NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4554 8.1933 115.4064 58.1850 64.7117 173.9365 3 T 3.6060 8.3490 115.8340 66.7112 68.0748 175.3087 4 T 3.7726 8.1709 118.9773 66.5498 68.9995 175.9980 5 A 3.9277 7.5827 122.6403 55.3026 18.5406 179.1627 6 N 3.3977 8.0263 114.9641 56.3459 38.5491 177.7450 7 K 3.9658 8.2645 119.9354 59.5717 32.1422 179.3325 8 E 4.0033 8.2353 118.8098 59.1597 29.0625 179.3905 9 R 3.9172 7.8428 118.2855 59.7036 30.2472 178.0726 10 C 4.4617 7.8187 114.9878 62.9145 28.3682 175.8573 11 L 4.2519 8.0994 120.6018 57.4294 41.0426 179.2894 12 E 4.3603 7.9864 117.3765 56.8038 29.3892 178.9852 *14 V 4.1946 7.8597 120.9751 63.0160 33.5236 177.3089 15 A 3.9793 8.2663 121.4524 55.0180 18.1333 179.5010 16 A 3.9017 8.3248 119.5284 54.9520 18.4332 179.8862 17 W 4.1219 8.1808 117.0571 60.1105 29.0443 178.3130 18 N 4.5202 8.2555 114.8366 55.2456 37.9188 176.5788 19 R 3.4149 7.0246 117.7358 54.2992 30.5389 175.9454 20 W 3.7737 7.8470 117.6884 58.2736 27.1483 174.6971 21 D 4.7358 8.1553 119.8689 51.9441 40.4423 176.1846 22 V 3.2334 7.9517 125.0553 65.4057 31.8633 177.2583 23 S 4.0255 7.8899 113.1704 60.6503 62.8214 176.4883 24 G 3.5775 7.5719 110.7213 47.0108 0.0000 175.7205 25 V 3.6266 7.2518 120.4318 65.8761 31.5980 178.2363 26 V 2.0000 7.3311 117.7304 65.2338 30.8294 177.5941 27 A 3.9436 7.3300 118.6791 54.3830 18.4514 177.6244 28 H 4.6004 8.3002 113.9419 56.0032 29.4043 175.0572 29 W 4.9920 7.8571 120.3345 55.1594 30.0480 176.3296 30 A 4.2718 8.6319 125.8520 51.7536 18.3582 176.9062 31 P 4.4961 0.0000 0.0000 64.4710 31.8503 176.7332 32 D 4.9123 7.7910 118.3682 52.6955 39.8687 176.5958 33 V 3.7427 7.2344 119.5770 62.9937 32.1306 175.2331 34 V 4.0090 8.2296 123.4358 61.3630 33.8959 173.7899 35 H 4.8496 8.1039 124.1133 54.2095 31.3079 173.1758 36 Y 5.2221 8.4232 120.3764 55.8408 41.1295 175.2698 37 D 4.6465 9.0959 123.5550 53.5882 41.8889 177.2980 38 D 4.6493 8.8097 118.8403 55.8013 39.4210 176.8461 39 E 4.6152 8.1932 119.4416 56.1541 30.0242 175.9536 40 D 4.7484 8.4690 114.9855 55.1123 38.7841 173.0816 41 K 4.5987 7.5082 120.8732 54.5558 33.6775 174.2820 42 P 4.5546 0.0000 0.0000 62.9705 31.9023 175.6729 43 V 4.5452 8.4261 124.1726 60.5700 34.1156 175.5872 44 S 4.1621 8.5983 121.5718 57.9314 63.8664 174.7772 45 A 3.8928 8.7883 125.3429 55.4751 17.9260 179.4659 46 E 3.8869 8.1937 117.0193 59.7836 29.7119 178.9478 47 E 4.0065 8.0609 117.9306 59.1403 29.2999 179.2950 48 V 3.6511 7.5539 117.6098 66.1791 31.6212 178.0280 49 V 3.8278 7.8691 116.7093 65.8256 31.6235 177.4412 50 R 4.1785 8.1696 121.0700 60.1782 29.7686 179.9624 51 R 4.2781 7.8688 116.4311 59.3918 29.1436 179.6291 *53 N 4.8778 8.0783 119.0985 54.4283 40.6839 176.9179 54 S 4.1320 8.4769 112.0707 61.2893 62.4051 175.9413 55 A 4.2105 8.7747 123.7615 55.3601 17.9739 179.7843 56 V 3.7886 8.0133 115.2576 66.2301 31.8704 177.4367 57 E 4.0325 8.3301 118.8555 59.0460 29.3866 178.5262 58 A 4.2068 8.1939 122.4054 52.3564 19.5737 176.2207 59 F 5.3657 7.8302 116.6622 54.4719 39.2964 173.7327 60 P 3.8822 0.0000 0.0000 64.5069 31.4415 177.8167 61 D 4.9727 7.8264 116.5614 52.5191 39.6369 175.4901 62 L 4.2249 7.8522 121.4341 56.7893 42.7718 176.4230 63 R 4.8091 8.8286 125.4953 54.5625 33.4663 173.4650 64 L 4.8382 9.3549 126.9066 53.0810 43.6859 175.4958 65 D 4.6923 8.9930 125.3362 52.0766 42.8897 175.4812 66 V 3.7723 8.3600 127.1207 63.5256 31.3031 175.5956 67 R 4.3543 8.8361 128.2647 58.1860 31.2948 176.8842 68 S 4.6259 7.7383 110.6552 57.5518 65.9459 173.7594 69 I 4.7855 8.0604 124.5588 60.1095 40.3207 174.0604 70 V 4.5435 8.6032 122.0603 59.4739 35.4662 174.9806 71 G 4.1847 8.6077 112.2963 43.8990 0.0000 171.7519 72 E 4.6581 9.0125 120.9696 55.8457 34.0660 175.2780 73 G 3.8392 8.2396 114.5967 47.2123 0.0000 173.7324 74 D 4.8214 8.7957 124.4502 52.8829 39.9106 175.2823 75 R 5.2861 8.1824 119.7529 55.1341 33.3529 175.5204 76 V 5.0330 8.5158 120.8321 60.4131 35.7959 173.7249 *78 L 4.5324 8.3047 118.1628 54.7639 43.4879 175.9259 79 R 