NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1819 8.1727 122.0500 56.2560 34.0763 173.8961 2 V 4.6043 8.2164 127.1878 60.7219 32.7121 174.3643 3 F 4.4760 9.8111 128.9010 57.3639 40.3058 175.0871 4 E 4.1997 9.3464 121.3041 55.8278 30.7979 177.0598 5 R 3.4031 9.0440 120.6977 60.9179 30.0096 179.3296 6 C 4.3297 8.0614 115.3655 59.6335 38.8658 175.5765 7 E 3.9172 8.2190 120.6967 59.3635 29.2251 178.5697 8 L 3.5293 7.9196 119.8842 57.8730 42.0812 178.5156 9 A 3.9427 7.8717 120.6787 55.5369 18.2184 179.9400 10 R 3.9301 8.3191 116.6815 59.4593 30.0787 179.4974 11 T 3.8456 7.9111 115.6844 66.6123 68.4979 176.7315 12 L 3.8549 8.1991 121.3064 57.5398 41.6039 179.5238 13 K 3.9241 8.0581 119.5312 59.6857 31.9630 179.1485 14 R 3.9691 8.0283 117.2499 58.8226 30.0235 178.0946 15 L 4.3509 7.5823 116.3067 54.2710 41.8018 177.2003 16 G 3.8690 7.8601 107.0458 46.6947 0.0000 175.0378 17 M 3.8147 7.9167 120.8155 56.5189 32.1855 175.7116 18 D 4.5344 7.8983 117.7596 56.7214 40.7766 175.8131 19 G 3.9829 9.3454 116.1226 44.8854 0.0000 171.2141 20 Y 4.1978 8.1404 121.7581 59.2492 38.9377 176.4667 21 R 3.5817 8.8648 125.9675 57.1791 27.9042 176.7268 22 G 3.8536 8.4812 102.4252 46.2541 0.0000 173.9294 23 I 4.2619 7.9868 121.6866 59.0084 38.7518 175.9482 24 S 4.7232 8.3586 120.5441 57.8639 65.1169 174.8155 25 L 4.1945 8.6011 124.8502 58.6672 41.8311 179.3962 26 A 4.1631 8.1773 120.0583 55.3553 18.3210 179.2344 27 N 4.4798 7.9877 115.0174 56.2872 38.6168 177.7419 28 W 4.1845 8.1300 120.3431 59.9867 29.1104 178.5511 29 M 4.1809 8.5015 118.8416 58.5361 31.3939 177.9707 30 C 3.2016 8.1839 118.6033 59.0995 43.4488 175.2251 31 L 3.9886 7.9854 121.6503 58.4310 41.7310 179.0039 32 A 4.2657 8.1611 121.8140 54.2021 18.2359 179.5263 33 K 3.0387 8.2122 118.4558 59.4815 32.0766 179.2434 34 W 4.1420 7.9850 117.8143 59.3941 29.0150 178.4231 35 E 4.3137 8.4828 118.6938 58.7746 29.2817 177.9044 36 S 4.5442 7.8743 109.7225 56.4770 64.4746 174.2843 37 G 3.3209 8.2505 108.9039 47.1050 0.0000 173.7696 38 Y 3.7208 7.8250 113.1580 58.3814 35.4306 168.3846 39 N 5.2863 7.7369 119.9760 52.0669 39.9872 175.9462 40 T 4.0671 8.8680 116.8544 63.9390 69.1824 176.0647 41 R 4.3378 8.4144 119.8716 56.2978 30.8453 176.4583 42 A 4.2905 7.6589 121.6298 52.9016 19.3395 176.8063 43 T 5.0126 8.3571 110.6294 60.0138 72.4255 172.8766 44 N 4.9231 8.9003 122.2511 52.0982 41.9472 172.4011 45 Y 4.7223 8.7319 127.7551 57.2906 40.8354 173.7645 46 N 4.4148 8.7999 125.2089 51.3182 39.3215 175.4397 47 A 3.6817 8.3222 127.8589 54.9525 18.8867 178.6814 48 G 3.8994 8.1535 103.6731 48.2554 0.0000 173.7339 49 D 4.7162 7.6918 115.0292 51.7756 40.4943 175.6550 50 R 3.9537 8.0549 116.9514 56.7146 27.8550 175.0816 51 S 4.9395 7.2276 110.7124 57.0854 67.8278 174.0099 52 T 5.0431 8.7861 116.2370 61.9294 71.7065 172.8129 53 D 5.5358 9.1124 124.9289 53.0400 43.5221 175.0976 54 Y 4.8519 9.3747 120.2633 57.4419 42.0242 177.5319 55 G 4.2404 9.0406 112.0503 44.6605 0.0000 173.5249 56 I 3.7245 8.1561 116.4713 62.8387 37.7967 177.7460 57 F 4.8936 7.9787 115.3672 56.5060 40.1034 175.1647 58 Q 3.6782 7.8486 119.1987 57.0448 26.3538 173.7063 59 I 4.3412 8.3103 119.5239 60.4756 38.9630 176.1788 60 N 5.2757 8.8688 122.4933 52.6089 39.8457 175.8664 61 S 4.4469 8.9191 118.7458 61.4962 63.2285 176.7502 62 R 3.9902 8.2751 119.0995 59.4586 29.9800 177.1335 63 Y 4.2088 8.3523 114.5853 59.4395 38.1919 174.1306 64 C 4.9607 8.1192 110.4235 54.3873 43.4084 173.9101 65 A 4.2417 8.7593 122.1689 53.8985 20.0866 173.6563 66 N 4.1593 8.1300 123.9976 52.7726 36.7208 172.2240 67 D 4.3537 8.4743 124.8051 54.0039 41.7923 177.0507 