NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7937 8.2127 109.7361 45.4241 0.0000 175.0324 *2 L 4.2141 7.7903 123.7219 54.8445 44.0456 178.7805 3 E 3.9985 8.0737 117.6378 59.3607 29.4139 178.9172 4 S 4.1144 8.2240 113.2807 61.4786 62.4213 176.5067 5 V 3.6605 7.7325 120.4705 65.9008 31.4151 177.7850 6 R 3.9755 7.9472 118.1110 59.2076 29.8423 178.5130 7 K 4.0530 8.0702 119.5495 59.3283 32.2128 178.3065 8 E 3.9656 8.0318 118.5926 59.4977 29.2607 178.9557 9 W 4.2618 8.1215 126.5812 60.9694 30.7780 177.7125 10 L 3.9639 8.0243 117.2024 57.7116 41.3050 179.0455 11 E 4.1402 8.3264 118.6834 59.1562 29.3019 180.0418 12 I 3.4743 7.4392 117.5991 61.8552 36.9695 177.7146 *14 D 4.4833 8.0936 122.0119 54.4532 43.0015 178.0864 15 R 3.8475 7.9334 118.6855 59.3290 29.9174 178.3605 16 E 3.9315 8.2078 118.4533 59.5135 29.4241 179.4033 17 L 3.9515 7.7799 118.4405 57.4845 41.6375 179.1962 18 L 3.9282 8.0792 120.3781 58.3502 42.2025 178.9868 19 E 3.9518 8.2475 118.5201 59.1386 29.4260 179.2985 20 K 3.9422 8.4081 119.8675 59.3857 32.2119 178.7198 21 A 3.9886 8.4014 121.5487 55.0050 18.2631 179.4714 22 R 3.8003 8.1725 117.2800 59.8851 30.0677 178.9747 23 S 4.1557 7.9015 114.3079 61.5333 62.5625 176.8263 24 L 4.2273 7.6884 120.5729 57.7925 41.8502 179.3576 25 I 3.8067 8.0875 120.0860 64.5646 37.0371 178.3257 26 N 4.4319 8.1908 116.3868 55.5275 38.0674 177.1880 27 A 3.7540 7.5979 121.8569 52.4596 19.1025 176.7728 28 N 4.1980 7.8740 113.1178 54.4842 35.1284 174.4675 29 Y 4.2467 7.5310 115.0867 57.9075 38.9472 178.1844 30 I 3.9724 8.4707 116.3202 63.3102 38.8869 176.5716 31 S 4.6078 7.5668 117.7319 58.3295 62.5741 173.9533 32 T 5.0816 7.6375 116.8339 62.7547 72.1273 175.0131 33 T 5.1920 8.5965 115.2491 59.6944 73.1430 172.3421 34 L 4.7592 8.6143 123.3731 53.3827 45.3926 175.0834 35 S 5.2652 8.7246 122.7317 57.2041 65.6484 173.4059 36 T 5.1974 8.8316 113.4634 60.5687 72.8297 172.5229 37 V 5.0171 8.0362 119.3387 60.5899 34.4068 173.9314 38 D 4.7190 8.5926 125.3145 52.5284 41.5422 178.1184 39 R 3.7352 8.9891 116.9587 58.8357 28.7244 174.5486 40 N 4.7378 8.3713 112.9712 53.5286 38.4624 175.5464 41 Y 3.5744 7.4352 114.0618 58.6909 36.2760 169.2187 42 E 4.2535 7.8247 121.5925 56.1000 30.2173 176.3606 43 V 4.3808 8.3839 125.3141 62.4317 32.7288 174.4545 44 N 5.1970 9.2457 124.9473 51.9933 42.9243 172.5778 45 I 5.1325 8.0864 120.8693 59.6524 41.3598 173.6672 46 A 4.7131 8.6477 128.8783 50.1832 23.1980 175.2994 47 V 4.1907 8.2690 120.2385 62.8611 32.3286 175.6912 48 I 4.6071 8.7942 128.9186 60.0342 39.6156 175.1340 49 S 4.6500 8.8595 120.7446 58.0731 64.9575 175.3055 50 V 4.1015 7.5918 122.3260 62.1509 29.7286 174.3221 51 L 5.3243 7.9720 122.9684 52.9442 46.2327 175.4465 52 E 4.7627 8.3898 120.0384 55.9451 33.8712 173.3176 *54 I 4.1681 8.4454 117.6456 62.2436 39.1988 174.9060 55 G 3.7958 8.5499 113.9890 47.3288 0.0000 174.5174 56 D 4.8619 8.8175 121.4616 54.3618 42.4229 176.2383 57 D 5.0142 7.9587 116.9983 52.9636 41.5822 174.7306 58 T 5.3117 7.9275 113.0881 62.4055 72.6060 173.4037 59 I 4.9304 8.7964 125.6769 59.4680 40.9532 174.4393 60 I 5.0898 9.0101 120.4114 59.4476 40.6299 174.1320 61 C 5.3943 9.0079 123.5726 57.7219 35.2501 172.6005 62 A 4.5623 9.0490 128.8503 51.7292 19.1425 176.7465 63 R 4.3303 9.1417 124.0406 54.7595 31.4096 175.7369 64 F 5.0395 8.1426 121.2841 56.6654 41.2500 176.4230 65 G 3.7419 6.4509 105.2265 43.6161 0.0000 173.6233 66 A 3.6920 8.6565 123.4292 52.4822 16.2010 179.3948 67 D 4.3816 8.1527 121.5539 58.4906 41.2061 178.4447 68 K 3.9661 7.9562 119.3985 59.7412 32.3093 178.6455 69 T 3.8408 7.9010 115.5895 66.8719 68.3849 175.7277 70 Y 4.0664 8.5333 121.4510 60.6197 38.9474 177.7430 71 A 