NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2364 8.3444 121.7116 55.7775 30.2250 173.8136 4 L 4.4334 8.2324 126.7789 51.2972 43.7819 174.1832 5 T 4.0409 9.2378 117.7351 61.5507 69.9925 173.5637 6 L 4.5443 8.2681 126.3997 53.6064 43.5642 175.7069 7 D 5.0587 8.0407 119.4196 51.6648 45.6835 177.3454 8 K 3.9357 8.5114 119.5428 60.1549 31.9641 179.7138 9 T 3.9237 7.8570 109.4250 64.8821 68.6354 176.1117 10 D 4.3866 8.0939 121.2498 57.1585 40.7786 178.7714 11 I 3.7126 7.7585 120.1994 64.2665 37.0841 178.2364 12 K 4.0358 7.8605 120.1113 59.6031 31.8647 178.7434 13 I 3.6977 7.8067 119.9090 64.3424 37.0995 178.2217 14 L 3.9806 7.6376 119.5841 58.2050 41.3241 179.6533 15 Q 4.1724 8.1552 116.6037 58.9076 28.7750 179.2390 16 V 3.7591 8.0868 119.3992 66.0173 31.5322 178.1555 17 L 4.2745 8.2184 120.4967 57.4422 41.2301 179.3514 18 Q 4.0963 8.4335 117.4328 58.8579 28.6703 178.5625 19 E 4.4735 8.0176 117.7425 57.1928 31.2765 176.1395 20 N 4.8177 8.3357 120.3195 51.6626 38.8416 174.2653 21 G 4.1343 8.4482 110.0016 45.7808 0.0000 171.7605 22 R 4.4604 7.2045 117.6374 55.5992 30.3280 175.8166 23 L 4.2044 7.7037 116.0901 54.9672 42.2858 177.4918 24 T 4.0856 8.2201 116.5325 61.6767 69.2785 175.1440 25 N 4.2042 8.7237 124.2709 56.7630 38.7489 177.1494 26 V 3.5720 7.8296 119.1585 66.1378 31.5272 177.7536 27 E 4.5872 7.9110 118.7296 59.0468 29.3663 178.7854 28 L 3.9825 8.1835 120.8810 58.2176 42.0203 179.1376 29 S 4.1428 8.4116 114.7127 61.5011 63.0404 176.3821 30 E 4.1450 8.0823 121.1263 58.6438 29.1952 179.3499 31 R 4.0039 7.8154 118.5809 59.1219 30.2977 178.5261 32 V 3.9979 7.3069 108.1200 60.1017 32.7585 175.8050 33 A 3.6485 7.6323 119.0515 52.8790 15.7428 176.5675 34 L 4.8018 8.2642 120.3468 52.2873 46.8591 177.6269 35 S 4.5495 8.2564 115.5148 57.1491 65.1048 173.6493 36 P 4.1928 0.0000 0.0000 66.1252 31.2589 178.7846 37 S 4.1786 8.1801 113.3389 61.2770 62.6885 175.0462 38 P 4.2142 0.0000 0.0000 66.1138 31.0792 177.5663 39 C 3.9596 7.9698 119.1138 62.1262 31.4001 175.4282 40 L 4.0246 8.6344 122.0678 58.1128 41.5849 178.9422 41 R 3.9276 7.9567 118.3399 59.4382 29.9188 178.4006 42 R 3.8947 8.3559 118.3432 59.1590 30.1107 178.4179 43 L 3.8260 8.5146 120.2664 58.4698 42.0487 179.3578 44 K 4.0109 8.1886 119.5960 59.3963 32.1148 178.8351 45 Q 4.0902 8.4724 118.5203 59.4009 28.3443 178.6529 46 L 4.0650 8.8168 121.5690 57.3316 41.5013 179.2982 47 E 3.9384 8.5025 118.7295 59.4067 29.3076 178.6422 48 D 4.4194 8.3795 117.9829 57.8340 41.1090 179.2171 49 A 4.1457 8.0949 119.7433 53.6785 18.3582 178.4411 50 G 3.9873 8.0599 104.3959 45.4198 0.0000 174.9029 51 I 3.6835 7.4471 120.0834 64.1334 37.3638 176.4878 52 V 3.7305 7.4371 121.9114 62.2766 31.3237 175.8779 53 R 4.2210 8.3216 124.6248 58.0544 30.3464 176.2878 54 Q 4.4560 7.1885 112.3532 55.6463 30.5915 172.4188 55 Y 4.5006 8.5240 116.4938 56.6774 39.6314 175.3533 56 A 4.5629 8.2189 124.6143 50.5330 22.2882 175.6266 57 A 4.3188 8.5804 125.6343 51.2567 19.0575 176.8605 58 L 4.4871 8.3623 123.3868 53.7794 43.0501 176.3840 59 L 4.6373 8.0804 122.2712 52.7034 44.1041 176.1457 60 S 4.3707 8.2783 115.9017 56.7396 62.6451 172.6931 61 P 4.0397 0.0000 0.0000 66.2822 30.6380 178.1340 62 E 4.0428 8.1443 117.1170 58.7816 29.4262 178.9651 63 S 4.2296 7.8785 114.0860 60.3309 62.9333 175.3376 64 V 4.1976 7.0737 113.6103 60.9598 32.0406 176.1879 65 N 4.3642 8.0366 117.1587 53.5537 38.3875 173.5505 66 L 4.4278 7.6717 117.3432 55.0582 40.6940 176.4587 67 G 3.9308 8.4319 111.4981 46.2369 0.0000 171.4062 68 L 4.6336 8.0652 123.1700 53.3677 44.2555 175.0889 69 Q 4.4469 8.6807 128.5099 54.3875 30.7891 173.5926 70 A 5.1653 8.6883 129.4648 50.4389 21.6187 175.3116 71 F 4.9715 8.7694 121.5123 56.0370 41.1251 174.9128 72 I 4.9035 9.1475 125.9984 59.5976 39.7893 175.2380 73 R 4.8297 9.5357 127.8271 55.3705 31.0884 175.8600 