NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7937 8.3549 109.7378 45.2448 0.0000 176.2571 *2 L 4.1639 8.7236 119.9481 53.3891 43.1454 175.4881 3 P 4.2619 0.0000 0.0000 66.1857 30.8727 177.8385 4 D 4.5323 7.9533 115.5169 54.5673 40.0669 176.7330 5 D 4.4572 8.0912 120.1686 55.9504 41.1603 175.9867 6 V 4.1086 7.2569 119.3871 62.9654 32.5731 175.5361 7 N 4.1730 8.2358 124.2697 53.6157 35.9716 175.0999 8 Q 4.1340 7.4839 117.6669 55.0885 30.8245 176.1291 9 A 4.0107 8.8920 130.0475 56.4444 18.2845 180.1176 10 D 4.3334 8.0089 118.6020 58.5077 40.0463 180.6488 11 V 3.9165 7.7318 119.2445 65.7771 31.5403 177.8158 12 L 3.7447 8.2191 120.2953 57.8743 42.0444 178.7107 13 A 3.9084 8.0457 120.8091 55.0953 18.2452 179.4194 14 D 4.2035 7.8012 117.0991 57.6422 40.9239 179.2246 15 V 2.3692 6.8883 118.0572 65.5854 31.1741 178.2204 16 T 3.6109 7.7334 115.4360 66.5353 68.4544 176.3887 17 A 4.0424 7.7689 122.0024 55.1045 18.2426 179.6495 18 A 3.8911 7.6960 119.1634 55.1446 18.4851 179.2941 19 F 3.9923 7.5865 119.4572 62.0430 39.4787 177.1622 20 Y 4.0845 8.3652 115.9059 60.6028 37.6210 178.3541 21 R 3.9866 7.9865 119.9879 59.4899 30.1382 177.8027 22 Y 4.0378 8.5208 119.8372 60.6615 38.8800 177.6811 23 E 3.8028 8.1423 120.3209 59.1123 29.7292 178.7695 24 K 3.9700 8.0721 119.1921 59.1723 32.2056 178.8249 25 A 3.8958 7.7602 121.2794 54.8436 18.1900 179.3443 26 L 3.6422 7.7111 119.3598 58.4488 41.9476 179.2974 27 T 3.8746 7.6636 107.5405 63.6964 69.0982 175.3975 28 G 3.7777 7.8225 108.7709 44.2123 0.0000 172.9619 29 N 3.9400 7.2772 117.2729 54.1628 37.8834 176.4826 30 D 4.5957 8.1836 118.6420 52.8121 40.0257 175.1067 31 V 3.5332 7.9238 123.9383 65.1021 31.7122 176.9255 32 A 3.9304 7.9788 120.2449 55.2731 18.3193 179.6241 33 V 3.5959 7.7820 116.7708 66.1106 31.3757 178.1187 34 L 4.0699 7.8710 117.9864 57.7655 41.2327 178.7957 35 D 4.5123 8.2112 118.0572 57.0666 41.0295 177.6101 36 E 4.0570 8.2045 118.8325 59.6951 29.9493 178.8480 37 L 4.3421 8.6252 118.3955 56.2246 41.7701 176.8941 38 F 4.7517 7.2768 116.8766 55.8263 40.4551 175.6836 39 W 4.3663 8.7712 132.8653 57.9678 30.8588 176.5144 40 H 4.4743 9.0184 128.9401 55.3567 27.3598 173.2122 41 D 4.3448 7.7388 118.1116 52.0067 44.2415 175.6585 42 E 3.9071 8.5726 120.8069 58.8572 29.7289 178.6285 43 K 4.2739 7.9889 117.4979 57.3386 32.8882 177.2412 44 T 4.5944 7.3383 116.6400 63.2383 69.8869 173.2577 45 V 4.4417 8.3253 124.2310 60.9102 35.0898 173.8579 46 R 4.8356 8.4718 127.9863 54.8116 32.6213 173.8630 47 Y 4.8969 8.7037 126.3293 57.1320 39.1634 175.8346 48 G 4.2688 9.0483 112.5228 43.3806 0.0000 172.8075 49 A 4.3406 8.9997 122.1206 54.8901 18.1781 179.2380 50 G 4.2755 7.9207 101.3955 44.5744 0.0000 171.8954 51 E 4.6557 7.8217 115.5187 54.7428 32.0843 173.4385 52 N 5.2125 8.6902 117.5718 51.8038 41.0931 173.6705 53 L 4.9340 8.9069 124.8403 52.9945 44.5836 175.3820 54 Y 4.5654 9.5507 121.4231 58.0998 40.4161 176.5936 55 G 3.9781 9.4313 111.2309 46.4909 0.0000 173.9038 56 I 3.7228 8.0765 122.5914 64.1477 37.8392 179.1817 57 E 3.9369 7.9788 118.9409 61.1830 29.6996 182.1099 58 E 4.1928 8.1118 119.5185 59.2376 29.5761 179.4068 59 I 3.6617 7.7114 119.7746 64.4043 37.1946 178.6563 60 R 3.8593 8.3352 118.9818 59.0851 29.8978 178.7153 61 A 3.9508 7.9519 120.5096 55.3491 18.3993 179.0988 62 F 4.0526 8.1921 118.8674 61.8580 39.0923 177.6213 63 R 3.5982 7.6440 116.0042 59.2688 29.9411 178.7901 64 L 4.0586 7.5182 116.8164 57.3458 41.7337 178.9533 65 A 4.0414 7.8315 119.9217 53.4398 18.7868 178.0977 66 R 3.7378 6.8105 117.4545 55.5043 30.6709 174.5241 67 P 4.3837 0.0000 0.0000 62.9877 32.1253 177.6508 68 S 4.1788 8.6332 118.8009 60.7742 61.4515 173.8045 69 A 4.0408 7.8963 123.6520 53.2922 18.5804 177.5117 70 G 3.9297 8.7665 108.6282 46.5581 0.0000 175.1315 71 L 4.0699 7.3422 120.0138 57.0237 41.8386 177.8847 72 D 4.4824 7.8353 117.0080 54.6324 41.7063 174.8583 73 R 4.8643 8.0953 119.0986 55.3334 32.7079 173.4550 74 A 4.8184 9.0119 122.4067 50.3913 21.0267 176.7654 75 L 4.9932 8.6470 122.4363 54.8048 43.3697 176.2315 76 R 4.5174 9.2217 118.9437 56.1114 34.0620 174.3990 77 N 4.3105 8.8443 120.9304 54.5784 36.3637 174.7831 78 T 4.3754 7.8254 113.0873 63.6463 69.9583 175.6235 79 V 4.2254 9.0478 125.8027 61.5213 34.8299 173.6893 80 I 4.7639 8.2677 128.8835 59.7402 39.3670 175.2686 81 T 4.7254 8.7828 