3.8129 8.2099 121.7192 55.1351 18.4943 179.2425 72 N 4.1776 8.4782 115.2974 56.6108 38.6729 177.5506 73 L 4.0243 7.7558 120.1520 57.8756 41.4582 179.8747 74 K 3.8799 7.5488 117.4128 58.8833 31.9228 179.1034 75 E 4.0946 7.7108 118.3888 58.9324 29.8572 178.2378 76 T 4.3871 8.4230 108.4967 60.6285 70.3121 176.5583 77 G 3.9997 8.0624 109.3502 45.3446 0.0000 173.0133 78 K 4.9632 7.3365 118.5400 55.4626 34.1915 175.9328 79 G 4.1088 8.6953 109.2460 45.9956 0.0000 172.2036 80 V 4.6434 7.9045 118.2917 60.4572 34.9231 175.0775 81 F 5.6220 8.8327 123.9626 55.4271 42.3368 174.2812 *83 V 4.1768 8.0928 118.4376 63.3935 32.5536 174.3624 84 L 5.0260 8.3644 130.2520 53.2109 43.9669 175.3484 85 L 4.7233 8.7474 126.5700 53.2284 44.4373 175.4842 86 T 5.0089 8.1009 116.2717 61.1039 69.9800 173.2453 87 D 4.4664 8.9000 125.6380 54.6372 41.2484 177.1899 88 N 4.6509 8.1350 115.3042 53.9052 36.2923 174.0516 89 D 4.6839 7.2491 114.1304 53.6824 43.5114 175.9467 90 K 4.4932 8.1106 120.3659 56.8557 35.7177 177.0771 91 S 4.7023 7.8333 114.7284 57.9163 64.2665 173.6402 92 K 5.0078 8.3184 121.4666 55.9176 35.6248 174.3626 93 D 4.4389 8.6113 121.1307 53.3633 45.2828 174.2793 94 G 4.0882 7.5496 106.2139 46.4773 0.0000 171.5464 95 I 4.4046 7.3930 121.0301 60.2686 41.2643 175.0204 96 R 4.7045 8.9064 125.4692 54.2864 33.4243 174.7573 97 V 4.6743 8.6534 124.5461 61.2601 33.9187 173.9506 98 Y 4.6448 9.0846 127.2071 57.7651 39.2617 175.4651 99 V 5.1832 9.1071 116.4230 59.8908 37.1187 174.0947 100 E 5.2959 9.0340 120.3453 54.3345 33.6697 175.1987 101 L 4.0712 9.0308 127.2130 55.9256 42.0520 176.3445 102 S 4.6530 9.7557 122.9898 59.9416 64.3032 174.4479 103 A 4.6200 7.5074 119.0617 50.2631 22.9641 174.6642 104 D 4.9749 8.6731 118.8210 52.4773 42.9750 174.2124 105 L 4.8151 9.0178 125.7363 53.0734 43.8665 177.4628 106 Q 4.0951 8.6699 120.5459 56.0960 30.2482 174.9231 107 E 4.1447 7.7353 113.5877 54.6846 32.6423 172.4603 108 G 3.8575 8.7732 104.1315 44.0172 0.0000 174.4464 109 E 3.8456 8.8336 118.2518 58.9323 29.3811 178.3404 110 Y 3.9560 7.8564 116.7309 60.9420 38.2910 177.4826 111 F 4.1514 8.4224 121.1428 61.4800 39.5823 176.4926 112 D 4.3573 8.9965 118.1449 57.1062 41.0894 178.2122 113 R 3.8718 8.3097 119.9618 59.2827 30.0104 178.3189 114 I 3.8375 7.9806 120.9630 64.2572 37.9149 178.6935 115 K 3.8424 7.6246 124.4925 59.5169 31.2496 182.8613 116 K 4.1406 7.7744 118.8456 59.2874 32.2093 179.1620 117 R 3.9993 7.9076 118.8684 59.3119 29.8977 178.3151 118 L 3.9962 8.2292 120.4898 58.2527 41.8400 178.6725 119 D 4.4676 8.1279 120.3392 56.8846 40.7957 177.0372 120 N 4.9388 7.7040 115.6677 52.3098 38.3363 179.0772 121 T 4.8117 7.4507 115.4125 62.5301 72.8964 175.5213 122 T 3.7241 8.2225 118.3455 66.6062 68.5583 175.0036 123 Y 4.7855 7.3516 117.9822 57.6770 38.0539 177.0336 124 K 3.8950 7.6830 124.0187 59.8531 32.1186 177.6133 125 N 4.4596 8.0145 112.7793 54.1506 38.7884 174.5706 126 F 4.4480 7.9327 118.9410 54.9445 39.8105 174.0229 127 P 4.2153 0.0000 0.0000 62.7931 31.3649 175.7024 128 L 4.3005 8.5085 124.6418 54.7992 41.8296 176.1634 129 K 4.3973 8.8602 127.0719 58.9877 32.7982 177.3687 130 N 5.3954 8.0578 114.7967 51.8491 43.8038 173.3526 131 C 5.1475 9.6907 121.8991 57.8598 33.8308 172.5451 132 L 4.6934 8.7714 127.6790 53.8807 42.6689 176.0645 133 V 4.7274 8.6853 124.2348 61.1762 33.6981 174.3758 134 F 5.0978 9.5408 126.4333 55.6249 42.5827 174.0906 135 K 4.9783 9.1517 123.8687 55.1606 33.9274 175.4256 136 I 4.3118 8.5761 129.3215 61.5089 37.1602 175.7552 137 V 4.1323 8.8838 127.7001 64.6141 32.6381 175.8975 138 K 4.6259 7.7677 118.4956 55.4220 35.6084 174.0523 139 I 5.0897 8.4627 125.9120 59.6305 39.7125 174.8151 140 L 5.0761 9.0073 