NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3166 8.2649 123.5823 51.4849 20.2297 176.8444 3 E 3.8491 8.3463 119.4947 57.6048 29.8681 174.0798 4 E 4.1481 9.5147 124.6967 56.7858 31.3520 176.0781 5 T 4.5849 8.0674 117.9234 61.4563 71.5575 175.3964 6 I 3.7640 8.1157 121.8524 64.3451 37.6513 177.7620 7 F 4.5587 8.2480 118.2947 60.6965 38.6482 177.4650 8 S 4.2387 8.3131 115.0168 61.6730 62.5626 176.8885 9 K 4.0882 8.0631 120.6264 59.1459 31.8165 179.5186 10 I 3.5830 7.6587 119.8248 64.3868 36.8350 178.2430 11 I 3.7466 7.7643 119.4495 64.5242 37.1106 177.9148 12 R 4.2683 7.8112 114.9998 55.2599 30.3388 176.4562 13 R 3.8279 7.6516 116.8150 57.3459 28.1509 177.1297 14 E 4.2937 8.4670 118.0427 57.3102 30.2193 176.8939 15 I 4.6974 7.2237 110.2809 57.7192 40.7782 173.3183 16 P 4.3469 0.0000 0.0000 63.1851 31.6629 175.7578 17 S 4.4220 7.8854 114.0755 57.9280 65.2611 174.3495 18 D 4.6969 8.0968 120.3281 52.0808 40.8582 173.3204 19 I 4.2035 7.9123 123.9794 60.6747 37.8243 176.8073 20 V 3.9972 8.6060 119.3600 63.1031 32.2083 175.9732 21 Y 4.6646 7.6100 119.5712 56.3271 41.6013 172.9349 22 Q 4.9477 7.5592 126.7802 54.7858 32.4233 173.2401 23 D 4.7225 8.5658 124.0414 52.2405 41.9952 174.4794 24 D 4.5148 8.9447 117.0761 57.2719 41.2205 177.0102 25 L 4.7469 8.9003 118.4523 55.2300 44.6447 177.1405 26 V 5.0836 8.0562 109.7000 59.9267 36.5469 174.7576 27 T 5.2816 9.1513 118.5744 61.8890 72.5544 172.9852 28 A 5.5306 9.2888 126.2978 49.2923 22.7372 174.8776 29 F 5.1018 7.4003 113.7576 55.6768 41.2978 173.5650 30 R 4.5542 8.6406 118.7587 55.9675 30.6589 176.4596 31 D 4.4996 8.5709 122.4964 53.9528 41.8002 176.6258 32 I 3.9036 8.4218 125.2337 63.4837 38.5240 176.2047 33 S 4.7055 8.3756 115.9765 55.4007 62.9276 171.2060 34 P 4.4376 0.0000 0.0000 63.0165 31.9486 177.3941 35 Q 4.4876 8.9581 118.6828 55.8104 29.6024 174.7997 36 A 4.6726 7.4747 119.2276 50.1119 22.1623 174.4568 37 P 4.3346 0.0000 0.0000 65.3586 31.7348 177.1491 38 T 4.5250 8.2572 115.7921 62.0878 70.6955 173.8653 39 H 5.1490 8.7504 126.4274 54.9146 32.2653 171.1805 40 I 4.9001 8.8974 125.9532 59.1570 41.0134 174.4789 41 L 4.7844 8.4900 126.6225 53.3413 43.7027 175.5283 42 I 4.8442 8.5154 124.5339 59.3513 39.9526 174.6228 43 I 4.9857 8.6570 121.0532 58.0530 40.7543 173.3112 44 P 4.8765 0.0000 0.0000 62.9654 31.5217 176.2423 45 N 4.6145 9.2497 120.1831 56.1817 39.1447 175.9954 46 I 4.0385 7.6872 119.0751 60.1032 38.1155 175.1685 47 L 3.6806 8.4470 127.0029 54.8736 42.2965 176.1879 48 I 4.4350 7.8598 126.7020 58.8082 39.3851 174.4296 49 P 4.9240 0.0000 0.0000 64.6559 31.5652 176.7274 50 T 4.7671 7.9160 105.8266 59.3877 72.2019 174.8928 51 V 3.6289 8.2647 120.8295 65.7368 31.6739 177.6624 52 N 4.4576 7.8329 116.5760 55.6325 38.3675 175.2779 53 D 4.7770 7.8872 116.3761 53.9882 41.2916 177.1397 54 V 4.0192 7.3687 113.0601 61.4077 32.2657 175.2514 55 S 4.5838 8.3858 114.9285 55.9530 66.1881 174.3366 56 A 3.9767 8.7674 121.1495 55.5229 17.5880 179.3501 57 E 3.9962 8.0592 113.9771 58.9361 29.9034 177.8224 58 H 4.7493 8.1260 116.4960 56.1514 29.1019 176.6371 59 E 3.9638 8.1511 122.1134 59.3513 29.1943 178.8170 60 Q 3.9316 8.1076 118.8047 59.2929 29.2187 178.2028 61 A 4.0123 7.9726 121.2022 55.1102 18.3900 179.4503 62 L 4.0727 8.3297 117.9278 57.8905 41.6944 180.0121 63 G 3.5486 8.4219 106.0226 47.7010 0.0000 175.6810 64 R 3.9923 8.2115 122.6279 58.8686 29.9587 178.3734 65 M 3.9884 7.9978 118.5011 58.5191 31.9454 178.8738 66 I 3.7524 7.3659 119.5589 64.4782 36.8376 178.5937 67 T 3.8696 7.8971 110.7757 64.6985 68.3273 176.8063 68 V 3.1704 7.8270 120.4674 65.4100 31.6723 177.3033 69 A 4.0262 8.0309 120.4409 55.1068 18.1029 180.2310 70 A 4.1110 7.7159 115.7972 53.0209 18.1463 179.3408 *72 I 3.8982 7.7694 123.1164 62.7788 39.5631 178.0319 73 A 3.6833 7.9228 122.1528 54.9617 17.9409 179.3210 74 E 3.8237 8.0188 117.7325 59.5127 29.5416 178.8100 75 Q 3.9741 7.9138 117.7805 59.2047 29.2692 177.4650 76 E 4.1953 8.3242 117.9760 