68 G 3.9555 8.9407 116.2128 48.5904 0.0000 173.9357 69 K 4.1828 7.8935 119.5234 57.5331 32.6160 176.5438 70 T 4.4464 8.1150 116.1118 60.6964 68.3285 171.4607 71 P 4.8691 0.0000 0.0000 61.1235 34.3190 178.1406 72 G 3.5765 8.4789 105.2021 45.2598 0.0000 171.7120 73 A 3.8213 8.2866 122.2206 53.5852 17.5814 178.0808 74 V 3.6687 7.0247 108.5219 60.7211 32.3985 176.9932 75 N 4.5343 8.7291 122.2737 52.0492 37.1786 174.4067 76 A 4.1479 8.0188 125.7698 51.9949 19.3040 178.1071 77 C 4.5689 8.6859 118.8996 56.9576 41.4286 175.0647 78 H 4.6234 8.3647 122.5358 53.2534 26.7266 173.3518 79 L 4.3405 7.1642 120.5887 55.1525 43.3637 174.9976 80 S 4.6489 8.0088 113.1811 57.0014 64.8197 175.9856 81 C 4.0472 8.3988 118.5317 59.9357 39.6692 176.5868 82 S 3.9266 7.4864 113.3279 61.3487 61.9130 176.4153 83 A 4.1436 7.7352 123.0055 54.8422 17.8437 178.7670 84 L 4.4116 7.4804 114.8154 55.6270 41.8508 177.3692 85 L 5.3852 7.4972 117.1852 53.5764 42.8030 176.8878 86 Q 4.2562 7.5324 117.0119 55.5567 29.2904 176.1165 87 D 4.3966 8.7317 120.6414 57.2032 41.0387 176.7435 88 N 4.6711 7.9952 117.9140 52.8384 39.3506 174.5882 89 I 4.2448 8.4409 118.9753 61.0128 37.9825 177.0085 90 A 3.9458 8.4695 124.8617 55.9192 18.0971 180.0603 91 D 4.2629 8.0823 116.3827 57.4745 40.9425 178.6629 92 A 4.0377 8.0061 120.7228 55.2262 18.3230 179.6629 93 V 3.3731 7.9986 116.4370 66.0981 31.4892 178.1313 94 A 3.8004 8.0347 120.5373 55.1764 18.1601 178.8313 95 C 4.1826 8.4990 117.0894 59.7077 38.2429 175.5518 96 A 3.9671 8.6086 122.7722 55.1364 17.6178 179.6712 97 K 3.5801 7.7660 116.3663 59.3681 32.2342 179.2793 98 R 4.0521 7.6153 118.6632 59.5412 30.0275 178.5554 99 V 3.3133 7.5592 118.0206 66.1621 31.2699 178.0474 100 V 3.9122 7.9103 110.4644 63.3516 31.2862 178.3155 101 R 4.1253 8.0423 117.5705 57.5785 30.5996 176.6589 102 D 4.6295 7.3128 118.6029 53.1177 41.6520 175.2981 103 P 4.2352 0.0000 0.0000 66.4267 30.8736 178.0390 104 Q 4.0203 8.1731 117.8621 55.9389 29.7419 177.7047 105 G 3.8614 7.8430 106.9517 47.0294 0.0000 175.4799 106 I 3.7802 7.7814 119.3149 63.1145 38.1314 178.2642 107 R 4.2601 7.3657 118.2029 58.5355 29.9324 177.5645 108 A 3.9658 7.5743 120.6614 53.4593 18.4801 177.1246 109 W 4.7812 8.0755 116.3496 54.5225 30.9788 176.7884 110 V 3.6924 8.7726 123.6777 66.0172 31.0075 177.5892 111 A 4.0484 8.2423 120.1041 54.7692 18.2159 179.2208 112 W 3.8810 8.1774 126.8954 60.7246 30.6554 178.2837 113 R 3.6275 8.2637 116.0010 59.5246 29.6559 178.3965 114 N 4.3776 8.5434 114.9724 55.0649 38.7122 176.7162 115 R 4.0514 7.9977 116.3733 55.5570 31.5229 175.0724 116 C 4.4943 7.7512 114.7905 58.1518 42.3526 173.9149 117 Q 3.2238 6.2476 117.6526 57.5785 28.4133 176.7941 118 N 4.2345 8.6504 120.2240 53.7195 36.6439 174.1461 119 R 4.4155 7.6158 117.3709 54.0774 31.9902 175.6683 120 D 4.4060 8.5113 119.5904 54.9027 41.2184 176.8009 121 V 4.6168 8.3348 119.0597 61.3811 32.3041 177.5890 122 R 4.0378 8.4305 120.6516 59.4210 29.6442 178.5778 123 Q 3.9653 8.0206 116.1190 59.6588 28.3089 178.2153 124 Y 4.3987 7.7610 117.6223 59.9610 38.3461 176.8191 125 V 4.4120 7.7400 110.6346 60.9347 34.1707 175.5957 126 Q 4.1136 7.8342 119.1359 57.7146 28.8300 177.3496 127 G 3.9258 8.9218 109.5447 46.1918 0.0000 174.4135 128 C 4.5582 8.0832 115.1522 55.9544 40.6574 173.8752 129 G 3.8706 8.0160 107.2574 46.8711 0.0000 174.3335 130 V 3.9955 7.9054 117.9628 61.0656 31.9549 175.9852 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 K 8.17 4.18 0.00 1.95 1.64 0.00 1.28 0.00 0.00 0.97 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.19 7.81 2 V 8.22 4.60 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.81 