NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.2508 8.1032 118.1538 59.7825 30.3352 172.0461 2 L 4.9562 8.6256 122.7074 52.2965 43.8558 174.7407 3 A 5.5478 8.8432 124.9507 50.9242 20.2521 176.5857 4 E 4.1596 8.8417 117.7249 57.7487 30.1265 177.6365 5 G 3.9899 9.5493 110.3799 45.2976 0.0000 173.9321 6 T 4.2715 7.5752 117.2152 63.6931 69.6393 173.7219 7 R 4.8558 9.8721 126.6636 55.4796 31.9070 175.4939 8 I 4.7031 8.7888 125.4930 59.2431 40.1079 174.7107 9 F 4.6760 8.8803 130.8250 57.9564 40.7143 174.0666 10 D 5.2703 9.6020 127.3895 51.4887 39.8987 174.5714 11 P 3.5026 0.0000 0.0000 65.1544 31.4850 178.4480 12 V 3.6306 7.7863 118.5467 65.5712 31.5754 176.7304 13 T 4.2454 7.9920 107.2927 60.5707 69.0520 176.8070 14 G 4.0789 8.0735 109.6411 46.9715 0.0000 174.6198 15 T 4.1211 7.8262 117.6754 63.9497 69.6637 173.4825 16 T 5.0839 8.5166 122.2060 62.4955 70.2582 173.7864 17 H 4.9639 9.2319 123.2095 54.1765 32.8162 173.4117 18 R 4.7888 8.1817 118.2698 55.3122 31.5393 177.2587 19 I 3.4853 9.1298 125.9109 64.1568 38.0163 177.0043 20 E 2.5400 7.6625 117.7139 59.2222 29.0358 178.7713 21 D 4.1679 7.9291 119.5894 56.7256 40.7282 178.8041 22 V 3.5293 7.4334 118.3718 65.9921 31.5184 177.9576 23 V 3.6238 7.5726 117.6897 66.4369 31.2173 177.2872 24 Y 4.6330 8.1059 115.8296 60.5984 37.7311 178.4086 25 G 3.8758 7.5270 103.0068 43.3353 0.0000 173.8398 26 R 2.0000 7.5092 117.8266 55.8286 27.9605 177.2236 27 K 4.0416 7.6926 118.1595 55.8010 32.7736 178.3056 28 P 4.9941 0.0000 0.0000 62.0092 29.7250 175.1233 29 I 4.4946 7.6659 121.7316 60.7292 41.4587 174.5697 30 H 5.3770 9.0377 117.5844 54.4662 32.9177 173.3261 31 V 4.9852 8.6712 112.4955 59.0477 37.0986 174.2389 32 V 4.7806 8.3378 120.8556 61.8258 32.6623 174.3503 33 A 5.1967 9.5487 129.1555 50.0741 22.5081 174.2058 34 A 5.0408 8.3873 120.9459 49.2107 20.8826 177.2452 35 A 4.2452 8.5189 125.3690 51.3202 19.3011 178.3146 36 K 3.8802 8.7900 121.2272 59.7479 32.1806 177.5198 37 D 4.5173 8.2421 115.3836 52.6151 38.9748 175.3186 38 G 3.9495 8.1146 110.3237 47.0294 0.0000 173.3950 39 T 4.3573 7.4853 119.7849 61.3097 73.2821 172.5241 40 L 4.7375 8.1268 118.0360 54.7651 45.8235 174.0802 41 H 5.0616 10.2106 120.8244 53.8070 33.8074 172.0923 42 A 4.8780 8.5599 121.7077 51.5372 19.6342 177.2596 43 R 4.7754 8.8213 120.9018 53.7260 35.0501 173.1105 44 P 4.4719 0.0000 0.0000 62.5761 33.1089 175.5371 45 V 4.0122 8.1808 122.9519 62.5365 31.0231 176.0269 46 V 3.7265 7.7558 122.3090 62.6005 32.3538 176.6951 47 S 4.0021 7.0302 114.7510 56.0796 67.3153 173.0328 48 W 5.0149 7.7876 119.9269 55.1963 33.3202 174.8134 49 F 4.8968 9.0126 120.0620 56.4337 43.3175 173.4506 50 D 4.9087 8.9543 123.7896 52.7705 39.6769 175.6527 51 Q 4.0216 8.5490 122.7684 56.7116 29.6092 177.3807 52 G 3.9159 7.7197 103.2994 44.6977 0.0000 172.5206 53 T 4.7262 7.8186 115.2004 63.5579 69.0541 174.4384 54 R 4.6230 8.2146 122.7644 55.5439 35.3516 172.6233 55 D 5.1721 8.6495 118.9591 53.6108 42.6992 176.4600 56 V 4.8505 9.1027 117.0097 59.5539 35.4771 175.0731 57 I 4.9865 9.2764 117.7808 59.3317 40.8285 174.4709 58 G 3.2953 8.2639 108.6174 43.8313 0.0000 171.5799 59 L 4.6615 7.9903 125.7412 53.1039 43.5852 175.5852 60 R 4.5987 8.5033 126.0796 55.4743 31.2287 175.5717 61 I 4.4994 8.5944 127.7549 59.6795 39.5320 175.2686 62 A 4.2119 8.3260 127.1599 53.3023 18.0980 177.3127 63 G 3.9776 9.4363 110.8904 45.5588 0.0000 173.8206 64 G 3.6225 8.0250 110.3308 45.6875 0.0000 174.4057 65 A 4.2302 7.9189 121.4634 52.6160 19.8761 177.1662 66 I 4.6447 7.9557 119.4667 60.2024 40.8782 174.7362 67 V 4.0728 8.6577 128.7752 61.3573 33.4152 174.5669 68 W 5.1966 8.7341 127.2562 55.1941 31.3706 174.6549 69 A 5.2732 9.0997 126.1696 50.4785 23.1942 174.8354 70 T 4.7522 9.2735 110.5365 60.3031 69.5543 174.3484 71 P 3.8447 0.0000 0.0000 65.3945 31.1601 176.8240 72 D 4.6312 7.9034 116.1382 53.5488 40.2679 175.7360 73 H 