NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7502 8.3493 120.5257 54.4121 42.1957 175.1460 2 T 3.8050 8.7896 114.2382 59.5402 69.7291 172.6541 3 P 4.1928 0.0000 0.0000 64.2859 32.4207 178.5633 4 A 4.1959 7.2311 121.1669 52.5475 19.1029 177.2717 5 N 4.9516 8.2235 117.8174 52.0562 38.6639 174.2412 6 C 4.6750 8.7792 120.0230 55.8597 42.2577 173.2879 7 T 4.6312 8.1718 112.2267 59.9356 72.6317 174.5484 8 Y 4.3717 8.5334 121.4299 60.9069 38.3409 177.9259 9 L 4.0286 8.1572 119.5018 57.9478 41.5760 178.7766 10 D 4.3919 8.0471 117.8918 57.4616 40.7688 178.4404 11 L 4.5441 7.6690 119.7372 56.6183 42.6652 177.4566 12 L 4.0328 6.8544 117.8481 55.1193 42.8131 176.3537 13 G 3.6600 7.6885 108.1925 44.7719 0.0000 172.1726 14 T 4.6386 8.2913 118.7111 61.6854 70.7344 173.8130 15 W 4.6028 8.4804 126.7408 54.5327 32.4843 174.9745 16 V 4.3729 8.3623 123.2451 61.0347 33.6853 174.0504 17 F 5.8117 8.8599 127.2303 56.1266 41.3406 174.5330 18 Q 5.0340 9.2194 123.5018 54.5696 30.6708 174.7592 19 V 5.0493 9.1836 124.7173 61.1884 34.1605 174.6640 20 G 4.4808 8.9519 114.0687 44.7880 0.0000 171.8209 21 S 4.0921 8.6284 111.9790 59.5632 59.6985 171.6883 22 S 4.2867 8.1824 113.8683 58.4124 63.0445 173.1489 23 G 3.9746 8.6370 107.7009 46.4051 0.0000 173.9660 24 S 4.5298 7.8695 116.6645 57.6283 64.3629 172.6935 25 Q 4.8354 7.9767 119.9566 53.8345 31.0900 176.9143 26 R 2.0000 7.7830 114.4094 58.2051 29.1936 177.0840 27 D 4.4610 7.5301 116.4233 52.9437 39.6702 176.6202 28 V 3.4822 7.1771 119.8692 62.5648 31.5664 175.3525 29 N 4.8328 8.5582 121.2414 52.1877 39.1136 175.9026 30 C 4.3479 8.7906 124.8184 59.3534 40.6090 176.0592 31 S 4.0613 7.8609 112.3796 59.9255 62.7493 175.0033 32 V 4.2555 7.1456 114.7882 61.1648 31.7905 175.5663 33 M 4.1945 7.9034 121.0620 55.6144 33.5789 174.9376 34 G 3.6934 8.9485 116.8712 45.3005 0.0000 173.6168 35 P 4.3710 0.0000 0.0000 62.4395 32.4021 176.4822 36 Q 4.5324 8.5330 122.5366 55.2197 29.7323 175.2711 37 E 4.7448 8.8686 119.7773 56.1211 31.9445 175.7697 38 K 4.8334 7.9237 119.7448 54.6972 36.0931 174.5084 39 K 5.2489 8.6146 122.5736 55.1011 35.8778 175.4104 40 V 4.3924 8.8776 121.3516 61.2201 34.9241 174.1128 41 V 4.1940 8.2201 127.5570 61.4507 32.6978 174.9641 42 V 4.1213 7.6494 127.1636 61.0522 34.7943 173.4197 43 Y 4.7508 8.6678 126.0117 56.1291 40.4004 174.4826 44 L 4.9972 8.9088 124.2525 53.0211 44.3752 175.5149 45 Q 5.1448 9.5015 123.2963 53.3610 32.5350 175.7608 46 K 4.7235 9.4978 121.3009 57.2237 32.9208 179.5087 47 L 3.6745 7.5749 117.0363 54.0472 42.6400 178.9343 48 D 3.5939 7.5574 114.6254 53.1505 40.6312 173.6270 49 T 5.0253 8.6063 117.1754 63.4481 70.1893 173.6839 50 A 5.4904 8.9223 128.8996 50.6695 21.6976 175.0462 51 Y 5.4448 9.4302 119.0562 56.0745 42.1963 172.9307 52 D 5.2694 8.9361 118.9100 50.8584 43.5321 175.0379 53 D 4.8731 8.5135 115.3572 53.9716 39.7841 176.9184 54 L 4.6850 7.9886 115.4458 55.4389 43.7807 177.6363 55 G 4.0210 8.3302 106.8696 45.5026 0.0000 173.9928 56 N 4.8807 8.2595 117.4113 52.3623 39.8799 174.2925 57 S 5.3987 8.4281 115.6628 57.1436 67.2113 174.3237 58 G 3.9999 9.1102 112.6265 46.0421 0.0000 171.3887 59 H 6.3000 9.7997 119.5442 53.3947 33.6156 172.6561 60 F 5.6238 8.4821 114.1758 55.8739 41.3123 173.4633 61 T 4.7431 9.1146 113.7911 60.3049 70.9597 173.0136 62 I 4.7204 8.9023 127.0837 61.2599 39.5065 175.5165 63 I 4.3992 9.1004 128.7851 59.9576 38.5933 177.7127 64 Y 3.8786 9.1014 131.6740 58.7730 39.2094 170.9747 65 N 5.3012 9.1705 111.5304 51.4964 38.2130 175.4805 66 Q 4.6555 8.8325 120.6917 57.1901 30.7328 175.6687 67 G 3.5998 7.6058 103.2910 45.8059 0.0000 171.1160 68 F 5.4578 6.7199 112.4333 55.5638 41.8830 172.9506 69 E 5.4093 9.4208 121.1309 54.6513 32.6359 174.4455 70 I 5.1850 9.0993 127.1667 59.5678 40.6180 174.5152 71 V 4.9874 8.9550 127.0822 61.2613 34.0490 174.0739 72 L 4.6672 9.6390 128.6562 54.9347 46.1639 174.5877 73 N 4.4013 9.9366 122.5085 54.7135 36.5233 174.2632 74 D 4.5032 8.4024 112.4017 55.1886 38.6040 172.9347 75 Y 4.9512 7.9231 116.0827 55.9754 