NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4499 8.3349 115.4176 58.7206 64.1625 173.6366 -1 N 4.5445 8.6431 120.7616 53.0343 38.5366 173.2741 0 A 4.2764 8.4979 123.8966 52.1474 20.1478 179.0668 1 M 4.4334 8.3209 123.5698 54.0440 30.5433 175.4349 2 L 4.8418 7.3986 119.7970 51.9610 46.5445 176.0108 3 D 4.3631 8.6559 119.4791 54.7968 41.6167 178.0274 4 V 3.7594 8.6939 127.3671 66.4794 31.7591 178.7845 5 K 4.0299 8.3056 120.1402 56.9853 31.5649 181.0242 6 S 4.6952 8.2242 111.9612 58.5193 63.4487 174.1577 7 Q 4.3191 7.5556 119.8751 56.0054 29.8380 175.1618 8 D 4.4162 8.4912 118.9614 55.5760 37.8383 174.5819 9 I 4.0824 7.6712 110.5332 61.7049 38.9322 175.0007 10 S 4.8014 7.6547 114.8704 56.5857 65.1509 171.9517 11 I 4.7415 7.9399 111.1884 58.1498 39.0438 173.2153 12 P 4.4213 0.0000 0.0000 62.3796 31.9181 177.6044 13 E 4.0257 8.7801 121.5938 58.5594 30.0478 176.6679 14 A 4.6653 7.3769 119.7313 52.7602 19.4721 177.0306 15 V 4.7748 9.0624 113.8482 59.7991 37.0081 174.7085 16 V 4.9070 8.8952 115.4713 59.6620 34.9342 174.9322 17 V 4.8205 9.0108 124.9213 61.1600 34.1410 174.1426 18 L 5.1265 8.7835 128.1913 53.8742 43.5721 175.2495 19 C 5.9122 9.1308 122.3160 57.8964 35.6316 172.3704 20 T 5.2426 8.6868 113.7897 59.9264 70.8305 173.0035 21 A 4.7910 8.7748 126.3921 49.3184 21.9031 175.7091 22 P 4.6859 0.0000 0.0000 65.0603 32.1276 176.5264 23 D 4.5415 7.4943 116.9090 51.1401 42.6777 175.8774 24 E 3.8684 8.5934 120.9473 59.6398 29.6498 178.9871 25 A 4.1697 7.9336 120.0716 55.4607 18.4358 179.4798 26 T 3.7465 8.3035 113.9941 66.7113 68.4961 176.6600 27 A 3.9422 8.1114 122.6161 55.2958 18.3292 179.7031 28 Q 3.9415 8.4540 116.9431 59.2189 28.8778 178.8792 29 D 4.3115 8.2371 119.8820 57.1808 40.8814 178.6434 30 L 3.9450 8.0939 119.4243 57.8305 41.6762 179.4477 31 A 3.9634 8.1506 120.2871 55.2939 18.3286 179.6207 32 A 3.9706 8.3046 119.3956 54.8734 18.3509 179.8882 33 K 3.8698 7.8063 118.0003 59.8111 32.3039 179.6249 34 V 3.7255 7.7835 112.5678 64.0366 31.3588 178.7344 35 L 3.9372 8.1306 118.9014 57.7010 41.3169 179.0264 36 A 4.0075 7.9015 119.5391 55.2282 18.3754 178.7233 37 E 4.1474 8.0868 113.6786 55.6572 30.2993 176.6508 38 K 3.7465 7.7530 117.9348 57.4738 30.2375 175.5051 39 L 4.3435 8.0031 116.4247 55.1048 42.6768 176.9239 40 A 4.7001 7.3983 119.4537 50.4396 22.2956 175.7490 41 A 4.0451 8.9824 123.4587 54.7956 19.2374 177.7315 42 C 4.9641 7.4937 107.3752 57.5792 32.7688 172.9776 43 A 5.2683 8.6623 120.7913 50.5052 21.8621 175.4645 44 T 4.6526 9.1151 117.9541 61.6651 71.7048 173.1102 45 L 5.1047 8.6542 125.5654 53.0421 44.8102 176.6600 46 L 4.6594 9.0160 123.7815 52.1877 42.4807 174.4341 47 P 4.5912 0.0000 0.0000 61.9746 32.8450 175.8153 48 G 3.7476 8.6046 105.6464 46.5628 0.0000 173.8164 49 A 4.4098 7.7798 120.9193 51.6551 20.1988 177.5196 50 T 5.0548 8.4635 116.1945 62.2495 70.1990 174.3237 51 S 4.7677 9.1508 123.4615 56.7593 65.5209 173.3881 52 L 5.2830 8.0114 122.0770 53.2822 44.8960 175.2779 53 Y 4.8001 9.0376 119.0368 56.6798 42.9978 173.8302 54 Y 5.1890 8.9360 124.0064 56.1495 39.7352 173.4691 *55 W 4.3586 8.6450 127.5640 55.4586 30.2763 176.2437 56 E 3.6333 9.3978 119.2291 56.0818 26.3788 171.8594 57 G 3.5419 8.5694 107.7990 46.5359 0.0000 174.6302 58 K 4.7155 7.2405 122.4879 52.7250 36.0321 179.2622 59 L 4.5936 9.0025 127.6343 54.6635 42.7476 175.8739 60 E 4.9423 9.8872 124.9756 54.6782 33.9403 174.5638 61 Q 4.9639 8.5558 122.1760 54.7379 32.0912 173.8613 62 E 4.7808 9.4145 125.0333 54.7048 34.4255 174.1990 63 Y 5.1629 8.4394 119.9302 58.0486 39.1463 174.6790 64 E 5.0099 9.6472 122.5367 55.0120 35.2833 174.0550 65 V 4.7242 8.8893 121.2507 61.3386 33.8293 174.2850 66 Q 4.5474 8.7528 130.0254 55.9764 30.3170 174.2195 67 M 5.0835 9.2828 126.7585 53.8238 35.0551 175.2932 68 I 4.8926 8.8736 122.8759 59.7694 41.0518 174.1738 69 L 5.1199 9.2552 127.9464 52.9338 44.3777 175.7872 70 K 4.8840 8.8192 123.1880 55.8234 33.7744 175.4711 71 T 4.4430 8.8003 120.8998 61.4869 71.0120 