NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6236 8.3649 120.2575 53.1391 41.4529 174.5660 6 F 4.6755 8.3482 122.9145 56.5235 39.4816 171.3409 7 E 3.9973 8.1592 124.6510 55.3538 30.8971 173.7666 8 E 3.8873 8.1497 130.7510 55.8217 27.5466 173.0478 9 K 4.6665 8.4439 124.4332 54.2423 35.5855 173.8892 10 M 4.5140 8.4456 125.8496 54.3951 32.7662 175.3808 11 I 4.1201 8.6757 129.0681 63.1959 37.2428 175.9774 12 L 4.7305 7.5490 120.1855 54.8099 43.8584 173.4417 13 I 5.9596 8.5933 120.3789 58.6143 40.6949 174.8687 14 R 4.7431 8.6517 121.5715 54.3979 33.4418 173.9879 15 R 4.4021 8.5356 121.3354 55.2568 31.0798 175.4417 16 T 4.6143 7.9809 118.5347 61.5763 71.4695 173.4260 17 A 4.3951 7.3990 118.9363 51.6992 22.2604 175.7072 18 R 4.6517 7.6960 114.2797 54.8632 33.6102 173.7861 19 M 4.5991 7.9738 117.7055 53.6279 35.1655 175.7025 20 Q 4.3439 8.3116 117.3266 55.1725 32.8741 172.8056 21 A 3.9983 8.8646 127.2546 54.1495 18.6126 176.0124 22 G 4.2059 9.2441 113.9928 45.6065 0.0000 173.8663 23 G 3.9596 7.4512 106.8283 45.4685 0.0000 170.6891 24 R 4.7420 8.4103 117.1220 53.4597 31.7747 176.5471 25 R 4.3287 8.1940 124.1774 56.1172 32.5883 173.4324 26 F 4.8480 8.0486 116.6707 57.6446 43.2558 173.9744 27 R 4.7152 7.8503 117.1766 56.7660 33.0405 173.5212 28 F 5.3902 8.6796 122.5062 55.6642 43.1900 174.2374 29 G 4.3814 9.2751 107.5976 44.4096 0.0000 172.0178 30 A 5.1164 8.4448 123.6427 50.0008 22.3889 174.6850 31 L 5.2365 8.9008 125.4395 54.1695 43.9915 175.5833 32 V 4.8124 9.1045 126.0047 61.2538 35.5795 174.3159 33 V 4.7800 8.3037 125.8291 60.8403 34.8734 174.3051 34 V 4.7161 7.4911 121.5727 61.7663 34.9676 172.6929 35 G 4.2823 8.4385 109.8697 45.2928 0.0000 173.6689 36 D 4.7038 9.2244 125.5695 57.2501 39.3858 178.1608 37 R 4.8200 8.0615 117.0217 57.2479 28.0174 175.8885 38 Q 4.4858 9.6622 116.9393 55.0014 30.1742 175.6884 39 G 3.7512 7.7613 107.4485 44.9650 0.0000 172.8322 40 R 5.1485 7.8705 119.3877 53.2728 33.1393 175.1707 41 V 5.2154 7.5239 115.1700 60.1880 36.4443 173.8460 42 G 4.4846 8.1917 108.0367 44.5302 0.0000 171.3531 43 L 4.9333 8.4799 126.8865 53.5150 43.9201 175.7859 44 G 4.3037 9.2307 112.4399 44.6721 0.0000 170.8904 45 F 5.5745 8.9115 126.3799 56.1622 41.6926 174.5739 46 G 4.0083 9.0985 113.7980 44.2555 0.0000 171.3417 47 K 5.0953 8.1909 124.3596 54.6896 34.5358 175.4904 48 A 4.5554 8.5829 123.1209 50.5463 22.8380 175.6005 49 P 4.4440 0.0000 0.0000 64.3746 31.9780 175.9840 50 E 4.2170 8.2864 118.4030 53.3406 32.6873 174.9426 51 V 3.2411 7.3378 122.0435 65.7932 31.3288 176.3437 52 P 4.1697 0.0000 0.0000 65.6810 31.3435 178.2822 53 L 3.8832 7.9672 116.8235 58.0176 41.4834 179.3723 54 A 3.9649 7.8412 120.1121 55.3740 18.1360 179.7809 55 V 3.5378 7.5817 115.1764 66.7816 31.8852 177.0802 56 Q 3.9128 8.7491 119.2607 58.7963 28.6989 178.2660 57 K 4.0328 8.8527 118.9958 60.3577 32.4071 178.0366 58 A 4.0502 8.5563 119.5397 56.3029 18.1255 179.6230 59 G 3.7043 8.5513 101.6705 47.7045 0.0000 174.8391 60 Y 4.1551 8.0973 121.0779 61.1136 38.8198 177.9241 61 Y 3.8894 8.2010 117.2159 60.5700 37.6149 177.7316 62 A 3.8912 8.2948 122.1445 55.6997 18.2464 179.9057 63 R 3.8529 8.2562 115.3644 59.0827 30.2165 178.8208 64 R 4.1070 7.3125 117.6070 58.2405 29.8302 175.8657 65 N 4.8264 8.2272 122.3260 52.2442 40.2994 172.8465 66 M 5.0426 8.4102 124.6088 53.6791 36.8613 174.8769 67 V 4.5254 9.1659 119.6876 60.0002 35.4693 175.0112 68 E 4.3318 8.7015 120.9386 55.3802 29.5458 175.6334 69 V 3.8860 9.5203 127.8862 61.4281 31.5148 174.3446 70 P 4.4862 0.0000 0.0000 62.2225 29.4297 177.2166 71 L 4.1640 8.0074 126.7165 56.8255 42.7597 176.4218 72 Q 5.1240 8.8987 123.8422 57.5882 30.9980 174.5204 73 N 4.3069 9.4008 119.8128 53.2108 37.0134 175.5771 74 G 4.1324 8.2671 106.2194 45.4203 0.0000 173.4945 75 T 5.0364 7.1525 113.2292 61.6312 66.1560 176.0441 76 I 4.6871 8.0429 117.9683 58.6089 40.5222 172.2351 77 P 4.2736 0.0000 0.0000 64.9631 31.4893 176.2306 78 H 5.0417 7.8918 114.1878 52.1690 31.8328 172.2168 79 E 4.7444 8.5284 118.1485 55.5779 30.6688 175.6941 80 I 4.7731 8.4651 115.7684 59.2658 41.7701 173.6686 81 E 5.2739 8.6553 121.3434 54.7120 32.9311 175.5275 82 V 4.5260 8.7140 122.4095 61.2794 35.5418 173.5212 83 E 4.9542 8.8891 126.2519 54.7522 31.5127 175.5702 84 F 4.6485 9.5125 127.9241 