NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3636 0.0000 0.0000 62.5749 32.5724 179.9119 6 A 4.1340 8.7052 129.1374 55.2769 18.0510 178.3959 7 D 4.4148 8.8826 121.1754 58.8740 40.3793 182.1006 8 T 4.1212 7.9354 116.4800 66.4344 68.0584 176.5894 9 A 4.0645 7.8652 124.0521 55.7059 18.0819 180.5647 10 R 3.5943 8.2496 119.3249 61.6474 29.5667 180.0596 11 Y 4.4527 8.3875 120.9727 60.8456 38.6544 178.1148 12 N 4.3558 8.2959 117.4280 56.3055 38.6578 177.4705 13 R 3.8810 7.3731 116.8342 58.7301 29.6406 178.7690 14 F 4.6963 7.4086 118.4008 60.2111 38.9297 177.8807 15 V 3.1624 7.5934 117.9405 65.5359 31.1248 177.9804 16 A 4.0824 7.6522 120.8674 55.0751 17.9804 179.2495 17 D 4.2891 7.7765 116.4558 57.3594 40.9676 178.4369 18 L 3.7290 7.2562 119.2587 58.2749 42.1646 178.8618 19 F 4.7451 7.6615 116.3436 59.7976 40.3993 176.9725 20 G 4.3420 8.3936 107.8375 44.4649 0.0000 173.5127 *23 A 4.5822 7.6158 124.8157 52.6266 21.4149 178.8831 24 Y 4.1610 8.3101 116.5442 60.6556 38.7915 178.0139 25 G 3.6418 8.1828 106.2835 47.7363 0.0000 175.4255 26 E 4.1526 8.0666 120.2672 59.0723 29.6542 178.6539 27 L 3.8353 7.8735 120.3411 58.3512 41.9903 179.3207 28 S 3.8606 7.9966 115.0142 61.3588 62.7400 176.4471 29 A 3.3130 7.9115 123.5236 54.7232 18.1310 179.1654 30 F 4.2095 8.1941 119.1367 61.7405 39.3355 177.2641 31 E 3.3619 7.7402 117.5115 59.2502 29.0333 179.7193 32 R 3.8676 7.5722 116.7631 59.3453 29.9694 178.8549 33 F 4.6898 8.4471 117.8955 60.8399 38.6266 177.9594 34 S 3.9081 7.7668 113.5040 61.1098 62.6857 175.9326 35 A 4.1678 7.4058 121.8868 53.5843 18.2713 177.1425 36 D 4.5542 7.5522 117.2270 54.4798 41.3414 178.7451 37 A 4.0596 7.9168 125.8813 54.8871 18.7250 180.8576 38 R 3.8306 7.7249 111.4807 59.4369 29.2410 177.4115 39 Y 4.5196 7.1646 114.7946 59.5188 38.2798 176.1675 40 S 2.7972 7.8010 117.4907 57.8967 63.2936 173.7543 41 P 3.9469 0.0000 0.0000 64.5981 31.2906 176.2347 42 T 4.5730 6.7117 104.4159 58.9478 71.6224 173.8060 43 L 4.0016 8.1944 122.8535 58.1600 42.0726 178.4356 44 H 4.3358 8.1556 117.8147 59.0675 29.7193 176.2661 45 D 4.5339 7.9618 119.3369 55.8810 40.6346 178.5729 46 R 4.0727 7.9204 120.6706 58.4662 30.0857 178.5734 47 A 4.1932 7.8320 119.6867 54.8018 17.8190 179.4436 48 V 3.5948 7.5608 117.3216 66.5408 31.5899 178.2259 49 L 4.2169 8.1420 118.1305 57.0555 41.6077 179.6885 50 G 3.6578 7.7955 104.9300 47.9193 0.0000 176.0305 51 R 4.0217 8.1575 120.9727 58.9854 29.5880 179.2223 52 I 3.8119 7.6242 118.8381 64.3570 37.1903 178.4047 53 A 4.3439 8.5445 121.9181 55.2184 18.2524 179.8723 54 V 3.7430 8.2481 116.9448 66.2132 31.6692 178.1328 55 V 3.6192 7.9572 118.0293 66.2482 31.1771 177.7894 56 E 3.9914 8.0530 117.2146 59.4595 29.3508 179.0780 57 F 3.8764 8.1896 120.0688 61.4013 39.3934 177.3080 58 R 4.0596 8.2792 117.6372 59.4690 29.7541 178.7358 59 H 4.1772 8.2888 115.9745 59.0503 28.7454 176.8128 60 Y 4.3449 7.9223 122.6241 60.2036 38.4941 178.2944 61 E 3.2090 7.7852 119.0514 58.9998 29.6151 179.1530 62 L 3.7797 7.7052 120.3042 58.0871 42.1511 179.2758 63 V 3.2459 7.7051 118.2765 65.7852 31.4612 178.1310 64 S 3.8975 7.9434 115.1590 61.4785 62.5405 176.6084 65 A 3.8608 7.7393 123.3583 54.8663 17.8361 179.6545 66 R 3.6201 7.3028 115.9413 59.4952 30.3499 178.2345 67 L 4.1037 7.6196 118.7133 57.9410 41.4022 179.2047 68 E 4.0248 7.9543 117.6346 58.9151 29.7533 180.0884 69 A 4.2967 7.8678 121.2384 51.5440 18.4164 178.1403 *71 G 3.8070 7.8764 107.5367 46.4721 0.0000 173.0991 72 I 4.4257 7.7113 120.4508 58.8382 38.6171 175.4921 73 D 4.4263 8.5741 124.9905 53.9923 41.6058 176.7901 74 A 4.0576 8.9752 127.5784 55.5448 18.6872 179.0950 75 E 4.0655 8.4822 113.4648 59.8719 29.7067 178.4381 