NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3992 8.0433 122.6804 54.9290 42.9458 174.8134 4 I 4.5671 8.2656 126.3069 58.1775 38.7120 170.1598 5 V 4.3685 9.8362 128.6135 61.1246 34.6779 173.5963 6 N 5.1557 8.8788 125.6488 52.0350 40.2102 174.2349 7 V 4.6712 8.7156 125.8625 61.5792 33.3174 174.5344 8 I 4.8616 8.8100 129.8491 59.6543 39.8939 174.3684 9 N 5.4100 9.4800 125.4050 51.7888 40.9166 175.5065 10 G 4.4055 9.0254 113.9845 43.6564 0.0000 171.1635 11 P 4.3940 0.0000 0.0000 64.5772 31.9235 177.3258 12 N 4.5552 9.3804 117.8475 53.7836 37.6490 176.1868 13 L 4.2608 7.6187 118.0900 56.5254 41.9875 179.0659 14 G 3.6910 7.9778 106.5768 47.6135 0.0000 174.3864 15 R 4.3646 7.8318 118.5743 55.8945 30.5891 176.1776 16 L 4.0682 7.4169 118.8662 55.9270 41.3541 176.1982 17 G 4.2073 8.3419 115.6405 46.1574 0.0000 174.7843 18 R 4.2338 7.5056 116.7756 54.2382 29.3118 176.7410 *25 G 3.9885 7.4111 112.7966 45.6310 0.0000 173.4104 26 G 4.9927 8.5657 120.7857 47.3410 0.0000 172.7517 27 T 4.1798 7.4955 117.7523 63.2341 68.9648 175.1788 28 T 5.0251 8.8688 119.3296 60.3356 71.5200 175.4682 29 H 4.0476 8.5743 120.1389 59.3518 29.9545 176.7143 30 D 4.3409 8.1199 120.2667 57.6302 40.7023 178.6293 31 E 3.9615 7.9514 118.9110 59.1447 29.4276 179.1787 32 L 3.8271 7.9755 120.6527 58.0122 42.0528 179.1443 33 V 3.3994 7.9365 118.3569 65.8934 31.5420 177.7866 34 A 3.9350 7.8163 120.2301 55.2122 18.1896 179.6669 35 L 3.9471 7.8943 117.4576 57.8438 41.6038 179.8548 36 I 3.6683 7.7379 119.7206 64.4836 37.1394 178.3520 37 E 3.9149 8.3054 119.6048 59.3647 29.3498 179.4993 38 R 3.8728 7.9061 118.5141 59.3310 30.2928 178.2336 39 E 3.9323 8.2486 119.0404 59.0225 29.5780 178.6569 40 A 3.9537 8.2696 120.8015 55.2175 18.5829 179.4265 41 A 3.9957 7.8931 119.2009 55.3913 18.1842 179.4943 42 E 3.9589 8.0133 116.6285 58.6704 29.7811 178.0044 43 L 4.5064 7.5581 116.1472 53.9441 42.0622 177.0563 44 G 3.8480 7.7399 106.6193 45.8388 0.0000 173.1370 45 L 4.8337 8.2334 118.5665 52.3598 45.2609 175.6391 46 K 4.5909 8.9579 121.3026 54.6598 34.6763 174.3280 47 A 5.0899 8.6416 129.0110 50.2321 21.1445 175.7074 48 V 4.0948 8.8146 123.5800 61.2287 33.4720 174.4728 49 V 4.7493 8.2026 128.3499 61.2242 33.2460 175.0080 50 R 4.5141 8.7716 126.2426 54.3279 34.3006 173.8709 51 Q 5.3002 8.6718 123.3790 54.6186 31.5818 174.3134 52 S 4.7786 9.1292 119.0033 57.5411 65.9604 174.4516 53 D 4.5656 8.8867 124.8506 55.3048 41.5503 176.8437 54 S 4.4225 7.9840 115.5342 56.9530 63.4154 173.9068 55 E 3.8501 8.7557 129.7186 59.3188 29.4736 178.4633 56 A 3.8802 7.8382 120.2794 55.1592 18.6075 179.1689 57 Q 3.3925 7.7177 117.8671 59.0043 29.0213 178.5557 58 L 3.9686 7.4891 119.8309 57.7163 41.6657 179.2270 59 L 3.8366 7.9968 119.2735 57.9916 41.5852 179.1269 60 D 4.3257 7.8150 117.5963 57.2946 41.1369 178.4231 61 W 4.5177 7.8741 118.9873 59.8620 28.9180 178.6663 62 I 3.8324 8.0287 119.9440 64.5484 36.4871 177.9964 63 H 4.2620 8.2813 117.1953 59.1350 28.5136 177.8132 64 Q 4.0263 8.2507 119.4054 59.0453 28.5832 178.7708 65 A 4.0064 8.1241 121.4954 55.0088 18.2343 179.5949 66 A 3.9988 8.4313 119.7648 55.4990 18.2613 179.6686 67 D 4.3233 8.2674 116.3090 56.8685 40.9977 177.8755 68 A 4.3412 8.1728 118.2691 50.7783 19.7231 176.4993 69 A 3.7287 7.4074 119.5776 53.2695 16.7932 177.0310 70 E 4.7715 8.2825 119.1285 54.6412 32.0305 176.0248 71 P 4.6223 0.0000 0.0000 62.8158 33.0717 175.2793 72 V 4.8874 8.5298 122.4689 61.2556 34.6155 174.1747 73 I 4.7190 8.9107 129.5049 59.8847 38.8893 174.2875 74 L 5.0633 9.0471 130.3759 53.1419 44.8504 174.5351 75 N 5.3003 9.4387 124.8499 51.0459 40.6269 174.2393 76 A 4.4500 8.7439 128.5442 51.3262 20.7407 178.1416 77 G 3.7982 7.9881 106.4204 46.2971 0.0000 177.8762 78 G 3.8006 8.7204 110.9075 48.1915 0.0000 174.7446 79 L 4.3133 7.7407 118.6362 56.4544 