74 V 5.0069 9.0310 124.9635 61.0462 35.0836 174.4864 75 S 4.9484 8.7048 119.0674 56.6760 65.9944 172.6163 76 I 4.6039 8.3769 123.9428 58.8540 39.6653 175.0513 77 R 4.2465 9.1851 129.2069 56.2157 30.8589 177.1429 78 K 4.3238 8.5964 123.9394 55.0760 31.0884 175.7920 79 A 4.7285 7.6909 124.8359 50.5511 22.2441 176.6774 80 K 4.7008 8.5325 117.5303 56.6994 32.0689 178.0501 81 D 4.6651 8.6546 118.4522 53.6081 42.9548 177.3226 82 A 4.0524 8.2117 121.2631 54.9282 18.2359 179.6998 83 R 3.9759 7.9846 116.3876 59.5008 30.3384 178.9440 84 E 4.0167 8.1380 116.9333 59.3130 29.8188 178.5343 85 D 4.3120 8.3264 119.9703 57.0812 40.9548 178.5562 86 F 3.8967 8.4977 121.0416 61.2394 39.2678 176.9288 87 A 3.5056 7.8616 120.1292 54.8215 17.8558 179.4674 88 A 3.7541 7.9460 118.6274 55.3889 18.6983 179.8051 89 S 3.7254 7.9574 114.0105 61.4855 62.3068 176.8716 90 V 2.4659 6.8458 120.9819 65.8167 30.7600 178.0484 91 R 3.9511 7.0589 116.0743 57.9785 30.0446 178.1544 92 K 4.4086 7.5437 117.2881 56.1396 32.5387 176.6855 93 W 4.8663 7.1725 119.6679 55.0050 28.7075 175.3733 94 P 4.3417 0.0000 0.0000 64.9974 31.3144 177.3227 95 E 3.8226 8.1315 115.8892 56.9808 29.9790 175.8142 96 V 4.5165 7.3133 120.6676 61.4043 32.6927 174.8094 97 L 4.4630 8.8454 128.0509 56.3930 42.7379 177.3377 98 S 4.6146 7.7780 112.5228 56.9435 67.6991 173.1297 99 C 4.9833 7.5934 121.7652 58.3217 34.4893 173.0055 100 F 5.1540 9.5747 124.8280 55.5472 42.4501 173.9857 101 A 4.4254 9.1305 126.0927 51.7675 18.6751 176.4637 102 L 4.9455 8.4976 122.8501 52.9372 45.1477 176.8246 103 T 4.0897 8.3480 111.0683 61.7941 70.0464 175.1193 104 G 3.8003 8.4489 108.7738 44.2020 0.0000 172.2977 105 E 4.0665 8.8290 116.0178 59.4347 29.3441 177.6557 106 T 4.3216 7.6127 108.4863 60.7006 70.2106 173.9388 107 D 4.5303 8.6575 123.3689 56.1557 42.6181 175.9418 108 Y 5.3551 8.4643 114.8416 55.9592 42.3402 174.6558 109 L 5.3293 9.6861 124.4604 53.4910 45.2138 175.0735 110 L 5.3862 9.6512 126.4981 53.0510 45.2045 175.1663 111 Q 4.6547 9.0915 123.5030 54.2817 31.2851 174.1819 112 A 5.0656 8.8094 127.5356 50.2103 23.2333 174.3784 113 F 5.0807 8.4592 117.6550 55.8226 42.6921 174.6194 114 F 4.9434 9.1836 120.1590 56.2471 43.2400 175.7529 115 T 4.7091 9.0972 110.2939 63.2266 70.2329 174.3509 116 D 4.5565 7.9291 122.0401 53.0426 44.4674 177.7323 *118 N 4.5876 9.3480 116.2451 53.2578 40.8384 175.4671 119 A 3.9836 9.1601 120.9908 54.9249 18.4038 179.3527 120 F 3.1456 7.8747 118.9532 61.3034 39.4471 177.3379 121 S 4.1677 8.1966 114.2631 62.1656 62.5847 176.4510 122 H 4.4282 7.9954 120.1143 58.2038 28.3598 177.6997 123 F 3.9261 7.8614 122.0240 61.0772 39.1345 177.4621 124 V 3.0906 7.7435 118.0877 65.8782 31.1506 178.1106 125 L 3.8618 7.5711 117.1995 57.6076 41.6712 178.0593 126 D 4.5746 8.1294 117.3741 55.2079 41.7115 177.4433 127 T 4.0895 7.2845 112.2239 64.9991 70.5685 175.1730 128 L 3.6969 7.2740 122.8349 58.0343 42.0716 178.6241 129 L 4.2507 7.8078 115.9677 55.6210 41.8259 177.6370 130 S 4.5114 7.6497 112.0043 58.1710 64.0765 173.6785 131 H 4.3614 7.9356 123.3495 56.0779 29.9680 175.2401 132 H 4.1257 9.1146 123.2576 59.0107 28.2297 176.6386 133 G 3.7061 7.8346 106.8052 48.7029 0.0000 174.2564 134 V 4.0431 7.9345 121.4947 63.0836 31.2969 175.6513 135 Q 4.3828 8.8610 129.3336 57.7924 30.7292 174.6484 136 D 4.8416 7.6445 115.0940 52.7343 45.1910 173.8148 137 A 5.2868 8.4906 123.8770 50.3783 22.7923 175.6669 138 Q 4.5358 9.5980 119.2108 54.3343 32.6123 174.2783 139 S 5.1630 8.8335 118.9095 56.6125 65.6422 173.6372 140 S 4.4559 8.7787 118.7445 56.6461 66.3880 172.6850 141 F 5.4416 8.0398 117.9420 55.7179 42.6520 175.2029 142 V 3.9056 8.8397 123.3226 63.1005 31.2754 175.9942 143 L 4.3900 8.5320 127.0285 55.4531 42.6508 176.5961 144 K 3.9883 7.4773 114.1225 55.6474 34.5538 173.9588 145 E 4.3226 8.9275 128.4687 55.2001 