NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.1893 8.1127 119.0571 55.2813 31.2063 174.2523 7 V 3.5964 7.9498 117.2282 65.1566 31.5410 174.6418 8 G 4.0276 8.8663 116.9865 44.8889 0.0000 173.0603 9 E 4.3731 8.1539 118.3678 56.2281 31.1655 176.0829 10 R 5.3463 8.6152 119.8426 54.4822 33.5084 174.5744 11 F 5.0528 9.5657 125.6661 56.7491 42.1836 174.0176 12 T 5.1306 7.5537 121.2320 61.4373 71.5895 173.5228 13 H 4.3391 8.0579 123.3561 55.3468 32.9334 171.8222 14 D 5.2456 8.2637 125.4405 52.9853 43.6745 176.3012 15 F 4.4842 8.3940 123.1208 57.2710 42.7634 173.3742 16 V 3.8213 7.8335 127.6920 62.3568 32.0999 175.6217 17 V 3.2890 8.3106 129.8929 62.2088 32.4133 174.0224 18 P 4.7487 0.0000 0.0000 60.7159 32.7868 174.9622 19 P 4.2148 0.0000 0.0000 65.9109 31.2655 177.6240 20 H 4.2318 7.8706 111.1069 55.4120 28.5962 175.3419 21 K 3.7162 7.7669 118.3907 56.4968 32.4527 176.4174 22 T 5.4559 7.2994 109.8978 59.6912 70.6578 175.7912 23 V 3.3679 8.6081 121.0594 66.0287 31.1045 178.2335 24 R 4.1554 8.0509 115.0817 58.8271 29.4475 177.7672 25 H 4.5312 8.0785 115.0931 57.4597 29.4393 176.5721 26 L 3.8746 8.0474 120.7110 57.6298 42.0809 176.9042 27 Y 4.9109 7.5412 117.5619 53.8729 38.1915 174.0782 28 P 4.5824 0.0000 0.0000 64.1044 31.9154 177.2339 29 E 4.2230 8.3014 114.8871 56.4452 30.1065 175.4883 30 S 4.6333 7.9023 115.6467 56.2801 62.7224 171.9179 31 P 4.4603 0.0000 0.0000 65.5583 31.3796 178.8652 32 E 4.1229 8.0593 116.4394 58.6294 29.7246 177.5635 33 F 5.1058 7.9206 116.1175 58.1685 39.8045 177.6745 34 A 4.2317 7.9812 122.9534 54.2310 18.2410 177.9349 35 E 4.6881 8.1940 113.1327 56.0095 30.1748 176.2355 36 F 4.1852 8.2561 118.6146 56.2567 39.5373 173.5834 37 P 4.4151 0.0000 0.0000 63.4179 31.5275 177.1339 38 E 4.4525 8.4821 120.5897 55.7343 27.9496 176.0982 39 V 4.8416 7.4258 114.1940 58.6543 36.8720 174.7372 40 F 4.9845 9.5157 125.6748 59.3104 39.4855 174.9644 41 A 4.1578 8.7168 127.8579 51.8137 19.1072 178.3880 42 T 3.6434 8.6829 117.8969 66.6749 69.1903 176.2046 43 G 3.5586 7.8632 109.7932 48.5968 0.0000 175.3091 44 F 4.6842 7.2113 117.9350 57.7465 38.4604 177.7202 *46 V 3.9359 8.0499 121.4852 62.9365 33.0426 176.6967 47 G 3.7725 7.8750 108.2020 48.6250 0.0000 175.8133 48 L 4.5031 8.1108 120.2499 55.3676 41.6970 178.4374 *50 E 4.1286 8.3367 118.1954 55.6136 31.6137 177.9387 51 W 4.2982 8.5506 128.0252 60.4771 30.6114 177.7388 52 A 3.9417 7.9162 120.5308 55.4841 17.6232 179.4366 53 C 3.0393 7.6034 113.2311 62.5013 28.1772 175.8694 54 V 3.6787 7.9103 119.0355 66.1698 31.1182 178.0374 55 R 3.9926 7.8296 116.3730 58.9100 29.8858 179.4525 56 A 3.6537 6.8942 115.5656 52.8149 18.0280 177.9740 *58 A 4.3663 7.9385 125.2549 53.2612 20.3428 178.0670 59 P 4.2420 0.0000 0.0000 64.4587 31.3680 176.4513 60 Y 4.5947 7.7537 113.9575 57.5227 39.0911 175.5522 61 L 4.5599 7.4332 120.3283 53.6860 42.9405 176.7695 62 E 4.2153 8.9988 122.2561 55.1195 30.1571 174.7962 63 P 4.3905 0.0000 0.0000 64.7943 31.7125 177.1178 64 G 4.0188 9.2082 111.3146 45.1292 0.0000 172.4949 65 E 5.0148 7.8485 119.0112 55.1869 31.5428 176.0788 66 G 4.2695 8.7988 108.7698 45.6470 0.0000 171.1142 67 S 5.2130 8.4651 113.3857 57.3455 66.3671 173.3802 68 L 4.7934 8.7429 119.6813 52.4031 45.8627 176.4432 69 G 4.0769 8.8022 109.6067 46.9694 0.0000 173.2695 70 T 4.7362 8.9851 115.1434 62.0277 70.8575 174.3539 71 A 4.6990 7.6176 121.8904 51.0581 22.6308 174.9240 72 I 4.9505 8.2332 119.8307 59.8582 41.4889 174.8112 73 C 4.7279 9.3936 129.4247 58.0627 33.0919 172.4028 74 V 5.1264 8.0472 116.4724 59.3287 35.3569 175.0610 75 T 4.4564 8.5504 113.7610 61.3823 71.2721 173.6703 76 H 5.3338 8.6655 122.0443 55.4004 31.0302 172.3109 77 