4.8193 8.4799 122.2484 54.6300 32.5418 174.6243 80 I 4.9744 8.6447 126.8515 59.8356 41.1590 174.5408 81 T 4.4388 8.5239 124.0089 62.8652 70.0686 173.6217 82 C 4.9692 8.4155 124.2014 57.8737 31.1643 173.1273 83 S 4.7239 7.8194 114.8662 57.2136 66.5352 172.5557 84 A 4.6749 8.3737 120.9925 51.9711 23.1650 175.0195 85 T 4.8397 9.6081 116.9385 62.2410 70.6326 174.8674 86 H 5.0276 9.2873 127.1418 56.0183 29.3428 174.7269 87 Q 4.5003 8.9287 123.4378 55.1309 31.1106 175.4281 88 G 4.3316 8.0132 105.7448 42.5626 0.0000 173.0496 89 V 4.1404 8.3245 119.5598 63.3314 32.0000 175.6850 90 F 5.0725 8.5838 129.7978 56.9905 39.6939 176.7233 *92 G 3.9581 8.1596 107.9759 44.5710 0.0000 173.5605 93 I 4.0134 8.0661 122.4552 59.9007 37.4378 175.3689 94 A 4.2818 8.5758 129.1216 51.3296 18.7863 175.1571 95 P 3.8545 0.0000 0.0000 63.1194 31.7428 176.4246 96 T 4.1916 8.3156 111.1834 61.3568 69.9152 175.8768 97 G 3.9688 8.3100 109.7937 45.0797 0.0000 173.7094 98 R 4.3106 7.5780 118.9936 55.4515 31.7540 175.7048 99 K 4.6495 8.5647 123.7752 56.4210 32.9820 176.3783 100 V 4.6451 9.2640 120.9156 59.6606 35.1228 174.9811 101 R 5.3703 8.7985 121.9018 53.3260 34.0641 174.1732 102 W 5.3220 7.7338 117.9601 56.0198 32.3105 172.8518 103 T 4.9936 9.0762 116.8964 61.9754 70.5623 173.2083 104 Y 4.9554 9.4335 127.1486 55.6917 42.0800 173.9051 105 L 4.8887 8.4685 126.4703 52.7737 44.8419 175.2200 106 E 4.8721 8.5271 122.9475 54.2727 32.6016 174.8965 107 E 4.8837 9.0617 125.0785 54.3664 32.2939 174.4475 108 L 5.3792 9.1892 126.7681 52.9641 45.3407 175.2675 109 R 5.2534 9.0676 123.0400 54.6867 32.8249 174.4722 110 F 5.4004 9.0960 124.3930 55.5000 42.0023 175.7274 111 S 4.4851 9.1585 117.5481 57.5706 63.9507 174.8088 112 E 3.8941 8.9773 121.7722 59.5021 29.2048 178.1445 113 A 4.0578 7.9456 119.1738 53.6899 18.5127 177.9152 114 G 4.0499 8.8843 104.2138 45.4483 0.0000 173.3936 115 K 4.8513 7.8847 118.0708 53.9556 34.2788 175.9314 116 V 3.5304 8.8079 123.1171 63.4630 31.7524 176.7165 117 V 4.0412 8.6549 121.4596 62.2198 33.7000 175.8830 118 E 4.7418 7.5932 118.9899 54.9383 34.2644 173.8165 119 H 5.2123 8.2884 122.8663 54.3268 33.6778 171.7965 120 W 5.4337 9.7134 125.5818 55.0618 32.3163 173.9964 121 D 5.2928 8.5854 122.9657 52.5843 42.4912 176.0337 122 V 4.5358 8.6490 123.0642 61.0095 34.9288 174.0441 123 F 5.1692 8.8815 124.8507 55.5605 41.9388 173.9882 124 N 4.9146 9.1017 121.4245 51.8987 41.4809 174.6709 125 F 5.3491 8.8835 122.9018 57.5323 40.2476 177.3156 126 S 4.3432 8.7682 119.4225 61.8110 62.5127 175.1253 127 P 4.2944 0.0000 0.0000 65.4363 30.9731 178.4619 128 L 3.9277 8.1019 118.9471 57.6278 41.7753 178.3404 129 F 4.6898 7.9906 115.7701 58.2377 39.3696 178.0071 130 R 4.0550 8.1539 118.6181 60.1894 30.1212 177.3204 131 D 4.4262 8.1616 119.5926 56.4890 40.6188 177.5586 132 L 4.2269 7.8496 122.4170 55.4522 41.9933 177.8552 133 G 3.8097 8.3316 106.8624 45.7027 0.0000 173.7598 134 V 3.5884 8.2895 115.0701 63.8019 29.7240 172.1852 135 V 4.1343 7.3397 109.2839 59.3824 32.9031 175.5996 136 P 4.2680 0.0000 0.0000 66.2928 31.0026 178.4581 137 D 4.4996 8.2628 116.9564 57.4234 40.6884 178.9872 138 G 3.4987 7.9450 105.4909 47.7130 0.0000 175.6423 139 L 4.1474 8.0159 121.0789 57.6134 41.7733 179.6968 140 K 3.9771 8.0865 118.3433 59.2744 31.9465 179.3143 141 L 3.9313 8.0358 120.4505 57.9985 41.6732 178.7576 142 A 2.8876 7.8930 120.8167 54.7773 17.9205 179.4962 143 A 3.7453 7.7943 117.9125 54.5773 18.4993 178.9959 144 A 4.1966 7.3956 117.5141 53.8677 19.2220 179.1044 145 L 4.2181 7.7477 116.8402 55.3883 41.8455 176.4134 146 E 4.6797 6.8480 117.8024 54.7757 32.3939 176.3849 *147 H 4.4711 8.7540 114.5739 54.8907 28.1650 175.2715 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 2 S 8.19 4.46 0.00 4.00 4.09 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 0.00 0.00 0.00 3 T 8.35 3.61 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 1.16 0.00 0.00 4 T 8.17 3.77 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 1.22 0.00 0.00 5 A 7.58 3.