172.2699 72 T 5.1240 8.4141 108.0855 59.1390 72.3447 174.6328 73 V 3.5940 8.3243 121.7742 66.5724 31.1279 178.5500 74 S 4.1219 7.6675 114.0240 61.0104 62.9143 175.3383 75 H 4.7693 7.9113 116.8436 55.5297 28.9469 176.6469 76 Q 4.0233 7.8903 121.9942 59.3886 28.3721 178.3402 77 Q 3.9337 8.0278 120.8731 58.8275 29.2064 177.8079 78 A 3.9940 7.9344 121.4392 54.7423 18.3885 179.2501 79 L 3.9031 8.0771 119.0600 58.4251 42.1350 179.2733 80 I 3.7203 7.8842 119.7540 64.6054 37.0600 178.2517 81 D 4.3379 8.3590 119.8897 57.2062 40.6584 178.4775 82 C 4.0717 8.2666 119.3046 62.4913 31.4525 175.4152 83 L 4.0106 7.9384 119.4672 57.7931 41.4473 179.2569 84 K 4.0937 8.3523 119.5994 59.7402 31.9639 178.9956 85 S 4.1303 7.9377 114.0675 61.2922 62.7599 175.4807 86 H 4.7844 7.6645 115.4636 54.8584 28.0593 174.1694 87 H 4.6541 7.4436 122.2820 53.9878 30.7942 174.4928 88 P 4.4891 0.0000 0.0000 65.5840 31.5490 176.5693 89 Y 4.6731 7.2888 113.8093 57.4023 38.6077 175.6216 90 Q 4.1969 8.8185 122.1556 59.1734 29.2052 177.5760 91 T 4.6392 7.3662 110.4276 59.5364 67.4263 170.9877 92 P 4.5692 0.0000 0.0000 61.7144 32.8202 176.7561 93 E 4.0770 8.7275 121.4711 56.7897 30.7234 175.8783 94 L 5.0377 8.4203 127.0317 53.8764 44.4869 174.5103 95 L 4.8106 8.7985 123.2119 52.6949 45.9132 175.6999 96 V 4.6676 8.5325 123.3069 61.3416 33.1193 174.5178 97 L 4.8546 9.0770 128.7856 52.4307 43.8990 173.9037 98 P 4.8008 0.0000 0.0000 62.2838 32.5268 175.6708 99 V 4.1293 8.1543 125.0717 62.5959 31.6459 175.7855 100 T 4.3965 8.4528 116.9610 62.1090 69.9923 173.1738 101 H 4.4775 7.1931 119.6376 55.6902 32.3917 171.8857 102 G 3.9263 7.3443 110.5343 43.8084 0.0000 172.9253 103 D 4.4295 7.9342 118.6041 54.1183 42.4912 176.5044 104 T 3.8861 8.5869 123.8572 67.1214 68.6223 176.4198 105 D 4.4182 8.1747 120.1420 57.4255 40.9310 177.9849 106 Y 4.1298 8.8186 120.4908 60.8620 38.7535 178.2730 107 L 4.0600 8.4005 120.0182 57.6975 41.6234 179.5962 108 S 4.1056 8.5280 115.7245 61.3955 62.7285 176.5564 109 W 3.9904 8.1879 130.9706 60.2042 30.2122 177.7637 110 L 3.1433 7.7264 119.1785 57.9344 41.3162 178.2820 111 N 4.3333 8.2550 116.4465 56.4380 38.5567 177.3379 112 A 3.9524 7.9723 121.8817 55.0709 18.1413 179.8379 113 S 3.7645 7.4288 113.3888 61.0134 62.7551 175.7846 114 L 4.1845 6.9985 118.2419 54.8816 41.5496 177.0463 115 R 4.1544 7.5782 124.1250 56.2317 30.2437 175.9995 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 -2 S 8.33 4.45 0.00 4.01 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 -1 N 8.64 4.54 0.00 2.82 2.88 0.00 0.00 6.75 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.50 4.28 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 1 M 8.32 4.43 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 2 L 7.40 4.84 0.00 1.57 1.51 0.96 1.11 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 3 D 8.66 4.36 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.69 3.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 5 K 8.31 4.03 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 6 S 8.22 4.70 0.00 3.91 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 7 Q 7.56 4.32 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 8 D 8.49 4.42 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.67 4.08 1.88 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 0.83 0.95 0.00 0.00 10 S 7.65 4.80 0.00 3.80 3.78 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 11 I 7.94 4.74 1.90 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 1.43 0.86 0.93 0.00 0.00 12 P 0.00 4.42 0.00 2.23 2.04 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 13 E 8.78 4.03 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 A 7.38 4.67 1.30 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 0.00 0.00 15 V 9.06 4.77 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 16 V 8.90 4.91 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 17 V 9.01 4.82 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 0.84 0.00 0.00 