NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6479 8.2644 122.4794 51.7856 20.3834 175.5797 2 W 4.9517 9.2962 128.9503 54.6903 34.3477 172.1073 3 K 4.3703 7.7398 127.2587 54.7715 35.1130 174.9546 4 G 3.4813 7.1330 112.0001 45.6708 0.0000 171.0663 5 E 5.2935 8.9855 120.0109 54.2989 32.8159 176.5069 6 V 4.4664 9.1815 126.0901 60.9938 34.0622 174.4972 7 L 4.5020 8.5259 128.7056 54.2228 42.1579 178.3311 8 A 3.1977 8.2890 127.2725 54.6980 18.2605 177.9431 9 N 4.9395 7.9081 110.4492 52.9538 37.6895 175.2143 10 N 4.6012 7.9568 119.0963 52.4353 37.7228 174.0850 11 E 2.7997 8.3926 125.5312 58.3383 30.0604 178.1610 12 A 3.8986 7.6935 120.3539 53.4729 18.7231 178.1388 13 G 3.8829 7.9488 101.1628 45.0553 0.0000 173.2746 14 Q 4.3217 8.9193 122.5452 54.4743 29.7713 174.9143 15 V 3.9755 8.2318 128.0103 62.8863 32.0668 175.9388 16 T 3.6593 8.2670 119.6025 60.2057 69.8840 175.1724 17 S 4.2636 8.0364 115.0568 59.6611 63.7798 174.1536 18 I 3.9774 7.3311 124.1612 61.2813 37.8653 175.1164 19 I 4.4590 8.2726 129.0654 59.8781 38.0412 175.1363 20 Y 4.0171 9.1029 130.7547 57.6483 39.6438 174.3198 21 N 5.2013 8.4728 124.3106 50.2558 42.2059 172.6625 22 P 4.2606 0.0000 0.0000 64.7181 31.7060 177.1108 23 G 3.9452 8.9001 111.0691 45.2504 0.0000 173.4355 24 D 4.2927 7.4685 119.7439 54.3245 41.4843 175.6380 25 V 4.8123 8.2996 122.6051 61.1410 33.9793 174.2666 26 I 5.2458 9.0456 120.7726 59.4831 41.2599 174.3671 27 T 5.1899 8.6958 119.7327 61.9641 72.2935 173.0197 28 I 5.6060 9.0210 125.7991 58.4346 41.2305 174.4009 29 V 4.7671 8.5710 125.9612 60.9816 34.1041 173.7400 30 A 5.2974 8.9375 129.6809 50.2188 21.4774 174.9170 31 A 4.3216 9.4637 122.3627 50.9670 23.5664 174.8031 32 G 3.5325 7.6629 103.3778 43.8278 0.0000 172.4848 33 W 5.8103 8.3895 117.6419 55.3487 33.4841 174.6135 34 A 4.9893 9.2799 124.0754 51.3649 22.8591 174.8376 35 S 5.4482 9.2464 113.5864 57.0951 66.1159 174.1523 36 Y 5.0112 8.7280 122.3299 56.2978 38.5537 176.7284 37 G 4.6983 7.6110 119.3962 46.5252 0.0000 171.9067 38 P 4.4143 0.0000 0.0000 61.8867 31.9754 176.7143 39 T 3.8959 8.3427 110.2138 64.6567 68.8810 175.1212 40 Q 3.8011 7.6913 121.1699 55.7638 29.5689 174.9048 41 K 4.9426 7.4125 119.9843 54.4110 36.1029 175.4570 42 W 5.3589 9.8295 121.7394 54.9758 33.9248 175.8110 43 G 4.0601 8.9319 108.9729 44.9683 0.0000 172.4441 44 P 3.5206 0.0000 0.0000 64.3331 31.1683 178.1169 45 Q 4.3420 7.4156 115.2362 54.9565 29.4716 177.5184 46 G 3.7868 8.0249 107.3064 45.0567 0.0000 172.5298 47 D 4.3714 7.9218 121.7262 52.1540 40.8130 178.4108 48 R 2.0000 8.0185 123.7243 57.2977 29.6175 177.2515 49 E 4.1827 8.1199 117.2749 56.9101 30.1082 175.4931 50 H 4.5712 7.3449 119.8774 53.9075 30.7592 173.1475 51 P 4.3003 0.0000 0.0000 62.3175 31.6323 175.6118 52 D 4.4864 8.4862 119.4901 54.3124 40.6843 176.3794 53 Q 4.3811 8.4176 127.2050 56.1890 29.5353 176.2487 54 G 4.2925 8.5051 104.6321 46.0684 0.0000 174.7630 55 L 4.2685 8.5481 118.8249 53.9763 42.4392 178.3456 56 I 3.6867 8.0857 115.4867 63.0959 37.8189 175.6464 57 C 4.6324 8.1554 120.4019 56.4605 32.7377 173.7924 58 H 4.7820 8.5434 123.4883 56.8630 28.6452 175.8048 59 D 4.6691 7.8897 118.2738 53.7123 40.8338 175.5489 60 A 4.3975 7.1599 119.7036 50.1376 22.5640 176.8215 61 F 4.5335 7.9675 117.9262 56.9341 39.8540 174.9190 62 C 4.0250 8.3906 122.9848 61.1731 31.4601 174.6319 63 G 3.3094 8.6463 115.2135 44.2626 0.0000 173.1617 64 A 4.5832 7.5551 121.7069 51.2291 20.3656 176.6736 65 L 4.7100 8.6618 122.3883 54.8590 43.6018 176.3439 66 V 5.1072 8.8594 118.4382 60.0028 36.8208 173.7578 67 M 5.2800 8.9442 117.7655 53.9420 35.0285 174.1764 68 K 4.8931 8.9721 118.7800 54.6683 35.9992 175.3979 69 I 4.6524 8.5860 124.2316 59.1460 39.5517 175.8278 70 G 3.7379 8.9310 117.7354 46.2927 0.0000 174.6174 71 N 4.9584 8.5359 116.5291 52.1968 38.7092 174.3210 72 S 4.3109 7.9417 112.6911 57.6423 64.0056 173.8093 73 G 3.8522 8.2323 110.5824 45.0551 0.0000 173.1427 74 T 4.3125 8.2056 109.3318 61.7486 70.1371 173.4623 75 I 4.7324 8.6727 124.9702 58.6686 40.6587 173.2726 76 P 4.3676 0.0000 0.0000 63.0069 31.5659 175.8260 77 V 3.8993 8.4218 122.3896 63.8338 34.1899 175.5554 78 N 4.0932 8.1077 118.2072 54.5229 37.4836 177.8123 79 T 3.8083 8.2977 115.2930 63.9910 68.9770 174.5417 80 G 4.3254 6.0591 