0.11 0.08 -0.18 -0.55 8.40 7.64 2z8yP1 ASP 124 HA -0.04 0.19 0.62 -0.75 4.63 4.64 2z8yP1 ASP 124 HB2 -0.03 0.02 0.09 -0.04 2.71 2.75 2z8yP1 ASP 124 HB3 -0.03 -0.03 0.03 -0.04 2.70 2.64 2z8yP1 GLU 125 H -0.24 0.11 -0.50 -0.55 8.60 7.43 2z8yP1 GLU 125 HA -0.08 0.26 1.02 -0.75 4.29 4.74 2z8yP1 GLU 125 HB2 -0.12 -0.02 0.18 -0.04 2.09 2.09 2z8yP1 GLU 125 HB3 -0.07 0.05 0.05 -0.04 1.99 1.98 2z8yP1 GLU 125 HG2 -0.05 0.04 -0.13 -0.04 2.34 2.15 2z8yP1 GLU 125 HG3 -0.08 -0.24 -0.57 -0.04 2.34 1.41 2z8yP1 PRO 126 HA 0.10 0.05 0.44 -0.51 4.44 4.51 2z8yP1 PRO 126 HB2 0.12 0.20 -0.03 -0.04 2.28 2.52 2z8yP1 PRO 126 HB3 0.22 0.02 0.08 -0.04 2.02 2.30 2z8yP1 PRO 126 HG2 0.06 0.01 -0.08 -0.04 2.03 1.98 2z8yP1 PRO 126 HG3 0.07 0.03 0.00 -0.04 2.03 2.09 2z8yP1 PRO 126 HD2 -0.02 0.06 0.07 -0.04 3.68 3.75 2z8yP1 PRO 126 HD3 -0.04 0.22 -0.35 -0.04 3.65 3.44 2z8yP1 LEU 127 H 0.04 0.08 0.13 -0.55 8.37 8.09 2z8yP1 LEU 127 HA -0.06 0.15 0.43 -0.75 4.35 4.12 2z8yP1 LEU 127 HB2 -0.09 -0.05 0.06 -0.04 1.64 1.51 2z8yP1 LEU 127 HB3 -0.08 -0.05 -0.00 -0.04 1.64 1.47 2z8yP1 LEU 127 HG -0.17 -0.00 0.01 -0.04 1.64 1.43 2z8yP1 LEU 127 HD13 -0.60 -0.02 -0.11 -0.04 0.93 0.16 2z8yP1 LEU 127 HD23 -0.09 0.02 -0.16 -0.04 0.89 0.62 2z8yP1 LEU 128 H 0.04 0.14 -0.06 -0.55 8.37 7.94 2z8yP1 LEU 128 HA -0.14 0.17 0.62 -0.75 4.35 4.25 2z8yP1 LEU 128 HB2 0.09 0.00 -0.17 -0.04 1.64 1.52 2z8yP1 LEU 128 HB3 -0.37 0.03 -0.01 -0.04 1.64 1.25 2z8yP1 LEU 128 HG -0.07 -0.11 -0.51 -0.04 1.64 0.92 2z8yP1 LEU 128 HD13 -0.03 -0.04 -0.00 -0.04 0.93 0.81 2z8yP1 LEU 128 HD23 -0.36 0.02 0.01 -0.04 0.89 0.52 2z8yP1 PRO 129 HA 0.10 0.10 0.30 -0.51 4.44 4.44 2z8yP1 PRO 129 HB2 0.16 0.18 0.02 -0.04 2.28 2.61 2z8yP1 PRO 129 HB3 0.06 -0.02 0.07 -0.04 2.02 2.09 2z8yP1 PRO 129 HG2 0.19 0.05 0.00 -0.04 2.03 2.24 2z8yP1 PRO 129 HG3 -0.03 -0.02 0.05 -0.04 2.03 2.00 2z8yP1 PRO 129 HD2 -0.33 0.00 0.12 -0.04 3.68 3.44 2z8yP1 PRO 129 HD3 -0.16 0.17 0.14 -0.04 3.65 3.76 2z8yP1 PRO 130 HA 0.18 0.15 0.53 -0.51 4.44 4.80 2z8yP1 PRO 130 HB2 0.11 -0.03 0.02 -0.04 2.28 2.35 2z8yP1 PRO 130 HB3 0.10 0.01 0.11 -0.04 2.02 2.20 2z8yP1 PRO 130 HG2 0.08 -0.00 0.10 -0.04 2.03 2.17 2z8yP1 PRO 130 HG3 0.10 0.07 0.12 -0.04 2.03 2.29 2z8yP1 PRO 130 HD2 0.10 0.05 0.22 -0.04 3.68 4.00 2z8yP1 PRO 130 HD3 0.11 0.19 0.17 -0.04 3.65 4.08 2z8yP1 PRO 131 HA 0.08 0.01 0.37 -0.51 4.44 4.38 2z8yP1 PRO 131 HB2 -0.13 -0.03 -0.13 -0.04 2.28 1.95 2z8yP1 PRO 131 HB3 -0.05 0.09 0.08 -0.04 2.02 2.09 2z8yP1 PRO 131 HG2 -0.58 -0.02 -0.07 -0.04 2.03 1.33 2z8yP1 PRO 131 HG3 -0.29 0.02 0.01 -0.04 2.03 1.73 2z8yP1 PRO 131 HD2 0.04 0.18 0.64 -0.04 3.68 4.50 2z8yP1 PRO 131 HD3 -0.00 0.05 -0.04 -0.04 3.65 3.61 2z8yP1 TRP 132 H 0.45 0.24 -0.21 -0.55 7.97 7.90 2z8yP1 TRP 132 HA 0.07 0.10 0.53 -0.75 4.62 4.57 2z8yP1 TRP 132 HB2 0.06 0.36 -0.12 -0.04 3.23 3.49 2z8yP1 TRP 132 HB3 0.08 -0.08 -0.19 -0.04 3.23 2.99 2z8yP1 TRP 132 HD1 0.08 -0.02 -0.40 -0.04 7.22 6.84 2z8yP1 TRP 132 HE1 0.06 -0.12 -0.07 -0.04 10.20 10.03 2z8yP1 TRP 132 HE3 0.04 0.35 -0.19 -0.04 7.59 7.75 2z8yP1 TRP 132 HZ2 0.04 -0.11 -0.08 -0.04 7.44 7.25 2z8yP1 TRP 132 HZ3 0.03 0.06 -0.02 -0.04 7.13 7.16 2z8yP1 TRP 132 HH2 0.03 -0.03 -0.04 -0.04 7.19 7.10 2z8yP1 THR 133 H 0.27 0.47 0.26 -0.55 8.28 8.73 2z8yP1 THR 133 HA 0.15 0.19 0.81 -0.75 4.39 4.78 2z8yP1 THR 133 HB -0.00 -0.01 -0.21 -0.04 4.32 4.05 2z8yP1 THR 133 HG23 0.12 -0.01 -0.10 -0.04 1.22 1.19 2z8yP1 GLY 134 H 0.24 0.18 0.19 -0.55 8.43 8.50 2z8yP1 GLY 134 HA2 0.21 0.05 0.40 -0.51 4.01 4.16 2z8yP1 GLY 134 HA3 0.17 -0.02 0.60 -0.51 4.01 4.25 2z8yP1 PHE 135 H -0.19 0.06 0.16 -0.55 8.34 7.81 2z8yP1 PHE 135 HA -0.93 -0.03 0.33 -0.75 4.62 3.24 2z8yP1 PHE 135 HB2 -1.50 -0.07 0.07 -0.04 3.15 1.61 2z8yP1 PHE 135 HB3 -0.87 0.03 0.12 -0.04 3.06 2.31 2z8yP1 PHE 135 HD2 -0.64 -0.06 -0.20 -0.04 7.28 6.34 2z8yP1 PHE 135 HE2 -0.26 0.04 -0.19 -0.04 7.38 6.93 2z8yP1 PHE 135 HZ -0.16 -0.09 -0.11 -0.04 7.32 6.92 2z8yP1 ILE 136 H -0.93 0.13 0.13 -0.55 8.25 7.04 2z8yP1 ILE 136 HA -0.28 0.16 0.83 -0.75 4.18 4.14 2z8yP1 ILE 136 HB -0.24 -0.01 0.10 -0.04 1.89 1.70 2z8yP1 ILE 136 HG12 -0.26 -0.04 -0.12 -0.04 1.49 1.03 2z8yP1 ILE 136 HG13 -0.20 0.19 -0.21 -0.04 1.21 0.95 2z8yP1 ILE 136 HG23 -0.29 0.02 -0.13 -0.04 0.93 0.50 2z8yP1 ILE 136 HD13 -0.20 0.01 -0.07 -0.04 0.88 0.58 2z8yP1 GLY 137 H -0.16 0.11 0.12 -0.55 8.43 7.96 2z8yP1 GLY 137 HA2 -0.06 0.19 0.22 -0.51 4.01 3.85 2z8yP1 GLY 137 HA3 -0.04 -0.00 0.36 -0.51 4.01 3.82 2z8yP1 ASP 138 H -0.00 0.54 0.37 -0.55 8.40 8.76 2z8yP1 ASP 138 HA -0.16 0.06 0.39 -0.75 4.63 4.16 2z8yP1 ASP 138 HB2 0.05 0.01 0.07 -0.04 2.71 2.81 2z8yP1 ASP 138 HB3 0.04 0.04 -0.06 -0.04 2.70 2.68 2z8yP1 PRO 139 HA 0.06 0.09 0.42 -0.51 4.44 4.50 2z8yP1 PRO 139 HB2 -0.07 0.02 -0.04 -0.04 2.28 2.15 2z8yP1 PRO 139 HB3 -0.10 0.18 0.08 -0.04 2.02 2.14 2z8yP1 PRO 139 HG2 0.00 0.03 0.01 -0.04 2.03 2.03 2z8yP1 PRO 139 HG3 0.11 -0.01 0.00 -0.04 2.03 2.09 2z8yP1 PRO 139 HD2 -0.02 -0.02 -0.19 -0.04 3.68 3.41 2z8yP1 PRO 139 HD3 0.05 0.11 0.10 -0.04 3.65 3.87 2z8yP1 VAL 140 H -0.11 0.40 -0.28 -0.55 8.24 7.70 2z8yP1 VAL 140 HA -0.13 0.05 0.40 -0.75 4.13 3.70 2z8yP1 VAL 140 HB -0.14 0.19 0.03 -0.04 2.12 2.17 2z8yP1 VAL 140 HG13 0.19 0.00 -0.15 -0.04 0.97 0.98 2z8yP1 VAL 140 HG23 -0.03 -0.03 -0.00 -0.04 0.95 0.85 2z8yP1 VAL 141 H -0.27 0.32 -0.11 -0.55 8.24 7.63 2z8yP1 VAL 141 HA -0.20 0.03 0.17 -0.75 4.13 3.38 2z8yP1 VAL 141 HB -0.34 0.08 0.03 -0.04 2.12 1.85 2z8yP1 VAL 141 HG13 -0.33 -0.00 -0.16 -0.04 0.97 0.44 2z8yP1 VAL 141 HG23 -1.20 0.02 -0.03 -0.04 0.95 -0.31 2z8yP1 ARG 142 H -0.09 0.36 -0.55 -0.55 8.46 7.63 2z8yP1 ARG 142 HA 0.14 0.04 0.23 -0.75 4.34 4.01 2z8yP1 ARG 142 HB2 0.02 0.04 0.05 -0.04 1.90 1.97 2z8yP1 ARG 142 HB3 -0.02 -0.02 -0.06 -0.04 1.80 1.66 2z8yP1 ARG 142 HG2 -0.06 0.11 -0.01 -0.04 1.67 1.66 2z8yP1 ARG 142 HG3 -0.11 -0.06 -0.09 -0.04 1.67 1.37 2z8yP1 ARG 142 HD2 0.25 -0.10 -0.16 -0.04 3.22 3.16 2z8yP1 ARG 142 HD3 0.04 0.08 -0.05 -0.04 3.22 3.26 2z8yP1 ARG 143 H -0.18 0.38 -0.28 -0.55 8.46 7.83 2z8yP1 ARG 143 HA -0.26 -0.02 0.33 -0.75 4.34 3.64 2z8yP1 ARG 143 HB2 -0.35 0.02 0.12 -0.04 1.90 1.64 2z8yP1 ARG 143 HB3 -0.72 0.13 0.19 -0.04 1.80 1.35 2z8yP1 ARG 143 HG2 -1.25 0.03 -0.21 -0.04 1.67 0.20 2z8yP1 ARG 143 HG3 -0.43 -0.07 0.04 -0.04 1.67 1.18 2z8yP1 ARG 143 HD2 -0.31 -0.07 -0.05 -0.04 3.22 2.74 2z8yP1 ARG 143 HD3 -0.67 0.02 -0.06 -0.04 3.22 2.46 2z8yP1 PHE 144 H -0.06 0.37 -0.52 -0.55 8.34 7.58 2z8yP1 PHE 144 HA -0.07 0.09 0.58 -0.75 4.62 4.46 2z8yP1 PHE 144 HB2 0.07 0.10 -0.08 -0.04 3.15 3.20 2z8yP1 PHE 144 HB3 -0.04 0.01 0.04 -0.04 3.06 3.03 2z8yP1 PHE 144 HD2 0.07 0.01 -0.12 -0.04 7.28 7.19 2z8yP1 PHE 144 HE2 0.04 -0.01 -0.07 -0.04 7.38 7.29 2z8yP1 PHE 144 HZ -0.06 0.06 -0.06 -0.04 7.32 7.22 2z8yP1 GLY 145 H -0.00 0.39 -0.40 -0.55 8.43 7.87 2z8yP1 GLY 145 HA2 -0.37 0.13 0.45 -0.51 4.01 3.72 2z8yP1 GLY 145 HA3 -0.32 0.06 0.27 -0.51 4.01 3.50 2z8yP1 ILE 146 H -0.17 0.00 -0.11 -0.55 8.25 7.42 2z8yP1 ILE 146 HA -0.19 -0.05 0.21 -0.75 4.18 3.39 2z8yP1 ILE 146 HB -0.07 0.10 0.01 -0.04 1.89 1.90 2z8yP1 ILE 146 HG12 -0.08 0.03 0.08 -0.04 1.49 1.48 2z8yP1 ILE 146 HG13 -0.11 -0.14 0.08 -0.04 1.21 1.00 2z8yP1 ILE 146 HG23 -0.07 -0.03 -0.02 -0.04 0.93 0.77 2z8yP1 ILE 146 HD13 -0.12 0.19 0.06 -0.04 0.88 0.96 2z8yP1 LYS 147 H -0.06 0.14 -0.64 -0.55 8.42 7.31 2z8yP1 LYS 147 HA -0.07 0.04 0.22 -0.75 4.32 3.76 2z8yP1 LYS 147 HB2 0.02 0.12 -0.02 -0.04 1.87 1.95 2z8yP1 LYS 147 HB3 -0.04 0.00 -0.07 -0.04 1.79 1.64 2z8yP1 LYS 147 HG2 0.04 -0.02 -0.07 -0.04 1.46 1.38 2z8yP1 LYS 147 HG3 0.05 -0.07 -0.07 -0.04 1.46 1.33 2z8yP1 LYS 147 HD2 0.02 0.06 -0.08 -0.04 1.69 1.65 2z8yP1 LYS 147 HD3 -0.00 0.02 -0.06 -0.04 1.68 1.59 2z8yP1 LYS 147 HE2 0.21 0.00 -0.05 -0.04 2.99 3.11 2z8yP1 LYS 147 HE3 0.09 0.06 -0.07 -0.04 2.99 3.02 2z8yP1 MET 148 H -0.30 0.61 -0.14 -0.55 8.47 8.10 2z8yP1 MET 148 HA -0.31 0.15 0.65 -0.75 4.52 4.25 2z8yP1 MET 148 HB2 -0.88 0.02 0.12 -0.04 2.15 1.37 2z8yP1 MET 148 HB3 -0.89 0.03 0.05 -0.04 2.03 1.18 2z8yP1 MET 148 HG2 -0.13 -0.03 0.00 -0.04 2.63 2.43 2z8yP1 MET 148 HG3 -0.14 0.42 0.10 -0.04 2.56 2.90 2z8yP1 MET 148 HE3 0.16 0.00 -0.06 -0.04 2.10 2.16 2z8yP1 VAL 149 H -0.44 0.29 -0.23 -0.55 8.24 7.31 2z8yP1 VAL 149 HA -0.48 0.15 0.18 -0.75 4.13 3.22 2z8yP1 VAL 149 HB -0.15 0.03 -0.13 -0.04 2.12 1.82 2z8yP1 VAL 149 HG13 -0.33 -0.01 -0.09 -0.04 0.97 0.50 2z8yP1 VAL 149 HG23 -0.20 0.01 -0.03 -0.04 0.95 0.68 2z8yP1 ASP 150 H -0.25 0.14 -0.16 -0.55 8.40 7.58 2z8yP1 ASP 150 HA -0.08 0.23 0.75 -0.75 4.63 4.78 2z8yP1 ASP 150 HB2 0.01 0.04 0.15 -0.04 2.71 2.87 2z8yP1 ASP 150 HB3 -0.05 -0.08 0.02 -0.04 2.70 2.54 2z8yP1 TRP 151 H -0.52 0.25 -0.70 -0.55 7.97 6.45 2z8yP1 TRP 151 HA -0.01 0.34 0.26 -0.75 4.62 4.45 2z8yP1 TRP 151 HB2 0.00 0.02 -0.15 -0.04 3.23 3.06 2z8yP1 TRP 151 HB3 -0.01 -0.01 0.13 -0.04 3.23 3.30 2z8yP1 TRP 151 HD1 0.03 -0.08 -0.18 -0.04 7.22 6.95 2z8yP1 TRP 151 HE1 0.04 -0.07 0.05 -0.04 10.20 10.18 2z8yP1 TRP 151 HE3 0.04 0.04 0.15 -0.04 7.59 7.79 2z8yP1 TRP 151 HZ2 -0.03 -0.05 0.06 -0.04 7.44 7.38 2z8yP1 TRP 151 HZ3 0.18 -0.01 0.10 -0.04 7.13 7.35 2z8yP1 TRP 151 HH2 -0.02 0.06 0.15 -0.04 7.19 7.34 2z8yP1 THR 152 H -0.00 -0.01 -0.42 -0.55 8.28 7.29 2z8yP1 THR 152 HA 0.08 0.12 0.71 -0.75 4.39 4.54 2z8yP1 THR 152 HB 0.10 -0.03 0.10 -0.04 4.32 4.46 2z8yP1 THR 152 HG23 0.03 -0.00 -0.03 -0.04 1.22 1.17 2z8yP1 ILE 153 H -0.06 0.43 -0.10 -0.55 8.25 7.97 2z8yP1 ILE 153 HA -0.13 0.44 0.70 -0.75 4.18 4.44 2z8yP1 ILE 153 HB -0.11 -0.09 0.01 -0.04 1.89 1.67 2z8yP1 ILE 153 HG12 -0.21 0.21 0.05 -0.04 1.49 1.50 2z8yP1 ILE 153 HG13 -0.13 -0.09 -0.17 -0.04 1.21 0.78 2z8yP1 ILE 153 HG23 -0.13 -0.02 -0.01 -0.04 0.93 0.73 2z8yP1 ILE 153 HD13 -0.16 -0.04 -0.08 -0.04 0.88 0.56 2z8yP1 PRO 154 HA 0.29 0.15 0.73 -0.51 4.44 5.10 2z8yP1 PRO 154 HB2 -0.15 -0.09 0.00 -0.04 2.28 2.00 2z8yP1 PRO 154 HB3 -0.02 0.09 0.07 -0.04 2.02 2.12 2z8yP1 PRO 154 HG2 -1.20 -0.12 -0.10 -0.04 2.03 0.58 2z8yP1 PRO 154 HG3 -0.24 0.13 0.03 -0.04 2.03 1.91 2z8yP1 PRO 154 HD2 -0.41 0.04 -0.31 -0.04 3.68 2.96 2z8yP1 PRO 154 HD3 -0.13 0.33 -0.07 -0.04 3.65 3.74 2z8yP1 GLY 155 H -0.34 0.27 -0.09 -0.55 8.43 7.72 2z8yP1 GLY 155 HA2 0.11 -0.01 0.48 -0.51 4.01 4.08 2z8yP1 GLY 155 HA3 0.02 0.19 0.32 -0.51 4.01 4.02 2z8yP1 GLU 156 H 0.00 0.64 0.14 -0.55 8.60 8.84 2z8yP1 GLU 156 HA 0.07 0.23 1.19 -0.75 4.29 5.03 2z8yP1 GLU 156 HB2 -0.05 -0.05 -0.13 -0.04 2.09 1.82 2z8yP1 GLU 156 HB3 0.13 -0.02 -0.12 -0.04 1.99 1.94 2z8yP1 GLU 156 HG2 0.20 -0.05 -0.17 -0.04 2.34 2.28 2z8yP1 GLU 156 HG3 0.04 0.05 -0.22 -0.04 2.34 2.18 2z8yP1 ALA 157 H -0.08 0.69 0.32 -0.55 8.40 8.78 2z8yP1 ALA 157 HA -0.65 0.29 1.09 -0.75 4.34 4.31 2z8yP1 ALA 157 HB3 -0.28 -0.02 -0.06 -0.04 1.41 1.01 2z8yP1 ILE 158 H -0.11 0.76 0.34 -0.55 8.25 8.69 2z8yP1 ILE 158 HA 0.13 0.17 0.99 -0.75 4.18 4.72 2z8yP1 ILE 158 HB 0.03 0.06 0.25 -0.04 1.89 2.18 2z8yP1 ILE 158 HG12 -0.13 -0.07 -0.09 -0.04 1.49 1.17 2z8yP1 ILE 158 HG13 0.03 -0.00 -0.27 -0.04 1.21 0.93 2z8yP1 ILE 158 HG23 0.04 -0.04 -0.15 -0.04 0.93 0.74 2z8yP1 ILE 158 HD13 -0.07 0.02 -0.18 -0.04 0.88 0.62 2z8yP1 ILE 159 H 0.06 0.84 0.41 -0.55 8.25 9.00 2z8yP1 ILE 159 HA 0.06 0.14 0.88 -0.75 4.18 4.51 2z8yP1 ILE 159 HB 0.03 -0.01 0.14 -0.04 1.89 2.00 2z8yP1 ILE 159 HG12 0.02 -0.01 -0.10 -0.04 1.49 1.35 2z8yP1 ILE 159 HG13 -0.00 0.04 -0.33 -0.04 1.21 0.88 2z8yP1 ILE 159 HG23 0.05 -0.03 -0.18 -0.04 0.93 0.72 2z8yP1 ILE 159 HD13 -0.03 0.00 -0.11 -0.04 0.88 0.70 2z8yP1 LEU 160 H 0.10 0.70 0.33 -0.55 8.37 8.95 2z8yP1 LEU 160 HA 0.09 0.15 1.15 -0.75 4.35 4.99 2z8yP1 LEU 160 HB2 0.05 0.05 -0.29 -0.04 1.64 1.40 2z8yP1 LEU 160 HB3 0.05 0.06 0.01 -0.04 1.64 1.72 2z8yP1 LEU 160 HG 0.04 -0.03 -0.27 -0.04 1.64 1.34 2z8yP1 LEU 160 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.86 2z8yP1 LEU 160 HD23 -0.19 -0.00 -0.11 -0.04 0.89 0.55 2z8yP1 GLY 161 H 0.13 0.60 0.36 -0.55 8.43 8.97 2z8yP1 GLY 161 HA2 0.16 -0.11 0.41 -0.51 4.01 3.95 2z8yP1 GLY 161 HA3 0.20 0.39 0.90 -0.51 4.01 4.99 2z8yP1 ARG 162 H 0.14 0.79 0.25 -0.55 8.46 9.08 2z8yP1 ARG 162 HA 0.10 -0.00 0.83 -0.75 4.34 4.50 2z8yP1 ARG 162 HB2 0.09 -0.10 -0.11 -0.04 1.90 1.73 2z8yP1 ARG 162 HB3 0.09 0.02 0.03 -0.04 1.80 1.89 2z8yP1 ARG 162 HG2 0.06 0.25 -0.18 -0.04 1.67 1.76 2z8yP1 ARG 162 HG3 0.07 -0.09 -0.07 -0.04 1.67 1.54 2z8yP1 ARG 162 HD2 0.06 -0.06 -0.03 -0.04 3.22 3.15 2z8yP1 ARG 162 HD3 0.05 0.01 -0.06 -0.04 3.22 3.19 2z8yP1 ALA 163 H 0.09 0.09 -0.02 -0.55 8.40 8.01 2z8yP1 ALA 163 HA 0.21 0.13 0.58 -0.75 4.34 4.50 2z8yP1 ALA 163 HB3 0.20 0.01 0.01 -0.04 1.41 1.59 2z8yP1 LYS 164 H 0.14 0.13 0.11 -0.55 8.42 8.24 2z8yP1 LYS 164 HA -0.01 0.10 0.47 -0.75 4.32 4.13 2z8yP1 LYS 164 HB2 -0.13 0.04 0.11 -0.04 1.87 1.85 2z8yP1 LYS 164 HB3 -0.14 0.03 0.16 -0.04 1.79 1.80 2z8yP1 LYS 164 HG2 -0.98 -0.04 0.10 -0.04 1.46 0.50 2z8yP1 LYS 164 HG3 -0.31 -0.01 -0.09 -0.04 1.46 1.01 2z8yP1 LYS 164 HD2 -0.24 0.03 -0.00 -0.04 1.69 1.43 2z8yP1 LYS 164 HD3 -0.47 0.06 0.06 -0.04 1.68 1.30 2z8yP1 LYS 164 HE2 -0.80 -0.04 0.02 -0.04 2.99 2.14 2z8yP1 LYS 164 HE3 -0.28 0.00 -0.01 -0.04 2.99 2.66 2z8yP1 ASP 165 H -0.09 0.18 -0.11 -0.55 8.40 7.84 2z8yP1 ASP 165 HA -0.02 0.22 0.33 -0.75 4.63 4.40 2z8yP1 ASP 165 HB2 -0.03 -0.05 0.12 -0.04 2.71 2.71 2z8yP1 ASP 165 HB3 -0.05 0.21 0.11 -0.04 2.70 2.93 2z8yP1 SER 166 H -0.00 0.26 0.09 -0.55 8.46 8.26 2z8yP1 SER 166 HA 0.02 0.04 0.37 -0.75 4.49 4.16 2z8yP1 SER 166 HB2 -0.00 0.02 0.02 -0.04 3.95 3.95 2z8yP1 SER 166 HB3 0.00 0.19 0.01 -0.04 3.93 4.09 2z8yP1 LYS 167 H -0.01 0.12 -0.16 -0.55 8.42 7.81 2z8yP1 LYS 167 HA -0.00 0.15 0.29 -0.75 4.32 4.00 2z8yP1 LYS 167 HB2 -0.02 -0.05 0.03 -0.04 1.87 1.80 2z8yP1 LYS 167 HB3 -0.01 0.09 0.01 -0.04 1.79 1.84 2z8yP1 LYS 167 HG2 -0.01 0.09 0.02 -0.04 1.46 1.52 2z8yP1 LYS 167 HG3 -0.01 -0.09 0.05 -0.04 1.46 1.36 2z8yP1 LYS 167 HD2 -0.01 0.06 0.00 -0.04 1.69 1.70 2z8yP1 LYS 167 HD3 -0.01 0.03 0.00 -0.04 1.68 1.67 2z8yP1 LYS 167 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.90 2z8yP1 LYS 167 HE3 -0.02 0.05 -0.01 -0.04 2.99 2.97 2z8yP1 ALA 168 H -0.03 0.10 -0.36 -0.55 8.40 7.56 2z8yP1 ALA 168 HA 0.02 0.11 0.31 -0.75 4.34 4.03 2z8yP1 ALA 168 HB3 -0.11 -0.00 0.05 -0.04 1.41 1.31 2z8yP1 LEU 169 H 0.05 0.31 -0.15 -0.55 8.37 8.03 2z8yP1 LEU 169 HA 0.12 0.02 0.50 -0.75 4.35 4.24 2z8yP1 LEU 169 HB2 0.11 -0.14 0.07 -0.04 1.64 1.64 2z8yP1 LEU 169 HB3 0.05 0.08 0.12 -0.04 1.64 1.84 2z8yP1 LEU 169 HG 0.02 0.08 -0.19 -0.04 1.64 1.51 2z8yP1 LEU 169 HD13 0.04 -0.01 -0.01 -0.04 0.93 0.91 2z8yP1 LEU 169 HD23 0.04 -0.03 -0.02 -0.04 0.89 0.84 2z8yP1 ALA 170 H 0.02 0.68 -0.13 -0.55 8.40 8.42 2z8yP1 ALA 170 HA -0.00 0.02 0.32 -0.75 4.34 3.92 2z8yP1 ALA 170 HB3 -0.00 0.03 0.06 -0.04 1.41 1.46 2z8yP1 LYS 171 H 0.02 0.42 -0.15 -0.55 8.42 8.15 2z8yP1 LYS 171 HA 0.02 0.07 0.38 -0.75 4.32 4.03 2z8yP1 LYS 171 HB2 0.02 0.07 0.14 -0.04 1.87 2.06 2z8yP1 LYS 171 HB3 0.04 0.04 0.09 -0.04 1.79 1.92 2z8yP1 LYS 171 HG2 0.02 0.02 -0.07 -0.04 1.46 1.39 2z8yP1 LYS 171 HG3 0.01 0.02 0.03 -0.04 1.46 1.48 2z8yP1 LYS 171 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.64 2z8yP1 LYS 171 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.58 2z8yP1 LYS 171 HE2 0.03 -0.08 -0.06 -0.04 2.99 2.85 2z8yP1 LYS 171 HE3 0.02 0.04 -0.09 -0.04 2.99 2.92 2z8yP1 ILE 172 H 0.04 0.42 -0.11 -0.55 8.25 8.05 2z8yP1 ILE 172 HA 0.00 0.05 0.53 -0.75 4.18 4.01 2z8yP1 ILE 172 HB 0.03 0.09 0.18 -0.04 1.89 2.15 2z8yP1 ILE 172 HG12 -0.00 -0.00 0.05 -0.04 1.49 1.49 2z8yP1 ILE 172 HG13 0.09 0.06 0.07 -0.04 1.21 1.39 2z8yP1 ILE 172 HG23 -0.05 -0.01 -0.18 -0.04 0.93 0.65 2z8yP1 ILE 172 HD13 -0.11 -0.03 0.00 -0.04 0.88 0.70 2z8yP1 VAL 173 H 0.00 0.62 -0.03 -0.55 8.24 8.29 2z8yP1 VAL 173 HA -0.04 0.02 0.41 -0.75 4.13 3.77 2z8yP1 VAL 173 HB -0.02 0.08 0.12 -0.04 2.12 2.26 2z8yP1 VAL 173 HG13 -0.06 0.01 -0.22 -0.04 0.97 0.65 2z8yP1 VAL 173 HG23 -0.03 -0.01 -0.04 -0.04 0.95 0.82 2z8yP1 LYS 174 H 0.01 0.79 -0.12 -0.55 8.42 8.55 2z8yP1 LYS 174 HA 0.06 0.00 0.42 -0.75 4.32 4.05 2z8yP1 LYS 174 HB2 0.02 0.29 0.17 -0.04 1.87 2.30 2z8yP1 LYS 174 HB3 0.03 0.04 0.01 -0.04 1.79 1.83 2z8yP1 LYS 174 HG2 0.06 -0.03 0.04 -0.04 1.46 1.50 2z8yP1 LYS 174 HG3 0.03 -0.03 0.00 -0.04 1.46 1.42 2z8yP1 LYS 174 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.60 2z8yP1 LYS 174 HD3 0.01 -0.04 -0.04 -0.04 1.68 1.57 2z8yP1 LYS 174 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.91 2z8yP1 LYS 174 HE3 0.01 0.01 -0.06 -0.04 2.99 2.91 2z8yP1 GLU 175 H 0.02 0.50 -0.15 -0.55 8.60 8.42 2z8yP1 GLU 175 HA 0.05 0.09 0.59 -0.75 4.29 4.27 2z8yP1 GLU 175 HB2 0.02 -0.02 0.13 -0.04 2.09 2.18 2z8yP1 GLU 175 HB3 0.01 0.04 0.20 -0.04 1.99 2.20 2z8yP1 GLU 175 HG2 0.03 0.03 -0.21 -0.04 2.34 2.15 2z8yP1 GLU 175 HG3 0.03 0.02 0.03 -0.04 2.34 2.38 2z8yP1 LEU 176 H -0.01 0.49 -0.18 -0.55 8.37 8.13 2z8yP1 LEU 176 HA 0.02 0.04 0.33 -0.75 4.35 3.98 2z8yP1 LEU 176 HB2 -0.06 0.06 0.14 -0.04 1.64 1.74 2z8yP1 LEU 176 HB3 -0.07 -0.00 -0.06 -0.04 1.64 1.47 2z8yP1 LEU 176 HG -0.12 0.06 -0.01 -0.04 1.64 1.53 2z8yP1 LEU 176 HD13 -0.11 -0.04 -0.14 -0.04 0.93 0.60 2z8yP1 LEU 176 HD23 -0.65 0.00 -0.09 -0.04 0.89 0.11 2z8yP1 MET 177 H 0.02 0.52 -0.11 -0.55 8.47 8.35 2z8yP1 MET 177 HA -0.04 0.12 0.30 -0.75 4.52 4.15 2z8yP1 MET 177 HB2 0.04 0.03 0.12 -0.04 2.15 2.31 2z8yP1 MET 177 HB3 -0.13 -0.06 0.01 -0.04 2.03 1.81 2z8yP1 MET 177 HG2 -0.20 0.13 0.02 -0.04 2.63 2.53 2z8yP1 MET 177 HG3 -0.09 -0.03 0.04 -0.04 2.56 2.43 2z8yP1 MET 177 HE3 -0.34 0.05 -0.01 -0.04 2.10 1.76 2z8yP1 GLY 178 H 0.11 0.40 -0.28 -0.55 8.43 8.11 2z8yP1 GLY 178 HA2 0.20 0.11 0.52 -0.51 4.01 4.33 2z8yP1 GLY 178 HA3 0.14 -0.00 0.37 -0.51 4.01 4.01 2z8yP1 MET 179 H 0.16 0.41 -0.35 -0.55 8.47 8.14 2z8yP1 MET 179 HA 0.13 0.18 0.93 -0.75 4.52 5.01 2z8yP1 MET 179 HB2 0.43 0.01 0.10 -0.04 2.15 2.64 2z8yP1 MET 179 HB3 0.20 -0.06 0.16 -0.04 2.03 2.29 2z8yP1 MET 179 HG2 0.13 0.01 -0.11 -0.04 2.63 2.61 2z8yP1 MET 179 HG3 0.15 0.30 0.06 -0.04 2.56 3.02 2z8yP1 MET 179 HE3 0.08 -0.02 -0.12 -0.04 2.10 2.00 2z8yP1 GLY 180 H 0.06 0.30 -0.25 -0.55 8.43 7.99 2z8yP1 GLY 180 HA2 -0.10 -0.12 0.38 -0.51 4.01 3.66 2z8yP1 GLY 180 HA3 -0.05 0.29 0.62 -0.51 4.01 4.35 2z8yP1 PHE 181 H 0.23 0.33 -0.13 -0.55 8.34 8.22 2z8yP1 PHE 181 HA -0.08 0.18 0.55 -0.75 4.62 4.51 2z8yP1 PHE 181 HB2 -0.06 -0.05 -0.10 -0.04 3.15 2.90 2z8yP1 PHE 181 HB3 -0.12 -0.07 -0.21 -0.04 3.06 2.62 2z8yP1 PHE 181 HD2 -0.06 0.03 -0.23 -0.04 7.28 6.98 2z8yP1 PHE 181 HE2 0.03 0.04 -0.22 -0.04 7.38 7.19 2z8yP1 PHE 181 HZ 0.21 0.01 -0.17 -0.04 7.32 7.33 2z8yP1 MET 182 H -0.09 0.40 0.37 -0.55 8.47 8.60 2z8yP1 MET 182 HA -0.43 0.37 0.88 -0.75 4.52 4.59 2z8yP1 MET 182 HB2 -0.34 0.02 0.10 -0.04 2.15 1.90 2z8yP1 MET 182 HB3 -0.17 0.06 0.17 -0.04 2.03 2.05 2z8yP1 MET 182 HG2 -0.47 -0.14 -0.32 -0.04 2.63 1.67 2z8yP1 MET 182 HG3 -0.78 0.02 -0.16 -0.04 2.56 1.60 2z8yP1 MET 182 HE3 0.03 0.02 -0.07 -0.04 2.10 2.04 2z8yP1 LEU 183 H -0.55 0.54 0.39 -0.55 8.37 8.20 2z8yP1 LEU 183 HA -0.20 0.27 1.12 -0.75 4.35 4.78 2z8yP1 LEU 183 HB2 -0.28 -0.15 0.02 -0.04 1.64 1.20 2z8yP1 LEU 183 HB3 -0.15 -0.05 -0.02 -0.04 1.64 1.38 2z8yP1 LEU 183 HG -0.21 0.13 -0.05 -0.04 1.64 1.47 2z8yP1 LEU 183 HD13 -0.10 -0.02 -0.06 -0.04 0.93 0.70 2z8yP1 LEU 183 HD23 -0.10 -0.03 -0.47 -0.04 0.89 0.24 2z8yP1 PHE 184 H 0.06 0.77 0.44 -0.55 8.34 9.05 2z8yP1 PHE 184 HA 0.01 0.23 0.94 -0.75 4.62 5.04 2z8yP1 PHE 184 HB2 -0.06 -0.07 0.17 -0.04 3.15 3.15 2z8yP1 PHE 184 HB3 -0.02 -0.07 -0.00 -0.04 3.06 2.92 2z8yP1 PHE 184 HD2 -0.09 -0.01 -0.18 -0.04 7.28 6.97 2z8yP1 PHE 184 HE2 -0.47 0.04 -0.12 -0.04 7.38 6.80 2z8yP1 PHE 184 HZ -1.29 0.03 -0.13 -0.04 7.32 5.89 2z8yP1 ILE 185 H 0.09 0.82 0.35 -0.55 8.25 8.96 2z8yP1 ILE 185 HA 0.07 0.33 1.26 -0.75 4.18 5.09 2z8yP1 ILE 185 HB -0.02 -0.07 -0.03 -0.04 1.89 1.73 2z8yP1 ILE 185 HG12 -0.04 -0.01 -0.21 -0.04 1.49 1.19 2z8yP1 ILE 185 HG13 -0.03 0.04 -0.51 -0.04 1.21 0.67 2z8yP1 ILE 185 HG23 0.02 -0.01 -0.24 -0.04 0.93 0.66 2z8yP1 ILE 185 HD13 -0.12 0.05 -0.37 -0.04 0.88 0.40 2z8yP1 CYS 186 H 0.09 0.60 0.36 -0.55 8.50 9.00 2z8yP1 CYS 186 HA 0.17 0.15 0.99 -0.75 4.58 5.12 2z8yP1 CYS 186 HB2 0.12 0.07 -0.41 -0.04 2.97 2.71 2z8yP1 CYS 186 HB3 0.10 0.06 0.04 -0.04 2.97 3.12 2z8yP1 ASP 187 H 0.20 0.83 0.49 -0.55 8.40 9.37 2z8yP1 ASP 187 HA 0.17 0.03 0.45 -0.75 4.63 4.52 2z8yP1 ASP 187 HB2 0.14 0.14 0.49 -0.04 2.71 3.43 2z8yP1 ASP 187 HB3 0.13 -0.06 0.31 -0.04 2.70 3.04 2z8yP1 GLU 188 H 0.11 0.16 0.17 -0.55 8.60 8.50 2z8yP1 GLU 188 HA 0.12 0.04 0.09 -0.75 4.29 3.79 2z8yP1 GLU 188 HB2 0.09 0.03 0.06 -0.04 2.09 2.23 2z8yP1 GLU 188 HB3 0.08 0.01 0.07 -0.04 1.99 2.11 2z8yP1 GLU 188 HG2 0.07 0.07 0.02 -0.04 2.34 2.46 2z8yP1 GLU 188 HG3 0.09 -0.02 0.02 -0.04 2.34 2.40 2z8yP1 ALA 189 H 0.10 0.80 -0.05 -0.55 8.40 8.70 2z8yP1 ALA 189 HA 0.06 -0.10 0.45 -0.75 4.34 3.99 2z8yP1 ALA 189 HB3 0.06 0.02 -0.15 -0.04 1.41 1.30 2z8yP1 VAL 190 H 0.08 0.52 -0.39 -0.55 8.24 7.90 2z8yP1 VAL 190 HA -0.06 0.07 0.36 -0.75 4.13 3.74 2z8yP1 VAL 190 HB 0.18 0.04 0.07 -0.04 2.12 2.37 2z8yP1 VAL 190 HG13 -0.39 0.01 -0.18 -0.04 0.97 0.37 2z8yP1 VAL 190 HG23 0.08 -0.03 -0.12 -0.04 0.95 0.83 2z8yP1 GLU 191 H 0.11 0.15 -0.09 -0.55 8.60 8.23 2z8yP1 GLU 191 HA 0.03 0.07 0.36 -0.75 4.29 4.00 2z8yP1 GLU 191 HB2 0.11 0.01 0.12 -0.04 2.09 2.29 2z8yP1 GLU 191 HB3 0.09 0.01 -0.01 -0.04 1.99 2.05 2z8yP1 GLU 191 HG2 0.20 0.02 -0.00 -0.04 2.34 2.52 2z8yP1 GLU 191 HG3 0.30 0.05 -0.02 -0.04 2.34 2.63 2z8yP1 GLN 192 H 0.04 0.67 -0.17 -0.55 8.47 8.46 2z8yP1 GLN 192 HA 0.02 -0.03 0.51 -0.75 4.36 4.11 2z8yP1 GLN 192 HB2 0.03 0.13 0.17 -0.04 2.15 2.44 2z8yP1 GLN 192 HB3 0.02 -0.11 0.04 -0.04 2.02 1.94 2z8yP1 GLN 192 HG2 0.03 -0.06 -0.00 -0.04 2.40 2.32 2z8yP1 GLN 192 HG3 0.05 0.13 -0.05 -0.04 2.39 2.47 2z8yP1 GLN 192 HE21 0.05 0.26 -0.15 -0.04 6.97 7.09 2z8yP1 GLN 192 HE22 0.03 -0.00 -0.14 -0.04 7.69 7.54 2z8yP1 LEU 193 H -0.02 0.64 -0.15 -0.55 8.37 8.29 2z8yP1 LEU 193 HA -0.03 -0.05 0.07 -0.75 4.35 3.59 2z8yP1 LEU 193 HB2 -0.09 0.11 0.08 -0.04 1.64 1.70 2z8yP1 LEU 193 HB3 -0.09 0.01 -0.09 -0.04 1.64 1.43 2z8yP1 LEU 193 HG -0.02 -0.03 -0.01 -0.04 1.64 1.54 2z8yP1 LEU 193 HD13 -0.06 -0.01 -0.15 -0.04 0.93 0.67 2z8yP1 LEU 193 HD23 -0.03 -0.00 -0.19 -0.04 0.89 0.62 2z8yP1 LEU 194 H -0.08 0.47 -0.13 -0.55 8.37 8.09 2z8yP1 LEU 194 HA -0.11 0.14 0.31 -0.75 4.35 3.93 2z8yP1 LEU 194 HB2 -0.06 -0.02 0.06 -0.04 1.64 1.58 2z8yP1 LEU 194 HB3 -0.08 -0.01 -0.00 -0.04 1.64 1.50 2z8yP1 LEU 194 HG -0.26 0.14 -0.05 -0.04 1.64 1.43 2z8yP1 LEU 194 HD13 -0.54 -0.03 -0.08 -0.04 0.93 0.24 2z8yP1 LEU 194 HD23 -0.27 0.01 -0.05 -0.04 0.89 0.54 2z8yP1 GLU 195 H -0.02 0.57 -0.23 -0.55 8.60 8.37 2z8yP1 GLU 195 HA -0.00 0.03 0.41 -0.75 4.29 3.98 2z8yP1 GLU 195 HB2 0.02 -0.06 0.11 -0.04 2.09 2.11 2z8yP1 GLU 195 HB3 0.01 0.19 0.23 -0.04 1.99 2.38 2z8yP1 GLU 195 HG2 0.00 0.01 -0.22 -0.04 2.34 2.09 2z8yP1 GLU 195 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2z8yP1 GLU 196 H -0.02 0.39 -0.27 -0.55 8.60 8.15 2z8yP1 GLU 196 HA -0.01 0.06 0.59 -0.75 4.29 4.17 2z8yP1 GLU 196 HB2 -0.02 0.14 0.05 -0.04 2.09 2.22 2z8yP1 GLU 196 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.01 2z8yP1 