42.1803 179.2345 80 T 3.8755 7.9513 116.1625 66.6354 68.3699 175.3331 81 H 5.1570 8.0766 114.7054 55.3876 29.4753 175.7598 82 T 4.5356 7.8786 107.9299 61.5375 70.4196 173.1345 83 S 4.5521 8.0822 117.4772 56.6770 62.1599 174.5179 84 V 3.2832 7.9101 128.5284 65.5382 31.3007 177.4238 85 A 3.9395 7.8242 120.2435 55.1305 18.2118 179.2348 86 L 3.8863 7.9213 118.8042 58.0123 42.0676 179.0088 87 R 3.8984 7.6362 118.1729 59.7476 29.8396 178.2151 88 D 4.3367 8.2182 117.2454 57.3027 41.1701 178.4256 89 A 4.1935 8.0379 121.2788 55.4759 18.4381 179.5606 90 C 4.1817 8.3822 115.0553 62.6819 27.9701 175.8983 91 A 4.1675 8.1258 121.3882 54.1741 17.9857 178.4297 92 E 4.1651 7.8690 116.3275 56.7602 30.1356 176.6883 93 L 4.1562 7.3678 119.8529 54.9947 42.0872 177.1212 94 S 4.3720 8.6728 117.3529 59.6127 64.0424 174.2970 95 A 4.5419 7.6579 121.5316 49.9848 20.1076 175.4181 96 P 4.3977 0.0000 0.0000 63.1446 32.9323 175.2808 97 L 5.1541 8.8405 124.2343 53.4166 45.1912 174.9825 98 I 4.7383 8.5978 127.5233 59.4079 39.4405 174.4907 99 E 4.5945 8.9399 129.6457 55.7888 30.7917 175.4442 100 V 4.5923 8.8259 126.6749 61.3211 35.1030 173.7408 101 H 4.8206 8.9775 124.1352 54.1010 31.9497 174.2543 102 I 3.9245 8.7821 124.6421 64.2428 37.7722 176.6646 103 S 4.7544 7.8545 114.0398 56.3416 65.0297 173.4059 104 N 4.4547 8.3777 119.8740 53.1844 37.8697 175.9317 105 V 3.6703 8.1310 126.1163 63.9255 31.7955 176.7634 106 H 4.4627 8.1801 116.2458 56.3606 29.0065 175.3775 107 A 4.7009 7.7198 121.7078 51.7292 19.6954 177.3506 108 R 4.5659 7.2251 118.0531 56.5817 31.4175 175.8148 109 E 3.9837 8.2359 123.6785 56.8643 30.3592 177.3453 110 E 3.8716 8.6613 122.6939 59.2497 29.8554 179.1884 111 F 4.3146 7.7815 112.1528 59.3547 38.0263 176.1677 112 R 3.6382 6.7839 118.6153 57.5628 29.9934 177.1664 113 R 4.2221 7.7240 116.2434 56.2622 30.5811 175.4225 114 H 4.8410 7.9604 118.7881 54.0437 32.1643 172.1855 115 S 4.8138 8.0467 120.2149 56.6213 64.7222 173.4375 116 Y 4.2467 8.6162 124.8822 60.1293 38.0499 177.4472 117 L 4.3057 7.9094 119.7503 57.0597 41.9856 178.8639 118 S 4.2945 7.8877 116.6581 60.6951 62.6230 175.0571 119 P 4.3238 0.0000 0.0000 64.6726 31.1590 177.0512 120 I 4.2000 7.2692 108.2018 60.5271 38.4812 175.8033 121 A 4.3314 7.4027 124.0289 52.1556 19.2260 177.8658 122 T 4.0680 8.7305 118.1385 66.3355 68.8524 175.0790 123 G 4.1429 7.7023 106.0469 44.6816 0.0000 171.1163 124 V 4.8688 8.0974 118.9029 61.0199 34.3587 174.3694 125 I 4.4939 8.9710 129.0888 59.5189 39.4646 174.8825 126 V 4.6033 8.0424 126.1531 61.8935 34.4784 175.4072 127 G 3.9012 8.7976 114.6883 46.2090 0.0000 173.6986 128 L 4.5097 7.8396 116.7071 53.6269 42.8506 178.6985 129 G 3.8635 8.1262 108.3294 46.1089 0.0000 175.5984 130 I 3.9872 8.3583 118.4000 64.5207 37.0772 177.6182 131 Q 4.2531 8.2263 119.6002 58.2212 28.9216 177.9368 132 G 3.5786 7.9861 106.7626 48.2758 0.0000 175.2766 133 Y 4.0731 7.7919 118.7153 61.0103 37.8021 178.6912 134 L 4.1239 7.9287 119.4212 57.6946 41.7315 179.3832 135 L 4.0658 8.3958 119.2216 57.5899 41.3869 179.3285 136 A 4.0634 8.0691 120.8888 55.0719 18.2925 179.6764 137 L 4.0022 8.0658 117.6990 57.9607 41.4436 179.7290 138 R 3.9604 7.7417 117.8121 59.2897 30.1337 177.5649 139 Y 4.2223 7.9411 119.2509 60.8362 38.6171 178.2432 140 L 3.9398 7.7334 118.3339 57.4634 41.7472 179.0255 141 A 4.1432 7.8324 120.2466 53.7760 18.9175 177.6828 142 E 4.6543 7.5689 116.9027 55.3993 30.0258 175.8845 143 H 4.1510 7.7218 120.1635 56.3262 29.7558 174.0703 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 3 L 8.04 4.40 0.00 1.36 1.68 0.92 0.47 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 4 I 8.27 4.57 1.99 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 1.21 1.11 0.94 0.00 0.00 5 V 9.84 4.37 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 1.04 0.00 0.00 