NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7834 8.3544 109.7419 45.2441 0.0000 174.1405 *2 F 4.4640 8.5441 118.6295 57.5675 41.1572 173.4758 3 Q 3.9082 7.4572 127.0802 53.4514 31.4748 174.2245 4 L 3.8267 7.9554 127.2351 55.1778 42.7581 176.5660 5 H 4.1365 9.4554 126.1491 56.1215 31.4931 175.9896 6 E 3.8865 8.5640 126.0551 59.7339 29.2533 179.5284 7 R 3.8983 8.1253 119.0282 59.1088 30.0439 178.2962 8 L 3.9187 7.8880 117.2372 57.6877 42.0637 178.7998 9 A 4.1037 8.2543 120.6364 55.1998 18.1042 179.6139 10 A 4.0598 8.0398 118.2787 54.8220 18.5530 178.6613 11 D 4.6485 7.8164 114.8963 54.0129 41.4679 176.0112 12 T 4.7836 6.9018 107.4314 60.0963 72.3225 172.4851 13 H 4.9066 8.6408 118.9663 53.6093 31.2204 173.9066 14 K 4.3269 8.7052 125.4697 56.6371 31.9544 176.5208 15 L 4.1510 9.1754 128.9981 55.3531 42.4073 178.1112 16 G 3.9465 6.8529 104.5610 45.9368 0.0000 170.4156 17 E 5.0513 8.2483 119.7349 54.5793 33.1838 175.8213 18 S 4.6912 8.3573 117.0398 56.8044 65.5564 173.6321 19 R 3.9803 8.3708 119.8511 59.0573 29.8959 177.4196 20 L 4.4613 8.1980 118.2249 55.3341 43.6473 175.1812 21 C 5.3106 7.9823 114.7379 57.4270 32.7912 173.3054 22 D 4.6803 8.7733 121.2443 54.4204 41.8901 175.7448 23 V 4.6203 8.8912 123.8635 61.4545 33.4118 174.1050 24 L 5.0996 8.9233 128.9583 52.4009 44.3093 175.5016 25 L 4.5126 8.8645 132.9224 54.5598 44.3881 178.0134 *27 N 4.8527 8.2681 107.1073 52.8150 39.7268 173.9320 28 D 4.6470 7.5821 118.8527 53.0355 43.6464 174.4346 29 N 4.0518 8.6086 124.2707 53.2734 37.5251 176.4661 30 T 3.6693 7.4435 116.5274 65.8090 68.5752 174.8793 31 W 5.2179 7.7629 118.3453 53.9663 33.2638 172.8047 32 P 4.4561 0.0000 0.0000 62.3504 31.7567 175.4708 33 W 5.7171 8.7765 135.0000 56.3096 33.4689 173.8361 34 V 4.8787 9.4123 127.3826 61.1880 34.6777 174.0382 35 I 5.2598 9.1241 127.6302 59.6265 40.3115 174.2924 36 L 4.9851 8.9232 127.0886 53.3385 43.7134 175.6753 37 V 4.5208 8.5960 124.6042 60.1942 33.4503 172.8692 38 P 4.4369 0.0000 0.0000 62.3975 31.5813 178.1355 39 R 2.5100 7.9073 126.5875 54.2419 28.6756 176.7774 40 V 4.3927 6.6884 116.2681 60.5964 34.8514 175.0430 41 S 4.3668 8.8255 122.0150 59.5857 63.5333 174.0060 42 G 3.8695 8.8018 109.6168 46.4534 0.0000 172.8926 43 I 4.3220 7.6387 120.5747 59.5933 38.4702 176.5757 44 R 4.9471 9.0692 124.2090 56.3045 31.4136 176.6361 45 E 4.5845 7.4715 115.1091 53.8957 33.5251 176.3826 46 I 3.6433 8.3074 122.4345 64.7932 37.2379 177.9497 47 Y 4.3889 7.5141 115.7348 58.8726 38.0143 176.4494 48 E 4.2174 7.5733 119.7089 58.0610 29.9673 177.2692 49 L 4.2001 7.4747 118.8203 53.5192 42.3845 175.8051 50 P 4.4451 0.0000 0.0000 62.6681 33.2469 177.3104 51 N 4.3083 8.8278 117.5812 56.7870 38.4601 177.5344 52 E 3.9986 8.1077 118.3507 59.4545 29.7549 179.0879 53 Q 4.0404 8.0265 118.5784 58.5729 28.7909 178.1963 54 Q 4.0133 8.3435 119.4624 59.2906 28.8259 179.1038 55 Q 4.0314 8.3235 119.0062 58.8142 28.6181 178.7847 56 R 3.9808 8.1473 119.9934 59.1324 30.1018 178.2148 57 L 3.9492 8.2663 120.5786 58.0529 42.0051 178.5521 58 L 3.9435 8.1370 120.3366 58.2268 42.0021 178.6321 59 F 4.0030 8.3011 120.3074 61.4507 39.2514 176.9393 60 E 3.9072 8.5865 118.2621 59.3547 29.1894 179.2416 61 S 4.0697 8.4707 113.5532 61.6949 62.5206 176.5165 62 S 4.0734 8.3093 117.8162 61.2782 62.4971 176.6273 63 A 3.7608 7.7327 123.6166 54.8163 17.8692 179.3557 64 L 3.8514 7.8183 117.9367 58.4248 42.2570 179.0890 65 S 4.2997 8.0505 113.8523 61.6932 62.9056 176.0317 66 E 4.2683 8.0343 120.6578 58.4631 30.8318 178.7718 67 G 3.8299 7.8731 107.1632 44.7885 0.0000 172.9510 *70 E 4.2444 8.0092 125.5055 56.4253 31.9548 177.6282 71 L 3.8097 8.2056 119.5803 57.5451 42.0917 177.4055 72 F 4.7579 8.3073 113.6525 56.2743 