GLU 196 HG2 -0.01 0.08 -0.04 -0.04 2.34 2.33 2z8yP1 GLU 196 HG3 -0.01 -0.08 -0.25 -0.04 2.34 1.97 2z8yP1 ASN 197 H -0.04 0.49 -0.68 -0.55 8.53 7.76 2z8yP1 ASN 197 HA -0.05 0.07 0.26 -0.75 4.76 4.29 2z8yP1 ASN 197 HB2 -0.03 0.15 -0.29 -0.04 2.88 2.67 2z8yP1 ASN 197 HB3 -0.03 -0.08 0.16 -0.04 2.79 2.80 2z8yP1 ASN 197 HD21 -0.01 -0.05 -0.03 -0.04 7.03 6.90 2z8yP1 ASN 197 HD22 -0.01 -0.01 -0.16 -0.04 7.74 7.52 2z8yP1 VAL 198 H -0.07 0.35 -0.32 -0.55 8.24 7.65 2z8yP1 VAL 198 HA -0.07 0.11 0.81 -0.75 4.13 4.23 2z8yP1 VAL 198 HB -0.04 0.01 0.01 -0.04 2.12 2.06 2z8yP1 VAL 198 HG13 -0.05 -0.01 -0.06 -0.04 0.97 0.80 2z8yP1 VAL 198 HG23 -0.10 -0.02 -0.22 -0.04 0.95 0.58 2z8yP1 LYS 199 H -0.14 0.12 0.10 -0.55 8.42 7.95 2z8yP1 LYS 199 HA -0.36 0.03 0.48 -0.75 4.32 3.73 2z8yP1 LYS 199 HB2 -0.23 -0.03 0.15 -0.04 1.87 1.71 2z8yP1 LYS 199 HB3 -1.58 0.06 -0.05 -0.04 1.79 0.17 2z8yP1 LYS 199 HG2 -0.30 0.01 -0.02 -0.04 1.46 1.11 2z8yP1 LYS 199 HG3 -0.24 0.00 0.01 -0.04 1.46 1.19 2z8yP1 LYS 199 HD2 -0.02 -0.03 -0.00 -0.04 1.69 1.60 2z8yP1 LYS 199 HD3 -0.01 0.01 0.04 -0.04 1.68 1.67 2z8yP1 LYS 199 HE2 0.35 0.05 -0.03 -0.04 2.99 3.32 2z8yP1 LYS 199 HE3 0.24 0.00 -0.02 -0.04 2.99 3.18 2z8yP1 LEU 200 H -0.32 0.17 0.20 -0.55 8.37 7.87 2z8yP1 LEU 200 HA -0.28 0.20 0.73 -0.75 4.35 4.25 2z8yP1 LEU 200 HB2 -0.24 -0.05 -0.01 -0.04 1.64 1.30 2z8yP1 LEU 200 HB3 -0.21 0.05 0.02 -0.04 1.64 1.45 2z8yP1 LEU 200 HG -0.21 0.13 -0.43 -0.04 1.64 1.09 2z8yP1 LEU 200 HD13 -0.21 -0.04 -0.15 -0.04 0.93 0.49 2z8yP1 LEU 200 HD23 -0.19 0.05 -0.21 -0.04 0.89 0.49 2z8yP1 GLY 201 H -0.09 0.83 0.30 -0.55 8.43 8.91 2z8yP1 GLY 201 HA2 0.04 0.17 0.35 -0.51 4.01 4.07 2z8yP1 GLY 201 HA3 0.12 0.12 0.86 -0.51 4.01 4.61 2z8yP1 ILE 202 H 0.15 0.22 0.14 -0.55 8.25 8.20 2z8yP1 ILE 202 HA 0.44 0.06 0.39 -0.75 4.18 4.32 2z8yP1 ILE 202 HB 0.12 -0.03 0.16 -0.04 1.89 2.10 2z8yP1 ILE 202 HG12 0.11 0.00 0.01 -0.04 1.49 1.57 2z8yP1 ILE 202 HG13 0.18 0.00 0.03 -0.04 1.21 1.38 2z8yP1 ILE 202 HG23 0.16 0.02 -0.16 -0.04 0.93 0.90 2z8yP1 ILE 202 HD13 0.06 0.02 0.03 -0.04 0.88 0.95 2z8yP1 ASP 203 H 0.07 0.07 -0.07 -0.55 8.40 7.92 2z8yP1 ASP 203 HA 0.04 0.06 0.41 -0.75 4.63 4.38 2z8yP1 ASP 203 HB2 -0.27 -0.05 0.00 -0.04 2.71 2.35 2z8yP1 ASP 203 HB3 -0.28 0.32 0.14 -0.04 2.70 2.83 2z8yP1 TYR 204 H 0.06 0.16 -0.84 -0.55 8.29 7.11 2z8yP1 TYR 204 HA -0.29 0.47 0.90 -0.75 4.56 4.89 2z8yP1 TYR 204 HB2 -0.26 -0.06 -0.14 -0.04 3.06 2.56 2z8yP1 TYR 204 HB3 -0.39 -0.01 0.06 -0.04 2.98 2.60 2z8yP1 TYR 204 HD2 -0.27 -0.04 -0.39 -0.04 7.15 6.41 2z8yP1 TYR 204 HE2 0.04 -0.04 -0.12 -0.04 6.85 6.68 2z8yP1 ILE 205 H -0.28 0.49 -0.22 -0.55 8.25 7.68 2z8yP1 ILE 205 HA -0.91 -0.02 0.29 -0.75 4.18 2.78 2z8yP1 ILE 205 HB -0.58 0.15 0.22 -0.04 1.89 1.64 2z8yP1 ILE 205 HG12 -1.75 -0.04 -0.14 -0.04 1.49 -0.48 2z8yP1 ILE 205 HG13 -0.69 -0.02 -0.57 -0.04 1.21 -0.10 2z8yP1 ILE 205 HG23 -0.77 -0.03 0.05 -0.04 0.93 0.14 2z8yP1 ILE 205 HD13 -0.47 0.01 -0.28 -0.04 0.88 0.10 2z8yP1 ALA 206 H -0.57 0.36 -0.36 -0.55 8.40 7.29 2z8yP1 ALA 206 HA -0.57 0.05 0.80 -0.75 4.34 3.86 2z8yP1 ALA 206 HB3 -0.28 0.02 -0.06 -0.04 1.41 1.04 2z8yP1 TYR 207 H -0.51 0.68 0.12 -0.55 8.29 8.03 2z8yP1 TYR 207 HA -0.10 0.14 0.36 -0.75 4.56 4.21 2z8yP1 TYR 207 HB2 -0.16 -0.05 0.13 -0.04 3.06 2.95 2z8yP1 TYR 207 HB3 -0.03 0.03 -0.10 -0.04 2.98 2.84 2z8yP1 TYR 207 HD2 -0.72 -0.02 -0.16 -0.04 7.15 6.21 2z8yP1 TYR 207 HE2 -0.39 0.04 -0.07 -0.04 6.85 6.39 2z8yP1 PRO 208 HA -0.01 0.12 0.80 -0.51 4.44 4.84 2z8yP1 PRO 208 HB2 -0.60 -0.04 0.01 -0.04 2.28 1.60 2z8yP1 PRO 208 HB3 -0.38 -0.03 0.00 -0.04 2.02 1.58 2z8yP1 PRO 208 HG2 -0.36 0.04 -0.23 -0.04 2.03 1.45 2z8yP1 PRO 208 HG3 -0.25 0.05 -0.08 -0.04 2.03 1.72 2z8yP1 PRO 208 HD2 0.00 0.22 0.22 -0.04 3.68 4.08 2z8yP1 PRO 208 HD3 -0.05 0.29 0.38 -0.04 3.65 4.22 2z8yP1 LEU 209 H 0.17 0.95 0.38 -0.55 8.37 9.33 2z8yP1 LEU 209 HA 0.23 0.13 0.13 -0.75 4.35 4.08 2z8yP1 LEU 209 HB2 0.18 -0.07 -0.12 -0.04 1.64 1.59 2z8yP1 LEU 209 HB3 0.22 0.10 -0.18 -0.04 1.64 1.74 2z8yP1 LEU 209 HG 0.22 0.03 -0.09 -0.04 1.64 1.76 2z8yP1 LEU 209 HD13 0.07 -0.01 -0.18 -0.04 0.93 0.77 2z8yP1 LEU 209 HD23 0.33 0.02 -0.23 -0.04 0.89 0.96 2z8yP1 GLY 210 H 0.34 0.19 0.10 -0.55 8.43 8.51 2z8yP1 GLY 210 HA2 0.45 0.10 0.31 -0.51 4.01 4.37 2z8yP1 GLY 210 HA3 0.25 0.14 0.56 -0.51 4.01 4.44 2z8yP1 ASN 211 H 0.18 0.26 0.12 -0.55 8.53 8.54 2z8yP1 ASN 211 HA 0.19 0.05 0.85 -0.75 4.76 5.10 2z8yP1 ASN 211 HB2 0.17 0.07 0.01 -0.04 2.88 3.09 2z8yP1 ASN 211 HB3 0.17 -0.03 0.16 -0.04 2.79 3.04 2z8yP1 ASN 211 HD21 0.08 0.08 -0.10 -0.04 7.03 7.04 2z8yP1 ASN 211 HD22 0.06 0.06 -0.05 -0.04 7.74 7.77 2z8yP1 PHE 212 H 0.26 0.13 0.10 -0.55 8.34 8.28 2z8yP1 PHE 212 HA 0.07 0.07 0.32 -0.75 4.62 4.33 2z8yP1 PHE 212 HB2 0.07 0.03 -0.02 -0.04 3.15 3.19 2z8yP1 PHE 212 HB3 0.08 0.04 -0.32 -0.04 3.06 2.82 2z8yP1 PHE 212 HD2 0.08 -0.01 0.00 -0.04 7.28 7.32 2z8yP1 PHE 212 HE2 0.13 0.02 -0.02 -0.04 7.38 7.47 2z8yP1 PHE 212 HZ -0.04 0.05 -0.02 -0.04 7.32 7.26 2z8yP1 THR 213 H -0.28 0.17 0.12 -0.55 8.28 7.75 2z8yP1 THR 213 HA -0.30 0.08 -0.01 -0.75 4.39 3.40 2z8yP1 THR 213 HB -0.20 0.07 0.13 -0.04 4.32 4.28 2z8yP1 THR 213 HG23 -0.76 0.00 0.03 -0.04 1.22 0.45 2z8yP1 GLN 214 H 0.07 0.72 -0.24 -0.55 8.47 8.48 2z8yP1 GLN 214 HA -0.04 0.10 0.32 -0.75 4.36 3.98 2z8yP1 GLN 214 HB2 0.18 -0.07 -0.18 -0.04 2.15 2.05 2z8yP1 GLN 214 HB3 0.29 0.07 -0.20 -0.04 2.02 2.15 2z8yP1 GLN 214 HG2 0.26 0.16 0.05 -0.04 2.40 2.83 2z8yP1 GLN 214 HG3 0.30 0.00 -0.01 -0.04 2.39 2.64 2z8yP1 GLN 214 HE21 0.18 -0.03 -0.02 -0.04 6.97 7.06 2z8yP1 GLN 214 HE22 0.15 -0.01 -0.06 -0.04 7.69 7.73 2z8yP1 ILE 215 H -0.01 0.42 -0.54 -0.55 8.25 7.56 2z8yP1 ILE 215 HA -0.01 0.04 0.25 -0.75 4.18 3.70 2z8yP1 ILE 215 HB 0.03 -0.06 -0.06 -0.04 1.89 1.76 2z8yP1 ILE 215 HG12 0.01 -0.01 -0.13 -0.04 1.49 1.32 2z8yP1 ILE 215 HG13 -0.06 0.02 -0.20 -0.04 1.21 0.94 2z8yP1 ILE 215 HG23 -0.07 0.03 -0.12 -0.04 0.93 0.73 2z8yP1 ILE 215 HD13 0.02 -0.00 -0.13 -0.04 0.88 0.73 2z8yP1 VAL 216 H -0.28 0.60 -0.46 -0.55 8.24 7.56 2z8yP1 VAL 216 HA -0.49 0.07 0.22 -0.75 4.13 3.17 2z8yP1 VAL 216 HB -0.28 0.02 0.02 -0.04 2.12 1.84 2z8yP1 VAL 216 HG13 -0.47 0.05 -0.25 -0.04 0.97 0.26 2z8yP1 VAL 216 HG23 -0.39 -0.02 0.05 -0.04 0.95 0.56 2z8yP1 HIS 217 H -0.33 0.58 -0.50 -0.55 8.41 7.62 2z8yP1 HIS 217 HA -0.18 0.03 0.48 -0.75 4.63 4.20 2z8yP1 HIS 217 HB2 -0.04 0.12 -0.14 -0.04 3.26 3.17 2z8yP1 HIS 217 HB3 -0.17 -0.03 0.01 -0.04 3.20 2.97 2z8yP1 HIS 217 HD2 0.09 0.05 -0.07 -0.04 6.97 6.99 2z8yP1 HIS 217 HE1 -0.10 0.03 -0.10 -0.04 7.75 7.53 2z8yP1 ALA 218 H -0.26 0.44 -0.34 -0.55 8.40 7.69 2z8yP1 ALA 218 HA -1.32 0.12 0.55 -0.75 4.34 2.94 2z8yP1 ALA 218 HB3 -0.50 0.02 0.01 -0.04 1.41 0.90 2z8yP1 ALA 219 H -0.51 0.17 -0.19 -0.55 8.40 7.33 2z8yP1 ALA 219 HA -0.45 0.14 0.29 -0.75 4.34 3.56 2z8yP1 ALA 219 HB3 -1.44 0.04 0.08 -0.04 1.41 0.05 2z8yP1 ASN 220 H -0.29 0.58 0.06 -0.55 8.53 8.33 2z8yP1 ASN 220 HA -0.16 0.07 0.35 -0.75 4.76 4.26 2z8yP1 ASN 220 HB2 0.06 -0.01 0.03 -0.04 2.88 2.91 2z8yP1 ASN 220 HB3 -0.06 -0.10 0.03 -0.04 2.79 2.62 2z8yP1 ASN 220 HD21 0.58 -0.05 -0.15 -0.04 7.03 7.37 2z8yP1 ASN 220 HD22 0.04 -0.06 -0.13 -0.04 7.74 7.55 2z8yP1 TYR 221 H -0.11 0.11 -0.90 -0.55 8.29 6.85 2z8yP1 TYR 221 HA -0.21 0.07 0.51 -0.75 4.56 4.18 2z8yP1 TYR 221 HB2 -0.22 0.09 0.07 -0.04 3.06 2.95 2z8yP1 TYR 221 HB3 -0.26 0.13 0.07 -0.04 2.98 2.87 2z8yP1 TYR 221 HD2 -0.06 0.02 -0.35 -0.04 7.15 6.72 2z8yP1 TYR 221 HE2 -0.13 0.00 -0.15 -0.04 6.85 6.53 2z8yP1 ALA 222 H -0.02 0.62 -0.02 -0.55 8.40 8.44 2z8yP1 ALA 222 HA 0.29 0.04 0.26 -0.75 4.34 4.17 2z8yP1 ALA 222 HB3 0.21 0.02 0.05 -0.04 1.41 1.65 2z8yP1 LEU 223 H -0.04 0.32 -0.45 -0.55 8.37 7.66 2z8yP1 LEU 223 HA 0.03 0.10 0.13 -0.75 4.35 3.85 2z8yP1 LEU 223 HB2 -0.16 -0.03 -0.10 -0.04 1.64 1.30 2z8yP1 LEU 223 HB3 -0.20 -0.03 -0.02 -0.04 1.64 1.35 2z8yP1 LEU 223 HG -0.04 0.27 0.02 -0.04 1.64 1.84 2z8yP1 LEU 223 HD13 -0.42 -0.05 -0.08 -0.04 0.93 0.34 2z8yP1 LEU 223 HD23 0.11 0.01 -0.09 -0.04 0.89 0.87 2z8yP1 ARG 224 H -0.17 0.34 -0.45 -0.55 8.46 7.62 2z8yP1 ARG 224 HA -0.52 0.05 0.57 -0.75 4.34 3.69 2z8yP1 ARG 224 HB2 -0.36 0.17 0.08 -0.04 1.90 1.75 2z8yP1 ARG 224 HB3 -0.59 -0.07 0.01 -0.04 1.80 1.11 2z8yP1 ARG 224 HG2 -0.52 -0.07 0.02 -0.04 1.67 1.06 2z8yP1 ARG 224 HG3 -0.22 0.22 0.07 -0.04 1.67 1.70 2z8yP1 ARG 224 HD2 -0.22 -0.04 0.02 -0.04 3.22 2.94 2z8yP1 ARG 224 HD3 0.09 -0.19 0.01 -0.04 3.22 3.09 2z8yP1 ALA 225 H -0.08 0.51 -0.33 -0.55 8.40 7.96 2z8yP1 ALA 225 HA -0.46 -0.02 0.26 -0.75 4.34 3.37 2z8yP1 ALA 225 HB3 0.37 0.05 0.05 -0.04 1.41 1.84 2z8yP1 GLY 226 H -0.11 0.26 -0.18 -0.55 8.43 7.85 2z8yP1 GLY 226 HA2 -1.66 0.07 0.41 -0.51 4.01 2.31 2z8yP1 GLY 226 HA3 -0.50 0.10 0.25 -0.51 4.01 3.35 2z8yP1 MET 227 H -0.33 0.26 -0.43 -0.55 8.47 7.42 2z8yP1 MET 227 HA -0.14 0.19 0.48 -0.75 4.52 4.29 2z8yP1 MET 227 HB2 -0.58 -0.03 0.10 -0.04 2.15 1.61 2z8yP1 MET 227 HB3 -0.11 -0.01 0.01 -0.04 2.03 1.87 2z8yP1 MET 227 HG2 -0.04 0.20 -0.08 -0.04 2.63 2.67 2z8yP1 MET 227 HG3 -0.14 -0.01 -0.08 -0.04 2.56 2.28 2z8yP1 MET 227 HE3 -0.32 0.01 -0.12 -0.04 2.10 1.63 2z8yP1 MET 228 H -0.42 0.53 -0.05 -0.55 8.47 7.98 2z8yP1 MET 228 HA -0.09 0.11 0.48 -0.75 4.52 4.27 2z8yP1 MET 228 HB2 -0.96 0.02 0.07 -0.04 2.15 1.25 2z8yP1 MET 228 HB3 -0.57 -0.08 -0.12 -0.04 2.03 1.22 2z8yP1 MET 228 HG2 -0.19 -0.06 -0.08 -0.04 2.63 2.26 2z8yP1 MET 228 HG3 -0.70 0.13 -0.01 -0.04 2.56 1.94 2z8yP1 MET 228 HE3 -0.15 -0.04 -0.03 -0.04 2.10 1.84 2z8yP1 PHE 229 H -0.18 0.81 0.20 -0.55 8.34 8.62 2z8yP1 PHE 229 HA 0.02 0.06 0.58 -0.75 4.62 4.53 2z8yP1 PHE 229 HB2 0.27 0.12 0.07 -0.04 3.15 3.57 2z8yP1 PHE 229 HB3 0.21 -0.07 -0.25 -0.04 3.06 2.91 2z8yP1 PHE 229 HD2 0.08 0.05 -0.17 -0.04 7.28 7.20 2z8yP1 PHE 229 HE2 -0.14 -0.01 -0.13 -0.04 7.38 7.05 2z8yP1 PHE 229 HZ -0.14 0.07 -0.06 -0.04 7.32 7.15 2z8yP1 GLY 230 H -0.02 0.15 0.10 -0.55 8.43 8.11 2z8yP1 GLY 230 HA2 0.29 0.16 0.47 -0.51 4.01 4.42 2z8yP1 GLY 230 HA3 -0.01 -0.07 0.40 -0.51 4.01 3.83 2z8yP1 GLY 231 H 0.01 0.05 -0.70 -0.55 8.43 7.23 2z8yP1 GLY 231 HA2 0.01 0.17 0.18 -0.51 4.01 3.86 2z8yP1 GLY 231 HA3 0.04 -0.00 0.36 -0.51 4.01 3.90 2z8yP1 VAL 232 H -0.11 0.50 -0.18 -0.55 8.24 7.91 2z8yP1 VAL 232 HA 0.02 0.08 0.57 -0.75 4.13 4.04 2z8yP1 VAL 232 HB -0.07 -0.07 -0.18 -0.04 2.12 1.76 2z8yP1 VAL 232 HG13 0.03 -0.00 -0.20 -0.04 0.97 0.76 2z8yP1 VAL 232 HG23 -0.05 0.04 -0.04 -0.04 0.95 0.86 2z8yP1 THR 233 H 0.03 0.05 0.14 -0.55 8.28 7.94 2z8yP1 THR 233 HA 0.03 0.15 0.39 -0.75 4.39 4.20 2z8yP1 THR 233 HB 0.03 -0.15 0.13 -0.04 4.32 4.29 2z8yP1 THR 233 HG23 0.02 0.04 -0.11 -0.04 1.22 1.14 2z8yP1 PRO 234 HA 0.06 0.11 0.53 -0.51 4.44 4.63 2z8yP1 PRO 234 HB2 0.05 -0.03 0.09 -0.04 2.28 2.35 2z8yP1 PRO 234 HB3 0.08 0.12 0.06 -0.04 2.02 2.24 2z8yP1 PRO 234 HG2 0.08 -0.02 0.06 -0.04 2.03 2.11 2z8yP1 PRO 234 HG3 0.12 0.02 0.04 -0.04 2.03 2.17 2z8yP1 PRO 234 HD2 0.04 0.00 0.20 -0.04 3.68 3.88 2z8yP1 PRO 234 HD3 0.05 0.40 0.22 -0.04 3.65 4.28 2z8yP1 GLY 235 H 0.11 0.74 0.08 -0.55 8.43 8.82 2z8yP1 GLY 235 HA2 0.11 -0.18 -0.32 -0.51 4.01 3.11 2z8yP1 GLY 235 HA3 0.06 0.15 0.24 -0.51 4.01 3.95 2z8yP1 ALA 236 H 0.06 0.73 -0.55 -0.55 8.40 8.09 2z8yP1 ALA 236 HA 0.03 0.04 0.71 -0.75 4.34 4.37 2z8yP1 ALA 236 HB3 0.03 0.01 0.12 -0.04 1.41 1.53 2z8yP1 ARG 237 H 0.02 0.38 0.12 -0.55 8.46 8.42 2z8yP1 ARG 237 HA 0.07 0.10 0.06 -0.75 4.34 3.82 2z8yP1 ARG 237 HB2 0.03 0.47 0.23 -0.04 1.90 2.60 2z8yP1 ARG 237 HB3 -0.05 -0.12 0.18 -0.04 1.80 1.77 2z8yP1 ARG 237 HG2 -0.29 -0.07 -0.15 -0.04 1.67 1.11 2z8yP1 ARG 237 HG3 -0.44 -0.04 0.07 -0.04 1.67 1.22 2z8yP1 ARG 237 HD2 -0.12 -0.06 -0.00 -0.04 3.22 3.00 2z8yP1 ARG 237 HD3 -0.01 0.18 0.07 -0.04 3.22 3.42 2z8yP1 GLU 238 H -0.06 0.11 -0.04 -0.55 8.60 8.06 2z8yP1 GLU 238 HA -0.21 0.08 0.58 -0.75 4.29 3.99 2z8yP1 GLU 238 HB2 -0.05 0.00 0.15 -0.04 2.09 2.16 2z8yP1 GLU 238 HB3 -0.02 0.03 0.09 -0.04 1.99 2.04 2z8yP1 GLU 238 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 2z8yP1 GLU 238 HG3 0.01 0.06 -0.10 -0.04 2.34 2.28 2z8yP1 GLU 239 H -0.00 0.25 -0.19 -0.55 8.60 8.12 2z8yP1 GLU 239 HA 0.04 0.04 0.32 -0.75 4.29 3.94 2z8yP1 GLU 239 HB2 0.03 -0.09 0.10 -0.04 2.09 2.08 2z8yP1 GLU 239 HB3 0.04 0.15 0.07 -0.04 1.99 2.21 2z8yP1 GLU 239 HG2 0.09 0.05 0.05 -0.04 2.34 2.48 2z8yP1 GLU 239 HG3 0.06 -0.03 0.07 -0.04 2.34 2.40 2z8yP1 GLN 240 H 0.02 0.25 -0.46 -0.55 8.47 7.74 2z8yP1 GLN 240 HA 0.10 0.09 0.50 -0.75 4.36 4.29 2z8yP1 GLN 240 HB2 0.25 0.05 -0.03 -0.04 2.15 2.38 2z8yP1 GLN 240 HB3 0.27 -0.06 -0.13 -0.04 2.02 2.06 2z8yP1 GLN 240 HG2 0.08 0.06 -0.12 -0.04 2.40 2.37 2z8yP1 GLN 240 HG3 0.18 0.07 -0.22 -0.04 2.39 2.39 2z8yP1 GLN 240 HE21 -0.01 0.06 -0.37 -0.04 6.97 6.61 2z8yP1 GLN 240 HE22 0.06 0.12 -0.44 -0.04 7.69 7.39 2z8yP1 ARG 241 H -0.20 0.51 0.05 -0.55 8.46 8.27 2z8yP1 ARG 241 HA -0.18 0.09 0.69 -0.75 4.34 4.18 2z8yP1 ARG 241 HB2 -1.11 -0.05 0.22 -0.04 1.90 0.91 2z8yP1 ARG 241 HB3 -1.86 0.05 0.08 -0.04 1.80 0.03 2z8yP1 ARG 241 HG2 -0.91 0.02 0.11 -0.04 1.67 0.85 2z8yP1 ARG 241 HG3 -0.71 0.04 0.12 -0.04 1.67 1.08 2z8yP1 ARG 241 HD2 -0.86 -0.08 -0.03 -0.04 3.22 2.21 2z8yP1 ARG 241 HD3 -0.89 -0.11 0.04 -0.04 3.22 2.21 2z8yP1 ASP 242 H -0.11 0.56 -0.10 -0.55 8.40 8.21 2z8yP1 ASP 242 HA 0.30 0.02 0.39 -0.75 4.63 4.59 2z8yP1 ASP 242 HB2 0.11 -0.02 0.14 -0.04 2.71 2.90 2z8yP1 ASP 242 HB3 0.11 0.12 0.10 -0.04 2.70 2.99 2z8yP1 TYR 243 H 0.23 0.47 -0.10 -0.55 8.29 8.33 2z8yP1 TYR 243 HA 0.07 0.05 0.59 -0.75 4.56 4.51 2z8yP1 TYR 243 HB2 0.07 0.10 0.22 -0.04 3.06 3.40 2z8yP1 TYR 243 HB3 0.10 0.10 0.11 -0.04 2.98 3.24 2z8yP1 TYR 243 HD2 0.11 0.02 -0.11 -0.04 7.15 7.13 2z8yP1 TYR 243 HE2 0.20 0.03 -0.04 -0.04 6.85 7.00 2z8yP1 GLN 244 H 0.24 0.34 -0.34 -0.55 8.47 8.16 2z8yP1 GLN 244 HA 0.41 -0.08 0.49 -0.75 4.36 4.43 2z8yP1 GLN 244 HB2 0.08 0.18 0.34 -0.04 2.15 2.71 2z8yP1 GLN 244 HB3 0.10 0.01 0.08 -0.04 2.02 2.17 2z8yP1 GLN 244 HG2 0.26 0.27 0.13 -0.04 2.40 3.02 2z8yP1 GLN 244 HG3 0.25 -0.12 0.03 -0.04 2.39 2.50 2z8yP1 GLN 244 HE21 0.29 0.13 -0.04 -0.04 6.97 7.31 2z8yP1 GLN 244 HE22 0.27 0.02 -0.04 -0.04 7.69 7.90 2z8yP1 ARG 245 H 0.24 0.44 0.12 -0.55 8.46 8.71 2z8yP1 ARG 245 HA 0.30 0.14 0.49 -0.75 4.34 4.51 2z8yP1 ARG 245 HB2 0.40 -0.02 0.17 -0.04 1.90 2.40 2z8yP1 ARG 245 HB3 0.14 -0.03 0.03 -0.04 1.80 1.90 2z8yP1 ARG 245 HG2 0.24 0.05 0.17 -0.04 1.67 2.10 2z8yP1 ARG 245 HG3 -0.06 -0.16 0.05 -0.04 1.67 1.47 2z8yP1 ARG 245 HD2 0.03 -0.13 0.03 -0.04 3.22 3.11 2z8yP1 ARG 245 HD3 0.12 0.07 0.01 -0.04 3.22 3.38 2z8yP1 ARG 246 H 0.11 0.52 -0.12 -0.55 8.46 8.42 2z8yP1 ARG 246 HA 0.03 -0.01 0.35 -0.75 4.34 3.96 2z8yP1 ARG 246 HB2 -0.07 0.04 0.18 -0.04 1.90 2.01 2z8yP1 ARG 246 HB3 -0.07 -0.01 0.03 -0.04 1.80 1.70 2z8yP1 ARG 246 HG2 -0.01 -0.05 0.05 -0.04 1.67 1.62 2z8yP1 ARG 246 HG3 0.03 -0.05 0.05 -0.04 1.67 1.67 2z8yP1 ARG 246 HD2 0.03 -0.12 -0.01 -0.04 3.22 3.08 2z8yP1 ARG 246 HD3 0.03 0.06 -0.11 -0.04 3.22 3.16 2z8yP1 ARG 247 H -0.01 0.45 -0.08 -0.55 8.46 8.27 2z8yP1 ARG 247 HA 0.14 0.20 0.80 -0.75 4.34 4.72 2z8yP1 ARG 247 HB2 -0.65 0.04 0.09 -0.04 1.90 1.34 2z8yP1 ARG 247 HB3 -1.11 -0.09 0.03 -0.04 1.80 0.59 2z8yP1 ARG 247 HG2 -0.53 0.09 -0.02 -0.04 1.67 1.17 2z8yP1 ARG 247 HG3 -0.35 -0.15 -0.23 -0.04 1.67 0.90 2z8yP1 ARG 247 HD2 -1.68 -0.08 0.08 -0.04 3.22 1.50 2z8yP1 ARG 247 HD3 -1.04 -0.01 0.11 -0.04 3.22 2.23 2z8yP1 ILE 248 H 0.29 0.59 0.16 -0.55 8.25 8.73 2z8yP1 ILE 248 HA 0.39 0.06 0.94 -0.75 4.18 4.81 2z8yP1 ILE 248 HB 0.59 0.07 0.24 -0.04 1.89 2.74 2z8yP1 ILE 248 HG12 0.47 0.04 -0.11 -0.04 1.49 1.85 2z8yP1 ILE 248 HG13 0.47 -0.05 0.00 -0.04 1.21 1.59 2z8yP1 ILE 248 HG23 0.21 -0.06 -0.10 -0.04 0.93 0.94 2z8yP1 ILE 248 HD13 0.51 -0.01 -0.06 -0.04 0.88 1.28 2z8yP1 ARG 249 H 0.29 0.16 0.10 -0.55 8.46 8.46 2z8yP1 ARG 249 HA 0.19 0.26 0.36 -0.75 4.34 4.39 2z8yP1 ARG 249 HB2 0.20 0.05 0.35 -0.04 1.90 2.46 2z8yP1 ARG 249 HB3 0.13 -0.04 0.08 -0.04 1.80 1.93 2z8yP1 ARG 249 HG2 0.20 0.05 -0.47 -0.04 1.67 1.41 2z8yP1 ARG 249 HG3 0.37 0.10 -0.03 -0.04 1.67 2.07 2z8yP1 ARG 249 HD2 -0.02 0.04 -0.07 -0.04 3.22 3.13 2z8yP1 ARG 249 HD3 -0.16 0.06 0.03 -0.04 3.22 3.11 2z8yP1 ALA 250 H -0.05 0.54 0.35 -0.55 8.40 8.69 2z8yP1 ALA 250 HA -0.26 0.23 0.83 -0.75 4.34 4.38 2z8yP1 ALA 250 HB3 -0.96 -0.04 -0.11 -0.04 1.41 0.27 2z8yP1 PHE 251 H -0.68 0.44 0.40 -0.55 8.34 7.95 2z8yP1 PHE 251 HA 0.09 0.29 0.52 -0.75 4.62 4.77 2z8yP1 PHE 251 HB2 0.00 -0.09 0.08 -0.04 3.15 3.10 2z8yP1 PHE 251 HB3 0.04 0.17 0.09 -0.04 3.06 3.32 2z8yP1 PHE 251 HD2 0.00 0.03 -0.35 -0.04 7.28 6.93 2z8yP1 PHE 251 HE2 -0.02 -0.04 -0.18 -0.04 7.38 7.09 2z8yP1 PHE 251 HZ -0.55 -0.04 -0.17 -0.04 7.32 6.51 2z8yP1 VAL 252 H 0.26 0.59 0.35 -0.55 8.24 8.89 2z8yP1 VAL 252 HA 0.11 0.26 0.96 -0.75 4.13 4.70 2z8yP1 VAL 252 HB 0.16 -0.02 0.22 -0.04 2.12 2.43 2z8yP1 VAL 252 HG13 0.09 -0.04 -0.21 -0.04 0.97 0.76 2z8yP1 VAL 252 HG23 0.21 0.02 -0.14 -0.04 0.95 1.00 2z8yP1 LEU 253 H 0.11 0.65 0.26 -0.55 8.37 8.84 2z8yP1 LEU 253 HA 0.02 0.34 0.95 -0.75 4.35 4.91 2z8yP1 LEU 253 HB2 0.06 -0.08 0.19 -0.04 1.64 1.76 2z8yP1 LEU 253 HB3 -0.01 -0.08 0.02 -0.04 1.64 1.52 2z8yP1 LEU 253 HG 0.23 0.05 -0.20 -0.04 1.64 1.68 2z8yP1 LEU 253 HD13 -0.00 -0.02 -0.14 -0.04 0.93 0.73 2z8yP1 LEU 253 HD23 -0.03 0.04 -0.22 -0.04 0.89 0.64 2z8yP1 TYR 254 H 0.10 0.78 0.15 -0.55 8.29 8.77 2z8yP1 TYR 254 HA 0.05 0.14 0.72 -0.75 4.56 4.72 2z8yP1 TYR 254 HB2 -0.01 0.03 -0.07 -0.04 3.06 2.96 2z8yP1 TYR 254 HB3 -0.09 -0.03 0.01 -0.04 2.98 2.82 2z8yP1 TYR 254 HD2 -0.04 0.12 -0.12 -0.04 7.15 7.07 2z8yP1 TYR 254 HE2 0.01 0.00 -0.11 -0.04 6.85 6.71 2z8yP1 LEU 255 H 0.25 0.64 0.32 -0.55 8.37 9.04 2z8yP1 LEU 255 HA 0.06 -0.06 0.84 -0.75 4.35 4.44 2z8yP1 LEU 255 HB2 0.13 -0.11 -0.27 -0.04 1.64 1.35 2z8yP1 LEU 255 HB3 0.13 -0.04 -0.15 -0.04 1.64 1.53 2z8yP1 LEU 255 HG 0.07 0.24 -0.23 -0.04 1.64 1.68 2z8yP1 LEU 255 HD13 0.07 -0.04 -0.19 -0.04 0.93 0.73 2z8yP1 LEU 255 HD23 -0.10 -0.00 -0.28 -0.04 0.89 0.47 2z8yP1 GLY 256 H 0.05 0.01 0.10 -0.55 8.43 8.05 2z8yP1 GLY 256 HA2 0.06 -0.02 0.33 -0.51 4.01 3.86 2z8yP1 GLY 256 HA3 0.10 0.12 0.79 -0.51 4.01 4.51 2z8yP1 GLU 257 H 0.04 0.07 0.11 -0.55 8.60 8.29 2z8yP1 GLU 257 HA -0.02 -0.01 0.47 -0.75 4.29 3.97 2z8yP1 GLU 257 HB2 0.04 -0.03 0.16 -0.04 2.09 2.21 2z8yP1 GLU 257 HB3 0.08 -0.03 0.05 -0.04 1.99 2.04 2z8yP1 GLU 257 HG2 0.08 0.29 -0.00 -0.04 2.34 2.67 2z8yP1 GLU 257 HG3 0.02 -0.04 0.09 -0.04 2.34 2.37 2z8yP1 HIS 258 H 0.03 0.05 0.18 -0.55 8.41 8.13 2z8yP1 HIS 258 HA 0.19 0.08 0.51 -0.75 4.63 4.66 2z8yP1 HIS 258 HB2 0.06 -0.03 0.08 -0.04 3.26 3.33 2z8yP1 HIS 258 HB3 0.20 -0.04 -0.02 -0.04 3.20 3.29 2z8yP1 HIS 258 HD2 -0.75 0.20 -0.21 -0.04 6.97 6.17 2z8yP1 HIS 258 HE1 0.01 0.07 -0.10 -0.04 7.75 7.68 2z8yP1 ASP 259 H 0.37 0.20 0.17 -0.55 8.40 8.59 2z8yP1 ASP 259 HA 0.17 0.19 0.12 -0.75 4.63 4.36 2z8yP1 ASP 259 HB2 0.11 -0.01 0.16 -0.04 2.71 2.94 2z8yP1 ASP 259 HB3 0.14 0.21 0.12 -0.04 2.70 3.13 2z8yP1 MET 260 H 0.13 0.25 0.10 -0.55 8.47 8.40 2z8yP1 MET 260 HA 0.13 0.10 0.28 -0.75 4.52 4.28 2z8yP1 MET 260 HB2 0.11 0.09 0.04 -0.04 2.15 2.34 2z8yP1 MET 260 HB3 0.13 0.06 0.12 -0.04 2.03 2.30 2z8yP1 MET 260 HG2 0.09 -0.07 0.13 -0.04 2.63 2.74 2z8yP1 MET 260 HG3 0.09 -0.02 0.01 -0.04 2.56 2.59 2z8yP1 MET 260 HE3 0.01 0.01 -0.03 -0.04 2.10 2.04 2z8yP1 VAL 261 H 0.14 0.06 -0.26 -0.55 8.24 7.63 2z8yP1 VAL 261 HA 0.12 0.19 0.41 -0.75 4.13 4.09 2z8yP1 VAL 261 HB 0.22 -0.06 0.06 -0.04 2.12 2.30 2z8yP1 VAL 261 HG13 0.21 0.03 -0.11 -0.04 0.97 1.06 2z8yP1 VAL 261 HG23 0.14 0.04 0.01 -0.04 0.95 1.10 2z8yP1 LYS 262 H 0.16 0.07 -0.17 -0.55 8.42 7.93 2z8yP1 LYS 262 HA 0.04 0.08 0.38 -0.75 4.32 4.07 2z8yP1 LYS 262 HB2 0.20 -0.10 0.16 -0.04 1.87 2.09 2z8yP1 LYS 262 HB3 -0.04 0.08 -0.07 -0.04 1.79 1.72 2z8yP1 LYS 262 HG2 -0.04 0.06 -0.02 -0.04 1.46 1.41 2z8yP1 LYS 262 HG3 0.14 -0.07 -0.01 -0.04 1.46 1.48 2z8yP1 LYS 262 HD2 0.31 0.00 -0.02 -0.04 1.69 1.95 2z8yP1 LYS 262 HD3 0.23 0.11 -0.11 -0.04 1.68 1.87 2z8yP1 LYS 262 HE2 0.19 0.01 -0.01 -0.04 2.99 3.15 2z8yP1 LYS 262 HE3 0.15 -0.04 -0.04 -0.04 2.99 3.02 2z8yP1 THR 263 H 0.19 0.59 -0.07 -0.55 8.28 8.45 2z8yP1 THR 263 HA 0.26 0.09 0.49 -0.75 4.39 4.48 2z8yP1 THR 263 HB 0.15 0.03 0.01 -0.04 4.32 4.47 2z8yP1 THR 263 HG23 0.10 0.02 -0.12 -0.04 1.22 1.18 2z8yP1 ALA 264 H 0.11 0.70 -0.12 -0.55 8.40 8.55 2z8yP1 ALA 264 HA 0.06 0.02 0.37 -0.75 4.34 4.04 2z8yP1 ALA 264 HB3 0.07 0.03 0.06 -0.04 1.41 1.52 2z8yP1 ALA 265 H 0.14 0.47 -0.26 -0.55 8.40 8.20 2z8yP1 ALA 265 HA 0.32 0.07 0.35 -0.75 4.34 4.33 2z8yP1 ALA 265 HB3 0.17 -0.01 0.02 -0.04 1.41 1.55 2z8yP1 ALA 266 H 0.17 0.45 -0.38 -0.55 8.40 8.09 2z8yP1 ALA 266 HA 0.22 0.03 0.39 -0.75 4.34 4.22 2z8yP1 ALA 266 HB3 0.17 0.02 0.11 -0.04 1.41 1.66 2z8yP1 PHE 267 H 0.43 0.48 -0.19 -0.55 8.34 8.51 2z8yP1 PHE 267 HA 0.11 0.04 0.50 -0.75 4.62 4.52 2z8yP1 PHE 267 HB2 0.01 0.09 0.14 -0.04 3.15 3.34 2z8yP1 PHE 267 HB3 -0.03 0.02 0.09 -0.04 3.06 3.10 2z8yP1 PHE 267 HD2 0.04 0.08 -0.17 -0.04 7.28 7.19 2z8yP1 PHE 267 HE2 -0.22 -0.03 -0.11 -0.04 7.38 6.97 2z8yP1 PHE 267 HZ -0.13 -0.03 -0.14 -0.04 7.32 6.98 2z8yP1 GLY 268 H 0.09 0.42 -0.68 -0.55 8.43 7.71 2z8yP1 GLY 268 HA2 -0.68 -0.00 0.14 -0.51 4.01 2.95 2z8yP1 GLY 268 HA3 -1.45 0.07 0.20 -0.51 4.01 2.32 2z8yP1 ALA 269 H 0.14 0.28 -0.33 -0.55 8.40 7.95 2z8yP1 ALA 269 HA 0.37 0.04 0.41 -0.75 4.34 4.41 2z8yP1 ALA 269 HB3 0.46 0.05 0.04 -0.04 1.41 1.92 2z8yP1 ILE 270 H 0.06 0.32 0.02 -0.55 8.25 8.10 2z8yP1 ILE 270 HA 0.26 0.27 0.37 -0.75 4.18 4.33 2z8yP1 ILE 270 HB -0.31 -0.04 0.10 -0.04 1.89 1.59 2z8yP1 ILE 270 HG12 0.35 -0.02 0.01 -0.04 1.49 1.79 2z8yP1 ILE 270 HG13 0.22 0.13 0.10 -0.04 1.21 1.62 2z8yP1 ILE 270 HG23 -0.49 -0.02 -0.19 -0.04 0.93 0.20 2z8yP1 ILE 270 HD13 -0.52 -0.04 -0.13 -0.04 0.88 0.15 2z8yP1 PHE 271 H -0.07 0.35 -0.62 -0.55 8.34 7.44 2z8yP1 PHE 271 HA -0.37 -0.05 0.29 -0.75 4.62 3.74 2z8yP1 PHE 271 HB2 -0.29 -0.01 0.11 -0.04 3.15 2.92 2z8yP1 PHE 271 HB3 -0.43 0.13 0.10 -0.04 3.06 2.81 2z8yP1 PHE 271 HD2 -0.31 0.02 -0.19 -0.04 7.28 6.75 2z8yP1 PHE 271 HE2 -0.61 -0.03 -0.05 -0.04 7.38 6.65 2z8yP1 PHE 271 HZ -0.50 -0.03 -0.03 -0.04 7.32 6.73 2z8yP1 THR 272 H -0.18 0.40 -0.31 -0.55 8.28 7.64 2z8yP1 THR 272 HA -0.46 0.11 0.93 -0.75 4.39 4.21 2z8yP1 THR 272 HB 0.17 -0.09 0.03 -0.04 4.32 4.39 2z8yP1 THR 272 HG23 -0.24 0.09 0.08 -0.04 1.22 1.10 2z8yP1 GLY 273 H 0.06 0.29 -0.40 -0.55 8.43 7.83 2z8yP1 GLY 273 HA2 0.35 -0.00 0.21 -0.51 4.01 4.05 2z8yP1 GLY 273 HA3 0.32 0.07 0.53 -0.51 4.01 4.43 2z8yP1 PHE 274 H 0.39 0.32 -0.04 -0.55 8.34 8.46 2z8yP1 PHE 274 HA 0.35 0.39 0.82 -0.75 4.62 5.43 2z8yP1 PHE 274 HB2 0.32 -0.23 -0.12 -0.04 3.15 3.08 2z8yP1 PHE 274 HB3 0.28 0.00 -0.23 -0.04 3.06 3.08 2z8yP1 PHE 274 HD2 0.33 0.05 -0.20 -0.04 7.28 7.41 2z8yP1 PHE 274 HE2 0.30 0.12 -0.07 -0.04 7.38 7.69 2z8yP1 PHE 274 HZ 0.27 -0.07 -0.04 -0.04 7.32 7.43 2z8yP1 PRO 275 HA 0.55 0.07 0.60 -0.51 4.44 5.15 2z8yP1 PRO 275 HB2 0.07 -0.13 -0.10 -0.04 2.28 2.07 2z8yP1 PRO 275 HB3 -0.15 0.26 0.14 -0.04 2.02 2.23 2z8yP1 PRO 275 HG2 0.20 -0.19 0.08 -0.04 2.03 2.08 2z8yP1 PRO 275 HG3 0.06 0.11 -0.05 -0.04 2.03 2.10 2z8yP1 PRO 275 HD2 0.36 0.42 0.47 -0.04 3.68 4.88 2z8yP1 