0.94 0.00 0.00 6 N 8.88 5.16 0.00 2.69 2.67 0.00 0.00 6.20 7.02 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 7 V 8.72 4.67 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 1.09 0.00 0.00 0.95 0.00 0.00 8 I 8.81 4.86 1.96 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 1.14 0.69 1.21 0.00 0.00 9 N 9.48 5.41 0.00 2.66 2.79 0.00 0.00 6.42 7.59 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 10 G 9.03 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 0.00 0.00 0.00 0.00 11 P 0.00 4.39 0.00 2.22 2.03 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 12 N 9.38 4.56 0.00 2.99 3.03 0.00 0.00 6.86 6.29 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 13 L 7.62 4.26 0.00 1.88 1.78 1.20 1.03 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 14 G 7.98 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 15 R 7.83 4.36 0.00 2.07 1.97 0.00 3.32 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 16 L 7.42 4.07 0.00 1.79 1.88 0.98 0.96 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 17 G 8.34 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 18 R 7.51 4.23 0.00 1.98 2.00 0.00 3.11 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 *25 G 7.41 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 0.00 0.00 0.00 26 G 8.57 4.99 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 0.00 0.00 0.00 27 T 7.50 4.18 4.25 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 1.20 0.00 0.00 28 T 8.87 5.03 4.25 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 1.22 0.00 0.00 29 H 8.57 4.05 0.00 3.20 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.12 4.34 0.00 2.72 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 31 E 7.95 3.96 0.00 2.10 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 2.31 2.30 0.00 32 L 7.98 3.83 0.00 1.71 1.66 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.94 3.40 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 0.94 0.00 0.00 0.74 0.00 0.00 34 A 7.82 3.93 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 35 L 7.89 3.95 0.00 1.83 1.71 0.91 0.90 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 36 I 7.74 3.67 1.88 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 1.47 0.58 0.87 0.00 0.00 37 E 8.31 3.91 0.00 2.02 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 2.28 2.39 0.00 38 R 7.91 3.87 0.00 2.04 1.90 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.25 3.93 0.00 2.25 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 2.38 0.00 40 A 8.27 3.95 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 41 A 7.89 4.00 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 42 E 8.01 3.96 0.00 2.23 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 2.32 2.35 0.00 43 L 7.56 4.51 0.00 1.84 1.68 0.98 0.73 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 44 G 7.74 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 45 L 8.23 4.83 0.00 1.57 1.57 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.96 4.59 0.00 1.73 1.61 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.48 7.81 47 A 8.64 5.09 1.18 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 48 V 8.81 4.09 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 0.84 0.00 0.00 0.87 0.00 0.00 49 V 8.20 4.75 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 0.75 0.00 0.00 0.82 0.00 0.00 50 R 8.77 4.51 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.11 0.00 51 Q 8.67 5.30 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 52 S 9.13 4.78 0.00 3.94 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 53 D 8.89 4.57 0.00 2.70 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 54 S 7.98 4.42 0.00 3.81 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 55 E 8.76 3.85 0.00 2.03 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 2.33 