NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9433 0.0000 0.0000 61.9240 33.3122 174.6201 2 L 5.6757 8.0056 120.3476 50.5167 44.6047 174.6111 3 R 4.7984 9.2891 119.3431 55.0275 33.9687 173.0466 4 L 4.7918 8.4682 119.4761 53.9699 42.7397 177.7804 5 G 3.8940 9.1944 113.4259 44.2962 0.0000 174.7294 6 G 3.3763 8.5250 107.9462 47.4927 0.0000 173.9883 7 N 4.5668 8.1497 115.8191 52.4870 37.8102 176.0021 8 G 3.9455 8.9387 108.4176 45.6296 0.0000 173.5726 9 Q 4.4997 8.3175 119.3803 54.4953 30.6035 175.0671 10 L 4.6641 8.5396 125.1335 55.3793 43.0447 176.0214 11 Q 4.7820 9.7093 124.7860 54.3125 32.7333 173.3761 12 Y 5.0350 8.8233 124.8042 55.6166 40.4053 174.6338 13 W 4.9093 7.7857 123.3768 53.7479 30.9728 173.7066 14 P 3.9116 0.0000 0.0000 61.7505 31.5652 176.1897 15 F 4.2188 8.0336 119.0660 57.9930 39.4528 175.3881 16 S 4.3548 8.7690 118.8195 57.7855 63.2361 174.5942 17 S 3.8178 9.1111 123.5035 62.1736 62.4079 176.9179 18 S 4.0262 7.9516 118.6089 61.4186 62.5885 176.6658 19 D 3.5906 7.4805 121.2784 56.7074 40.3373 179.0259 20 L 3.6989 6.8356 118.8615 58.0388 41.7815 179.0172 21 Y 4.3840 7.6629 116.9179 61.0135 37.7534 178.4542 22 N 4.3163 8.4587 117.9492 56.1248 38.4295 177.4380 23 W 4.4373 7.5755 119.1932 59.5501 29.2434 178.2219 24 K 4.1698 8.2677 119.5435 59.8832 31.5602 178.7877 25 N 4.4802 8.5912 115.3861 55.4035 38.4020 176.1203 26 N 4.9542 7.7766 116.2574 51.8891 39.6880 174.2865 27 N 5.0338 7.3868 116.9559 51.2108 42.9272 172.8983 28 P 4.6129 0.0000 0.0000 61.5421 32.7857 176.0115 29 S 4.3172 8.4629 113.2844 58.3960 63.5042 175.1673 30 F 4.3137 9.0617 123.7188 61.7793 39.4202 177.6960 31 S 3.9071 8.5169 115.4903 61.6336 62.2729 175.1794 32 E 3.8288 8.5442 119.5345 58.7714 29.5644 176.4931 33 D 4.6801 8.5033 121.0295 51.8885 43.6681 173.8838 34 P 4.8720 0.0000 0.0000 64.9079 31.8742 178.1609 35 G 4.1945 7.9279 105.6608 45.6673 0.0000 174.5209 36 K 4.3981 7.9818 120.0713 57.8878 33.5455 178.4750 37 L 4.0377 7.8899 118.2652 57.6361 41.5160 179.6970 38 T 3.8898 8.0294 115.5285 66.5736 68.6216 176.5453 39 A 3.9906 7.9253 122.2528 54.8011 18.3909 179.2311 40 L 3.7139 8.0109 118.9233 58.3071 41.9550 179.3071 41 I 3.3713 7.9204 119.9257 64.2311 37.1494 177.6958 42 E 4.1747 7.9358 120.2699 59.7397 29.3729 179.1011 43 S 4.0549 8.0349 112.6689 61.2704 62.4372 176.2853 44 V 3.5360 7.7648 122.7048 65.2718 30.9891 177.7329 45 L 3.9873 8.5818 118.6346 58.3647 41.5230 179.5359 46 T 4.0357 7.8267 115.3079 67.0350 67.9779 177.0360 47 T 4.1318 8.6538 111.8630 64.1574 68.8645 175.1846 48 H 4.6876 8.7993 117.2590 54.9194 30.1964 174.4884 49 Q 3.4761 7.7060 118.7920 56.1204 26.4769 172.9920 50 P 4.2658 0.0000 0.0000 62.8260 32.5708 177.4458 51 T 4.3691 8.7752 112.2120 60.4461 71.3667 175.4321 52 W 3.8405 8.7388 129.4025 60.8656 30.3731 177.3486 53 D 4.1255 8.1637 118.0067 57.4329 40.2851 178.3253 54 D 4.4437 7.8613 118.8801 57.5434 40.6996 178.4735 55 C 4.1216 8.4414 117.6402 63.0611 28.1466 176.2578 56 Q 3.7092 7.6731 119.4000 58.8916 28.1196 178.8353 57 Q 3.8794 8.0861 118.9075 58.8336 28.7012 178.1986 58 L 3.6800 8.2223 121.5287 58.5108 42.1767 179.0525 59 L 3.9544 8.1450 118.5438 57.8041 41.5276 179.7282 60 G 3.8508 8.3846 104.0543 47.1802 0.0000 174.3060 61 T 4.4733 7.5348 116.0492 63.9839 70.1037 175.0465 62 L 4.6151 7.5117 117.5412 54.3931 42.5341 176.2488 63 L 5.0046 7.5523 118.1117 51.8838 45.4812 177.1340 64 T 4.2004 9.6963 113.9629 61.7161 70.5461 175.8573 65 G 3.6241 8.6369 108.3991 47.8232 0.0000 176.0109 66 E 3.9946 8.0822 120.3485 59.3280 29.6356 178.7174 67 E 4.0489 8.5878 118.9843 59.4812 