4.2616 8.9594 123.5549 56.0999 31.0089 174.4447 74 K 4.9263 8.7102 125.7606 56.6651 33.3125 176.0228 75 V 4.9797 9.3617 124.9648 60.9048 35.0979 174.0341 76 L 4.0272 8.2764 129.0841 54.7645 43.2568 176.0343 77 T 4.7409 7.8431 115.3348 59.9676 71.8072 174.2547 78 E 3.8193 7.7431 118.7201 56.8662 29.0573 177.1731 79 Y 4.6169 8.2990 116.7937 60.4811 41.8543 174.7436 80 G 3.6651 8.1548 103.5451 43.9229 0.0000 172.9736 81 W 4.6183 6.7701 116.8703 53.0027 28.8468 175.7938 82 R 4.9076 9.2179 121.2768 54.8733 35.3448 173.5619 83 A 5.0111 8.6275 121.7747 51.1864 19.8168 178.0162 84 A 3.8132 9.0206 126.4022 55.6177 18.4014 179.1291 85 G 3.8408 8.4549 103.8232 48.8519 0.0000 175.0093 86 E 4.4163 7.7912 117.9275 55.6190 29.3854 176.5392 87 L 4.8818 7.5155 116.6658 54.0576 46.0829 176.3579 88 R 4.7057 10.3369 120.0977 53.5714 34.2777 174.6244 89 K 4.0557 8.4893 119.9437 58.3930 32.3614 175.0234 90 G 4.1734 8.5904 113.6096 45.8035 0.0000 174.0650 91 D 4.4650 8.0546 118.9362 54.7050 42.2701 176.0126 92 R 5.0727 8.5805 120.2912 54.6257 32.9066 175.4876 93 V 4.8678 8.3456 116.2481 59.2654 34.9849 175.0973 94 A 4.6962 9.2593 126.2898 52.3321 19.6568 177.1496 95 V 4.8160 8.6967 114.0475 59.9205 37.1713 173.9677 96 R 4.7119 8.3324 122.7908 54.7318 31.0301 175.4311 97 D 4.2966 9.1445 127.8800 54.2540 41.5211 177.2928 98 V 3.4165 8.5378 126.3183 65.8444 31.2774 176.1064 99 E 4.0674 7.3725 119.4424 58.5363 29.7708 177.8226 100 T 3.8391 9.0889 116.1694 63.2691 69.5117 176.1608 101 G 3.8329 8.3385 108.7932 45.5255 0.0000 172.6592 102 E 4.4245 7.7242 118.5656 54.4644 32.1672 174.8869 *404 L 4.9172 8.0925 122.2410 55.6791 43.3112 175.9049 405 R 4.1251 7.6639 122.5437 55.3580 35.1067 172.5695 406 Y 5.2326 8.0787 116.2807 56.6949 40.8238 175.7661 407 S 4.8577 8.7313 119.3840 56.5326 66.5178 173.9677 408 V 4.3171 8.1994 122.6692 62.7652 33.1333 174.8851 409 I 4.2671 8.2332 126.8429 61.4757 37.9271 176.9901 410 R 4.1201 9.6753 128.1392 58.4937 30.4353 176.5341 411 E 4.6919 7.8215 114.9423 55.1214 33.1616 173.5038 412 V 4.5526 8.1730 121.4659 61.4166 32.5819 175.4040 413 L 4.4333 9.4731 129.4069 53.6158 42.9647 175.0681 414 P 4.5036 0.0000 0.0000 63.0337 31.9485 176.2838 415 T 4.5781 8.5359 117.5586 62.9468 68.3003 172.9235 416 R 4.7034 8.8871 121.4429 55.3373 33.2930 173.9943 417 R 4.9792 8.6231 118.1968 54.4931 31.7416 176.1163 418 A 4.5438 8.0311 124.2367 51.5093 22.0095 176.2050 419 R 4.2823 8.5340 120.0411 56.7663 31.4303 176.0629 420 T 5.1382 7.8022 110.9746 60.3410 72.6624 172.5668 421 F 5.4206 9.6523 121.2075 56.8476 44.4426 172.7273 422 D 5.2949 9.2222 117.7606 53.5461 45.8420 174.8905 423 L 5.0680 8.3756 119.1392 53.6377 45.5630 175.4415 424 E 4.5466 8.7317 125.0390 55.0964 31.8611 174.8109 425 V 4.4475 7.8046 123.6807 60.5840 34.2596 174.4214 426 E 3.4102 8.1265 128.3625 59.2835 29.4597 176.3784 427 E 3.7126 8.8742 129.6381 57.3430 28.4343 176.4124 428 L 3.7954 8.9574 113.9530 56.9153 42.6031 177.5233 429 H 4.1016 8.2852 112.2772 56.3974 26.3830 174.2636 430 T 5.0530 7.6848 107.3409 60.4885 71.8845 172.2180 431 L 5.0997 8.9960 121.6613 54.2452 44.7428 175.3084 432 V 4.7808 8.2813 119.5171 61.4412 32.5864 174.9567 433 A 4.8898 8.7512 131.2868 51.5308 21.1839 175.5978 434 E 3.9161 9.9247 122.7100 57.4283 27.9216 176.4003 435 G 3.8983 8.2826 105.1585 45.5734 0.0000 173.5131 436 V 4.7536 7.7345 121.0791 60.8386 34.0131 175.0176 437 V 4.2786 8.6907 128.7388 63.2261 32.5249 175.2655 438 V 5.4027 9.2093 120.4256 59.6500 36.8451 175.0212 439 H 4.1391 9.3364 121.2568 56.5724 29.2226 174.9930 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 1 C 8.10 5.25 0.00 2.94 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 2 L 8.63 4.96 0.00 1.72 1.64 0.98 0.38 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 3 A 8.84 5.55 1.39 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 0.00 0.00 0.00 4 E 8.84 4.16 