126.7125 51.8041 44.8162 174.6856 141 P 4.7202 0.0000 0.0000 62.3372 32.0745 177.4714 142 V 3.6334 8.2958 119.0112 66.0303 31.3883 176.1776 143 S 4.2806 7.1693 108.3262 57.3408 63.9397 174.7799 144 L 4.0276 8.5626 127.0453 54.4713 41.3465 176.9321 145 L 4.5392 8.4456 128.0946 53.8212 43.8955 176.9001 146 R 4.2288 8.6020 123.5528 56.3820 29.4876 172.9669 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 8.21 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 7.79 4.21 0.00 1.75 1.70 0.89 0.94 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 3 E 8.07 4.00 0.00 2.29 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 2.40 1.93 0.00 4 S 8.22 4.11 0.00 3.99 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 5 V 7.73 3.66 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 1.01 0.00 0.00 0.94 0.00 0.00 6 R 7.95 3.98 0.00 2.03 2.09 0.00 3.09 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 7 K 8.07 4.05 0.00 1.94 2.00 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 8 E 8.03 3.97 0.00 2.31 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 2.37 2.39 0.00 9 W 8.12 4.26 0.00 3.39 3.52 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 10 L 8.02 3.96 0.00 1.90 1.76 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.33 4.14 0.00 2.18 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 2.32 2.35 0.00 12 I 7.44 3.47 1.78 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 1.48 0.42 0.76 0.00 0.00 *14 D 8.09 4.48 0.00 2.88 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 15 R 7.93 3.85 0.00 1.82 2.01 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 16 E 8.21 3.93 0.00 2.05 1.92 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 2.33 2.23 0.00 17 L 7.78 3.95 0.00 1.82 1.71 0.90 0.52 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 18 L 8.08 3.93 0.00 1.75 1.82 0.93 0.89 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 19 E 8.25 3.95 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 2.46 2.45 0.00 20 K 8.41 3.94 0.00 1.86 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 21 A 8.40 3.99 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 22 R 8.17 3.80 0.00 1.99 2.10 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 23 S 7.90 4.16 0.00 3.96 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 24 L 7.69 4.23 0.00 1.80 1.79 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.09 3.81 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.72 0.00 0.00 26 N 8.19 4.43 0.00 2.80 2.83 0.00 0.00 6.99 7.65 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 27 A 7.60 3.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.20 0.00 2.83 2.91 0.00 0.00 7.02 6.77 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 29 Y 7.53 4.25 0.00 3.02 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 30 I 8.47 3.97 1.96 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 1.57 0.59 0.99 0.00 0.00 31 S 7.57 4.61 0.00 4.09 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 32 T 7.64 5.08 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 1.29 0.00 0.00 33 T 8.60 5.19 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 1.21 0.00 0.00 34 L 8.61 4.76 0.00 1.37 1.30 -0.49 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.72 5.27 0.00 3.68 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 36 T 8.83 5.20 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 1.12 0.00 0.00 37 V 8.04 5.02 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 0.66 0.00 0.00 0.96 0.00 0.00 38 D 8.59 4.72 0.00 3.00 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 39 R 8.99 3.74 0.00 1.84 1.90 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 