29.5522 179.2184 68 K 3.7744 8.2146 119.6454 59.6983 32.1385 178.1321 69 Q 3.9493 7.9057 119.3245 59.2869 28.9494 178.2103 70 R 3.8935 8.0401 118.7964 59.5362 30.2621 178.8215 71 V 3.5168 8.0023 117.7195 66.3606 31.3221 178.0086 72 L 3.8145 8.2349 118.7384 57.5952 41.3080 179.4301 73 L 3.9252 8.2196 120.7082 58.2034 41.8998 178.7052 74 E 4.0557 8.3699 116.6514 58.1383 29.7341 178.4050 75 A 3.8375 7.5422 121.6441 55.3331 18.1510 179.8388 76 R 3.7730 7.3686 115.4995 59.2166 30.0613 179.1024 77 K 3.9779 7.4920 117.7609 59.4392 32.0732 177.4547 78 A 4.4829 7.6344 118.2207 51.3337 19.0023 177.1624 79 V 3.4662 8.1140 121.5178 63.8044 31.4542 176.4608 80 R 4.9798 8.2576 128.1335 54.5215 31.6496 173.5695 *85 R 4.0684 8.0115 111.7698 56.8852 29.3977 168.3765 86 P 4.4929 0.0000 0.0000 62.4716 30.7881 175.8246 87 T 4.5793 8.0563 118.3561 60.3255 69.0959 174.2242 88 Q 4.3532 8.5237 125.6375 55.6106 29.8568 175.7979 89 L 3.8497 7.6619 118.9711 54.5944 42.3249 175.4886 90 P 4.2606 0.0000 0.0000 66.0132 30.8647 177.9874 91 N 4.2989 8.2824 114.8140 56.3814 36.9381 176.8267 92 E 4.0161 8.0999 120.0494 59.0556 29.6776 178.9877 93 V 3.6418 7.9791 118.2956 66.3992 31.4349 177.5593 94 D 4.4788 8.1862 117.1385 57.7040 40.7556 178.7244 95 A 4.2685 7.7683 119.1109 54.3276 18.5011 179.0869 96 A 4.5762 7.8222 118.0452 53.5589 20.7045 178.2180 97 F 4.8723 8.2433 121.1762 55.4556 38.7070 172.9726 98 P 4.5957 0.0000 0.0000 62.3857 32.1754 177.2255 99 L 4.7107 8.4846 119.3620 56.1301 42.8096 177.1379 100 E 4.3880 7.7545 116.6289 54.5727 30.6428 176.0168 101 R 2.0000 8.0953 121.9621 55.5819 30.2381 174.7674 102 P 4.0907 0.0000 0.0000 61.5193 32.7503 175.9026 103 D 4.4436 7.7910 118.6982 51.1490 38.2042 173.9220 104 W 4.6956 7.8174 125.1405 55.4242 29.6024 175.6226 105 D 4.3308 8.5111 124.8597 53.7827 40.6632 176.4483 106 Y 4.4324 7.9971 125.3144 58.9398 38.5485 175.4843 107 T 4.5245 7.4048 111.1340 61.6106 69.6366 175.1912 108 T 4.5659 7.6230 110.2560 60.9042 72.5803 172.9484 109 T 3.8485 8.6485 120.6339 67.0644 68.4178 176.6260 110 E 3.9420 8.1006 119.7895 59.2512 29.6770 179.2385 111 G 3.7522 7.7509 106.7006 47.4622 0.0000 175.8143 112 R 4.0447 8.0801 121.2015 58.7978 30.0567 179.0541 113 N 4.2465 8.3897 116.5622 56.4871 38.4917 177.0630 114 H 3.5976 8.0478 117.9207 58.5760 28.5566 177.5642 115 L 4.0412 7.9475 120.8482 58.1329 41.2389 179.8419 116 V 3.7601 7.7322 117.8601 65.9054 31.3879 177.9032 117 L 4.0521 8.0037 120.2010 58.0239 41.8830 178.0731 118 Y 4.1726 8.3934 119.9635 61.1241 38.9440 178.5574 119 R 4.0683 8.8708 118.9662 59.1241 30.0925 179.2535 120 Q 3.9643 7.7542 116.7939 58.8902 28.7950 178.0321 121 L 3.9248 7.9343 119.9589 57.9895 41.5485 179.3498 122 L 3.9030 8.0404 118.7233 58.9273 42.2656 178.0024 123 L 3.7924 8.1912 119.0190 57.6866 41.7728 179.0043 124 A 4.1380 8.3641 119.8247 55.0677 18.7659 179.7973 125 G 3.4804 8.2372 104.5050 48.0929 0.0000 175.4152 126 L 3.9169 8.1848 122.0656 57.5212 41.4297 179.2944 127 Q 4.0298 8.0865 116.6594 59.6780 29.0611 179.3299 128 N 4.4761 8.8275 116.9859 56.2979 38.4138 177.3559 129 A 4.2326 8.3170 121.6943 55.0961 18.4554 179.5079 130 G 3.9003 8.3382 102.5013 45.6377 0.0000 175.2190 131 R 4.4256 7.6578 123.6116 54.9409 28.5418 181.5417 132 S 4.2288 7.8951 119.4809 57.8988 63.1566 173.5432 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 P 0.00 3.94 0.00 0.49 1.11 0.00 2.24 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.01 0.00 2 L 8.01 5.68 0.00 1.44 1.51 0.87 0.18 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 3 R 9.29 4.80 0.00 1.91 2.23 0.00 2.81 