NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6408 8.1627 120.3493 54.7462 33.4976 174.4714 2 Q 3.7135 8.8147 124.7418 57.3085 29.5365 175.9261 3 F 4.2616 10.1266 124.0421 57.8338 38.4493 173.9337 4 K 4.7262 7.6858 120.7786 55.2463 34.0564 175.6052 5 V 4.7131 8.1765 123.5385 61.5621 33.6994 174.2622 6 Y 5.6810 9.3452 124.3437 55.4778 42.7198 174.4769 7 T 5.6361 8.4043 110.5293 60.2969 72.3478 175.1486 8 Y 4.2825 8.8547 127.3324 58.0889 38.6465 176.1286 *14 Y 4.1511 8.8265 109.3003 57.3714 39.9095 175.2580 15 R 4.7323 7.7932 118.2171 57.3986 35.4553 174.1725 16 L 5.1687 7.5440 118.0031 52.8266 44.8020 175.5237 17 F 5.1002 9.0097 120.9674 55.8058 43.9157 173.5498 18 V 4.7260 8.8967 122.9510 61.2274 33.5456 174.1901 19 D 4.9384 9.3214 128.9552 54.3100 41.9531 176.4691 20 V 4.3938 8.5759 118.0049 61.0168 32.9468 175.7994 21 Q 4.1942 8.2515 122.2936 54.8976 29.4647 175.6387 22 S 4.1673 8.3138 117.7904 58.5964 62.9580 174.8026 23 D 4.5070 8.4591 125.0075 56.2297 40.9715 177.4826 24 I 3.9304 7.3056 118.8108 62.0861 37.5373 175.6799 25 I 4.1953 7.1881 120.7278 59.7166 37.0956 174.5937 26 D 4.8319 8.3147 125.9614 52.6329 42.1424 177.0786 27 T 3.9652 8.7307 121.8941 65.7323 68.5696 173.5098 28 P 4.6185 0.0000 0.0000 62.4760 32.0798 175.9243 29 G 3.8018 7.7897 106.5941 48.2138 0.0000 173.2179 30 R 5.2481 7.6324 117.5611 54.8714 35.0187 174.3661 31 R 4.6649 8.6404 117.4692 55.0498 35.1088 174.7991 32 M 4.7275 8.6471 122.8199 55.3318 33.2913 175.7764 33 V 5.0928 9.0655 116.5499 59.6143 36.7756 174.5966 34 I 4.9432 8.7284 123.9682 58.7587 39.6897 173.6919 35 P 4.2672 0.0000 0.0000 62.6952 32.5688 175.1807 36 L 5.2404 8.0186 121.4016 53.2666 43.8557 175.7809 37 A 4.9885 8.9145 122.8765 49.7268 23.2641 175.6477 38 S 3.6156 8.7770 114.2734 58.1184 62.9798 175.2885 39 A 3.9831 8.4375 131.4918 55.0562 18.2978 179.5884 40 R 3.9588 7.6483 111.1465 58.7970 29.6382 177.8272 41 L 4.1360 7.7043 117.6395 55.9638 41.9074 176.8031 42 L 4.7113 7.3117 118.1482 52.4134 44.7127 176.6257 43 S 4.4444 8.2240 116.7961 57.6793 63.9891 174.7784 44 D 4.5217 8.4230 120.2654 56.2802 40.6294 177.9297 45 K 4.1066 7.4219 116.4885 58.1912 32.9599 177.2657 46 V 3.7882 7.3743 120.5624 61.7754 32.1174 175.2554 47 S 4.0624 8.9231 120.9061 59.3590 62.0256 174.9352 48 R 4.6028 8.5555 125.0373 57.1329 30.4736 178.6494 49 E 3.9622 8.2198 118.1886 59.2689 29.7808 178.7598 50 L 3.8612 7.6148 118.6182 57.0203 42.2386 176.0994 51 Y 4.9918 7.6845 116.0941 53.5857 38.2361 173.3171 52 P 4.5214 0.0000 0.0000 62.0920 33.3327 175.0055 53 V 4.7685 8.3188 122.3119 61.5256 33.0521 175.1936 54 V 4.7101 9.1346 120.5465 59.8614 35.9919 174.0085 55 H 5.4529 8.9014 118.5652 54.2908 31.4880 173.9950 56 I 4.4224 8.9751 124.0424 61.0044 39.1529 175.9128 57 G 4.2103 8.5322 118.0922 46.0236 0.0000 173.6926 58 D 4.8042 8.8162 123.8933 52.7651 40.5970 175.9347 59 E 4.3473 7.7050 119.7708 55.6494 31.0073 174.9309 60 S 5.0659 7.9486 117.2451 56.8928 65.4042 173.2492 61 W 5.4979 9.2896 123.1648 55.0540 33.5367 174.2954 62 R 5.0871 9.3908 121.8921 54.9443 31.9788 175.4142 63 M 4.5439 8.9134 123.4406 54.3947 33.1141 176.8073 64 M 4.9273 8.7953 128.2086 53.7960 30.9143 176.9863 65 T 3.8258 8.1379 119.8341 67.0140 69.1487 176.4150 66 T 4.1162 7.9130 107.5822 63.0194 69.0221 174.2793 67 D 4.9198 8.0630 121.9642 54.2656 41.2499 175.8698 68 M 4.4800 7.4769 119.1941 56.5986 32.7110 175.3269 69 A 4.7335 8.9788 125.0530 50.8073 23.5877 174.8709 70 S 4.8079 8.5561 114.6729 57.5324 63.5008 173.5687 71 V 4.4819 8.4572 127.0192 59.9438 34.7316 173.1028 72 P 4.6915 0.0000 0.0000 62.6084 31.9548 177.8550 73 V 3.5285 8.6246 115.8110 64.1780 31.6101 178.5292 74 S 4.1629 7.9167 113.2128 59.9504 63.0251 174.9551 75 V 3.9063 7.1888 119.1103 61.1769 31.7918 175.7683 76 I 3.8522 7.1455 122.9382 60.9964 37.9531 175.8644 77 G 4.1515 8.8058 120.3763 46.4495 0.0000 173.1647 78 E 4.4706 8.8520 122.1514 56.0567 31.2265 175.9940 79 E 4.2054 8.8443 124.2485 56.6006 29.6054 176.4473 80 V 4.2044 8.5429 120.6980 63.0180 33.4101 175.5440 81 A 4.5017 7.2787 119.6444 51.2881 22.8995 174.6350 82 D 4.9815 8.5612 117.8145 52.7997 43.6348 175.4769 83 L 4.8080 8.9283 127.4624 54.5032 42.6223 179.0224 84 S 3.9660 7.9538 117.2169 61.8448 62.8676 176.5204 85 H 4.3226 8.2436 113.9216 57.4297 28.6545 176.4756 86 R 4.3178 7.5078 119.1352 55.7626 30.0472 176.9686 87 E 2.9711 7.4263 122.4563 59.5175 29.3686 178.9388 88 N 4.2884 7.9293 115.4677 56.4851 38.6874 177.0306 89 D 