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.03 3.40 0.00 2.67 2.24 0.00 0.00 7.09 6.73 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 7 K 8.26 3.97 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.63 7.81 8 E 8.24 4.00 0.00 2.23 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 2.32 2.29 0.00 9 R 7.84 3.92 0.00 1.89 2.07 0.00 3.45 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 10 C 7.82 4.46 0.00 3.29 3.09 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 0.00 0.00 0.00 11 L 8.10 4.25 0.00 1.85 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.99 4.36 0.00 2.22 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 2.36 2.43 0.00 *14 V 7.86 4.19 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 1.02 0.00 0.00 1.08 0.00 0.00 15 A 8.27 3.98 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 16 A 8.32 3.90 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 17 W 8.18 4.12 0.00 3.60 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 18 N 8.26 4.52 0.00 2.71 2.69 0.00 0.00 7.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.02 3.41 0.00 1.56 1.78 0.00 3.23 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 20 W 7.85 3.77 0.00 3.71 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 21 D 8.16 4.74 0.00 2.65 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 22 V 7.95 3.23 1.93 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 0.88 0.00 0.00 0.75 0.00 0.00 23 S 7.89 4.03 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.57 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.25 3.63 1.79 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 1.18 0.00 0.00 0.41 0.00 0.00 26 V 7.33 2.00 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 0.53 0.00 0.00 -0.11 0.00 0.00 27 A 7.33 3.94 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 28 H 8.30 4.60 0.00 3.52 3.57 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 7.86 4.99 0.00 3.41 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 30 A 8.63 4.27 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 31 P 0.00 4.50 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 32 D 7.79 4.91 0.00 2.76 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 33 V 7.23 3.74 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.29 0.00 0.00 34 V 8.23 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.74 0.00 0.00 35 H 8.10 4.85 0.00 3.01 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.42 5.22 0.00 2.40 2.75 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 37 D 9.10 4.65 0.00 2.87 2.89 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 38 D 8.81 4.65 0.00 2.86 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 39 E 8.19 4.62 0.00 2.10 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 2.37 2.37 0.00 40 D 8.47 4.75 0.00 2.83 2.72 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 41 K 7.51 4.60 0.00 1.86 1.91 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 42 P 0.00 4.55 0.00 1.91 1.79 0.00 3.74 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 2.05 2.14 0.00 43 V 8.43 4.55 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 0.79 0.00 0.00 1.03 0.00 0.00 44 S 8.60 4.16 0.00 4.02 3.95 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 45 A 8.79 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 46 E 8.19 3.89 0.00 2.05 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 2.38 2.42 0.00 47 E 8.06 4.01 0.00 2.16 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 2.32 2.45 0.00 48 V 7.55 3.65 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 0.82 0.00 0.00 0.80 0.00 0.00 49 V 7.87 3.83 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 0.85 0.00 0.00 1.10 0.00 0.00 50 R 8.17 4.18 0.00 2.08 2.11 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 51 R 7.87 4.28 0.00 1.88 1.88 0.00 3.35 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 *53 N 8.08 4.88 0.00 2.92 2.95 0.00 0.00 6.66 7.33 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 