T 4.6713 9.1792 115.2470 61.3902 70.2465 174.3854 78 A 4.6615 7.9227 123.1619 50.5110 22.3843 174.7179 79 A 4.7868 8.3758 121.4584 50.9175 21.3443 177.0472 80 T 4.6493 8.3809 116.4992 61.0360 71.9813 172.1642 81 P 5.0122 0.0000 0.0000 61.3337 33.3275 174.1400 82 P 4.3248 0.0000 0.0000 63.7417 31.6952 176.0481 83 G 3.9269 8.4771 112.2110 45.8234 0.0000 174.5439 84 L 4.2878 7.4285 118.8271 54.5844 43.6913 176.2387 85 T 4.5854 8.1628 117.9137 62.3091 70.4622 173.8461 86 V 4.3835 8.7719 127.8183 62.0727 33.2677 174.5606 87 T 4.8092 8.6605 125.6073 61.9572 70.6819 173.5807 88 V 4.7715 8.8158 127.4252 61.5279 34.0002 174.3660 89 T 5.0451 9.0779 124.4399 61.7045 71.2067 173.0255 90 A 5.2240 9.2742 128.5902 50.2346 21.6590 174.2971 91 E 5.2372 9.4138 124.5818 54.4191 32.3686 174.8152 92 L 3.4636 8.7376 129.7649 55.2644 42.4344 177.1827 93 R 4.2923 8.6725 126.1506 58.0209 31.5803 176.8033 94 S 4.5110 7.0921 110.1032 57.4438 66.1261 174.5106 95 V 4.5921 8.0282 120.2834 61.5951 34.0069 175.7448 96 E 4.6392 9.5011 127.6250 55.7672 31.7008 175.1943 97 G 3.8085 8.2402 111.3819 45.8238 0.0000 172.2195 98 R 4.2372 7.8690 119.2076 57.3716 31.6364 175.7272 99 R 5.0880 7.6731 118.8180 54.7696 32.2213 175.2838 100 L 5.1090 9.0120 123.9064 52.9546 45.1519 175.5554 101 S 5.2739 8.3431 118.3174 56.5590 66.1481 173.2365 102 W 5.3478 9.2116 123.0222 54.8962 33.3125 174.1696 103 R 4.9902 9.1578 124.3247 55.4411 31.3299 175.3758 104 V 5.0988 9.0621 119.7055 59.8010 35.0596 174.6814 105 S 5.1531 9.0801 117.6962 56.9094 66.3160 172.4618 106 A 5.3986 9.2367 126.6241 50.8114 22.8922 174.6614 107 H 5.3435 9.0711 114.8799 53.7519 32.6164 173.3804 108 D 5.4314 8.6457 117.7790 52.3563 39.4397 176.6867 109 G 4.1141 8.9568 109.9706 45.6521 0.0000 174.4673 110 V 4.1848 7.9138 115.5735 63.9074 33.3812 174.9603 111 D 5.0411 8.7119 118.9969 51.6944 43.9841 175.1037 112 E 4.3782 8.7858 123.0106 56.6457 30.0862 176.4972 113 I 4.4106 8.8115 119.2857 60.4054 39.7447 175.5570 114 G 4.6420 7.7166 112.0990 47.0670 0.0000 171.7607 115 S 5.0663 6.9323 114.0419 56.4696 66.6714 175.8865 116 G 4.2724 7.7487 109.1656 46.6763 0.0000 172.1924 117 T 5.2954 8.5104 114.7253 60.3431 72.6859 172.9194 118 H 5.3747 9.2030 121.6229 55.1739 33.9177 171.8005 119 E 5.3001 9.2414 124.9898 54.7367 32.5630 175.2709 120 R 5.2169 9.3466 121.5171 54.3437 34.9553 173.9688 121 A 5.1882 8.7317 123.0020 49.9092 21.9492 175.9122 122 V 4.2056 8.8759 123.9743 62.8462 32.1502 175.4016 123 I 4.6192 8.9087 121.3317 59.2411 41.2614 173.9455 124 H 4.9417 8.6112 123.4545 55.2956 30.4764 175.9010 125 L 4.0859 9.0695 127.6358 57.8759 41.4691 179.4925 126 E 3.9673 7.8282 118.2155 59.0665 29.6419 178.9594 127 K 3.9287 7.5249 119.2409 59.3090 32.3296 178.4629 128 F 4.1151 8.3856 120.9246 61.5625 39.4670 176.8517 129 N 4.2078 8.4279 115.8425 56.1093 38.2876 177.0327 130 A 3.8922 8.0027 122.1409 55.3257 18.3050 179.6391 131 K 3.7508 7.6102 115.3613 59.7845 32.0539 179.4765 132 V 3.5361 7.4751 118.1604 65.6145 31.3205 178.3697 133 R 4.2949 7.8360 121.8545 59.0668 29.7078 179.2705 134 Q 4.2253 7.9155 119.5126 58.6566 28.0898 179.6922 135 K 4.7243 7.2211 113.4854 57.0997 33.6081 176.4612 136 T 4.0377 7.7218 118.5313 63.0168 68.9970 172.9078 137 P 4.4148 0.0000 0.0000 63.0343 31.6073 175.9683 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 6 R 8.11 4.19 0.00 1.75 1.88 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 7.95 3.60 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 0.91 0.00 0.00 0.84 0.00 0.00 8 G 8.87 4.03 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 0.00 0.00 0.00 9 E 8.15 4.37 0.00 2.13 2.15 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 