76 D 4.4292 7.7600 116.1098 57.4757 40.9746 177.8532 77 A 4.2424 7.7895 119.5107 52.7260 18.2937 178.7638 *79 L 4.1009 8.0108 122.9793 56.0622 43.6503 177.2812 80 P 3.9779 0.0000 0.0000 64.5709 31.4020 176.8053 81 F 4.6683 7.4999 114.8218 57.3461 40.0275 177.2947 82 Q 2.9490 7.7366 122.3443 58.7663 28.7245 177.8863 83 A 3.9958 7.8365 121.0959 55.0713 18.5086 179.3866 84 A 4.2181 7.8637 120.1399 54.8223 18.7612 179.9143 85 V 3.7619 8.1123 116.8437 66.3192 31.6480 177.9766 86 D 4.5784 8.6951 118.9291 57.5200 40.7459 178.0984 87 Y 3.9906 8.3108 120.0273 60.6518 38.6155 177.6792 88 F 4.2355 8.2720 120.2011 62.0194 39.8415 176.5938 89 H 4.1855 8.4663 116.8566 58.1714 28.2754 177.9956 90 S 4.2027 8.1443 115.1454 60.7085 62.9103 175.7101 91 R 4.3478 7.3015 119.5556 55.9268 31.0834 176.2909 92 T 4.5722 7.5174 109.6718 60.5949 68.7639 174.6750 93 R 4.2986 8.1083 120.6553 55.6708 30.7051 175.5060 94 P 3.8482 0.0000 0.0000 62.7148 31.8017 176.3369 95 A 4.3615 8.4429 123.7572 52.2636 20.1262 176.3892 96 D 3.4220 6.5568 114.6063 50.4155 43.1359 175.7181 97 W 4.3776 8.3395 128.0150 61.2211 30.1941 177.3243 98 Y 3.9526 7.5606 114.4807 60.9176 37.4899 177.4848 99 E 3.6364 8.2870 118.9727 59.1990 29.6193 179.3714 100 S 4.3926 7.7150 114.8448 61.4509 62.8336 177.9150 101 L 3.5780 7.2526 119.4060 54.9113 41.1462 179.0456 *103 K 4.3078 8.0973 122.1535 56.5789 34.2706 177.6300 104 A 3.6521 8.0342 120.5051 55.0901 18.0783 178.8785 105 Y 4.0732 8.1991 118.2416 60.9084 38.8490 178.5437 106 V 3.4255 7.8551 118.4996 66.0863 31.7325 177.9020 107 I 3.7143 7.9658 119.5320 64.3825 37.0373 177.9968 108 D 4.4011 8.3433 119.2339 57.4531 41.0759 178.4410 109 T 3.7577 7.8639 110.4975 64.7949 68.7671 176.8376 110 V 3.5320 7.8334 121.8292 65.4937 31.4455 178.1543 111 S 3.8143 8.1787 113.8794 61.2343 62.8306 176.3535 112 A 4.3845 7.8493 125.6244 54.4678 18.1541 179.2619 113 D 4.3075 8.0832 117.4725 57.3823 41.0190 178.5655 114 F 4.0213 8.3043 121.2799 61.7962 39.3567 176.8267 115 Y 4.2721 7.9217 116.1980 61.2711 37.4265 178.9489 116 R 3.9934 8.0264 117.8016 59.0687 30.1751 178.6058 117 A 4.1875 7.7073 120.1979 54.2138 18.6689 178.8163 118 I 4.0473 7.4321 110.4977 62.3596 38.1978 178.2250 119 S 4.1447 8.0321 117.8929 61.8449 62.5370 177.0750 120 R 3.9712 8.0444 115.8715 58.6863 29.3159 177.2282 121 Y 4.3683 8.2338 116.0433 57.6333 38.5795 175.6241 122 V 4.6178 6.8179 113.2370 59.2643 33.9682 175.6243 123 D 4.5925 9.2861 122.5114 53.1518 41.1665 177.4878 124 A 4.0796 8.5239 121.1436 55.2801 18.2197 180.0306 125 G 3.6236 8.1865 103.7560 48.3618 0.0000 175.9415 126 T 4.2543 8.6959 118.4337 66.3203 68.5203 176.9773 127 R 3.9425 8.3772 120.9778 59.4147 29.9920 178.1498 128 D 4.3189 8.2093 118.0369 57.0486 40.9998 178.2374 129 V 3.4847 7.2992 117.8785 66.0808 31.8621 177.6160 130 I 3.5082 7.6321 119.3239 64.4531 36.5615 177.8132 131 E 3.9133 8.5129 120.2924 59.7399 29.1207 179.0282 132 Q 4.0230 8.0465 116.9206 58.8234 28.7961 178.4216 133 I 3.5846 7.4443 120.0220 62.5687 37.4175 176.4541 134 Q 4.1685 7.3188 122.1088 56.3276 28.9607 177.5829 *139 T 4.3961 8.3558 113.7516 60.7717 71.1308 173.3316 140 T 4.0673 7.8958 116.2978 67.2930 68.7062 176.7249 141 E 3.9993 8.1898 119.9664 58.9445 29.3575 179.2012 142 V 3.6012 7.8800 118.1934 66.2335 31.6808 177.9911 143 L 3.9438 7.4975 118.1573 57.6513 41.4414 179.4595 144 R 3.2983 8.2062 118.9876 59.2940 30.0058 178.2687 145 E 3.9953 8.5155 119.4559 59.0889 29.4648 178.9119 146 R 3.9624 7.7664 118.1743 59.1177 30.0362 179.0664 147 L 3.8685 7.6751 118.2919 57.7097 41.7142 179.0891 148 R 3.7941 8.1005 119.0524 59.8691 29.7321 178.4026 149 S 4.0894 7.9747 110.8398 61.2224 62.3929 