0.00 2.08 2.35 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 2.38 2.38 0.00 5 G 9.55 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 6 T 7.58 4.27 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 1.28 0.00 0.00 7 R 9.87 4.86 0.00 1.87 1.92 0.00 3.10 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 8 I 8.79 4.70 1.92 0.00 0.00 0.90 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 0.78 0.95 0.00 0.00 9 F 8.88 4.68 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.60 5.27 0.00 2.70 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.50 0.00 2.15 2.13 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 12 V 7.79 3.63 2.02 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 0.67 0.00 0.00 0.73 0.00 0.00 13 T 7.99 4.25 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 1.23 0.00 0.00 14 G 8.07 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.83 4.12 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 1.00 0.00 0.00 16 T 8.52 5.08 4.31 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 1.30 0.00 0.00 17 H 9.23 4.96 0.00 3.10 3.20 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 18 R 8.18 4.79 0.00 1.88 2.11 0.00 3.39 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 19 I 9.13 3.49 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.81 0.00 0.00 20 E 7.66 2.54 0.00 1.16 1.18 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 2.03 2.17 0.00 21 D 7.93 4.17 0.00 2.78 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 22 V 7.43 3.53 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 1.23 0.00 0.00 0.93 0.00 0.00 23 V 7.57 3.62 1.80 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 1.33 0.00 0.00 1.06 0.00 0.00 24 Y 8.11 4.63 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.53 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.51 2.00 0.00 1.15 0.66 0.00 2.79 0.00 0.00 2.91 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.29 0.00 27 K 7.69 4.04 0.00 1.63 1.76 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.30 7.81 28 P 0.00 4.99 0.00 2.18 2.26 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 29 I 7.67 4.49 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.79 0.00 0.00 30 H 9.04 5.38 0.00 3.30 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.67 4.99 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 0.92 0.00 0.00 0.92 0.00 0.00 32 V 8.34 4.78 2.19 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 1.04 0.00 0.00 1.10 0.00 0.00 33 A 9.55 5.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 5.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.52 4.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.88 0.00 1.79 1.93 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 37 D 8.24 4.52 0.00 2.85 2.76 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 0.00 0.00 0.00 0.00 38 G 8.11 3.95 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 0.00 0.00 0.00 39 T 7.49 4.36 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 1.38 0.00 0.00 40 L 8.13 4.74 0.00 1.48 1.59 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 H 10.21 5.06 0.00 2.91 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.56 4.88 1.24 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 0.00 0.00 0.00 43 R 8.82 4.78 0.00 1.69 1.71 0.00 3.47 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 44 P 0.00 4.47 0.00 1.96 1.90 0.00 3.61 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 1.95 1.88 0.00 45 V 8.18 4.01 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 0.14 0.00 0.00 0.85 0.00 0.00 46 V 7.76 3.73 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.80 0.00 0.00 47 S 7.03 4.00 0.00 3.52 3.01 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 0.00 0.00 0.00 0.00 48 W 7.79 5.01 0.00 3.11 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 49 F 9.01 4.90 0.00 3.07 2.98 