108.5053 43.7191 0.0000 171.9910 81 L 4.5853 8.4330 119.3859 52.7927 44.9646 175.6146 82 F 4.9056 9.0607 125.7144 57.3379 40.7400 175.7757 83 R 3.8804 8.0809 129.1765 55.7636 27.9418 175.8721 84 W 4.7812 8.8427 127.9069 55.4082 33.1318 174.5127 85 V 4.5422 7.2397 123.6548 60.4293 33.7980 177.2715 86 A 2.9064 7.5985 129.8125 51.5179 17.8940 177.3810 *88 N 4.4011 8.4516 104.7915 54.4968 39.5948 174.0722 89 N 4.3750 8.0491 108.7521 54.4392 38.1953 174.1329 90 V 3.9383 7.0768 108.8187 60.9828 31.9119 175.3654 91 Q 4.7640 8.3877 118.4034 56.1515 30.8353 171.9898 92 G 3.8630 9.1092 103.6963 43.6471 0.0000 172.7245 93 A 4.4978 8.6023 119.9724 52.3661 19.7621 177.0652 94 I 4.5279 8.4356 122.9545 60.6597 38.8190 174.9200 95 T 4.8612 8.7389 124.6462 61.7672 70.8686 173.5184 96 L 5.0492 8.6014 126.6136 53.4322 44.0462 175.7635 97 I 5.0561 8.8461 123.2950 59.5022 41.9435 174.0018 98 Y 4.6159 8.8546 127.1424 57.5583 40.3867 173.9736 99 N 4.5929 8.9417 126.4390 53.7204 39.9933 173.0865 100 D 4.6371 8.2393 125.0654 52.8997 45.7170 173.4510 101 V 4.5229 7.9762 119.5515 60.6205 32.7989 173.6967 102 P 4.7083 0.0000 0.0000 64.4846 31.6285 176.7668 103 G 4.0408 9.6960 110.5756 46.1930 0.0000 173.9020 104 T 4.6689 7.9607 108.0877 61.5542 69.1587 174.9312 105 Y 4.1947 8.3162 121.3437 60.4877 38.3547 177.9561 106 G 3.7137 8.2757 108.3493 47.8329 0.0000 173.8268 107 N 4.7655 8.0961 115.8610 52.5821 37.8579 174.6024 108 N 4.9355 8.0918 117.5108 53.4849 39.6728 174.1210 109 S 4.4199 8.7727 114.1117 58.0772 66.5112 175.1535 110 G 3.6884 9.8903 109.4345 45.7477 0.0000 171.8015 111 S 4.5473 7.5221 111.0356 57.8371 66.9184 174.2097 112 F 5.5080 8.6582 118.6950 55.7896 42.0669 174.6725 113 S 4.9279 9.3431 119.0654 57.6108 63.8007 172.9370 114 V 4.9633 8.9920 126.8721 61.2865 35.0671 173.5209 115 N 5.5425 9.1094 124.8606 51.7393 41.0972 173.8590 116 I 5.1152 9.2014 123.9832 59.5754 40.7725 174.8620 117 G 4.5526 9.1734 113.6198 44.2624 0.0000 171.4926 118 K 5.0261 8.4984 120.2077 55.1177 33.3906 176.8200 119 D 4.7409 9.0514 125.7298 53.2016 42.7971 175.9407 120 Q 4.2021 8.4368 118.9615 56.3722 29.3408 177.0018 121 S 4.1428 8.2639 114.8857 58.7969 62.8834 173.8280 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 A 8.26 4.65 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 2 W 9.30 4.95 0.00 3.40 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 3 K 7.74 4.37 0.00 1.66 1.32 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 1.20 7.81 4 G 7.13 3.48 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 5 E 8.99 5.29 0.00 1.95 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 0.00 2.20 2.29 0.00 6 V 9.18 4.47 2.32 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 1.08 0.00 0.00 1.17 0.00 0.00 7 L 8.53 4.50 0.00 1.69 1.69 0.96 0.77 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 8 A 8.29 3.20 0.38 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 9 N 7.91 4.94 0.00 3.00 3.08 0.00 0.00 5.93 8.04 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 10 N 7.96 4.60 0.00 2.74 2.96 0.00 0.00 7.04 6.93 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 11 E 8.39 2.80 0.00 1.48 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 1.86 1.47 0.00 12 A 7.69 3.90 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 13 G 7.95 3.88 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 0.00 0.00 0.00 14 Q 8.92 4.32 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.77 2.41 0.00 15 V 8.23 3.98 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 0.78 0.00 0.00 0.89 0.00 0.00 16 T 8.27 3.66 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 -0.29 0.00 0.00 17 S 8.04 4.26 0.00 4.10 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 18 I 7.33 3.98 1.83 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 1.25 1.18 0.98 0.00 0.00 19 I 8.27 4.46 1.86 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 1.23 0.78 0.98 0.00 0.00 20 Y 9.10 4.02 0.00 3.13 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 21 N 8.47 5.20 0.00 2.56 2.53 0.00 0.00 6.54 8.25 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 22 P 0.00 4.26 0.00 2.00 2.02 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 23 G 8.90 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 0.00 