PRO 275 HD3 0.23 0.29 0.26 -0.04 3.65 4.38 2z8yP1 VAL 276 H 0.22 0.92 0.35 -0.55 8.24 9.19 2z8yP1 VAL 276 HA 0.09 0.11 1.03 -0.75 4.13 4.60 2z8yP1 VAL 276 HB 0.16 0.02 0.31 -0.04 2.12 2.57 2z8yP1 VAL 276 HG13 0.00 -0.06 -0.18 -0.04 0.97 0.69 2z8yP1 VAL 276 HG23 0.25 -0.00 -0.03 -0.04 0.95 1.12 2z8yP1 ILE 277 H -0.10 0.89 0.39 -0.55 8.25 8.88 2z8yP1 ILE 277 HA -0.69 0.20 0.98 -0.75 4.18 3.93 2z8yP1 ILE 277 HB -0.21 0.05 0.16 -0.04 1.89 1.85 2z8yP1 ILE 277 HG12 -0.34 -0.02 -0.17 -0.04 1.49 0.92 2z8yP1 ILE 277 HG13 -1.01 0.02 -0.27 -0.04 1.21 -0.09 2z8yP1 ILE 277 HG23 -0.26 -0.03 -0.20 -0.04 0.93 0.39 2z8yP1 ILE 277 HD13 -0.21 -0.01 -0.26 -0.04 0.88 0.36 2z8yP1 THR 278 H -0.32 0.66 0.34 -0.55 8.28 8.42 2z8yP1 THR 278 HA -0.07 0.36 1.23 -0.75 4.39 5.16 2z8yP1 THR 278 HB -0.22 -0.03 -0.03 -0.04 4.32 4.00 2z8yP1 THR 278 HG23 -0.13 0.04 -0.15 -0.04 1.22 0.94 2z8yP1 ASP 279 H -0.06 0.26 0.16 -0.55 8.40 8.21 2z8yP1 ASP 279 HA -0.06 0.27 0.48 -0.75 4.63 4.56 2z8yP1 ASP 279 HB2 0.21 0.03 0.16 -0.04 2.71 3.07 2z8yP1 ASP 279 HB3 -0.16 0.02 0.05 -0.04 2.70 2.57 2z8yP1 GLN 280 H -0.10 0.08 -0.47 -0.55 8.47 7.43 2z8yP1 GLN 280 HA -0.08 0.12 0.55 -0.75 4.36 4.20 2z8yP1 GLN 280 HB2 -0.38 -0.00 -0.10 -0.04 2.15 1.63 2z8yP1 GLN 280 HB3 -0.30 0.12 -0.11 -0.04 2.02 1.69 2z8yP1 GLN 280 HG2 -0.19 -0.07 -0.09 -0.04 2.40 2.01 2z8yP1 GLN 280 HG3 -0.59 0.01 -0.11 -0.04 2.39 1.66 2z8yP1 GLN 280 HE21 -0.01 0.01 -0.12 -0.04 6.97 6.82 2z8yP1 GLN 280 HE22 -0.02 -0.16 -0.25 -0.04 7.69 7.22 2z8yP1 PRO 281 HA -0.01 0.05 0.57 -0.51 4.44 4.54 2z8yP1 PRO 281 HB2 -0.01 0.03 -0.05 -0.04 2.28 2.21 2z8yP1 PRO 281 HB3 -0.01 0.02 0.08 -0.04 2.02 2.06 2z8yP1 PRO 281 HG2 -0.04 0.01 0.11 -0.04 2.03 2.07 2z8yP1 PRO 281 HG3 -0.02 0.03 0.08 -0.04 2.03 2.07 2z8yP1 PRO 281 HD2 -0.08 0.03 0.20 -0.04 3.68 3.79 2z8yP1 PRO 281 HD3 -0.03 0.17 0.20 -0.04 3.65 3.95 2z8yP1 LEU 282 H 0.02 0.16 0.13 -0.55 8.37 8.14 2z8yP1 LEU 282 HA 0.03 0.18 0.90 -0.75 4.35 4.71 2z8yP1 LEU 282 HB2 0.10 -0.06 0.02 -0.04 1.64 1.66 2z8yP1 LEU 282 HB3 0.13 0.09 -0.15 -0.04 1.64 1.66 2z8yP1 LEU 282 HG 0.03 0.03 -0.36 -0.04 1.64 1.29 2z8yP1 LEU 282 HD13 0.14 0.00 -0.12 -0.04 0.93 0.92 2z8yP1 LEU 282 HD23 0.19 0.04 -0.12 -0.04 0.89 0.95 2z8yP1 PRO 283 HA 0.01 0.11 0.53 -0.51 4.44 4.58 2z8yP1 PRO 283 HB2 0.01 -0.08 -0.13 -0.04 2.28 2.04 2z8yP1 PRO 283 HB3 0.01 0.03 0.10 -0.04 2.02 2.11 2z8yP1 PRO 283 HG2 0.02 0.04 0.01 -0.04 2.03 2.05 2z8yP1 PRO 283 HG3 0.01 0.07 0.04 -0.04 2.03 2.11 2z8yP1 PRO 283 HD2 0.04 0.12 0.16 -0.04 3.68 3.96 2z8yP1 PRO 283 HD3 0.01 0.22 0.01 -0.04 3.65 3.85 2z8yP1 GLU 284 H 0.01 0.15 0.17 -0.55 8.60 8.38 2z8yP1 GLU 284 HA 0.02 0.17 0.35 -0.75 4.29 4.08 2z8yP1 GLU 284 HB2 -0.00 0.10 0.06 -0.04 2.09 2.21 2z8yP1 GLU 284 HB3 0.01 0.05 0.12 -0.04 1.99 2.13 2z8yP1 GLU 284 HG2 0.00 0.00 0.14 -0.04 2.34 2.45 2z8yP1 GLU 284 HG3 -0.00 -0.18 0.18 -0.04 2.34 2.30 2z8yP1 ASP 285 H -0.00 -0.04 -0.27 -0.55 8.40 7.54 2z8yP1 ASP 285 HA -0.06 0.33 0.59 -0.75 4.63 4.75 2z8yP1 ASP 285 HB2 -0.05 -0.00 0.19 -0.04 2.71 2.81 2z8yP1 ASP 285 HB3 -0.02 0.02 0.07 -0.04 2.70 2.72 2z8yP1 LYS 286 H 0.01 0.41 -0.75 -0.55 8.42 7.53 2z8yP1 LYS 286 HA -0.07 0.05 0.71 -0.75 4.32 4.26 2z8yP1 LYS 286 HB2 0.06 0.03 -0.11 -0.04 1.87 1.81 2z8yP1 LYS 286 HB3 0.13 0.02 0.10 -0.04 1.79 2.00 2z8yP1 LYS 286 HG2 -0.01 -0.01 -0.54 -0.04 1.46 0.86 2z8yP1 LYS 286 HG3 0.03 -0.02 -0.15 -0.04 1.46 1.29 2z8yP1 LYS 286 HD2 0.02 0.03 -0.10 -0.04 1.69 1.59 2z8yP1 LYS 286 HD3 -0.01 -0.02 -0.52 -0.04 1.68 1.09 2z8yP1 LYS 286 HE2 0.08 0.01 -0.06 -0.04 2.99 2.98 2z8yP1 LYS 286 HE3 0.14 -0.01 -0.06 -0.04 2.99 3.02 2z8yP1 GLN 287 H 0.01 0.29 -0.00 -0.55 8.47 8.22 2z8yP1 GLN 287 HA 0.36 0.21 0.88 -0.75 4.36 5.07 2z8yP1 GLN 287 HB2 0.22 0.03 0.09 -0.04 2.15 2.46 2z8yP1 GLN 287 HB3 0.20 -0.03 -0.08 -0.04 2.02 2.06 2z8yP1 GLN 287 HG2 0.08 -0.02 -0.04 -0.04 2.40 2.38 2z8yP1 GLN 287 HG3 0.06 -0.08 0.05 -0.04 2.39 2.38 2z8yP1 GLN 287 HE21 0.01 -0.03 0.10 -0.04 6.97 7.01 2z8yP1 GLN 287 HE22 0.01 0.54 0.29 -0.04 7.69 8.49 2z8yP1 ILE 288 H 0.35 0.73 0.28 -0.55 8.25 9.07 2z8yP1 ILE 288 HA 0.07 0.25 0.96 -0.75 4.18 4.70 2z8yP1 ILE 288 HB 0.27 -0.15 0.17 -0.04 1.89 2.14 2z8yP1 ILE 288 HG12 -0.23 0.05 -0.09 -0.04 1.49 1.18 2z8yP1 ILE 288 HG13 -0.02 -0.11 -0.42 -0.04 1.21 0.62 2z8yP1 ILE 288 HG23 0.11 0.09 -0.11 -0.04 0.93 0.99 2z8yP1 ILE 288 HD13 -0.46 -0.01 -0.09 -0.04 0.88 0.28 2z8yP1 PRO 289 HA -0.15 -0.07 0.43 -0.51 4.44 4.14 2z8yP1 PRO 289 HB2 0.03 0.17 0.12 -0.04 2.28 2.55 2z8yP1 PRO 289 HB3 -0.09 -0.00 0.13 -0.04 2.02 2.01 2z8yP1 PRO 289 HG2 0.01 0.10 0.15 -0.04 2.03 2.25 2z8yP1 PRO 289 HG3 -0.02 -0.04 0.11 -0.04 2.03 2.03 2z8yP1 PRO 289 HD2 0.06 0.18 0.21 -0.04 3.68 4.09 2z8yP1 PRO 289 HD3 0.05 0.12 0.03 -0.04 3.65 3.80 2z8yP1 ASP 290 H -0.58 0.06 0.14 -0.55 8.40 7.47 2z8yP1 ASP 290 HA -0.20 0.00 0.35 -0.75 4.63 4.03 2z8yP1 ASP 290 HB2 -0.08 0.23 -0.38 -0.04 2.71 2.44 2z8yP1 ASP 290 HB3 -0.54 0.10 0.05 -0.04 2.70 2.27 2z8yP1 TRP 291 H 0.48 0.33 -0.45 -0.55 7.97 7.78 2z8yP1 TRP 291 HA 0.29 0.21 1.00 -0.75 4.62 5.36 2z8yP1 TRP 291 HB2 0.30 -0.01 0.02 -0.04 3.23 3.49 2z8yP1 TRP 291 HB3 0.28 -0.09 -0.04 -0.04 3.23 3.34 2z8yP1 TRP 291 HD1 0.36 0.04 -0.06 -0.04 7.22 7.52 2z8yP1 TRP 291 HE1 0.27 0.07 -0.02 -0.04 10.20 10.48 2z8yP1 TRP 291 HE3 0.27 -0.11 -0.11 -0.04 7.59 7.59 2z8yP1 TRP 291 HZ2 -0.22 0.09 -0.17 -0.04 7.44 7.10 2z8yP1 TRP 291 HZ3 0.27 -0.06 -0.81 -0.04 7.13 6.48 2z8yP1 TRP 291 HH2 -0.05 0.10 -0.07 -0.04 7.19 7.13 2z8yP1 PHE 292 H 0.57 0.53 0.16 -0.55 8.34 9.05 2z8yP1 PHE 292 HA 0.10 0.34 0.85 -0.75 4.62 5.15 2z8yP1 PHE 292 HB2 0.03 0.05 -0.07 -0.04 3.15 3.12 2z8yP1 PHE 292 HB3 0.18 -0.17 0.22 -0.04 3.06 3.25 2z8yP1 PHE 292 HD2 0.13 0.02 -0.02 -0.04 7.28 7.37 2z8yP1 PHE 292 HE2 0.30 0.00 -0.03 -0.04 7.38 7.61 2z8yP1 PHE 292 HZ 0.09 -0.10 -0.06 -0.04 7.32 7.20 2z8yP1 PHE 293 H -0.54 0.62 0.32 -0.55 8.34 8.18 2z8yP1 PHE 293 HA 0.06 0.12 0.83 -0.75 4.62 4.87 2z8yP1 PHE 293 HB2 0.02 -0.10 0.08 -0.04 3.15 3.10 2z8yP1 PHE 293 HB3 0.08 0.09 -0.39 -0.04 3.06 2.79 2z8yP1 PHE 293 HD2 0.02 0.05 -0.38 -0.04 7.28 6.93 2z8yP1 PHE 293 HE2 -0.08 0.08 -0.29 -0.04 7.38 7.05 2z8yP1 PHE 293 HZ -0.10 0.13 -0.15 -0.04 7.32 7.15 2z8yP1 SER 294 H 0.27 0.15 0.17 -0.55 8.46 8.50 2z8yP1 SER 294 HA -0.05 0.26 0.56 -0.75 4.49 4.51 2z8yP1 SER 294 HB2 0.05 -0.02 0.11 -0.04 3.95 4.05 2z8yP1 SER 294 HB3 0.08 -0.04 0.20 -0.04 3.93 4.13 2z8yP1 VAL 295 H -0.07 0.71 0.16 -0.55 8.24 8.49 2z8yP1 VAL 295 HA 0.05 0.12 0.44 -0.75 4.13 3.99 2z8yP1 VAL 295 HB -0.09 0.02 0.08 -0.04 2.12 2.09 2z8yP1 VAL 295 HG13 -0.03 -0.02 -0.23 -0.04 0.97 0.65 2z8yP1 VAL 295 HG23 0.12 0.02 -0.10 -0.04 0.95 0.96 2z8yP1 GLU 296 H 0.02 0.17 -0.09 -0.55 8.60 8.15 2z8yP1 GLU 296 HA 0.04 0.18 0.34 -0.75 4.29 4.09 2z8yP1 GLU 296 HB2 0.03 -0.03 0.01 -0.04 2.09 2.06 2z8yP1 GLU 296 HB3 0.04 -0.02 0.04 -0.04 1.99 2.01 2z8yP1 GLU 296 HG2 0.01 0.21 -0.26 -0.04 2.34 2.26 2z8yP1 GLU 296 HG3 0.01 -0.04 -0.18 -0.04 2.34 2.10 2z8yP1 ASP 297 H 0.03 0.10 -0.38 -0.55 8.40 7.60 2z8yP1 ASP 297 HA 0.10 0.10 0.42 -0.75 4.63 4.50 2z8yP1 ASP 297 HB2 0.03 0.06 0.00 -0.04 2.71 2.76 2z8yP1 ASP 297 HB3 0.02 0.04 0.05 -0.04 2.70 2.77 2z8yP1 TYR 298 H 0.29 0.20 0.24 -0.55 8.29 8.46 2z8yP1 TYR 298 HA -0.02 0.14 0.27 -0.75 4.56 4.20 2z8yP1 TYR 298 HB2 -0.01 -0.01 0.15 -0.04 3.06 3.14 2z8yP1 TYR 298 HB3 -0.01 0.06 -0.00 -0.04 2.98 2.98 2z8yP1 TYR 298 HD2 -0.01 0.13 0.00 -0.04 7.15 7.23 2z8yP1 TYR 298 HE2 -0.01 0.03 0.01 -0.04 6.85 6.84 2z8yP1 ASP 299 H 0.09 0.04 -0.22 -0.55 8.40 7.76 2z8yP1 ASP 299 HA 0.04 0.16 0.50 -0.75 4.63 4.58 2z8yP1 ASP 299 HB2 0.03 -0.06 0.04 -0.04 2.71 2.68 2z8yP1 ASP 299 HB3 0.02 0.08 0.05 -0.04 2.70 2.81 2z8yP1 LYS 300 H 0.01 0.29 -0.58 -0.55 8.42 7.58 2z8yP1 LYS 300 HA -0.02 0.23 0.88 -0.75 4.32 4.65 2z8yP1 LYS 300 HB2 -0.00 -0.01 -0.05 -0.04 1.87 1.76 2z8yP1 LYS 300 HB3 -0.02 0.01 0.03 -0.04 1.79 1.77 2z8yP1 LYS 300 HG2 -0.01 0.08 -0.07 -0.04 1.46 1.42 2z8yP1 LYS 300 HG3 -0.00 -0.08 -0.29 -0.04 1.46 1.05 2z8yP1 LYS 300 HD2 -0.01 0.04 -0.04 -0.04 1.69 1.65 2z8yP1 LYS 300 HD3 -0.00 0.02 -0.06 -0.04 1.68 1.60 2z8yP1 LYS 300 HE2 0.01 -0.05 -0.06 -0.04 2.99 2.85 2z8yP1 LYS 300 HE3 0.00 0.03 -0.03 -0.04 2.99 2.95 2z8yP1 ILE 301 H -0.07 0.18 -0.07 -0.55 8.25 7.73 2z8yP1 ILE 301 HA -0.13 0.08 0.36 -0.75 4.18 3.73 2z8yP1 ILE 301 HB -0.19 0.05 0.12 -0.04 1.89 1.83 2z8yP1 ILE 301 HG12 -0.23 0.07 -0.07 -0.04 1.49 1.22 2z8yP1 ILE 301 HG13 -0.21 0.14 -0.14 -0.04 1.21 0.96 2z8yP1 ILE 301 HG23 -0.22 0.00 -0.22 -0.04 0.93 0.46 2z8yP1 ILE 301 HD13 -0.80 -0.03 -0.10 -0.04 0.88 -0.08 2z8yP1 VAL 302 H -0.10 0.14 -0.21 -0.55 8.24 7.53 2z8yP1 VAL 302 HA -0.22 0.11 0.27 -0.75 4.13 3.54 2z8yP1 VAL 302 HB -0.07 -0.03 0.06 -0.04 2.12 2.05 2z8yP1 VAL 302 HG13 -0.10 0.04 -0.14 -0.04 0.97 0.72 2z8yP1 VAL 302 HG23 -0.08 0.01 -0.02 -0.04 0.95 0.81 2z8yP1 GLN 303 H -0.07 0.06 -0.18 -0.55 8.47 7.74 2z8yP1 GLN 303 HA -0.06 0.10 0.38 -0.75 4.36 4.02 2z8yP1 GLN 303 HB2 -0.03 0.02 0.09 -0.04 2.15 2.19 2z8yP1 GLN 303 HB3 -0.04 0.00 0.09 -0.04 2.02 2.03 2z8yP1 GLN 303 HG2 -0.04 0.01 -0.20 -0.04 2.40 2.12 2z8yP1 GLN 303 HG3 -0.03 0.05 0.02 -0.04 2.39 2.39 2z8yP1 GLN 303 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.85 2z8yP1 GLN 303 HE22 -0.02 0.04 -0.03 -0.04 7.69 7.63 2z8yP1 ILE 304 H -0.09 0.59 -0.19 -0.55 8.25 8.01 2z8yP1 ILE 304 HA -0.05 0.03 0.37 -0.75 4.18 3.77 2z8yP1 ILE 304 HB -0.03 0.06 0.09 -0.04 1.89 1.96 2z8yP1 ILE 304 HG12 -0.01 -0.01 0.01 -0.04 1.49 1.44 2z8yP1 ILE 304 HG13 -0.03 -0.03 -0.01 -0.04 1.21 1.10 2z8yP1 ILE 304 HG23 0.14 -0.00 -0.06 -0.04 0.93 0.97 2z8yP1 ILE 304 HD13 0.00 -0.03 -0.05 -0.04 0.88 0.77 2z8yP1 ALA 305 H -0.28 0.44 -0.28 -0.55 8.40 7.73 2z8yP1 ALA 305 HA -0.33 0.02 0.30 -0.75 4.34 3.58 2z8yP1 ALA 305 HB3 -1.26 -0.00 0.00 -0.04 1.41 0.11 2z8yP1 MET 306 H -0.30 0.56 -0.02 -0.55 8.47 8.16 2z8yP1 MET 306 HA 0.03 0.08 0.54 -0.75 4.52 4.41 2z8yP1 MET 306 HB2 -0.04 0.00 0.14 -0.04 2.15 2.21 2z8yP1 MET 306 HB3 0.06 0.13 0.02 -0.04 2.03 2.20 2z8yP1 MET 306 HG2 0.30 0.04 -0.06 -0.04 2.63 2.86 2z8yP1 MET 306 HG3 -0.13 0.02 -0.02 -0.04 2.56 2.40 2z8yP1 MET 306 HE3 0.15 0.02 -0.10 -0.04 2.10 2.13 2z8yP1 GLU 307 H -0.08 0.57 -0.06 -0.55 8.60 8.49 2z8yP1 GLU 307 HA -0.03 0.10 0.33 -0.75 4.29 3.93 2z8yP1 GLU 307 HB2 -0.05 0.06 0.15 -0.04 2.09 2.21 2z8yP1 GLU 307 HB3 -0.05 -0.02 -0.08 -0.04 1.99 1.79 2z8yP1 GLU 307 HG2 -0.04 -0.01 0.01 -0.04 2.34 2.25 2z8yP1 GLU 307 HG3 -0.03 0.03 0.03 -0.04 2.34 2.32 2z8yP1 THR 308 H -0.06 0.57 -0.13 -0.55 8.28 8.10 2z8yP1 THR 308 HA -0.08 -0.05 0.37 -0.75 4.39 3.88 2z8yP1 THR 308 HB -0.02 0.04 0.13 -0.04 4.32 4.43 2z8yP1 THR 308 HG23 -0.01 -0.04 -0.05 -0.04 1.22 1.08 2z8yP1 ARG 309 H -0.03 0.35 -0.41 -0.55 8.46 7.83 2z8yP1 ARG 309 HA 0.04 0.07 0.34 -0.75 4.34 4.03 2z8yP1 ARG 309 HB2 0.23 0.01 0.06 -0.04 1.90 2.16 2z8yP1 ARG 309 HB3 0.19 -0.10 0.05 -0.04 1.80 1.90 2z8yP1 ARG 309 HG2 0.35 -0.08 -0.39 -0.04 1.67 1.50 2z8yP1 ARG 309 HG3 0.18 0.01 -0.13 -0.04 1.67 1.68 2z8yP1 ARG 309 HD2 0.15 0.02 0.21 -0.04 3.22 3.56 2z8yP1 ARG 309 HD3 0.27 0.00 0.13 -0.04 3.22 3.58 2z8yP1 GLY 310 H -0.01 0.38 -0.26 -0.55 8.43 8.00 2z8yP1 GLY 310 HA2 -0.04 -0.04 0.26 -0.51 4.01 3.69 2z8yP1 GLY 310 HA3 -0.03 0.13 0.73 -0.51 4.01 4.33 2z8yP1 ILE 311 H 0.04 0.31 0.07 -0.55 8.25 8.12 2z8yP1 ILE 311 HA -0.06 0.16 0.60 -0.75 4.18 4.13 2z8yP1 ILE 311 HB 0.18 -0.18 0.04 -0.04 1.89 1.89 2z8yP1 ILE 311 HG12 0.11 0.14 -0.10 -0.04 1.49 1.60 2z8yP1 ILE 311 HG13 0.19 -0.04 -0.04 -0.04 1.21 1.29 2z8yP1 ILE 311 HG23 0.05 0.00 -0.16 -0.04 0.93 0.79 2z8yP1 ILE 311 HD13 0.48 0.00 -0.12 -0.04 0.88 1.19 2z8yP1 LYS 312 H -0.10 0.33 0.20 -0.55 8.42 8.30 2z8yP1 LYS 312 HA -0.01 0.11 0.62 -0.75 4.32 4.29 2z8yP1 LYS 312 HB2 -0.05 -0.04 -0.03 -0.04 1.87 1.70 2z8yP1 LYS 312 HB3 -0.03 -0.05 0.04 -0.04 1.79 1.71 2z8yP1 LYS 312 HG2 -0.04 0.04 -0.35 -0.04 1.46 1.07 2z8yP1 LYS 312 HG3 -0.07 0.15 -0.36 -0.04 1.46 1.14 2z8yP1 LYS 312 HD2 -0.04 -0.09 -0.07 -0.04 1.69 1.45 2z8yP1 LYS 312 HD3 -0.05 0.03 -0.07 -0.04 1.68 1.55 2z8yP1 LYS 312 HE2 -0.08 0.07 -0.00 -0.04 2.99 2.93 2z8yP1 LYS 312 HE3 -0.05 -0.07 -0.06 -0.04 2.99 2.77 2z8yP1 LEU 313 H 0.01 0.25 0.13 -0.55 8.37 8.22 2z8yP1 LEU 313 HA -0.02 0.17 0.50 -0.75 4.35 4.25 2z8yP1 LEU 313 HB2 0.03 -0.13 0.06 -0.04 1.64 1.56 2z8yP1 LEU 313 HB3 0.01 0.19 0.13 -0.04 1.64 1.93 2z8yP1 LEU 313 HG 0.05 -0.11 -0.08 -0.04 1.64 1.46 2z8yP1 LEU 313 HD13 0.07 -0.02 0.00 -0.04 0.93 0.94 2z8yP1 LEU 313 HD23 0.06 0.04 -0.01 -0.04 0.89 0.94 2z8yP1 THR 314 H -0.00 0.22 -0.03 -0.55 8.28 7.91 2z8yP1 THR 314 HA 0.01 0.21 0.57 -0.75 4.39 4.43 2z8yP1 THR 314 HB -0.00 -0.04 0.18 -0.04 4.32 4.42 2z8yP1 THR 314 HG23 -0.00 0.01 0.03 -0.04 1.22 1.22 2z8yP1 LYS 315 H 0.03 0.18 -0.19 -0.55 8.42 7.88 2z8yP1 LYS 315 HA 0.01 0.07 0.52 -0.75 4.32 4.16 2z8yP1 LYS 315 HB2 0.04 -0.03 0.07 -0.04 1.87 1.91 2z8yP1 LYS 315 HB3 0.05 0.08 0.04 -0.04 1.79 1.92 2z8yP1 LYS 315 HG2 0.07 0.03 -0.01 -0.04 1.46 1.51 2z8yP1 LYS 315 HG3 0.03 -0.06 0.07 -0.04 1.46 1.46 2z8yP1 LYS 315 HD2 0.07 0.10 0.04 -0.04 1.69 1.86 2z8yP1 LYS 315 HD3 0.08 0.01 0.01 -0.04 1.68 1.75 2z8yP1 LYS 315 HE2 0.04 -0.05 -0.01 -0.04 2.99 2.93 2z8yP1 LYS 315 HE3 0.04 -0.13 0.02 -0.04 2.99 2.88 2z8yP1 ILE 316 H -0.00 0.14 0.13 -0.55 8.25 7.97 2z8yP1 ILE 316 HA -0.02 0.00 0.30 -0.75 4.18 3.70 2z8yP1 ILE 316 HB 0.04 -0.00 -0.05 -0.04 1.89 1.84 2z8yP1 ILE 316 HG12 0.03 0.06 -0.07 -0.04 1.49 1.47 2z8yP1 ILE 316 HG13 -0.08 -0.05 -0.15 -0.04 1.21 0.89 2z8yP1 ILE 316 HG23 0.08 0.04 -0.06 -0.04 0.93 0.94 2z8yP1 ILE 316 HD13 -0.06 -0.02 -0.10 -0.04 0.88 0.66 2z8yP1 LYS 317 H -0.02 0.09 0.07 -0.55 8.42 8.00 2z8yP1 LYS 317 HA -0.02 0.18 0.68 -0.75 4.32 4.41 2z8yP1 LYS 317 HB2 -0.02 -0.04 0.09 -0.04 1.87 1.85 2z8yP1 LYS 317 HB3 -0.02 0.04 0.09 -0.04 1.79 1.87 2z8yP1 LYS 317 HG2 -0.02 0.02 0.08 -0.04 1.46 1.50 2z8yP1 LYS 317 HG3 -0.03 -0.02 0.14 -0.04 1.46 1.51 2z8yP1 LYS 317 HD2 -0.02 -0.04 0.04 -0.04 1.69 1.63 2z8yP1 LYS 317 HD3 -0.02 0.01 0.03 -0.04 1.68 1.66 2z8yP1 LYS 317 HE2 -0.02 -0.03 0.02 -0.04 2.99 2.92 2z8yP1 LYS 317 HE3 -0.01 0.03 0.02 -0.04 2.99 2.98 2z8yP1 LEU 318 H -0.05 0.78 -0.23 -0.55 8.37 8.33 2z8yP1 LEU 318 HA -0.10 0.02 0.67 -0.75 4.35 4.18 2z8yP1 LEU 318 HB2 -0.15 0.09 -0.02 -0.04 1.64 1.52 2z8yP1 LEU 318 HB3 -0.22 0.10 -0.11 -0.04 1.64 1.37 2z8yP1 LEU 318 HG -0.19 -0.04 -0.12 -0.04 1.64 1.25 2z8yP1 LEU 318 HD13 -0.62 0.02 -0.10 -0.04 0.93 0.19 2z8yP1 LEU 318 HD23 -0.22 -0.02 -0.23 -0.04 0.89 0.37 2z8yP1 ASP 319 H -0.06 0.04 -0.08 -0.55 8.40 7.75 2z8yP1 ASP 319 HA -0.03 0.16 0.58 -0.75 4.63 4.58 2z8yP1 ASP 319 HB2 -0.04 -0.02 0.07 -0.04 2.71 2.68 2z8yP1 ASP 319 HB3 -0.05 -0.19 0.13 -0.04 2.70 2.55 2z8yP1 LEU 320 H -0.06 -0.05 -0.01 -0.55 8.37 7.71 2z8yP1 LEU 320 HA -0.05 -0.09 0.38 -0.75 4.35 3.84 2z8yP1 LEU 320 HB2 -0.04 0.50 0.09 -0.04 1.64 2.15 2z8yP1 LEU 320 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.53 2z8yP1 LEU 320 HG -0.17 -0.04 -0.44 -0.04 1.64 0.95 2z8yP1 LEU 320 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.64 2z8yP1 LEU 320 HD23 -0.06 -0.05 -0.05 -0.04 0.89 0.70 2z8yP1 PRO 321 HA -0.03 0.12 0.47 -0.51 4.44 4.49 2z8yP1 PRO 321 HB2 -0.03 0.10 -0.26 -0.04 2.28 2.05 2z8yP1 PRO 321 HB3 -0.05 0.04 0.09 -0.04 2.02 2.06 2z8yP1 PRO 321 HG2 -0.07 -0.04 -0.49 -0.04 2.03 1.38 2z8yP1 PRO 321 HG3 -0.10 0.04 -0.06 -0.04 2.03 1.86 2z8yP1 PRO 321 HD2 -0.03 0.05 0.09 -0.04 3.68 3.76 2z8yP1 PRO 321 HD3 -0.08 -0.01 0.13 -0.04 3.65 3.65 2z8yP1 ILE 322 H 0.03 -0.01 -0.36 -0.55 8.25 7.36 2z8yP1 ILE 322 HA -0.03 0.19 0.95 -0.75 4.18 4.53 2z8yP1 ILE 322 HB -0.06 0.10 0.14 -0.04 1.89 2.03 2z8yP1 ILE 322 HG12 0.20 -0.15 -0.09 -0.04 1.49 1.40 2z8yP1 ILE 322 HG13 0.11 0.00 -0.08 -0.04 1.21 1.20 2z8yP1 ILE 322 HG23 0.02 -0.05 -0.13 -0.04 0.93 0.73 2z8yP1 ILE 322 HD13 0.08 0.03 -0.15 -0.04 0.88 0.80 2z8yP1 ASN 323 H -0.16 0.03 0.14 -0.55 8.53 8.00 2z8yP1 ASN 323 HA -0.01 0.17 0.58 -0.75 4.76 4.75 2z8yP1 ASN 323 HB2 -0.62 -0.08 0.15 -0.04 2.88 2.29 2z8yP1 ASN 323 HB3 -0.42 0.05 0.04 -0.04 2.79 2.43 2z8yP1 ASN 323 HD21 0.00 -0.02 0.01 -0.04 7.03 6.98 2z8yP1 ASN 323 HD22 -0.09 -0.03 0.03 -0.04 7.74 7.61 2z8yP1 PHE 324 H 0.21 0.20 0.12 -0.55 8.34 8.31 2z8yP1 PHE 324 HA 0.11 0.28 0.69 -0.75 4.62 4.95 2z8yP1 PHE 324 HB2 0.05 0.04 -0.39 -0.04 3.15 2.81 2z8yP1 PHE 324 HB3 0.09 0.05 0.06 -0.04 3.06 3.22 2z8yP1 PHE 324 HD2 0.15 0.02 -0.22 -0.04 7.28 7.18 2z8yP1 PHE 324 HE2 0.16 -0.01 -0.10 -0.04 7.38 7.39 2z8yP1 PHE 324 HZ 0.08 -0.01 -0.04 -0.04 7.32 7.32 2z8yP1 GLY 325 H -0.11 0.64 0.22 -0.55 8.43 8.63 2z8yP1 GLY 325 HA2 -0.02 0.13 0.45 -0.51 4.01 4.07 2z8yP1 GLY 325 HA3 -0.00 0.22 0.39 -0.51 4.01 4.10 2z8yP1 PRO 326 HA -1.11 0.02 0.46 -0.51 4.44 3.30 2z8yP1 PRO 326 HB2 -0.33 0.05 -0.04 -0.04 2.28 1.92 2z8yP1 PRO 326 HB3 -0.27 -0.02 0.06 -0.04 2.02 1.74 2z8yP1 PRO 326 HG2 -0.21 0.07 0.16 -0.04 2.03 2.00 2z8yP1 PRO 326 HG3 -0.10 0.25 0.09 -0.04 2.03 2.22 2z8yP1 PRO 326 HD2 -0.13 0.23 0.27 -0.04 3.68 4.01 2z8yP1 PRO 326 HD3 -0.10 0.13 0.15 -0.04 3.65 3.79 2z8yP1 ALA 327 H -0.43 0.21 -0.16 -0.55 8.40 7.47 2z8yP1 ALA 327 HA -0.46 0.08 0.23 -0.75 4.34 3.44 2z8yP1 ALA 327 HB3 -0.88 -0.00 -0.01 -0.04 1.41 0.48 2z8yP1 PHE 328 H -0.33 0.49 -0.55 -0.55 8.34 7.40 2z8yP1 PHE 328 HA -0.06 0.04 0.27 -0.75 4.62 4.12 2z8yP1 PHE 328 HB2 -0.12 0.35 -0.21 -0.04 3.15 3.13 2z8yP1 PHE 328 HB3 -0.00 -0.12 -0.05 -0.04 3.06 2.86 2z8yP1 PHE 328 HD2 0.01 0.07 -0.10 -0.04 7.28 7.23 2z8yP1 PHE 328 HE2 -0.01 -0.01 -0.16 -0.04 7.38 7.15 2z8yP1 PHE 328 HZ -0.02 -0.02 -0.06 -0.04 7.32 7.17 2z8yP1 GLU 329 H -0.25 0.52 -0.33 -0.55 8.60 7.99 2z8yP1 GLU 329 HA -0.01 0.08 0.08 -0.75 4.29 3.69 2z8yP1 GLU 329 HB2 -0.22 -0.03 0.03 -0.04 2.09 1.83 2z8yP1 GLU 329 HB3 -0.14 0.12 0.09 -0.04 1.99 2.02 2z8yP1 GLU 329 HG2 -0.03 -0.03 -0.20 -0.04 2.34 2.04 2z8yP1 GLU 329 HG3 0.04 -0.03 -0.02 -0.04 2.34 2.28 2z8yP1 GLY 330 H -0.14 0.29 -0.23 -0.55 8.43 7.81 2z8yP1 GLY 330 HA2 0.03 0.16 0.80 -0.51 4.01 4.49 2z8yP1 GLY 330 HA3 -0.05 -0.07 0.33 -0.51 4.01 3.71 2z8yP1 GLU 331 H 0.09 0.48 -0.12 -0.55 8.60 8.52 2z8yP1 GLU 331 HA -0.06 0.08 0.82 -0.75 4.29 4.37 2z8yP1 GLU 331 HB2 0.06 -0.03 -0.05 -0.04 2.09 2.02 2z8yP1 GLU 331 HB3 0.05 -0.03 0.02 -0.04 1.99 1.99 2z8yP1 GLU 331 HG2 0.08 0.06 -0.12 -0.04 2.34 2.32 2z8yP1 GLU 331 HG3 0.14 0.13 0.05 -0.04 2.34 2.62 2z8yP1 SER 332 H -0.06 0.10 0.09 -0.55 8.46 8.05 2z8yP1 SER 332 HA -0.61 0.28 0.89 -0.75 4.49 4.31 2z8yP1 SER 332 HB2 -0.10 0.03 -0.05 -0.04 3.95 3.79 2z8yP1 SER 332 HB3 -0.21 -0.08 -0.05 -0.04 3.93 3.55 2z8yP1 ILE 333 H -1.17 0.21 -0.01 -0.55 8.25 6.73 2z8yP1 ILE 333 HA -0.22 0.14 0.95 -0.75 4.18 4.29 2z8yP1 ILE 333 HB -0.35 0.02 -0.08 -0.04 1.89 1.44 2z8yP1 ILE 333 HG12 -0.07 -0.09 -0.12 -0.04 1.49 1.16 2z8yP1 ILE 333 HG13 -0.14 0.05 -0.60 -0.04 1.21 0.48 2z8yP1 ILE 333 HG23 -0.10 -0.00 -0.29 -0.04 0.93 0.50 2z8yP1 ILE 333 HD13 0.03 0.00 -0.43 -0.04 0.88 0.44 2z8yP1 ARG 334 H -0.13 0.11 -0.02 -0.55 8.46 7.87 2z8yP1 ARG 334 HA -0.14 0.09 0.16 -0.75 4.34 3.69 2z8yP1 ARG 334 HB2 -0.06 0.07 0.13 -0.04 1.90 2.00 2z8yP1 ARG 334 HB3 -0.05 -0.28 0.06 -0.04 1.80 1.49 2z8yP1 ARG 334 HG2 -0.03 0.02 0.08 -0.04 1.67 1.71 2z8yP1 ARG 334 HG3 -0.04 -0.03 0.13 -0.04 1.67 1.69 2z8yP1 ARG 334 HD2 -0.03 0.05 0.01 -0.04 3.22 3.21 2z8yP1 ARG 334 HD3 -0.08 0.03 -0.05 -0.04 3.22 3.08 2z8yP1 LYS 335 H -0.04 0.12 0.12 -0.55 8.42 8.07 2z8yP1 LYS 335 HA 0.02 0.20 0.62 -0.75 4.32 4.41 2z8yP1 LYS 335 HB2 0.03 0.03 0.02 -0.04 1.87 1.91 2z8yP1 LYS 335 HB3 0.07 0.06 0.12 -0.04 1.79 2.01 2z8yP1 LYS 335 HG2 0.05 0.05 0.06 -0.04 1.46 1.58 2z8yP1 LYS 335 HG3 0.00 -0.15 0.15 -0.04 1.46 1.42 2z8yP1 LYS 335 HD2 0.02 0.03 -0.02 -0.04 1.69 1.68 2z8yP1 LYS 335 HD3 0.03 0.03 0.01 -0.04 1.68 1.71 2z8yP1 LYS 335 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 2z8yP1 LYS 335 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 2z8yP1 GLY 336 H -0.02 -0.06 -0.16 -0.55 8.43 7.64 2z8yP1 GLY 336 HA2 -0.01 0.15 0.39 -0.51 4.01 4.04 2z8yP1 GLY 336 HA3 -0.01 -0.05 0.31 -0.51 4.01 3.75 2z8yP1 ASP 337 H -0.02 0.04 0.00 -0.55 8.40 7.88 2z8yP1 ASP 337 HA 0.00 0.14 0.30 -0.75 4.63 4.32 2z8yP1 ASP 337 HB2 -0.02 0.00 0.05 -0.04 2.71 2.70 2z8yP1 ASP 337 HB3 0.01 -0.10 0.23 -0.04 2.70 2.80 2z8yP1 MET 338 H -0.02 0.19 -1.22 -0.55 8.47 6.87 2z8yP1 MET 338 HA 0.00 -0.01 0.41 -0.75 4.52 4.17 2z8yP1 MET 338 HB2 -0.02 0.32 -0.04 -0.04 2.15 2.37 2z8yP1 MET 338 HB3 0.01 0.12 -0.00 -0.04 2.03 2.12 2z8yP1 MET 338 HG2 0.07 -0.07 -0.39 -0.04 2.63 2.19 2z8yP1 MET 338 HG3 0.03 -0.05 -0.11 -0.04 2.56 2.39 2z8yP1 MET 338 HE3 0.09 -0.03 -0.11 -0.04 2.10 2.01 2z8yP1 TYR 339 H 0.13 0.18 0.25 -0.55 8.29 8.31 2z8yP1 TYR 339 HA 0.01 -0.11 0.50 -0.75 4.56 4.21 2z8yP1 TYR 339 HB2 -0.00 -0.20 0.03 -0.04 3.06 2.85 2z8yP1 TYR 339 HB3 0.01 0.20 -0.12 -0.04 2.98 3.03 2z8yP1 TYR 339 HD2 0.03 -0.01 -0.25 -0.04 7.15 6.88 2z8yP1 TYR 339 HE2 0.01 0.01 -0.05 -0.04 6.85 6.78 2z8yP1 VAL 340 H 0.20 0.29 -0.11 -0.55 8.24 8.07 2z8yP1 VAL 340 HA 0.10 0.30 0.27 -0.75 4.13 4.05 2z8yP1 VAL 340 HB 0.47 -0.10 -0.34 -0.04 2.12 2.11 2z8yP1 VAL 340 HG13 0.33 -0.04 -0.37 -0.04 0.97 0.86 2z8yP1 VAL 340 HG23 0.17 0.03 -0.15 -0.04 0.95 0.97 2z8yP1 GLU 341 H 0.15 0.32 -0.03 -0.55 8.60 8.50 2z8yP1 GLU 341 HA 0.17 0.22 0.67 -0.75 4.29 4.60 2z8yP1 GLU 341 HB2 0.15 0.03 -0.27 -0.04 2.09 1.97 2z8yP1 GLU 341 HB3 0.18 -0.03 -0.06 -0.04 1.99 2.04 2z8yP1 GLU 341 HG2 0.28 -0.00 -0.21 -0.04 2.34 2.36 2z8yP1 GLU 341 HG3 0.18 -0.03 -0.20 -0.04 2.34 2.25 2z8yP1 MET 342 H 0.17 0.56 0.16 -0.55 8.47 8.81 2z8yP1 MET 342 HA 0.11 0.16 0.84 -0.75 4.52 4.88 2z8yP1 MET 342 HB2 0.04 -0.13 -0.27 -0.04 2.15 1.75 2z8yP1 MET 342 HB3 0.06 0.13 -0.19 -0.04 2.03 2.00 2z8yP1 MET 342 HG2 0.05 -0.08 0.02 -0.04 2.63 2.58 2z8yP1 MET 342 HG3 -0.02 -0.06 -0.16 -0.04 2.56 2.28 2z8yP1 MET 342 HE3 0.03 -0.01 -0.18 -0.04 2.10 1.90 2z8yP1 GLY 343 H 0.10 0.01 0.07 -0.55 8.43 8.07 2z8yP1 GLY 343 HA2 0.08 0.43 0.30 -0.51 4.01 4.30 2z8yP1 GLY 343 HA3 0.08 0.02 0.04 -0.51 4.01 3.64 2z8yP1 GLY 344 H 0.07 0.10 0.15 -0.55 8.43 8.21 2z8yP1 GLY 344 HA2 0.03 -0.05 0.41 -0.51 4.01 3.89 2z8yP1 GLY 344 HA3 0.04 0.39 0.44 -0.51 4.01 4.37 2z8yP1 ASN 345 H 0.01 0.10 0.04 -0.55 8.53 8.13 2z8yP1 ASN 345 HA -0.01 -0.00 0.32 -0.75 4.76 4.31 2z8yP1 ASN 345 HB2 -0.10 0.24 0.09 -0.04 2.88 3.07 2z8yP1 ASN 345 HB3 -0.05 0.01 0.01 -0.04 2.79 2.71 2z8yP1 ASN 345 HD21 -0.05 -0.02 -0.02 -0.04 7.03 6.90 2z8yP1 ASN 345 HD22 -0.08 0.02 -0.02 -0.04 7.74 7.62 2z8yP1 ARG 346 H -0.04 0.47 -0.11 -0.55 8.46 8.22 2z8yP1 ARG 346 HA 0.00 0.01 0.34 -0.75 4.34 3.94 2z8yP1 ARG 346 HB2 0.04 0.12 0.00 -0.04 1.90 2.03 2z8yP1 ARG 346 HB3 0.05 -0.03 -0.03 -0.04 1.80 1.75 2z8yP1 ARG 346 HG2 0.04 0.00 -0.00 -0.04 1.67 1.66 2z8yP1 ARG 346 HG3 -0.01 -0.04 0.04 -0.04 1.67 1.62 2z8yP1 ARG 346 HD2 0.08 0.03 -0.02 -0.04 3.22 3.27 2z8yP1 ARG 346 HD3 0.03 -0.01 0.00 -0.04 3.22 3.19 2z8yP1 THR 347 H 0.06 -0.01 -0.09 -0.55 8.28 7.69 2z8yP1 THR 347 HA 0.04 0.34 0.99 -0.75 4.39 5.01 2z8yP1 THR 347 HB 0.06 -0.01 -0.03 -0.04 4.32 4.30 2z8yP1 THR 347 HG23 0.07 -0.03 -0.13 -0.04 1.22 1.08 