NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4383 8.3344 116.7921 57.9949 64.3743 173.4480 4 K 3.8461 8.7306 124.5656 57.9105 32.2555 175.4542 5 N 4.9240 8.7418 117.1464 51.8632 42.2405 172.4529 6 T 4.7813 8.3193 121.5164 61.6572 71.9555 173.6846 7 I 3.9410 8.5875 127.2613 61.0597 38.3143 174.3061 8 C 5.1860 8.5443 128.0589 57.6252 33.0707 172.6109 9 L 4.8059 9.0346 126.4518 52.6040 44.5702 175.3241 10 W 4.9171 8.7830 133.2890 56.9041 31.8807 174.7923 11 Y 4.9556 9.0682 123.8889 56.5211 42.1909 174.3246 12 D 5.2208 9.1304 121.8312 53.2888 41.1151 176.1742 13 S 4.1379 8.6291 123.0250 59.1114 60.9225 173.0403 14 A 4.5919 8.0058 117.0790 51.0515 20.8364 178.4099 15 A 2.7840 8.5482 122.5464 55.8042 18.2831 180.5211 16 L 3.6522 7.5169 118.1462 57.9884 42.2290 178.4781 17 E 3.7595 7.8278 118.5448 59.1151 29.5155 178.5391 18 A 2.0000 6.8536 120.2481 54.2987 18.1352 179.3237 19 A 2.9266 6.8522 119.1151 55.3165 18.1573 179.9555 20 T 3.6963 7.5633 114.0503 66.6124 68.1852 176.6377 21 F 4.7462 7.8421 123.8031 61.1388 39.3837 176.7917 22 Y 4.3219 7.8433 116.4546 61.1470 37.4524 178.5223 23 A 4.0687 8.0563 121.0127 54.4169 18.8735 178.5439 24 E 4.2168 7.8812 114.4379 57.1481 29.9419 177.6662 25 T 3.7382 6.7898 114.1027 64.8621 69.9247 174.8308 26 F 4.6823 7.5165 118.7067 55.0094 40.4172 174.2782 27 P 4.3704 0.0000 0.0000 63.3034 32.0240 174.9918 28 D 4.3929 8.5498 115.8522 55.6788 39.7407 173.4519 29 S 4.9885 7.5042 111.5878 57.0128 67.2036 173.2206 30 A 4.7393 8.6524 122.5860 51.0638 22.9610 175.4831 31 V 4.2273 8.4443 120.7948 62.5853 31.8736 175.4838 32 L 4.6780 8.9216 127.6579 56.1835 43.7275 176.7607 33 A 4.4808 7.4908 116.6247 50.8902 22.4746 175.3443 34 V 4.5522 8.3248 120.2037 61.2757 34.1805 174.3565 35 H 4.9706 9.1541 125.0442 54.1488 31.2837 173.5684 36 R 4.9352 8.6143 121.9536 54.7396 32.0297 176.0862 37 A 4.2151 9.0026 124.9254 51.4161 18.8349 177.1441 38 P 4.2493 0.0000 0.0000 64.6135 31.9939 175.9344 39 G 4.2010 7.5187 106.0637 44.0538 0.0000 172.0784 40 D 4.7061 8.5102 119.4581 54.8335 41.2607 175.6017 41 Y 4.9442 8.7272 119.8254 54.8146 41.4195 173.8629 42 P 4.2609 0.0000 0.0000 65.2935 31.2749 177.4221 43 S 4.5555 6.7044 110.9426 57.2170 63.6427 173.6179 44 G 3.6457 6.3908 106.2830 45.8455 0.0000 174.1084 45 K 4.6957 8.4240 120.9366 54.4606 33.4182 176.2899 46 E 4.2675 8.6742 121.7358 58.5074 29.6666 177.6400 47 G 4.0239 9.0646 115.1635 45.1721 0.0000 173.3980 48 D 4.6385 7.9543 119.6243 53.7609 42.3851 175.9875 49 V 3.8447 8.3201 121.2130 63.7661 31.6184 174.8305 50 L 4.5456 9.3052 130.9380 56.8010 43.2173 175.9886 51 T 5.2732 7.6897 107.3323 59.7951 73.0242 172.1732 52 V 4.8002 8.6586 121.9095 61.2271 34.7843 174.2303 53 E 4.9411 9.1432 128.4771 56.1103 30.7550 175.8837 54 F 5.4434 8.8373 118.2211 55.6732 42.4649 172.9717 55 R 4.9490 9.4598 119.2176 54.2785 33.3866 175.6436 56 V 5.0490 7.9195 119.5981 60.3914 32.8102 177.6845 *58 G 3.8728 8.4325 109.2217 44.8240 0.0000 173.2185 59 I 4.5261 7.4351 122.2570 58.7593 39.3145 173.2590 60 P 4.7624 0.0000 0.0000 62.8216 32.7913 175.1245 61 C 5.1978 8.8457 120.3250 57.7328 33.0372 172.6091 62 L 5.1472 8.9139 122.3049 53.4468 45.1553 175.2050 63 G 4.6276 9.6147 114.5250 45.0976 0.0000 171.9710 64 L 4.9740 9.0485 128.0844 53.3878 44.3763 175.4794 65 N 4.8348 9.1578 125.6103 52.7448 36.9852 175.0294 66 G 3.1237 8.4463 107.7514 45.1084 0.0000 172.0352 67 G 4.2820 8.2163 109.0854 43.9743 0.0000 171.9970 68 P 4.7194 0.0000 0.0000 63.0281 31.2608 177.9297 69 A 3.7165 8.2333 123.9858 54.6214 18.4271 178.5821 70 F 4.7936 6.8126 109.3379 55.5200 42.3492 174.5913 71 R 4.7070 8.1932 121.6616 54.4683 32.8336 175.7901 72 H 4.5202 8.5560 118.0897 56.0910 29.7873 174.4971 73 S 4.6832 8.1118 114.7534 57.3918 65.5771 174.5362 74 E 4.4424 8.7674 118.3207 57.7786 29.1946 178.0942 75 A 4.1606 7.7386 122.6215 54.1666 18.6074 177.6862 76 F 4.8765 7.8812 116.2292 56.4310 41.8519 174.1776 77 S 3.8126 6.7280 119.4344 56.8382 65.8625 173.2136 78 F 4.2362 7.4775 120.1566 56.4174 40.3423 174.5701 79 Q 4.6938 8.5246 125.0617 54.5160 30.3606 174.5162 80 V 4.3187 8.9054 127.9415 61.2154 33.3594 174.4386 81 A 4.9022 8.6826 130.8033 51.7459 19.1090 176.3671 82 T 4.8498 8.6110 113.0331 60.3888 71.4712 175.0817 83 