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 4 L 8.47 4.79 0.00 1.55 1.66 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.19 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 6 G 8.52 3.38 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 0.00 7 N 8.15 4.57 0.00 2.82 2.93 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.94 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 9 Q 8.32 4.50 0.00 2.31 2.06 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 2.36 2.37 0.00 10 L 8.54 4.66 0.00 1.74 1.73 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.71 4.78 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 12 Y 8.82 5.04 0.00 2.40 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 13 W 7.79 4.91 0.00 3.12 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 14 P 0.00 3.91 0.00 2.05 2.03 0.00 3.74 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 2.09 2.25 0.00 15 F 8.03 4.22 0.00 2.97 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 16 S 8.77 4.35 0.00 3.94 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 17 S 9.11 3.82 0.00 4.05 4.11 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 18 S 7.95 4.03 0.00 3.79 3.87 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 19 D 7.48 3.59 0.00 2.16 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 20 L 6.84 3.70 0.00 1.16 1.31 0.67 0.35 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 21 Y 7.66 4.38 0.00 2.92 2.85 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 22 N 8.46 4.32 0.00 2.49 2.72 0.00 0.00 6.96 7.70 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 23 W 7.58 4.44 0.00 3.49 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 24 K 8.27 4.17 0.00 1.95 2.13 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.56 7.81 25 N 8.59 4.48 0.00 2.77 2.88 0.00 0.00 7.08 7.82 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 26 N 7.78 4.95 0.00 2.88 2.87 0.00 0.00 6.79 7.95 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 27 N 7.39 5.03 0.00 2.82 2.71 0.00 0.00 6.89 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 28 P 0.00 4.61 0.00 2.19 2.15 0.00 3.82 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 2.00 1.96 0.00 29 S 8.46 4.32 0.00 4.08 4.10 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 30 F 9.06 4.31 0.00 3.03 3.39 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 31 S 8.52 3.91 0.00 3.91 3.87 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 32 E 8.54 3.83 0.00 2.10 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 2.35 2.27 0.00 33 D 8.50 4.68 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 4.87 0.00 1.91 1.75 0.00 3.83 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 1.94 1.73 0.00 35 G 7.93 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 0.00 0.00 0.00 0.00 36 K 7.98 4.40 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.45 7.81 37 L 7.89 4.04 0.00 1.87 1.72 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.03 3.89 4.37 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 1.26 0.00 0.00 39 A 7.93 3.99 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 40 L 8.01 3.71 0.00 1.75 1.66 0.84 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.92 3.37 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.82 0.00 0.00 42 E 7.94 4.17 0.00 2.17 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 0.00 2.31 2.35 0.00 43 S 8.03 4.05 0.00 4.02 3.84 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 44 V 7.76 3.54 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 0.74 0.00 0.00 -0.07 0.00 0.00 45 L 8.58 3.99 