41.9770 174.6201 76 K 5.1053 8.8213 121.5488 54.4422 35.4470 175.0820 77 W 4.9962 9.4286 124.7982 54.8642 32.0125 174.6927 78 F 5.5982 9.6601 125.2081 55.9723 42.9234 172.9667 79 A 3.6076 6.5367 124.2946 50.1921 22.4986 175.4213 80 F 4.6335 7.6664 118.6115 56.8807 40.4759 175.4563 81 F 4.9757 8.5576 121.0854 57.7296 39.7760 175.0364 82 K 4.5034 9.2573 123.7401 56.6004 33.2028 175.3457 83 Y 5.1200 7.9905 123.6158 56.2773 41.0444 173.0202 84 K 4.2615 9.6339 116.8942 57.2348 35.4518 175.8071 *89 K 4.1570 7.8040 122.3221 56.4329 33.6629 175.2110 90 V 4.5266 8.2361 124.8107 61.9615 32.8486 174.8607 91 T 4.5841 8.5566 123.8318 62.0524 71.3011 173.1688 92 T 5.0008 8.2895 122.2278 62.1641 71.3699 174.3301 93 Y 4.5882 9.4276 122.6051 56.4160 39.1797 175.6917 94 C 4.5339 8.8112 121.7984 58.2349 38.9555 174.3426 95 N 4.7672 8.2200 117.0350 52.4803 37.4877 173.6200 96 E 5.7057 8.6491 118.0672 55.8509 34.6854 173.9191 97 T 5.2755 8.4740 110.8026 59.9145 71.7135 173.6467 98 M 4.2293 8.4948 122.5303 55.1543 33.1264 176.4840 99 T 3.6052 8.1752 117.0369 64.1134 69.1631 174.3048 100 G 3.2644 7.9963 113.6577 43.6624 0.0000 171.1574 101 W 5.6512 9.1069 119.1065 54.7195 32.2508 175.6668 102 V 4.7507 8.9886 124.2977 60.0516 33.8138 174.3198 103 H 5.2521 8.3496 118.5157 53.8907 32.1954 172.5746 104 D 4.0282 8.3126 119.1672 52.8852 40.0432 177.8935 105 V 3.5250 7.9175 112.6714 64.0284 31.5728 177.9448 106 L 4.0445 7.8399 118.2141 55.4917 41.8516 177.8575 107 G 3.8736 8.2015 106.4463 45.7749 0.0000 175.0404 108 R 4.1381 8.1521 118.7100 58.1719 30.8194 175.9809 109 N 5.3290 9.1844 114.9302 51.6977 40.7890 173.9608 110 W 5.4160 9.2462 123.0735 55.3518 33.2917 174.1079 111 A 5.1073 8.7457 121.2863 52.8194 22.8553 174.5353 112 C 5.5141 9.1015 116.9289 55.6364 39.3781 173.4345 113 F 5.6591 8.5201 115.3711 56.0098 41.6349 173.0458 114 T 4.6204 9.1103 109.3561 59.8004 72.1492 172.9468 115 G 5.2286 9.2433 110.7167 44.8174 0.0000 172.1931 116 K 5.2249 9.0797 121.1244 54.1988 36.4337 175.4280 117 K 3.2895 8.1464 127.5599 55.5649 32.5522 176.9792 118 V 3.5551 7.3512 126.3379 62.6620 33.5668 169.5892 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 D 8.35 4.75 0.00 2.65 2.69 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 2 T 8.79 3.81 3.25 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 0.63 0.00 0.00 3 P 0.00 4.19 0.00 1.85 2.04 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 4 A 7.23 4.20 1.46 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 0.00 0.00 0.00 5 N 8.22 4.95 0.00 2.60 2.66 0.00 0.00 7.02 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 6 C 8.78 4.68 0.00 2.36 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 7 T 8.17 4.63 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 1.21 0.00 0.00 8 Y 8.53 4.37 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 9 L 8.16 4.03 0.00 1.78 1.74 0.98 1.23 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 10 D 8.05 4.39 0.00 2.77 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 11 L 7.67 4.54 0.00 1.92 1.92 0.51 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 12 L 6.85 4.03 0.00 1.62 1.53 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.29 4.64 4.04 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 0.00 0.00 0.00 0.91 0.00 0.00 15 W 8.48 4.60 0.00 2.47 2.29 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 16 V 8.36 4.37 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 0.92 0.00 0.00 0.74 0.00 0.00 17 F 8.86 5.81 0.00 2.57 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 18 Q 9.22 5.03 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 19 V 9.18 5.05 2.17 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 1.10 0.00 0.00 1.20 0.00 0.00 20 G 8.95 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.63 4.09 0.00 4.12 4.04 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 0.00 0.00 0.00 0.00 22 S 8.18 4.29 0.00 3.84 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 23 G 8.64 3.97 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 