54 S 8.48 4.13 0.00 3.94 3.95 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 55 A 8.77 4.21 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 0.00 0.00 0.00 0.00 0.00 56 V 8.01 3.79 2.33 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 1.03 0.00 0.00 1.16 0.00 0.00 57 E 8.33 4.03 0.00 2.12 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 2.30 0.00 58 A 8.19 4.21 0.72 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 0.00 0.00 59 F 7.83 5.37 0.00 3.27 2.91 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 60 P 0.00 3.88 0.00 1.95 2.00 0.00 4.03 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 61 D 7.83 4.97 0.00 2.86 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 62 L 7.85 4.22 0.00 2.11 2.15 0.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.83 4.81 0.00 1.92 1.64 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 64 L 9.35 4.84 0.00 1.62 1.52 0.63 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.99 4.69 0.00 2.65 2.54 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 66 V 8.36 3.77 2.07 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 0.82 0.00 0.00 0.94 0.00 0.00 67 R 8.84 4.35 0.00 1.78 1.93 0.00 3.38 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 68 S 7.74 4.63 0.00 3.83 3.61 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 69 I 8.06 4.79 1.87 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 1.35 0.80 0.90 0.00 0.00 70 V 8.60 4.54 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 0.81 0.00 0.00 0.90 0.00 0.00 71 G 8.61 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 72 E 9.01 4.66 0.00 1.97 1.73 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 2.20 2.25 0.00 73 G 8.24 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 74 D 8.80 4.82 0.00 3.17 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 75 R 8.18 5.29 0.00 1.77 1.87 0.00 3.06 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 76 V 8.52 5.03 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 1.32 0.00 0.00 1.00 0.00 0.00 *78 L 8.30 4.53 0.00 1.65 1.58 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.48 4.82 0.00 1.81 1.71 0.00 3.00 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 80 I 8.64 4.97 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.91 0.00 0.00 81 T 8.52 4.44 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 1.07 0.00 0.00 82 C 8.42 4.97 0.00 1.23 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 83 S 7.82 4.72 0.00 3.70 3.69 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 84 A 8.37 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 9.61 4.84 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 1.25 0.00 0.00 86 H 9.29 5.03 0.00 3.51 3.33 0.00 5.54 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.93 4.50 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 88 G 8.01 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 0.00 0.00 0.00 0.00 89 V 8.32 4.14 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 0.77 0.00 0.00 0.91 0.00 0.00 90 F 8.58 5.07 0.00 2.70 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 G 8.16 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 93 I 8.07 4.01 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.99 0.00 0.00 94 A 8.58 4.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 3.85 0.00 2.09 2.14 0.00 3.72 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 1.94 1.90 0.00 96 T 8.32 4.19 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 1.27 0.00 0.00 97 G 8.31 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 98 R 7.58 4.31 0.00 1.80 1.88 0.00 3.14 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 99 K 8.56 4.65 0.00 1.75 1.72 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.50 7.81 100 V 9.26 4.65 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 0.76 0.00 0.00 0.93 0.00 0.00 101 R 8.80 5.37 0.00 1.62 1.67 0.00 3.22 0.00 0.00 3.86 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 102 W 7.73 5.32 0.00 