0.00 1.65 1.77 0.93 0.93 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 46 T 7.83 4.04 4.37 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 1.23 0.00 0.00 47 T 8.65 4.13 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 1.26 0.00 0.00 48 H 8.80 4.69 0.00 3.38 3.29 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.71 3.48 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 50 P 0.00 4.27 0.00 2.20 2.08 0.00 3.91 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 2.05 2.03 0.00 51 T 8.78 4.37 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 1.17 0.00 0.00 52 W 8.74 3.84 0.00 2.93 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 53 D 8.16 4.13 0.00 2.74 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 D 7.86 4.44 0.00 2.77 2.36 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 55 C 8.44 4.12 0.00 3.00 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 56 Q 7.67 3.71 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 57 Q 8.09 3.88 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 58 L 8.22 3.68 0.00 1.89 1.64 0.75 0.32 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 59 L 8.15 3.95 0.00 1.79 1.63 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.38 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 61 T 7.53 4.47 4.31 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 1.15 0.00 0.00 62 L 7.51 4.62 0.00 1.52 1.68 0.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.55 5.00 0.00 1.73 1.47 0.61 0.48 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 64 T 9.70 4.20 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 1.31 0.00 0.00 65 G 8.64 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 0.00 0.00 0.00 66 E 8.08 3.99 0.00 2.10 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 2.41 2.47 0.00 67 E 8.59 4.05 0.00 2.19 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 0.00 2.59 2.44 0.00 68 K 8.21 3.77 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 69 Q 7.91 3.95 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 70 R 8.04 3.89 0.00 2.17 2.04 0.00 3.27 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 71 V 8.00 3.52 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 0.92 0.00 0.00 0.78 0.00 0.00 72 L 8.23 3.81 0.00 1.88 1.81 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.22 3.93 0.00 1.81 1.85 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.37 4.06 0.00 1.87 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 2.59 2.54 0.00 75 A 7.54 3.84 -0.21 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 76 R 7.37 3.77 0.00 1.79 2.00 0.00 3.27 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 77 K 7.49 3.98 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 78 A 7.63 4.48 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 79 V 8.11 3.47 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 0.96 0.00 0.00 1.03 0.00 0.00 80 R 8.26 4.98 0.00 1.86 1.73 0.00 3.24 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.00 *85 R 8.01 4.07 0.00 1.76 1.93 0.00 3.22 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 86 P 0.00 4.49 0.00 2.03 2.07 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 87 T 8.06 4.58 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 1.41 0.00 0.00 88 Q 8.52 4.35 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 89 L 7.66 3.85 0.00 1.74 1.69 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.26 0.00 2.17 2.15 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 91 N 8.28 4.30 0.00 3.01 3.12 0.00 0.00 6.12 7.66 0.00 0.00 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 