175.6832 150 A 4.0709 7.7245 123.4605 55.0630 17.6168 179.6580 151 L 3.8219 8.2181 117.6839 57.6954 41.3918 179.5930 152 A 4.0405 7.8922 120.2106 54.3964 18.3544 178.3803 153 D 5.0006 7.3755 114.3184 53.3028 41.8609 176.8301 154 D 4.4211 7.5452 120.1880 51.5192 42.2480 173.5923 155 P 4.2846 0.0000 0.0000 65.3799 30.0874 178.4753 156 R 3.9222 8.1478 116.9242 59.0724 29.8818 178.8608 157 L 4.1768 7.7409 118.4637 57.5642 41.4656 178.9496 158 A 3.9527 7.6829 121.1072 55.6004 18.2380 179.8262 159 S 4.0710 7.9768 111.5063 61.5159 63.0984 176.5396 160 R 3.8998 7.5007 122.4217 59.2704 29.9429 178.5681 161 L 4.2302 8.5161 118.8323 57.3385 41.6413 179.3465 162 A 4.0661 8.2565 121.3190 55.1698 18.3348 179.6911 163 L 4.0260 7.8802 117.2163 57.5373 41.6541 179.5288 164 W 4.4551 8.5561 128.5261 60.4756 30.7248 177.9396 165 G 3.8414 8.6467 106.0980 48.2842 0.0000 175.7850 166 R 3.9712 7.9167 120.0349 58.7731 30.0005 179.0770 167 R 3.8376 8.0601 118.5720 59.2609 30.0920 178.5592 168 L 3.7461 7.5960 118.7693 57.5914 41.6005 179.2384 169 L 3.8952 7.9009 120.2689 58.0172 42.0244 179.1717 170 G 3.6209 8.5817 105.9001 48.0786 0.0000 175.5854 171 E 4.1578 8.5644 121.3674 58.6640 29.3840 179.4720 172 A 3.7975 8.1242 120.9522 55.0883 18.5241 179.5883 173 L 3.8800 7.9642 117.5594 58.3149 41.6494 179.9523 174 T 3.9019 7.9496 115.6220 66.8033 67.9765 176.7311 175 Q 4.0447 7.8965 118.3141 58.4738 28.5074 178.4090 176 A 3.9359 7.8652 121.3907 55.1009 18.5941 179.0552 177 Q 4.0137 8.1203 118.0437 59.3177 29.0754 178.5693 178 R 3.9633 8.0009 119.6466 59.5834 30.2027 178.6810 179 V 3.6887 8.2134 118.4059 65.7830 31.1707 178.1006 180 S 4.0403 7.5232 113.8060 61.3707 62.9108 175.6510 181 Y 4.2731 7.7268 118.8613 60.5220 38.0586 177.2607 182 E 4.2496 8.3814 118.8503 58.8621 31.0354 177.5970 183 H 4.7770 8.0581 115.9578 54.6973 30.7028 173.0411 184 A 4.1489 7.7839 123.7640 52.4890 18.8653 177.5535 185 F 4.6637 8.1651 114.1278 56.0045 41.8810 176.6023 186 L 3.5257 6.9154 123.0108 57.6813 41.5454 178.8130 187 G 3.4659 7.5749 104.3397 47.7382 0.0000 175.2043 188 S 4.1216 7.0628 114.7567 60.0686 62.7504 176.0571 189 L 4.3994 7.4122 121.3069 57.0636 42.0494 178.4725 190 I 3.4841 7.2164 111.4917 63.9233 38.0566 176.7320 *196 A 4.2424 7.8056 123.1861 51.3744 20.8401 178.4581 197 A 3.9650 7.7225 115.5269 54.8483 18.5561 179.6635 198 A 3.9063 7.9685 121.3770 55.7234 18.4312 180.1651 199 K 3.6733 8.0075 121.8075 60.1529 31.6230 180.4910 200 E 4.0802 7.8693 120.5523 58.9892 29.5901 178.6714 201 L 3.9225 7.8436 120.4223 58.0267 41.9973 179.1503 202 V 3.4987 7.9564 118.6441 65.8523 31.3364 178.2487 203 S 4.1835 7.8864 115.2964 61.2006 62.7673 176.8327 204 G 3.5269 8.1726 108.7456 47.3888 0.0000 175.7114 205 L 3.9214 7.9979 122.6454 57.9471 42.1487 179.0143 206 I 3.6216 7.8923 119.6559 64.4303 37.0846 177.9957 207 A 4.0691 8.1928 121.7876 55.4858 18.1347 180.0030 208 G 3.5654 8.0249 103.4819 47.7650 0.0000 175.9453 209 L 4.0018 7.8998 120.7254 57.5248 41.6312 179.4174 210 A 4.0398 8.1216 123.1774 55.7616 18.3424 180.1764 211 E 3.9582 8.1520 116.7808 61.3586 29.7819 181.3687 212 K 4.2216 8.0983 119.9406 59.1966 31.8092 178.9112 213 H 4.0493 8.0097 117.8385 59.6565 29.9156 177.3589 214 S 4.2519 7.9787 115.1685 61.2839 62.8749 176.6133 215 K 4.2127 8.1448 121.5526 59.1955 31.7909 180.5515 216 R 4.1803 8.0371 117.4531 56.7368 30.0172 178.9157 *218 T 4.4546 7.9267 117.2478 63.8901 70.4046 176.6170 219 Q 3.9849 8.1100 118.9277 58.6561 28.7468 177.2992 220 L 4.1376 7.6921 115.3702 55.0380 41.8348 177.3537 221 G 3.8091 8.2833 107.1689 46.0460 0.0000 173.4546 222 L 4.6248 7.7237 120.5447 53.2465 44.2257 177.4865 223 T 4.1675 