D 4.6101 8.7023 121.9698 55.2086 42.2977 175.7126 84 D 4.5141 7.2807 116.7365 51.4887 41.8616 175.6530 85 Q 3.9450 8.5836 118.4456 59.1752 28.8896 177.8181 86 A 3.9756 7.9265 121.5456 55.1595 18.5187 179.1026 87 E 3.9020 8.5625 117.7926 59.5179 29.7330 178.9128 88 T 3.9155 7.7627 115.4013 67.0048 68.5101 176.2257 89 D 4.4126 8.4714 120.9399 57.2273 40.8242 178.8305 90 R 3.8763 8.0653 119.1451 59.5674 30.1333 178.6835 91 L 3.8131 7.9968 118.7101 57.2456 41.6075 179.1491 92 W 4.1126 8.3447 128.3197 60.7493 30.6341 177.6838 93 N 4.4095 8.7972 116.4559 56.2437 37.8861 177.2619 94 A 4.0039 7.9319 121.9849 55.2803 18.0699 179.7929 95 I 3.8003 7.5868 118.2771 64.6432 37.2994 178.9891 96 V 3.4236 7.6531 119.1140 65.9716 31.0938 177.7421 97 D 4.4085 8.2377 117.9137 55.9875 42.0763 177.3394 98 N 4.5155 7.6288 119.6280 52.1466 35.1548 174.6220 99 G 3.6652 7.4753 106.5035 46.2890 0.0000 172.0628 100 G 4.2449 7.3134 107.5664 43.8258 0.0000 173.3295 101 E 4.8860 8.7112 117.7403 54.4379 33.8008 175.6428 102 E 4.2459 8.7659 122.3015 56.5576 30.2852 176.7211 103 S 4.5008 8.8131 115.8489 57.5433 64.9714 172.4534 104 A 4.6916 8.6381 120.1520 52.0201 20.8169 176.5436 105 C 4.1176 9.7291 115.4040 60.9441 25.8076 174.8331 106 G 4.1491 8.8217 108.3073 45.0517 0.0000 173.7913 107 W 5.1445 8.6902 121.0128 56.7990 30.7243 175.3640 108 C 5.2565 9.5726 118.0020 57.1832 33.4604 172.2696 109 R 5.3493 8.8111 118.2728 54.8383 33.3073 174.9837 110 D 5.1886 9.4719 126.4525 51.9118 41.1081 177.1522 111 K 3.9358 7.7437 116.7527 58.1415 32.4200 177.5599 112 W 4.6303 8.3180 118.0442 56.5846 29.3854 176.8774 113 G 4.1171 8.5735 107.4121 45.0860 0.0000 173.7541 114 I 4.1947 8.4013 121.4523 60.9989 38.7939 175.2981 115 S 5.1208 8.7017 122.4640 57.8490 64.5654 173.0944 116 W 5.1329 9.3301 123.8369 54.9312 32.9656 174.2847 117 Q 4.9043 9.2912 123.0894 54.3826 30.5357 174.8661 118 I 4.6688 8.9874 126.7343 60.3011 37.9040 175.4235 119 T 4.5084 8.8688 125.0496 60.6227 71.0289 172.0220 120 P 4.7822 0.0000 0.0000 62.1677 32.0725 178.1411 121 R 3.8941 8.9872 123.1335 59.3128 29.9521 179.4309 122 V 3.4654 7.8292 117.6139 66.0398 31.3531 177.7825 123 L 3.8788 7.7043 119.5421 58.3195 41.8826 179.0614 124 S 4.1680 7.9777 114.6242 61.7357 62.5893 176.4551 125 E 3.9386 8.2848 120.4036 59.1073 29.3754 178.9654 126 A 3.6297 7.8137 120.9586 55.1597 18.2246 179.8451 127 I 3.9492 7.8066 116.9152 63.5825 37.1806 177.4806 128 A 4.5991 7.3141 119.5432 50.9323 19.4583 176.9790 129 S 4.3435 7.5257 113.8975 58.2130 63.1415 172.7945 130 P 4.3486 0.0000 0.0000 65.4164 31.5709 177.1617 131 D 4.5571 7.9152 118.5632 53.9608 39.4861 176.0824 132 R 3.9331 8.2593 125.6693 58.7106 30.4357 177.5516 133 A 3.9851 7.9297 120.2164 54.9468 18.4903 179.2948 134 A 3.7593 8.1697 119.0999 54.9704 18.2707 179.7925 135 A 4.6176 8.1734 120.8538 54.9112 18.4136 179.7623 136 R 3.9011 7.9768 117.0704 59.6764 30.1398 178.9574 137 R 3.9524 8.0957 117.6124 59.2367 29.8535 178.9026 138 A 4.1172 7.9873 119.4836 55.0881 18.4794 179.1084 139 F 4.1348 8.3109 118.1709 61.6329 39.5885 176.9528 140 E 4.3933 8.6195 117.1007 58.4275 30.0978 178.2136 141 A 4.2009 7.6662 121.3685 51.9507 16.9135 177.5161 *144 T 4.0016 8.0283 117.9853 61.3946 71.3043 176.6794 *146 G 3.9010 8.0852 109.5206 46.4166 0.0000 174.0643 147 R 2.5907 7.7926 117.3093 55.3175 31.2980 175.5761 148 I 3.7095 7.7288 125.9578 60.9690 38.0334 175.4349 149 D 4.7676 8.3483 124.7304 52.7397 42.0043 176.7521 150 I 3.6597 8.9121 129.7310 64.3915 37.2497 178.2295 151 A 4.2649 7.8715 122.3576 55.0315 18.2146 179.7148 152 T 3.8654 8.0946 114.0141 66.7648 68.5093 177.0674 153 I 3.7705 7.6590 121.3271 64.4849 36.8182 178.3765 154 E 4.0630 8.3810 119.4976 59.1524 29.0318 179.3593 155 K 4.0546 7.9213 118.6775 59.3710 32.3784 178.4763 156 A 4.1592 7.8779 120.0715 55.1841 18.3974 179.0525 157 F 4.1879 8.2283 118.1540 61.1075 39.5609 175.4841 158 K 4.1978 8.1014 122.7560 56.6703 32.1961 176.1565 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 S 8.33 4.44 0.00 3.85 3.85 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 4 K 8.73 3.85 0.00 1.76 1.83 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.54 7.81 5 N 8.74 4.92 0.00 2.62 2.62 0.00 0.00 6.75 7.70 