NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4164 8.3301 115.2948 58.2088 63.5673 172.7550 2 A 4.5624 8.2368 128.6675 50.4131 21.9677 172.9393 3 E 4.6279 9.1447 121.8122 55.5017 31.9170 171.1100 4 L 5.2932 8.2237 122.9468 52.2991 43.2346 175.0067 5 H 4.7577 8.4395 124.1178 54.1261 32.5891 172.8658 6 L 4.6126 8.4427 125.6042 54.6167 43.2415 176.6351 7 E 4.3037 8.3610 121.3384 55.7623 32.1729 173.8590 8 S 5.4899 8.6595 123.7492 55.8674 61.7928 174.1321 9 R 3.6370 8.7211 127.1275 57.7877 30.2324 176.7889 10 G 4.2119 7.3405 106.0371 42.8421 0.0000 171.4984 11 G 3.6156 9.1636 112.4635 46.3316 0.0000 174.1737 12 S 4.3871 9.0604 113.4496 58.6180 65.7364 176.0223 13 G 4.1774 8.8875 108.0410 46.7474 0.0000 173.5930 14 T 4.2850 7.3392 112.0570 61.5495 67.4178 173.2928 15 Q 4.0781 8.1177 121.9746 54.3957 25.7496 172.2048 16 L 4.2074 7.9679 124.6030 54.4554 43.4012 176.1055 17 R 4.4917 8.9584 125.9664 56.3465 31.0571 178.0440 18 D 4.2327 8.2344 122.3553 54.5793 40.6180 177.6554 19 G 3.6805 7.6110 103.0402 48.5613 0.0000 174.7229 20 A 3.8637 7.0605 125.0751 50.1076 17.4937 177.2562 21 K 4.9000 8.2231 122.5995 58.4973 33.0061 174.6408 22 V 4.3873 7.8641 110.8837 61.7383 40.3000 172.3793 23 A 4.8052 7.6746 124.5820 50.9383 21.2226 175.0491 24 T 4.7928 7.7964 120.6165 61.5466 70.1267 174.7501 25 G 4.4107 7.6659 117.3907 46.1922 0.0000 169.6607 26 R 4.7740 7.8643 114.3426 55.1146 32.7059 174.0114 27 I 4.6595 8.2017 122.4602 59.3250 41.0639 173.9135 28 I 5.0667 8.0635 125.8287 59.8923 40.7771 174.5145 29 C 5.4425 9.8956 130.7131 56.7931 46.8312 173.5468 30 R 5.5255 7.8949 123.7809 57.1196 30.4189 172.7342 31 E 4.4536 7.7731 117.1754 55.2084 33.1429 173.7797 32 A 3.8951 8.3710 124.3417 52.8966 17.9303 176.4679 33 H 4.4794 7.5062 116.5125 56.6620 30.2743 174.2092 34 T 4.8851 8.0227 114.8368 62.6761 69.2935 174.2471 35 G 4.4308 7.4239 104.3934 46.6369 0.0000 172.9961 36 F 5.0690 8.1792 120.7018 55.8370 41.5761 174.1402 37 H 5.8167 9.4951 123.8144 53.9506 31.6358 173.1962 38 V 4.3873 8.7403 124.7851 58.3421 35.3104 174.1274 39 W 5.6485 7.2657 117.5218 55.5317 31.8137 174.6329 40 M 4.8186 8.5487 114.3362 53.4108 33.2504 177.4076 41 N 4.4626 8.6032 113.9522 53.6167 36.8088 174.7337 42 E 4.3810 7.7762 119.7898 56.4782 28.7646 176.5629 43 R 3.3372 7.5936 116.7830 57.7345 31.1028 175.9877 44 Q 4.5508 8.0489 112.3402 55.2925 32.7227 173.0103 45 V 4.4636 8.2319 119.9255 61.0451 32.9456 173.4913 46 D 4.5951 8.7809 127.2453 54.6369 41.0734 171.8828 47 G 3.2172 7.2333 105.9765 45.1216 0.0000 171.8840 48 R 4.1318 9.4230 115.6038 55.0286 30.7785 176.4358 49 A 4.9777 8.7524 132.3969 51.8795 18.2602 178.3379 50 E 3.9486 7.3023 116.3843 55.7694 31.3453 175.0586 51 R 3.3809 7.6212 119.2094 55.2942 29.9312 175.9404 52 Y 4.9026 7.7349 124.0351 55.5344 41.1807 174.8540 53 V 3.8497 8.6620 124.2000 63.0850 32.3108 175.6532 54 V 4.5265 8.2100 120.8571 60.1893 34.3068 175.0525 55 Q 5.0184 8.5488 120.6887 54.8452 31.2948 174.7675 56 S 4.2796 8.1338 114.1656 57.5040 64.8026 173.0642 57 K 4.1543 8.4536 119.7501 57.7113 33.1541 177.3285 58 D 4.5658 7.7148 117.1185 53.3219 41.2387 176.9165 59 G 3.9236 7.9498 102.3678 45.2939 0.0000 173.9907 60 R 4.4630 7.3112 113.7971 57.0848 33.5128 173.2633 61 H 4.8934 7.4695 110.5696 55.2718 31.2550 172.3091 62 E 5.2569 9.1182 117.2887 54.6520 32.5418 175.4234 63 L 4.4727 9.3224 124.9043 52.8379 43.5089 175.7941 64 R 4.3978 8.3143 124.8324 57.0670 30.5416 175.7693 65 V 4.7565 7.9564 111.7480 60.6697 36.5318 173.4067 66 R 4.3531 8.4445 120.6223 55.2942 33.9979 173.9997 67 T 4.0732 8.1104 124.2067 63.1778 72.6905 174.5587 68 G 2.8381 7.5314 106.4251 45.9109 0.0000 174.0467 69 G 4.0709 7.8504 105.0517 45.2452 0.0000 173.7070 70 D 4.4874 8.3307 119.5383 56.8217 41.0637 178.1882 71 G 4.2088 8.1177 101.5109 45.3851 0.0000 172.8057 72 W 4.4148 8.4721 119.4342 56.8861 29.3433 174.4037 73 S 4.8243 9.1248 112.9891 56.0404 65.2661 172.1012 74 P 4.6454 0.0000 0.0000 63.4614 31.2722 175.6538 75 V 4.4890 7.9698 123.9106 60.5040 