0.00 0.00 24 D 7.47 4.29 0.00 1.68 2.35 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 25 V 8.30 4.81 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 0.95 0.00 0.00 0.96 0.00 0.00 26 I 9.05 5.25 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.11 1.18 0.00 0.00 27 T 8.70 5.19 4.23 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 1.34 0.00 0.00 28 I 9.02 5.61 1.87 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 1.10 0.29 0.91 0.00 0.00 29 V 8.57 4.77 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 1.00 0.00 0.00 0.98 0.00 0.00 30 A 8.94 5.30 1.06 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 0.00 0.00 31 A 9.46 4.32 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 0.00 0.00 0.00 0.00 0.00 32 G 7.66 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 33 W 8.39 5.81 0.00 3.39 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 34 A 9.28 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.25 5.45 0.00 4.12 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 36 Y 8.73 5.01 0.00 3.20 3.10 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 0.00 0.00 0.00 0.00 37 G 7.61 4.70 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 38 P 0.00 4.41 0.00 2.25 2.07 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 39 T 8.34 3.90 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 1.17 0.00 0.00 40 Q 7.69 3.80 0.00 1.73 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 41 K 7.41 4.94 0.00 1.45 1.84 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.33 7.81 42 W 9.83 5.36 0.00 3.57 3.16 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 43 G 8.93 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 0.00 0.00 0.00 44 P 0.00 3.52 0.00 1.80 1.14 0.00 3.23 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.35 0.00 45 Q 7.42 4.34 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 46 G 8.02 3.79 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 0.00 0.00 0.00 47 D 7.92 4.37 0.00 1.58 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 48 R 8.02 2.00 0.00 1.27 1.25 0.00 3.02 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 49 E 8.12 4.18 0.00 2.12 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 2.26 2.20 0.00 50 H 7.34 4.57 0.00 2.94 2.87 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.30 0.00 2.13 1.96 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 52 D 8.49 4.49 0.00 2.70 2.59 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 53 Q 8.42 4.38 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 54 G 8.51 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 0.00 0.00 0.00 0.00 55 L 8.55 4.27 0.00 1.53 1.71 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.09 3.69 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 1.05 0.00 0.00 57 C 8.16 4.63 0.00 2.88 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 58 H 8.54 4.78 0.00 3.17 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.89 4.67 0.00 2.59 2.59 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 60 A 7.16 4.40 1.07 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 0.00 0.00 61 F 7.97 4.53 0.00 3.23 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 62 C 8.39 4.03 0.00 2.63 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 0.00 0.00 0.00 63 G 8.65 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 0.00 0.00 0.00 64 A 7.56 4.58 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 65 L 8.66 4.71 0.00 1.72 1.57 1.13 1.11 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 66 V 8.86 5.11 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 0.63 0.00 0.00 0.99 0.00 0.00 67 M 8.94 5.28 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 68 K 8.97 4.89 0.00 1.65 1.69 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.35 7.81 69 I 8.59 4.65 1.86 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 1.12 0.84 1.03 0.00 0.00 70 G 8.93 3.74 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 0.00 0.00 0.00 71 N 8.54 4.96 0.00 2.69 2.79 0.00 0.00 6.78 7.57 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 72 S 7.94 4.31 0.00 3.99 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 73 G 8.23 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 0.00 0.00 0.00 74 T 8.21 4.31 