2.35 0.00 56 A 7.84 3.88 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 57 Q 7.72 3.39 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 58 L 7.49 3.97 0.00 1.86 1.74 0.96 0.88 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 59 L 8.00 3.84 0.00 1.73 1.58 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.82 4.33 0.00 2.68 2.55 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 61 W 7.87 4.52 0.00 3.66 3.05 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 62 I 8.03 3.83 1.97 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 1.56 0.66 0.94 0.00 0.00 63 H 8.28 4.26 0.00 3.40 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.25 4.03 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 65 A 8.12 4.01 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 66 A 8.43 4.00 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 0.00 0.00 67 D 8.27 4.32 0.00 2.85 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 A 8.17 4.34 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.41 3.73 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 70 E 8.28 4.77 0.00 1.82 1.87 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 2.26 2.47 0.00 71 P 0.00 4.62 0.00 2.10 2.01 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.53 4.89 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 1.09 0.00 0.00 1.01 0.00 0.00 73 I 8.91 4.72 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 1.00 0.00 0.00 74 L 9.05 5.06 0.00 1.73 1.49 0.99 0.23 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 75 N 9.44 5.30 0.00 2.80 3.04 0.00 0.00 6.92 7.72 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 76 A 8.74 4.45 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.99 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 78 G 8.72 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 0.00 0.00 0.00 79 L 7.74 4.31 0.00 1.86 1.74 0.92 1.20 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 80 T 7.95 3.88 3.94 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 1.24 0.00 0.00 81 H 8.08 5.16 0.00 3.27 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.88 4.54 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 1.28 0.00 0.00 83 S 8.08 4.55 0.00 3.87 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 84 V 7.91 3.28 1.87 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 0.97 0.00 0.00 0.33 0.00 0.00 85 A 7.82 3.94 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 0.00 0.00 86 L 7.92 3.89 0.00 1.77 1.66 0.93 0.92 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 87 R 7.64 3.90 0.00 1.98 2.11 0.00 3.42 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 88 D 8.22 4.34 0.00 2.80 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 89 A 8.04 4.19 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 90 C 8.38 4.18 0.00 3.23 3.02 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 91 A 8.13 4.17 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 92 E 7.87 4.17 0.00 2.07 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 0.00 2.33 2.36 0.00 93 L 7.37 4.16 0.00 1.80 1.63 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.67 4.37 0.00 3.99 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 95 A 7.66 4.54 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 96 P 0.00 4.40 0.00 2.19 2.14 0.00 3.58 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 2.17 2.16 0.00 97 L 8.84 5.15 0.00 1.75 1.49 1.00 0.77 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 98 I 8.60 4.74 1.83 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 1.13 0.87 0.84 0.00 0.00 99 E 8.94 4.59 0.00 2.02 1.77 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 2.21 2.19 0.00 100 V 8.83 4.59 1.70 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 0.15 0.00 0.00 0.70 0.00 0.00 101 H 8.98 