56.6506 40.7711 177.6850 85 G 3.6302 8.8164 120.6312 45.8537 0.0000 172.0832 86 A 4.4990 8.8366 128.5137 51.7429 21.6179 177.1767 87 S 5.2416 8.0133 113.2113 55.7827 65.1336 173.2825 88 K 5.1170 8.8872 125.8859 54.5713 35.4075 174.4917 89 I 5.1161 8.8689 125.9313 59.2253 41.8210 173.7552 90 V 4.8458 8.7371 128.6091 61.0578 34.2780 174.0615 91 L 5.0716 8.7795 127.5950 52.9057 44.3905 175.3020 92 K 4.9195 9.5230 127.0665 53.5049 35.1396 173.4791 93 P 4.7925 0.0000 0.0000 62.8626 31.9086 175.4928 94 A 4.9099 8.1844 124.4052 49.6617 21.7339 176.2091 95 A 4.1370 8.4557 121.8362 50.9511 19.2257 176.0753 96 P 4.9102 0.0000 0.0000 63.7238 31.8488 175.1571 97 G 3.7032 9.3510 112.2521 46.1950 0.0000 171.9276 98 T 4.4099 9.2028 118.0516 66.2661 73.2370 173.9530 99 G 3.9912 7.0160 104.7011 43.7587 0.0000 173.1565 100 V 4.6831 7.8946 120.7956 61.0660 30.4802 172.9054 101 I 4.2370 8.1865 118.0323 60.0670 38.8674 175.1046 102 A 4.4856 7.5372 126.9068 51.7085 22.0469 175.3414 103 G 3.7687 8.2508 108.3649 44.8076 0.0000 174.7358 104 A 3.9579 8.7014 120.5774 55.3605 18.2437 179.7863 105 V 3.5380 7.8082 116.2146 65.8698 31.6919 176.3678 106 P 4.2884 0.0000 0.0000 65.6312 31.3146 178.1680 107 R 3.8008 8.3857 118.6322 59.4871 29.5566 177.7099 108 A 3.8935 8.1966 119.8943 55.8752 18.4713 179.2557 109 I 3.6343 7.9036 116.2322 64.7909 37.1597 178.6023 110 L 4.1920 7.7267 118.2650 57.3025 41.6869 179.0233 111 E 4.0812 8.5939 119.3947 59.5113 29.3945 179.3604 112 L 3.8345 7.7495 117.3272 57.3651 41.6426 179.0824 113 A 4.0497 7.5977 119.7921 52.6423 18.3061 178.1976 114 G 4.2380 9.0424 109.8379 46.0648 0.0000 174.0629 115 V 3.6366 6.4941 119.3144 58.3524 33.5903 175.6938 116 T 4.5367 9.1959 121.4295 63.4537 72.0684 172.6797 117 D 5.1724 8.0973 120.0930 52.3085 43.0493 174.0999 118 I 4.7356 8.6523 122.8178 59.3098 42.3021 173.0598 119 L 4.9141 9.6543 130.4300 53.5043 43.5173 175.6541 120 T 5.1675 8.4127 112.9621 59.7458 72.5412 172.7856 121 K 4.6544 8.9793 124.3308 54.8855 35.7798 174.7137 122 E 4.7302 8.9513 128.8018 55.0258 29.4542 174.9164 123 L 4.3202 8.7005 127.3529 53.5973 44.4486 176.7884 124 G 3.9143 8.5036 106.9790 45.5335 0.0000 173.0020 125 S 4.1179 8.7797 115.6543 59.1180 62.6495 175.8716 126 R 4.2842 8.3143 127.3142 56.1601 30.7367 176.5346 127 N 4.3406 7.9591 117.3571 53.9313 39.6671 171.7329 128 P 4.0625 0.0000 0.0000 66.5703 31.5651 178.3288 129 I 3.4526 7.6175 116.2711 65.2700 37.4728 177.8092 130 N 4.5020 8.1021 116.8103 56.1231 38.4884 177.7234 131 I 3.6840 8.2766 121.8048 65.1291 37.3459 177.3155 132 A 3.7238 8.2726 119.1399 55.8781 17.7949 179.2501 133 Y 3.5693 8.2921 112.0573 60.2805 38.3215 179.4401 134 A 3.9992 7.8338 121.5306 55.5353 18.6496 179.4937 135 T 3.8093 8.4242 114.6678 67.8435 68.4720 175.8742 136 M 3.9505 7.9750 120.0458 58.0782 31.6737 178.2560 137 E 3.9206 7.9082 119.0527 60.0476 30.0685 179.2756 138 A 4.0532 7.9060 120.6365 54.9252 18.4205 179.2035 139 L 3.8710 8.1414 116.1269 58.4829 41.7355 180.2145 140 R 3.8798 7.8105 117.2997 59.0565 30.1289 177.0977 141 Q 4.5775 7.8432 115.9651 54.8753 30.3282 175.2397 142 L 4.7232 7.9558 120.4981 53.8189 42.8949 176.6505 143 R 4.7042 8.0950 120.9666 54.1594 33.6870 175.4177 144 T 4.6365 8.8868 110.7351 59.3643 72.9332 174.9887 145 K 3.7318 8.6957 122.2844 60.0648 31.9488 177.8562 146 A 4.1152 8.0084 119.8597 54.1026 17.7704 178.0708 147 D 4.3975 8.5055 123.8407 55.4235 40.2396 178.2958 148 V 3.6572 8.1955 121.5794 65.4750 31.1390 176.6117 149 E 4.1105 8.4583 117.5469 58.2090 29.6796 178.9094 150 R 3.9261 8.0840 119.7013 58.6938 30.1833 177.1660 151 L 4.4435 8.0200 117.3343 54.8640 43.3252 177.0565 152 R 4.6136 7.2978 119.2426 55.0949 31.0541 176.1063 153 K 3.7118 8.3306 119.0597 56.6244 30.7915 178.2805 154 G 3.5087 9.2218 121.1020 47.0831 0.0000 174.2539 *155 E 4.1319 8.2087 120.0605 55.9835 30.4399 174.9358 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 5 D 8.36 4.62 0.00 2.73 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 6 F 8.35 4.68 0.00 3.06 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 7 E 8.16 4.00 0.00 2.17 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 2.34 2.32 0.00 8 E 8.15 3.89 0.00 2.22 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 0.00 2.19 2.33 0.00 