34.7268 176.2740 76 K 4.2362 8.9556 125.2328 56.4569 30.1610 175.3627 77 G 4.1239 8.2622 111.4768 42.8795 0.0000 170.6654 78 E 3.7586 8.7449 125.7694 57.8974 30.0565 176.2592 79 G 3.4733 8.7013 110.5466 46.8404 0.0000 173.5092 80 G 4.0571 7.9055 109.2020 46.1769 0.0000 175.1327 81 K 4.8192 6.8461 118.9822 55.5423 33.5442 175.7725 82 G 4.2117 8.4135 107.1824 44.1222 0.0000 173.2626 83 V 5.1626 8.3289 118.8654 59.3291 36.6540 174.8565 84 S 6.0341 10.0322 118.5581 56.1725 66.3545 173.9711 85 R 4.5025 7.2606 119.4813 53.1262 32.5449 173.0745 86 P 4.0880 0.0000 0.0000 63.1316 31.9182 175.7313 87 G 2.5738 8.2863 109.2619 46.0586 0.0000 175.6284 88 Q 3.6145 6.9511 117.2691 58.1230 28.7466 177.7594 89 E 3.9253 7.5401 119.5779 56.3048 30.3112 176.0110 90 E 4.1831 8.9868 126.1818 59.2826 30.6700 176.3667 91 Q 5.3522 7.6220 114.4793 56.1861 33.0890 173.6500 92 V 3.8684 6.9525 118.2181 59.3337 35.4307 174.4157 93 F 5.1279 7.4761 124.8732 56.1939 39.9383 174.9482 94 F 5.1400 7.5266 119.7417 55.4037 39.8679 174.6861 95 D 5.3925 8.8237 122.3250 51.8843 41.4726 176.3722 96 V 4.4449 8.2494 114.4773 60.1534 33.5909 174.9612 97 M 4.5764 9.5142 128.8188 54.2022 33.0185 175.3376 98 A 4.7264 8.0631 129.6969 51.1399 18.5851 177.6190 99 D 5.0140 7.6052 125.8057 55.3845 38.6033 175.4868 100 G 3.2180 8.1217 109.3856 45.3594 0.0000 171.9762 101 N 5.1880 5.7700 115.8624 52.2036 37.8926 169.6750 102 Q 4.6064 7.2624 123.5183 53.6254 26.9503 172.7529 103 D 4.3206 7.9349 111.0743 53.5956 45.3852 175.5100 104 I 4.0536 8.8799 117.8350 60.3921 37.3744 174.8823 105 A 3.7783 8.0452 127.1123 49.7041 19.2187 175.1956 106 P 4.3844 0.0000 0.0000 63.2490 32.3965 174.9297 107 G 3.7708 7.4856 104.0922 43.9995 0.0000 172.0156 108 E 5.2398 8.6639 119.2900 54.6062 33.1311 175.5215 109 Y 4.6938 9.1493 123.5299 55.9774 41.6010 174.4858 110 R 4.4588 7.9162 121.9256 54.3434 33.1224 174.4593 111 F 5.1719 9.3453 125.3515 55.9514 42.5397 173.9951 112 S 5.8097 9.5538 121.0302 56.2352 64.9351 174.9709 113 V 4.8401 7.8885 124.9665 59.6596 33.5621 175.9162 114 G 4.1750 7.0100 114.6111 45.6150 0.0000 172.9754 115 G 4.2069 7.2195 107.6689 43.6417 0.0000 171.5315 116 A 4.0907 7.9008 129.5407 54.5433 18.8053 176.3846 117 C 4.5856 8.8187 107.9194 54.9714 40.7802 173.5834 118 V 4.1441 7.3439 117.7107 60.8886 32.5559 175.3079 119 V 4.3090 7.9704 125.0807 60.0125 32.3751 173.0978 120 P 4.3788 0.0000 0.0000 62.8040 31.7307 175.7227 121 Q 4.5353 8.3070 121.8346 54.3192 32.2585 174.9648 122 E 4.2210 8.5848 118.1311 56.5370 27.1380 175.6553 123 D 4.9782 7.8684 125.9970 52.6712 43.9272 175.9976 124 N 4.4541 8.4046 118.5583 55.6335 39.3988 174.6566 125 K 4.6488 7.3555 116.2771 54.3379 35.6891 175.8348 126 Q 4.6400 8.2197 118.9873 55.4534 30.8329 176.4814 127 G 4.1464 8.6326 108.4261 45.2620 0.0000 173.3590 128 F 4.8326 8.6935 118.2438 56.4630 40.0884 175.1684 129 T 4.3850 8.1949 116.4635 59.4161 68.9668 172.1663 130 P 4.7729 0.0000 0.0000 61.8534 30.6629 175.0666 131 S 4.4023 7.7882 115.3442 59.3459 67.4057 172.2911 132 G 4.2745 8.3231 112.0856 44.5905 0.0000 172.7917 133 T 4.3276 8.2156 117.1070 64.2547 69.8289 172.6985 134 T 5.1665 8.2994 111.0915 60.8734 71.8261 173.3073 135 G 4.3750 9.4073 109.9126 45.7398 0.0000 171.8796 136 T 4.9270 8.0723 110.7342 59.9076 72.1374 174.1951 137 T 4.6256 7.7982 115.3836 63.2109 72.8964 171.6573 138 K 4.6141 8.6579 125.3306 54.9205 35.3201 175.7464 139 L 4.5589 8.7779 124.2117 53.8475 43.1604 176.1568 140 T 4.6446 8.6267 122.3159 62.8322 68.9594 174.3486 141 V 4.4336 9.1166 128.1860 61.4289 34.0178 175.9178 142 T 4.1042 8.2503 120.3010 62.7725 67.0426 172.8698 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 S 8.33 4.42 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 2 A 8.24 4.56 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 3 E 9.14 4.63 0.00 1.96 1.83 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 2.21 2.29 0.00 4 L 8.22 5.29 0.00 1.56 1.63 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.44 4.76 0.00 3.22 3.09 