0.95 0.00 0.00 18 L 8.78 5.13 0.00 1.66 1.73 0.94 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 19 C 9.13 5.91 0.00 3.03 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 20 T 8.69 5.24 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 21 A 8.77 4.79 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 22 P 0.00 4.69 0.00 2.27 2.37 0.00 3.51 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 23 D 7.49 4.54 0.00 2.92 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 24 E 8.59 3.87 0.00 2.04 1.99 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 2.37 2.38 0.00 25 A 7.93 4.17 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 26 T 8.30 3.75 4.32 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 1.06 0.00 0.00 27 A 8.11 3.94 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 28 Q 8.45 3.94 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 29 D 8.24 4.31 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.95 0.00 1.78 1.72 0.78 1.04 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 31 A 8.15 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 3.97 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 33 K 7.81 3.87 0.00 1.96 1.97 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.50 7.81 34 V 7.78 3.73 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 0.79 0.00 0.00 1.03 0.00 0.00 35 L 8.13 3.94 0.00 1.84 1.71 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.90 4.01 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 37 E 8.09 4.15 0.00 2.09 1.99 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 2.52 2.49 0.00 38 K 7.75 3.75 0.00 1.78 1.73 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.34 7.81 39 L 8.00 4.34 0.00 1.74 1.71 0.95 0.62 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 40 A 7.40 4.70 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 41 A 8.98 4.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.49 4.96 0.00 3.14 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.66 5.27 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.12 4.65 4.27 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 0.00 0.00 1.22 0.00 0.00 45 L 8.65 5.10 0.00 1.50 1.55 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.02 4.66 0.00 1.52 1.58 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.59 0.00 1.92 1.99 0.00 3.80 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 2.02 2.09 0.00 48 G 8.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 5.05 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 51 S 9.15 4.77 0.00 3.82 3.38 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 52 L 8.01 5.28 0.00 1.33 1.46 0.86 0.74 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 53 Y 9.04 4.80 0.00 2.83 2.80 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 54 Y 8.94 5.19 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.65 4.36 0.00 2.41 2.13 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 56 E 9.40 3.63 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 57 G 8.57 3.54 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 0.00 0.00 0.00 58 K 7.24 4.72 0.00 1.35 1.61 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.24 7.81 59 L 9.00 4.59 0.00 1.83 1.72 1.01 0.91 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 60 E 9.89 4.94 0.00 2.02 1.82 0.00 0.00 0.00 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 2.34 0.00 61 Q 8.56 4.96 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 62 E 9.41 4.78 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 63 Y 8.44 5.16 0.00 2.94 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 64 E 9.65 5.01 0.00 1.94 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 2.44 2.44 0.00 65 V 8.89 4.