4.48 0.00 2.86 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 4 E 9.35 4.20 0.00 1.96 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 0.00 2.33 2.25 0.00 5 R 9.04 3.40 0.00 2.03 1.95 0.00 3.46 0.00 0.00 3.49 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 6 C 8.06 4.33 0.00 3.01 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 7 E 8.22 3.92 0.00 2.07 2.31 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 2.62 2.44 0.00 8 L 7.92 3.53 0.00 1.33 1.33 -0.12 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.94 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 10 R 8.32 3.93 0.00 1.91 1.99 0.00 3.14 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.91 3.85 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 1.19 0.00 0.00 12 L 8.20 3.85 0.00 1.72 1.60 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.06 3.92 0.00 1.97 1.94 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.53 7.81 14 R 8.03 3.97 0.00 2.05 1.96 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.58 4.35 0.00 1.51 1.58 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 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 17 M 7.92 3.81 0.00 1.16 1.90 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 18 D 7.90 4.53 0.00 2.68 2.67 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 19 G 9.35 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 20 Y 8.14 4.20 0.00 3.12 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 21 R 8.86 3.58 0.00 1.85 1.86 0.00 3.38 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.51 0.00 22 G 8.48 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 0.00 0.00 0.00 23 I 7.99 4.26 2.02 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.99 -0.24 0.00 0.00 24 S 8.36 4.72 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 25 L 8.60 4.19 0.00 2.00 1.83 0.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.48 0.00 2.78 2.78 0.00 0.00 6.99 7.54 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 28 W 8.13 4.18 0.00 3.59 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 29 M 8.50 4.18 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.95 0.00 30 C 8.18 3.20 0.00 2.70 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.99 3.99 0.00 1.80 1.84 0.46 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.16 4.27 1.43 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 0.00 0.00 33 K 8.21 3.04 0.00 1.65 1.51 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.18 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.66 1.30 7.81 34 W 7.98 4.14 0.00 3.31 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 35 E 8.48 4.31 0.00 2.03 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 0.00 2.58 2.39 0.00 36 S 7.87 4.54 0.00 4.10 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 0.00 37 G 8.25 3.32 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 0.00 38 Y 7.82 3.72 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 39 N 7.74 5.29 0.00 2.78 2.89 0.00 0.00 6.99 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 40 T 8.87 4.07 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 1.46 0.00 0.00 41 R 8.41 4.34 0.00 1.94 2.05 0.00 3.38 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 42 A 7.66 4.29 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 43 T 8.36 5.01 4.06 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 1.31 0.00 0.00 44 N 8.90 4.92 0.00 2.84 2.85 0.00 0.00 6.71 7.18 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 45 Y 8.73 4.72 0.00 3.00 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 46 N 8.80 4.41 