0.00 5.86 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.44 4.61 0.00 1.67 1.59 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.36 4.30 0.00 2.05 1.72 0.00 0.00 0.00 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 2.35 0.00 8 S 8.66 5.49 0.00 3.99 3.78 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 R 8.72 3.64 0.00 1.76 1.94 0.00 3.25 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 10 G 7.34 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 0.00 0.00 0.00 11 G 9.16 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 12 S 9.06 4.39 0.00 3.95 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 13 G 8.89 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 0.00 0.00 0.00 0.00 14 T 7.34 4.29 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 15 Q 8.12 4.08 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.65 2.29 0.00 16 L 7.97 4.21 0.00 1.74 1.52 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.96 4.49 0.00 1.84 1.81 0.00 3.26 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 18 D 8.23 4.23 0.00 2.72 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 19 G 7.61 3.68 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 0.00 0.00 0.00 20 A 7.06 3.86 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 21 K 8.22 4.90 0.00 1.94 1.77 0.00 1.08 0.00 0.00 2.34 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 22 V 7.86 4.39 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 0.64 0.00 0.00 0.84 0.00 0.00 23 A 7.67 4.81 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 24 T 7.80 4.79 4.16 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 1.21 0.00 0.00 25 G 7.67 4.41 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 0.00 26 R 7.86 4.77 0.00 1.80 2.16 0.00 3.22 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 27 I 8.20 4.66 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.46 -0.40 0.00 0.00 28 I 8.06 5.07 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.94 0.00 0.00 29 C 9.90 5.44 0.00 3.23 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 30 R 7.89 5.53 0.00 2.04 2.05 0.00 3.07 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 31 E 7.77 4.45 0.00 1.86 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 2.27 2.11 0.00 32 A 8.37 3.90 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 33 H 7.51 4.48 0.00 3.19 3.35 0.00 5.42 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.02 4.89 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 1.14 0.00 0.00 35 G 7.42 4.43 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 0.00 36 F 8.18 5.07 0.00 2.43 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 37 H 9.50 5.82 0.00 3.33 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.74 4.39 1.58 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 -0.19 0.00 0.00 0.00 0.00 0.00 39 W 7.27 5.65 0.00 3.29 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 40 M 8.55 4.82 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.51 0.00 41 N 8.60 4.46 0.00 3.28 3.09 0.00 0.00 6.83 7.59 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 42 E 7.78 4.38 0.00 1.93 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 2.53 2.52 0.00 43 R 7.59 3.34 0.00 1.96 1.87 0.00 3.25 0.00 0.00 3.22 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 44 Q 8.05 4.55 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.16 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 45 V 8.23 4.46 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 0.77 0.00 0.00 0.96 0.00 0.00 46 D 8.78 4.60 0.00 2.84 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 47 G 7.23 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 0.00 0.00 0.00 48 R 9.42 4.13 0.00 1.88 1.76 0.00 3.57 0.00 0.00 3.35 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 49 A 8.75 4.98 1.50 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 0.00 0.00 50 E 7.30 3.95 0.00 1.91 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 2.10 2.11 0.00 51 R 7.62 3.38 0.00 1.64 1.77 0.00 