4.82 0.00 3.00 3.10 0.00 5.68 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 0.00 102 I 8.78 3.92 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.96 0.00 0.00 103 S 7.85 4.75 0.00 3.96 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 0.00 104 N 8.38 4.45 0.00 2.73 2.76 0.00 0.00 6.64 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 0.00 105 V 8.13 3.67 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 0.46 0.00 0.00 0.83 0.00 0.00 106 H 8.18 4.46 0.00 3.25 3.33 0.00 5.64 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 0.00 107 A 7.72 4.70 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 0.00 108 R 7.23 4.57 0.00 1.60 1.51 0.00 3.17 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 109 E 8.24 3.98 0.00 1.16 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 2.35 2.23 0.00 110 E 8.66 3.87 0.00 1.96 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 2.37 2.29 0.00 111 F 7.78 4.31 0.00 3.09 3.18 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 0.00 112 R 6.78 3.64 0.00 1.61 1.76 0.00 2.91 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.00 113 R 7.72 4.22 0.00 1.91 1.98 0.00 3.07 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 114 H 7.96 4.84 0.00 3.12 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.05 4.81 0.00 3.79 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 0.00 116 Y 8.62 4.25 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 0.00 117 L 7.91 4.31 0.00 1.71 1.72 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.89 4.29 0.00 3.85 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 0.00 119 P 0.00 4.32 0.00 2.04 2.13 0.00 3.79 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 2.04 2.13 0.00 120 I 7.27 4.20 1.89 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 1.27 0.64 0.94 0.00 0.00 121 A 7.40 4.33 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 0.00 122 T 8.73 4.07 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 1.25 0.00 0.00 123 G 7.70 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 0.00 0.00 0.00 124 V 8.10 4.87 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 0.91 0.00 0.00 0.98 0.00 0.00 125 I 8.97 4.49 1.76 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 1.04 0.57 0.84 0.00 0.00 126 V 8.04 4.60 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 0.82 0.00 0.00 0.95 0.00 0.00 127 G 8.80 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 0.00 128 L 7.84 4.51 0.00 1.60 1.66 0.91 0.93 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 0.00 129 G 8.13 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 0.00 130 I 8.36 3.99 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.96 0.00 0.00 131 Q 8.23 4.25 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.99 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 0.00 133 Y 7.79 4.07 0.00 3.15 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 0.00 134 L 7.93 4.12 0.00 1.82 1.75 0.95 0.69 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 0.00 135 L 8.40 4.07 0.00 1.68 1.73 0.92 1.12 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 0.00 136 A 8.07 4.06 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 0.00 137 L 8.07 4.00 0.00 2.00 1.77 0.95 0.87 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 0.00 138 R 7.74 3.96 0.00 1.80 2.16 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 139 Y 7.94 4.22 0.00 3.10 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 0.00 140 L 7.73 3.94 0.00 1.82 1.75 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.83 4.14 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 0.00 142 E 7.57 4.65 0.00 1.85 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 2.21 2.21 0.00 143 H 7.72 4.15 0.00 2.85 2.98 0.00 5.93 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.