9 K 8.44 4.67 0.00 1.89 1.62 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 M 8.45 4.51 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 11 I 8.68 4.12 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.95 0.00 0.00 12 L 7.55 4.73 0.00 1.69 1.76 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.59 5.96 1.94 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 1.08 1.27 1.04 0.00 0.00 14 R 8.65 4.74 0.00 1.86 2.04 0.00 3.00 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 15 R 8.54 4.40 0.00 1.20 1.67 0.00 2.25 0.00 0.00 2.81 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.00 16 T 7.98 4.61 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 1.23 0.00 0.00 17 A 7.40 4.40 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 18 R 7.70 4.65 0.00 1.86 1.96 0.00 2.69 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 19 M 7.97 4.60 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 20 Q 8.31 4.34 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 21 A 8.86 4.00 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 22 G 9.24 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 23 G 7.45 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 24 R 8.41 4.74 0.00 1.41 1.72 0.00 2.67 0.00 0.00 3.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 25 R 8.19 4.33 0.00 1.91 1.82 0.00 3.19 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 26 F 8.05 4.85 0.00 2.95 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 27 R 7.85 4.72 0.00 1.92 1.76 0.00 3.14 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 28 F 8.68 5.39 0.00 2.93 2.92 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 29 G 9.28 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 0.00 0.00 0.00 0.00 30 A 8.44 5.12 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 31 L 8.90 5.24 0.00 2.00 1.67 0.95 0.65 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 32 V 9.10 4.81 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 1.03 0.00 0.00 0.98 0.00 0.00 33 V 8.30 4.78 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 1.02 0.00 0.00 0.92 0.00 0.00 34 V 7.49 4.72 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 0.87 0.00 0.00 0.98 0.00 0.00 35 G 8.44 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 36 D 9.22 4.70 0.00 2.94 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 37 R 8.06 4.82 0.00 1.91 2.39 0.00 3.22 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 38 Q 9.66 4.49 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 39 G 7.76 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 0.00 0.00 0.00 40 R 7.87 5.15 0.00 1.68 1.54 0.00 3.44 0.00 0.00 3.61 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 41 V 7.52 5.22 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 0.89 0.00 0.00 0.85 0.00 0.00 42 G 8.19 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.93 0.00 1.49 1.33 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.23 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 0.00 0.00 0.00 0.00 45 F 8.91 5.57 0.00 2.91 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 46 G 9.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.19 5.10 0.00 1.53 1.67 0.00 1.18 0.00 0.00 1.24 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.15 7.81 48 A 8.58 4.56 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 49 P 0.00 4.44 0.00 2.07 2.19 0.00 3.72 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 2.06 2.14 0.00 50 E 8.29 4.22 0.00 1.90 1.59 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 2.09 2.08 0.00 51 V 7.34 3.24 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 0.95 0.00 0.00 0.31 0.00 0.00 52 P 0.00 4.17 0.00 2.13 2.04 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 53 L 7.97 3.88 0.00 1.64 1.73 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.84 3.96 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 55 V 7.58 3.54 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 56 Q 8.75 3.91 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 57 K 8.85 4.03 0.00 2.11 2.40 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.35 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.79 7.81 58 A 8.56 4.05 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 59 G 8.55 