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 1.23 0.00 0.00 75 I 8.67 4.73 1.74 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 0.88 0.81 0.00 0.00 76 P 0.00 4.37 0.00 1.83 1.87 0.00 3.58 0.00 0.00 3.53 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 77 V 8.42 3.90 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 0.91 0.00 0.00 0.74 0.00 0.00 78 N 8.11 4.09 0.00 2.80 2.27 0.00 0.00 6.84 7.03 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 79 T 8.30 3.81 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 1.16 0.00 0.00 80 G 6.06 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 81 L 8.43 4.59 0.00 1.49 1.34 -0.19 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.06 4.91 0.00 2.96 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 83 R 8.08 3.88 0.00 1.57 1.73 0.00 2.75 0.00 0.00 2.79 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 84 W 8.84 4.78 0.00 3.30 3.16 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 85 V 7.24 4.54 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 0.78 0.00 0.00 0.88 0.00 0.00 86 A 7.60 2.91 0.69 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 0.00 0.00 *88 N 8.45 4.40 0.00 2.77 2.83 0.00 0.00 6.55 6.92 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 89 N 8.05 4.38 0.00 2.79 2.84 0.00 0.00 7.33 7.71 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 90 V 7.08 3.94 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 0.74 0.00 0.00 0.88 0.00 0.00 91 Q 8.39 4.76 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 92 G 9.11 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.60 4.50 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 94 I 8.44 4.53 1.72 0.00 0.00 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 1.24 0.66 0.78 0.00 0.00 95 T 8.74 4.86 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 1.16 0.00 0.00 96 L 8.60 5.05 0.00 1.60 1.63 0.93 0.75 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 I 8.85 5.06 1.94 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 1.11 0.71 1.00 0.00 0.00 98 Y 8.85 4.62 0.00 3.17 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 99 N 8.94 4.59 0.00 2.83 2.64 0.00 0.00 6.28 8.32 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 0.00 100 D 8.24 4.64 0.00 2.19 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 0.00 101 V 7.98 4.52 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 1.27 0.00 0.00 0.92 0.00 0.00 102 P 0.00 4.71 0.00 2.13 2.04 0.00 3.89 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 2.08 2.17 0.00 103 G 9.70 4.04 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 0.00 0.00 0.00 104 T 7.96 4.67 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 1.26 0.00 0.00 105 Y 8.32 4.19 0.00 3.10 3.12 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 0.00 0.00 0.00 106 G 8.28 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 0.00 107 N 8.10 4.77 0.00 2.89 3.06 0.00 0.00 6.32 6.96 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 0.00 108 N 8.09 4.94 0.00 2.93 2.65 0.00 0.00 6.51 7.07 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 0.00 109 S 8.77 4.42 0.00 3.88 3.86 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 0.00 0.00 0.00 110 G 9.89 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 0.00 0.00 0.00 111 S 7.52 4.55 0.00 3.92 3.86 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 0.00 0.00 0.00 112 F 8.66 5.51 0.00 3.08 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 0.00 113 S 9.34 4.93 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 0.00 114 V 8.99 4.96 2.46 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 1.12 0.00 0.00 1.16 0.00 0.00 115 N 9.11 5.54 0.00 2.70 2.74 0.00 0.00 6.49 6.99 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 0.00 116 I 9.20 5.12 2.09 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 1.27 1.20 0.99 0.00 0.00 117 G 9.17 4.55 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 0.00 118 K 8.50 5.03 0.00 1.66 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 119 D 9.05 4.74 0.00 2.61 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 0.00 120 Q 8.44 4.20 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 121 S 8.26 4.14 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.