8.2614 110.7802 61.2687 68.5142 174.3767 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 P 0.00 4.36 0.00 2.21 1.50 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 6 A 8.71 4.13 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 7 D 8.88 4.41 0.00 2.70 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 8 T 7.94 4.12 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 1.29 0.00 0.00 9 A 7.87 4.06 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 10 R 8.25 3.59 0.00 1.83 1.95 0.00 3.29 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 11 Y 8.39 4.45 0.00 3.26 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 12 N 8.30 4.36 0.00 2.84 2.87 0.00 0.00 6.84 7.68 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 13 R 7.37 3.88 0.00 1.77 1.95 0.00 2.50 0.00 0.00 2.84 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.06 0.00 14 F 7.41 4.70 0.00 3.13 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.59 3.16 1.94 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 0.50 0.00 0.00 0.20 0.00 0.00 16 A 7.65 4.08 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 17 D 7.78 4.29 0.00 2.73 2.05 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 18 L 7.26 3.73 0.00 1.64 1.49 1.28 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.66 4.75 0.00 3.04 2.88 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 20 G 8.39 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 0.00 0.00 0.00 0.00 *23 A 7.62 4.58 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.31 4.16 0.00 3.25 3.11 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 25 G 8.18 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.07 4.15 0.00 2.27 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 2.67 2.47 0.00 27 L 7.87 3.84 0.00 1.34 1.47 0.42 0.57 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 28 S 8.00 3.86 0.00 3.85 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 29 A 7.91 3.31 0.92 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 30 F 8.19 4.21 0.00 3.32 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 31 E 7.74 3.36 0.00 1.99 1.81 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 2.28 2.60 0.00 32 R 7.57 3.87 0.00 1.53 1.97 0.00 3.27 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.00 33 F 8.45 4.69 0.00 2.99 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 34 S 7.77 3.91 0.00 3.68 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 35 A 7.41 4.17 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 36 D 7.55 4.55 0.00 2.76 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 37 A 7.92 4.06 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 38 R 7.72 3.83 0.00 1.74 1.91 0.00 2.80 0.00 0.00 2.77 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 39 Y 7.16 4.52 0.00 3.32 3.15 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.05 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.33 0.00 0.00 119 S 8.03 4.14 0.00 3.92 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 0.00 120 R 8.04 3.97 0.00 1.76 2.00 0.00 2.94 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.08 0.00 121 Y 8.23 4.37 0.00 2.99 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 0.00 122 V 6.82 4.62 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 0.79 0.00 0.00 1.11 0.00 0.00 123 D 9.29 4.59 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.52 4.08 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 0.00 125 G 8.19 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 0.00 126 T 8.70 4.25 4.49 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 0.00 0.00 0.00 1.15 0.00 0.00 127 R 8.38 3.94 0.00 2.01 2.10 0.00 3.10 