NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.5404 8.4444 118.7904 56.3058 31.0918 174.5362 2 W 5.2208 9.2149 128.2906 55.9926 34.0562 173.8852 3 T 3.5460 9.3500 122.5418 66.7765 68.7807 174.4811 4 G 2.4980 5.3800 106.1605 44.2691 0.0000 173.1571 5 D 4.5112 7.6528 120.3775 54.8719 42.1038 176.5413 6 A 4.7182 8.4240 123.7696 50.6711 16.4972 176.4863 7 R 4.6779 7.6886 119.2406 54.0553 35.7405 173.8503 8 D 4.3249 8.5797 120.7586 55.0646 41.5826 176.5014 9 G 3.9039 7.8387 108.8372 45.0225 0.0000 171.3391 10 M 5.4284 8.5056 115.6970 54.0370 34.3912 174.2395 11 F 4.9496 9.3635 120.1992 56.0805 41.8215 174.7277 12 S 4.6814 8.7807 119.8471 57.3823 64.8844 173.8516 13 G 3.7909 8.4695 108.3570 46.7477 0.0000 173.5230 14 V 4.3106 7.8967 119.9152 61.3824 33.2587 174.6350 15 V 4.3737 8.1753 127.7266 61.5687 32.9964 174.8227 16 I 4.4670 8.6241 129.5506 62.0483 36.7371 175.5810 17 T 4.6713 8.9835 118.0571 62.0238 70.6565 174.9010 18 Q 4.8840 8.1712 119.9963 54.1548 33.3593 173.9784 19 F 5.0921 8.5598 122.9932 57.0579 42.8594 173.0604 20 H 5.1718 9.1688 125.0501 54.7517 33.2684 171.8272 21 T 4.8194 8.5392 115.2218 60.3755 71.4462 173.8530 22 G 3.7275 7.1855 109.2418 45.7140 0.0000 171.2144 23 Q 5.1019 8.6134 120.0473 54.2616 32.4148 175.3844 24 I 4.5037 8.6827 123.5821 60.7970 41.4285 174.6740 25 D 4.4545 9.5947 127.2352 55.6496 38.1595 173.3683 26 N 4.2625 8.2321 110.3389 53.9714 37.9439 172.9496 27 K 4.5001 7.8410 115.9255 53.0985 35.3534 174.0719 28 P 4.8907 0.0000 0.0000 63.1636 32.7275 174.7156 29 Y 5.5994 8.6020 119.0943 55.5812 42.1215 173.6412 30 F 5.5540 9.3976 114.0981 55.4941 41.9748 172.9490 31 C 5.4825 9.7013 117.0853 55.1496 38.7402 173.1085 32 I 5.1429 8.3871 114.1975 59.1318 40.9845 173.8095 33 E 5.1242 8.8579 123.2654 54.6968 33.2422 174.6456 34 G 4.6605 9.0269 111.2442 44.7066 0.0000 171.4176 35 K 5.3176 8.5457 120.3362 54.3262 35.5561 176.2999 36 Q 4.6726 8.7473 123.0143 55.1228 29.7065 177.3128 37 S 4.0047 8.8764 114.6076 61.8312 62.5375 176.0325 38 A 3.9839 7.9595 122.1882 52.5540 18.0966 178.9013 39 G 3.9668 8.5937 104.4239 45.2736 0.0000 174.5366 40 S 4.1048 7.5104 116.6912 59.4269 63.1759 173.2091 41 S 5.2698 8.5831 119.9370 56.8814 64.4237 172.9700 42 I 4.2343 8.5400 124.9327 59.3365 41.0205 173.9130 43 S 5.5664 8.4809 124.0298 56.2269 65.9585 173.2605 44 A 4.8129 8.0835 121.7814 51.3043 22.5260 175.8263 45 C 5.3174 9.5166 118.5952 55.1107 38.4319 172.9748 46 S 5.3839 8.1995 116.3795 56.7238 65.0884 172.3012 47 M 4.9775 8.7224 125.2751 53.1788 34.9547 174.5473 48 K 3.7591 8.0591 127.4440 57.5227 32.7229 176.6167 49 N 4.7108 9.0418 121.6821 54.0339 35.9968 174.2292 50 S 4.4226 7.4028 113.2410 57.5709 63.4252 173.2613 51 S 3.8864 8.1832 114.6266 61.6258 62.2265 175.4478 52 V 3.4867 7.9293 121.1184 65.3596 32.2153 177.2488 53 W 4.9336 7.9559 117.0810 56.7107 29.3308 178.2864 54 G 3.9908 8.1386 107.2390 46.7440 0.0000 175.7833 55 A 4.2317 8.1977 121.6174 54.5178 18.6555 178.6064 56 S 4.6365 8.1440 112.5541 58.8397 63.3585 175.8471 57 F 4.6687 8.1454 126.0110 61.1035 39.2169 177.2113 58 S 4.0560 8.2982 111.7729 61.7448 62.2777 176.0810 59 T 3.9296 7.9125 117.9633 66.6522 68.3380 176.7092 60 L 4.1097 8.3432 121.2040 57.7469 41.6680 178.8505 61 Y 2.7834 8.2585 119.8708 60.3793 38.6859 177.5846 62 N 3.9989 7.8204 116.8868 56.6583 38.6629 177.4114 63 Q 3.5921 8.1877 118.8718 58.7318 28.7745 178.6645 64 A 4.2582 8.4837 122.1254 55.2386 18.4675 179.4769 65 L 3.5674 7.7322 118.8243 58.0714 42.0434 178.2941 66 Y 3.8414 7.7959 119.4890 60.9873 38.6961 178.3723 67 F 4.6921 8.5272 118.8924 60.8532 38.7874 177.0427 68 Y 4.1978 8.5268 118.9117 60.9029 38.6044 178.2242 69 T 3.8293 7.5641 116.1092 66.8316 68.7405 176.8100 70 T 3.9353 7.5366 110.1849 62.5589 68.8069 175.5532 71 G 3.8093 7.7565 108.5439 45.6510 0.0000 173.2510 72 Q 4.4291 7.5071 117.3855 54.6073 29.8497 173.9197 73 P 4.5913 0.0000 0.0000 63.0130 32.2948 175.6741 74 V 4.4809 8.9737 116.1645 59.5586 36.8217 173.9128 75 R 4.7433 9.1829 