123.9371 61.8209 71.7262 173.2605 82 T 4.5934 8.9512 117.0396 60.3340 71.6358 173.6307 83 Y 4.5082 8.3625 120.7402 56.8489 39.7543 176.6694 84 G 3.8460 8.8849 117.0047 46.6054 0.0000 172.7720 85 H 4.9021 8.6997 118.7926 55.6322 29.9571 175.2590 86 D 4.4257 7.4256 119.6156 52.2739 38.4466 174.3573 *88 A 4.7206 7.7587 120.3442 52.6235 21.1978 176.9841 89 V 4.9138 8.7989 119.5392 61.0072 34.5138 174.1348 90 A 4.9905 9.2820 130.1570 50.2971 20.9012 175.5641 91 S 5.0771 9.0960 119.0306 57.3803 66.5727 173.3653 92 T 4.8782 9.0416 116.6654 61.2906 71.2690 172.3417 93 E 5.1587 9.1693 126.6123 55.4811 32.1564 174.9494 94 F 5.6717 8.6446 115.9340 56.2315 41.8082 173.1013 95 T 5.1307 9.1495 109.3070 60.4768 72.3488 172.5543 96 R 5.0226 8.3538 119.3674 54.6893 34.4419 176.8296 97 T 4.1200 8.8067 117.4898 66.7937 68.8450 176.5832 98 G 3.7024 8.2387 109.2572 48.2247 0.0000 173.6859 99 S 4.6330 7.2740 113.6598 57.2862 63.5578 173.6301 100 T 4.3448 8.3138 122.1847 64.7106 69.5831 176.5053 101 K 4.1572 8.2621 125.4381 54.8756 32.6048 181.6997 102 I 4.2871 8.1254 120.9978 59.1281 37.2802 175.5847 103 G 3.0732 8.3859 115.1489 43.9004 0.0000 172.8121 104 R 5.2505 8.6704 119.9444 54.3268 34.5832 174.2412 105 Q 5.3734 9.2807 122.9955 53.5369 33.8349 173.3240 *107 Q 4.4057 8.3906 118.6933 56.0005 30.7094 174.6198 108 T 5.0580 8.3699 119.6015 61.8621 70.6275 173.4988 109 W 5.2766 9.2638 127.2039 55.3040 31.4026 176.1916 110 V 4.8060 8.8597 121.9306 61.2345 34.5787 174.7455 111 K 3.5562 7.9395 128.5995 55.1323 32.5554 174.6733 *113 P 4.4297 0.0000 0.0000 62.4384 33.0537 177.9766 114 E 4.0428 8.0297 113.6766 56.8288 29.9891 175.3510 115 G 3.9583 8.0310 104.5265 42.8322 0.0000 173.1765 116 W 4.5344 8.6432 120.1121 57.0740 29.5819 176.1997 117 R 4.9977 9.2771 121.4489 54.4319 34.3344 174.4893 118 I 3.4638 8.0961 124.7452 61.0270 37.2325 176.9492 119 V 4.2008 8.5391 121.0338 62.4808 33.4296 176.0701 120 A 4.9057 7.3640 120.7629 50.5284 22.6283 175.0441 121 A 4.8929 8.9095 122.4840 50.5318 23.3364 174.6215 122 H 5.3629 8.8249 119.7617 54.5168 33.2401 172.1380 123 V 5.4933 9.4764 125.6052 60.4899 34.4380 174.3713 124 S 4.6116 8.5093 119.4287 58.2030 65.9469 173.4743 125 L 4.9193 8.2497 122.6567 53.9386 42.3956 177.8003 *127 S 4.2589 8.5997 118.7058 59.4422 62.9252 170.3241 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 0 G 8.35 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 *2 L 8.72 4.16 0.00 1.86 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.26 0.00 2.21 2.35 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 4 D 7.95 4.53 0.00 2.80 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 5 D 8.09 4.46 0.00 2.92 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 6 V 7.26 4.11 2.20 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 0.60 0.00 0.00 0.98 0.00 0.00 7 N 8.24 4.17 0.00 2.80 2.74 0.00 0.00 7.00 7.20 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 8 Q 7.48 4.13 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 9 A 8.89 4.01 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 10 D 8.01 4.33 0.00 2.70 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 11 V 7.73 3.92 2.22 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 1.20 0.00 0.00 1.06 0.00 0.00 12 L 8.22 3.74 0.00 1.79 1.75 0.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.05 3.91 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 14 D 7.80 4.20 0.00 2.79 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 15 V 6.89 2.37 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 0.14 0.00 0.00 -0.85 0.00 0.00 16 T 7.73 3.61 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 A 7.77 4.04 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 18 A 7.70 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.59 3.99 0.00 2.66 2.93 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 0.00 20 Y 8.37 4.08 0.00 3.15 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 R 7.99 3.99 0.00 2.14 2.22 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 22 Y 8.52 4.04 0.00 3.42 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 23 E 8.14 3.80 0.00 1.71 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 0.00 2.34 2.37 0.00 24 K 8.07 3.97 0.00 1.93 1.95 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 A 7.76 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 26 L 7.71 3.64 0.00 1.30 1.60 0.88 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 27 T 7.66 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 1.26 0.00 0.00 28 G 7.