39.6200 175.4401 73 G 4.0926 7.7667 109.1580 46.4655 0.0000 174.2328 74 G 3.6105 7.9602 105.5714 45.1028 0.0000 173.5110 75 D 4.6035 8.2146 119.8457 56.1592 42.1499 176.6563 76 K 4.1891 7.1743 119.7555 55.8571 36.5387 173.6001 *78 N 4.7387 8.7135 114.4218 53.2982 40.2197 173.7403 79 V 5.2998 8.5292 122.2257 60.1528 34.5590 174.2718 80 A 4.6273 8.4175 126.3183 50.8291 22.7019 174.6756 81 A 4.4317 8.4785 121.9569 51.0468 20.4679 174.5751 82 L 4.0958 8.6557 121.7331 51.4462 44.6405 176.5199 83 G 3.8287 8.0972 108.8819 47.1300 0.0000 173.9187 84 N 4.3299 8.1394 112.9158 53.7809 38.5358 175.3059 *86 V 3.6844 7.6275 118.9250 62.0016 31.9509 174.1745 87 P 4.4132 0.0000 0.0000 64.4569 31.8506 175.8627 88 Q 4.3795 7.8699 121.1367 55.3263 29.2622 174.9426 89 L 4.1439 8.4938 128.6975 56.2408 42.4953 176.0243 90 H 5.1150 8.5397 120.2918 54.2094 31.8249 172.3595 91 L 4.7643 8.9850 124.1334 53.5692 44.3740 175.0036 92 H 5.1247 9.3010 124.9674 56.0813 30.4980 174.5549 93 H 4.9541 9.5926 118.9674 54.3206 32.1436 172.3794 94 I 4.7776 8.4769 124.9015 59.0931 39.5513 175.8410 95 V 3.7362 8.3877 128.0015 62.6624 31.9991 175.4207 96 R 4.9468 8.7866 126.9263 54.6566 33.3268 174.8773 97 Y 4.8596 8.8334 118.6680 55.6033 41.3193 175.5018 98 Q 2.0000 8.4566 122.6286 57.0831 29.0393 177.6849 99 G 3.7985 7.1279 109.8511 45.5807 0.0000 172.8985 100 D 4.6840 7.8852 120.3317 51.6801 40.3467 173.8214 101 P 4.5086 0.0000 0.0000 63.9566 31.7001 177.2379 102 A 3.8731 9.0764 123.4609 51.8861 16.9098 177.3342 103 W 4.4333 8.2662 126.2826 57.2882 31.1012 173.7020 104 P 3.0663 0.0000 0.0000 61.8452 30.8558 175.6585 105 G 3.7223 7.4446 108.5894 44.3541 0.0000 172.0997 106 P 4.1062 0.0000 0.0000 62.0597 32.2391 177.5526 107 V 3.0448 6.6083 112.9417 63.0494 31.6560 177.0840 108 W 4.3233 7.1315 119.9891 57.7401 29.1661 176.5803 109 G 4.0815 9.1544 110.7932 45.8122 0.0000 174.1157 110 K 4.3340 7.9223 118.1601 57.8178 32.7302 176.7964 111 Q 4.6888 7.8646 117.3331 53.9409 31.8147 171.9383 112 P 4.4928 0.0000 0.0000 61.9056 32.0416 174.5417 113 P 4.8646 0.0000 0.0000 62.5792 32.4687 175.9242 114 V 4.2028 8.7041 122.2089 60.5147 32.8459 173.2375 115 P 5.0752 0.0000 0.0000 62.1528 31.9681 176.3058 116 Y 4.2348 9.1435 121.6655 58.0913 38.5222 177.0979 117 T 4.2814 9.0060 115.4209 60.9771 71.1948 175.5419 118 E 3.9469 8.7340 120.2112 59.9859 29.3903 179.7138 119 E 4.0355 8.1236 117.7505 59.4612 29.6352 179.2525 120 Q 4.1415 8.3168 118.1972 58.8387 28.6682 178.6533 121 Q 3.7591 8.6856 119.3876 59.0341 28.8148 178.8043 122 A 3.9445 8.0405 121.5191 55.1423 18.3892 179.5814 123 S 4.0150 8.1072 111.7713 61.6669 62.5955 176.9121 124 V 3.7740 7.8867 121.8329 64.5910 30.9271 178.3953 125 K 3.9163 8.0709 118.4048 59.2639 31.7483 178.7642 126 A 4.1177 7.9894 121.0141 55.0468 18.0697 179.5945 127 K 3.8595 7.9412 117.1498 59.3106 32.5271 178.3174 128 L 4.3137 8.0320 117.4800 55.5360 41.8370 178.6111 129 Q 3.9386 7.6808 120.2015 58.7248 28.8072 176.2094 130 P 4.2321 0.0000 0.0000 65.5864 31.8339 178.0182 131 L 4.0851 7.8353 118.5978 57.8822 42.1156 178.2941 132 L 3.9675 8.1833 120.6191 58.5408 41.8845 179.0007 133 E 4.0589 8.2514 118.1550 59.3482 29.1465 179.0562 134 Q 4.2364 7.7993 116.3772 57.6986 29.0391 177.3552 135 L 4.5484 7.8053 119.2930 54.5463 41.7453 176.5051 136 A 4.1897 7.7225 127.7096 52.4364 18.3315 177.5466 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 3.78 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 *2 F 8.54 4.46 0.00 3.01 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 3 Q 7.46 3.91 0.00 1.79 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 4 L 7.96 3.83 0.00 1.63 1.50 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 