56.8022 29.5567 177.7382 77 G 3.8912 7.7971 107.1984 46.0047 0.0000 174.1169 78 I 4.3375 7.4715 110.4161 60.0412 38.3217 177.2707 79 A 4.2499 8.1151 124.7830 55.7785 18.5394 179.0908 80 E 4.1862 8.2662 113.9532 59.6678 29.9247 178.1619 81 D 4.3278 8.1255 117.2040 57.6054 41.0098 175.2755 82 G 3.7075 8.0442 103.2934 44.3549 0.0000 171.4660 83 Y 4.7800 7.0395 115.4282 56.5243 40.2655 173.2159 84 R 4.7108 8.9203 120.0211 54.4675 33.5992 173.8096 85 L 5.3352 8.5710 124.3980 53.1341 44.2567 175.9025 86 I 4.7357 8.7604 123.5129 59.7753 41.5287 174.1409 87 M 5.1188 8.7005 124.9399 53.6293 34.8613 174.5995 88 N 4.9115 8.7759 120.7873 51.7055 40.5523 174.3954 89 T 4.6487 7.9020 118.3115 62.6960 72.0251 174.9719 90 N 4.7374 9.0449 123.9966 52.2242 38.6503 174.3651 91 R 3.9801 8.5620 116.5937 60.6947 30.3035 179.4323 92 H 4.3967 8.2615 113.2460 58.1487 28.8736 176.4305 93 G 3.7329 7.7586 105.7056 45.4496 0.0000 174.3528 94 G 3.8305 8.0273 107.7619 46.1599 0.0000 173.6130 95 Q 3.9572 8.0512 120.9193 55.9750 29.4016 175.6020 96 E 4.4935 8.7420 123.6931 56.6843 31.7507 176.1683 97 V 4.0833 7.4212 118.0947 61.3066 32.7000 175.9270 98 Y 4.1743 8.2831 129.6711 56.7426 36.8193 175.4096 99 H 5.1519 7.4618 118.3790 54.2206 33.0979 172.6017 100 I 4.0890 8.7574 121.8972 61.9278 37.9722 174.9911 101 H 4.8216 8.2479 116.4497 55.4295 30.8779 172.6064 102 M 4.7692 8.6898 120.2167 54.2419 34.5115 174.7916 103 H 4.9550 9.4050 121.0135 54.8526 30.7487 173.9130 104 L 5.0099 9.2611 126.6626 53.6707 43.5539 174.9972 105 L 5.1614 8.5759 126.6436 53.2385 45.3093 176.4387 106 G 4.1650 8.8985 109.0571 46.3130 0.0000 173.8947 107 G 4.2029 10.7013 108.2406 44.9034 0.0000 173.1546 108 R 4.4666 7.0843 113.0726 54.3593 31.6154 172.7309 109 P 4.2915 0.0000 0.0000 63.1084 31.5148 176.8462 110 L 4.1655 8.5784 122.4226 54.7063 42.4833 178.1680 111 G 3.8279 7.8880 106.7104 43.9475 0.0000 171.3448 112 P 4.3784 0.0000 0.0000 62.4956 32.0369 176.2395 113 M 4.1532 8.7703 121.6067 57.9820 32.3581 176.3495 114 L 4.7635 7.5134 115.0090 52.5664 45.3143 175.9454 115 A 4.2746 8.2919 123.8322 51.9465 20.2139 177.3072 116 H 4.3648 8.6466 117.3573 57.0014 30.8453 174.3338 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 A 8.26 4.32 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 3 E 8.35 3.85 0.00 2.05 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 2.30 2.31 0.00 4 E 9.51 4.15 0.00 1.97 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 2.35 2.35 0.00 5 T 8.07 4.58 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 0.98 0.00 0.00 6 I 8.12 3.76 1.88 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 1.68 1.37 1.02 0.00 0.00 7 F 8.25 4.56 0.00 3.02 2.99 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 8 S 8.31 4.24 0.00 4.07 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 9 K 8.06 4.09 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.55 7.81 10 I 7.66 3.58 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.32 0.00 0.00 11 I 7.76 3.75 2.07 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 1.60 0.66 0.96 0.00 0.00 12 R 7.81 4.27 0.00 1.81 1.97 0.00 3.33 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 13 R 7.65 3.83 0.00 1.94 1.98 0.00 3.13 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 14 E 8.47 4.29 0.00 2.05 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 2.31 2.40 0.00 15 I 7.22 4.70 1.84 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 1.37 0.59 0.90 0.00 0.00 16 P 0.00 4.35 0.00 2.02 2.00 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 S 7.89 4.42 0.00 3.72 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 18 D 8.10 4.70 0.00 2.57 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 19 I 7.91 4.20 1.87 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 1.49 0.62 1.00 0.00 0.00 20 V 8.61 4.00 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 0.67 0.00 0.00 1.00 0.00 0.00 21 Y 7.61 4.66 0.00 3.01 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.56 