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.28 3.94 0.00 2.65 2.74 0.00 0.00 6.99 8.33 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 30 D 8.18 4.60 0.00 2.65 2.48 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 31 V 7.92 3.53 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 0.95 0.00 0.00 0.85 0.00 0.00 32 A 7.98 3.93 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 33 V 7.78 3.60 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 1.19 0.00 0.00 1.04 0.00 0.00 34 L 7.87 4.07 0.00 1.78 1.71 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.21 4.51 0.00 2.95 2.87 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 36 E 8.20 4.06 0.00 2.08 2.27 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 0.00 2.46 2.46 0.00 37 L 8.63 4.34 0.00 2.18 1.97 1.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.28 4.75 0.00 2.88 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 39 W 8.77 4.37 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.02 4.47 0.00 3.23 3.23 0.00 6.01 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 41 D 7.74 4.34 0.00 1.58 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 42 E 8.57 3.91 0.00 2.07 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 0.00 2.22 2.21 0.00 43 K 7.99 4.27 0.00 1.79 2.01 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 T 7.34 4.59 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 1.51 0.00 0.00 45 V 8.33 4.44 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 -0.06 0.00 0.00 0.79 0.00 0.00 46 R 8.47 4.84 0.00 1.87 1.54 0.00 2.89 0.00 0.00 2.82 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 47 Y 8.70 4.90 0.00 2.67 2.51 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 48 G 9.05 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.00 4.34 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 50 G 7.92 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 0.00 0.00 0.00 0.00 51 E 7.82 4.66 0.00 2.06 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 1.94 1.98 0.00 52 N 8.69 5.21 0.00 2.76 3.09 0.00 0.00 6.82 7.85 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 53 L 8.91 4.93 0.00 1.42 1.43 0.52 0.64 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 54 Y 9.55 4.57 0.00 2.79 2.87 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 55 G 9.43 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 0.00 0.00 0.00 56 I 8.08 3.72 1.80 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 1.26 1.38 0.63 0.00 0.00 57 E 7.98 3.94 0.00 2.01 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 0.00 2.31 1.97 0.00 58 E 8.11 4.19 0.00 2.14 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 0.00 2.43 2.49 0.00 59 I 7.71 3.66 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.51 0.00 0.00 60 R 8.34 3.86 0.00 2.04 1.97 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 61 A 7.95 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 62 F 8.19 4.05 0.00 3.11 3.26 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 63 R 7.64 3.60 0.00 1.93 1.88 0.00 3.32 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 64 L 7.52 4.06 0.00 1.69 1.67 0.89 0.84 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 65 A 7.83 4.04 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 66 R 6.81 3.74 0.00 1.02 1.53 0.00 2.75 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 67 P 0.00 4.38 0.00 2.05 1.93 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 68 S 8.63 4.18 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.90 4.04 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 G 8.77 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 0.00 0.00 0.00 0.00 71 L 7.34 4.07 0.00 1.58 1.69 0.85 0.92 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 72 D 7.84 4.48 0.00 2.61 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 73 R 8.10 4.86 0.00 2.10 1.83 0.00 2.21 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 74 A 9.01 4.82 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 75 L 8.65 4.99 0.00 1.73 1.79 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 76 R 9.22 4.52 