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 0.00 0.00 0.00 50 D 8.95 4.91 0.00 2.95 2.74 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 51 Q 8.55 4.02 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.27 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 52 G 7.72 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 0.00 0.00 0.00 53 T 7.82 4.73 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 1.27 0.00 0.00 54 R 8.21 4.62 0.00 1.71 1.80 0.00 3.09 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 55 D 8.65 5.17 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.10 4.85 2.47 0.00 0.00 0.00 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 1.12 0.00 0.00 57 I 9.28 4.99 1.91 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 1.41 0.83 0.98 0.00 0.00 58 G 8.26 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 0.00 0.00 0.00 59 L 7.99 4.66 0.00 1.47 1.51 0.89 0.77 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 R 8.50 4.60 0.00 1.81 1.85 0.00 3.07 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 61 I 8.59 4.50 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.02 0.92 0.00 0.00 62 A 8.33 4.21 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 63 G 9.44 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.02 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.92 4.23 1.27 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 0.00 0.00 0.00 66 I 7.96 4.64 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.50 0.00 0.00 67 V 8.66 4.07 1.97 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 0.95 0.00 0.00 0.88 0.00 0.00 68 W 8.73 5.20 0.00 3.41 3.16 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 0.00 0.00 0.00 0.00 69 A 9.10 5.27 1.24 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 0.00 0.00 0.00 70 T 9.27 4.75 4.46 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 0.00 0.00 0.00 1.28 0.00 0.00 71 P 0.00 3.84 0.00 2.26 2.43 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 72 D 7.90 4.63 0.00 2.80 2.82 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 0.00 0.00 0.00 73 H 8.96 4.26 0.00 3.46 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.71 4.93 0.00 1.57 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 1.54 7.81 75 V 9.36 4.98 2.18 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 0.99 0.00 0.00 1.09 0.00 0.00 76 L 8.28 4.03 0.00 1.21 1.26 -0.45 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.84 4.74 4.10 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 0.00 0.00 0.00 1.24 0.00 0.00 78 E 7.74 3.82 0.00 1.54 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 79 Y 8.30 4.62 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 80 G 8.15 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 6.77 4.62 0.00 3.36 3.09 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 0.00 0.00 0.00 0.00 82 R 9.22 4.91 0.00 1.84 1.88 0.00 3.55 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 83 A 8.63 5.01 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 84 A 9.02 3.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.42 0.00 2.14 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 2.37 2.43 0.00 87 L 7.52 4.88 0.00 1.83 1.56 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 R 10.34 4.71 0.00 1.88 1.79 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 89 K 8.49 4.06 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.63 7.81 90 G 8.59 4.17 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 0.00 0.00 0.00 91 D 8.05 4.47 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.58 5.07 0.00 1.60 1.80 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 93 V 8.35 4.87 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 0.75 0.00 0.00 0.92 0.00 0.00 94 A 9.26 4.70 1.24 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 0.00 0.00 0.00 95 V 8.70 4.82 2.19 