2.48 2.40 0.00 10 R 8.62 5.35 0.00 1.73 1.90 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 F 9.57 5.05 0.00 3.06 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 12 T 7.55 5.13 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 1.05 0.00 0.00 13 H 8.06 4.34 0.00 2.82 2.89 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.26 5.25 0.00 2.45 2.43 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 0.00 0.00 0.00 0.00 15 F 8.39 4.48 0.00 2.77 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 16 V 7.83 3.82 1.75 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 0.57 0.00 0.00 0.75 0.00 0.00 17 V 8.31 3.29 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 0.80 0.00 0.00 0.28 0.00 0.00 18 P 0.00 4.75 0.00 2.00 1.95 0.00 3.57 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 19 P 0.00 4.21 0.00 2.20 2.16 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 20 H 7.87 4.23 0.00 3.12 3.23 0.00 5.48 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.77 3.72 0.00 1.91 1.98 0.00 1.26 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 0.21 7.81 22 T 7.30 5.46 4.37 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 1.33 0.00 0.00 23 V 8.61 3.37 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 -0.18 0.00 0.00 0.89 0.00 0.00 24 R 8.05 4.16 0.00 2.09 2.43 0.00 3.04 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.52 0.00 25 H 8.08 4.53 0.00 3.61 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.05 3.87 0.00 1.21 1.67 -0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.54 4.91 0.00 3.39 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 28 P 0.00 4.58 0.00 2.08 2.16 0.00 3.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 29 E 8.30 4.22 0.00 2.16 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 0.00 2.55 2.37 0.00 30 S 7.90 4.63 0.00 3.63 4.09 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 31 P 0.00 4.46 0.00 2.21 2.09 0.00 3.59 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 2.09 2.10 0.00 32 E 8.06 4.12 0.00 1.66 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 2.24 2.36 0.00 33 F 7.92 5.11 0.00 3.23 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 34 A 7.98 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.69 0.00 2.03 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 2.27 2.37 0.00 36 F 8.26 4.19 0.00 3.24 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 37 P 0.00 4.42 0.00 2.23 2.08 0.00 3.53 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 2.08 1.95 0.00 38 E 8.48 4.45 0.00 2.03 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 0.00 2.38 2.32 0.00 39 V 7.43 4.84 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 0.93 0.00 0.00 1.09 0.00 0.00 40 F 9.52 4.98 0.00 3.06 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 41 A 8.72 4.16 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 42 T 8.68 3.64 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 1.17 0.00 0.00 43 G 7.86 3.56 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 0.00 0.00 0.00 44 F 7.21 4.68 0.00 2.75 2.83 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 *46 V 8.05 3.94 2.15 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 0.72 0.00 0.00 0.91 0.00 0.00 47 G 7.88 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 0.00 0.00 0.00 48 L 8.11 4.50 0.00 2.06 1.80 0.73 0.93 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 *50 E 8.34 4.13 0.00 2.25 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 2.03 2.42 0.00 51 W 8.55 4.30 0.00 3.43 3.23 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 52 A 7.92 3.94 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 