3.59 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 0.00 103 T 9.08 4.99 4.42 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 1.20 0.00 0.00 104 Y 9.43 4.96 0.00 3.09 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 0.00 105 L 8.47 4.89 0.00 1.42 1.33 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.53 4.87 0.00 1.57 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 2.12 1.75 0.00 107 E 9.06 4.88 0.00 1.87 1.75 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 2.20 2.17 0.00 108 L 9.19 5.38 0.00 1.76 1.29 1.05 0.58 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 0.00 109 R 9.07 5.25 0.00 2.14 1.87 0.00 3.30 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 110 F 9.10 5.40 0.00 3.05 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 0.00 111 S 9.16 4.49 0.00 4.04 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 0.00 112 E 8.98 3.89 0.00 1.97 2.07 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 2.33 2.41 0.00 113 A 7.95 4.06 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 0.00 114 G 8.88 4.05 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 0.00 0.00 0.00 115 K 7.88 4.85 0.00 1.94 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.42 7.81 116 V 8.81 3.53 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 0.79 0.00 0.00 0.68 0.00 0.00 117 V 8.65 4.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.97 0.00 0.00 118 E 7.59 4.74 0.00 1.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 119 H 8.29 5.21 0.00 2.94 2.60 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.71 5.43 0.00 3.12 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 0.00 121 D 8.59 5.29 0.00 2.85 2.70 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 0.00 122 V 8.65 4.54 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 0.82 0.00 0.00 0.91 0.00 0.00 123 F 8.88 5.17 0.00 2.54 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 0.00 0.00 0.00 124 N 9.10 4.91 0.00 2.71 2.65 0.00 0.00 6.95 8.05 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 0.00 125 F 8.88 5.35 0.00 3.46 3.20 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 0.00 126 S 8.77 4.34 0.00 4.04 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 0.00 127 P 0.00 4.29 0.00 2.40 2.13 0.00 3.83 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 2.18 2.20 0.00 128 L 8.10 3.93 0.00 1.86 0.97 0.20 0.60 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 0.00 129 F 7.99 4.69 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.15 4.06 0.00 2.00 2.01 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 131 D 8.16 4.43 0.00 2.69 2.53 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 0.00 132 L 7.85 4.23 0.00 1.64 1.71 0.85 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.33 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 0.00 134 V 8.29 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 135 V 7.34 4.13 2.11 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 0.87 0.00 0.00 1.02 0.00 0.00 136 P 0.00 4.27 0.00 2.17 2.14 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 137 D 8.26 4.50 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 0.00 138 G 7.94 3.50 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 0.00 139 L 8.02 4.15 0.00 1.94 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.09 3.98 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.60 7.81 141 L 8.04 3.93 0.00 1.81 1.43 0.88 0.70 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 0.00 142 A 7.89 2.89 0.43 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 0.00 143 A 7.79 3.75 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.40 4.20 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 0.00 145 L 7.75 4.22 0.00 1.24 1.00 -0.47 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 146 E 6.85 4.68 0.00 1.98 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 2.44 2.22 0.00 *147 H 8.75 4.47 0.00 2.96 2.87 0.00 7.23 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.