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 128 D 8.21 4.32 0.00 2.96 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 0.00 129 V 7.30 3.48 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 0.72 0.00 0.00 0.82 0.00 0.00 130 I 7.63 3.51 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.64 0.00 0.00 131 E 8.51 3.91 0.00 2.27 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 0.00 2.31 2.24 0.00 132 Q 8.05 4.02 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 133 I 7.44 3.58 1.64 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 0.54 0.75 0.00 0.00 134 Q 7.32 4.17 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.40 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 *139 T 8.36 4.40 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 0.00 140 T 7.90 4.07 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 141 E 8.19 4.00 0.00 2.01 2.03 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 2.45 2.34 0.00 142 V 7.88 3.60 2.28 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 1.09 0.00 0.00 0.96 0.00 0.00 143 L 7.50 3.94 0.00 1.94 1.71 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.21 3.30 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 145 E 8.52 4.00 0.00 2.12 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 0.00 2.31 2.39 0.00 146 R 7.77 3.96 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 147 L 7.68 3.87 0.00 1.64 1.56 0.68 0.59 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 0.00 148 R 8.10 3.79 0.00 1.87 2.02 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 149 S 7.97 4.09 0.00 3.91 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 0.00 150 A 7.72 4.07 1.16 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 0.00 0.00 0.00 151 L 8.22 3.82 0.00 1.76 1.66 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.89 4.04 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 0.00 153 D 7.38 5.00 0.00 2.61 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 0.00 154 D 7.55 4.42 0.00 2.65 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 0.00 0.00 0.00 0.00 155 P 0.00 4.28 0.00 2.17 2.07 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 156 R 8.15 3.92 0.00 1.97 1.95 0.00 3.16 0.00 0.00 3.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 157 L 7.74 4.18 0.00 1.77 1.58 0.82 0.56 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 0.00 158 A 7.68 3.95 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 0.00 159 S 7.98 4.07 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.50 3.90 0.00 2.05 2.09 0.00 3.03 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 161 L 8.52 4.23 0.00 1.72 1.79 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.26 4.07 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 0.00 163 L 7.88 4.03 0.00 1.98 1.83 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 164 W 8.56 4.46 0.00 3.46 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 0.00 165 G 8.65 3.84 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 0.00 166 R 7.92 3.97 0.00 2.06 1.99 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 167 R 8.06 3.84 0.00 1.86 2.02 0.00 3.15 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.56 0.00 168 L 7.60 3.75 0.00 1.72 1.60 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.90 3.90 0.00 1.55 1.76 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.58 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 0.00 171 E 8.56 4.16 0.00 2.12 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 0.00 2.49 2.38 0.00 172 A 8.12 3.80 1.14 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 0.00 0.00 173 L 7.96 3.88 0.00 1.84 1.71 