0.00 2.49 2.57 0.00 0.00 6.63 7.79 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 47 A 8.32 3.68 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 48 G 8.15 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 49 D 7.69 4.72 0.00 2.73 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 50 R 8.05 3.95 0.00 2.05 2.13 0.00 3.09 0.00 0.00 3.18 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 51 S 7.23 4.94 0.00 3.93 3.91 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 52 T 8.79 5.04 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 0.73 0.00 0.00 53 D 9.11 5.54 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.37 4.85 0.00 2.87 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 55 G 9.04 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 56 I 8.16 3.72 1.68 0.00 0.00 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 0.98 2.24 0.03 0.00 0.00 57 F 7.98 4.89 0.00 3.24 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 58 Q 7.85 3.68 0.00 2.61 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 59 I 8.31 4.34 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.98 0.00 0.00 60 N 8.87 5.28 0.00 2.91 2.86 0.00 0.00 7.42 7.63 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 61 S 8.92 4.45 0.00 4.24 4.55 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 62 R 8.28 3.99 0.00 1.74 1.74 0.00 3.17 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 63 Y 8.35 4.21 0.00 3.32 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 64 C 8.12 4.96 0.00 2.94 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 65 A 8.76 4.24 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 66 N 8.13 4.16 0.00 2.99 2.94 0.00 0.00 6.71 8.49 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 67 D 8.47 4.35 0.00 2.73 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 68 G 8.94 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 0.00 0.00 0.00 69 K 7.89 4.18 0.00 1.66 1.99 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 70 T 8.12 4.45 4.23 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 1.19 0.00 0.00 71 P 0.00 4.87 0.00 2.13 2.03 0.00 3.16 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 72 G 8.48 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.82 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 74 V 7.02 3.67 1.49 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 0.20 0.00 0.00 0.52 0.00 0.00 75 N 8.73 4.53 0.00 2.83 2.87 0.00 0.00 7.10 8.13 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 76 A 8.02 4.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.69 4.57 0.00 3.30 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 78 H 8.36 4.62 0.00 3.15 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.16 4.34 0.00 1.67 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.01 4.65 0.00 3.97 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 81 C 8.40 4.05 0.00 2.49 1.51 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 82 S 7.49 3.93 0.00 3.79 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 0.00 83 A 7.74 4.14 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 84 L 7.48 4.41 0.00 1.79 1.81 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.50 5.39 0.00 1.76 1.73 1.11 1.11 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 86 Q 7.53 4.26 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 87 D 8.73 4.40 0.00 2.63 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 88 N 8.00 4.67 0.00 2.69 2.75 0.00 0.00 6.95 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 89 I 8.44 4.24 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 