53 C 7.60 3.04 0.00 2.65 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 0.00 0.00 0.00 54 V 7.91 3.68 2.26 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 0.84 0.00 0.00 0.94 0.00 0.00 55 R 7.83 3.99 0.00 1.55 1.55 0.00 2.99 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 56 A 6.89 3.65 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 *58 A 7.94 4.37 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 59 P 0.00 4.24 0.00 1.22 1.81 0.00 3.85 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 1.89 1.97 0.00 60 Y 7.75 4.59 0.00 2.99 2.99 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 61 L 7.43 4.56 0.00 1.67 1.62 1.00 0.87 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 62 E 9.00 4.22 0.00 2.02 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 2.35 2.43 0.00 63 P 0.00 4.39 0.00 2.04 2.03 0.00 3.67 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 2.04 2.11 0.00 64 G 9.21 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 65 E 7.85 5.01 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 2.31 2.26 0.00 66 G 8.80 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 0.00 0.00 0.00 0.00 67 S 8.47 5.21 0.00 3.93 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 68 L 8.74 4.79 0.00 1.46 1.45 0.48 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.80 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 70 T 8.99 4.74 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 1.21 0.00 0.00 71 A 7.62 4.70 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 72 I 8.23 4.95 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.93 0.00 0.00 73 C 9.39 4.73 0.00 3.01 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 74 V 8.05 5.13 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 0.93 0.00 0.00 75 T 8.55 4.46 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 1.24 0.00 0.00 76 H 8.67 5.33 0.00 3.10 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.18 4.67 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 1.25 0.00 0.00 78 A 7.92 4.66 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 79 A 8.38 4.79 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 80 T 8.38 4.65 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 81 P 0.00 5.01 0.00 2.11 2.19 0.00 3.71 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 2.06 2.00 0.00 82 P 0.00 4.32 0.00 2.02 1.95 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 G 8.48 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 84 L 7.43 4.29 0.00 1.65 1.64 0.94 0.58 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 85 T 8.16 4.59 4.14 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 1.09 0.00 0.00 86 V 8.77 4.38 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 1.05 0.00 0.00 0.63 0.00 0.00 87 T 8.66 4.81 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 1.18 0.00 0.00 88 V 8.82 4.77 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 0.97 0.00 0.00 0.98 0.00 0.00 89 T 9.08 5.05 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 1.25 0.00 0.00 90 A 9.27 5.22 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 0.00 0.00 0.00 0.00 0.00 91 E 9.41 5.24 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 2.23 2.27 0.00 92 L 8.74 3.46 0.00 1.17 1.27 -0.25 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.67 4.29 0.00 1.72 1.88 0.00 3.28 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 1.57 1.55 0.00 94 S 7.09 4.51 0.00 3.75 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 95 V 8.03 4.59 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 0.75 0.00 0.00 0.71 0.00 0.00 96 E 9.50 4.64 0.00 1.96 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 