4.3430 7.9050 119.7125 57.3393 41.0146 178.7356 90 I 3.7403 7.6963 120.3749 64.1972 37.0468 178.3632 91 K 4.0492 8.3132 120.6547 59.7202 32.0484 178.5991 92 N 4.3450 8.2805 116.5448 56.0703 38.4421 177.2425 93 A 4.1134 7.9829 123.4532 54.7392 18.5208 179.7733 94 I 3.5365 7.7564 118.1941 64.7039 37.1472 178.5682 95 N 4.6009 8.5447 117.5024 56.0858 38.3351 177.3499 96 L 3.9383 8.0686 122.0255 58.3130 41.9890 178.6546 97 M 3.7621 7.5118 116.9683 58.1541 32.0968 177.7427 98 F 4.0670 7.1729 116.1839 58.8850 39.5379 176.8071 99 W 5.0127 7.5919 114.6720 55.8197 29.7675 176.4733 100 G 3.8980 7.8156 108.0110 46.4068 0.0000 173.8781 101 I 4.0992 8.3197 122.4471 61.2709 37.4988 175.5695 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 M 8.16 4.64 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 Q 8.81 3.71 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.97 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 3 F 10.13 4.26 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.69 4.73 0.00 1.96 1.01 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.23 7.81 5 V 8.18 4.71 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 0.93 0.00 0.00 0.85 0.00 0.00 6 Y 9.35 5.68 0.00 2.93 2.80 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 7 T 8.40 5.64 4.36 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 1.25 0.00 0.00 8 Y 8.85 4.28 0.00 3.03 2.45 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 *14 Y 8.83 4.15 0.00 2.72 2.80 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 15 R 7.79 4.73 0.00 1.87 1.80 0.00 3.21 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 16 L 7.54 5.17 0.00 1.08 0.98 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.01 5.10 0.00 3.11 2.96 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 18 V 8.90 4.73 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 1.13 0.00 0.00 0.94 0.00 0.00 19 D 9.32 4.94 0.00 3.06 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 20 V 8.58 4.39 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 0.87 0.00 0.00 1.01 0.00 0.00 21 Q 8.25 4.19 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 22 S 8.31 4.17 0.00 3.86 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 23 D 8.46 4.51 0.00 2.69 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 24 I 7.31 3.93 1.86 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 1.29 0.49 0.90 0.00 0.00 25 I 7.19 4.20 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.93 0.00 0.00 26 D 8.31 4.83 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.73 3.97 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 1.18 0.00 0.00 28 P 0.00 4.62 0.00 2.12 2.10 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 29 G 7.79 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 0.00 0.00 0.00 30 R 7.63 5.25 0.00 1.59 1.84 0.00 3.16 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 31 R 8.64 4.66 0.00 1.57 1.68 0.00 3.22 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 32 M 8.65 4.73 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 33 V 9.07 5.09 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 0.77 0.00 0.00 0.86 0.00 0.00 34 I 8.73 4.94 1.95 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 1.34 0.86 0.99 0.00 0.00 35 P 0.00 4.27 0.00 1.90 1.88 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 36 L 8.02 5.24 0.00 1.18 1.57 0.52 0.71 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 37 A 8.91 4.99 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 38 S 8.78 3.62 0.00 3.66 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.44 3.98 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 40 R 7.65 3.96 0.00 1.84 1.97 0.00 2.92 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 41 L 7.70 4.14 0.00 1.82 1.70 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.31 4.71 0.00 1.48 1.43 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.22 4.44 0.00 3.97 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 44 D 8.42 4.52 0.00 2.66 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 45 K 7.42 4.11 0.00 1.93 1.92 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.36 7.81 46 V 7.37 3.79 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 0.57 0.00 0.00 0.87 0.00 0.00 47 S 8.92 4.06 0.00 3.95 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 48 R 8.56 4.60 0.00 1.94 1.97 0.00 3.47 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 49 E 8.22 3.96 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 50 L 7.61 3.86 0.00 1.44 1.43 0.