3.36 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 52 Y 7.73 4.90 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 53 V 8.66 3.85 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 0.85 0.00 0.00 0.97 0.00 0.00 54 V 8.21 4.53 2.37 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 0.69 0.00 0.00 0.87 0.00 0.00 55 Q 8.55 5.02 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 56 S 8.13 4.28 0.00 2.72 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 57 K 8.45 4.15 0.00 1.49 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.26 7.81 58 D 7.71 4.57 0.00 2.53 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 59 G 7.95 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 60 R 7.31 4.46 0.00 1.68 2.01 0.00 3.25 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 61 H 7.47 4.89 0.00 3.39 3.34 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 62 E 9.12 5.26 0.00 2.13 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 2.21 2.41 0.00 63 L 9.32 4.47 0.00 0.71 1.67 0.53 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.31 4.40 0.00 1.79 1.86 0.00 3.36 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 65 V 7.96 4.76 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 0.43 0.00 0.00 1.04 0.00 0.00 66 R 8.44 4.35 0.00 1.69 1.68 0.00 3.13 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 67 T 8.11 4.07 4.30 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 1.03 0.00 0.00 68 G 7.53 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 0.00 0.00 0.00 69 G 7.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.33 4.49 0.00 2.73 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 71 G 8.12 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 0.00 0.00 0.00 0.00 72 W 8.47 4.41 0.00 3.30 3.28 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 73 S 9.12 4.82 0.00 3.94 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 74 P 0.00 4.65 0.00 2.15 2.11 0.00 3.80 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 2.02 2.00 0.00 75 V 7.97 4.49 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 0.65 0.00 0.00 1.06 0.00 0.00 76 K 8.96 4.24 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.47 7.81 77 G 8.26 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 78 E 8.74 3.76 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 79 G 8.70 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.91 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 0.00 0.00 0.00 0.00 81 K 6.85 4.82 0.00 2.06 1.84 0.00 1.12 0.00 0.00 2.43 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 82 G 8.41 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 0.00 0.00 0.00 83 V 8.33 5.16 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 0.96 0.00 0.00 0.92 0.00 0.00 84 S 10.03 6.03 0.00 3.68 3.70 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 0.00 0.00 0.00 0.00 85 R 7.26 4.50 0.00 1.21 0.66 0.00 2.83 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 86 P 0.00 4.09 0.00 1.90 1.94 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 87 G 8.29 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 0.00 0.00 0.00 88 Q 6.95 3.61 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 89 E 7.54 3.93 0.00 1.86 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 2.38 2.56 0.00 90 E 8.99 4.18 0.00 2.11 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 2.38 2.35 0.00 91 Q 7.62 5.35 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.39 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 92 V 6.95 3.87 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 0.86 0.00 0.00 0.49 0.00 0.00 93 F 7.48 5.13 0.00 2.70 2.94 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 94 F 7.53 5.14 0.00 3.24 3.68 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 95 D 8.82 5.39 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 96 V 8.25 4.44 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 0.94 0.00 0.00 0.83 0.00 0.00 97 M 9.51 4.58 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 98 A 8.06 4.73 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 99 D 7.61 5.01 0.00 2.66 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 0.00 100 G 8.12 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 0.00 0.00 0.00 101 N 5.77 5.19 0.00 2.86 3.01 0.00 0.00 7.16 6.53 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 0.00 102 Q 7.26 4.61 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 103 D 7.93 4.32 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 0.00 104 I 8.88 4.05 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.82 0.00 0.00 105 A 8.05 3.