2.19 0.00 97 G 8.24 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 0.00 0.00 0.00 98 R 7.87 4.24 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 99 R 7.67 5.09 0.00 2.03 1.80 0.00 3.17 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 100 L 9.01 5.11 0.00 1.56 1.16 0.89 0.52 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 0.00 101 S 8.34 5.27 0.00 3.64 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 0.00 102 W 9.21 5.35 0.00 3.37 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 0.00 103 R 9.16 4.99 0.00 1.93 1.87 0.00 3.07 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 104 V 9.06 5.10 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 0.68 0.00 0.00 1.02 0.00 0.00 105 S 9.08 5.15 0.00 3.89 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 0.00 106 A 9.24 5.40 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 0.00 107 H 9.07 5.34 0.00 3.39 3.37 0.00 5.41 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 0.00 108 D 8.65 5.43 0.00 2.70 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 0.00 109 G 8.96 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 0.00 0.00 0.00 0.00 110 V 7.91 4.18 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 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.71 5.04 0.00 2.68 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 0.00 112 E 8.79 4.38 0.00 1.95 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 2.33 2.50 0.00 113 I 8.81 4.41 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 1.00 0.00 0.00 114 G 7.72 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 0.00 0.00 0.00 0.00 115 S 6.93 5.07 0.00 3.82 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 0.00 116 G 7.75 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 0.00 0.00 0.00 0.00 117 T 8.51 5.30 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 0.00 118 H 9.20 5.37 0.00 3.25 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.24 5.30 0.00 1.98 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 0.00 2.22 2.31 0.00 120 R 9.35 5.22 0.00 1.84 1.86 0.00 3.02 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 121 A 8.73 5.19 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 0.00 122 V 8.88 4.21 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 0.86 0.00 0.00 0.96 0.00 0.00 123 I 8.91 4.62 1.79 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.06 0.72 0.00 0.00 124 H 8.61 4.94 0.00 3.28 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.07 4.09 0.00 1.81 1.74 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.83 3.97 0.00 1.83 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 2.40 2.32 0.00 127 K 7.52 3.93 0.00 1.87 1.98 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 128 F 8.39 4.12 0.00 3.23 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 0.00 129 N 8.43 4.21 0.00 2.78 2.84 0.00 0.00 6.98 7.61 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 0.00 130 A 8.00 3.89 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 0.00 131 K 7.61 3.75 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 132 V 7.48 3.54 1.85 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 0.90 0.00 0.00 0.16 0.00 0.00 133 R 7.84 4.29 0.00 2.04 1.92 0.00 3.16 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 134 Q 7.92 4.23 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 135 K 7.22 4.72 0.00 1.82 1.84 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.31 7.81 136 T 7.72 4.04 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 1.19 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.01 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.