0.00 24 S 7.87 4.53 0.00 4.07 3.86 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 0.00 0.00 0.00 25 Q 7.98 4.84 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 26 R 7.78 2.00 0.00 0.69 1.38 0.00 2.84 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 27 D 7.53 4.46 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.18 3.48 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 0.92 0.00 0.00 1.01 0.00 0.00 29 N 8.56 4.83 0.00 2.75 2.77 0.00 0.00 7.21 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 30 C 8.79 4.35 0.00 2.67 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 31 S 7.86 4.06 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.15 4.26 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 0.68 0.00 0.00 1.02 0.00 0.00 33 M 7.90 4.19 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 34 G 8.95 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 0.00 0.00 0.00 35 P 0.00 4.37 0.00 2.35 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 36 Q 8.53 4.53 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 37 E 8.87 4.74 0.00 1.82 1.96 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 2.24 2.37 0.00 38 K 7.92 4.83 0.00 1.84 1.60 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.54 7.81 39 K 8.61 5.25 0.00 1.76 1.74 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.35 7.81 40 V 8.88 4.39 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 0.91 0.00 0.00 1.13 0.00 0.00 41 V 8.22 4.19 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 0.23 0.00 0.00 0.76 0.00 0.00 42 V 7.65 4.12 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 0.73 0.00 0.00 0.44 0.00 0.00 43 Y 8.67 4.75 0.00 1.91 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 44 L 8.91 5.00 0.00 1.08 0.23 0.09 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.50 5.14 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 46 K 9.50 4.72 0.00 2.21 2.04 0.00 1.31 0.00 0.00 2.45 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.55 7.81 47 L 7.57 3.67 0.00 1.74 1.91 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.56 3.59 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 5.03 4.53 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 1.31 0.00 0.00 50 A 8.92 5.49 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 51 Y 9.43 5.44 0.00 3.27 3.08 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 52 D 8.94 5.27 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 53 D 8.51 4.87 0.00 2.89 3.05 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 0.00 0.00 0.00 54 L 7.99 4.69 0.00 1.75 1.68 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.33 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 0.00 0.00 0.00 56 N 8.26 4.88 0.00 3.14 2.89 0.00 0.00 6.71 7.11 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 57 S 8.43 5.40 0.00 3.84 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 58 G 9.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.80 6.30 0.00 3.15 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.48 5.62 0.00 3.15 3.03 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 0.00 0.00 0.00 61 T 9.11 4.74 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 1.32 0.00 0.00 62 I 8.90 4.72 2.32 0.00 0.00 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 1.84 1.57 1.27 0.00 0.00 63 I 9.10 4.40 2.05 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 1.19 0.82 1.04 0.00 0.00 64 Y 9.10 3.88 0.00 3.03 2.33 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 65 N 9.17 5.30 0.00 3.12 2.58 0.00 0.00 6.63 7.40 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 66 Q 8.83 4.66 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 67 G 7.