2z8yP1 PRO 348 HA 0.08 0.07 0.65 -0.51 4.44 4.73 2z8yP1 PRO 348 HB2 0.09 -0.08 0.19 -0.04 2.28 2.44 2z8yP1 PRO 348 HB3 0.07 0.05 0.09 -0.04 2.02 2.19 2z8yP1 PRO 348 HG2 0.04 -0.01 0.12 -0.04 2.03 2.14 2z8yP1 PRO 348 HG3 0.04 0.11 0.07 -0.04 2.03 2.21 2z8yP1 PRO 348 HD2 0.06 0.03 0.23 -0.04 3.68 3.96 2z8yP1 PRO 348 HD3 0.04 0.27 0.21 -0.04 3.65 4.14 2z8yP1 ALA 349 H 0.11 0.23 0.26 -0.55 8.40 8.45 2z8yP1 ALA 349 HA 0.05 0.28 0.87 -0.75 4.34 4.79 2z8yP1 ALA 349 HB3 0.03 -0.03 -0.22 -0.04 1.41 1.14 2z8yP1 PHE 350 H -0.26 0.33 0.08 -0.55 8.34 7.94 2z8yP1 PHE 350 HA 0.09 0.32 0.57 -0.75 4.62 4.84 2z8yP1 PHE 350 HB2 0.18 -0.07 0.00 -0.04 3.15 3.22 2z8yP1 PHE 350 HB3 0.07 0.03 -0.28 -0.04 3.06 2.83 2z8yP1 PHE 350 HD2 0.10 -0.03 -0.18 -0.04 7.28 7.13 2z8yP1 PHE 350 HE2 0.00 0.03 -0.18 -0.04 7.38 7.19 2z8yP1 PHE 350 HZ -0.15 0.04 -0.30 -0.04 7.32 6.87 2z8yP1 GLU 351 H 0.61 0.19 -0.04 -0.55 8.60 8.81 2z8yP1 GLU 351 HA -0.00 -0.07 0.58 -0.75 4.29 4.04 2z8yP1 GLU 351 HB2 0.06 0.02 -0.12 -0.04 2.09 2.01 2z8yP1 GLU 351 HB3 0.00 0.11 0.00 -0.04 1.99 2.06 2z8yP1 GLU 351 HG2 0.08 0.10 -0.71 -0.04 2.34 1.76 2z8yP1 GLU 351 HG3 0.09 -0.15 -0.17 -0.04 2.34 2.07 2z8yP1 LEU 352 H 0.21 0.85 0.36 -0.55 8.37 9.24 2z8yP1 LEU 352 HA 0.20 0.07 0.83 -0.75 4.35 4.70 2z8yP1 LEU 352 HB2 0.41 -0.03 -0.07 -0.04 1.64 1.91 2z8yP1 LEU 352 HB3 0.33 -0.01 -0.01 -0.04 1.64 1.90 2z8yP1 LEU 352 HG 0.17 -0.06 -0.64 -0.04 1.64 1.07 2z8yP1 LEU 352 HD13 0.23 -0.07 0.14 -0.04 0.93 1.19 2z8yP1 LEU 352 HD23 0.15 -0.02 -0.20 -0.04 0.89 0.78 2z8yP1 VAL 353 H 0.11 0.13 0.18 -0.55 8.24 8.10 2z8yP1 VAL 353 HA 0.09 0.20 1.09 -0.75 4.13 4.75 2z8yP1 VAL 353 HB 0.04 -0.05 -0.01 -0.04 2.12 2.06 2z8yP1 VAL 353 HG13 0.04 0.01 0.01 -0.04 0.97 1.00 2z8yP1 VAL 353 HG23 0.04 -0.01 -0.15 -0.04 0.95 0.79 2z8yP1 ARG 354 H 0.07 0.51 0.30 -0.55 8.46 8.78 2z8yP1 ARG 354 HA 0.06 0.02 0.80 -0.75 4.34 4.46 2z8yP1 ARG 354 HB2 0.10 -0.07 -0.61 -0.04 1.90 1.28 2z8yP1 ARG 354 HB3 0.08 0.02 -0.18 -0.04 1.80 1.69 2z8yP1 ARG 354 HG2 0.07 0.02 0.15 -0.04 1.67 1.87 2z8yP1 ARG 354 HG3 0.09 -0.01 -0.06 -0.04 1.67 1.64 2z8yP1 ARG 354 HD2 0.05 -0.20 0.19 -0.04 3.22 3.21 2z8yP1 ARG 354 HD3 0.05 -0.02 0.05 -0.04 3.22 3.26 2z8yP1 THR 355 H 0.05 0.12 0.19 -0.55 8.28 8.09 2z8yP1 THR 355 HA 0.08 0.39 0.91 -0.75 4.39 5.02 2z8yP1 THR 355 HB 0.04 -0.03 0.06 -0.04 4.32 4.35 2z8yP1 THR 355 HG23 0.11 0.02 -0.04 -0.04 1.22 1.27 2z8yP1 VAL 356 H 0.11 0.43 0.24 -0.55 8.24 8.47 2z8yP1 VAL 356 HA 0.01 0.14 0.90 -0.75 4.13 4.42 2z8yP1 VAL 356 HB -0.00 -0.04 -0.02 -0.04 2.12 2.02 2z8yP1 VAL 356 HG13 0.04 0.01 -0.25 -0.04 0.97 0.73 2z8yP1 VAL 356 HG23 0.03 0.01 -0.25 -0.04 0.95 0.70 2z8yP1 SER 357 H -0.06 0.11 0.11 -0.55 8.46 8.07 2z8yP1 SER 357 HA -0.34 0.09 0.44 -0.75 4.49 3.93 2z8yP1 SER 357 HB2 -0.13 0.07 0.03 -0.04 3.95 3.87 2z8yP1 SER 357 HB3 -0.09 0.05 0.10 -0.04 3.93 3.95 2z8yP1 GLU 358 H -0.44 0.16 0.10 -0.55 8.60 7.87 2z8yP1 GLU 358 HA -0.13 0.11 0.65 -0.75 4.29 4.18 2z8yP1 GLU 358 HB2 -0.28 0.01 0.09 -0.04 2.09 1.87 2z8yP1 GLU 358 HB3 -0.13 0.00 0.19 -0.04 1.99 2.01 2z8yP1 GLU 358 HG2 -0.03 0.05 -0.10 -0.04 2.34 2.22 2z8yP1 GLU 358 HG3 0.01 0.01 -0.04 -0.04 2.34 2.28 2z8yP1 SER 359 H -0.06 0.23 -0.09 -0.55 8.46 8.00 2z8yP1 SER 359 HA -0.03 0.13 0.38 -0.75 4.49 4.22 2z8yP1 SER 359 HB2 -0.02 0.03 0.04 -0.04 3.95 3.95 2z8yP1 SER 359 HB3 -0.04 0.18 -0.12 -0.04 3.93 3.91 2z8yP1 GLU 360 H -0.03 0.14 -0.02 -0.55 8.60 8.13 2z8yP1 GLU 360 HA 0.00 0.08 0.43 -0.75 4.29 4.05 2z8yP1 GLU 360 HB2 -0.03 -0.04 0.11 -0.04 2.09 2.09 2z8yP1 GLU 360 HB3 -0.00 0.03 -0.03 -0.04 1.99 1.96 2z8yP1 GLU 360 HG2 0.02 0.03 0.07 -0.04 2.34 2.42 2z8yP1 GLU 360 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.33 2z8yP1 ILE 361 H -0.02 -0.05 -0.88 -0.55 8.25 6.75 2z8yP1 ILE 361 HA 0.01 0.15 0.68 -0.75 4.18 4.26 2z8yP1 ILE 361 HB 0.01 0.06 -0.26 -0.04 1.89 1.65 2z8yP1 ILE 361 HG12 0.04 -0.06 -0.49 -0.04 1.49 0.94 2z8yP1 ILE 361 HG13 0.03 0.06 -0.27 -0.04 1.21 0.99 2z8yP1 ILE 361 HG23 -0.01 -0.08 -0.07 -0.04 0.93 0.73 2z8yP1 ILE 361 HD13 0.08 0.01 -0.44 -0.04 0.88 0.48 2z8yP1 THR 362 H 0.01 0.19 0.10 -0.55 8.28 8.03 2z8yP1 THR 362 HA 0.01 0.20 0.72 -0.75 4.39 4.56 2z8yP1 THR 362 HB 0.00 -0.07 -0.00 -0.04 4.32 4.21 2z8yP1 THR 362 HG23 0.00 0.02 -0.01 -0.04 1.22 1.18 2z8yP1 ASP 363 H 0.01 0.18 0.02 -0.55 8.40 8.06 2z8yP1 ASP 363 HA 0.02 -0.02 0.38 -0.75 4.63 4.26 2z8yP1 ASP 363 HB2 0.01 -0.01 0.11 -0.04 2.71 2.78 2z8yP1 ASP 363 HB3 0.01 0.00 0.20 -0.04 2.70 2.86 2z8yP1 GLY 364 H 0.01 0.87 0.61 -0.55 8.43 9.37 2z8yP1 GLY 364 HA2 0.00 0.04 0.29 -0.51 4.01 3.84 2z8yP1 GLY 364 HA3 -0.00 0.09 0.61 -0.51 4.01 4.20 2z8yP1 LYS 365 H 0.00 0.16 0.20 -0.55 8.42 8.23 2z8yP1 LYS 365 HA -0.01 0.22 0.92 -0.75 4.32 4.69 2z8yP1 LYS 365 HB2 -0.00 -0.06 0.02 -0.04 1.87 1.79 2z8yP1 LYS 365 HB3 -0.01 -0.00 -0.01 -0.04 1.79 1.72 2z8yP1 LYS 365 HG2 -0.02 0.00 0.07 -0.04 1.46 1.48 2z8yP1 LYS 365 HG3 -0.01 0.05 -0.03 -0.04 1.46 1.43 2z8yP1 LYS 365 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.63 2z8yP1 LYS 365 HD3 -0.01 -0.03 -0.04 -0.04 1.68 1.56 2z8yP1 LYS 365 HE2 -0.01 0.04 -0.05 -0.04 2.99 2.92 2z8yP1 LYS 365 HE3 -0.01 -0.00 -0.04 -0.04 2.99 2.90 2z8yP1 ILE 366 H -0.02 0.23 0.20 -0.55 8.25 8.11 2z8yP1 ILE 366 HA -0.02 0.27 1.05 -0.75 4.18 4.72 2z8yP1 ILE 366 HB -0.03 -0.02 0.11 -0.04 1.89 1.91 2z8yP1 ILE 366 HG12 -0.01 -0.06 -0.27 -0.04 1.49 1.12 2z8yP1 ILE 366 HG13 -0.01 -0.03 -0.65 -0.04 1.21 0.48 2z8yP1 ILE 366 HG23 -0.01 0.00 -0.03 -0.04 0.93 0.85 2z8yP1 ILE 366 HD13 -0.03 0.01 -0.01 -0.04 0.88 0.81 2z8yP1 GLU 367 H -0.07 0.68 0.38 -0.55 8.60 9.04 2z8yP1 GLU 367 HA -0.05 0.13 0.98 -0.75 4.29 4.59 2z8yP1 GLU 367 HB2 -0.09 0.00 0.05 -0.04 2.09 2.01 2z8yP1 GLU 367 HB3 -0.10 0.04 -0.07 -0.04 1.99 1.81 2z8yP1 GLU 367 HG2 -0.04 0.05 0.10 -0.04 2.34 2.41 2z8yP1 GLU 367 HG3 -0.04 -0.03 -0.39 -0.04 2.34 1.84 2z8yP1 VAL 368 H -0.05 0.21 0.16 -0.55 8.24 8.01 2z8yP1 VAL 368 HA -0.09 0.21 0.82 -0.75 4.13 4.32 2z8yP1 VAL 368 HB 0.01 0.04 0.07 -0.04 2.12 2.19 2z8yP1 VAL 368 HG13 0.13 0.02 -0.25 -0.04 0.97 0.83 2z8yP1 VAL 368 HG23 0.04 -0.03 -0.17 -0.04 0.95 0.75 2z8yP1 ILE 369 H -0.10 0.28 0.21 -0.55 8.25 8.10 2z8yP1 ILE 369 HA -0.04 0.23 0.69 -0.75 4.18 4.30 2z8yP1 ILE 369 HB -0.43 0.12 -0.03 -0.04 1.89 1.51 2z8yP1 ILE 369 HG12 0.07 -0.02 -0.07 -0.04 1.49 1.43 2z8yP1 ILE 369 HG13 0.02 0.04 -0.03 -0.04 1.21 1.19 2z8yP1 ILE 369 HG23 0.22 -0.11 0.11 -0.04 0.93 1.11 2z8yP1 ILE 369 HD13 -0.17 0.03 -0.21 -0.04 0.88 0.49 2z8yP1 GLY 370 H 0.07 -0.39 0.22 -0.55 8.43 7.78 2z8yP1 GLY 370 HA2 0.08 0.09 0.41 -0.51 4.01 4.07 2z8yP1 GLY 370 HA3 0.09 -0.06 0.20 -0.51 4.01 3.73 2z8yP1 PRO 371 HA 0.09 0.12 0.71 -0.51 4.44 4.84 2z8yP1 PRO 371 HB2 0.12 0.16 -0.12 -0.04 2.28 2.40 2z8yP1 PRO 371 HB3 0.08 0.04 0.07 -0.04 2.02 2.18 2z8yP1 PRO 371 HG2 0.14 0.10 0.03 -0.04 2.03 2.25 2z8yP1 PRO 371 HG3 0.09 0.06 0.06 -0.04 2.03 2.20 2z8yP1 PRO 371 HD2 0.11 0.05 0.06 -0.04 3.68 3.86 2z8yP1 PRO 371 HD3 0.09 0.05 0.08 -0.04 3.65 3.83 2z8yP1 ASP 372 H 0.07 0.11 0.13 -0.55 8.40 8.17 2z8yP1 ASP 372 HA 0.27 0.21 0.79 -0.75 4.63 5.16 2z8yP1 ASP 372 HB2 0.02 0.12 0.07 -0.04 2.71 2.87 2z8yP1 ASP 372 HB3 -0.08 -0.02 0.06 -0.04 2.70 2.62 2z8yP1 ILE 373 H -0.62 0.04 0.16 -0.55 8.25 7.27 2z8yP1 ILE 373 HA -0.10 0.17 0.12 -0.75 4.18 3.61 2z8yP1 ILE 373 HB -0.82 -0.22 0.15 -0.04 1.89 0.96 2z8yP1 ILE 373 HG12 -0.10 0.09 -0.06 -0.04 1.49 1.38 2z8yP1 ILE 373 HG13 -0.72 -0.03 -0.08 -0.04 1.21 0.33 2z8yP1 ILE 373 HG23 -0.32 0.07 -0.11 -0.04 0.93 0.53 2z8yP1 ILE 373 HD13 -0.01 -0.00 -0.19 -0.04 0.88 0.64 2z8yP1 ASP 374 H -0.11 -0.14 -0.58 -0.55 8.40 7.02 2z8yP1 ASP 374 HA 0.01 0.30 0.75 -0.75 4.63 4.93 2z8yP1 ASP 374 HB2 -0.04 0.04 0.07 -0.04 2.71 2.75 2z8yP1 ASP 374 HB3 -0.10 0.07 -0.04 -0.04 2.70 2.59 2z8yP1 GLN 375 H 0.01 0.17 -0.10 -0.55 8.47 8.00 2z8yP1 GLN 375 HA 0.03 0.12 0.69 -0.75 4.36 4.44 2z8yP1 GLN 375 HB2 0.06 0.04 0.10 -0.04 2.15 2.31 2z8yP1 GLN 375 HB3 0.04 0.00 0.18 -0.04 2.02 2.21 2z8yP1 GLN 375 HG2 0.02 0.06 0.05 -0.04 2.40 2.49 2z8yP1 GLN 375 HG3 0.01 -0.09 -0.01 -0.04 2.39 2.25 2z8yP1 GLN 375 HE21 0.03 0.08 0.04 -0.04 6.97 7.08 2z8yP1 GLN 375 HE22 0.03 0.04 0.04 -0.04 7.69 7.76 2z8yP1 ILE 376 H 0.09 0.22 -0.49 -0.55 8.25 7.53 2z8yP1 ILE 376 HA 0.07 0.18 1.00 -0.75 4.18 4.68 2z8yP1 ILE 376 HB 0.11 0.08 0.05 -0.04 1.89 2.08 2z8yP1 ILE 376 HG12 0.23 -0.07 -0.27 -0.04 1.49 1.34 2z8yP1 ILE 376 HG13 0.15 -0.06 -0.20 -0.04 1.21 1.06 2z8yP1 ILE 376 HG23 0.12 -0.05 -0.28 -0.04 0.93 0.68 2z8yP1 ILE 376 HD13 0.27 0.00 -0.22 -0.04 0.88 0.89 2z8yP1 PRO 377 HA 0.01 0.04 0.34 -0.51 4.44 4.32 2z8yP1 PRO 377 HB2 -0.04 0.11 0.05 -0.04 2.28 2.36 2z8yP1 PRO 377 HB3 -0.00 -0.05 0.09 -0.04 2.02 2.03 2z8yP1 PRO 377 HG2 -0.00 0.10 0.08 -0.04 2.03 2.16 2z8yP1 PRO 377 HG3 0.01 -0.03 0.09 -0.04 2.03 2.07 2z8yP1 PRO 377 HD2 0.04 0.08 0.21 -0.04 3.68 3.97 2z8yP1 PRO 377 HD3 0.04 0.09 0.25 -0.04 3.65 3.99 2z8yP1 GLU 378 H -0.13 -0.00 0.19 -0.55 8.60 8.11 2z8yP1 GLU 378 HA -1.13 0.15 0.51 -0.75 4.29 3.07 2z8yP1 GLU 378 HB2 -0.16 -0.05 0.21 -0.04 2.09 2.05 2z8yP1 GLU 378 HB3 -0.17 0.01 0.04 -0.04 1.99 1.83 2z8yP1 GLU 378 HG2 -0.22 0.02 0.13 -0.04 2.34 2.23 2z8yP1 GLU 378 HG3 -0.60 0.03 0.18 -0.04 2.34 1.91 2z8yP1 GLY 379 H -0.33 0.15 0.27 -0.55 8.43 7.97 2z8yP1 GLY 379 HA2 -0.08 0.19 0.38 -0.51 4.01 3.99 2z8yP1 GLY 379 HA3 -0.08 -0.12 0.26 -0.51 4.01 3.56 2z8yP1 SER 380 H -0.13 0.23 -0.77 -0.55 8.46 7.25 2z8yP1 SER 380 HA 0.01 -0.06 0.33 -0.75 4.49 4.02 2z8yP1 SER 380 HB2 0.00 0.17 0.17 -0.04 3.95 4.25 2z8yP1 SER 380 HB3 0.06 -0.02 0.09 -0.04 3.93 4.02 2z8yP1 LYS 381 H 0.07 0.15 0.23 -0.55 8.42 8.32 2z8yP1 LYS 381 HA 0.10 0.18 0.77 -0.75 4.32 4.62 2z8yP1 LYS 381 HB2 0.07 -0.08 -0.01 -0.04 1.87 1.80 2z8yP1 LYS 381 HB3 0.08 -0.10 0.21 -0.04 1.79 1.94 2z8yP1 LYS 381 HG2 0.07 0.11 0.01 -0.04 1.46 1.60 2z8yP1 LYS 381 HG3 0.05 -0.01 -0.13 -0.04 1.46 1.33 2z8yP1 LYS 381 HD2 0.05 -0.04 -0.07 -0.04 1.69 1.59 2z8yP1 LYS 381 HD3 0.06 -0.05 -0.05 -0.04 1.68 1.60 2z8yP1 LYS 381 HE2 0.03 0.04 -0.03 -0.04 2.99 2.99 2z8yP1 LYS 381 HE3 0.03 -0.03 -0.04 -0.04 2.99 2.91 2z8yP1 LEU 382 H 0.09 0.38 0.37 -0.55 8.37 8.67 2z8yP1 LEU 382 HA 0.08 -0.02 0.38 -0.75 4.35 4.04 2z8yP1 LEU 382 HB2 0.12 -0.07 -0.33 -0.04 1.64 1.33 2z8yP1 LEU 382 HB3 0.05 0.26 0.10 -0.04 1.64 2.02 2z8yP1 LEU 382 HG 0.13 -0.09 0.09 -0.04 1.64 1.74 2z8yP1 LEU 382 HD13 0.12 0.07 0.19 -0.04 0.93 1.27 2z8yP1 LEU 382 HD23 0.31 -0.02 -0.16 -0.04 0.89 0.98 2z8yP1 PRO 383 HA 0.06 0.06 0.53 -0.51 4.44 4.58 2z8yP1 PRO 383 HB2 0.09 -0.05 0.00 -0.04 2.28 2.27 2z8yP1 PRO 383 HB3 0.07 -0.00 0.15 -0.04 2.02 2.20 2z8yP1 PRO 383 HG2 0.08 -0.04 -0.16 -0.04 2.03 1.87 2z8yP1 PRO 383 HG3 0.08 -0.11 -0.05 -0.04 2.03 1.90 2z8yP1 PRO 383 HD2 0.07 0.17 0.30 -0.04 3.68 4.19 2z8yP1 PRO 383 HD3 0.07 0.08 0.12 -0.04 3.65 3.87 2z8yP1 LEU 384 H 0.05 0.29 0.19 -0.55 8.37 8.35 2z8yP1 LEU 384 HA -0.03 0.86 0.69 -0.75 4.35 5.12 2z8yP1 LEU 384 HB2 -0.06 0.27 -0.21 -0.04 1.64 1.60 2z8yP1 LEU 384 HB3 -0.07 -0.11 -0.22 -0.04 1.64 1.20 2z8yP1 LEU 384 HG -0.17 -0.11 -0.05 -0.04 1.64 1.27 2z8yP1 LEU 384 HD13 -0.18 0.01 -0.04 -0.04 0.93 0.68 2z8yP1 LEU 384 HD23 -0.12 0.01 -0.13 -0.04 0.89 0.61 2z8yP1 GLY 385 H -0.09 0.13 0.25 -0.55 8.43 8.17 2z8yP1 GLY 385 HA2 -1.08 0.14 0.51 -0.51 4.01 3.07 2z8yP1 GLY 385 HA3 -0.48 0.03 0.24 -0.51 4.01 3.29 2z8yP1 ILE 386 H -0.43 0.13 0.06 -0.55 8.25 7.46 2z8yP1 ILE 386 HA -0.01 0.37 1.05 -0.75 4.18 4.84 2z8yP1 ILE 386 HB -0.05 -0.11 0.21 -0.04 1.89 1.90 2z8yP1 ILE 386 HG12 -0.14 0.05 -0.15 -0.04 1.49 1.21 2z8yP1 ILE 386 HG13 -0.17 -0.21 -0.52 -0.04 1.21 0.27 2z8yP1 ILE 386 HG23 0.01 0.02 -0.16 -0.04 0.93 0.76 2z8yP1 ILE 386 HD13 -0.17 0.06 -0.09 -0.04 0.88 0.64 2z8yP1 LEU 387 H 0.08 0.60 0.39 -0.55 8.37 8.89 2z8yP1 LEU 387 HA 0.15 0.38 1.33 -0.75 4.35 5.46 2z8yP1 LEU 387 HB2 0.22 -0.02 -0.08 -0.04 1.64 1.72 2z8yP1 LEU 387 HB3 0.13 -0.07 0.11 -0.04 1.64 1.77 2z8yP1 LEU 387 HG 0.09 0.05 -0.41 -0.04 1.64 1.32 2z8yP1 LEU 387 HD13 0.14 0.01 -0.19 -0.04 0.93 0.85 2z8yP1 LEU 387 HD23 0.06 -0.01 -0.13 -0.04 0.89 0.77 2z8yP1 VAL 388 H 0.10 0.70 0.39 -0.55 8.24 8.88 2z8yP1 VAL 388 HA 0.06 0.45 1.45 -0.75 4.13 5.34 2z8yP1 VAL 388 HB 0.07 -0.11 0.11 -0.04 2.12 2.15 2z8yP1 VAL 388 HG13 0.06 0.03 -0.04 -0.04 0.97 0.98 2z8yP1 VAL 388 HG23 0.08 0.04 -0.18 -0.04 0.95 0.85 2z8yP1 ASP 389 H 0.05 0.52 0.48 -0.55 8.40 8.90 2z8yP1 ASP 389 HA 0.07 0.35 0.95 -0.75 4.63 5.25 2z8yP1 ASP 389 HB2 0.05 -0.07 0.03 -0.04 2.71 2.68 2z8yP1 ASP 389 HB3 0.06 -0.03 -0.04 -0.04 2.70 2.64 2z8yP1 ILE 390 H 0.08 0.19 0.23 -0.55 8.25 8.20 2z8yP1 ILE 390 HA 0.08 0.38 0.88 -0.75 4.18 4.77 2z8yP1 ILE 390 HB 0.06 -0.08 -0.72 -0.04 1.89 1.11 2z8yP1 ILE 390 HG12 0.06 -0.04 -0.09 -0.04 1.49 1.38 2z8yP1 ILE 390 HG13 0.06 0.16 0.02 -0.04 1.21 1.41 2z8yP1 ILE 390 HG23 0.05 0.07 -0.16 -0.04 0.93 0.84 2z8yP1 ILE 390 HD13 0.06 -0.02 -0.13 -0.04 0.88 0.74 2z8yP1 TYR 391 H 0.11 0.34 0.29 -0.55 8.29 8.48 2z8yP1 TYR 391 HA 0.01 0.02 0.58 -0.75 4.56 4.41 2z8yP1 TYR 391 HB2 0.01 0.16 0.02 -0.04 3.06 3.20 2z8yP1 TYR 391 HB3 0.01 -0.06 -0.10 -0.04 2.98 2.78 2z8yP1 TYR 391 HD2 -0.00 -0.03 -0.10 -0.04 7.15 6.98 2z8yP1 TYR 391 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.74 2z8yP1 GLY 392 H -0.92 0.25 0.33 -0.55 8.43 7.55 2z8yP1 GLY 392 HA2 -0.09 0.04 0.45 -0.51 4.01 3.89 2z8yP1 GLY 392 HA3 -0.11 0.32 0.44 -0.51 4.01 4.15 2z8yP1 ARG 393 H -0.06 0.24 0.16 -0.55 8.46 8.25 2z8yP1 ARG 393 HA -0.11 0.06 0.37 -0.75 4.34 3.91 2z8yP1 ARG 393 HB2 0.02 -0.02 0.15 -0.04 1.90 2.01 2z8yP1 ARG 393 HB3 0.01 -0.02 0.19 -0.04 1.80 1.93 2z8yP1 ARG 393 HG2 -0.01 0.09 0.09 -0.04 1.67 1.79 2z8yP1 ARG 393 HG3 -0.00 -0.02 0.15 -0.04 1.67 1.76 2z8yP1 ARG 393 HD2 -0.00 0.05 0.05 -0.04 3.22 3.28 2z8yP1 ARG 393 HD3 0.01 -0.03 0.06 -0.04 3.22 3.22 2z8yP1 LYS 394 H -0.14 0.04 -0.83 -0.55 8.42 6.94 2z8yP1 LYS 394 HA -0.03 0.08 0.43 -0.75 4.32 4.05 2z8yP1 LYS 394 HB2 -0.00 0.02 -0.21 -0.04 1.87 1.64 2z8yP1 LYS 394 HB3 0.05 0.02 -0.02 -0.04 1.79 1.80 2z8yP1 LYS 394 HG2 0.06 -0.09 0.09 -0.04 1.46 1.49 2z8yP1 LYS 394 HG3 0.01 -0.01 0.11 -0.04 1.46 1.53 2z8yP1 LYS 394 HD2 0.05 0.01 -0.03 -0.04 1.69 1.69 2z8yP1 LYS 394 HD3 0.05 0.06 0.07 -0.04 1.68 1.82 2z8yP1 LYS 394 HE2 -0.01 -0.09 0.01 -0.04 2.99 2.85 2z8yP1 LYS 394 HE3 0.01 0.00 -0.05 -0.04 2.99 2.92 2z8yP1 MET 395 H -0.24 0.54 0.26 -0.55 8.47 8.48 2z8yP1 MET 395 HA -0.03 0.06 0.38 -0.75 4.52 4.18 2z8yP1 MET 395 HB2 -0.34 -0.05 0.33 -0.04 2.15 2.05 2z8yP1 MET 395 HB3 -0.45 -0.01 0.22 -0.04 2.03 1.75 2z8yP1 MET 395 HG2 -0.10 -0.09 -0.06 -0.04 2.63 2.34 2z8yP1 MET 395 HG3 -0.16 0.01 -0.13 -0.04 2.56 2.24 2z8yP1 MET 395 HE3 0.01 -0.01 -0.08 -0.04 2.10 1.97 2z8yP1 GLN 396 H -1.24 0.18 0.22 -0.55 8.47 7.08 2z8yP1 GLN 396 HA -0.40 0.24 0.71 -0.75 4.36 4.15 2z8yP1 GLN 396 HB2 -1.69 -0.09 0.06 -0.04 2.15 0.39 2z8yP1 GLN 396 HB3 -0.45 -0.11 0.16 -0.04 2.02 1.57 2z8yP1 GLN 396 HG2 -0.38 0.21 -0.29 -0.04 2.40 1.90 2z8yP1 GLN 396 HG3 -0.17 0.02 -0.04 -0.04 2.39 2.16 2z8yP1 GLN 396 HE21 -0.05 -0.03 -0.05 -0.04 6.97 6.81 2z8yP1 GLN 396 HE22 -0.02 0.07 -0.09 -0.04 7.69 7.61 2z8yP1 ALA 397 H -0.25 0.27 0.11 -0.55 8.40 7.99 2z8yP1 ALA 397 HA -0.13 0.19 0.77 -0.75 4.34 4.42 2z8yP1 ALA 397 HB3 -0.06 0.04 0.11 -0.04 1.41 1.46 2z8yP1 ASP 398 H -0.34 0.04 -0.29 -0.55 8.40 7.27 2z8yP1 ASP 398 HA 0.01 0.20 0.80 -0.75 4.63 4.89 2z8yP1 ASP 398 HB2 -0.07 -0.04 0.05 -0.04 2.71 2.61 2z8yP1 ASP 398 HB3 0.08 0.09 -0.04 -0.04 2.70 2.78 2z8yP1 PHE 399 H -0.14 0.10 -0.22 -0.55 8.34 7.53 2z8yP1 PHE 399 HA -0.11 0.16 0.46 -0.75 4.62 4.38 2z8yP1 PHE 399 HB2 -0.14 0.11 -0.03 -0.04 3.15 3.05 2z8yP1 PHE 399 HB3 -0.25 0.05 0.04 -0.04 3.06 2.85 2z8yP1 PHE 399 HD2 -0.12 -0.02 -0.15 -0.04 7.28 6.95 2z8yP1 PHE 399 HE2 -0.08 0.08 -0.04 -0.04 7.38 7.30 2z8yP1 PHE 399 HZ -0.07 0.23 -0.02 -0.04 7.32 7.41 2z8yP1 GLU 400 H 0.05 0.14 -0.73 -0.55 8.60 7.51 2z8yP1 GLU 400 HA 0.02 0.10 -0.04 -0.75 4.29 3.61 2z8yP1 GLU 400 HB2 0.03 0.07 0.05 -0.04 2.09 2.20 2z8yP1 GLU 400 HB3 0.04 0.04 -0.01 -0.04 1.99 2.02 2z8yP1 GLU 400 HG2 0.02 0.00 -0.15 -0.04 2.34 2.17 2z8yP1 GLU 400 HG3 -0.01 -0.12 -0.05 -0.04 2.34 2.12 2z8yP1 GLY 401 H 0.02 0.23 -0.05 -0.55 8.43 8.08 2z8yP1 GLY 401 HA2 -0.05 0.03 0.34 -0.51 4.01 3.82 2z8yP1 GLY 401 HA3 -0.02 0.10 0.33 -0.51 4.01 3.91 2z8yP1 VAL 402 H -0.02 0.25 -1.10 -0.55 8.24 6.82 2z8yP1 VAL 402 HA -0.02 0.13 0.71 -0.75 4.13 4.19 2z8yP1 VAL 402 HB -0.02 0.05 -0.27 -0.04 2.12 1.84 2z8yP1 VAL 402 HG13 -0.06 0.03 -0.20 -0.04 0.97 0.71 2z8yP1 VAL 402 HG23 -0.00 -0.02 -0.31 -0.04 0.95 0.57 2z8yP1 LEU 403 H -0.08 0.52 0.19 -0.55 8.37 8.46 2z8yP1 LEU 403 HA -0.03 0.20 0.74 -0.75 4.35 4.51 2z8yP1 LEU 403 HB2 -0.04 -0.00 0.10 -0.04 1.64 1.65 2z8yP1 LEU 403 HB3 -0.01 0.01 0.01 -0.04 1.64 1.61 2z8yP1 LEU 403 HG -0.15 -0.01 -0.06 -0.04 1.64 1.37 2z8yP1 LEU 403 HD13 -0.24 0.00 -0.04 -0.04 0.93 0.60 2z8yP1 LEU 403 HD23 -0.98 -0.01 -0.08 -0.04 0.89 -0.22 2z8yP1 GLU 404 H -0.03 0.37 0.11 -0.55 8.60 8.51 2z8yP1 GLU 404 HA -0.01 0.07 0.22 -0.75 4.29 3.81 2z8yP1 GLU 404 HB2 -0.05 0.03 0.07 -0.04 2.09 2.10 2z8yP1 GLU 404 HB3 -0.08 -0.03 0.04 -0.04 1.99 1.88 2z8yP1 GLU 404 HG2 -0.11 -0.03 -0.13 -0.04 2.34 2.03 2z8yP1 GLU 404 HG3 -0.05 -0.00 -0.08 -0.04 2.34 2.17 2z8yP1 ARG 405 H -0.06 0.15 -0.46 -0.55 8.46 7.54 2z8yP1 ARG 405 HA -0.09 0.01 0.21 -0.75 4.34 3.71 2z8yP1 ARG 405 HB2 -0.05 0.06 0.09 -0.04 1.90 1.95 2z8yP1 ARG 405 HB3 -0.07 0.05 0.09 -0.04 1.80 1.82 2z8yP1 ARG 405 HG2 -0.07 -0.10 0.03 -0.04 1.67 1.49 2z8yP1 ARG 405 HG3 -0.05 0.13 0.10 -0.04 1.67 1.81 2z8yP1 ARG 405 HD2 -0.08 0.02 0.04 -0.04 3.22 3.16 2z8yP1 ARG 405 HD3 -0.05 -0.03 0.03 -0.04 3.22 3.13 2z8yP1 ARG 406 H -0.12 0.38 -1.08 -0.55 8.46 7.08 2z8yP1 ARG 406 HA -0.34 0.12 0.64 -0.75 4.34 4.01 2z8yP1 ARG 406 HB2 -0.35 0.14 -0.00 -0.04 1.90 1.65 2z8yP1 ARG 406 HB3 -0.89 -0.02 0.12 -0.04 1.80 0.97 2z8yP1 ARG 406 HG2 -0.06 -0.13 -0.20 -0.04 1.67 1.24 2z8yP1 ARG 406 HG3 0.16 0.05 0.06 -0.04 1.67 1.90 2z8yP1 ARG 406 HD2 -0.17 -0.03 -0.07 -0.04 3.22 2.91 2z8yP1 ARG 406 HD3 -0.02 -0.02 -0.06 -0.04 3.22 3.08 2z8yP1 ILE 407 H -0.17 0.57 -0.06 -0.55 8.25 8.04 2z8yP1 ILE 407 HA -0.07 0.13 0.72 -0.75 4.18 4.20 2z8yP1 ILE 407 HB -0.05 0.03 0.04 -0.04 1.89 1.87 2z8yP1 ILE 407 HG12 0.13 0.01 -0.07 -0.04 1.49 1.52 2z8yP1 ILE 407 HG13 0.04 0.12 -0.08 -0.04 1.21 1.24 2z8yP1 ILE 407 HG23 0.00 -0.01 -0.15 -0.04 0.93 0.74 2z8yP1 ILE 407 HD13 0.04 -0.03 -0.12 -0.04 0.88 0.74 2z8yP1 HIS 408 H -0.24 0.17 -0.12 -0.55 8.41 7.67 2z8yP1 HIS 408 HA -1.06 0.05 0.37 -0.75 4.63 3.24 2z8yP1 HIS 408 HB2 -0.44 0.05 0.06 -0.04 3.26 2.89 2z8yP1 HIS 408 HB3 -0.30 0.12 0.05 -0.04 3.20 3.03 2z8yP1 HIS 408 HD2 -0.19 -0.10 -0.28 -0.04 6.97 6.36 2z8yP1 HIS 408 HE1 -0.08 -0.02 -0.02 -0.04 7.75 7.58 2z8yP1 ASP 409 H -0.37 0.01 -0.88 -0.55 8.40 6.61 2z8yP1 ASP 409 HA -0.26 0.14 0.22 -0.75 4.63 3.98 2z8yP1 ASP 409 HB2 -0.64 0.08 0.09 -0.04 2.71 2.20 2z8yP1 ASP 409 HB3 -0.38 0.05 -0.13 -0.04 2.70 2.19 2z8yP1 PHE 410 H -0.45 0.41 -0.00 -0.55 8.34 7.75 2z8yP1 PHE 410 HA -0.20 0.10 0.25 -0.75 4.62 4.02 2z8yP1 PHE 410 HB2 0.02 -0.06 0.01 -0.04 3.15 3.08 2z8yP1 PHE 410 HB3 0.10 0.00 -0.09 -0.04 3.06 3.03 2z8yP1 PHE 410 HD2 -0.08 -0.06 -0.09 -0.04 7.28 7.01 2z8yP1 PHE 410 HE2 0.00 -0.04 -0.07 -0.04 7.38 7.23 2z8yP1 PHE 410 HZ 0.11 -0.01 0.01 -0.04 7.32 7.39 2z8yP1 ILE 411 H 0.01 0.52 -0.33 -0.55 8.25 7.90 2z8yP1 ILE 411 HA 0.28 0.05 0.39 -0.75 4.18 4.14 2z8yP1 ILE 411 HB -0.00 0.14 -0.07 -0.04 1.89 1.91 2z8yP1 ILE 411 HG12 0.21 -0.04 -0.10 -0.04 1.49 1.53 2z8yP1 ILE 411 HG13 0.10 0.00 -0.08 -0.04 1.21 1.20 2z8yP1 ILE 411 HG23 0.19 -0.01 -0.28 -0.04 0.93 0.78 2z8yP1 ILE 411 HD13 -0.16 -0.03 -0.13 -0.04 0.88 0.52 2z8yP1 ASN 412 H -0.10 0.31 -0.33 -0.55 8.53 7.86 2z8yP1 ASN 412 HA 0.03 0.04 0.13 -0.75 4.76 4.21 2z8yP1 ASN 412 HB2 -0.21 0.09 0.16 -0.04 2.88 2.87 2z8yP1 ASN 412 HB3 -0.06 0.12 0.12 -0.04 2.79 2.93 2z8yP1 ASN 412 HD21 -0.52 0.12 0.24 -0.04 7.03 6.83 2z8yP1 ASN 412 HD22 -0.73 0.62 0.22 -0.04 7.74 7.81 2z8yP1 TYR 413 H 0.14 0.22 -0.58 -0.55 8.29 7.52 2z8yP1 TYR 413 HA -0.19 0.11 0.22 -0.75 4.56 3.94 2z8yP1 TYR 413 HB2 -0.62 0.20 -0.03 -0.04 3.06 2.57 2z8yP1 TYR 413 HB3 -1.63 -0.14 -0.13 -0.04 2.98 1.04 2z8yP1 TYR 413 HD2 -0.20 0.00 -0.13 -0.04 7.15 6.78 2z8yP1 TYR 413 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.73 2z8yP1 GLY 414 H 0.10 0.29 -0.47 -0.55 8.43 7.81 2z8yP1 GLY 414 HA2 0.24 0.13 0.54 -0.51 4.01 4.41 2z8yP1 GLY 414 HA3 0.20 -0.09 0.19 -0.51 4.01 3.80 2z8yP1 GLU 415 H -0.28 0.71 0.14 -0.55 8.60 8.63 2z8yP1 GLU 415 HA -0.22 0.15 0.59 -0.75 4.29 4.05 2z8yP1 GLU 415 HB2 -1.81 0.03 0.06 -0.04 2.09 0.32 2z8yP1 GLU 415 HB3 -0.47 -0.13 0.22 -0.04 1.99 1.57 2z8yP1 GLU 415 HG2 -0.18 -0.10 -0.29 -0.04 2.34 1.74 2z8yP1 GLU 415 HG3 -0.15 0.04 -0.04 -0.04 2.34 2.15 2z8yP1 GLY 416 H 0.03 0.39 0.22 -0.55 8.43 8.51 2z8yP1 GLY 416 HA2 -0.01 -0.06 0.31 -0.51 4.01 3.73 2z8yP1 GLY 416 HA3 -0.06 0.01 0.61 -0.51 4.01 4.06 2z8yP1 LEU 417 H 0.01 0.54 -0.46 -0.55 8.37 7.91 2z8yP1 LEU 417 HA -0.01 0.08 0.83 -0.75 4.35 4.49 2z8yP1 LEU 417 HB2 0.10 0.36 -0.01 -0.04 1.64 2.05 2z8yP1 LEU 417 HB3 0.12 -0.10 0.03 -0.04 1.64 1.65 2z8yP1 LEU 417 HG -0.03 -0.01 -0.27 -0.04 1.64 1.29 2z8yP1 LEU 417 HD13 0.28 -0.01 -0.08 -0.04 0.93 1.08 2z8yP1 LEU 417 HD23 -0.79 -0.03 -0.18 -0.04 0.89 -0.14 2z8yP1 TRP 418 H 0.20 0.29 0.18 -0.55 7.97 8.10 2z8yP1 TRP 418 HA -0.02 0.26 0.71 -0.75 4.62 4.82 2z8yP1 TRP 418 HB2 -0.07 0.11 -0.34 -0.04 3.23 2.89 2z8yP1 TRP 418 HB3 -0.11 -0.09 -0.10 -0.04 3.23 2.89 2z8yP1 TRP 418 HD1 -0.07 0.40 0.21 -0.04 7.22 7.71 2z8yP1 TRP 418 HE1 -0.09 0.00 0.04 -0.04 10.20 10.12 2z8yP1 TRP 418 HE3 -0.38 -0.27 -0.08 -0.04 7.59 6.82 2z8yP1 TRP 418 HZ2 -0.23 -0.03 -0.02 -0.04 7.44 7.12 2z8yP1 TRP 418 HZ3 -1.76 0.05 0.02 -0.04 7.13 5.39 2z8yP1 TRP 418 HH2 -1.64 -0.03 0.00 -0.04 7.19 5.48 2z8yP1 HIS 419 H -1.36 0.29 0.13 -0.55 8.41 6.93 2z8yP1 HIS 419 HA -0.56 0.09 0.59 -0.75 4.63 4.00 2z8yP1 HIS 419 HB2 -0.16 0.13 -0.45 -0.04 3.26 2.74 2z8yP1 HIS 419 HB3 -0.31 0.08 -0.14 -0.04 3.20 2.78 2z8yP1 HIS 419 HD2 -0.10 -0.02 -0.24 -0.04 6.97 6.56 2z8yP1 HIS 419 HE1 -0.03 0.29 -0.52 -0.04 7.75 7.44 2z8yP1 THR 420 H -0.78 0.39 0.14 -0.55 8.28 7.47 2z8yP1 THR 420 HA 0.10 0.13 0.34 -0.75 4.39 4.20 2z8yP1 THR 420 HB -0.42 0.05 0.10 -0.04 4.32 4.01 2z8yP1 THR 420 HG23 0.10 0.01 -0.07 -0.04 1.22 1.23 2z8yP1 GLY 421 H -0.02 0.10 0.10 -0.55 8.43 8.06 2z8yP1 GLY 421 HA2 0.02 -0.02 0.38 -0.51 4.01 3.88 2z8yP1 GLY 421 HA3 0.04 0.26 0.89 -0.51 4.01 4.69 2z8yP1 GLN 422 H 0.03 0.44 0.27 -0.55 8.47 8.66 2z8yP1 GLN 422 HA 0.07 0.07 0.13 -0.75 4.36 3.87 2z8yP1 GLN 422 HB2 -0.05 -0.14 0.14 -0.04 2.15 2.06 2z8yP1 GLN 422 HB3 -0.05 0.18 0.12 -0.04 2.02 2.23 2z8yP1 GLN 422 HG2 -0.05 -0.06 -0.05 -0.04 2.40 2.20 2z8yP1 GLN 422 HG3 -0.06 0.03 -0.02 -0.04 2.39 2.30 2z8yP1 GLN 422 HE21 -0.03 0.04 -0.05 -0.04 6.97 6.89 2z8yP1 GLN 422 HE22 -0.06 0.08 -0.32 -0.04 7.69 7.34 2z8yP1 ARG 423 H -0.07 0.08 0.07 -0.55 8.46 7.98 2z8yP1 ARG 423 HA -0.16 0.08 0.36 -0.75 4.34 3.87 2z8yP1 ARG 423 HB2 0.06 0.08 0.05 -0.04 1.90 2.06 2z8yP1 ARG 423 HB3 -0.14 -0.03 0.20 -0.04 1.80 1.79 2z8yP1 ARG 423 HG2 -0.16 -0.03 0.05 -0.04 1.67 1.49 2z8yP1 ARG 423 HG3 -0.04 0.04 -0.20 -0.04 1.67 1.43 2z8yP1 ARG 423 HD2 -0.05 0.05 0.02 -0.04 3.22 3.20 2z8yP1 ARG 423 HD3 0.01 0.05 0.05 -0.04 3.22 3.28 2z8yP1 ASN 424 H 0.42 0.11 0.17 -0.55 8.53 8.68 2z8yP1 ASN 424 HA 0.31 0.01 0.61 -0.75 4.76 4.94 2z8yP1 ASN 424 HB2 0.11 0.04 0.18 -0.04 2.88 3.17 2z8yP1 ASN 424 HB3 0.14 -0.04 0.13 -0.04 2.79 2.97 2z8yP1 ASN 424 HD21 -0.27 0.02 -0.02 -0.04 7.03 6.72 2z8yP1 ASN 424 HD22 -0.19 0.01 0.01 -0.04 7.74 7.53 2z8yP1 ILE 425 H 0.09 0.62 -0.58 -0.55 8.25 7.84 2z8yP1 ILE 425 HA 0.06 -0.01 1.00 -0.75 4.18 4.48 2z8yP1 ILE 425 HB 0.04 -0.02 0.14 -0.04 1.89 2.01 2z8yP1 ILE 425 HG12 0.03 -0.01 -0.02 -0.04 1.49 1.45 2z8yP1 ILE 425 HG13 0.05 0.13 -0.05 -0.04 1.21 1.30 2z8yP1 ILE 425 HG23 0.02 -0.01 -0.02 -0.04 0.93 0.88 2z8yP1 ILE 425 HD13 0.07 -0.08 -0.22 -0.04 0.88 0.60 2z8yP1 ASN 426 H 0.06 -0.10 0.13 -0.55 8.53 8.08 2z8yP1 ASN 426 HA -0.02 0.19 0.52 -0.75 4.76 4.71 2z8yP1 ASN 426 HB2 0.03 -0.09 -0.04 -0.04 2.88 2.74 2z8yP1 ASN 426 HB3 -0.10 -0.33 0.09 -0.04 2.79 2.42 2z8yP1 ASN 426 HD21 0.06 -0.08 -0.42 -0.04 7.03 6.55 2z8yP1 ASN 426 HD22 -0.15 0.07 -0.34 -0.04 7.74 7.28 2z8yP1 TRP 427 H -0.04 -0.00 0.04 -0.55 7.97 7.42 2z8yP1 TRP 427 HA 0.05 0.20 0.21 -0.75 4.62 4.33 2z8yP1 TRP 427 HB2 0.05 0.23 0.59 -0.04 3.23 4.06 2z8yP1 TRP 427 HB3 0.03 -0.01 0.23 -0.04 3.23 3.43 2z8yP1 TRP 427 HD1 0.14 0.07 -0.08 -0.04 7.22 7.31 2z8yP1 TRP 427 HE1 0.10 -0.02 -0.05 -0.04 10.20 10.19 2z8yP1 TRP 427 HE3 0.25 0.02 0.03 -0.04 7.59 7.85 2z8yP1 TRP 427 HZ2 0.02 -0.02 -0.02 -0.04 7.44 7.37 2z8yP1 TRP 427 HZ3 0.27 -0.02 -0.00 -0.04 7.13 7.33 2z8yP1 TRP 427 HH2 0.08 -0.04 -0.01 -0.04 7.19 7.17 2z8yP1 LEU 428 H 0.06 0.30 0.23 -0.55 8.37 8.41 2z8yP1 LEU 428 HA 0.07 0.21 1.13 -0.75 4.35 5.00 2z8yP1 LEU 428 HB2 0.09 0.12 0.04 -0.04 1.64 1.85 2z8yP1 LEU 428 HB3 -0.14 0.03 0.20 -0.04 1.64 1.70 2z8yP1 LEU 428 HG -0.01 -0.04 0.03 -0.04 1.64 1.58 2z8yP1 LEU 428 HD13 -0.10 -0.01 -0.10 -0.04 0.93 0.68 2z8yP1 LEU 428 HD23 -0.26 -0.04 -0.04 -0.04 0.89 0.51 2z8yP1 ARG 429 H 0.34 0.16 0.04 -0.55 8.46 8.45 2z8yP1 ARG 429 HA 0.14 0.25 1.08 -0.75 4.34 5.06 2z8yP1 ARG 429 HB2 0.02 0.04 0.07 -0.04 1.90 1.98 2z8yP1 ARG 429 HB3 0.02 -0.02 -0.01 -0.04 1.80 1.75 2z8yP1 ARG 429 HG2 0.05 -0.03 0.00 -0.04 1.67 1.65 2z8yP1 ARG 429 HG3 -0.10 -0.05 -0.17 -0.04 1.67 1.30 2z8yP1 ARG 429 HD2 -0.85 -0.06 0.03 -0.04 3.22 2.30 2z8yP1 ARG 429 HD3 -0.26 0.03 -0.13 -0.04 3.22 2.82 2z8yP1 VAL 430 H 0.12 0.55 0.22 -0.55 8.24 8.57 2z8yP1 VAL 430 HA -0.04 0.28 0.89 -0.75 4.13 4.50 2z8yP1 VAL 430 HB 0.10 -0.06 0.01 -0.04 2.12 2.13 2z8yP1 VAL 430 HG13 -0.29 0.02 -0.20 -0.04 0.97 0.46 2z8yP1 VAL 430 HG23 -0.02 -0.01 -0.23 -0.04 0.95 0.65 2z8yP1 SER 431 H -0.06 0.94 0.31 -0.55 8.46 9.10 2z8yP1 SER 431 HA 0.02 0.15 0.54 -0.75 4.49 4.44 2z8yP1 SER 431 HB2 -0.02 -0.00 0.16 -0.04 3.95 4.05 2z8yP1 SER 431 HB3 -0.03 0.20 0.20 -0.04 3.93 4.26 2z8yP1 LYS 432 H 0.06 0.41 0.37 -0.55 8.42 8.69 2z8yP1 LYS 432 HA 0.12 0.13 0.51 -0.75 4.32 4.33 2z8yP1 LYS 432 HB2 0.23 0.03 0.18 -0.04 1.87 2.26 2z8yP1 LYS 432 HB3 0.18 0.07 0.18 -0.04 1.79 2.18 2z8yP1 LYS 432 HG2 0.04 -0.05 0.16 -0.04 1.46 1.57 2z8yP1 LYS 432 HG3 0.05 0.02 -0.10 -0.04 1.46 1.39 2z8yP1 LYS 432 HD2 0.03 -0.02 0.02 -0.04 1.69 1.68 2z8yP1 LYS 432 HD3 0.05 0.01 0.01 -0.04 1.68 1.72 2z8yP1 LYS 432 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 2z8yP1 LYS 432 HE3 0.04 -0.01 -0.03 -0.04 2.99 2.95 2z8yP1 ASP 433 H 0.01 0.10 -0.10 -0.55 8.40 7.86 2z8yP1 ASP 433 HA -0.01 0.11 0.52 -0.75 4.63 4.50 2z8yP1 ASP 433 HB2 -0.01 -0.02 0.11 -0.04 2.71 2.75 2z8yP1 ASP 433 HB3 -0.02 0.03 0.04 -0.04 2.70 2.71 2z8yP1 ALA 434 H -0.04 0.22 -0.37 -0.55 8.40 7.67 2z8yP1 ALA 434 HA -0.03 0.17 0.36 -0.75 4.34 4.08 2z8yP1 ALA 434 HB3 -0.07 0.06 0.03 -0.04 1.41 1.38 2z8yP1 VAL 435 H -0.10 0.25 -0.22 -0.55 8.24 7.63 2z8yP1 VAL 435 HA -0.11 0.14 0.39 -0.75 4.13 3.80 2z8yP1 VAL 435 HB -0.37 0.01 0.14 -0.04 2.12 1.86 2z8yP1 VAL 435 HG13 -0.70 0.01 -0.15 -0.04 0.97 0.09 2z8yP1 VAL 435 HG23 -0.56 0.02 -0.09 -0.04 0.95 0.28 2z8yP1 ALA 436 H -0.07 0.40 -0.12 -0.55 8.40 8.05 2z8yP1 ALA 436 HA -0.05 0.01 0.36 -0.75 4.34 3.90 2z8yP1 ALA 436 HB3 -0.02 0.03 0.12 -0.04 1.41 1.51 2z8yP1 LYS 437 H -0.04 0.31 -0.43 -0.55 8.42 7.71 2z8yP1 LYS 437 HA -0.03 0.02 0.32 -0.75 4.32 3.87 2z8yP1 LYS 437 HB2 -0.02 -0.01 0.07 -0.04 1.87 1.87 2z8yP1 LYS 437 HB3 -0.03 0.13 0.12 -0.04 1.79 1.97 2z8yP1 LYS 437 HG2 -0.03 -0.07 0.03 -0.04 1.46 1.36 2z8yP1 LYS 437 HG3 -0.03 0.16 0.11 -0.04 1.46 1.66 2z8yP1 LYS 437 HD2 -0.04 -0.04 0.01 -0.04 1.69 1.57 2z8yP1 LYS 437 HD3 -0.03 0.05 0.06 -0.04 1.68 1.72 2z8yP1 LYS 437 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.90 2z8yP1 LYS 437 HE3 -0.03 -0.05 -0.01 -0.04 2.99 2.85 2z8yP1 GLY 438 H -0.06 0.48 -0.76 -0.55 8.43 7.54 2z8yP1 GLY 438 HA2 -0.09 -0.03 0.26 -0.51 4.01 3.64 2z8yP1 GLY 438 HA3 -0.07 0.14 0.94 -0.51 4.01 4.51 2z8yP1 PHE 439 H 0.04 0.67 0.05 -0.55 8.34 8.54 2z8yP1 PHE 439 HA -0.13 -0.03 0.38 -0.75 4.62 4.09 2z8yP1 PHE 439 HB2 -0.11 0.07 -0.09 -0.04 3.15 2.98 2z8yP1 PHE 439 HB3 -0.18 -0.06 -0.27 -0.04 3.06 2.51 2z8yP1 PHE 439 HD2 -0.19 0.01 -0.30 -0.04 7.28 6.76 2z8yP1 PHE 439 HE2 -0.17 -0.02 -0.27 -0.04 7.38 6.88 2z8yP1 PHE 439 HZ -1.71 -0.05 -0.17 -0.04 7.32 5.34 2z8yP1 ARG 440 H -1.08 0.24 0.30 -0.55 8.46 7.37 2z8yP1 ARG 440 HA -0.61 0.10 0.61 -0.75 4.34 3.68 2z8yP1 ARG 440 HB2 -0.34 0.14 0.04 -0.04 1.90 1.70 2z8yP1 ARG 440 HB3 -0.32 -0.19 0.08 -0.04 1.80 1.32 2z8yP1 ARG 440 HG2 -0.20 -0.05 0.01 -0.04 1.67 1.39 2z8yP1 ARG 440 HG3 -0.31 -0.14 0.10 -0.04 1.67 1.28 2z8yP1 ARG 440 HD2 -0.24 0.34 -0.67 -0.04 3.22 2.61 2z8yP1 ARG 440 HD3 -0.19 0.06 -0.13 -0.04 3.22 2.92 2z8yP1 PHE 441 H -0.51 0.10 0.13 -0.55 8.34 7.51 2z8yP1 PHE 441 HA -0.41 0.14 0.14 -0.75 4.62 3.73 2z8yP1 PHE 441 HB2 -0.04 -0.02 0.04 -0.04 3.15 3.10 2z8yP1 PHE 441 HB3 0.09 0.03 0.00 -0.04 3.06 3.14 2z8yP1 PHE 441 HD2 0.07 0.01 -0.07 -0.04 7.28 7.25 2z8yP1 PHE 441 HE2 0.16 0.15 -0.15 -0.04 7.38 7.50 2z8yP1 PHE 441 HZ 0.16 0.12 -0.18 -0.04 7.32 7.37 2z8yP1 LYS 442 H -0.15 0.10 -0.29 -0.55 8.42 7.53 2z8yP1 LYS 442 HA -0.02 0.03 0.35 -0.75 4.32 3.92 2z8yP1 LYS 442 HB2 -0.06 0.04 0.04 -0.04 1.87 1.85 2z8yP1 LYS 442 HB3 -0.11 -0.02 0.06 -0.04 1.79 1.68 2z8yP1 LYS 442 HG2 -0.11 0.01 -0.36 -0.04 1.46 0.97 2z8yP1 LYS 442 HG3 -0.07 0.03 -0.03 -0.04 1.46 1.36 2z8yP1 LYS 442 HD2 -0.14 -0.03 -0.02 -0.04 1.69 1.47 2z8yP1 LYS 442 HD3 -0.11 0.05 -0.04 -0.04 1.68 1.54 2z8yP1 LYS 442 HE2 -0.07 -0.02 0.02 -0.04 2.99 2.87 2z8yP1 LYS 442 HE3 -0.08 0.03 0.00 -0.04 2.99 2.91 2z8yP1 ASN 443 H -0.41 0.52 -0.23 -0.55 8.53 7.87 2z8yP1 ASN 443 HA -0.11 0.01 0.31 -0.75 4.76 4.22 2z8yP1 ASN 443 HB2 -0.91 0.11 0.09 -0.04 2.88 2.13 2z8yP1 ASN 443 HB3 -0.06 0.06 -0.00 -0.04 2.79 2.75 2z8yP1 ASN 443 HD21 -0.17 0.07 0.02 -0.04 7.03 6.91 2z8yP1 ASN 443 HD22 -0.15 -0.05 -0.01 -0.04 7.74 7.48 2z8yP1 TYR 444 H 0.01 0.28 -0.29 -0.55 8.29 7.74 2z8yP1 TYR 444 HA 0.23 0.10 0.35 -0.75 4.56 4.48 2z8yP1 TYR 444 HB2 0.15 0.27 0.09 -0.04 3.06 3.53 2z8yP1 TYR 444 HB3 0.12 -0.04 -0.15 -0.04 2.98 2.87 2z8yP1 TYR 444 HD2 0.22 -0.01 -0.05 -0.04 7.15 7.27 2z8yP1 TYR 444 HE2 0.10 0.04 -0.11 -0.04 6.85 6.84 2z8yP1 GLY 445 H 0.13 0.31 -0.35 -0.55 8.43 7.97 2z8yP1 GLY 445 HA2 0.07 0.02 0.30 -0.51 4.01 3.89 2z8yP1 GLY 445 HA3 0.04 0.01 0.22 -0.51 4.01 3.77 2z8yP1 GLU 446 H -0.00 0.51 0.05 -0.55 8.60 8.62 2z8yP1 GLU 446 HA -0.03 -0.01 0.33 -0.75 4.29 3.83 2z8yP1 GLU 446 HB2 -0.05 0.03 0.10 -0.04 2.09 2.13 2z8yP1 GLU 446 HB3 -0.07 0.03 -0.08 -0.04 1.99 1.83 2z8yP1 GLU 446 HG2 -0.05 0.03 0.04 -0.04 2.34 2.31 2z8yP1 GLU 446 HG3 -0.04 -0.03 0.03 -0.04 2.34 2.25 2z8yP1 ILE 447 H 0.04 0.69 -0.36 -0.55 8.25 8.07 2z8yP1 ILE 447 HA -0.15 0.02 0.32 -0.75 4.18 3.62 2z8yP1 ILE 447 HB 0.20 0.06 0.08 -0.04 1.89 2.19 2z8yP1 ILE 447 HG12 -0.20 0.01 -0.07 -0.04 1.49 1.19 2z8yP1 ILE 447 HG13 0.06 0.03 -0.04 -0.04 1.21 1.21 2z8yP1 ILE 447 HG23 0.23 0.00 -0.39 -0.04 0.93 0.74 2z8yP1 ILE 447 HD13 0.46 -0.00 -0.12 -0.04 0.88 1.18 2z8yP1 LEU 448 H 0.08 0.57 -0.11 -0.55 8.37 8.37 2z8yP1 LEU 448 HA 0.02 0.02 0.26 -0.75 4.35 3.90 2z8yP1 LEU 448 HB2 0.09 0.15 0.13 -0.04 1.64 1.97 2z8yP1 LEU 448 HB3 0.07 -0.09 -0.11 -0.04 1.64 1.47 2z8yP1 LEU 448 HG 0.11 -0.09 -0.10 -0.04 1.64 1.52 2z8yP1 LEU 448 HD13 0.31 -0.01 -0.09 -0.04 0.93 1.10 2z8yP1 LEU 448 HD23 0.09 -0.01 -0.09 -0.04 0.89 0.83 2z8yP1 VAL 449 H -0.00 0.84 -0.08 -0.55 8.24 8.44 2z8yP1 VAL 449 HA -0.01 -0.05 0.50 -0.75 4.13 3.82 2z8yP1 VAL 449 HB -0.03 0.10 0.09 -0.04 2.12 2.24 2z8yP1 VAL 449 HG13 -0.02 0.00 -0.11 -0.04 0.97 0.80 2z8yP1 VAL 449 HG23 0.00 -0.02 -0.15 -0.04 0.95 0.74 2z8yP1 ALA 450 H -0.08 0.55 -0.02 -0.55 8.40 8.30 2z8yP1 ALA 450 HA -0.07 -0.04 0.05 -0.75 4.34 3.53 2z8yP1 ALA 450 HB3 -0.11 0.02 0.04 -0.04 1.41 1.32 2z8yP1 LYS 451 H -0.26 0.36 -0.46 -0.55 8.42 7.51 2z8yP1 LYS 451 HA -0.30 0.08 0.59 -0.75 4.32 3.94 2z8yP1 LYS 451 HB2 -0.95 0.14 0.01 -0.04 1.87 1.03 2z8yP1 LYS 451 HB3 -1.68 -0.05 0.05 -0.04 1.79 0.07 2z8yP1 LYS 451 HG2 -0.22 0.02 -0.07 -0.04 1.46 1.15 2z8yP1 LYS 451 HG3 -0.15 0.01 -0.04 -0.04 1.46 1.24 2z8yP1 LYS 451 HD2 -0.14 -0.04 -0.08 -0.04 1.69 1.38 2z8yP1 LYS 451 HD3 0.03 0.05 -0.08 -0.04 1.68 1.64 2z8yP1 LYS 451 HE2 -0.08 -0.04 -0.02 -0.04 2.99 2.80 2z8yP1 LYS 451 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.88 2z8yP1 MET 452 H -0.16 0.70 0.11 -0.55 8.47 8.57 2z8yP1 MET 452 HA 0.26 0.06 0.78 -0.75 4.52 4.86 2z8yP1 MET 452 HB2 0.04 0.12 0.24 -0.04 2.15 2.51 2z8yP1 MET 452 HB3 0.12 -0.12 0.05 -0.04 2.03 2.03 2z8yP1 MET 452 HG2 0.06 0.22 0.10 -0.04 2.63 2.96 2z8yP1 MET 452 HG3 0.10 -0.13 -0.01 -0.04 2.56 2.48 2z8yP1 MET 452 HE3 0.26 0.00 -0.14 -0.04 2.10 2.18 2z8yP1 LYS 453 H -0.02 0.42 -0.08 -0.55 8.42 8.19 2z8yP1 LYS 453 HA 0.06 0.07 0.25 -0.75 4.32 3.94 2z8yP1 LYS 453 HB2 -0.00 -0.06 -0.06 -0.04 1.87 1.71 2z8yP1 LYS 453 HB3 -0.02 0.09 -0.11 -0.04 1.79 1.71 2z8yP1 LYS 453 HG2 0.02 -0.06 0.07 -0.04 1.46 1.44 2z8yP1 LYS 453 HG3 0.02 0.11 -0.06 -0.04 1.46 1.50 2z8yP1 LYS 453 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.53 2z8yP1 LYS 453 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.59 2z8yP1 LYS 453 HE2 0.00 -0.08 0.04 -0.04 2.99 2.92 2z8yP1 LYS 453 HE3 0.02 0.25 0.12 -0.04 2.99 3.33 2z8yP1 GLU 454 H -0.09 0.00 -0.52 -0.55 8.60 7.44 2z8yP1 GLU 454 HA -0.05 0.12 0.66 -0.75 4.29 4.26 2z8yP1 GLU 454 HB2 -0.08 0.22 0.16 -0.04 2.09 2.35 2z8yP1 GLU 454 HB3 -0.13 -0.04 0.11 -0.04 1.99 1.90 2z8yP1 GLU 454 HG2 -0.05 0.04 -0.05 -0.04 2.34 2.24 2z8yP1 GLU 454 HG3 -0.04 -0.03 0.08 -0.04 2.34 2.31 2z8yP1 GLU 455 H -0.18 0.28 -0.14 -0.55 8.60 8.01 2z8yP1 GLU 455 HA -0.31 0.12 0.49 -0.75 4.29 3.83 2z8yP1 GLU 455 HB2 -1.02 0.03 0.14 -0.04 2.09 1.19 2z8yP1 GLU 455 HB3 -1.07 -0.07 0.08 -0.04 1.99 0.89 2z8yP1 GLU 455 HG2 -0.11 0.13 0.13 -0.04 2.34 2.45 2z8yP1 GLU 455 HG3 0.09 -0.07 0.05 -0.04 2.34 2.37 2z8yP1 PHE 456 H 0.01 0.28 -0.34 -0.55 8.34 7.74 2z8yP1 PHE 456 HA -0.05 0.32 0.92 -0.75 4.62 5.06 2z8yP1 PHE 456 HB2 -0.00 -0.05 0.08 -0.04 3.15 3.14 2z8yP1 PHE 456 HB3 -0.08 -0.07 0.04 -0.04 3.06 2.91 2z8yP1 PHE 456 HD2 -0.06 0.14 -0.02 -0.04 7.28 7.30 2z8yP1 PHE 456 HE2 0.06 -0.00 -0.01 -0.04 7.38 7.38 2z8yP1 PHE 456 HZ 0.03 0.02 0.01 -0.04 7.32 7.34 2z8yP1 PRO 457 HA 0.04 0.03 0.02 -0.51 4.44 4.03 2z8yP1 PRO 457 HB2 0.00 -0.08 -0.02 -0.04 2.28 2.14 2z8yP1 PRO 457 HB3 -0.00 0.29 0.14 -0.04 2.02 2.40 2z8yP1 PRO 457 HG2 -0.01 -0.03 -0.00 -0.04 2.03 1.95 2z8yP1 PRO 457 HG3 -0.03 0.16 0.03 -0.04 2.03 2.15 2z8yP1 PRO 457 HD2 -0.02 0.10 -0.09 -0.04 3.68 3.63 2z8yP1 PRO 457 HD3 -0.07 0.25 -0.69 -0.04 3.65 3.09 2z8yP1 ALA 458 H 0.02 0.16 0.02 -0.55 8.40 8.06 2z8yP1 ALA 458 HA 0.02 -0.06 0.30 -0.75 4.34 3.84 2z8yP1 ALA 458 HB3 0.01 0.09 0.18 -0.04 1.41 1.65 2z8yP1 ILE 459 H 0.06 0.38 -0.54 -0.55 8.25 7.60 2z8yP1 ILE 459 HA 0.04 0.01 0.66 -0.75 4.18 4.14 2z8yP1 ILE 459 HB 0.10 0.41 0.03 -0.04 1.89 2.39 2z8yP1 ILE 459 HG12 0.09 -0.02 -0.12 -0.04 1.49 1.41 2z8yP1 ILE 459 HG13 0.18 -0.14 -0.25 -0.04 1.21 0.96 2z8yP1 ILE 459 HG23 0.17 -0.07 -0.20 -0.04 0.93 0.79 2z8yP1 ILE 459 HD13 0.04 0.09 -0.28 -0.04 0.88 0.69 2z8yP1 VAL 460 H 0.10 0.52 -0.07 -0.55 8.24 8.24 2z8yP1 VAL 460 HA 0.06 -0.01 0.50 -0.75 4.13 3.92 2z8yP1 VAL 460 HB 0.13 0.12 -0.10 -0.04 2.12 2.23 2z8yP1 VAL 460 HG13 0.07 -0.02 -0.25 -0.04 0.97 0.74 2z8yP1 VAL 460 HG23 0.10 -0.00 -0.13 -0.04 0.95 0.88 2z8yP1 ASP 461 H 0.04 0.42 -0.14 -0.55 8.40 8.17 2z8yP1 ASP 461 HA 0.03 0.01 0.39 -0.75 4.63 4.31 2z8yP1 ASP 461 HB2 0.06 0.17 0.30 -0.04 2.71 3.19 2z8yP1 ASP 461 HB3 0.06 -0.03 -0.01 -0.04 2.70 2.68 2z8yP1 ARG 462 H 0.08 0.30 0.14 -0.55 8.46 8.43 2z8yP1 ARG 462 HA 0.04 0.23 0.65 -0.75 4.34 4.50 2z8yP1 ARG 462 HB2 0.05 -0.02 -0.20 -0.04 1.90 1.69 2z8yP1 ARG 462 HB3 0.03 -0.03 0.07 -0.04 1.80 1.83 2z8yP1 ARG 462 HG2 0.04 0.00 -0.12 -0.04 1.67 1.55 2z8yP1 ARG 462 HG3 0.05 0.01 -0.51 -0.04 1.67 1.19 2z8yP1 ARG 462 HD2 0.11 0.02 -0.04 -0.04 3.22 3.27 2z8yP1 ARG 462 HD3 0.07 -0.02 -0.14 -0.04 3.22 3.08 2z8yP1 VAL 463 H 0.03 0.21 0.20 -0.55 8.24 8.13 2z8yP1 VAL 463 HA 0.05 0.52 1.09 -0.75 4.13 5.03 2z8yP1 VAL 463 HB 0.02 -0.07 -0.11 -0.04 2.12 1.92 2z8yP1 VAL 463 HG13 0.04 -0.00 0.05 -0.04 0.97 1.01 2z8yP1 VAL 463 HG23 0.02 0.02 -0.22 -0.04 0.95 0.73 2z8yP1 GLN 464 H 0.04 0.41 0.45 -0.55 8.47 8.82 2z8yP1 GLN 464 HA 0.01 0.06 0.38 -0.75 4.36 4.06 2z8yP1 GLN 464 HB2 0.01 -0.12 0.46 -0.04 2.15 2.46 2z8yP1 GLN 464 HB3 0.02 0.18 0.05 -0.04 2.02 2.23 2z8yP1 GLN 464 HG2 0.02 -0.03 -0.16 -0.04 2.40 2.20 2z8yP1 GLN 464 HG3 0.01 0.04 -0.03 -0.04 2.39 2.36 2z8yP1 GLN 464 HE21 0.02 0.38 0.12 -0.04 6.97 7.46 2z8yP1 GLN 464 HE22 0.03 -0.03 -0.06 -0.04 7.69 7.58 2z8yP1 VAL 465 H -0.00 0.70 0.42 -0.55 8.24 8.80 2z8yP1 VAL 465 HA 0.02 0.78 1.30 -0.75 4.13 5.48 2z8yP1 VAL 465 HB 0.01 -0.13 -0.01 -0.04 2.12 1.95 2z8yP1 VAL 465 HG13 0.03 0.00 -0.18 -0.04 0.97 0.78 2z8yP1 VAL 465 HG23 0.03 0.02 -0.23 -0.04 0.95 0.72 2z8yP1 THR 466 H -0.01 0.28 0.38 -0.55 8.28 8.38 2z8yP1 THR 466 HA -0.19 0.25 1.14 -0.75 4.39 4.83 2z8yP1 THR 466 HB -0.05 -0.07 0.09 -0.04 4.32 4.25 2z8yP1 THR 466 HG23 -0.74 0.00 -0.10 -0.04 1.22 0.34 2z8yP1 ILE 467 H -0.30 0.78 0.37 -0.55 8.25 8.55 2z8yP1 ILE 467 HA -0.11 0.57 1.13 -0.75 4.18 5.02 2z8yP1 ILE 467 HB -0.02 -0.05 0.02 -0.04 1.89 1.80 2z8yP1 ILE 467 HG12 0.20 0.03 -0.11 -0.04 1.49 1.56 2z8yP1 ILE 467 HG13 -0.01 0.13 -0.09 -0.04 1.21 1.20 2z8yP1 ILE 467 HG23 -0.00 -0.03 -0.17 -0.04 0.93 0.69 2z8yP1 ILE 467 HD13 0.04 -0.04 -0.36 -0.04 0.88 0.48 2z8yP1 PHE 468 H 0.07 0.28 0.31 -0.55 8.34 8.44 2z8yP1 PHE 468 HA -0.01 -0.01 0.79 -0.75 4.62 4.63 2z8yP1 PHE 468 HB2 -0.03 0.01 -0.14 -0.04 3.15 2.94 2z8yP1 PHE 468 HB3 0.04 -0.06 -0.28 -0.04 3.06 2.73 2z8yP1 PHE 468 HD2 -0.02 -0.05 -0.21 -0.04 7.28 6.96 2z8yP1 PHE 468 HE2 -0.10 0.01 -0.16 -0.04 7.38 7.08 2z8yP1 PHE 468 HZ -0.78 0.02 -0.12 -0.04 7.32 6.41 2z8yP1 THR 469 H 0.11 -0.30 0.26 -0.55 8.28 7.81 2z8yP1 THR 469 HA 0.06 0.28 0.46 -0.75 4.39 4.44 2z8yP1 THR 469 HB 0.09 0.05 0.11 -0.04 4.32 4.53 2z8yP1 THR 469 HG23 -0.08 0.07 -0.07 -0.04 1.22 1.10 2z8yP1 ASP 470 H 0.17 -0.12 0.15 -0.55 8.40 8.05 2z8yP1 ASP 470 HA 0.09 0.23 0.71 -0.75 4.63 4.91 2z8yP1 ASP 470 HB2 0.11 0.08 0.07 -0.04 2.71 2.93 2z8yP1 ASP 470 HB3 0.16 -0.08 0.13 -0.04 2.70 2.87 2z8yP1 GLU 471 H 0.08 0.32 0.23 -0.55 8.60 8.68 2z8yP1 GLU 471 HA 0.07 0.07 0.34 -0.75 4.29 4.01 2z8yP1 GLU 471 HB2 0.05 -0.02 0.17 -0.04 2.09 2.25 2z8yP1 GLU 471 HB3 0.04 0.05 0.08 -0.04 1.99 2.12 2z8yP1 GLU 471 HG2 0.06 0.05 0.19 -0.04 2.34 2.60 2z8yP1 GLU 471 HG3 0.05 0.07 0.10 -0.04 2.34 2.52 2z8yP1 ALA 472 H 0.06 0.11 -0.16 -0.55 8.40 7.87 2z8yP1 ALA 472 HA 0.04 0.11 0.47 -0.75 4.34 4.20 2z8yP1 ALA 472 HB3 0.05 0.03 0.03 -0.04 1.41 1.48 2z8yP1 LYS 473 H 0.12 0.36 -0.26 -0.55 8.42 8.08 2z8yP1 LYS 473 HA 0.13 0.19 0.78 -0.75 4.32 4.67 2z8yP1 LYS 473 HB2 0.32 -0.09 0.03 -0.04 1.87 2.09 2z8yP1 LYS 473 HB3 0.39 0.04 0.07 -0.04 1.79 2.25 2z8yP1 LYS 473 HG2 0.14 0.07 -0.36 -0.04 1.46 1.27 2z8yP1 LYS 473 HG3 0.15 -0.05 -0.12 -0.04 1.46 1.39 2z8yP1 LYS 473 HD2 0.13 0.03 -0.07 -0.04 1.69 1.73 2z8yP1 LYS 473 HD3 0.21 -0.01 -0.06 -0.04 1.68 1.79 2z8yP1 LYS 473 HE2 0.15 0.03 -0.07 -0.04 2.99 3.06 2z8yP1 LYS 473 HE3 0.15 0.03 -0.05 -0.04 2.99 3.08 2z8yP1 VAL 474 H 0.10 0.41 -0.10 -0.55 8.24 8.10 2z8yP1 VAL 474 HA 0.03 0.07 0.47 -0.75 4.13 3.94 2z8yP1 VAL 474 HB 0.11 -0.02 -0.19 -0.04 2.12 1.98 2z8yP1 VAL 474 HG13 0.07 0.11 0.15 -0.04 0.97 1.25 2z8yP1 VAL 474 HG23 0.16 0.01 -0.07 -0.04 0.95 1.01 2z8yP1 LYS 475 H 0.03 0.39 0.11 -0.55 8.42 8.39 2z8yP1 LYS 475 HA -0.06 0.00 0.26 -0.75 4.32 3.77 2z8yP1 LYS 475 HB2 -0.00 0.08 0.10 -0.04 1.87 2.00 2z8yP1 LYS 475 HB3 -0.04 0.03 0.05 -0.04 1.79 1.79 2z8yP1 LYS 475 HG2 -0.01 0.00 0.02 -0.04 1.46 1.43 2z8yP1 LYS 475 HG3 0.03 -0.03 0.07 -0.04 1.46 1.48 2z8yP1 LYS 475 HD2 -0.01 0.02 0.02 -0.04 1.69 1.68 2z8yP1 LYS 475 HD3 0.01 0.03 0.04 -0.04 1.68 1.72 2z8yP1 LYS 475 HE2 0.02 -0.01 0.07 -0.04 2.99 3.03 2z8yP1 LYS 475 HE3 0.01 0.01 0.04 -0.04 2.99 3.00 2z8yP1 GLU 476 H -0.01 0.12 -0.56 -0.55 8.60 7.60 2z8yP1 GLU 476 HA -0.09 0.06 0.46 -0.75 4.29 3.97 2z8yP1 GLU 476 HB2 0.00 0.34 0.10 -0.04 2.09 2.50 2z8yP1 GLU 476 HB3 0.02 -0.01 -0.03 -0.04 1.99 1.92 2z8yP1 GLU 476 HG2 -0.06 -0.03 0.07 -0.04 2.34 2.28 2z8yP1 GLU 476 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 2z8yP1 TYR 477 H -0.05 0.44 -0.35 -0.55 8.29 7.79 2z8yP1 TYR 477 HA -0.16 0.11 0.83 -0.75 4.56 4.59 2z8yP1 TYR 477 HB2 -0.59 0.34 0.11 -0.04 3.06 2.87 2z8yP1 TYR 477 HB3 -0.42 -0.05 -0.06 -0.04 2.98 2.41 2z8yP1 TYR 477 HD2 -0.03 -0.01 -0.02 -0.04 7.15 7.05 2z8yP1 TYR 477 HE2 0.10 -0.00 -0.05 -0.04 6.85 6.86 2z8yP1 MET 478 H -0.18 0.47 -0.01 -0.55 8.47 8.21 2z8yP1 MET 478 HA -1.31 0.03 0.40 -0.75 4.52 2.88 2z8yP1 MET 478 HB2 -0.22 0.04 -0.12 -0.04 2.15 1.82 2z8yP1 MET 478 HB3 -0.22 0.07 -0.04 -0.04 2.03 1.80 2z8yP1 MET 478 HG2 -0.35 -0.04 -0.02 -0.04 2.63 2.18 2z8yP1 MET 478 HG3 -0.74 -0.04 -0.00 -0.04 2.56 1.73 2z8yP1 MET 478 HE3 -0.07 0.01 -0.02 -0.04 2.10 1.98 2z8yP1 GLU 479 H -0.23 0.23 -0.64 -0.55 8.60 7.43 2z8yP1 GLU 479 HA -0.21 0.03 0.44 -0.75 4.29 3.80 2z8yP1 GLU 479 HB2 -0.18 0.17 0.06 -0.04 2.09 2.10 2z8yP1 GLU 479 HB3 -0.14 0.00 -0.04 -0.04 1.99 1.77 2z8yP1 GLU 479 HG2 -0.13 0.17 0.03 -0.04 2.34 2.36 2z8yP1 GLU 479 HG3 -0.11 0.02 0.02 -0.04 2.34 2.23 2z8yP1 VAL 480 H -0.17 0.23 -0.05 -0.55 8.24 7.69 2z8yP1 VAL 480 HA -0.10 0.05 0.29 -0.75 4.13 3.62 2z8yP1 VAL 480 HB 0.01 0.09 0.03 -0.04 2.12 2.20 2z8yP1 VAL 480 HG13 0.03 0.00 -0.03 -0.04 0.97 0.93 2z8yP1 VAL 480 HG23 -0.10 0.00 0.07 -0.04 0.95 0.87 2z8yP1 ALA 481 H -0.29 -0.05 -1.56 -0.55 8.40 5.95 2z8yP1 ALA 481 HA -0.32 0.10 0.49 -0.75 4.34 3.85 2z8yP1 ALA 481 HB3 -0.48 0.03 -0.08 -0.04 1.41 0.84 2z8yP1 ARG 482 H -0.41 0.65 0.32 -0.55 8.46 8.47 2z8yP1 ARG 482 HA -0.37 -0.03 0.51 -0.75 4.34 3.69 2z8yP1 ARG 482 HB2 -0.24 0.07 0.15 -0.04 1.90 1.85 2z8yP1 ARG 482 HB3 -0.19 0.01 0.12 -0.04 1.80 1.70 2z8yP1 ARG 482 HG2 -0.11 -0.01 -0.05 -0.04 1.67 1.45 2z8yP1 ARG 482 HG3 -0.12 -0.03 0.11 -0.04 1.67 1.59 2z8yP1 ARG 482 HD2 -0.11 -0.00 -0.01 -0.04 3.22 3.06 2z8yP1 ARG 482 HD3 -0.07 0.00 -0.00 -0.04 3.22 3.11 2z8yP1 GLU 483 H -0.21 0.51 -0.35 -0.55 8.60 8.00 2z8yP1 GLU 483 HA -0.09 -0.02 0.76 -0.75 4.29 4.19 2z8yP1 GLU 483 HB2 -0.10 0.05 0.04 -0.04 2.09 2.04 2z8yP1 GLU 483 HB3 -0.06 0.02 0.17 -0.04 1.99 2.08 2z8yP1 GLU 483 HG2 -0.05 0.01 0.01 -0.04 2.34 2.28 2z8yP1 GLU 483 HG3 -0.05 -0.03 0.05 -0.04 2.34 2.27 2z8yP1 LYS 484 H -0.18 -0.01 -0.08 -0.55 8.42 7.59 2z8yP1 LYS 484 HA 0.04 0.03 0.14 -0.75 4.32 3.78 2z8yP1 LYS 484 HB2 0.05 0.09 0.25 -0.04 1.87 2.22 2z8yP1 LYS 484 HB3 0.22 -0.09 0.16 -0.04 1.79 2.04 2z8yP1 LYS 484 HG2 0.03 -0.06 0.32 -0.04 1.46 1.71 2z8yP1 LYS 484 HG3 0.01 0.37 0.30 -0.04 1.46 2.10 2z8yP1 LYS 484 HD2 0.11 0.03 0.13 -0.04 1.69 1.91 2z8yP1 LYS 484 HD3 0.07 -0.10 0.14 -0.04 1.68 1.76 2z8yP1 LYS 484 HE2 0.03 -0.03 0.12 -0.04 2.99 3.07 2z8yP1 LYS 484 HE3 0.04 0.07 0.11 -0.04 2.99 3.17 2z8yP1 TYR 485 H -0.10 0.27 0.21 -0.55 8.29 8.12 2z8yP1 TYR 485 HA 0.01 0.13 0.61 -0.75 4.56 4.56 2z8yP1 TYR 485 HB2 -0.00 0.08 0.11 -0.04 3.06 3.20 2z8yP1 TYR 485 HB3 0.01 0.01 0.21 -0.04 2.98 3.17 2z8yP1 TYR 485 HD2 0.02 -0.14 -0.08 -0.04 7.15 6.91 2z8yP1 TYR 485 HE2 0.07 -0.06 0.06 -0.04 6.85 6.87 2z8yP1 LYS 486 H 0.04 -0.12 -0.07 -0.55 8.42 7.72 2z8yP1 LYS 486 HA 0.05 0.25 0.83 -0.75 4.32 4.69 2z8yP1 LYS 486 HB2 -0.01 0.00 0.13 -0.04 1.87 1.95 2z8yP1 LYS 486 HB3 0.01 0.04 0.13 -0.04 1.79 1.93 2z8yP1 LYS 486 HG2 0.04 -0.17 -0.47 -0.04 1.46 0.82 2z8yP1 LYS 486 HG3 -0.02 0.17 0.09 -0.04 1.46 1.65 2z8yP1 LYS 486 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 2z8yP1 LYS 486 HD3 0.00 -0.01 0.04 -0.04 1.68 1.67 2z8yP1 LYS 486 HE2 0.02 -0.01 0.06 -0.04 2.99 3.02 2z8yP1 LYS 486 HE3 0.02 -0.03 0.14 -0.04 2.99 3.08 2z8yP1 GLU 487 H 0.02 -0.09 -0.06 -0.55 8.60 7.93 2z8yP1 GLU 487 HA 0.02 0.17 0.49 -0.75 4.29 4.21 2z8yP1 GLU 487 HB2 0.01 0.05 -0.01 -0.04 2.09 2.10 2z8yP1 GLU 487 HB3 -0.00 0.02 0.02 -0.04 1.99 1.99 2z8yP1 GLU 487 HG2 -0.00 0.16 -0.30 -0.04 2.34 2.16 2z8yP1 GLU 487 HG3 0.03 -0.22 -0.08 -0.04 2.34 2.04 2z8yP1 ARG 488 H 0.07 0.42 -0.03 -0.55 8.46 8.37 2z8yP1 ARG 488 HA 0.04 0.09 0.69 -0.75 4.34 4.41 2z8yP1 ARG 488 HB2 0.08 0.38 0.24 -0.04 1.90 2.56 2z8yP1 ARG 488 HB3 0.06 -0.03 0.05 -0.04 1.80 1.84 2z8yP1 ARG 488 HG2 0.04 -0.02 0.14 -0.04 1.67 1.79 2z8yP1 ARG 488 HG3 0.05 0.02 0.11 -0.04 1.67 1.81 2z8yP1 ARG 488 HD2 0.05 -0.06 0.07 -0.04 3.22 3.24 2z8yP1 ARG 488 HD3 0.04 0.12 0.13 -0.04 3.22 3.47 2z8yP1 ASP 489 H 0.05 0.04 -0.82 -0.55 8.40 7.12 2z8yP1 ASP 489 HA 0.04 0.09 0.45 -0.75 4.63 4.46 2z8yP1 ASP 489 HB2 0.04 0.30 0.07 -0.04 2.71 3.07 2z8yP1 ASP 489 HB3 0.03 -0.02 0.18 -0.04 2.70 2.85 2z8yP1 ASP 490 H 0.04 0.22 -1.22 -0.55 8.40 6.89 2z8yP1 ASP 490 HA 0.02 0.18 0.99 -0.75 4.63 5.06 2z8yP1 ASP 490 HB2 0.03 0.22 0.13 -0.04 2.71 3.05 2z8yP1 ASP 490 HB3 0.03 -0.01 0.04 -0.04 2.70 2.72 2z8yP1 ARG 491 H 0.05 0.19 0.10 -0.55 8.46 8.25 2z8yP1 ARG 491 HA 0.06 0.15 0.48 -0.75 4.34 4.27 2z8yP1 ARG 491 HB2 0.08 0.01 0.14 -0.04 1.90 2.09 2z8yP1 ARG 491 HB3 0.13 0.02 0.19 -0.04 1.80 2.10 2z8yP1 ARG 491 HG2 0.10 -0.00 0.08 -0.04 1.67 1.81 2z8yP1 ARG 491 HG3 0.08 0.06 0.08 -0.04 1.67 1.85 2z8yP1 ARG 491 HD2 0.05 0.02 0.04 -0.04 3.22 3.30 2z8yP1 ARG 491 HD3 0.05 -0.11 0.09 -0.04 3.22 3.21 2z8yP1 MET 492 H 0.04 -0.32 -1.86 -0.55 8.47 5.78 2z8yP1 MET 492 HA 0.05 0.14 0.46 -0.75 4.52 4.41 2z8yP1 MET 492 HB2 0.04 -0.18 -0.10 -0.04 2.15 1.86 2z8yP1 MET 492 HB3 0.03 0.04 -0.08 -0.04 2.03 1.98 2z8yP1 MET 492 HG2 0.06 0.05 -0.40 -0.04 2.63 2.31 2z8yP1 MET 492 HG3 0.05 -0.06 -0.20 -0.04 2.56 2.30 2z8yP1 MET 492 HE3 0.05 -0.02 -0.04 -0.04 2.10 2.05 2z8yP1 ARG 493 H 0.03 0.15 -0.36 -0.55 8.46 7.73 2z8yP1 ARG 493 HA 0.01 0.01 0.48 -0.75 4.34 4.09 2z8yP1 ARG 493 HB2 0.01 0.17 0.39 -0.04 1.90 2.43 2z8yP1 ARG 493 HB3 0.01 -0.04 0.32 -0.04 1.80 2.06 2z8yP1 