H 9.46 4.14 0.00 3.27 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.56 3.89 0.00 2.23 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 0.00 2.27 2.27 0.00 7 R 8.13 3.90 0.00 2.01 2.02 0.00 3.24 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 8 L 7.89 3.92 0.00 1.81 1.70 0.89 0.56 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 9 A 8.25 4.10 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 10 A 8.04 4.06 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 11 D 7.82 4.65 0.00 2.70 2.62 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 12 T 6.90 4.78 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 13 H 8.64 4.91 0.00 3.01 3.17 0.00 5.62 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 14 K 8.71 4.33 0.00 1.79 1.75 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.50 7.81 15 L 9.18 4.15 0.00 1.72 1.72 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.85 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 17 E 8.25 5.05 0.00 1.92 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 2.33 2.27 0.00 18 S 8.36 4.69 0.00 4.29 3.92 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 19 R 8.37 3.98 0.00 1.83 2.14 0.00 3.20 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 20 L 8.20 4.46 0.00 1.77 1.87 0.87 0.87 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 21 C 7.98 5.31 0.00 2.86 2.86 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 22 D 8.77 4.68 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 4.62 2.19 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 1.09 0.00 0.00 0.96 0.00 0.00 24 L 8.92 5.10 0.00 1.61 1.52 0.95 0.25 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 25 L 8.86 4.51 0.00 1.70 1.46 0.95 -0.29 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 *27 N 8.27 4.85 0.00 2.80 2.80 0.00 0.00 6.30 8.49 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 28 D 7.58 4.65 0.00 2.73 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 29 N 8.61 4.05 0.00 2.08 1.42 0.00 0.00 7.06 7.28 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 30 T 7.44 3.67 3.36 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 -0.29 0.00 0.00 31 W 7.76 5.22 0.00 3.39 2.82 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 0.00 0.00 0.00 32 P 0.00 4.46 0.00 1.42 0.58 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 33 W 8.78 5.72 0.00 3.50 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 34 V 9.41 4.88 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 1.06 0.00 0.00 1.06 0.00 0.00 35 I 9.12 5.26 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 1.00 0.00 0.00 36 L 8.92 4.99 0.00 1.68 1.62 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.60 4.52 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 1.28 0.00 0.00 1.01 0.00 0.00 38 P 0.00 4.44 0.00 1.91 1.92 0.00 3.90 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 2.11 0.00 39 R 7.91 2.51 0.00 1.52 1.34 0.00 3.26 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.33 0.00 40 V 6.69 4.39 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 0.86 0.00 0.00 0.89 0.00 0.00 41 S 8.83 4.37 0.00 4.07 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 42 G 8.80 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 0.00 0.00 0.00 43 I 7.64 4.32 1.88 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 1.71 1.04 0.87 0.00 0.00 44 R 9.07 4.95 0.00 1.79 1.90 0.00 3.06 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 45 E 7.47 4.58 0.00 1.16 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 2.01 1.84 0.00 46 I 8.31 3.64 1.88 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 1.45 0.64 0.93 0.00 0.00 47 Y 7.51 4.39 0.00 2.98 3.09 