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 0.00 0.00 0.00 60 Y 8.10 4.16 0.00 2.97 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 61 Y 8.20 3.89 0.00 3.04 2.97 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 62 A 8.29 3.89 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 63 R 8.26 3.85 0.00 1.75 2.06 0.00 3.29 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 64 R 7.31 4.11 0.00 1.60 2.02 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 65 N 8.23 4.83 0.00 2.84 2.65 0.00 0.00 7.07 8.16 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 66 M 8.41 5.04 0.00 1.77 1.78 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 67 V 9.17 4.53 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 0.74 0.00 0.00 0.89 0.00 0.00 68 E 8.70 4.33 0.00 1.97 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 2.28 0.00 69 V 9.52 3.89 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 0.76 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.49 0.00 2.20 2.08 0.00 3.82 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 1.98 1.97 0.00 71 L 8.01 4.16 0.00 1.66 1.70 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.90 5.12 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.90 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 73 N 9.40 4.31 0.00 2.89 2.99 0.00 0.00 7.44 7.65 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 74 G 8.27 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 0.00 0.00 0.00 75 T 7.15 5.04 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 1.29 0.00 0.00 76 I 8.04 4.69 1.88 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 1.48 0.64 0.94 0.00 0.00 77 P 0.00 4.27 0.00 2.26 2.05 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 78 H 7.89 5.04 0.00 3.22 3.27 0.00 5.52 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 79 E 8.53 4.74 0.00 1.95 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 2.37 0.00 80 I 8.47 4.77 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.65 0.00 0.00 81 E 8.66 5.27 0.00 1.81 1.84 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 2.19 2.25 0.00 82 V 8.71 4.53 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 1.13 0.00 0.00 0.94 0.00 0.00 83 E 8.89 4.95 0.00 1.89 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 2.24 2.29 0.00 84 F 9.51 4.65 0.00 3.00 2.97 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 85 G 8.82 3.63 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 86 A 8.84 4.50 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 87 S 8.01 5.24 0.00 3.90 4.01 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 0.00 0.00 0.00 0.00 88 K 8.89 5.12 0.00 1.82 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 I 8.87 5.12 1.89 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 1.11 1.47 0.92 0.00 0.00 90 V 8.74 4.85 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 0.91 0.00 0.00 0.93 0.00 0.00 91 L 8.78 5.07 0.00 1.64 1.53 0.91 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.52 4.92 0.00 1.70 1.61 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 93 P 0.00 4.79 0.00 2.12 2.17 0.00 3.78 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 1.99 1.99 0.00 94 A 8.18 4.91 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 95 A 8.46 4.14 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 96 P 0.00 4.91 0.00 2.05 2.04 0.00 3.81 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 9.35 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 0.00 0.00 0.00 98 T 9.20 4.41 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 99 G 7.02 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 0.00 100 V 7.89 4.68 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 0.86 0.00 0.00 1.03 0.00 0.00 101 I 8.19 4.24 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 1.16 0.95 0.91 0.00 0.00 102 A 7.54 4.49 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 0.00 103 G 8.25 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 0.00 104 A 8.70 3.96 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 0.00 105 V 7.81 3.54 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 1.10 0.00 0.00 1.00 0.00 0.00 106 P 0.00 4.29 0.00 2.30 2.28 0.00 3.81 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 2.25 2.02 0.00 107 R 8.39 3.80 