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.04 2.04 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 107 G 7.49 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 0.00 108 E 8.66 5.24 0.00 1.95 1.67 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 2.27 2.22 0.00 109 Y 9.15 4.69 0.00 2.65 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 0.00 0.00 0.00 110 R 7.92 4.46 0.00 1.58 1.59 0.00 3.14 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 1.39 1.52 0.00 111 F 9.35 5.17 0.00 3.05 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 0.00 112 S 9.55 5.81 0.00 3.92 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 0.00 113 V 7.89 4.84 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 0.82 0.00 0.00 1.17 0.00 0.00 114 G 7.01 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 0.00 115 G 7.22 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 0.00 0.00 0.00 116 A 7.90 4.09 1.58 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 0.00 117 C 8.82 4.59 0.00 3.73 3.79 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 0.00 118 V 7.34 4.14 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 0.88 0.00 0.00 0.99 0.00 0.00 119 V 7.97 4.31 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 0.98 0.00 0.00 0.88 0.00 0.00 120 P 0.00 4.38 0.00 2.13 2.03 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 121 Q 8.31 4.54 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.35 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 122 E 8.58 4.22 0.00 2.12 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 2.29 2.34 0.00 123 D 7.87 4.98 0.00 2.67 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 0.00 124 N 8.40 4.45 0.00 2.68 2.80 0.00 0.00 6.76 6.69 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 0.00 125 K 7.36 4.65 0.00 1.73 1.66 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 126 Q 8.22 4.64 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.89 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 127 G 8.63 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 0.00 128 F 8.69 4.83 0.00 3.18 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 0.00 129 T 8.19 4.38 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 1.08 0.00 0.00 130 P 0.00 4.77 0.00 2.23 2.18 0.00 3.66 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 131 S 7.79 4.40 0.00 3.79 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 0.00 132 G 8.32 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 0.00 133 T 8.22 4.33 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 1.27 0.00 0.00 134 T 8.30 5.17 4.38 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 1.47 0.00 0.00 135 G 9.41 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 0.00 0.00 0.00 0.00 136 T 8.07 4.93 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 1.23 0.00 0.00 137 T 7.80 4.63 4.62 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 1.45 0.00 0.00 138 K 8.66 4.61 0.00 2.24 1.59 0.00 1.55 0.00 0.00 1.88 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.42 7.81 139 L 8.78 4.56 0.00 1.78 1.78 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.63 4.64 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 1.24 0.00 0.00 141 V 9.12 4.43 2.32 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 1.10 0.00 0.00 1.33 0.00 0.00 142 T 8.25 4.10 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 1.23 0.00 0.00