28.7528 175.9283 146 I 3.9234 8.3246 127.4836 63.6893 37.5417 176.8676 147 K 4.5522 7.5597 117.8934 55.5377 34.9102 175.2542 148 H 4.6217 8.4250 123.3691 56.1556 30.4266 172.3563 149 T 4.6235 8.2605 120.7033 60.2869 69.9184 173.8663 150 T 4.2736 8.2655 114.8377 61.6890 69.6267 174.4197 151 S 4.4287 8.0411 118.7697 57.3603 62.8991 173.5956 152 L 4.3626 8.5035 128.0040 53.3249 42.4625 174.8467 153 P 4.4856 0.0000 0.0000 62.8933 32.2339 176.0579 154 L 4.8495 8.2607 118.2866 54.5335 43.0244 177.8686 155 N 4.5881 8.1154 117.7007 55.4559 38.7614 176.2858 156 H 4.4979 8.2197 112.3933 56.9038 28.9667 175.8424 157 L 4.2537 7.6963 119.0021 55.3596 42.1695 176.6477 158 L 4.2706 7.4214 122.8872 54.7681 41.6711 176.2196 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.34 4.24 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 4 L 8.23 4.43 0.00 1.69 1.52 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.24 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 8.27 4.54 0.00 1.65 1.63 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.04 5.06 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.51 3.94 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 9 T 7.86 3.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 D 8.09 4.39 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.76 3.71 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.98 0.00 0.00 12 K 7.86 4.04 0.00 1.85 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.55 7.81 13 I 7.81 3.70 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.95 0.00 0.00 14 L 7.64 3.98 0.00 1.82 1.72 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.16 4.17 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 16 V 8.09 3.76 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 17 L 8.22 4.27 0.00 1.95 1.82 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.43 4.10 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 19 E 8.02 4.47 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 20 N 8.34 4.82 0.00 2.68 2.68 0.00 0.00 7.14 8.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.45 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.20 4.46 0.00 1.74 1.88 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 23 L 7.70 4.20 0.00 1.68 1.59 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.22 4.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 25 N 8.72 4.20 0.00 2.80 2.79 0.00 0.00 6.66 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.83 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 27 E 7.91 4.59 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.22 0.00 28 L 8.18 3.98 0.00 1.74 1.68 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.41 4.14 0.00 4.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.08 4.14 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 31 R 7.82 4.00 0.00 1.98 2.04 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 32 V 7.31 4.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 33 A 7.63 3.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.26 4.80 0.00 1.55 1.53 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.26 4.55 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.19 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 37 S 8.18 4.18 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.21 0.00 2.26 2.31 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 39 C 7.97 3.96 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.63 4.02 0.00 2.05 1.78 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.96 3.93 0.00 1.92 2.09 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 42 R 8.36 3.89 0.00 2.08 1.95 0.00 3.21 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 43 L 8.51 3.83 0.00 1.82 1.71 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.19 4.01 0.00 2.02 1.99 