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.68 4.99 0.00 3.04 2.81 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 52 P 0.00 4.52 0.00 2.09 1.99 0.00 3.87 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 2.11 1.93 0.00 53 V 8.32 4.77 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 0.80 0.00 0.00 0.95 0.00 0.00 54 V 9.13 4.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.07 0.00 0.00 55 H 8.90 5.45 0.00 3.04 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.98 4.42 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.89 0.00 0.00 57 G 8.53 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 58 D 8.82 4.80 0.00 2.77 2.79 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 59 E 7.71 4.35 0.00 2.21 1.47 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 2.20 2.29 0.00 60 S 7.95 5.07 0.00 3.60 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 61 W 9.29 5.50 0.00 3.16 3.04 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 0.00 0.00 0.00 0.00 62 R 9.39 5.09 0.00 1.71 1.88 0.00 3.33 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 63 M 8.91 4.54 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 64 M 8.80 4.93 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 65 T 8.14 3.83 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 1.03 0.00 0.00 66 T 7.91 4.12 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 67 D 8.06 4.92 0.00 2.88 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 68 M 7.48 4.48 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 69 A 8.98 4.73 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 70 S 8.56 4.81 0.00 3.89 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 71 V 8.46 4.48 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 0.66 0.00 0.00 0.63 0.00 0.00 72 P 0.00 4.69 0.00 2.14 2.07 0.00 3.59 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 1.89 1.87 0.00 73 V 8.62 3.53 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 74 S 7.92 4.16 0.00 3.89 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 75 V 7.19 3.91 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 0.28 0.00 0.00 0.35 0.00 0.00 76 I 7.15 3.85 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.26 0.30 0.00 0.00 77 G 8.81 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.85 4.47 0.00 1.96 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 0.00 2.43 2.28 0.00 79 E 8.84 4.21 0.00 2.03 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 2.10 1.88 0.00 80 V 8.54 4.20 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 0.75 0.00 0.00 0.84 0.00 0.00 81 A 7.28 4.50 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 82 D 8.56 4.98 0.00 2.57 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 83 L 8.93 4.81 0.00 1.78 1.54 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.95 3.97 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.32 0.00 3.25 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.51 4.32 0.00 1.74 1.81 0.00 3.20 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.60 0.00 87 E 7.43 2.97 0.00 1.34 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 2.22 2.26 0.00 88 N 7.93 4.29 0.00 2.75 2.82 0.00 0.00 7.10 8.08 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 89 D 7.91 4.34 0.00 2.75 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 90 I 7.70 3.74 1.90 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 1.43 0.88 1.13 0.00 0.00 91 K 8.31 4.05 0.00 2.09 1.97 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.61 7.81 92 N 8.28 4.34 0.00 3.04 2.86 0.00 0.00 6.94 7.26 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 93 A 7.98 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.76 3.54 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 1.17 0.00 0.00 95 N 8.54 4.60 0.00 2.91 3.08 0.00 0.00 6.71 7.49 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 96 L 8.07 3.94 0.00 1.82 1.83 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.51 3.76 0.00 1.58 1.71 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.80 0.00 98 F 7.17 4.07 0.00 1.96 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 99 W 7.59 5.01 0.00 3.40 3.25 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 0.00 100 G 7.82 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 0.00 101 I 8.32 4.10 1.91 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 1.45 1.01 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.