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 6 T 8.32 4.78 4.20 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 1.16 0.00 0.00 7 I 8.59 3.94 1.87 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 0.39 0.71 0.00 0.00 8 C 8.54 5.19 0.00 2.93 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 9 L 9.03 4.81 0.00 1.89 1.47 1.34 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 W 8.78 4.92 0.00 3.42 2.84 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 11 Y 9.07 4.96 0.00 3.02 2.86 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 12 D 9.13 5.22 0.00 3.01 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 13 S 8.63 4.14 0.00 4.09 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 14 A 8.01 4.59 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 15 A 8.55 2.78 1.22 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 0.00 0.00 16 L 7.52 3.65 0.00 1.65 1.54 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.83 3.76 0.00 2.03 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 2.55 2.45 0.00 18 A 6.85 2.00 -0.60 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 19 A 6.85 2.93 0.79 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 0.00 0.00 20 T 7.56 3.70 4.28 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 1.17 0.00 0.00 21 F 7.84 4.75 0.00 3.18 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 22 Y 7.84 4.32 0.00 3.11 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 23 A 8.06 4.07 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 24 E 7.88 4.22 0.00 2.08 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 0.00 2.20 2.16 0.00 25 T 6.79 3.74 3.35 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 0.05 0.00 0.00 26 F 7.52 4.68 0.00 2.98 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 27 P 0.00 4.37 0.00 2.20 2.07 0.00 4.10 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 2.04 1.99 0.00 28 D 8.55 4.39 0.00 2.75 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 29 S 7.50 4.99 0.00 4.09 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 30 A 8.65 4.74 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 31 V 8.44 4.23 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 0.81 0.00 0.00 0.86 0.00 0.00 32 L 8.92 4.68 0.00 1.66 1.70 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.49 4.48 1.11 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 0.00 0.00 34 V 8.32 4.55 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 0.82 0.00 0.00 0.88 0.00 0.00 35 H 9.15 4.97 0.00 3.05 3.12 0.00 5.66 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 36 R 8.61 4.94 0.00 1.70 1.99 0.00 3.21 0.00 0.00 3.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 37 A 9.00 4.22 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 38 P 0.00 4.25 0.00 2.18 2.17 0.00 3.70 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 1.95 1.92 0.00 39 G 7.52 4.20 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 0.00 0.00 0.00 40 D 8.51 4.71 0.00 2.72 2.64 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 0.00 41 Y 8.73 4.94 0.00 3.13 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 42 P 0.00 4.26 0.00 2.15 2.23 0.00 3.97 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 43 S 6.70 4.56 0.00 3.87 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 44 G 6.39 3.65 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 0.00 0.00 0.00 45 K 8.42 4.70 0.00 1.84 1.73 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.33 7.81 46 E 8.67 4.27 0.00 1.97 1.92 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 2.35 2.46 0.00 47 G 9.06 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 48 D 7.95 4.64 0.00 2.86 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 49 V 8.32 3.84 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 0.70 0.00 0.00 0.91 0.00 0.00 50 L 9.31 4.55 0.00 1.75 1.72 0.30 0.21 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 51 T 7.69 5.27 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 1.15 0.00 0.00 52 V 8.66 4.80 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 1.11 0.00 0.00 0.89 0.00 0.00 53 E 9.14 4.94 0.00 2.02 1.88 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 2.36 2.36 0.00 54 F 8.84 5.44 0.00 3.33 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 