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 45 Q 8.47 4.09 0.00 2.29 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 46 L 8.82 4.06 0.00 1.87 1.77 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.50 3.94 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 48 D 8.38 4.42 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.09 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.45 3.68 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.90 0.00 0.00 52 V 7.44 3.73 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.87 0.00 0.00 53 R 8.32 4.22 0.00 1.92 2.00 0.00 3.11 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 54 Q 7.19 4.46 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 55 Y 8.52 4.50 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.22 4.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.58 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.36 4.49 0.00 1.63 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 4.64 0.00 1.50 1.47 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.37 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.04 0.00 2.42 1.69 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 62 E 8.14 4.04 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 63 S 7.88 4.23 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.07 4.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 65 N 8.04 4.36 0.00 2.89 2.95 0.00 0.00 7.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.67 4.43 0.00 1.66 1.76 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.43 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.07 4.63 0.00 1.70 1.54 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.68 4.45 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 70 A 8.69 5.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.77 4.97 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.15 4.90 2.12 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 1.12 0.00 0.00 73 R 9.54 4.83 0.00 1.92 1.93 0.00 3.09 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 74 V 9.03 5.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.23 0.00 0.00 75 S 8.70 4.95 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.38 4.60 1.92 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.99 0.00 0.00 77 R 9.19 4.25 0.00 1.83 1.84 0.00 3.17 0.00 0.00 3.10 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 78 K 8.60 4.32 0.00 1.77 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.50 7.81 79 A 7.69 4.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.53 4.70 0.00 1.78 1.86 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 81 D 8.65 4.67 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.21 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.98 3.98 0.00 1.95 2.15 0.00 3.19 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 84 E 8.14 4.02 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 85 D 8.33 4.31 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.50 3.90 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.86 3.51 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.95 3.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.96 3.73 0.00 3.19 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 6.85 2.47 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.36 0.00 0.00 91 R 7.06 3.95 0.00 1.71 1.84 0.00 3.10 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 92 K 7.54 4.41 0.00 1.61 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.49 7.81 93 W 7.17 4.87 0.00 3.67 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.34 0.00 2.17 2.20 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 95 E 8.13 3.82 0.00 1.30 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.47 0.00 96 V 7.31 4.