ARG 493 HG2 0.01 -0.06 0.04 -0.04 1.67 1.62 2z8yP1 ARG 493 HG3 0.00 -0.00 -0.13 -0.04 1.67 1.50 2z8yP1 ARG 493 HD2 0.01 0.01 0.09 -0.04 3.22 3.29 2z8yP1 ARG 493 HD3 0.00 -0.04 0.04 -0.04 3.22 3.18 2z8yP1 GLY 494 H 0.01 0.44 -0.10 -0.55 8.43 8.23 2z8yP1 GLY 494 HA2 -0.00 0.16 0.79 -0.51 4.01 4.45 2z8yP1 GLY 494 HA3 0.00 -0.04 0.31 -0.51 4.01 3.77 2z8yP1 LEU 495 H -0.01 0.42 -0.30 -0.55 8.37 7.93 2z8yP1 LEU 495 HA -0.07 0.25 0.64 -0.75 4.35 4.42 2z8yP1 LEU 495 HB2 0.01 0.07 -0.15 -0.04 1.64 1.52 2z8yP1 LEU 495 HB3 -0.08 -0.08 0.13 -0.04 1.64 1.57 2z8yP1 LEU 495 HG -0.02 0.07 0.08 -0.04 1.64 1.73 2z8yP1 LEU 495 HD13 0.16 0.05 0.06 -0.04 0.93 1.16 2z8yP1 LEU 495 HD23 -0.36 -0.00 -0.02 -0.04 0.89 0.47 2z8yP1 THR 496 H -0.04 0.10 -0.16 -0.55 8.28 7.62 2z8yP1 THR 496 HA -0.04 0.18 0.70 -0.75 4.39 4.48 2z8yP1 THR 496 HB -0.01 -0.07 0.15 -0.04 4.32 4.35 2z8yP1 THR 496 HG23 -0.02 0.05 0.03 -0.04 1.22 1.24 2z8yP1 ASP 497 H 0.01 0.16 0.05 -0.55 8.40 8.07 2z8yP1 ASP 497 HA 0.03 0.12 0.50 -0.75 4.63 4.53 2z8yP1 ASP 497 HB2 0.19 -0.01 0.00 -0.04 2.71 2.86 2z8yP1 ASP 497 HB3 0.39 0.08 -0.06 -0.04 2.70 3.07 2z8yP1 GLU 498 H 0.03 -0.07 -0.31 -0.55 8.60 7.70 2z8yP1 GLU 498 HA 0.09 0.17 0.46 -0.75 4.29 4.27 2z8yP1 GLU 498 HB2 0.02 -0.08 0.08 -0.04 2.09 2.06 2z8yP1 GLU 498 HB3 0.03 0.05 -0.06 -0.04 1.99 1.98 2z8yP1 GLU 498 HG2 0.04 0.04 0.00 -0.04 2.34 2.38 2z8yP1 GLU 498 HG3 0.10 0.04 0.01 -0.04 2.34 2.46 2z8yP1 THR 499 H -0.02 -0.06 -0.18 -0.55 8.28 7.47 2z8yP1 THR 499 HA -0.01 0.12 0.54 -0.75 4.39 4.28 2z8yP1 THR 499 HB -0.02 0.05 0.19 -0.04 4.32 4.51 2z8yP1 THR 499 HG23 -0.01 -0.01 0.01 -0.04 1.22 1.17 2z8yP1 VAL 500 H -0.06 0.58 -0.85 -0.55 8.24 7.36 2z8yP1 VAL 500 HA -0.06 -0.02 0.33 -0.75 4.13 3.64 2z8yP1 VAL 500 HB -0.26 0.17 -0.16 -0.04 2.12 1.82 2z8yP1 VAL 500 HG13 -0.33 -0.02 -0.15 -0.04 0.97 0.42 2z8yP1 VAL 500 HG23 -0.18 -0.08 0.13 -0.04 0.95 0.78 2z8yP1 ASP 501 H -0.05 0.03 0.16 -0.55 8.40 7.99 2z8yP1 ASP 501 HA -0.24 0.27 0.96 -0.75 4.63 4.86 2z8yP1 ASP 501 HB2 -0.07 -0.07 0.12 -0.04 2.71 2.64 2z8yP1 ASP 501 HB3 -0.05 0.08 -0.03 -0.04 2.70 2.66 2z8yP1 THR 502 H -0.02 0.04 0.16 -0.55 8.28 7.91 2z8yP1 THR 502 HA -0.27 0.20 0.89 -0.75 4.39 4.46 2z8yP1 THR 502 HB 0.06 -0.06 0.11 -0.04 4.32 4.39 2z8yP1 THR 502 HG23 -0.59 0.01 -0.11 -0.04 1.22 0.49 2z8yP1 PHE 503 H -0.32 0.74 0.23 -0.55 8.34 8.44 2z8yP1 PHE 503 HA 0.21 0.16 0.70 -0.75 4.62 4.94 2z8yP1 PHE 503 HB2 -0.27 -0.02 0.00 -0.04 3.15 2.83 2z8yP1 PHE 503 HB3 -0.10 0.12 0.05 -0.04 3.06 3.08 2z8yP1 PHE 503 HD2 -0.26 0.06 0.09 -0.04 7.28 7.12 2z8yP1 PHE 503 HE2 -0.85 -0.05 -0.05 -0.04 7.38 6.39 2z8yP1 PHE 503 HZ -0.29 -0.04 -0.06 -0.04 7.32 6.89 2z8yP1 TYR 504 H 0.32 0.55 0.20 -0.55 8.29 8.82 2z8yP1 TYR 504 HA -0.13 0.49 1.19 -0.75 4.56 5.35 2z8yP1 TYR 504 HB2 -0.14 -0.12 -0.04 -0.04 3.06 2.72 2z8yP1 TYR 504 HB3 -0.16 0.10 -0.14 -0.04 2.98 2.74 2z8yP1 TYR 504 HD2 -0.64 0.03 -0.41 -0.04 7.15 6.08 2z8yP1 TYR 504 HE2 -0.47 0.00 -0.13 -0.04 6.85 6.21 2z8yP1 SER 505 H -0.15 0.64 0.27 -0.55 8.46 8.66 2z8yP1 SER 505 HA -0.00 0.25 0.87 -0.75 4.49 4.85 2z8yP1 SER 505 HB2 0.23 0.06 0.02 -0.04 3.95 4.22 2z8yP1 SER 505 HB3 -0.43 -0.00 0.05 -0.04 3.93 3.51 2z8yP1 CYS 506 H 0.02 0.63 0.27 -0.55 8.50 8.88 2z8yP1 CYS 506 HA 0.02 0.29 0.51 -0.75 4.58 4.65 2z8yP1 CYS 506 HB2 0.01 0.05 -0.08 -0.04 2.97 2.91 2z8yP1 CYS 506 HB3 0.02 -0.12 0.12 -0.04 2.97 2.95 2z8yP1 VAL 507 H 0.04 0.54 0.00 -0.55 8.24 8.27 2z8yP1 VAL 507 HA 0.02 0.17 0.67 -0.75 4.13 4.23 2z8yP1 VAL 507 HB 0.03 0.12 0.18 -0.04 2.12 2.41 2z8yP1 VAL 507 HG13 0.05 0.02 -0.08 -0.04 0.97 0.92 2z8yP1 VAL 507 HG23 0.05 0.10 0.02 -0.04 0.95 1.08 2z8yP1 LEU 508 H 0.03 0.02 -0.14 -0.55 8.37 7.73 2z8yP1 LEU 508 HA 0.02 0.18 0.27 -0.75 4.35 4.07 2z8yP1 LEU 508 HB2 0.00 0.00 0.05 -0.04 1.64 1.66 2z8yP1 LEU 508 HB3 -0.00 -0.13 0.06 -0.04 1.64 1.53 2z8yP1 LEU 508 HG -0.05 -0.01 -0.32 -0.04 1.64 1.23 2z8yP1 LEU 508 HD13 -0.00 0.04 0.01 -0.04 0.93 0.94 2z8yP1 LEU 508 HD23 -0.04 -0.01 -0.05 -0.04 0.89 0.75 2z8yP1 CYS 509 H 0.05 -0.02 -0.25 -0.55 8.50 7.73 2z8yP1 CYS 509 HA -0.02 0.13 0.28 -0.75 4.58 4.22 2z8yP1 CYS 509 HB2 0.14 0.05 -0.10 -0.04 2.97 3.02 2z8yP1 CYS 509 HB3 0.01 0.03 0.08 -0.04 2.97 3.05 2z8yP1 GLN 510 H 0.06 0.51 -0.75 -0.55 8.47 7.75 2z8yP1 GLN 510 HA 0.10 0.28 0.16 -0.75 4.36 4.14 2z8yP1 GLN 510 HB2 0.05 0.02 0.01 -0.04 2.15 2.18 2z8yP1 GLN 510 HB3 0.05 0.13 0.12 -0.04 2.02 2.28 2z8yP1 GLN 510 HG2 0.07 -0.00 -0.10 -0.04 2.40 2.32 2z8yP1 GLN 510 HG3 0.04 -0.18 0.02 -0.04 2.39 2.24 2z8yP1 GLN 510 HE21 -0.02 0.38 0.13 -0.04 6.97 7.41 2z8yP1 GLN 510 HE22 -0.01 0.44 0.01 -0.04 7.69 8.09 2z8yP1 SER 511 H 0.06 0.19 -0.37 -0.55 8.46 7.79 2z8yP1 SER 511 HA 0.03 0.09 0.56 -0.75 4.49 4.42 2z8yP1 SER 511 HB2 0.07 0.05 0.11 -0.04 3.95 4.14 2z8yP1 SER 511 HB3 0.12 -0.00 0.16 -0.04 3.93 4.16 2z8yP1 PHE 512 H 0.16 0.25 -0.30 -0.55 8.34 7.89 2z8yP1 PHE 512 HA 0.04 0.26 0.82 -0.75 4.62 4.98 2z8yP1 PHE 512 HB2 -0.25 -0.11 -0.05 -0.04 3.15 2.71 2z8yP1 PHE 512 HB3 0.03 -0.09 -0.10 -0.04 3.06 2.86 2z8yP1 PHE 512 HD2 0.00 -0.12 -0.17 -0.04 7.28 6.95 2z8yP1 PHE 512 HE2 -0.61 0.06 -0.09 -0.04 7.38 6.70 2z8yP1 PHE 512 HZ -0.17 0.19 0.04 -0.04 7.32 7.34 2z8yP1 ALA 513 H 0.15 0.65 0.11 -0.55 8.40 8.76 2z8yP1 ALA 513 HA 0.21 0.37 0.67 -0.75 4.34 4.84 2z8yP1 ALA 513 HB3 0.16 -0.05 0.07 -0.04 1.41 1.55 2z8yP1 PRO 514 HA 0.07 0.27 0.14 -0.51 4.44 4.41 2z8yP1 PRO 514 HB2 0.07 -0.01 0.03 -0.04 2.28 2.32 2z8yP1 PRO 514 HB3 0.05 0.02 0.07 -0.04 2.02 2.11 2z8yP1 PRO 514 HG2 0.13 0.01 0.04 -0.04 2.03 2.17 2z8yP1 PRO 514 HG3 0.09 0.11 -0.08 -0.04 2.03 2.10 2z8yP1 PRO 514 HD2 0.13 0.14 0.12 -0.04 3.68 4.03 2z8yP1 PRO 514 HD3 0.21 0.25 0.02 -0.04 3.65 4.09 2z8yP1 ASN 515 H 0.10 0.13 -0.24 -0.55 8.53 7.97 2z8yP1 ASN 515 HA 0.02 0.28 0.92 -0.75 4.76 5.22 2z8yP1 ASN 515 HB2 0.06 -0.03 -0.03 -0.04 2.88 2.84 2z8yP1 ASN 515 HB3 0.01 0.10 0.13 -0.04 2.79 2.98 2z8yP1 ASN 515 HD21 0.01 -0.06 -0.14 -0.04 7.03 6.80 2z8yP1 ASN 515 HD22 0.01 0.15 -0.28 -0.04 7.74 7.57 2z8yP1 HIS 516 H 0.17 0.57 -0.23 -0.55 8.41 8.37 2z8yP1 HIS 516 HA 0.05 0.08 0.35 -0.75 4.63 4.36 2z8yP1 HIS 516 HB2 0.08 0.10 -0.06 -0.04 3.26 3.34 2z8yP1 HIS 516 HB3 0.06 -0.03 -0.10 -0.04 3.20 3.09 2z8yP1 HIS 516 HD2 0.05 -0.14 -0.21 -0.04 6.97 6.62 2z8yP1 HIS 516 HE1 0.08 0.43 -0.36 -0.04 7.75 7.85 2z8yP1 VAL 517 H -1.01 0.16 0.02 -0.55 8.24 6.86 2z8yP1 VAL 517 HA -0.20 0.17 0.58 -0.75 4.13 3.92 2z8yP1 VAL 517 HB -0.09 -0.07 -0.01 -0.04 2.12 1.91 2z8yP1 VAL 517 HG13 0.06 -0.03 -0.20 -0.04 0.97 0.76 2z8yP1 VAL 517 HG23 -0.06 0.06 -0.43 -0.04 0.95 0.49 2z8yP1 CYS 518 H -0.12 0.80 0.31 -0.55 8.50 8.94 2z8yP1 CYS 518 HA -0.03 0.18 0.87 -0.75 4.58 4.85 2z8yP1 CYS 518 HB2 0.02 0.01 0.21 -0.04 2.97 3.16 2z8yP1 CYS 518 HB3 0.03 -0.00 -0.04 -0.04 2.97 2.91 2z8yP1 ILE 519 H -0.02 0.22 0.10 -0.55 8.25 8.00 2z8yP1 ILE 519 HA -0.02 0.25 0.99 -0.75 4.18 4.65 2z8yP1 ILE 519 HB -0.08 -0.03 0.11 -0.04 1.89 1.86 2z8yP1 ILE 519 HG12 0.01 0.03 -0.21 -0.04 1.49 1.27 2z8yP1 ILE 519 HG13 0.02 -0.05 -0.09 -0.04 1.21 1.04 2z8yP1 ILE 519 HG23 -0.12 -0.01 -0.18 -0.04 0.93 0.58 2z8yP1 ILE 519 HD13 0.04 0.04 -0.09 -0.04 0.88 0.83 2z8yP1 VAL 520 H 0.01 0.88 0.17 -0.55 8.24 8.75 2z8yP1 VAL 520 HA -0.02 0.34 0.84 -0.75 4.13 4.53 2z8yP1 VAL 520 HB 0.15 0.01 -0.08 -0.04 2.12 2.15 2z8yP1 VAL 520 HG13 0.13 -0.06 -0.23 -0.04 0.97 0.77 2z8yP1 VAL 520 HG23 0.03 0.01 -0.23 -0.04 0.95 0.72 2z8yP1 THR 521 H -0.01 0.66 0.21 -0.55 8.28 8.59 2z8yP1 THR 521 HA -0.11 0.19 0.73 -0.75 4.39 4.45 2z8yP1 THR 521 HB -0.78 0.03 0.01 -0.04 4.32 3.53 2z8yP1 THR 521 HG23 -1.34 0.05 -0.31 -0.04 1.22 -0.42 2z8yP1 PRO 522 HA 0.07 -0.07 0.29 -0.51 4.44 4.23 2z8yP1 PRO 522 HB2 -0.18 -0.07 -0.29 -0.04 2.28 1.70 2z8yP1 PRO 522 HB3 -0.24 0.19 -0.04 -0.04 2.02 1.89 2z8yP1 PRO 522 HG2 -0.63 0.17 -0.17 -0.04 2.03 1.36 2z8yP1 PRO 522 HG3 -1.65 0.05 -0.01 -0.04 2.03 0.38 2z8yP1 PRO 522 HD2 -0.40 0.15 0.16 -0.04 3.68 3.54 2z8yP1 PRO 522 HD3 -1.94 0.17 0.16 -0.04 3.65 2.00 2z8yP1 GLU 523 H -0.02 0.04 -0.53 -0.55 8.60 7.53 2z8yP1 GLU 523 HA 0.09 0.26 1.00 -0.75 4.29 4.88 2z8yP1 GLU 523 HB2 0.10 0.03 -0.02 -0.04 2.09 2.15 2z8yP1 GLU 523 HB3 0.09 -0.15 0.20 -0.04 1.99 2.08 2z8yP1 GLU 523 HG2 0.01 0.22 -0.09 -0.04 2.34 2.44 2z8yP1 GLU 523 HG3 -0.01 -0.09 -0.14 -0.04 2.34 2.06 2z8yP1 ARG 524 H 0.03 0.87 -0.01 -0.55 8.46 8.79 2z8yP1 ARG 524 HA 0.08 0.10 0.66 -0.75 4.34 4.43 2z8yP1 ARG 524 HB2 0.12 0.05 -0.02 -0.04 1.90 2.00 2z8yP1 ARG 524 HB3 -0.10 -0.08 0.17 -0.04 1.80 1.76 2z8yP1 ARG 524 HG2 -0.29 0.09 -0.05 -0.04 1.67 1.37 2z8yP1 ARG 524 HG3 -1.06 -0.02 0.09 -0.04 1.67 0.64 2z8yP1 ARG 524 HD2 -0.11 0.21 0.13 -0.04 3.22 3.41 2z8yP1 ARG 524 HD3 -0.16 -0.04 0.09 -0.04 3.22 3.06 2z8yP1 VAL 525 H 0.10 0.10 -0.11 -0.55 8.24 7.78 2z8yP1 VAL 525 HA 0.07 -0.03 0.53 -0.75 4.13 3.94 2z8yP1 VAL 525 HB 0.11 0.00 -0.00 -0.04 2.12 2.19 2z8yP1 VAL 525 HG13 0.10 0.05 -0.22 -0.04 0.97 0.86 2z8yP1 VAL 525 HG23 0.07 -0.02 -0.08 -0.04 0.95 0.89 2z8yP1 GLY 526 H 0.04 0.53 0.21 -0.55 8.43 8.67 2z8yP1 GLY 526 HA2 0.03 0.13 0.52 -0.51 4.01 4.18 2z8yP1 GLY 526 HA3 0.04 0.00 0.33 -0.51 4.01 3.87 2z8yP1 LEU 527 H 0.08 0.26 0.13 -0.55 8.37 8.30 2z8yP1 LEU 527 HA 0.10 -0.16 0.30 -0.75 4.35 3.83 2z8yP1 LEU 527 HB2 0.22 -0.08 -0.25 -0.04 1.64 1.48 2z8yP1 LEU 527 HB3 0.13 0.36 -0.02 -0.04 1.64 2.06 2z8yP1 LEU 527 HG 0.13 -0.14 0.09 -0.04 1.64 1.68 2z8yP1 LEU 527 HD13 0.12 -0.01 -0.26 -0.04 0.93 0.75 2z8yP1 LEU 527 HD23 0.21 0.05 0.04 -0.04 0.89 1.15 2z8yP1 CYS 528 H 0.05 0.03 -0.51 -0.55 8.50 7.52 2z8yP1 CYS 528 HA 0.01 0.28 0.37 -0.75 4.58 4.49 2z8yP1 CYS 528 HB2 -0.03 0.12 0.07 -0.04 2.97 3.09 2z8yP1 CYS 528 HB3 -0.01 0.00 -0.03 -0.04 2.97 2.89 2z8yP1 GLY 529 H 0.05 0.45 -0.45 -0.55 8.43 7.94 2z8yP1 GLY 529 HA2 0.05 -0.07 0.31 -0.51 4.01 3.79 2z8yP1 GLY 529 HA3 0.02 0.23 0.74 -0.51 4.01 4.49 2z8yP1 ALA 530 H 0.00 0.18 -0.72 -0.55 8.40 7.31 2z8yP1 ALA 530 HA 0.00 0.12 0.12 -0.75 4.34 3.83 2z8yP1 ALA 530 HB3 -0.01 0.03 -0.03 -0.04 1.41 1.35 2z8yP1 VAL 531 H 0.01 -0.03 -0.24 -0.55 8.24 7.44 2z8yP1 VAL 531 HA -0.00 0.25 0.88 -0.75 4.13 4.50 2z8yP1 VAL 531 HB 0.01 -0.12 0.10 -0.04 2.12 2.07 2z8yP1 VAL 531 HG13 -0.02 0.03 -0.20 -0.04 0.97 0.74 2z8yP1 VAL 531 HG23 -0.01 0.01 -0.15 -0.04 0.95 0.77 2z8yP1 SER 532 H 0.02 0.22 0.15 -0.55 8.46 8.30 2z8yP1 SER 532 HA 0.09 0.11 0.76 -0.75 4.49 4.69 2z8yP1 SER 532 HB2 0.11 0.02 0.09 -0.04 3.95 4.13 2z8yP1 SER 532 HB3 0.06 0.16 0.01 -0.04 3.93 4.12 2z8yP1 TRP 533 H 0.28 0.21 -0.03 -0.55 7.97 7.89 2z8yP1 TRP 533 HA 0.04 0.13 0.09 -0.75 4.62 4.12 2z8yP1 TRP 533 HB2 0.04 -0.07 -0.32 -0.04 3.23 2.84 2z8yP1 TRP 533 HB3 0.06 0.03 0.03 -0.04 3.23 3.31 2z8yP1 TRP 533 HD1 0.15 0.10 -0.24 -0.04 7.22 7.19 2z8yP1 TRP 533 HE1 0.33 0.15 0.01 -0.04 10.20 10.64 2z8yP1 TRP 533 HE3 0.08 -0.04 -0.13 -0.04 7.59 7.45 2z8yP1 TRP 533 HZ2 0.20 0.04 0.03 -0.04 7.44 7.66 2z8yP1 TRP 533 HZ3 0.09 0.02 -0.02 -0.04 7.13 7.18 2z8yP1 TRP 533 HH2 0.15 -0.02 0.01 -0.04 7.19 7.29 2z8yP1 LEU 534 H 0.26 0.11 -0.12 -0.55 8.37 8.07 2z8yP1 LEU 534 HA -0.22 0.10 0.44 -0.75 4.35 3.92 2z8yP1 LEU 534 HB2 0.07 -0.04 0.02 -0.04 1.64 1.65 2z8yP1 LEU 534 HB3 0.03 0.06 -0.06 -0.04 1.64 1.62 2z8yP1 LEU 534 HG 0.43 -0.05 0.04 -0.04 1.64 2.01 2z8yP1 LEU 534 HD13 0.15 0.03 0.01 -0.04 0.93 1.07 2z8yP1 LEU 534 HD23 0.19 0.03 0.02 -0.04 0.89 1.09 2z8yP1 ASP 535 H -0.02 0.04 -0.16 -0.55 8.40 7.71 2z8yP1 ASP 535 HA -0.08 0.05 0.42 -0.75 4.63 4.27 2z8yP1 ASP 535 HB2 -0.04 0.02 0.12 -0.04 2.71 2.76 2z8yP1 ASP 535 HB3 -0.04 0.10 0.02 -0.04 2.70 2.74 2z8yP1 ALA 536 H -0.18 0.62 -0.36 -0.55 8.40 7.93 2z8yP1 ALA 536 HA -0.20 0.03 0.18 -0.75 4.34 3.59 2z8yP1 ALA 536 HB3 -0.22 0.03 -0.11 -0.04 1.41 1.07 2z8yP1 LYS 537 H -0.76 0.48 -0.12 -0.55 8.42 7.46 2z8yP1 LYS 537 HA -1.64 0.02 0.26 -0.75 4.32 2.21 2z8yP1 LYS 537 HB2 -1.22 0.07 0.11 -0.04 1.87 0.79 2z8yP1 LYS 537 HB3 -0.49 0.03 0.15 -0.04 1.79 1.44 2z8yP1 LYS 537 HG2 -0.46 0.01 -0.02 -0.04 1.46 0.94 2z8yP1 LYS 537 HG3 -0.67 -0.03 -0.03 -0.04 1.46 0.68 2z8yP1 LYS 537 HD2 -0.14 0.01 -0.13 -0.04 1.69 1.39 2z8yP1 LYS 537 HD3 -0.08 -0.01 -0.15 -0.04 1.68 1.40 2z8yP1 LYS 537 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 2z8yP1 LYS 537 HE3 0.05 -0.06 -0.04 -0.04 2.99 2.90 2z8yP1 ALA 538 H -0.32 0.70 -0.06 -0.55 8.40 8.18 2z8yP1 ALA 538 HA -0.30 -0.08 0.29 -0.75 4.34 3.50 2z8yP1 ALA 538 HB3 -0.29 0.01 0.04 -0.04 1.41 1.13 2z8yP1 SER 539 H -0.20 0.60 -0.10 -0.55 8.46 8.21 2z8yP1 SER 539 HA -0.10 -0.02 0.29 -0.75 4.49 3.91 2z8yP1 SER 539 HB2 -0.08 -0.06 0.06 -0.04 3.95 3.84 2z8yP1 SER 539 HB3 -0.13 0.13 0.06 -0.04 3.93 3.95 2z8yP1 TYR 540 H -0.18 0.38 -0.63 -0.55 8.29 7.31 2z8yP1 TYR 540 HA -0.14 0.25 0.45 -0.75 4.56 4.36 2z8yP1 TYR 540 HB2 -0.15 -0.02 -0.09 -0.04 3.06 2.76 2z8yP1 TYR 540 HB3 -0.27 0.05 0.14 -0.04 2.98 2.87 2z8yP1 TYR 540 HD2 -0.06 0.08 0.06 -0.04 7.15 7.19 2z8yP1 TYR 540 HE2 -0.11 0.01 0.08 -0.04 6.85 6.78 2z8yP1 GLU 541 H -0.22 0.32 0.09 -0.55 8.60 8.24 2z8yP1 GLU 541 HA -0.51 -0.01 0.37 -0.75 4.29 3.39 2z8yP1 GLU 541 HB2 0.02 0.00 -0.01 -0.04 2.09 2.06 2z8yP1 GLU 541 HB3 -0.01 -0.07 0.07 -0.04 1.99 1.94 2z8yP1 GLU 541 HG2 -0.14 0.14 0.14 -0.04 2.34 2.44 2z8yP1 GLU 541 HG3 -0.01 -0.09 -0.01 -0.04 2.34 2.19 2z8yP1 ILE 542 H -0.19 0.47 -0.33 -0.55 8.25 7.64 2z8yP1 ILE 542 HA -0.03 0.04 0.38 -0.75 4.18 3.83 2z8yP1 ILE 542 HB -0.05 -0.04 -0.03 -0.04 1.89 1.72 2z8yP1 ILE 542 HG12 -0.03 -0.09 -0.13 -0.04 1.49 1.20 2z8yP1 ILE 542 HG13 -0.05 0.17 -0.24 -0.04 1.21 1.05 2z8yP1 ILE 542 HG23 -0.47 0.07 -0.12 -0.04 0.93 0.37 2z8yP1 ILE 542 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.71 2z8yP1 ASN 543 H -0.06 0.48 -0.30 -0.55 8.53 8.10 2z8yP1 ASN 543 HA 0.05 -0.01 0.43 -0.75 4.76 4.49 2z8yP1 ASN 543 HB2 0.01 0.13 0.05 -0.04 2.88 3.04 2z8yP1 ASN 543 HB3 0.01 0.03 0.10 -0.04 2.79 2.90 2z8yP1 ASN 543 HD21 0.04 0.02 -0.16 -0.04 7.03 6.89 2z8yP1 ASN 543 HD22 0.02 0.04 -0.03 -0.04 7.74 7.74 2z8yP1 HIS 544 H 0.19 0.08 0.11 -0.55 8.41 8.23 2z8yP1 HIS 544 HA 0.14 0.26 0.42 -0.75 4.63 4.70 2z8yP1 HIS 544 HB2 0.02 -0.07 0.13 -0.04 3.26 3.31 2z8yP1 HIS 544 HB3 0.13 -0.02 0.03 -0.04 3.20 3.29 2z8yP1 HIS 544 HD2 -0.20 0.16 -0.04 -0.04 6.97 6.85 2z8yP1 HIS 544 HE1 -0.09 -0.08 0.00 -0.04 7.75 7.54 2z8yP1 ALA 545 H 0.14 -0.00 -0.05 -0.55 8.40 7.93 2z8yP1 ALA 545 HA 0.12 0.15 0.63 -0.75 4.34 4.49 2z8yP1 ALA 545 HB3 0.07 -0.01 0.08 -0.04 1.41 1.50 2z8yP1 GLY 546 H 0.12 0.30 -0.74 -0.55 8.43 7.56 2z8yP1 GLY 546 HA2 0.05 0.03 0.17 -0.51 4.01 3.76 2z8yP1 GLY 546 HA3 0.06 0.11 0.24 -0.51 4.01 3.91 2z8yP1 PRO 547 HA 0.05 0.11 0.24 -0.51 4.44 4.33 2z8yP1 PRO 547 HB2 0.02 -0.19 -0.07 -0.04 2.28 2.00 2z8yP1 PRO 547 HB3 0.03 0.10 -0.00 -0.04 2.02 2.11 2z8yP1 PRO 547 HG2 0.00 -0.01 0.04 -0.04 2.03 2.02 2z8yP1 PRO 547 HG3 0.01 0.05 0.06 -0.04 2.03 2.11 2z8yP1 PRO 547 HD2 0.03 0.10 0.19 -0.04 3.68 3.96 2z8yP1 PRO 547 HD3 0.04 0.17 0.14 -0.04 3.65 3.96 2z8yP1 ASN 548 H 0.02 0.09 -0.47 -0.55 8.53 7.63 2z8yP1 ASN 548 HA 0.01 0.28 0.83 -0.75 4.76 5.14 2z8yP1 ASN 548 HB2 -0.04 0.02 -0.06 -0.04 2.88 2.76 2z8yP1 ASN 548 HB3 -0.06 -0.01 -0.06 -0.04 2.79 2.62 2z8yP1 ASN 548 HD21 -0.01 -0.22 -0.06 -0.04 7.03 6.70 2z8yP1 ASN 548 HD22 -0.00 0.68 0.21 -0.04 7.74 8.58 2z8yP1 GLN 549 H -0.01 0.26 0.26 -0.55 8.47 8.43 2z8yP1 GLN 549 HA -0.32 0.27 0.90 -0.75 4.36 4.46 2z8yP1 GLN 549 HB2 0.04 0.09 -0.29 -0.04 2.15 1.94 2z8yP1 GLN 549 HB3 -0.15 -0.11 -0.04 -0.04 2.02 1.68 2z8yP1 GLN 549 HG2 0.05 -0.09 0.00 -0.04 2.40 2.32 2z8yP1 GLN 549 HG3 -0.28 0.01 0.16 -0.04 2.39 2.24 2z8yP1 GLN 549 HE21 0.10 0.14 0.02 -0.04 6.97 7.19 2z8yP1 GLN 549 HE22 -0.05 0.31 0.10 -0.04 7.69 8.01 2z8yP1 PRO 550 HA -0.77 0.17 0.72 -0.51 4.44 4.06 2z8yP1 PRO 550 HB2 -0.28 -0.05 -0.03 -0.04 2.28 1.88 2z8yP1 PRO 550 HB3 -0.26 -0.02 0.07 -0.04 2.02 1.77 2z8yP1 PRO 550 HG2 -0.30 0.01 0.15 -0.04 2.03 1.84 2z8yP1 PRO 550 HG3 -0.46 0.01 0.08 -0.04 2.03 1.62 2z8yP1 PRO 550 HD2 -0.70 0.16 0.26 -0.04 3.68 3.37 2z8yP1 PRO 550 HD3 -1.74 0.15 0.14 -0.04 3.65 2.17 2z8yP1 ILE 551 H -0.45 1.24 0.43 -0.55 8.25 8.92 2z8yP1 ILE 551 HA -0.28 0.23 0.74 -0.75 4.18 4.11 2z8yP1 ILE 551 HB -0.19 -0.18 -0.04 -0.04 1.89 1.44 2z8yP1 ILE 551 HG12 -0.73 0.09 -0.40 -0.04 1.49 0.41 2z8yP1 ILE 551 HG13 -0.29 -0.00 -0.39 -0.04 1.21 0.49 2z8yP1 ILE 551 HG23 -0.15 0.01 -0.06 -0.04 0.93 0.69 2z8yP1 ILE 551 HD13 -0.36 -0.02 -0.12 -0.04 0.88 0.35 2z8yP1 PRO 552 HA -0.21 0.20 0.87 -0.51 4.44 4.79 2z8yP1 PRO 552 HB2 -0.06 -0.09 0.07 -0.04 2.28 2.17 2z8yP1 PRO 552 HB3 -0.08 0.05 0.13 -0.04 2.02 2.08 2z8yP1 PRO 552 HG2 -0.04 0.03 0.07 -0.04 2.03 2.05 2z8yP1 PRO 552 HG3 -0.08 0.07 -0.00 -0.04 2.03 1.98 2z8yP1 PRO 552 HD2 -0.06 0.04 0.20 -0.04 3.68 3.82 2z8yP1 PRO 552 HD3 -0.12 0.27 0.11 -0.04 3.65 3.87 2z8yP1 LYS 553 H -0.22 0.63 0.26 -0.55 8.42 8.53 2z8yP1 LYS 553 HA -0.29 0.05 0.42 -0.75 4.32 3.75 2z8yP1 LYS 553 HB2 -0.33 0.18 0.17 -0.04 1.87 1.85 2z8yP1 LYS 553 HB3 -0.02 -0.05 0.22 -0.04 1.79 1.89 2z8yP1 LYS 553 HG2 -1.66 -0.09 -0.03 -0.04 1.46 -0.36 2z8yP1 LYS 553 HG3 -1.35 -0.00 -0.16 -0.04 1.46 -0.10 2z8yP1 LYS 553 HD2 -1.37 -0.02 -0.09 -0.04 1.69 0.16 2z8yP1 LYS 553 HD3 -0.94 -0.05 -0.20 -0.04 1.68 0.44 2z8yP1 LYS 553 HE2 -0.13 -0.02 0.20 -0.04 2.99 3.00 2z8yP1 LYS 553 HE3 0.19 -0.17 0.07 -0.04 2.99 3.05 2z8yP1 GLU 554 H 0.02 0.23 -0.36 -0.55 8.60 7.94 2z8yP1 GLU 554 HA 0.09 0.06 0.61 -0.75 4.29 4.30 2z8yP1 GLU 554 HB2 0.04 0.05 0.10 -0.04 2.09 2.23 2z8yP1 GLU 554 HB3 0.04 0.03 -0.04 -0.04 1.99 1.98 2z8yP1 GLU 554 HG2 0.03 0.02 0.02 -0.04 2.34 2.36 2z8yP1 GLU 554 HG3 0.03 -0.01 -0.01 -0.04 2.34 2.30 2z8yP1 GLY 555 H 0.09 0.12 0.26 -0.55 8.43 8.36 2z8yP1 GLY 555 HA2 0.03 0.12 0.30 -0.51 4.01 3.95 2z8yP1 GLY 555 HA3 0.07 0.14 0.94 -0.51 4.01 4.64 2z8yP1 GLU 556 H -0.00 0.06 0.18 -0.55 8.60 8.29 2z8yP1 GLU 556 HA -0.67 0.04 0.55 -0.75 4.29 3.45 2z8yP1 GLU 556 HB2 -0.10 -0.03 0.22 -0.04 2.09 2.14 2z8yP1 GLU 556 HB3 -0.22 0.04 0.09 -0.04 1.99 1.86 2z8yP1 GLU 556 HG2 -1.09 -0.01 -0.05 -0.04 2.34 1.15 2z8yP1 GLU 556 HG3 -0.43 0.06 0.04 -0.04 2.34 1.97 2z8yP1 ILE 557 H -0.34 0.51 0.40 -0.55 8.25 8.27 2z8yP1 ILE 557 HA -0.11 0.14 0.70 -0.75 4.18 4.15 2z8yP1 ILE 557 HB -0.10 -0.04 -0.02 -0.04 1.89 1.69 2z8yP1 ILE 557 HG12 -0.04 -0.01 -0.03 -0.04 1.49 1.37 2z8yP1 ILE 557 HG13 -0.05 0.10 -0.10 -0.04 1.21 1.12 2z8yP1 ILE 557 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.68 2z8yP1 ILE 557 HD13 0.00 -0.01 -0.14 -0.04 0.88 0.69 2z8yP1 ASP 558 H -0.29 0.24 0.19 -0.55 8.40 7.99 2z8yP1 ASP 558 HA -0.15 0.26 0.49 -0.75 4.63 4.47 2z8yP1 ASP 558 HB2 -0.08 0.21 0.06 -0.04 2.71 2.86 2z8yP1 ASP 558 HB3 -0.09 -0.03 0.09 -0.04 2.70 2.63 2z8yP1 PRO 559 HA -0.34 0.07 0.57 -0.51 4.44 4.23 2z8yP1 PRO 559 HB2 -0.03 0.08 0.06 -0.04 2.28 2.35 2z8yP1 PRO 559 HB3 -0.16 0.05 0.08 -0.04 2.02 1.94 2z8yP1 PRO 559 HG2 -0.07 0.08 0.00 -0.04 2.03 2.00 2z8yP1 PRO 559 HG3 -0.15 0.08 -0.02 -0.04 2.03 1.90 2z8yP1 PRO 559 HD2 -0.09 0.13 0.11 -0.04 3.68 3.78 2z8yP1 PRO 559 HD3 -0.17 0.26 -0.06 -0.04 3.65 3.65 2z8yP1 ILE 560 H -0.02 0.01 -0.28 -0.55 8.25 7.41 2z8yP1 ILE 560 HA 0.09 0.28 0.90 -0.75 4.18 4.69 2z8yP1 ILE 560 HB 0.02 0.02 -0.07 -0.04 1.89 1.82 2z8yP1 ILE 560 HG12 -0.02 -0.14 -0.05 -0.04 1.49 1.24 2z8yP1 ILE 560 HG13 -0.01 0.07 -0.03 -0.04 1.21 1.20 2z8yP1 ILE 560 HG23 0.01 0.03 0.01 -0.04 0.93 0.94 2z8yP1 ILE 560 HD13 -0.01 0.04 -0.14 -0.04 0.88 0.73 2z8yP1 LYS 561 H 0.03 -0.04 -0.05 -0.55 8.42 7.80 2z8yP1 LYS 561 HA 0.12 0.14 0.56 -0.75 4.32 4.39 2z8yP1 LYS 561 HB2 -0.02 -0.04 0.01 -0.04 1.87 1.78 2z8yP1 LYS 561 HB3 0.01 0.06 -0.08 -0.04 1.79 1.74 2z8yP1 LYS 561 HG2 0.03 0.05 -0.08 -0.04 1.46 1.42 2z8yP1 LYS 561 HG3 0.01 -0.03 -0.10 -0.04 1.46 1.30 2z8yP1 LYS 561 HD2 -0.01 -0.01 -0.06 -0.04 1.69 1.57 2z8yP1 LYS 561 HD3 0.01 0.02 -0.09 -0.04 1.68 1.58 2z8yP1 LYS 561 HE2 0.01 0.03 -0.08 -0.04 2.99 2.90 2z8yP1 LYS 561 HE3 0.00 0.00 -0.06 -0.04 2.99 2.89 2z8yP1 GLY 562 H 0.00 -0.01 -0.09 -0.55 8.43 7.79 2z8yP1 GLY 562 HA2 -0.33 0.03 0.29 -0.51 4.01 3.49 2z8yP1 GLY 562 HA3 -0.24 0.01 0.40 -0.51 4.01 3.67 2z8yP1 ILE 563 H -0.33 0.44 0.21 -0.55 8.25 8.02 2z8yP1 ILE 563 HA 0.14 0.41 1.08 -0.75 4.18 5.06 2z8yP1 ILE 563 HB -0.10 -0.21 0.09 -0.04 1.89 1.64 2z8yP1 ILE 563 HG12 -0.02 0.11 -0.35 -0.04 1.49 1.19 2z8yP1 ILE 563 HG13 -0.09 -0.12 0.01 -0.04 1.21 0.97 2z8yP1 ILE 563 HG23 0.04 0.09 0.01 -0.04 0.93 1.02 2z8yP1 ILE 563 HD13 -0.01 0.03 -0.11 -0.04 0.88 0.74 2z8yP1 TRP 564 H 0.42 0.29 0.13 -0.55 7.97 8.26 2z8yP1 TRP 564 HA 0.01 0.15 0.85 -0.75 4.62 4.88 2z8yP1 TRP 564 HB2 0.04 0.04 -0.01 -0.04 3.23 3.25 2z8yP1 TRP 564 HB3 0.01 -0.12 -0.20 -0.04 3.23 2.88 2z8yP1 TRP 564 HD1 -0.04 0.07 -0.31 -0.04 7.22 6.90 2z8yP1 TRP 564 HE1 -0.05 0.09 0.03 -0.04 10.20 10.22 2z8yP1 TRP 564 HE3 0.02 0.06 -0.43 -0.04 7.59 7.19 2z8yP1 TRP 564 HZ2 0.09 0.07 -0.05 -0.04 7.44 7.50 2z8yP1 TRP 564 HZ3 -0.22 0.03 -0.06 -0.04 7.13 6.84 2z8yP1 TRP 564 HH2 0.26 0.03 -0.08 -0.04 7.19 7.36 2z8yP1 LYS 565 H 0.14 0.46 0.04 -0.55 8.42 8.51 2z8yP1 LYS 565 HA 0.08 0.09 0.51 -0.75 4.32 4.24 2z8yP1 LYS 565 HB2 0.04 0.04 0.21 -0.04 1.87 2.12 2z8yP1 LYS 565 HB3 0.08 0.04 0.44 -0.04 1.79 2.31 2z8yP1 LYS 565 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 2z8yP1 LYS 565 HG3 0.05 0.02 -0.13 -0.04 1.46 1.37 2z8yP1 LYS 565 HD2 0.03 -0.00 0.01 -0.04 1.69 1.69 2z8yP1 LYS 565 HD3 0.03 -0.00 0.10 -0.04 1.68 1.77 2z8yP1 LYS 565 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 2z8yP1 LYS 565 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2z8yP1 SER 566 H 0.18 0.17 -0.12 -0.55 8.46 8.14 2z8yP1 SER 566 HA 0.09 0.07 0.21 -0.75 4.49 4.12 2z8yP1 SER 566 HB2 0.03 0.09 0.10 -0.04 3.95 4.13 2z8yP1 SER 566 HB3 0.05 -0.04 0.12 -0.04 3.93 4.02 2z8yP1 VAL 567 H 0.20 -0.07 -0.45 -0.55 8.24 7.37 2z8yP1 VAL 567 HA 0.09 0.11 0.44 -0.75 4.13 4.02 2z8yP1 VAL 567 HB 0.29 -0.14 0.06 -0.04 2.12 2.29 2z8yP1 VAL 567 HG13 0.14 0.03 -0.12 -0.04 0.97 0.98 2z8yP1 VAL 567 HG23 -0.00 0.01 -0.11 -0.04 0.95 0.81 2z8yP1 ASN 568 H 0.16 0.42 0.02 -0.55 8.53 8.58 2z8yP1 ASN 568 HA 0.12 0.01 0.37 -0.75 4.76 4.50 2z8yP1 ASN 568 HB2 0.09 0.06 0.22 -0.04 2.88 3.22 2z8yP1 ASN 568 HB3 0.07 0.12 0.11 -0.04 2.79 3.05 2z8yP1 ASN 568 HD21 0.10 0.04 0.20 -0.04 7.03 7.33 2z8yP1 ASN 568 HD22 0.16 -0.05 0.23 -0.04 7.74 8.03 2z8yP1 ASP 569 H 0.12 0.46 -0.32 -0.55 8.40 8.11 2z8yP1 ASP 569 HA 0.07 -0.01 0.33 -0.75 4.63 4.27 2z8yP1 ASP 569 HB2 0.10 0.03 0.19 -0.04 2.71 2.99 2z8yP1 ASP 569 HB3 0.10 -0.02 -0.00 -0.04 2.70 2.73 2z8yP1 TYR 570 H 0.22 0.47 -0.08 -0.55 8.29 8.35 2z8yP1 TYR 570 HA 0.04 -0.03 0.38 -0.75 4.56 4.19 2z8yP1 TYR 570 HB2 0.01 0.06 0.20 -0.04 3.06 3.29 2z8yP1 TYR 570 HB3 0.02 0.06 0.17 -0.04 2.98 3.20 2z8yP1 TYR 570 HD2 -0.00 -0.01 -0.10 -0.04 7.15 7.00 2z8yP1 TYR 570 HE2 -0.02 0.01 -0.06 -0.04 6.85 6.74 2z8yP1 LEU 571 H 0.21 0.56 -0.05 -0.55 8.37 8.53 2z8yP1 LEU 571 HA 0.04 -0.02 0.39 -0.75 4.35 4.00 2z8yP1 LEU 571 HB2 0.13 -0.01 -0.03 -0.04 1.64 1.68 2z8yP1 LEU 571 HB3 0.12 0.19 -0.06 -0.04 1.64 1.85 2z8yP1 LEU 571 HG 0.07 0.07 -0.35 -0.04 1.64 1.39 2z8yP1 LEU 571 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.86 