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 66 Q 8.75 4.55 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 67 M 9.28 5.08 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 68 I 8.87 4.89 1.90 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 1.25 0.81 0.95 0.00 0.00 69 L 9.26 5.12 0.00 1.56 1.58 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.82 4.88 0.00 2.03 1.85 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.57 7.81 71 T 8.80 4.44 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 72 T 8.41 5.12 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 1.20 0.00 0.00 73 V 8.32 3.59 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 1.00 0.00 0.00 74 S 7.67 4.12 0.00 3.86 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 75 H 7.91 4.77 0.00 3.23 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.89 4.02 0.00 2.31 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 77 Q 8.03 3.93 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 78 A 7.93 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.08 3.90 0.00 1.94 1.92 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.88 3.72 2.01 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 1.79 0.84 0.92 0.00 0.00 81 D 8.36 4.34 0.00 2.83 2.71 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 82 C 8.27 4.07 0.00 3.11 3.11 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 0.00 0.00 0.00 83 L 7.94 4.01 0.00 1.80 1.77 0.95 1.00 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 84 K 8.35 4.09 0.00 1.89 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 85 S 7.94 4.13 0.00 3.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.66 4.78 0.00 3.14 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.44 4.65 0.00 3.45 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.49 0.00 2.27 2.16 0.00 3.33 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 Y 7.29 4.67 0.00 2.86 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 90 Q 8.82 4.20 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.29 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 91 T 7.37 4.64 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 1.18 0.00 0.00 92 P 0.00 4.57 0.00 2.04 1.55 0.00 3.83 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 1.94 1.82 0.00 93 E 8.73 4.08 0.00 2.19 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 2.43 2.41 0.00 94 L 8.42 5.04 0.00 1.53 1.58 0.99 0.97 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 95 L 8.80 4.81 0.00 1.59 1.52 0.95 0.65 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 96 V 8.53 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 97 L 9.08 4.85 0.00 1.60 1.57 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.80 0.00 2.09 2.07 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 99 V 8.15 4.13 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 0.88 0.00 0.00 0.99 0.00 0.00 100 T 8.45 4.40 4.27 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 0.00 0.00 1.23 0.00 0.00 101 H 7.19 4.48 0.00 3.04 3.21 0.00 6.00 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 0.00 102 G 7.34 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 0.00 103 D 7.93 4.43 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 104 T 8.59 3.89 4.27 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 0.00 0.00 1.24 0.00 0.00 105 D 8.17 4.42 0.00 2.91 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 0.00 106 Y 8.82 4.13 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.40 4.06 0.00 1.91 1.73 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.53 4.11 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.19 3.99 0.00 3.39 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.73 3.14 0.00 1.59 1.73 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.26 4.33 0.00 2.84 2.79 0.00 0.00 6.97 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.97 3.95 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.43 3.76 0.00 3.21 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.00 4.18 0.00 1.67 1.51 0.75 0.77 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 0.00 115 R 7.58 4.15 0.00 1.89 1.76 0.00 3.15 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.