55 R 9.46 4.95 0.00 1.86 1.81 0.00 3.03 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 56 V 7.92 5.05 1.81 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 1.20 0.00 0.00 0.64 0.00 0.00 *58 G 8.43 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 59 I 7.44 4.53 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 1.01 0.00 0.00 60 P 0.00 4.76 0.00 2.06 2.14 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 61 C 8.85 5.20 0.00 1.23 1.93 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 62 L 8.91 5.15 0.00 1.62 1.44 0.94 1.07 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 63 G 9.61 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.05 4.97 0.00 1.67 1.39 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.16 4.83 0.00 2.91 2.85 0.00 0.00 6.92 8.03 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 66 G 8.45 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.22 4.28 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 0.00 68 P 0.00 4.72 0.00 2.25 2.33 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 69 A 8.23 3.72 0.73 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 0.00 0.00 70 F 6.81 4.79 0.00 1.92 2.36 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 71 R 8.19 4.71 0.00 1.76 1.83 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 72 H 8.56 4.52 0.00 3.36 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.11 4.68 0.00 3.99 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 74 E 8.77 4.44 0.00 1.94 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 0.00 2.06 2.62 0.00 75 A 7.74 4.16 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 76 F 7.88 4.88 0.00 2.89 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 77 S 6.73 3.81 0.00 3.27 3.40 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 78 F 7.48 4.24 0.00 2.07 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.69 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 80 V 8.91 4.32 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 1.04 0.00 0.00 1.03 0.00 0.00 81 A 8.68 4.90 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 82 T 8.61 4.85 4.26 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 1.27 0.00 0.00 83 D 8.70 4.61 0.00 2.72 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 84 D 7.28 4.51 0.00 2.84 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 85 Q 8.58 3.95 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 86 A 7.93 3.98 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 87 E 8.56 3.90 0.00 2.07 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 2.34 2.36 0.00 88 T 7.76 3.92 4.40 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 1.21 0.00 0.00 89 D 8.47 4.41 0.00 2.66 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 90 R 8.07 3.88 0.00 2.04 2.05 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 91 L 8.00 3.81 0.00 1.84 1.74 1.08 0.45 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 92 W 8.34 4.11 0.00 3.58 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 93 N 8.80 4.41 0.00 2.90 3.05 0.00 0.00 6.99 7.94 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 94 A 7.93 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.59 3.80 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.96 0.00 0.00 96 V 7.65 3.42 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 0.94 0.00 0.00 0.02 0.00 0.00 97 D 8.24 4.41 0.00 2.77 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 98 N 7.63 4.52 0.00 2.42 2.17 0.00 0.00 7.17 9.28 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 99 G 7.48 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 0.00 100 G 7.31 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 0.00 0.00 0.00 0.00 101 E 8.71 4.89 0.00 1.83 1.78 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 2.19 2.41 0.00 102 E 8.77 4.25 0.00 2.00 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 2.38 2.37 0.00 103 S 8.81 4.50 0.00 3.95 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 0.00 104 A 8.64 4.69 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 0.00 105 C 9.73 4.12 0.00 3.28 3.04 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 0.00 106 G 8.82 4.15 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 