0.00 1.89 2.18 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 108 A 8.20 3.89 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 0.00 109 I 7.90 3.63 1.96 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 1.49 1.09 0.86 0.00 0.00 110 L 7.73 4.19 0.00 1.86 1.71 0.91 0.71 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 0.00 111 E 8.59 4.08 0.00 2.15 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 2.33 2.35 0.00 112 L 7.75 3.83 0.00 1.72 1.95 0.95 0.74 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 0.00 113 A 7.60 4.05 1.37 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 0.00 114 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 0.00 115 V 6.49 3.64 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 0.89 0.00 0.00 1.01 0.00 0.00 116 T 9.20 4.54 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 0.00 117 D 8.10 5.17 0.00 2.61 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 0.00 118 I 8.65 4.74 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 1.22 1.18 0.91 0.00 0.00 119 L 9.65 4.91 0.00 1.65 1.57 0.92 0.46 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 0.00 120 T 8.41 5.17 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 1.24 0.00 0.00 121 K 8.98 4.65 0.00 1.84 1.63 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.40 7.81 122 E 8.95 4.73 0.00 2.01 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 2.22 2.33 0.00 123 L 8.70 4.32 0.00 1.66 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.50 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 0.00 0.00 0.00 125 S 8.78 4.12 0.00 3.81 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 0.00 126 R 8.31 4.28 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 127 N 7.96 4.34 0.00 2.71 2.73 0.00 0.00 7.21 9.01 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 0.00 128 P 0.00 4.06 0.00 2.22 2.07 0.00 3.70 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 2.15 2.24 0.00 129 I 7.62 3.45 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.62 0.00 0.00 130 N 8.10 4.50 0.00 2.89 3.06 0.00 0.00 6.94 7.32 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 0.00 131 I 8.28 3.68 2.02 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 1.65 1.36 0.98 0.00 0.00 132 A 8.27 3.72 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 0.00 133 Y 8.29 3.57 0.00 2.71 1.68 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 0.00 134 A 7.83 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.42 3.81 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 1.18 0.00 0.00 136 M 7.98 3.95 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 137 E 7.91 3.92 0.00 1.96 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 0.00 2.35 2.56 0.00 138 A 7.91 4.05 1.37 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 0.00 139 L 8.14 3.87 0.00 1.79 1.72 0.88 0.83 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 0.00 140 R 7.81 3.88 0.00 1.84 2.15 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 141 Q 7.84 4.58 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 142 L 7.96 4.72 0.00 1.69 1.62 0.95 0.83 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 0.00 143 R 8.10 4.70 0.00 1.57 1.71 0.00 3.31 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 144 T 8.89 4.64 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 0.00 145 K 8.70 3.73 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.53 7.81 146 A 8.01 4.12 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 0.00 147 D 8.51 4.40 0.00 2.83 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 0.00 148 V 8.20 3.66 2.27 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 1.11 0.00 0.00 0.97 0.00 0.00 149 E 8.46 4.11 0.00 2.26 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 0.00 2.68 2.31 0.00 150 R 8.08 3.93 0.00 1.82 2.11 0.00 3.24 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 8.02 4.44 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.30 4.61 0.00 1.78 1.90 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 153 K 8.33 3.71 0.00 1.74 1.56 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.37 7.81 154 G 9.22 3.51 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 0.00 0.00 0.00 *155 E 8.21 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.