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 0.00 0.00 0.00 48 E 7.57 4.22 0.00 1.99 1.99 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 2.33 1.78 0.00 49 L 7.47 4.20 0.00 1.77 1.60 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.45 0.00 2.16 1.98 0.00 3.76 0.00 0.00 3.77 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 51 N 8.83 4.31 0.00 2.74 2.90 0.00 0.00 6.63 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 52 E 8.11 4.00 0.00 2.18 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 0.00 2.36 2.39 0.00 53 Q 8.03 4.04 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 54 Q 8.34 4.01 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 55 Q 8.32 4.03 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 56 R 8.15 3.98 0.00 1.94 1.94 0.00 3.18 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 57 L 8.27 3.95 0.00 1.87 1.86 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.14 3.94 0.00 1.83 1.90 0.94 0.95 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 59 F 8.30 4.00 0.00 3.24 3.23 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 60 E 8.59 3.91 0.00 2.22 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 2.51 2.70 0.00 61 S 8.47 4.07 0.00 3.98 4.08 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 0.00 0.00 0.00 0.00 62 S 8.31 4.07 0.00 3.83 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 63 A 7.73 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.82 3.85 0.00 1.60 1.82 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.05 4.30 0.00 3.86 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 66 E 8.03 4.27 0.00 1.95 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 2.32 2.32 0.00 67 G 7.87 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 *70 E 8.01 4.24 0.00 2.09 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 2.27 2.37 0.00 71 L 8.21 3.81 0.00 1.61 1.53 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.31 4.76 0.00 3.16 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 73 G 7.77 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.96 3.61 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 0.00 75 D 8.21 4.60 0.00 2.67 2.67 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 0.00 0.00 0.00 76 K 7.17 4.19 0.00 1.95 1.71 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.49 1.54 7.81 *78 N 8.71 4.74 0.00 2.44 2.62 0.00 0.00 6.25 7.68 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 79 V 8.53 5.30 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 0.75 0.00 0.00 0.93 0.00 0.00 80 A 8.42 4.63 0.99 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 81 A 8.48 4.43 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 82 L 8.66 4.10 0.00 1.28 1.20 -0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.10 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 84 N 8.14 4.33 0.00 2.69 2.83 0.00 0.00 7.04 7.68 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 *86 V 7.63 3.68 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 0.76 0.00 0.00 0.84 0.00 0.00 87 P 0.00 4.41 0.00 2.26 2.28 0.00 3.66 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 2.10 1.97 0.00 88 Q 7.87 4.38 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 89 L 8.49 4.14 0.00 1.68 1.59 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.54 5.11 0.00 3.15 3.19 0.00 5.53 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 91 L 8.99 4.76 0.00 1.76 1.63 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.30 5.12 0.00 3.42 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.59 4.95 0.00 3.32 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.48 4.78 1.30 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 -0.13 0.04 