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.13 0.00 0.00 97 L 8.85 4.46 0.00 1.56 1.74 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.78 4.61 0.00 3.78 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.59 4.98 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.57 5.15 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.13 4.43 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.50 4.95 0.00 1.50 1.55 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.35 4.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 104 G 8.45 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.83 4.07 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 106 T 7.61 4.32 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 107 D 8.66 4.53 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.25 0.00 0.00 116 D 7.93 4.56 0.00 2.74 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 N 9.35 4.59 0.00 2.83 3.01 0.00 0.00 6.79 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 9.16 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.87 3.15 0.00 2.67 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.20 4.17 0.00 4.13 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.00 4.43 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.86 3.93 0.00 3.20 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.74 3.09 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 -0.07 0.00 0.00 125 L 7.57 3.86 0.00 1.66 1.64 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.13 4.57 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.28 4.09 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 128 L 7.27 3.70 0.00 0.79 1.39 1.25 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.81 4.25 0.00 1.66 1.64 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.65 4.51 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.94 4.36 0.00 3.58 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.11 4.13 0.00 3.27 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.93 4.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.81 0.00 0.00 135 Q 8.86 4.38 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 136 D 7.64 4.84 0.00 2.83 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.49 5.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 9.60 4.54 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 139 S 8.83 5.16 0.00 3.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.78 4.46 0.00 3.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.04 5.44 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.84 3.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.17 0.00 0.00 143 L 8.53 4.39 0.00 1.70 1.72 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.48 3.99 0.00 1.67 1.66 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.32 7.81 145 E 8.93 4.32 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 146 I 8.32 3.92 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.92 0.00 0.00 147 K 7.56 4.55 0.00 1.68 1.64 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 148 H 8.42 4.62 0.00 3.12 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.26 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 150 T 8.27 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 151 S 8.04 4.43 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.50 4.36 0.00 1.67 1.56 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.49 0.00 2.11 2.01 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 154 L 8.26 4.85 0.00 1.69 1.67 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.12 4.59 0.00 2.79 2.87 0.00 0.00 6.82 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.22 4.50 0.00 3.26 3.39 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.70 4.25 0.00 1.75 1.73 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.42 4.27 0.00 1.67 1.57 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.