2z8yP1 LEU 571 HD23 0.08 -0.04 -0.24 -0.04 0.89 0.64 2z8yP1 TYR 572 H 0.17 0.50 -0.29 -0.55 8.29 8.11 2z8yP1 TYR 572 HA -0.01 0.11 0.36 -0.75 4.56 4.28 2z8yP1 TYR 572 HB2 0.01 0.08 0.18 -0.04 3.06 3.28 2z8yP1 TYR 572 HB3 -0.01 0.05 0.19 -0.04 2.98 3.17 2z8yP1 TYR 572 HD2 0.00 0.02 -0.13 -0.04 7.15 7.00 2z8yP1 TYR 572 HE2 0.01 -0.01 -0.07 -0.04 6.85 6.74 2z8yP1 THR 573 H -0.00 0.30 0.01 -0.55 8.28 8.03 2z8yP1 THR 573 HA -0.16 0.08 0.50 -0.75 4.39 4.05 2z8yP1 THR 573 HB -0.08 0.02 -0.01 -0.04 4.32 4.20 2z8yP1 THR 573 HG23 0.04 -0.02 -0.01 -0.04 1.22 1.19 2z8yP1 ALA 574 H -0.34 0.58 0.07 -0.55 8.40 8.15 2z8yP1 ALA 574 HA -0.19 0.07 0.57 -0.75 4.34 4.03 2z8yP1 ALA 574 HB3 -0.45 -0.01 0.04 -0.04 1.41 0.95 2z8yP1 SER 575 H -0.13 0.52 -0.21 -0.55 8.46 8.10 2z8yP1 SER 575 HA -0.05 0.35 0.71 -0.75 4.49 4.74 2z8yP1 SER 575 HB2 -0.02 0.11 0.17 -0.04 3.95 4.17 2z8yP1 SER 575 HB3 -0.04 -0.02 0.13 -0.04 3.93 3.96 2z8yP1 ASN 576 H -0.12 0.32 -0.85 -0.55 8.53 7.33 2z8yP1 ASN 576 HA -0.13 0.10 0.33 -0.75 4.76 4.32 2z8yP1 ASN 576 HB2 -0.05 0.08 -0.12 -0.04 2.88 2.75 2z8yP1 ASN 576 HB3 -0.06 -0.10 0.20 -0.04 2.79 2.79 2z8yP1 ASN 576 HD21 -0.03 -0.00 0.04 -0.04 7.03 7.00 2z8yP1 ASN 576 HD22 -0.05 -0.10 0.07 -0.04 7.74 7.62 2z8yP1 ARG 577 H -0.33 0.59 -0.16 -0.55 8.46 8.00 2z8yP1 ARG 577 HA -1.23 -0.00 0.26 -0.75 4.34 2.61 2z8yP1 ARG 577 HB2 -0.22 0.35 0.29 -0.04 1.90 2.28 2z8yP1 ARG 577 HB3 -0.28 -0.10 0.20 -0.04 1.80 1.58 2z8yP1 ARG 577 HG2 -1.11 -0.06 -0.05 -0.04 1.67 0.41 2z8yP1 ARG 577 HG3 -0.34 0.00 -0.23 -0.04 1.67 1.05 2z8yP1 ARG 577 HD2 -0.02 -0.01 0.00 -0.04 3.22 3.16 2z8yP1 ARG 577 HD3 0.14 -0.08 -0.03 -0.04 3.22 3.21 2z8yP1 ASN 578 H -0.15 0.43 -0.15 -0.55 8.53 8.12 2z8yP1 ASN 578 HA -0.03 0.09 0.57 -0.75 4.76 4.64 2z8yP1 ASN 578 HB2 -0.02 0.31 0.13 -0.04 2.88 3.26 2z8yP1 ASN 578 HB3 0.01 -0.07 0.02 -0.04 2.79 2.71 2z8yP1 ASN 578 HD21 -0.00 -0.05 -0.04 -0.04 7.03 6.90 2z8yP1 ASN 578 HD22 0.00 -0.05 0.03 -0.04 7.74 7.68 2z8yP1 LEU 579 H -0.04 0.19 -0.06 -0.55 8.37 7.92 2z8yP1 LEU 579 HA 0.07 0.10 0.72 -0.75 4.35 4.48 2z8yP1 LEU 579 HB2 0.04 0.08 -0.09 -0.04 1.64 1.62 2z8yP1 LEU 579 HB3 0.06 -0.06 -0.12 -0.04 1.64 1.48 2z8yP1 LEU 579 HG 0.06 -0.16 0.18 -0.04 1.64 1.68 2z8yP1 LEU 579 HD13 0.05 0.10 0.04 -0.04 0.93 1.09 2z8yP1 LEU 579 HD23 0.06 -0.00 -0.02 -0.04 0.89 0.89 2z8yP1 GLU 580 H 0.10 0.11 0.11 -0.55 8.60 8.37 2z8yP1 GLU 580 HA 0.24 0.21 0.58 -0.75 4.29 4.57 2z8yP1 GLU 580 HB2 0.09 -0.01 0.04 -0.04 2.09 2.16 2z8yP1 GLU 580 HB3 0.06 -0.05 -0.03 -0.04 1.99 1.93 2z8yP1 GLU 580 HG2 0.15 -0.00 -0.08 -0.04 2.34 2.37 2z8yP1 GLU 580 HG3 0.28 0.04 -0.27 -0.04 2.34 2.35 2z8yP1 GLN 581 H 0.08 0.14 0.07 -0.55 8.47 8.21 2z8yP1 GLN 581 HA 0.07 0.13 1.00 -0.75 4.36 4.81 2z8yP1 GLN 581 HB2 0.05 0.02 -0.31 -0.04 2.15 1.86 2z8yP1 GLN 581 HB3 0.05 -0.02 -0.01 -0.04 2.02 1.99 2z8yP1 GLN 581 HG2 0.04 0.04 -0.25 -0.04 2.40 2.18 2z8yP1 GLN 581 HG3 0.05 -0.01 0.03 -0.04 2.39 2.41 2z8yP1 GLN 581 HE21 0.01 -0.03 -0.06 -0.04 6.97 6.84 2z8yP1 GLN 581 HE22 0.02 0.06 -0.06 -0.04 7.69 7.68 2z8yP1 VAL 582 H 0.08 0.12 0.15 -0.55 8.24 8.04 2z8yP1 VAL 582 HA 0.05 0.62 0.75 -0.75 4.13 4.80 2z8yP1 VAL 582 HB 0.06 0.01 -0.18 -0.04 2.12 1.96 2z8yP1 VAL 582 HG13 0.07 -0.04 -0.14 -0.04 0.97 0.81 2z8yP1 VAL 582 HG23 0.04 0.04 -0.06 -0.04 0.95 0.92 2z8yP1 CYS 583 H 0.04 0.47 0.10 -0.55 8.50 8.55 2z8yP1 CYS 583 HA 0.04 0.29 1.00 -0.75 4.58 5.15 2z8yP1 CYS 583 HB2 0.03 0.09 0.13 -0.04 2.97 3.18 2z8yP1 CYS 583 HB3 0.02 0.03 -0.00 -0.04 2.97 2.97 2z8yP1 LEU 584 H -0.07 0.46 0.31 -0.55 8.37 8.52 2z8yP1 LEU 584 HA -0.06 0.08 0.19 -0.75 4.35 3.81 2z8yP1 LEU 584 HB2 -0.71 -0.05 0.03 -0.04 1.64 0.87 2z8yP1 LEU 584 HB3 -0.22 -0.01 0.09 -0.04 1.64 1.47 2z8yP1 LEU 584 HG 0.03 0.21 0.14 -0.04 1.64 1.98 2z8yP1 LEU 584 HD13 -0.28 -0.03 -0.07 -0.04 0.93 0.50 2z8yP1 LEU 584 HD23 -0.06 -0.00 -0.11 -0.04 0.89 0.68 2z8yP1 TYR 585 H -0.01 0.41 -0.29 -0.55 8.29 7.85 2z8yP1 TYR 585 HA 0.12 0.32 0.87 -0.75 4.56 5.12 2z8yP1 TYR 585 HB2 0.07 0.09 -0.13 -0.04 3.06 3.04 2z8yP1 TYR 585 HB3 0.06 -0.24 0.13 -0.04 2.98 2.89 2z8yP1 TYR 585 HD2 0.13 0.12 -0.47 -0.04 7.15 6.89 2z8yP1 TYR 585 HE2 0.21 0.00 -0.14 -0.04 6.85 6.89 2z8yP1 THR 586 H 0.09 0.46 -0.12 -0.55 8.28 8.16 2z8yP1 THR 586 HA 0.03 0.10 0.88 -0.75 4.39 4.65 2z8yP1 THR 586 HB 0.05 0.05 -0.17 -0.04 4.32 4.21 2z8yP1 THR 586 HG23 0.04 0.05 -0.03 -0.04 1.22 1.24 2z8yP1 LEU 587 H -0.01 0.17 0.11 -0.55 8.37 8.09 2z8yP1 LEU 587 HA 0.02 0.24 0.60 -0.75 4.35 4.46 2z8yP1 LEU 587 HB2 -0.02 0.01 -0.06 -0.04 1.64 1.53 2z8yP1 LEU 587 HB3 -0.04 0.01 -0.00 -0.04 1.64 1.57 2z8yP1 LEU 587 HG -0.09 -0.09 -0.19 -0.04 1.64 1.22 2z8yP1 LEU 587 HD13 -0.00 0.04 -0.28 -0.04 0.93 0.64 2z8yP1 LEU 587 HD23 -0.08 0.03 -0.28 -0.04 0.89 0.52 2z8yP1 MET 588 H 0.00 -0.02 -0.14 -0.55 8.47 7.76 2z8yP1 MET 588 HA -0.02 0.09 0.48 -0.75 4.52 4.32 2z8yP1 MET 588 HB2 -0.00 -0.03 -0.03 -0.04 2.15 2.05 2z8yP1 MET 588 HB3 -0.01 0.11 -0.03 -0.04 2.03 2.06 2z8yP1 MET 588 HG2 -0.03 -0.15 -0.07 -0.04 2.63 2.34 2z8yP1 MET 588 HG3 -0.02 0.09 -0.13 -0.04 2.56 2.46 2z8yP1 MET 588 HE3 -0.07 -0.01 -0.10 -0.04 2.10 1.88 2z8yP1 GLU 589 H 0.02 0.11 -0.18 -0.55 8.60 8.00 2z8yP1 GLU 589 HA 0.02 0.27 1.19 -0.75 4.29 5.02 2z8yP1 GLU 589 HB2 0.01 0.06 -0.20 -0.04 2.09 1.92 2z8yP1 GLU 589 HB3 0.02 -0.08 -0.05 -0.04 1.99 1.84 2z8yP1 GLU 589 HG2 0.02 0.01 -0.40 -0.04 2.34 1.93 2z8yP1 GLU 589 HG3 0.02 0.00 -0.06 -0.04 2.34 2.26 2z8yP1 ASN 590 H 0.03 0.14 0.07 -0.55 8.53 8.22 2z8yP1 ASN 590 HA 0.04 0.08 0.27 -0.75 4.76 4.39 2z8yP1 ASN 590 HB2 0.03 -0.08 -0.28 -0.04 2.88 2.52 2z8yP1 ASN 590 HB3 0.04 0.34 0.01 -0.04 2.79 3.14 2z8yP1 ASN 590 HD21 0.02 0.01 -0.05 -0.04 7.03 6.97 2z8yP1 ASN 590 HD22 0.02 -0.05 -0.19 -0.04 7.74 7.49 2z8yP1 PRO 591 HA 0.04 0.12 0.22 -0.51 4.44 4.31 2z8yP1 PRO 591 HB2 0.05 0.12 0.02 -0.04 2.28 2.43 2z8yP1 PRO 591 HB3 0.04 -0.05 -0.05 -0.04 2.02 1.92 2z8yP1 PRO 591 HG2 0.06 0.14 -0.23 -0.04 2.03 1.95 2z8yP1 PRO 591 HG3 0.04 0.05 -0.18 -0.04 2.03 1.90 2z8yP1 PRO 591 HD2 0.05 0.06 -0.14 -0.04 3.68 3.60 2z8yP1 PRO 591 HD3 0.04 -0.05 -0.41 -0.04 3.65 3.19 2z8yP1 MET 592 H 0.04 0.08 0.18 -0.55 8.47 8.23 2z8yP1 MET 592 HA 0.06 0.02 0.61 -0.75 4.52 4.45 2z8yP1 MET 592 HB2 0.02 -0.06 0.18 -0.04 2.15 2.25 2z8yP1 MET 592 HB3 0.05 0.01 0.12 -0.04 2.03 2.17 2z8yP1 MET 592 HG2 0.11 0.28 0.12 -0.04 2.63 3.09 2z8yP1 MET 592 HG3 0.04 -0.02 0.14 -0.04 2.56 2.68 2z8yP1 MET 592 HE3 -0.05 0.05 0.07 -0.04 2.10 2.13 2z8yP1 THR 593 H 0.11 0.06 0.18 -0.55 8.28 8.09 2z8yP1 THR 593 HA 0.09 0.20 0.58 -0.75 4.39 4.51 2z8yP1 THR 593 HB 0.14 0.07 -0.06 -0.04 4.32 4.42 2z8yP1 THR 593 HG23 0.09 0.02 -0.04 -0.04 1.22 1.25 2z8yP1 SER 594 H 0.08 0.38 0.10 -0.55 8.46 8.47 2z8yP1 SER 594 HA -0.01 0.13 0.91 -0.75 4.49 4.76 2z8yP1 SER 594 HB2 0.14 0.24 -0.10 -0.04 3.95 4.19 2z8yP1 SER 594 HB3 0.43 -0.31 -0.00 -0.04 3.93 4.01 2z8yP1 CYS 595 H -0.17 -0.08 0.05 -0.55 8.50 7.75 2z8yP1 CYS 595 HA -0.14 0.37 0.86 -0.75 4.58 4.92 2z8yP1 CYS 595 HB2 -0.07 0.14 0.06 -0.04 2.97 3.06 2z8yP1 CYS 595 HB3 -0.42 0.07 -0.02 -0.04 2.97 2.56 2z8yP1 GLY 596 H -0.12 -0.32 0.20 -0.55 8.43 7.64 2z8yP1 GLY 596 HA2 -0.13 0.19 0.40 -0.51 4.01 3.96 2z8yP1 GLY 596 HA3 0.24 0.16 0.27 -0.51 4.01 4.17 2z8yP1 CYS 597 H -0.34 -0.20 0.14 -0.55 8.50 7.56 2z8yP1 CYS 597 HA -0.23 0.31 0.24 -0.75 4.58 4.15 2z8yP1 CYS 597 HB2 -0.14 0.04 0.10 -0.04 2.97 2.93 2z8yP1 CYS 597 HB3 -0.20 0.03 0.00 -0.04 2.97 2.76 2z8yP1 PHE 598 H -1.20 0.00 -0.29 -0.55 8.34 6.30 2z8yP1 PHE 598 HA 0.07 0.06 0.10 -0.75 4.62 4.09 2z8yP1 PHE 598 HB2 0.13 0.15 0.01 -0.04 3.15 3.39 2z8yP1 PHE 598 HB3 0.07 -0.07 -0.06 -0.04 3.06 2.95 2z8yP1 PHE 598 HD2 0.14 -0.07 -0.18 -0.04 7.28 7.13 2z8yP1 PHE 598 HE2 -0.17 0.04 -0.28 -0.04 7.38 6.93 2z8yP1 PHE 598 HZ -0.09 0.19 -0.10 -0.04 7.32 7.28 2z8yP1 GLU 599 H 0.13 0.41 0.28 -0.55 8.60 8.87 2z8yP1 GLU 599 HA 0.00 0.06 0.57 -0.75 4.29 4.17 2z8yP1 GLU 599 HB2 0.04 -0.07 0.21 -0.04 2.09 2.23 2z8yP1 GLU 599 HB3 -0.06 -0.07 0.17 -0.04 1.99 1.99 2z8yP1 GLU 599 HG2 -0.00 0.19 0.07 -0.04 2.34 2.55 2z8yP1 GLU 599 HG3 0.05 0.06 -0.01 -0.04 2.34 2.41 2z8yP1 ALA 600 H 0.29 0.28 -0.11 -0.55 8.40 8.30 2z8yP1 ALA 600 HA 0.27 0.17 1.10 -0.75 4.34 5.12 2z8yP1 ALA 600 HB3 0.11 -0.02 -0.16 -0.04 1.41 1.30 2z8yP1 ILE 601 H 0.25 0.74 0.32 -0.55 8.25 9.01 2z8yP1 ILE 601 HA 0.06 0.35 1.17 -0.75 4.18 5.00 2z8yP1 ILE 601 HB 0.10 -0.12 -0.04 -0.04 1.89 1.78 2z8yP1 ILE 601 HG12 -0.48 0.06 -0.23 -0.04 1.49 0.80 2z8yP1 ILE 601 HG13 0.18 -0.11 -0.57 -0.04 1.21 0.67 2z8yP1 ILE 601 HG23 -0.03 0.01 -0.31 -0.04 0.93 0.55 2z8yP1 ILE 601 HD13 -0.55 0.01 -0.27 -0.04 0.88 0.03 2z8yP1 MET 602 H 0.10 0.71 0.32 -0.55 8.47 9.05 2z8yP1 MET 602 HA 0.14 0.31 0.95 -0.75 4.52 5.17 2z8yP1 MET 602 HB2 0.11 -0.02 0.12 -0.04 2.15 2.33 2z8yP1 MET 602 HB3 0.09 0.01 -0.13 -0.04 2.03 1.96 2z8yP1 MET 602 HG2 0.27 0.03 -0.12 -0.04 2.63 2.77 2z8yP1 MET 602 HG3 0.24 -0.04 -0.16 -0.04 2.56 2.57 2z8yP1 MET 602 HE3 0.19 0.02 -0.17 -0.04 2.10 2.11 2z8yP1 ALA 603 H 0.06 0.58 0.28 -0.55 8.40 8.77 2z8yP1 ALA 603 HA -0.24 0.32 1.03 -0.75 4.34 4.70 2z8yP1 ALA 603 HB3 0.20 -0.02 -0.04 -0.04 1.41 1.51 2z8yP1 ILE 604 H -0.72 0.89 0.36 -0.55 8.25 8.23 2z8yP1 ILE 604 HA -0.14 0.08 0.68 -0.75 4.18 4.05 2z8yP1 ILE 604 HB -0.29 -0.04 0.21 -0.04 1.89 1.73 2z8yP1 ILE 604 HG12 -0.11 -0.04 0.02 -0.04 1.49 1.32 2z8yP1 ILE 604 HG13 -0.09 -0.04 -0.07 -0.04 1.21 0.97 2z8yP1 ILE 604 HG23 -0.64 0.07 0.17 -0.04 0.93 0.49 2z8yP1 ILE 604 HD13 -0.07 0.02 0.03 -0.04 0.88 0.82 2z8yP1 LEU 605 H -0.05 1.18 0.34 -0.55 8.37 9.30 2z8yP1 LEU 605 HA -0.03 0.25 0.83 -0.75 4.35 4.65 2z8yP1 LEU 605 HB2 -0.01 0.03 -0.21 -0.04 1.64 1.41 2z8yP1 LEU 605 HB3 -0.02 -0.15 0.04 -0.04 1.64 1.47 2z8yP1 LEU 605 HG -0.04 -0.07 -0.15 -0.04 1.64 1.33 2z8yP1 LEU 605 HD13 -0.02 0.04 -0.17 -0.04 0.93 0.74 2z8yP1 LEU 605 HD23 -0.04 -0.04 -0.27 -0.04 0.89 0.50 2z8yP1 PRO 606 HA -0.01 0.08 0.30 -0.51 4.44 4.29 2z8yP1 PRO 606 HB2 -0.00 -0.01 0.08 -0.04 2.28 2.31 2z8yP1 PRO 606 HB3 -0.01 0.05 0.08 -0.04 2.02 2.10 2z8yP1 PRO 606 HG2 -0.00 0.07 0.05 -0.04 2.03 2.10 2z8yP1 PRO 606 HG3 -0.03 0.08 0.07 -0.04 2.03 2.11 2z8yP1 PRO 606 HD2 -0.01 0.11 0.07 -0.04 3.68 3.81 2z8yP1 PRO 606 HD3 -0.06 0.21 -0.31 -0.04 3.65 3.45 2z8yP1 GLU 607 H -0.01 0.08 -0.33 -0.55 8.60 7.80 2z8yP1 GLU 607 HA 0.00 0.10 0.32 -0.75 4.29 3.96 2z8yP1 GLU 607 HB2 -0.00 -0.03 0.06 -0.04 2.09 2.08 2z8yP1 GLU 607 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.89 2z8yP1 GLU 607 HG2 0.00 0.03 0.06 -0.04 2.34 2.40 2z8yP1 GLU 607 HG3 0.00 0.03 0.07 -0.04 2.34 2.39 2z8yP1 CYS 608 H -0.00 1.11 -0.21 -0.55 8.50 8.85 2z8yP1 CYS 608 HA 0.01 0.18 0.86 -0.75 4.58 4.88 2z8yP1 CYS 608 HB2 -0.01 0.02 -0.05 -0.04 2.97 2.89 2z8yP1 CYS 608 HB3 -0.02 0.03 -0.03 -0.04 2.97 2.91 2z8yP1 ASN 609 H 0.01 0.21 -0.11 -0.55 8.53 8.09 2z8yP1 ASN 609 HA 0.01 -0.08 0.27 -0.75 4.76 4.21 2z8yP1 ASN 609 HB2 0.03 -0.04 -0.27 -0.04 2.88 2.55 2z8yP1 ASN 609 HB3 0.05 0.19 -0.11 -0.04 2.79 2.89 2z8yP1 ASN 609 HD21 0.03 -0.03 -0.69 -0.04 7.03 6.29 2z8yP1 ASN 609 HD22 0.04 0.28 -0.08 -0.04 7.74 7.94 2z8yP1 GLY 610 H 0.01 0.02 -0.10 -0.55 8.43 7.81 2z8yP1 GLY 610 HA2 0.04 0.09 0.50 -0.51 4.01 4.14 2z8yP1 GLY 610 HA3 0.05 0.28 0.17 -0.51 4.01 4.01 2z8yP1 ILE 611 H 0.07 0.70 0.22 -0.55 8.25 8.69 2z8yP1 ILE 611 HA -0.00 0.19 1.01 -0.75 4.18 4.62 2z8yP1 ILE 611 HB 0.05 0.03 -0.18 -0.04 1.89 1.75 2z8yP1 ILE 611 HG12 0.12 0.01 -0.32 -0.04 1.49 1.26 2z8yP1 ILE 611 HG13 0.16 -0.06 -0.29 -0.04 1.21 0.97 2z8yP1 ILE 611 HG23 -0.02 -0.02 -0.35 -0.04 0.93 0.50 2z8yP1 ILE 611 HD13 0.25 0.00 -0.28 -0.04 0.88 0.81 2z8yP1 MET 612 H 0.06 0.64 0.31 -0.55 8.47 8.94 2z8yP1 MET 612 HA 0.23 0.16 0.95 -0.75 4.52 5.11 2z8yP1 MET 612 HB2 0.36 0.05 -0.04 -0.04 2.15 2.47 2z8yP1 MET 612 HB3 0.16 -0.06 -0.00 -0.04 2.03 2.08 2z8yP1 MET 612 HG2 0.02 0.06 -0.05 -0.04 2.63 2.62 2z8yP1 MET 612 HG3 0.09 -0.02 0.09 -0.04 2.56 2.68 2z8yP1 MET 612 HE3 0.16 0.04 -0.32 -0.04 2.10 1.93 2z8yP1 ILE 613 H 0.27 0.62 0.36 -0.55 8.25 8.95 2z8yP1 ILE 613 HA 0.18 0.36 0.97 -0.75 4.18 4.94 2z8yP1 ILE 613 HB 0.06 -0.04 0.13 -0.04 1.89 1.99 2z8yP1 ILE 613 HG12 0.20 0.03 -0.15 -0.04 1.49 1.53 2z8yP1 ILE 613 HG13 0.18 -0.05 -0.44 -0.04 1.21 0.86 2z8yP1 ILE 613 HG23 0.09 -0.02 -0.15 -0.04 0.93 0.80 2z8yP1 ILE 613 HD13 0.08 -0.00 -0.12 -0.04 0.88 0.80 2z8yP1 THR 614 H 0.22 0.77 0.32 -0.55 8.28 9.04 2z8yP1 THR 614 HA 0.25 0.10 0.51 -0.75 4.39 4.49 2z8yP1 THR 614 HB 0.36 0.03 -0.05 -0.04 4.32 4.62 2z8yP1 THR 614 HG23 0.38 0.03 -0.15 -0.04 1.22 1.44 2z8yP1 THR 615 H 0.19 0.24 0.27 -0.55 8.28 8.43 2z8yP1 THR 615 HA 0.03 0.41 1.23 -0.75 4.39 5.31 2z8yP1 THR 615 HB -0.14 0.04 0.10 -0.04 4.32 4.27 2z8yP1 THR 615 HG23 -0.05 0.01 -0.22 -0.04 1.22 0.91 2z8yP1 ARG 616 H -0.40 0.68 0.32 -0.55 8.46 8.50 2z8yP1 ARG 616 HA -2.12 0.05 0.28 -0.75 4.34 1.81 2z8yP1 ARG 616 HB2 -0.44 0.21 0.17 -0.04 1.90 1.79 2z8yP1 ARG 616 HB3 -0.34 -0.04 0.12 -0.04 1.80 1.50 2z8yP1 ARG 616 HG2 -0.29 -0.04 -0.04 -0.04 1.67 1.26 2z8yP1 ARG 616 HG3 -0.46 -0.07 0.04 -0.04 1.67 1.14 2z8yP1 ARG 616 HD2 -0.12 0.10 -0.07 -0.04 3.22 3.09 2z8yP1 ARG 616 HD3 -0.01 0.10 -0.12 -0.04 3.22 3.15 2z8yP1 ASP 617 H -0.23 0.05 -0.23 -0.55 8.40 7.44 2z8yP1 ASP 617 HA -0.13 0.11 0.25 -0.75 4.63 4.11 2z8yP1 ASP 617 HB2 -0.09 -0.08 -0.02 -0.04 2.71 2.48 2z8yP1 ASP 617 HB3 -0.04 -0.03 -0.06 -0.04 2.70 2.53 2z8yP1 HIS 618 H -0.07 0.51 -0.46 -0.55 8.41 7.84 2z8yP1 HIS 618 HA -0.01 0.05 0.56 -0.75 4.63 4.48 2z8yP1 HIS 618 HB2 -0.01 -0.09 0.10 -0.04 3.26 3.21 2z8yP1 HIS 618 HB3 0.06 0.04 0.27 -0.04 3.20 3.53 2z8yP1 HIS 618 HD2 0.36 0.12 -0.01 -0.04 6.97 7.40 2z8yP1 HIS 618 HE1 0.09 0.02 0.08 -0.04 7.75 7.90 2z8yP1 ALA 619 H -0.25 0.14 0.27 -0.55 8.40 8.01 2z8yP1 ALA 619 HA -0.05 0.13 0.44 -0.75 4.34 4.11 2z8yP1 ALA 619 HB3 -0.05 0.02 0.11 -0.04 1.41 1.45 2z8yP1 GLY 620 H -0.90 -0.03 -0.18 -0.55 8.43 6.77 2z8yP1 GLY 620 HA2 -0.09 0.07 0.15 -0.51 4.01 3.62 2z8yP1 GLY 620 HA3 -0.16 0.02 0.28 -0.51 4.01 3.64 2z8yP1 MET 621 H -0.02 0.07 0.12 -0.55 8.47 8.09 2z8yP1 MET 621 HA -0.05 -0.01 0.31 -0.75 4.52 4.02 2z8yP1 MET 621 HB2 -0.04 -0.00 0.10 -0.04 2.15 2.16 2z8yP1 MET 621 HB3 -0.05 -0.04 -0.00 -0.04 2.03 1.90 2z8yP1 MET 621 HG2 -0.06 -0.00 -0.05 -0.04 2.63 2.47 2z8yP1 MET 621 HG3 -0.11 0.18 -0.15 -0.04 2.56 2.44 2z8yP1 MET 621 HE3 -0.06 0.01 -0.07 -0.04 2.10 1.95 2z8yP1 THR 622 H -0.14 0.13 -0.03 -0.55 8.28 7.70 2z8yP1 THR 622 HA -0.68 0.27 0.97 -0.75 4.39 4.19 2z8yP1 THR 622 HB -0.58 -0.01 0.05 -0.04 4.32 3.74 2z8yP1 THR 622 HG23 0.08 -0.00 -0.14 -0.04 1.22 1.12 2z8yP1 PRO 623 HA -0.27 -0.03 0.31 -0.51 4.44 3.94 2z8yP1 PRO 623 HB2 -0.21 0.08 -0.21 -0.04 2.28 1.89 2z8yP1 PRO 623 HB3 -0.33 -0.03 -0.30 -0.04 2.02 1.32 2z8yP1 PRO 623 HG2 -0.47 0.03 -0.07 -0.04 2.03 1.48 2z8yP1 PRO 623 HG3 -0.92 0.07 -0.14 -0.04 2.03 1.00 2z8yP1 PRO 623 HD2 -1.98 0.11 0.13 -0.04 3.68 1.89 2z8yP1 PRO 623 HD3 -1.54 0.16 -0.08 -0.04 3.65 2.15 2z8yP1 SER 624 H -0.19 0.07 -0.49 -0.55 8.46 7.30 2z8yP1 SER 624 HA -0.02 0.12 0.47 -0.75 4.49 4.30 2z8yP1 SER 624 HB2 0.13 0.09 0.06 -0.04 3.95 4.18 2z8yP1 SER 624 HB3 0.04 0.01 -0.02 -0.04 3.93 3.91 2z8yP1 GLY 625 H -0.13 0.78 -0.35 -0.55 8.43 8.19 2z8yP1 GLY 625 HA2 -0.08 -0.02 0.30 -0.51 4.01 3.70 2z8yP1 GLY 625 HA3 -0.06 0.11 0.58 -0.51 4.01 4.13 2z8yP1 MET 626 H -0.08 0.18 -0.16 -0.55 8.47 7.87 2z8yP1 MET 626 HA -0.08 0.14 0.80 -0.75 4.52 4.63 2z8yP1 MET 626 HB2 -0.08 0.01 -0.14 -0.04 2.15 1.90 2z8yP1 MET 626 HB3 -0.10 -0.10 -0.08 -0.04 2.03 1.70 2z8yP1 MET 626 HG2 -0.11 0.01 -0.08 -0.04 2.63 2.41 2z8yP1 MET 626 HG3 -0.09 0.04 -0.59 -0.04 2.56 1.88 2z8yP1 MET 626 HE3 -0.17 -0.00 -0.13 -0.04 2.10 1.76 2z8yP1 THR 627 H -0.06 0.11 0.07 -0.55 8.28 7.86 2z8yP1 THR 627 HA 0.02 0.32 0.40 -0.75 4.39 4.38 2z8yP1 THR 627 HB 0.04 0.12 0.04 -0.04 4.32 4.48 2z8yP1 THR 627 HG23 -0.03 0.01 -0.07 -0.04 1.22 1.09 2z8yP1 PHE 628 H 0.23 0.34 0.04 -0.55 8.34 8.40 2z8yP1 PHE 628 HA 0.05 0.08 0.36 -0.75 4.62 4.36 2z8yP1 PHE 628 HB2 0.10 0.05 0.03 -0.04 3.15 3.29 2z8yP1 PHE 628 HB3 0.04 0.04 0.07 -0.04 3.06 3.17 2z8yP1 PHE 628 HD2 0.07 -0.07 -0.35 -0.04 7.28 6.89 2z8yP1 PHE 628 HE2 0.15 0.03 -0.26 -0.04 7.38 7.25 2z8yP1 PHE 628 HZ 0.20 0.21 -0.17 -0.04 7.32 7.53 2z8yP1 SER 629 H 0.14 0.09 -0.29 -0.55 8.46 7.86 2z8yP1 SER 629 HA -0.07 0.15 0.05 -0.75 4.49 3.87 2z8yP1 SER 629 HB2 0.01 -0.05 -0.10 -0.04 3.95 3.77 2z8yP1 SER 629 HB3 -0.03 -0.02 -0.30 -0.04 3.93 3.54 2z8yP1 THR 630 H -0.10 0.02 -0.26 -0.55 8.28 7.39 2z8yP1 THR 630 HA -0.23 0.08 0.30 -0.75 4.39 3.79 2z8yP1 THR 630 HB -0.13 -0.01 0.02 -0.04 4.32 4.16 2z8yP1 THR 630 HG23 -0.17 0.04 -0.02 -0.04 1.22 1.03 2z8yP1 LEU 631 H -0.16 0.38 -0.50 -0.55 8.37 7.55 2z8yP1 LEU 631 HA -0.20 0.05 0.18 -0.75 4.35 3.63 2z8yP1 LEU 631 HB2 -0.12 0.28 -0.00 -0.04 1.64 1.76 2z8yP1 LEU 631 HB3 -0.22 0.02 -0.09 -0.04 1.64 1.30 2z8yP1 LEU 631 HG -0.01 -0.01 -0.19 -0.04 1.64 1.39 2z8yP1 LEU 631 HD13 -0.09 -0.01 -0.12 -0.04 0.93 0.68 2z8yP1 LEU 631 HD23 0.03 -0.02 -0.23 -0.04 0.89 0.62 2z8yP1 ALA 632 H -0.41 0.79 -0.14 -0.55 8.40 8.09 2z8yP1 ALA 632 HA -0.26 -0.04 0.24 -0.75 4.34 3.53 2z8yP1 ALA 632 HB3 -0.27 0.00 -0.04 -0.04 1.41 1.06 2z8yP1 GLY 633 H -0.18 0.47 -0.20 -0.55 8.43 7.97 2z8yP1 GLY 633 HA2 0.03 0.06 0.38 -0.51 4.01 3.97 2z8yP1 GLY 633 HA3 -0.23 -0.04 0.26 -0.51 4.01 3.49 2z8yP1 MET 634 H -0.18 0.41 -0.31 -0.55 8.47 7.85 2z8yP1 MET 634 HA -0.12 0.01 0.35 -0.75 4.52 4.00 2z8yP1 MET 634 HB2 -0.20 -0.06 0.07 -0.04 2.15 1.92 2z8yP1 MET 634 HB3 -0.25 0.10 0.11 -0.04 2.03 1.94 2z8yP1 MET 634 HG2 -0.22 0.06 0.02 -0.04 2.63 2.45 2z8yP1 MET 634 HG3 -0.21 -0.08 0.02 -0.04 2.56 2.26 2z8yP1 MET 634 HE3 -0.31 -0.02 -0.05 -0.04 2.10 1.67 2z8yP1 ILE 635 H -0.14 0.23 -0.33 -0.55 8.25 7.47 2z8yP1 ILE 635 HA -0.08 0.27 0.89 -0.75 4.18 4.51 2z8yP1 ILE 635 HB -0.11 -0.04 -0.05 -0.04 1.89 1.65 2z8yP1 ILE 635 HG12 -0.38 -0.11 -0.32 -0.04 1.49 0.64 2z8yP1 ILE 635 HG13 -0.35 0.17 -0.15 -0.04 1.21 0.84 2z8yP1 ILE 635 HG23 -0.13 0.00 -0.22 -0.04 0.93 0.53 2z8yP1 ILE 635 HD13 -0.85 -0.07 -0.34 -0.04 0.88 -0.42 2z8yP1 GLY 636 H 0.02 0.39 -0.01 -0.55 8.43 8.29 2z8yP1 GLY 636 HA2 0.17 -0.11 0.55 -0.51 4.01 4.11 2z8yP1 GLY 636 HA3 0.21 0.10 0.33 -0.51 4.01 4.14 2z8yP1 GLY 637 H 0.10 0.41 0.17 -0.55 8.43 8.57 2z8yP1 GLY 637 HA2 0.08 0.09 0.25 -0.51 4.01 3.93 2z8yP1 GLY 637 HA3 0.06 0.11 0.50 -0.51 4.01 4.17 2z8yP1 GLY 638 H 0.06 0.03 -0.03 -0.55 8.43 7.95 2z8yP1 GLY 638 HA2 0.12 -0.01 0.11 -0.51 4.01 3.72 2z8yP1 GLY 638 HA3 0.08 0.08 0.54 -0.51 4.01 4.20 2z8yP1 THR 639 H 0.05 0.04 0.10 -0.55 8.28 7.92 2z8yP1 THR 639 HA 0.04 0.01 0.19 -0.75 4.39 3.87 2z8yP1 THR 639 HB 0.02 0.08 -0.06 -0.04 4.32 4.32 2z8yP1 THR 639 HG23 0.02 -0.02 0.03 -0.04 1.22 1.22 2z8yP1 GLN 640 H 0.04 0.07 0.21 -0.55 8.47 8.25 2z8yP1 GLN 640 HA 0.05 0.12 0.66 -0.75 4.36 4.44 2z8yP1 GLN 640 HB2 0.05 0.03 0.19 -0.04 2.15 2.38 2z8yP1 GLN 640 HB3 0.04 -0.07 0.14 -0.04 2.02 2.10 2z8yP1 GLN 640 HG2 0.05 -0.08 -0.10 -0.04 2.40 2.23 2z8yP1 GLN 640 HG3 0.06 0.22 -0.02 -0.04 2.39 2.60 2z8yP1 GLN 640 HE21 0.05 -0.04 0.13 -0.04 6.97 7.07 2z8yP1 GLN 640 HE22 0.05 0.25 -0.06 -0.04 7.69 7.90 2z8yP1 THR 641 H 0.06 0.20 0.05 -0.55 8.28 8.04 2z8yP1 THR 641 HA 0.06 0.14 0.84 -0.75 4.39 4.68 2z8yP1 THR 641 HB 0.08 -0.04 0.01 -0.04 4.32 4.32 2z8yP1 THR 641 HG23 -0.01 0.08 -0.20 -0.04 1.22 1.05 2z8yP1 PRO 642 HA 0.05 0.06 0.41 -0.51 4.44 4.45 2z8yP1 PRO 642 HB2 0.05 -0.03 0.06 -0.04 2.28 2.32 2z8yP1 PRO 642 HB3 0.03 0.21 0.11 -0.04 2.02 2.34 2z8yP1 PRO 642 HG2 0.04 0.00 0.09 -0.04 2.03 2.12 2z8yP1 PRO 642 HG3 0.04 -0.05 0.05 -0.04 2.03 2.03 2z8yP1 PRO 642 HD2 0.07 0.13 0.18 -0.04 3.68 4.02 2z8yP1 PRO 642 HD3 0.05 0.14 -0.21 -0.04 3.65 3.60 2z8yP1 GLY 643 H -0.02 0.71 0.37 -0.55 8.43 8.94 2z8yP1 GLY 643 HA2 -0.21 -0.11 0.27 -0.51 4.01 3.46 2z8yP1 GLY 643 HA3 -0.31 0.08 0.61 -0.51 4.01 3.88 2z8yP1 PHE 644 H 0.08 0.53 0.01 -0.55 8.34 8.40 2z8yP1 PHE 644 HA -0.01 0.25 0.88 -0.75 4.62 4.98 2z8yP1 PHE 644 HB2 -0.05 0.10 -0.01 -0.04 3.15 3.15 2z8yP1 PHE 644 HB3 -0.07 -0.05 0.01 -0.04 3.06 2.91 2z8yP1 PHE 644 HD2 -0.03 0.08 -0.15 -0.04 7.28 7.13 2z8yP1 PHE 644 HE2 -0.03 -0.03 -0.00 -0.04 7.38 7.27 2z8yP1 PHE 644 HZ -0.03 -0.04 0.02 -0.04 7.32 7.24 2z8yP1 MET 645 H 0.07 0.55 0.31 -0.55 8.47 8.85 2z8yP1 MET 645 HA 0.02 0.26 0.88 -0.75 4.52 4.92 2z8yP1 MET 645 HB2 0.06 0.08 -0.34 -0.04 2.15 1.90 2z8yP1 MET 645 HB3 0.09 -0.16 -0.09 -0.04 2.03 1.83 2z8yP1 MET 645 HG2 0.09 -0.04 -0.25 -0.04 2.63 2.39 2z8yP1 MET 645 HG3 0.05 0.21 0.09 -0.04 2.56 2.87 2z8yP1 MET 645 HE3 0.15 -0.04 -0.15 -0.04 2.10 2.03 2z8yP1 GLY 646 H -0.06 0.28 0.07 -0.55 8.43 8.17 2z8yP1 GLY 646 HA2 -0.14 0.21 0.83 -0.51 4.01 4.40 2z8yP1 GLY 646 HA3 -0.12 -0.06 0.29 -0.51 4.01 3.62 2z8yP1 ILE 647 H 0.18 0.79 0.32 -0.55 8.25 8.99 2z8yP1 ILE 647 HA 0.14 0.13 0.88 -0.75 4.18 4.58 2z8yP1 ILE 647 HB 0.33 0.01 -0.07 -0.04 1.89 2.11 2z8yP1 ILE 647 HG12 0.21 0.07 -0.25 -0.04 1.49 1.48 2z8yP1 ILE 647 HG13 0.22 -0.11 -0.47 -0.04 1.21 0.81 2z8yP1 ILE 647 HG23 0.22 0.01 -0.43 -0.04 0.93 0.68 2z8yP1 ILE 647 HD13 0.38 -0.00 -0.24 -0.04 0.88 0.98 2z8yP1 GLY 648 H 0.12 0.20 0.03 -0.55 8.43 8.23 2z8yP1 GLY 648 HA2 0.10 0.15 0.68 -0.51 4.01 4.43 2z8yP1 GLY 648 HA3 0.11 0.09 0.25 -0.51 4.01 3.95 2z8yP1 ARG 649 H 0.06 0.20 0.12 -0.55 8.46 8.29 2z8yP1 ARG 649 HA 0.07 0.12 0.31 -0.75 4.34 4.08 2z8yP1 ARG 649 HB2 0.00 -0.03 0.11 -0.04 1.90 1.95 2z8yP1 ARG 649 HB3 0.10 0.07 -0.12 -0.04 1.80 1.81 2z8yP1 ARG 649 HG2 -0.06 0.02 -0.04 -0.04 1.67 1.54 2z8yP1 ARG 649 HG3 -0.07 0.01 -0.02 -0.04 1.67 1.55 2z8yP1 ARG 649 HD2 -0.67 0.03 -0.05 -0.04 3.22 2.49 2z8yP1 ARG 649 HD3 -0.37 -0.03 -0.04 -0.04 3.22 2.74 2z8yP1 THR 650 H 0.14 0.10 -0.20 -0.55 8.28 7.76 2z8yP1 THR 650 HA 0.13 0.09 0.31 -0.75 4.39 4.16 2z8yP1 THR 650 HB 0.12 0.03 0.07 -0.04 4.32 4.50 2z8yP1 THR 650 HG23 0.12 -0.01 -0.10 -0.04 1.22 1.19 2z8yP1 TYR 651 H 0.24 0.45 -0.68 -0.55 8.29 7.76 2z8yP1 TYR 651 HA 0.09 0.03 0.16 -0.75 4.56 4.08 2z8yP1 TYR 651 HB2 0.11 -0.14 0.03 -0.04 3.06 3.02 2z8yP1 TYR 651 HB3 0.13 0.30 0.05 -0.04 2.98 3.41 2z8yP1 TYR 651 HD2 0.21 0.05 0.02 -0.04 7.15 7.40 2z8yP1 TYR 651 HE2 0.21 0.02 -0.10 -0.04 6.85 6.94 2z8yP1 ILE 652 H -0.03 0.63 -0.25 -0.55 8.25 8.05 2z8yP1 ILE 652 HA -1.31 0.01 0.31 -0.75 4.18 2.44 2z8yP1 ILE 652 HB -0.12 0.15 0.06 -0.04 1.89 1.94 2z8yP1 ILE 652 HG12 -0.32 -0.01 -0.06 -0.04 1.49 1.06 2z8yP1 ILE 652 HG13 -0.23 -0.04 -0.07 -0.04 1.21 0.83 2z8yP1 ILE 652 HG23 -0.19 -0.01 -0.25 -0.04 0.93 0.44 2z8yP1 ILE 652 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.74 2z8yP1 VAL 653 H -0.08 0.28 -0.36 -0.55 8.24 7.53 2z8yP1 VAL 653 HA -0.09 0.17 0.70 -0.75 4.13 4.15 2z8yP1 VAL 653 HB -0.01 0.01 0.12 -0.04 2.12 2.20 2z8yP1 VAL 653 HG13 0.09 -0.03 -0.17 -0.04 0.97 0.83 2z8yP1 VAL 653 HG23 0.02 -0.01 -0.02 -0.04 0.95 0.90 2z8yP1 SER 654 H -0.13 0.46 -0.43 -0.55 8.46 7.82 2z8yP1 SER 654 HA 0.03 0.10 0.64 -0.75 4.49 4.50 2z8yP1 SER 654 HB2 0.13 0.04 0.19 -0.04 3.95 4.27 2z8yP1 SER 654 HB3 0.06 -0.20 0.05 -0.04 3.93 3.81 2z8yP1 LYS 655 H 0.02 0.13 0.22 -0.55 