4.95 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 23 D 8.57 4.72 0.00 2.75 2.49 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 0.00 24 D 8.94 4.51 0.00 2.71 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 25 L 8.90 4.75 0.00 1.59 1.71 0.95 0.70 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 26 V 8.06 5.08 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 0.78 0.00 0.00 1.03 0.00 0.00 27 T 9.15 5.28 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 1.37 0.00 0.00 28 A 9.29 5.53 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.40 5.10 0.00 2.96 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 30 R 8.64 4.55 0.00 1.78 1.93 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 31 D 8.57 4.50 0.00 2.40 2.34 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 32 I 8.42 3.90 1.93 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 1.44 0.95 0.97 0.00 0.00 33 S 8.38 4.71 0.00 3.86 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 34 P 0.00 4.44 0.00 2.22 2.09 0.00 3.76 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 2.01 2.01 0.00 35 Q 8.96 4.49 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 36 A 7.47 4.67 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 37 P 0.00 4.33 0.00 2.06 2.15 0.00 3.88 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 2.21 2.13 0.00 38 T 8.26 4.53 4.35 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 1.22 0.00 0.00 39 H 8.75 5.15 0.00 3.29 3.12 0.00 5.63 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 40 I 8.90 4.90 1.80 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 1.20 0.75 0.82 0.00 0.00 41 L 8.49 4.78 0.00 0.56 1.04 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.52 4.84 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.84 0.00 0.00 43 I 8.66 4.99 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.49 0.00 0.00 44 P 0.00 4.88 0.00 2.14 2.13 0.00 4.06 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 2.22 2.04 0.00 45 N 9.25 4.61 0.00 2.64 2.98 0.00 0.00 6.99 7.27 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 46 I 7.69 4.04 1.90 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 0.80 0.94 0.00 0.00 47 L 8.45 3.68 0.00 1.57 1.58 0.89 1.06 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 48 I 7.86 4.44 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.89 0.00 0.00 49 P 0.00 4.92 0.00 2.26 2.21 0.00 3.81 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 50 T 7.92 4.77 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 1.49 0.00 0.00 51 V 8.26 3.63 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 0.99 0.00 0.00 0.92 0.00 0.00 52 N 7.83 4.46 0.00 2.73 2.89 0.00 0.00 6.94 7.91 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 53 D 7.89 4.78 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.37 4.02 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 0.73 0.00 0.00 1.05 0.00 0.00 55 S 8.39 4.58 0.00 3.93 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 56 A 8.77 3.98 1.33 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 57 E 8.06 4.00 0.00 2.08 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 0.00 2.02 2.10 0.00 58 H 8.13 4.75 0.00 3.28 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.15 3.96 0.00 2.11 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 2.35 2.44 0.00 60 Q 8.11 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 61 A 7.97 4.01 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 62 L 8.33 4.07 0.00 1.85 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.21 3.99 0.00 2.04 2.14 0.00 3.46 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 65 M 8.00 3.99 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 66 I 7.37 3.75 1.98 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 1.58 0.77 0.92 0.00 0.00 67 T 7.90 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 68 V 7.83 3.17 1.89 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 