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 0.68 0.00 0.00 0.88 0.00 0.00 96 R 8.33 4.71 0.00 1.83 1.82 0.00 3.35 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 97 D 9.14 4.30 0.00 2.72 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 98 V 8.54 3.42 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 0.68 0.00 0.00 0.84 0.00 0.00 99 E 7.37 4.07 0.00 2.20 1.79 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 2.27 2.20 0.00 100 T 9.09 3.84 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 1.22 0.00 0.00 101 G 8.34 3.83 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 0.00 0.00 0.00 102 E 7.72 4.42 0.00 1.90 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 2.22 2.20 0.00 *404 L 8.09 4.92 0.00 1.59 1.50 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 405 R 7.66 4.13 0.00 1.51 1.60 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 406 Y 8.08 5.23 0.00 2.80 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 0.00 407 S 8.73 4.86 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 V 8.20 4.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 409 I 8.23 4.27 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.10 0.89 0.00 0.00 410 R 9.68 4.12 0.00 1.56 1.95 0.00 3.38 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 411 E 7.82 4.69 0.00 1.98 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 2.25 2.27 0.00 412 V 8.17 4.55 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 0.79 0.00 0.00 0.94 0.00 0.00 413 L 9.47 4.43 0.00 1.52 1.84 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 414 P 0.00 4.50 0.00 2.03 2.06 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 415 T 8.54 4.58 4.31 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 1.26 0.00 0.00 416 R 8.89 4.70 0.00 1.81 1.93 0.00 2.44 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 417 R 8.62 4.98 0.00 1.70 1.88 0.00 3.73 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 418 A 8.03 4.54 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 0.00 419 R 8.53 4.28 0.00 2.05 1.73 0.00 3.46 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 420 T 7.80 5.14 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 1.28 0.00 0.00 421 F 9.65 5.42 0.00 3.01 3.19 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 0.00 422 D 9.22 5.29 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 L 8.38 5.07 0.00 1.50 1.46 0.96 1.03 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 0.00 424 E 8.73 4.55 0.00 2.20 1.74 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 2.29 2.25 0.00 425 V 7.80 4.45 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 0.84 0.00 0.00 0.88 0.00 0.00 426 E 8.13 3.41 0.00 1.87 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 2.30 2.26 0.00 427 E 8.87 3.71 0.00 2.19 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 428 L 8.96 3.80 0.00 1.71 1.77 0.96 1.05 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 0.00 429 H 8.29 4.10 0.00 3.37 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.68 5.05 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 431 L 9.00 5.10 0.00 1.74 1.79 0.97 0.86 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 0.00 432 V 8.28 4.78 2.19 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 0.83 0.00 0.00 1.06 0.00 0.00 433 A 8.75 4.89 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 0.00 434 E 9.92 3.92 0.00 2.11 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 0.00 2.31 2.59 0.00 435 G 8.28 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 V 7.73 4.75 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 1.00 0.00 0.00 0.96 0.00 0.00 437 V 8.69 4.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 438 V 9.21 5.40 2.46 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 0.83 0.00 0.00 1.13 0.00 0.00 439 H 9.34 4.14 0.00 2.42 2.94 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.