123.0934 55.2745 31.7846 174.9408 76 I 4.6328 8.8271 127.9328 60.2391 38.9322 174.2080 77 Y 5.0066 8.7689 125.8077 57.0423 39.6547 174.5856 78 Y 5.1820 8.6708 120.9248 55.3919 42.5448 173.5309 79 E 4.9232 8.7097 121.5990 53.5118 31.9201 173.6646 80 P 5.1810 0.0000 0.0000 63.0375 32.4423 176.3922 81 G 3.8552 8.4793 108.3301 46.5733 0.0000 175.3506 82 V 3.5198 7.7498 120.5352 64.7800 31.6519 176.7647 83 W 4.8283 7.1864 118.4094 56.4392 29.6501 176.1881 84 T 4.5464 8.4123 110.0137 60.7956 70.1684 173.7606 85 Y 4.2653 8.0960 123.4317 57.3202 39.4892 174.2173 86 P 4.1846 0.0000 0.0000 65.3885 31.6892 176.8249 87 P 4.1171 0.0000 0.0000 65.2586 31.1301 178.5404 88 F 3.9726 7.9496 119.1747 61.1319 39.2655 177.1141 89 V 3.9112 7.8420 116.6059 66.0069 31.4116 177.4769 90 K 3.9961 7.9000 117.5800 59.6768 32.1555 178.3402 91 A 4.1369 7.6550 119.0080 52.5222 18.5115 177.8204 92 L 4.2622 7.6949 112.1200 54.4893 42.6912 177.5185 93 T 4.3211 8.3661 112.5849 62.0556 70.7730 171.9794 94 S 4.8648 8.3562 119.1404 59.7032 64.9699 173.6193 95 N 4.9234 8.2627 120.0947 53.3798 39.3403 174.1026 96 A 5.0691 8.5486 126.3128 51.0471 20.4646 176.0425 97 L 4.5268 8.9385 125.2085 55.1271 42.4221 176.9618 98 V 4.0047 8.9467 118.2411 60.0260 33.4974 175.4773 99 G 4.0191 7.4777 108.7515 46.4382 0.0000 171.7417 100 L 5.8466 8.2612 118.3152 53.3476 46.0269 175.9727 101 S 5.0949 8.7240 116.5817 57.0394 67.7916 173.8804 102 T 4.2477 8.8785 113.1423 62.1202 70.0657 173.5879 103 C 5.5277 8.5010 118.9444 55.7250 43.4535 174.1781 104 T 4.1508 9.0264 112.3294 63.0667 69.3447 174.3154 105 T 4.7492 7.2985 110.4937 59.2750 71.8427 174.0073 106 S 4.2419 8.6821 114.8119 60.5506 63.2114 174.7514 107 T 4.3948 7.3104 109.6310 61.0338 70.5814 173.7322 108 E 4.6536 8.2936 122.7607 54.6490 31.0143 174.3394 109 C 5.3407 8.3889 120.0776 54.7244 44.4969 173.7471 110 F 4.5522 8.7036 125.2391 59.5854 39.5528 174.4525 111 G 3.4168 8.1426 111.9482 43.3793 0.0000 171.0632 112 P 4.5488 0.0000 0.0000 62.1705 32.5833 175.1830 113 D 4.5988 8.2806 118.2141 53.9575 42.3634 175.9285 114 R 4.8379 8.7471 122.6913 53.5425 31.3246 173.7599 115 K 4.7889 7.9303 123.2119 54.3092 36.4157 176.5474 116 K 4.1738 8.7702 121.2173 57.1541 31.9846 176.6587 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 E 8.44 4.54 0.00 1.96 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 1.55 1.47 0.00 2 W 9.21 5.22 0.00 3.29 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 3 T 9.35 3.55 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 0.35 0.00 0.00 4 G 5.38 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 0.00 0.00 0.00 5 D 7.65 4.51 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 6 A 8.42 4.72 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 7 R 7.69 4.68 0.00 1.67 1.72 0.00 3.19 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 D 8.58 4.32 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 10 M 8.51 5.43 0.00 1.67 1.50 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 11 F 9.36 4.95 0.00 2.79 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 12 S 8.78 4.68 0.00 3.77 3.72 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 0.00 0.00 0.00 13 G 8.47 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 0.00 0.00 0.00 14 V 7.90 4.31 2.23 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 0.95 0.00 0.00 1.12 0.00 0.00 15 V 8.18 4.37 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 0.89 0.00 0.00 0.96 0.00 0.00 16 I 8.62 4.47 2.16 0.00 0.00 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 1.56 0.80 1.26 0.00 0.00 17 T 8.98 4.67 4.34 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 1.26 0.00 0.00 18 Q 8.17 4.88 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 19 F 8.56 5.09 0.00 2.36 2.47 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 20 H 9.17 5.17 0.00 3.25 3.08 0.00 5.77 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 21 T 8.54 4.82 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 1.55 0.00 0.00 22 G 