0.00 1.94 1.78 0.00 3.26 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 77 N 8.84 4.31 0.00 2.89 2.86 0.00 0.00 7.02 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 78 T 7.83 4.38 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 0.96 0.00 0.00 79 V 9.05 4.23 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 0.79 0.00 0.00 0.97 0.00 0.00 80 I 8.27 4.76 1.60 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.27 0.56 0.00 0.00 81 T 8.78 4.73 4.17 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 0.79 0.00 0.00 82 T 8.95 4.59 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 83 Y 8.36 4.51 0.00 2.89 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 84 G 8.88 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 85 H 8.70 4.90 0.00 3.30 3.43 0.00 5.53 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 D 7.43 4.43 0.00 2.48 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 *88 A 7.76 4.72 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 89 V 8.80 4.91 2.25 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 1.13 0.00 0.00 1.01 0.00 0.00 90 A 9.28 4.99 1.15 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 91 S 9.10 5.08 0.00 3.70 3.75 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 92 T 9.04 4.88 4.43 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 1.50 0.00 0.00 93 E 9.17 5.16 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 94 F 8.64 5.67 0.00 3.20 3.15 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 95 T 9.15 5.13 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 1.21 0.00 0.00 96 R 8.35 5.02 0.00 1.82 1.87 0.00 3.29 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 97 T 8.81 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 1.23 0.00 0.00 98 G 8.24 3.70 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 99 S 7.27 4.63 0.00 4.04 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 0.00 100 T 8.31 4.34 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 1.21 0.00 0.00 101 K 8.26 4.16 0.00 1.75 1.59 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 102 I 8.13 4.29 1.87 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 1.28 0.60 0.91 0.00 0.00 103 G 8.39 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 0.00 0.00 0.00 104 R 8.67 5.25 0.00 1.70 1.77 0.00 3.03 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 105 Q 9.28 5.37 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 *107 Q 8.39 4.41 0.00 2.20 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.63 0.00 0.00 0.00 0.00 0.00 2.10 2.41 0.00 108 T 8.37 5.06 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 1.27 0.00 0.00 109 W 9.26 5.28 0.00 3.14 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.86 4.81 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 0.84 0.00 0.00 0.82 0.00 0.00 111 K 7.94 3.56 0.00 0.79 0.91 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.56 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.90 0.25 7.81 *113 P 0.00 4.43 0.00 2.10 2.12 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 1.92 2.05 0.00 114 E 8.03 4.04 0.00 2.12 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 2.34 2.33 0.00 115 G 8.03 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 0.00 116 W 8.64 4.53 0.00 3.43 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 0.00 117 R 9.28 5.00 0.00 1.65 1.80 0.00 3.53 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 118 I 8.10 3.46 0.56 0.00 0.00 -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 -0.30 -0.36 -0.21 0.00 0.00 119 V 8.54 4.20 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 0.38 0.00 0.00 0.83 0.00 0.00 120 A 7.36 4.91 1.10 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 0.00 0.00 121 A 8.91 4.89 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 0.00 122 H 8.82 5.36 0.00 3.26 3.15 0.00 5.63 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 0.00 123 V 9.48 5.49 2.21 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 0.95 0.00 0.00 1.07 0.00 0.00 124 S 8.51 4.61 0.00 3.91 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 0.00 125 L 8.25 4.92 0.00 1.63 1.52 0.95 0.92 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 *127 S 8.60 4.26 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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.