8.10 4.02 0.00 2.20 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 2.43 2.38 0.00 93 V 7.98 3.64 2.26 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 1.20 0.00 0.00 1.02 0.00 0.00 94 D 8.19 4.48 0.00 2.82 2.78 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 95 A 7.77 4.27 1.48 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 96 A 7.82 4.58 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.24 4.87 0.00 3.04 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 98 P 0.00 4.60 0.00 1.98 1.98 0.00 4.25 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 99 L 8.48 4.71 0.00 1.76 1.91 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.75 4.39 0.00 1.82 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 2.25 2.28 0.00 101 R 8.10 2.00 0.00 1.61 1.55 0.00 3.34 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.33 0.00 102 P 0.00 4.09 0.00 0.66 1.00 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.79 4.44 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 0.00 104 W 7.82 4.70 0.00 3.31 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 0.00 105 D 8.51 4.33 0.00 2.60 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 0.00 106 Y 8.00 4.43 0.00 3.09 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 0.00 107 T 7.40 4.52 4.22 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 1.11 0.00 0.00 108 T 7.62 4.57 4.31 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 1.23 0.00 0.00 109 T 8.65 3.85 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 1.19 0.00 0.00 110 E 8.10 3.94 0.00 2.03 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 2.38 2.40 0.00 111 G 7.75 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 0.00 0.00 0.00 112 R 8.08 4.04 0.00 1.87 2.00 0.00 3.18 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 113 N 8.39 4.25 0.00 2.80 2.69 0.00 0.00 7.00 8.53 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 0.00 114 H 8.05 3.60 0.00 2.26 1.31 0.00 5.63 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 0.00 115 L 7.95 4.04 0.00 1.86 1.77 1.21 1.08 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 0.00 116 V 7.73 3.76 2.06 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 1.00 0.00 0.00 1.01 0.00 0.00 117 L 8.00 4.05 0.00 1.89 1.78 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.39 4.17 0.00 3.46 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 0.00 119 R 8.87 4.07 0.00 1.94 2.05 0.00 3.24 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 120 Q 7.75 3.96 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 121 L 7.93 3.92 0.00 2.12 1.79 1.13 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.04 3.90 0.00 1.70 1.90 1.01 1.05 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 0.00 123 L 8.19 3.79 0.00 1.84 1.76 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.36 4.14 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 0.00 125 G 8.24 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 0.00 126 L 8.18 3.92 0.00 1.84 1.72 0.82 0.54 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 0.00 127 Q 8.09 4.03 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 128 N 8.83 4.48 0.00 2.71 2.85 0.00 0.00 7.01 7.61 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 0.00 129 A 8.32 4.23 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 0.00 131 R 7.66 4.43 0.00 1.85 1.76 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 132 S 7.90 4.23 0.00 3.57 3.57 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 * Residues marked with a * may have inaccurate shift predictions.