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 174 T 7.95 3.90 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 1.22 0.00 0.00 175 Q 7.90 4.04 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.83 0.00 176 A 7.87 3.94 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 0.00 177 Q 8.12 4.01 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 178 R 8.00 3.96 0.00 1.96 2.03 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 179 V 8.21 3.69 2.22 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 1.30 0.00 0.00 1.09 0.00 0.00 180 S 7.52 4.04 0.00 3.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.73 4.27 0.00 3.02 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 0.00 182 E 8.38 4.25 0.00 2.09 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 2.36 2.34 0.00 183 H 8.06 4.78 0.00 2.94 3.11 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.78 4.15 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 0.00 185 F 8.17 4.66 0.00 3.39 3.44 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 0.00 186 L 6.92 3.53 0.00 0.83 1.26 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.57 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 0.00 188 S 7.06 4.12 0.00 2.72 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 0.00 189 L 7.41 4.40 0.00 1.67 1.73 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 190 I 7.22 3.48 0.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.25 0.40 0.00 0.00 *196 A 7.81 4.24 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.72 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 A 7.97 3.91 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 0.00 199 K 8.01 3.67 0.00 1.77 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.09 7.81 200 E 7.87 4.08 0.00 2.11 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 0.00 2.28 2.32 0.00 201 L 7.84 3.92 0.00 1.90 1.60 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 202 V 7.96 3.50 2.05 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 0.90 0.00 0.00 0.78 0.00 0.00 203 S 7.89 4.18 0.00 3.96 3.84 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 0.00 204 G 8.17 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.00 3.92 0.00 1.74 1.82 0.71 0.88 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 0.00 206 I 7.89 3.62 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.86 0.00 0.00 207 A 8.19 4.07 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 0.00 208 G 8.02 3.57 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 0.00 209 L 7.90 4.00 0.00 1.88 1.70 0.97 0.62 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 0.00 210 A 8.12 4.04 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 0.00 211 E 8.15 3.96 0.00 2.01 1.97 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 2.24 2.22 0.00 212 K 8.10 4.22 0.00 1.88 1.89 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 213 H 8.01 4.05 0.00 3.16 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 S 7.98 4.25 0.00 3.91 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 0.00 215 K 8.14 4.21 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 216 R 8.04 4.18 0.00 2.02 2.07 0.00 3.07 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 *218 T 7.93 4.45 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 1.22 0.00 0.00 219 Q 8.11 3.98 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 220 L 7.69 4.14 0.00 1.64 1.68 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 221 G 8.28 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 0.00 222 L 7.72 4.62 0.00 1.64 1.62 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 223 T 8.26 4.17 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.