0.13 0.00 0.00 0.39 0.00 0.00 69 A 8.03 4.03 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 70 A 7.72 4.11 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 *72 I 7.77 3.90 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.82 0.00 0.00 73 A 7.92 3.68 0.61 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 0.00 0.00 74 E 8.02 3.82 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 75 Q 7.91 3.97 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 76 E 8.32 4.20 0.00 2.02 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 0.00 2.39 2.40 0.00 77 G 7.80 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.47 4.34 1.93 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 1.29 1.17 0.94 0.00 0.00 79 A 8.12 4.25 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 80 E 8.27 4.19 0.00 2.00 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 2.34 2.29 0.00 81 D 8.13 4.33 0.00 2.70 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 82 G 8.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.04 4.78 0.00 3.07 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 84 R 8.92 4.71 0.00 1.85 1.77 0.00 3.03 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 85 L 8.57 5.34 0.00 1.58 1.58 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.76 4.74 1.86 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 1.22 0.71 0.92 0.00 0.00 87 M 8.70 5.12 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 88 N 8.78 4.91 0.00 2.65 2.84 0.00 0.00 6.89 7.54 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 89 T 7.90 4.65 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 90 N 9.04 4.74 0.00 3.00 2.90 0.00 0.00 6.51 7.01 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 91 R 8.56 3.98 0.00 1.89 1.95 0.00 3.21 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 92 H 8.26 4.40 0.00 3.13 3.35 0.00 5.94 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 93 G 7.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.03 3.83 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 0.00 95 Q 8.05 3.96 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.70 0.00 0.00 0.00 0.00 0.00 1.36 1.98 0.00 96 E 8.74 4.49 0.00 1.98 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 2.47 0.00 97 V 7.42 4.08 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 -0.25 0.00 0.00 0.76 0.00 0.00 98 Y 8.28 4.17 0.00 3.16 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 99 H 7.46 5.15 0.00 3.05 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.76 4.09 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 1.46 0.77 0.99 0.00 0.00 101 H 8.25 4.82 0.00 3.13 3.31 0.00 5.50 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 0.00 102 M 8.69 4.77 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 103 H 9.41 4.95 0.00 3.00 3.22 0.00 5.60 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 0.00 104 L 9.26 5.01 0.00 1.65 1.63 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.58 5.16 0.00 1.59 1.48 0.85 0.36 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 0.00 106 G 8.90 4.16 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 0.00 107 G 10.70 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.08 4.47 0.00 1.88 1.87 0.00 3.05 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 109 P 0.00 4.29 0.00 2.06 2.04 0.00 3.67 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 2.03 2.11 0.00 110 L 8.58 4.17 0.00 1.62 1.70 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.89 3.83 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 0.00 112 P 0.00 4.38 0.00 2.24 1.99 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 113 M 8.77 4.15 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 114 L 7.51 4.76 0.00 1.63 1.52 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.29 4.27 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 0.00 116 H 8.65 4.36 0.00 3.29 3.26 0.00 5.77 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.