0.98 0.00 0.00 90 A 8.47 3.95 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 91 D 8.08 4.26 0.00 2.74 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 92 A 8.01 4.04 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 93 V 8.00 3.37 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 0.78 0.00 0.00 0.93 0.00 0.00 94 A 8.03 3.80 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 95 C 8.50 4.18 0.00 3.00 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 96 A 8.61 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.77 3.58 0.00 1.69 1.50 0.00 1.30 0.00 0.00 1.05 0.00 0.00 2.35 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.74 7.81 98 R 7.62 4.05 0.00 1.83 2.13 0.00 3.17 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 99 V 7.56 3.31 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 0.21 0.00 0.00 -0.07 0.00 0.00 100 V 7.91 3.91 2.41 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 1.12 0.00 0.00 1.43 0.00 0.00 101 R 8.04 4.13 0.00 2.03 2.04 0.00 3.23 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 102 D 7.31 4.63 0.00 3.02 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 0.00 103 P 0.00 4.24 0.00 2.16 2.21 0.00 3.79 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 2.00 2.03 0.00 104 Q 8.17 4.02 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 105 G 7.84 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 0.00 0.00 0.00 106 I 7.78 3.78 1.04 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.71 -0.87 0.00 0.00 107 R 7.37 4.26 0.00 2.06 2.06 0.00 3.30 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 108 A 7.57 3.97 0.93 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 0.00 109 W 8.08 4.78 0.00 3.47 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 0.00 110 V 8.77 3.69 2.16 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 1.11 0.00 0.00 0.98 0.00 0.00 111 A 8.24 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.18 3.88 0.00 3.39 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 3.63 0.00 1.93 1.97 0.00 3.32 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 114 N 8.54 4.38 0.00 2.50 2.70 0.00 0.00 6.93 7.63 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 0.00 115 R 8.00 4.05 0.00 0.83 0.66 0.00 2.22 0.00 0.00 2.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 116 C 7.75 4.49 0.00 1.74 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 0.00 117 Q 6.25 3.22 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.11 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 118 N 8.65 4.23 0.00 2.80 2.87 0.00 0.00 7.06 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 0.00 119 R 7.62 4.42 0.00 1.85 1.81 0.00 2.89 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 120 D 8.51 4.41 0.00 2.64 2.60 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 0.00 121 V 8.33 4.62 2.39 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 1.00 0.00 0.00 1.06 0.00 0.00 122 R 8.43 4.04 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.02 3.97 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 1.90 1.31 0.00 124 Y 7.76 4.40 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.74 4.41 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 1.07 0.00 0.00 1.06 0.00 0.00 126 Q 7.83 4.11 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 127 G 8.92 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 0.00 128 C 8.08 4.56 0.00 3.10 3.13 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 0.00 129 G 8.02 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 0.00 130 V 7.91 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00