0.39 0.00 0.00 95 V 8.39 3.74 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 0.35 0.00 0.00 0.90 0.00 0.00 96 R 8.79 4.95 0.00 1.95 2.09 0.00 3.09 0.00 0.00 2.82 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.77 0.00 97 Y 8.83 4.86 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 2.00 0.00 1.64 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 99 G 7.13 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 0.00 100 D 7.89 4.68 0.00 3.14 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 0.00 101 P 0.00 4.51 0.00 1.82 1.93 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 102 A 9.08 3.87 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.27 4.43 0.00 3.79 3.14 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 0.00 104 P 0.00 3.07 0.00 1.47 0.93 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 105 G 7.44 3.72 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 0.00 0.00 0.00 106 P 0.00 4.11 0.00 2.10 2.04 0.00 3.60 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 2.05 2.05 0.00 107 V 6.61 3.04 0.67 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 -0.91 0.00 0.00 -1.22 0.00 0.00 108 W 7.13 4.32 0.00 3.39 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 0.00 109 G 9.15 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.92 4.33 0.00 2.07 2.03 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.62 7.81 111 Q 7.86 4.69 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 112 P 0.00 4.49 0.00 2.11 2.01 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 113 P 0.00 4.86 0.00 2.22 2.08 0.00 3.39 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 114 V 8.70 4.20 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 0.98 0.00 0.00 0.85 0.00 0.00 115 P 0.00 5.08 0.00 2.00 2.04 0.00 3.77 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 116 Y 9.14 4.23 0.00 2.93 2.89 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 0.00 117 T 9.01 4.28 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 1.25 0.00 0.00 118 E 8.73 3.95 0.00 2.04 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 0.00 2.41 2.44 0.00 119 E 8.12 4.04 0.00 2.03 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 2.41 2.41 0.00 120 Q 8.32 4.14 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 121 Q 8.69 3.76 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.55 0.00 122 A 8.04 3.94 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 0.00 123 S 8.11 4.02 0.00 3.96 4.09 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 0.00 0.00 0.00 124 V 7.89 3.77 2.23 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 0.56 0.00 0.00 1.19 0.00 0.00 125 K 8.07 3.92 0.00 1.90 1.89 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.51 7.81 126 A 7.99 4.12 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 0.00 127 K 7.94 3.86 0.00 1.86 2.03 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.31 7.81 128 L 8.03 4.31 0.00 1.88 1.72 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.68 3.94 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 130 P 0.00 4.23 0.00 2.04 2.10 0.00 3.87 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 2.01 2.13 0.00 131 L 7.84 4.09 0.00 1.75 1.82 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.18 3.97 0.00 1.80 1.87 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.25 4.06 0.00 2.26 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 2.34 2.51 0.00 134 Q 7.80 4.24 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 135 L 7.81 4.55 0.00 1.84 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.72 4.19 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 * Residues marked with a * may have inaccurate shift predictions.