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.72 5.46 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 69 E 9.42 5.41 0.00 2.11 1.90 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 2.30 2.46 0.00 70 I 9.10 5.19 2.12 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 1.06 0.00 0.00 71 V 8.95 4.99 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 1.07 0.00 0.00 1.00 0.00 0.00 72 L 9.64 4.67 0.00 1.94 1.73 1.06 0.63 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 73 N 9.94 4.40 0.00 3.09 3.02 0.00 0.00 7.09 8.06 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 74 D 8.40 4.50 0.00 2.88 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 75 Y 7.92 4.95 0.00 2.89 2.33 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 76 K 8.82 5.11 0.00 1.26 1.57 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.24 7.81 77 W 9.43 5.00 0.00 3.15 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 78 F 9.66 5.60 0.00 2.88 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 79 A 6.54 3.61 0.35 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 80 F 7.67 4.63 0.00 3.09 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 81 F 8.56 4.98 0.00 3.19 3.14 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 0.00 0.00 0.00 0.00 82 K 9.26 4.50 0.00 2.08 2.04 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.34 7.81 83 Y 7.99 5.12 0.00 3.06 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 84 K 9.63 4.26 0.00 2.02 1.75 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 *89 K 7.80 4.16 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 90 V 8.24 4.53 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 0.90 0.00 0.00 0.96 0.00 0.00 91 T 8.56 4.58 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 0.72 0.00 0.00 92 T 8.29 5.00 4.18 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 1.28 0.00 0.00 93 Y 9.43 4.59 0.00 2.97 3.10 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 0.00 94 C 8.81 4.53 0.00 2.90 2.92 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 95 N 8.22 4.77 0.00 2.68 2.96 0.00 0.00 6.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.65 5.71 0.00 2.06 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 2.27 2.32 0.00 97 T 8.47 5.28 4.11 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 1.41 0.00 0.00 98 M 8.49 4.23 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.03 0.00 99 T 8.18 3.61 3.89 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 0.00 0.00 0.00 0.85 0.00 0.00 100 G 8.00 3.26 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 0.00 101 W 9.11 5.65 0.00 3.48 3.14 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 0.00 0.00 0.00 0.00 102 V 8.99 4.75 0.99 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 0.42 0.00 0.00 -0.84 0.00 0.00 103 H 8.35 5.25 0.00 2.54 2.20 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.31 4.03 0.00 2.38 1.91 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 0.00 105 V 7.92 3.52 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 0.61 0.00 0.00 0.82 0.00 0.00 106 L 7.84 4.04 0.00 1.74 1.70 0.88 0.91 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 0.00 107 G 8.20 3.87 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 0.00 0.00 0.00 108 R 8.15 4.14 0.00 2.05 2.01 0.00 3.33 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 109 N 9.18 5.33 0.00 2.82 2.86 0.00 0.00 6.96 7.43 0.00 0.00 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 W 9.25 5.42 0.00 3.30 3.22 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 0.00 111 A 8.75 5.11 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 0.00 112 C 9.10 5.51 0.00 2.82 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 0.00 113 F 8.52 5.66 0.00 3.36 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 0.00 114 T 9.11 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 1.07 0.00 0.00 115 G 9.24 5.23 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 0.00 116 K 9.08 5.22 0.00 1.68 1.59 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 117 K 8.15 3.29 0.00 0.79 1.00 0.00 1.45 0.00 0.00 1.16 0.00 0.00 2.46 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.77 0.21 7.81 118 V 7.35 3.56 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 0.59 0.00 0.00 0.72 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.