7.19 3.73 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 0.00 23 Q 8.61 5.10 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 I 8.68 4.50 1.90 0.00 0.00 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 1.07 1.13 0.57 0.00 0.00 25 D 9.59 4.45 0.00 2.69 2.58 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 26 N 8.23 4.26 0.00 2.79 2.85 0.00 0.00 7.05 6.68 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 27 K 7.84 4.50 0.00 1.77 1.58 0.00 1.92 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.38 7.81 28 P 0.00 4.89 0.00 1.97 2.06 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 29 Y 8.60 5.60 0.00 3.07 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 30 F 9.40 5.55 0.00 3.21 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 31 C 9.70 5.48 0.00 2.85 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 32 I 8.39 5.14 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.85 0.00 0.00 33 E 8.86 5.12 0.00 1.99 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 2.33 2.35 0.00 34 G 9.03 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.55 5.32 0.00 1.72 1.71 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.61 7.81 36 Q 8.75 4.67 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 37 S 8.88 4.00 0.00 3.95 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 38 A 7.96 3.98 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 39 G 8.59 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.51 4.10 0.00 4.01 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 41 S 8.58 5.27 0.00 3.89 3.75 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 42 I 8.54 4.23 0.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.27 0.72 0.00 0.00 43 S 8.48 5.57 0.00 3.65 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 44 A 8.08 4.81 1.17 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 45 C 9.52 5.32 0.00 2.96 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 46 S 8.20 5.38 0.00 3.75 3.24 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 47 M 8.72 4.98 0.00 1.96 1.04 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 48 K 8.06 3.76 0.00 0.79 1.20 0.00 1.35 0.00 0.00 1.38 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.26 1.24 7.81 49 N 9.04 4.71 0.00 2.87 2.88 0.00 0.00 7.09 7.57 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 50 S 7.40 4.42 0.00 4.21 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 51 S 8.18 3.89 0.00 3.86 3.76 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 52 V 7.93 3.49 1.42 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 0.06 0.00 0.00 0.75 0.00 0.00 53 W 7.96 4.93 0.00 3.54 3.24 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 54 G 8.14 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 0.00 0.00 0.00 55 A 8.20 4.23 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 56 S 8.14 4.64 0.00 4.28 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.15 4.67 0.00 3.44 3.27 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 58 S 8.30 4.06 0.00 4.11 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 59 T 7.91 3.93 4.32 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 1.24 0.00 0.00 60 L 8.34 4.11 0.00 2.02 2.10 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.26 2.78 0.00 2.26 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 62 N 7.82 4.00 0.00 2.99 2.76 0.00 0.00 7.13 6.93 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 63 Q 8.19 3.59 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 64 A 8.48 4.26 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 65 L 7.73 3.57 0.00 1.02 1.18 0.13 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.80 3.84 0.00 3.03 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 67 F 8.53 4.69 0.00 3.25 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 68 Y 8.53 4.20 0.00 3.15 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 69 T 7.56 3.83 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 1.06 0.00 0.00 70 T 7.54 3.94 