0.00 107 W 8.69 5.14 0.00 3.49 3.29 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 0.00 108 C 9.57 5.26 0.00 2.55 1.92 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 0.00 109 R 8.81 5.35 0.00 1.96 1.80 0.00 3.15 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 110 D 9.47 5.19 0.00 3.33 3.33 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 0.00 111 K 7.74 3.94 0.00 1.31 1.57 0.00 0.64 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 112 W 8.32 4.63 0.00 4.06 3.59 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 0.00 113 G 8.57 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.40 4.19 2.69 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.51 0.91 0.00 0.00 115 S 8.70 5.12 0.00 4.01 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 0.00 116 W 9.33 5.13 0.00 3.31 3.15 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 0.00 117 Q 9.29 4.90 0.00 1.64 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 I 8.99 4.67 2.23 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 1.12 0.00 0.00 119 T 8.87 4.51 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 0.00 120 P 0.00 4.78 0.00 2.04 1.96 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 121 R 8.99 3.89 0.00 1.83 2.16 0.00 3.19 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 122 V 7.83 3.47 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 0.95 0.00 0.00 0.88 0.00 0.00 123 L 7.70 3.88 0.00 1.80 1.82 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.98 4.17 0.00 4.01 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 0.00 125 E 8.28 3.94 0.00 1.86 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 2.31 2.36 0.00 126 A 7.81 3.63 1.14 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 0.00 0.00 127 I 7.81 3.95 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.71 1.12 0.00 0.00 128 A 7.31 4.60 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 0.00 129 S 7.53 4.34 0.00 4.22 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 0.00 130 P 0.00 4.35 0.00 2.24 2.20 0.00 3.91 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 2.04 1.99 0.00 131 D 7.92 4.56 0.00 2.77 2.63 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 0.00 0.00 0.00 132 R 8.26 3.93 0.00 1.96 1.90 0.00 3.26 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 133 A 7.93 3.99 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 0.00 134 A 8.17 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.17 4.62 1.54 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 0.00 136 R 7.98 3.90 0.00 1.96 2.15 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 137 R 8.10 3.95 0.00 2.10 2.12 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 138 A 7.99 4.12 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.31 4.13 0.00 3.23 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 0.00 140 E 8.62 4.39 0.00 2.17 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 0.00 2.72 2.54 0.00 141 A 7.67 4.20 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 *144 T 8.03 4.00 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 1.26 0.00 0.00 *146 G 8.09 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 0.00 147 R 7.79 2.59 0.00 0.67 1.17 0.00 3.17 0.00 0.00 2.62 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.00 148 I 7.73 3.71 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.86 0.00 0.00 149 D 8.35 4.77 0.00 2.70 2.50 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 0.00 150 I 8.91 3.66 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.93 0.00 0.00 151 A 7.87 4.26 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 0.00 152 T 8.09 3.87 4.36 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 1.21 0.00 0.00 153 I 7.66 3.77 2.02 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 1.71 1.02 0.91 0.00 0.00 154 E 8.38 4.06 0.00 2.21 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 2.44 0.00 155 K 7.92 4.05 0.00 1.80 2.01 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 156 A 7.88 4.16 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 0.00 157 F 8.23 4.19 0.00 3.15 3.31 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 0.00 158 K 8.10 4.20 0.00 2.05 1.83 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.