8.42 8.24 2z8yP1 LYS 655 HA -0.02 0.21 0.51 -0.75 4.32 4.26 2z8yP1 LYS 655 HB2 -0.01 -0.07 0.18 -0.04 1.87 1.93 2z8yP1 LYS 655 HB3 -0.04 -0.01 0.06 -0.04 1.79 1.76 2z8yP1 LYS 655 HG2 -0.03 0.07 0.10 -0.04 1.46 1.56 2z8yP1 LYS 655 HG3 -0.02 0.05 0.08 -0.04 1.46 1.53 2z8yP1 LYS 655 HD2 -0.02 0.04 0.06 -0.04 1.69 1.73 2z8yP1 LYS 655 HD3 -0.02 -0.09 0.06 -0.04 1.68 1.59 2z8yP1 LYS 655 HE2 -0.03 0.07 0.06 -0.04 2.99 3.05 2z8yP1 LYS 655 HE3 -0.03 -0.00 0.04 -0.04 2.99 2.96 2z8yP1 LYS 656 H 0.07 0.09 -0.23 -0.55 8.42 7.80 2z8yP1 LYS 656 HA -0.12 0.18 0.66 -0.75 4.32 4.28 2z8yP1 LYS 656 HB2 0.22 0.08 -0.07 -0.04 1.87 2.06 2z8yP1 LYS 656 HB3 -0.29 0.00 0.06 -0.04 1.79 1.53 2z8yP1 LYS 656 HG2 -0.08 -0.06 -0.22 -0.04 1.46 1.07 2z8yP1 LYS 656 HG3 0.03 -0.11 -0.06 -0.04 1.46 1.29 2z8yP1 LYS 656 HD2 -0.15 -0.12 -0.05 -0.04 1.69 1.33 2z8yP1 LYS 656 HD3 -1.24 0.03 -0.07 -0.04 1.68 0.36 2z8yP1 LYS 656 HE2 -0.58 0.03 -0.03 -0.04 2.99 2.38 2z8yP1 LYS 656 HE3 -0.22 0.09 -0.19 -0.04 2.99 2.63 2z8yP1 PHE 657 H 0.07 0.26 -0.51 -0.55 8.34 7.61 2z8yP1 PHE 657 HA -0.71 0.04 0.64 -0.75 4.62 3.84 2z8yP1 PHE 657 HB2 -0.51 0.22 0.19 -0.04 3.15 3.01 2z8yP1 PHE 657 HB3 -0.19 0.12 0.13 -0.04 3.06 3.08 2z8yP1 PHE 657 HD2 -0.56 -0.07 -0.10 -0.04 7.28 6.52 2z8yP1 PHE 657 HE2 0.07 -0.02 -0.26 -0.04 7.38 7.13 2z8yP1 PHE 657 HZ 0.07 -0.02 -0.19 -0.04 7.32 7.13 2z8yP1 ILE 658 H -0.13 0.20 0.10 -0.55 8.25 7.86 2z8yP1 ILE 658 HA -0.05 0.30 0.18 -0.75 4.18 3.86 2z8yP1 ILE 658 HB -0.21 -0.10 0.11 -0.04 1.89 1.65 2z8yP1 ILE 658 HG12 -1.92 0.01 -0.40 -0.04 1.49 -0.87 2z8yP1 ILE 658 HG13 -0.55 -0.01 -0.21 -0.04 1.21 0.40 2z8yP1 ILE 658 HG23 -0.20 -0.01 -0.12 -0.04 0.93 0.56 2z8yP1 ILE 658 HD13 -0.20 0.04 -0.21 -0.04 0.88 0.47 2z8yP1 SER 659 H -0.03 0.15 -0.54 -0.55 8.46 7.49 2z8yP1 SER 659 HA -0.06 0.09 0.30 -0.75 4.49 4.07 2z8yP1 SER 659 HB2 -0.10 -0.00 0.03 -0.04 3.95 3.83 2z8yP1 SER 659 HB3 -0.10 0.21 0.15 -0.04 3.93 4.15 2z8yP1 ALA 660 H 0.06 0.17 -0.05 -0.55 8.40 8.03 2z8yP1 ALA 660 HA 0.02 0.02 0.41 -0.75 4.34 4.04 2z8yP1 ALA 660 HB3 0.09 0.15 -0.02 -0.04 1.41 1.59 2z8yP1 ASP 661 H -0.04 0.49 -0.31 -0.55 8.40 7.99 2z8yP1 ASP 661 HA -0.01 0.20 0.84 -0.75 4.63 4.90 2z8yP1 ASP 661 HB2 -0.06 0.02 0.02 -0.04 2.71 2.66 2z8yP1 ASP 661 HB3 -0.02 0.02 0.13 -0.04 2.70 2.79 2z8yP1 GLY 662 H -0.04 0.36 -0.14 -0.55 8.43 8.07 2z8yP1 GLY 662 HA2 -0.03 -0.00 0.28 -0.51 4.01 3.75 2z8yP1 GLY 662 HA3 -0.01 0.20 0.76 -0.51 4.01 4.45 2z8yP1 GLY 663 H -0.11 0.41 -0.08 -0.55 8.43 8.11 2z8yP1 GLY 663 HA2 -0.10 0.24 0.14 -0.51 4.01 3.78 2z8yP1 GLY 663 HA3 0.02 0.02 0.17 -0.51 4.01 3.71 2z8yP1 ILE 664 H 0.16 0.20 0.13 -0.55 8.25 8.20 2z8yP1 ILE 664 HA 0.51 -0.00 0.05 -0.75 4.18 3.99 2z8yP1 ILE 664 HB 0.30 -0.03 0.03 -0.04 1.89 2.15 2z8yP1 ILE 664 HG12 -0.12 0.04 0.03 -0.04 1.49 1.40 2z8yP1 ILE 664 HG13 -0.19 0.02 -0.06 -0.04 1.21 0.94 2z8yP1 ILE 664 HG23 0.01 0.00 0.06 -0.04 0.93 0.96 2z8yP1 ILE 664 HD13 -0.47 -0.00 -0.17 -0.04 0.88 0.20 2z8yP1 ALA 665 H -0.00 0.18 -0.40 -0.55 8.40 7.64 2z8yP1 ALA 665 HA -0.16 -0.01 0.34 -0.75 4.34 3.76 2z8yP1 ALA 665 HB3 -0.07 0.03 0.02 -0.04 1.41 1.35 2z8yP1 ARG 666 H 0.18 0.58 -0.31 -0.55 8.46 8.36 2z8yP1 ARG 666 HA 0.25 0.14 0.56 -0.75 4.34 4.53 2z8yP1 ARG 666 HB2 0.13 0.04 -0.10 -0.04 1.90 1.92 2z8yP1 ARG 666 HB3 0.10 -0.22 0.03 -0.04 1.80 1.67 2z8yP1 ARG 666 HG2 0.08 -0.02 -0.07 -0.04 1.67 1.62 2z8yP1 ARG 666 HG3 0.02 -0.01 -0.11 -0.04 1.67 1.54 2z8yP1 ARG 666 HD2 0.03 -0.20 0.01 -0.04 3.22 3.02 2z8yP1 ARG 666 HD3 0.08 0.19 0.15 -0.04 3.22 3.60 2z8yP1 ILE 667 H 0.41 0.44 -0.27 -0.55 8.25 8.29 2z8yP1 ILE 667 HA 0.20 0.15 0.49 -0.75 4.18 4.27 2z8yP1 ILE 667 HB 0.36 0.10 0.08 -0.04 1.89 2.39 2z8yP1 ILE 667 HG12 0.30 -0.06 -0.14 -0.04 1.49 1.55 2z8yP1 ILE 667 HG13 0.43 -0.02 -0.11 -0.04 1.21 1.47 2z8yP1 ILE 667 HG23 0.06 -0.04 -0.20 -0.04 0.93 0.70 2z8yP1 ILE 667 HD13 0.34 -0.01 -0.05 -0.04 0.88 1.11 2z8yP1 VAL 668 H 0.10 0.46 0.38 -0.55 8.24 8.63 2z8yP1 VAL 668 HA -0.26 0.28 0.85 -0.75 4.13 4.25 2z8yP1 VAL 668 HB -0.06 -0.11 -0.01 -0.04 2.12 1.90 2z8yP1 VAL 668 HG13 -0.32 0.08 -0.13 -0.04 0.97 0.56 2z8yP1 VAL 668 HG23 0.06 0.03 -0.14 -0.04 0.95 0.87 2z8yP1 TRP 669 H 0.16 0.24 0.16 -0.55 7.97 7.98 2z8yP1 TRP 669 HA -0.08 0.29 0.51 -0.75 4.62 4.58 2z8yP1 TRP 669 HB2 -0.05 0.07 -0.26 -0.04 3.23 2.95 2z8yP1 TRP 669 HB3 -0.03 -0.10 -0.05 -0.04 3.23 3.02 2z8yP1 TRP 669 HD1 -0.08 -0.02 -0.15 -0.04 7.22 6.93 2z8yP1 TRP 669 HE1 -0.06 0.20 -0.35 -0.04 10.20 9.95 2z8yP1 TRP 669 HE3 -0.02 -0.02 -0.38 -0.04 7.59 7.13 2z8yP1 TRP 669 HZ2 0.03 -0.05 -0.04 -0.04 7.44 7.34 2z8yP1 TRP 669 HZ3 0.01 0.06 0.01 -0.04 7.13 7.17 2z8yP1 TRP 669 HH2 0.07 -0.03 -0.02 -0.04 7.19 7.17 2z8yP1 MET 670 H -1.01 0.66 0.21 -0.55 8.47 7.78 2z8yP1 MET 670 HA -0.31 0.33 0.78 -0.75 4.52 4.57 2z8yP1 MET 670 HB2 -0.41 0.07 -0.12 -0.04 2.15 1.64 2z8yP1 MET 670 HB3 -0.38 0.00 -0.13 -0.04 2.03 1.48 2z8yP1 MET 670 HG2 -0.12 -0.01 0.05 -0.04 2.63 2.50 2z8yP1 MET 670 HG3 -0.13 0.03 -0.29 -0.04 2.56 2.13 2z8yP1 MET 670 HE3 -0.60 0.01 -0.15 -0.04 2.10 1.33 2z8yP1 PRO 671 HA -0.93 -0.04 0.75 -0.51 4.44 3.72 2z8yP1 PRO 671 HB2 -0.38 -0.15 0.06 -0.04 2.28 1.78 2z8yP1 PRO 671 HB3 -0.99 0.04 0.18 -0.04 2.02 1.21 2z8yP1 PRO 671 HG2 -0.16 -0.03 0.14 -0.04 2.03 1.95 2z8yP1 PRO 671 HG3 -0.34 0.12 0.16 -0.04 2.03 1.93 2z8yP1 PRO 671 HD2 -0.26 0.03 0.16 -0.04 3.68 3.57 2z8yP1 PRO 671 HD3 -0.17 0.65 0.32 -0.04 3.65 4.40 2z8yP1 LYS 672 H -0.38 0.09 0.28 -0.55 8.42 7.86 2z8yP1 LYS 672 HA -0.23 0.20 0.41 -0.75 4.32 3.94 2z8yP1 LYS 672 HB2 -0.17 0.00 0.17 -0.04 1.87 1.84 2z8yP1 LYS 672 HB3 -0.12 -0.03 0.15 -0.04 1.79 1.75 2z8yP1 LYS 672 HG2 -0.08 -0.04 -0.00 -0.04 1.46 1.30 2z8yP1 LYS 672 HG3 -0.08 0.08 0.03 -0.04 1.46 1.45 2z8yP1 LYS 672 HD2 -0.04 0.05 -0.01 -0.04 1.69 1.65 2z8yP1 LYS 672 HD3 -0.05 -0.05 -0.04 -0.04 1.68 1.50 2z8yP1 LYS 672 HE2 -0.02 0.03 -0.04 -0.04 2.99 2.92 2z8yP1 LYS 672 HE3 -0.03 -0.05 -0.11 -0.04 2.99 2.76 2z8yP1 SER 673 H -0.17 0.07 -0.21 -0.55 8.46 7.60 2z8yP1 SER 673 HA -0.03 0.09 0.21 -0.75 4.49 4.01 2z8yP1 SER 673 HB2 -0.02 0.08 0.02 -0.04 3.95 3.99 2z8yP1 SER 673 HB3 -0.03 0.03 0.07 -0.04 3.93 3.96 2z8yP1 LEU 674 H -0.19 0.30 -0.57 -0.55 8.37 7.36 2z8yP1 LEU 674 HA -0.05 0.06 0.28 -0.75 4.35 3.88 2z8yP1 LEU 674 HB2 -0.17 -0.12 0.02 -0.04 1.64 1.33 2z8yP1 LEU 674 HB3 -0.21 0.15 -0.10 -0.04 1.64 1.45 2z8yP1 LEU 674 HG -0.10 -0.04 -0.09 -0.04 1.64 1.37 2z8yP1 LEU 674 HD13 -0.10 0.02 -0.14 -0.04 0.93 0.67 2z8yP1 LEU 674 HD23 -0.04 -0.02 -0.00 -0.04 0.89 0.79 2z8yP1 LYS 675 H -0.17 0.35 -0.22 -0.55 8.42 7.83 2z8yP1 LYS 675 HA -0.24 0.07 0.35 -0.75 4.32 3.75 2z8yP1 LYS 675 HB2 -0.14 0.08 0.21 -0.04 1.87 1.98 2z8yP1 LYS 675 HB3 -0.10 -0.03 -0.02 -0.04 1.79 1.60 2z8yP1 LYS 675 HG2 -0.37 -0.01 -0.06 -0.04 1.46 0.98 2z8yP1 LYS 675 HG3 -0.32 0.02 -0.15 -0.04 1.46 0.96 2z8yP1 LYS 675 HD2 -0.16 -0.12 -0.03 -0.04 1.69 1.34 2z8yP1 LYS 675 HD3 -0.18 0.01 -0.05 -0.04 1.68 1.43 2z8yP1 LYS 675 HE2 -0.25 0.11 -0.04 -0.04 2.99 2.77 2z8yP1 LYS 675 HE3 -0.35 -0.05 -0.16 -0.04 2.99 2.40 2z8yP1 ASP 676 H -0.03 0.53 -0.05 -0.55 8.40 8.30 2z8yP1 ASP 676 HA 0.06 -0.02 0.19 -0.75 4.63 4.10 2z8yP1 ASP 676 HB2 0.02 0.08 0.08 -0.04 2.71 2.84 2z8yP1 ASP 676 HB3 0.01 -0.01 0.04 -0.04 2.70 2.70 2z8yP1 PHE 677 H 0.15 0.27 -0.47 -0.55 8.34 7.74 2z8yP1 PHE 677 HA 0.00 0.03 0.43 -0.75 4.62 4.33 2z8yP1 PHE 677 HB2 -0.02 0.04 0.10 -0.04 3.15 3.22 2z8yP1 PHE 677 HB3 -0.04 0.07 0.07 -0.04 3.06 3.12 2z8yP1 PHE 677 HD2 -0.01 0.03 -0.13 -0.04 7.28 7.13 2z8yP1 PHE 677 HE2 -0.00 -0.03 -0.04 -0.04 7.38 7.27 2z8yP1 PHE 677 HZ -0.01 -0.00 -0.01 -0.04 7.32 7.26 2z8yP1 LEU 678 H 0.09 0.60 -0.10 -0.55 8.37 8.42 2z8yP1 LEU 678 HA -0.02 0.25 1.14 -0.75 4.35 4.96 2z8yP1 LEU 678 HB2 0.10 -0.03 0.03 -0.04 1.64 1.70 2z8yP1 LEU 678 HB3 0.10 -0.03 0.05 -0.04 1.64 1.71 2z8yP1 LEU 678 HG 0.26 -0.08 -0.16 -0.04 1.64 1.62 2z8yP1 LEU 678 HD13 -0.11 0.02 -0.04 -0.04 0.93 0.76 2z8yP1 LEU 678 HD23 0.09 -0.04 -0.13 -0.04 0.89 0.78 2z8yP1 HIS 679 H 0.11 0.39 -0.29 -0.55 8.41 8.08 2z8yP1 HIS 679 HA 0.05 0.02 0.25 -0.75 4.63 4.19 2z8yP1 HIS 679 HB2 -0.01 0.06 -0.02 -0.04 3.26 3.24 2z8yP1 HIS 679 HB3 -0.01 -0.00 0.15 -0.04 3.20 3.29 2z8yP1 HIS 679 HD2 -0.01 0.01 -0.08 -0.04 6.97 6.84 2z8yP1 HIS 679 HE1 0.02 0.00 -0.05 -0.04 7.75 7.67 2z8yP1 ASP 680 H 0.18 0.21 -0.05 -0.55 8.40 8.19 2z8yP1 ASP 680 HA 0.20 0.02 0.23 -0.75 4.63 4.32 2z8yP1 ASP 680 HB2 0.04 0.03 0.08 -0.04 2.71 2.83 2z8yP1 ASP 680 HB3 0.05 0.03 0.01 -0.04 2.70 2.74 2z8yP1 GLU 681 H 0.04 0.14 -0.32 -0.55 8.60 7.91 2z8yP1 GLU 681 HA 0.00 0.08 0.72 -0.75 4.29 4.34 2z8yP1 GLU 681 HB2 0.01 -0.03 0.07 -0.04 2.09 2.09 2z8yP1 GLU 681 HB3 0.02 0.07 -0.07 -0.04 1.99 1.97 2z8yP1 GLU 681 HG2 -0.00 0.05 0.03 -0.04 2.34 2.38 2z8yP1 GLU 681 HG3 -0.01 0.00 0.07 -0.04 2.34 2.37 2z8yP1 PHE 682 H 0.13 0.65 0.01 -0.55 8.34 8.58 2z8yP1 PHE 682 HA -0.04 0.08 0.61 -0.75 4.62 4.52 2z8yP1 PHE 682 HB2 -0.05 0.09 -0.06 -0.04 3.15 3.09 2z8yP1 PHE 682 HB3 -0.11 -0.05 0.05 -0.04 3.06 2.91 2z8yP1 PHE 682 HD2 -0.04 -0.04 -0.14 -0.04 7.28 7.02 2z8yP1 PHE 682 HE2 0.00 0.01 -0.12 -0.04 7.38 7.24 2z8yP1 PHE 682 HZ 0.28 0.15 -0.08 -0.04 7.32 7.63 2z8yP1 VAL 683 H -0.04 0.64 0.12 -0.55 8.24 8.41 2z8yP1 VAL 683 HA -0.04 0.04 0.58 -0.75 4.13 3.95 2z8yP1 VAL 683 HB -0.06 0.06 0.12 -0.04 2.12 2.19 2z8yP1 VAL 683 HG13 -0.01 0.01 -0.03 -0.04 0.97 0.89 2z8yP1 VAL 683 HG23 -0.35 0.04 0.05 -0.04 0.95 0.65 2z8yP1 ARG 684 H -0.03 0.47 -0.16 -0.55 8.46 8.18 2z8yP1 ARG 684 HA -0.04 -0.03 0.47 -0.75 4.34 3.99 2z8yP1 ARG 684 HB2 -0.01 0.01 0.18 -0.04 1.90 2.03 2z8yP1 ARG 684 HB3 -0.02 0.09 0.17 -0.04 1.80 2.00 2z8yP1 ARG 684 HG2 -0.03 0.02 0.12 -0.04 1.67 1.73 2z8yP1 ARG 684 HG3 -0.02 -0.06 0.11 -0.04 1.67 1.66 2z8yP1 ARG 684 HD2 -0.01 -0.03 0.04 -0.04 3.22 3.17 2z8yP1 ARG 684 HD3 -0.01 -0.02 0.03 -0.04 3.22 3.18 2z8yP1 ARG 685 H -0.15 0.31 -0.78 -0.55 8.46 7.28 2z8yP1 ARG 685 HA -0.12 0.13 0.96 -0.75 4.34 4.55 2z8yP1 ARG 685 HB2 -0.27 0.10 0.22 -0.04 1.90 1.91 2z8yP1 ARG 685 HB3 -0.22 0.00 0.04 -0.04 1.80 1.58 2z8yP1 ARG 685 HG2 -0.07 -0.05 -0.13 -0.04 1.67 1.37 2z8yP1 ARG 685 HG3 -0.08 0.01 0.05 -0.04 1.67 1.61 2z8yP1 ARG 685 HD2 -0.06 -0.07 0.02 -0.04 3.22 3.07 2z8yP1 ARG 685 HD3 -0.05 0.18 -0.05 -0.04 3.22 3.26 2z8yP1 SER 686 H -0.24 0.47 0.12 -0.55 8.46 8.26 2z8yP1 SER 686 HA -0.34 0.08 0.43 -0.75 4.49 3.91 2z8yP1 SER 686 HB2 -0.08 0.14 0.15 -0.04 3.95 4.13 2z8yP1 SER 686 HB3 -0.09 -0.03 -0.00 -0.04 3.93 3.77 2z8yP1 VAL 687 H -0.10 0.42 -0.10 -0.55 8.24 7.91 2z8yP1 VAL 687 HA -0.07 -0.07 0.41 -0.75 4.13 3.64 2z8yP1 VAL 687 HB -0.06 0.09 0.01 -0.04 2.12 2.11 2z8yP1 VAL 687 HG13 -0.04 -0.00 -0.11 -0.04 0.97 0.78 2z8yP1 VAL 687 HG23 -0.04 0.02 -0.08 -0.04 0.95 0.81 2z8yP1 GLU 688 H -0.10 0.21 -0.45 -0.55 8.60 7.72 2z8yP1 GLU 688 HA -0.06 0.02 0.37 -0.75 4.29 3.86 2z8yP1 GLU 688 HB2 -0.08 0.11 0.11 -0.04 2.09 2.19 2z8yP1 GLU 688 HB3 -0.06 -0.05 0.19 -0.04 1.99 2.03 2z8yP1 GLU 688 HG2 -0.05 -0.10 0.05 -0.04 2.34 2.19 2z8yP1 GLU 688 HG3 -0.06 0.41 0.20 -0.04 2.34 2.85 2z8yP1 GLU 689 H -0.13 0.20 -0.95 -0.55 8.60 7.18 2z8yP1 GLU 689 HA -0.10 0.14 0.76 -0.75 4.29 4.34 2z8yP1 GLU 689 HB2 -0.22 0.02 0.11 -0.04 2.09 1.95 2z8yP1 GLU 689 HB3 -0.15 -0.03 0.19 -0.04 1.99 1.95 2z8yP1 GLU 689 HG2 -0.11 -0.01 -0.46 -0.04 2.34 1.73 2z8yP1 GLU 689 HG3 -0.15 -0.02 -0.03 -0.04 2.34 2.10 2z8yP1 GLY 690 H -0.10 0.44 -0.07 -0.55 8.43 8.16 2z8yP1 GLY 690 HA2 -0.07 -0.04 0.40 -0.51 4.01 3.78 2z8yP1 GLY 690 HA3 -0.08 0.02 0.37 -0.51 4.01 3.82 2z8yP1 LEU 691 H -0.18 0.60 -0.21 -0.55 8.37 8.04 2z8yP1 LEU 691 HA -0.14 0.20 0.72 -0.75 4.35 4.37 2z8yP1 LEU 691 HB2 -0.45 -0.09 0.05 -0.04 1.64 1.11 2z8yP1 LEU 691 HB3 -0.40 0.01 0.18 -0.04 1.64 1.39 2z8yP1 LEU 691 HG -0.33 0.07 -0.10 -0.04 1.64 1.24 2z8yP1 LEU 691 HD13 -1.13 -0.03 -0.02 -0.04 0.93 -0.29 2z8yP1 LEU 691 HD23 -0.27 0.01 -0.01 -0.04 0.89 0.58 2z8yP1 GLY 692 H -0.07 0.04 -0.49 -0.55 8.43 7.36 2z8yP1 GLY 692 HA2 -0.02 0.01 0.28 -0.51 4.01 3.77 2z8yP1 GLY 692 HA3 0.00 0.16 0.58 -0.51 4.01 4.24 2z8yP1 GLU 693 H 0.00 0.17 0.12 -0.55 8.60 8.34 2z8yP1 GLU 693 HA -0.00 0.18 0.67 -0.75 4.29 4.37 2z8yP1 GLU 693 HB2 0.01 0.01 0.11 -0.04 2.09 2.18 2z8yP1 GLU 693 HB3 0.01 0.02 0.10 -0.04 1.99 2.08 2z8yP1 GLU 693 HG2 -0.01 0.05 0.02 -0.04 2.34 2.35 2z8yP1 GLU 693 HG3 -0.01 -0.04 0.01 -0.04 2.34 2.26 2z8yP1 ASP 694 H 0.05 0.12 -0.34 -0.55 8.40 7.68 2z8yP1 ASP 694 HA 0.06 0.17 0.58 -0.75 4.63 4.69 2z8yP1 ASP 694 HB2 0.04 0.05 0.08 -0.04 2.71 2.84 2z8yP1 ASP 694 HB3 0.04 -0.04 -0.08 -0.04 2.70 2.58 2z8yP1 PHE 695 H 0.20 0.22 -0.31 -0.55 8.34 7.90 2z8yP1 PHE 695 HA 0.02 0.17 0.39 -0.75 4.62 4.44 2z8yP1 PHE 695 HB2 -0.04 0.27 0.06 -0.04 3.15 3.40 2z8yP1 PHE 695 HB3 -0.01 -0.11 0.02 -0.04 3.06 2.92 2z8yP1 PHE 695 HD2 -0.07 -0.03 -0.04 -0.04 7.28 7.10 2z8yP1 PHE 695 HE2 -0.14 0.01 -0.06 -0.04 7.38 7.15 2z8yP1 PHE 695 HZ 0.19 0.29 0.03 -0.04 7.32 7.79 2z8yP1 ILE 696 H 0.27 0.10 -0.20 -0.55 8.25 7.87 2z8yP1 ILE 696 HA -0.04 0.10 0.28 -0.75 4.18 3.76 2z8yP1 ILE 696 HB 0.41 -0.01 -0.03 -0.04 1.89 2.21 2z8yP1 ILE 696 HG12 -0.12 0.01 -0.10 -0.04 1.49 1.25 2z8yP1 ILE 696 HG13 -0.37 0.04 0.00 -0.04 1.21 0.85 2z8yP1 ILE 696 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 2z8yP1 ILE 696 HD13 -0.14 -0.03 -0.06 -0.04 0.88 0.62 2z8yP1 ASP 697 H 0.03 0.28 -0.72 -0.55 8.40 7.45 2z8yP1 ASP 697 HA 0.03 0.11 0.73 -0.75 4.63 4.74 2z8yP1 ASP 697 HB2 0.04 0.19 0.09 -0.04 2.71 3.00 2z8yP1 ASP 697 HB3 0.06 -0.03 0.12 -0.04 2.70 2.81 2z8yP1 LYS 698 H -0.05 1.09 -0.01 -0.55 8.42 8.89 2z8yP1 LYS 698 HA 0.02 0.10 0.74 -0.75 4.32 4.43 2z8yP1 LYS 698 HB2 0.00 0.02 0.08 -0.04 1.87 1.94 2z8yP1 LYS 698 HB3 0.08 -0.05 -0.01 -0.04 1.79 1.77 2z8yP1 LYS 698 HG2 -0.01 0.05 -0.02 -0.04 1.46 1.45 2z8yP1 LYS 698 HG3 0.03 -0.07 -0.12 -0.04 1.46 1.26 2z8yP1 LYS 698 HD2 0.12 -0.13 -0.01 -0.04 1.69 1.63 2z8yP1 LYS 698 HD3 0.05 0.21 -0.05 -0.04 1.68 1.86 2z8yP1 LYS 698 HE2 0.03 -0.01 0.07 -0.04 2.99 3.03 2z8yP1 LYS 698 HE3 0.01 0.05 0.05 -0.04 2.99 3.06 2z8yP1 ILE 699 H -0.05 0.19 -0.40 -0.55 8.25 7.44 2z8yP1 ILE 699 HA 0.02 0.14 0.71 -0.75 4.18 4.30 2z8yP1 ILE 699 HB -0.21 0.09 0.04 -0.04 1.89 1.77 2z8yP1 ILE 699 HG12 -0.07 0.41 -0.01 -0.04 1.49 1.78 2z8yP1 ILE 699 HG13 -0.54 -0.03 -0.24 -0.04 1.21 0.36 2z8yP1 ILE 699 HG23 -0.18 -0.03 -0.44 -0.04 0.93 0.25 2z8yP1 ILE 699 HD13 -0.25 -0.07 -0.15 -0.04 0.88 0.37 2z8yP1 ALA 700 H 0.05 0.63 0.12 -0.55 8.40 8.65 2z8yP1 ALA 700 HA -0.26 0.05 0.35 -0.75 4.34 3.72 2z8yP1 ALA 700 HB3 0.24 -0.01 0.14 -0.04 1.41 1.74 2z8yP1 ASP 701 H -0.25 0.14 0.28 -0.55 8.40 8.03 2z8yP1 ASP 701 HA -1.53 0.21 0.38 -0.75 4.63 2.94 2z8yP1 ASP 701 HB2 -0.49 -0.37 0.33 -0.04 2.71 2.14 2z8yP1 ASP 701 HB3 -0.54 0.35 0.15 -0.04 2.70 2.61 2z8yP1 GLU 702 H -0.26 0.08 0.20 -0.55 8.60 8.07 2z8yP1 GLU 702 HA 0.46 0.20 0.20 -0.75 4.29 4.40 2z8yP1 GLU 702 HB2 0.28 0.06 0.08 -0.04 2.09 2.48 2z8yP1 GLU 702 HB3 0.37 -0.01 0.17 -0.04 1.99 2.47 2z8yP1 GLU 702 HG2 0.05 0.10 -0.19 -0.04 2.34 2.25 2z8yP1 GLU 702 HG3 0.16 0.05 -0.01 -0.04 2.34 2.50 2z8yP1 THR 703 H -0.06 -0.04 -0.54 -0.55 8.28 7.09 2z8yP1 THR 703 HA 0.01 0.10 0.43 -0.75 4.39 4.18 2z8yP1 THR 703 HB -0.03 0.05 0.07 -0.04 4.32 4.38 2z8yP1 THR 703 HG23 -0.02 -0.03 -0.00 -0.04 1.22 1.12 2z8yP1 ILE 704 H -0.06 0.42 -0.02 -0.55 8.25 8.04 2z8yP1 ILE 704 HA -0.12 0.13 0.76 -0.75 4.18 4.20 2z8yP1 ILE 704 HB -0.25 -0.27 0.31 -0.04 1.89 1.64 2z8yP1 ILE 704 HG12 -1.23 0.07 0.03 -0.04 1.49 0.32 2z8yP1 ILE 704 HG13 -0.32 -0.01 -0.09 -0.04 1.21 0.75 2z8yP1 ILE 704 HG23 -0.32 0.02 -0.07 -0.04 0.93 0.52 2z8yP1 ILE 704 HD13 -0.54 0.00 0.01 -0.04 0.88 0.31 2z8yP1 GLY 705 H 0.18 0.37 0.04 -0.55 8.43 8.47 2z8yP1 GLY 705 HA2 0.05 0.11 0.37 -0.51 4.01 4.03 2z8yP1 GLY 705 HA3 0.04 -0.00 0.15 -0.51 4.01 3.69 2z8yP1 THR 706 H -0.02 0.11 0.08 -0.55 8.28 7.91 2z8yP1 THR 706 HA -0.24 0.27 0.75 -0.75 4.39 4.42 2z8yP1 THR 706 HB -0.09 -0.05 -0.16 -0.04 4.32 3.98 2z8yP1 THR 706 HG23 0.08 0.04 -0.17 -0.04 1.22 1.12 2z8yP1 THR 707 H -0.09 0.10 0.03 -0.55 8.28 7.77 2z8yP1 THR 707 HA -0.16 0.30 0.82 -0.75 4.39 4.59 2z8yP1 THR 707 HB -0.05 -0.13 -0.08 -0.04 4.32 4.01 2z8yP1 THR 707 HG23 -0.07 0.06 -0.00 -0.04 1.22 1.17 2z8yP1 VAL 708 H -0.08 0.36 0.15 -0.55 8.24 8.12 2z8yP1 VAL 708 HA -0.04 0.08 0.28 -0.75 4.13 3.69 2z8yP1 VAL 708 HB -0.03 -0.01 0.11 -0.04 2.12 2.15 2z8yP1 VAL 708 HG13 -0.01 0.02 -0.15 -0.04 0.97 0.79 2z8yP1 VAL 708 HG23 -0.05 0.06 0.02 -0.04 0.95 0.94 2z8yP1 ASP 709 H -0.02 0.10 -0.15 -0.55 8.40 7.77 2z8yP1 ASP 709 HA 0.00 0.12 0.42 -0.75 4.63 4.42 2z8yP1 ASP 709 HB2 -0.01 -0.04 0.05 -0.04 2.71 2.67 2z8yP1 ASP 709 HB3 0.00 0.05 0.02 -0.04 2.70 2.73 2z8yP1 GLU 710 H -0.01 0.16 -0.27 -0.55 8.60 7.93 2z8yP1 GLU 710 HA 0.02 0.15 0.58 -0.75 4.29 4.28 2z8yP1 GLU 710 HB2 -0.01 -0.18 0.12 -0.04 2.09 1.99 2z8yP1 GLU 710 HB3 0.02 0.17 0.08 -0.04 1.99 2.22 2z8yP1 GLU 710 HG2 0.01 0.10 0.05 -0.04 2.34 2.45 2z8yP1 GLU 710 HG3 -0.00 -0.06 -0.01 -0.04 2.34 2.23 2z8yP1 ILE 711 H 0.02 0.33 -0.16 -0.55 8.25 7.88 2z8yP1 ILE 711 HA 0.09 0.17 0.41 -0.75 4.18 4.10 2z8yP1 ILE 711 HB 0.15 0.02 -0.02 -0.04 1.89 1.99 2z8yP1 ILE 711 HG12 0.00 -0.02 -0.10 -0.04 1.49 1.33 2z8yP1 ILE 711 HG13 0.06 0.08 -0.34 -0.04 1.21 0.97 2z8yP1 ILE 711 HG23 0.08 -0.00 -0.27 -0.04 0.93 0.70 2z8yP1 ILE 711 HD13 0.08 0.02 -0.18 -0.04 0.88 0.76 2z8yP1 LEU 712 H 0.04 0.45 0.02 -0.55 8.37 8.33 2z8yP1 LEU 712 HA 0.06 0.06 0.37 -0.75 4.35 4.08 2z8yP1 LEU 712 HB2 0.02 0.11 0.11 -0.04 1.64 1.84 2z8yP1 LEU 712 HB3 0.03 0.02 0.02 -0.04 1.64 1.67 2z8yP1 LEU 712 HG 0.03 -0.03 0.00 -0.04 1.64 1.60 2z8yP1 LEU 712 HD13 0.02 0.02 0.01 -0.04 0.93 0.94 2z8yP1 LEU 712 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 2z8yP1 PRO 713 HA 0.04 0.03 0.44 -0.51 4.44 4.44 2z8yP1 PRO 713 HB2 0.08 0.03 0.07 -0.04 2.28 2.42 2z8yP1 PRO 713 HB3 0.05 -0.00 0.07 -0.04 2.02 2.09 2z8yP1 PRO 713 HG2 0.04 0.10 0.07 -0.04 2.03 2.20 2z8yP1 PRO 713 HG3 0.04 -0.02 0.06 -0.04 2.03 2.07 2z8yP1 PRO 713 HD2 0.06 0.14 -0.53 -0.04 3.68 3.31 2z8yP1 PRO 713 HD3 0.04 0.10 0.03 -0.04 3.65 3.78 2z8yP1 TYR 714 H 0.20 0.21 -0.17 -0.55 8.29 7.97 2z8yP1 TYR 714 HA 0.03 0.00 0.47 -0.75 4.56 4.30 2z8yP1 TYR 714 HB2 0.03 -0.03 0.11 -0.04 3.06 3.13 2z8yP1 TYR 714 HB3 0.04 0.13 0.12 -0.04 2.98 3.24 2z8yP1 TYR 714 HD2 0.03 0.03 -0.20 -0.04 7.15 6.96 2z8yP1 TYR 714 HE2 0.01 0.01 -0.31 -0.04 6.85 6.51 2z8yP1 LEU 715 H 0.18 0.65 -0.06 -0.55 8.37 8.59 2z8yP1 LEU 715 HA 0.10 0.14 0.49 -0.75 4.35 4.32 2z8yP1 LEU 715 HB2 0.07 -0.02 0.17 -0.04 1.64 1.82 2z8yP1 LEU 715 HB3 0.05 -0.03 0.06 -0.04 1.64 1.68 2z8yP1 LEU 715 HG 0.16 -0.01 -0.06 -0.04 1.64 1.69 2z8yP1 LEU 715 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.81 2z8yP1 LEU 715 HD23 0.02 0.02 0.14 -0.04 0.89 1.04 2z8yP1 GLU 716 H 0.03 0.48 -0.24 -0.55 8.60 8.33 2z8yP1 GLU 716 HA 0.03 0.04 0.53 -0.75 4.29 4.14 2z8yP1 GLU 716 HB2 0.02 0.15 0.31 -0.04 2.09 2.53 2z8yP1 GLU 716 HB3 0.01 -0.07 0.10 -0.04 1.99 1.99 2z8yP1 GLU 716 HG2 0.03 -0.02 0.03 -0.04 2.34 2.34 2z8yP1 GLU 716 HG3 0.04 0.11 0.04 -0.04 2.34 2.49 2z8yP1 GLU 717 H -0.03 0.47 0.16 -0.55 8.60 8.66 2z8yP1 GLU 717 HA -0.03 0.06 0.33 -0.75 4.29 3.91 2z8yP1 GLU 717 HB2 -0.02 -0.05 0.15 -0.04 2.09 2.12 2z8yP1 GLU 717 HB3 -0.02 -0.00 0.16 -0.04 1.99 2.08 2z8yP1 GLU 717 HG2 -0.10 0.08 -0.24 -0.04 2.34 2.04 2z8yP1 GLU 717 HG3 -0.04 -0.08 0.02 -0.04 2.34 2.20 2z8yP1 LYS 718 H -0.13 0.20 -0.81 -0.55 8.42 7.12 2z8yP1 LYS 718 HA -0.11 0.08 0.89 -0.75 4.32 4.43 2z8yP1 LYS 718 HB2 -0.26 0.15 0.09 -0.04 1.87 1.81 2z8yP1 LYS 718 HB3 -0.13 -0.07 0.09 -0.04 1.79 1.64 2z8yP1 LYS 718 HG2 -0.54 -0.09 -0.10 -0.04 1.46 0.69 2z8yP1 LYS 718 HG3 -1.26 0.00 0.01 -0.04 1.46 0.18 2z8yP1 LYS 718 HD2 -0.13 0.16 0.04 -0.04 1.69 1.72 2z8yP1 LYS 718 HD3 -0.12 -0.04 0.04 -0.04 1.68 1.53 2z8yP1 LYS 718 HE2 -0.06 -0.06 0.01 -0.04 2.99 2.83 2z8yP1 LYS 718 HE3 -0.18 0.00 -0.04 -0.04 2.99 2.73 2z8yP1 GLY 719 H -0.01 0.62 0.03 -0.55 8.43 8.52 2z8yP1 GLY 719 HA2 0.03 -0.00 0.40 -0.51 4.01 3.92 2z8yP1 GLY 719 HA3 0.01 -0.04 0.47 -0.51 4.01 3.94 2z8yP1 HIS 720 H 0.14 0.41 0.28 -0.55 8.41 8.70 2z8yP1 HIS 720 HA 0.11 0.21 0.64 -0.75 4.63 4.84 2z8yP1 HIS 720 HB2 0.05 0.16 0.19 -0.04 3.26 3.63 2z8yP1 HIS 720 HB3 0.07 -0.11 0.22 -0.04 3.20 3.34 2z8yP1 HIS 720 HD2 -0.05 0.18 -0.15 -0.04 6.97 6.91 2z8yP1 HIS 720 HE1 0.23 0.36 0.05 -0.04 7.75 8.35 2z8yP1 PRO 721 HA 0.01 0.02 0.24 -0.51 4.44 4.21 2z8yP1 PRO 721 HB2 -0.07 0.03 -0.05 -0.04 2.28 2.15 2z8yP1 PRO 721 HB3 -0.07 -0.00 0.12 -0.04 2.02 2.02 2z8yP1 PRO 721 HG2 -0.14 0.12 0.14 -0.04 2.03 2.11 2z8yP1 PRO 721 HG3 -0.14 -0.01 0.14 -0.04 2.03 1.98 2z8yP1 PRO 721 HD2 -0.55 0.10 0.28 -0.04 3.68 3.46 2z8yP1 PRO 721 HD3 -0.03 0.29 0.34 -0.04 3.65 4.21 2z8yP1 ALA 722 H 0.45 0.15 -0.32 -0.55 8.40 8.14 2z8yP1 ALA 722 HA 0.13 0.02 0.32 -0.75 4.34 4.05 2z8yP1 ALA 722 HB3 0.29 0.14 0.04 -0.04 1.41 1.84 2z8yP1 LEU 723 H 0.31 0.15 -0.24 -0.55 8.37 8.04 2z8yP1 LEU 723 HA 0.08 0.04 0.30 -0.75 4.35 4.02 2z8yP1 LEU 723 HB2 0.13 0.45 0.19 -0.04 1.64 2.37 2z8yP1 LEU 723 HB3 0.07 -0.10 -0.04 -0.04 1.64 1.53 2z8yP1 LEU 723 HG 0.11 0.00 0.06 -0.04 1.64 1.77 2z8yP1 LEU 723 HD13 0.06 -0.02 -0.08 -0.04 0.93 0.85 2z8yP1 LEU 723 HD23 0.05 0.00 0.00 -0.04 0.89 0.90 2z8yP1 THR 724 H 0.07 0.23 -0.42 -0.55 8.28 7.61 2z8yP1 THR 724 HA 0.03 0.23 0.92 -0.75 4.39 4.82 2z8yP1 THR 724 HB 0.02 -0.07 0.13 -0.04 4.32 4.36 2z8yP1 THR 724 HG23 0.02 -0.03 -0.14 -0.04 1.22 1.04 2z8yP1 MET 725 H 0.05 0.55 -0.28 -0.55 8.47 8.24 2z8yP1 MET 725 HA 0.01 0.01 0.71 -0.75 4.52 4.50 2z8yP1 MET 725 HB2 0.05 0.26 0.14 -0.04 2.15 2.55 2z8yP1 MET 725 HB3 0.02 -0.07 0.14 -0.04 2.03 2.07 2z8yP1 MET 725 HG2 0.00 -0.13 0.05 -0.04 2.63 2.51 2z8yP1 MET 725 HG3 0.02 0.28 -0.04 -0.04 2.56 2.78 2z8yP1 MET 725 HE3 0.00 -0.01 0.02 -0.04 2.10 2.07 2z8yP1 ASP 726 H 0.01 0.04 0.11 -0.55 8.40 8.01 2z8yP1 ASP 726 HA 0.01 0.07 0.51 -0.75 4.63 4.46 2z8yP1 ASP 726 HB2 0.00 0.10 -0.01 -0.04 2.71 2.76 2z8yP1 ASP 726 HB3 0.00 -0.05 0.11 -0.04 2.70 2.72 2z8yP1 PRO 727 HA 0.01 0.07 0.47 -0.51 4.44 4.47 2z8yP1 PRO 727 HB2 0.00 -0.05 0.00 -0.04 2.28 2.19 2z8yP1 PRO 727 HB3 0.00 -0.01 0.02 -0.04 2.02 1.99 2z8yP1 PRO 727 HG2 0.00 -0.03 0.07 -0.04 2.03 2.03 2z8yP1 PRO 727 HG3 0.01 0.09 0.08 -0.04 2.03 2.17 2z8yP1 PRO 727 HD2 0.00 0.01 0.20 -0.04 3.68 3.86 2z8yP1 PRO 727 HD3 0.01 0.23 0.20 -0.04 3.65 4.05 2z8yP1 ILE 728 H 0.00 0.14 0.00 -0.55 8.25 7.85 2z8yP1 ILE 728 HA -0.00 0.15 0.68 -0.75 4.18 4.25 2z8yP1 ILE 728 HB 0.00 0.22 -0.03 -0.04 1.89 2.05 2z8yP1 ILE 728 HG12 -0.03 -0.08 0.01 -0.04 1.49 1.35 2z8yP1 ILE 728 HG13 -0.02 -0.04 -0.03 -0.04 1.21 1.08 2z8yP1 ILE 728 HG23 0.00 -0.00 -0.12 -0.04 0.93 0.77 2z8yP1 ILE 728 HD13 -0.01 0.03 -0.01 -0.04 0.88 0.85 2z8yP1 MET 729 H -0.00 0.25 -0.23 -0.55 8.47 7.94 2z8yP1 MET 729 HA -0.01 0.14 0.19 -0.75 4.52 4.09 2z8yP1 MET 729 HB2 -0.00 0.01 0.01 -0.04 2.15 2.14 2z8yP1 MET 729 HB3 -0.00 0.01 -0.05 -0.04 2.03 1.95 2z8yP1 MET 729 HG2 -0.00 0.00 -0.06 -0.04 2.63 2.54 2z8yP1 MET 729 HG3 -0.00 0.05 -0.10 -0.04 2.56 2.46 2z8yP1 MET 729 HE3 -0.00 0.01 -0.02 -0.04 2.10 2.05