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 0.79 0.00 0.00 71 G 7.76 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 72 Q 7.51 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 73 P 0.00 4.59 0.00 2.06 2.07 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 74 V 8.97 4.48 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 -0.33 0.00 0.00 0.90 0.00 0.00 75 R 9.18 4.74 0.00 1.74 1.72 0.00 2.68 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.37 0.00 76 I 8.83 4.63 1.89 0.00 0.00 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 1.27 0.78 0.94 0.00 0.00 77 Y 8.77 5.01 0.00 2.96 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 78 Y 8.67 5.18 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 79 E 8.71 4.92 0.00 1.77 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 2.14 2.17 0.00 80 P 0.00 5.18 0.00 2.16 2.27 0.00 3.50 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 81 G 8.48 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 82 V 7.75 3.52 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 -0.32 0.00 0.00 0.88 0.00 0.00 83 W 7.19 4.83 0.00 3.40 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.41 4.55 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 1.28 0.00 0.00 85 Y 8.10 4.27 0.00 3.00 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 86 P 0.00 4.18 0.00 2.00 2.01 0.00 3.32 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 87 P 0.00 4.12 0.00 1.91 1.99 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 88 F 7.95 3.97 0.00 3.36 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 89 V 7.84 3.91 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 0.91 0.00 0.00 1.20 0.00 0.00 90 K 7.90 4.00 0.00 1.86 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 91 A 7.66 4.14 1.21 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 92 L 7.69 4.26 0.00 1.09 1.06 0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.37 4.32 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 1.40 0.00 0.00 94 S 8.36 4.86 0.00 4.06 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 95 N 8.26 4.92 0.00 2.80 2.80 0.00 0.00 6.70 7.93 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 96 A 8.55 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.94 4.53 0.00 1.59 1.59 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.95 4.00 0.67 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 -0.61 0.00 0.00 0.50 0.00 0.00 99 G 7.48 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 0.00 100 L 8.26 5.85 0.00 1.79 1.99 1.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.72 5.09 0.00 3.90 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 0.00 102 T 8.88 4.25 4.29 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 1.50 0.00 0.00 103 C 8.50 5.53 0.00 2.91 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 0.00 104 T 9.03 4.15 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 0.00 105 T 7.30 4.75 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 1.21 0.00 0.00 106 S 8.68 4.24 0.00 3.97 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 0.00 107 T 7.31 4.39 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 1.16 0.00 0.00 108 E 8.29 4.65 0.00 2.01 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 2.23 2.39 0.00 109 C 8.39 5.34 0.00 2.89 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 0.00 110 F 8.70 4.55 0.00 2.93 3.07 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 0.00 111 G 8.14 3.42 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 0.00 0.00 0.00 0.00 112 P 0.00 4.55 0.00 1.74 1.89 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 113 D 8.28 4.60 0.00 2.59 2.58 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 0.00 114 R 8.75 4.84 0.00 2.07 1.77 0.00 3.23 0.00 0.00 3.43 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 115 K 7.93 4.79 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.29 7.81 116 K 8.77 4.17 0.00 1.75 1.78 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81