40 N 8.37 4.74 0.00 2.87 2.87 0.00 0.00 6.87 6.82 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 41 Y 7.44 3.57 0.00 3.19 3.08 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 42 E 7.82 4.25 0.00 2.17 1.90 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 2.50 2.47 0.00 43 V 8.38 4.38 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 0.75 0.00 0.00 1.02 0.00 0.00 44 N 9.25 5.20 0.00 2.78 2.55 0.00 0.00 6.49 7.32 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 45 I 8.09 5.13 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.89 0.00 0.00 46 A 8.65 4.71 1.14 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 47 V 8.27 4.19 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 0.92 0.00 0.00 0.93 0.00 0.00 48 I 8.79 4.61 2.00 0.00 0.00 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 1.41 1.03 1.02 0.00 0.00 49 S 8.86 4.65 0.00 4.05 4.05 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 50 V 7.59 4.10 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 1.13 0.00 0.00 1.18 0.00 0.00 51 L 7.97 5.32 0.00 1.40 1.34 0.30 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.39 4.76 0.00 2.02 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 0.00 2.21 2.12 0.00 *54 I 8.45 4.17 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.07 1.00 0.00 0.00 55 G 8.55 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 56 D 8.82 4.86 0.00 2.67 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 57 D 7.96 5.01 0.00 2.69 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 58 T 7.93 5.31 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 59 I 8.80 4.93 2.00 0.00 0.00 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 1.19 0.75 0.78 0.00 0.00 60 I 9.01 5.09 1.99 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 1.34 0.87 1.06 0.00 0.00 61 C 9.01 5.39 0.00 3.35 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 62 A 9.05 4.56 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 63 R 9.14 4.33 0.00 1.85 1.91 0.00 2.88 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 64 F 8.14 5.04 0.00 3.21 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 65 G 6.45 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 66 A 8.66 3.69 1.21 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 67 D 8.15 4.38 0.00 2.71 2.76 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 68 K 7.96 3.97 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 69 T 7.90 3.84 4.38 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 1.20 0.00 0.00 70 Y 8.53 4.07 0.00 3.02 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 71 A 8.21 3.81 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 72 N 8.48 4.18 0.00 2.84 3.03 0.00 0.00 7.06 6.41 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 73 L 7.76 4.02 0.00 1.75 1.67 1.16 0.92 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 74 K 7.55 3.88 0.00 1.60 1.66 0.00 1.43 0.00 0.00 1.38 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.77 0.90 7.81 75 E 7.71 4.09 0.00 2.02 1.91 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 0.00 2.26 2.42 0.00 76 T 8.42 4.39 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 1.08 0.00 0.00 77 G 8.06 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 0.00 0.00 0.00 78 K 7.34 4.96 0.00 1.61 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 79 G 8.70 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 0.00 0.00 0.00 80 V 7.90 4.64 1.66 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 0.55 0.00 0.00 0.06 0.00 0.00 81 F 8.83 5.62 0.00 2.77 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 *83 V 8.09 4.18 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 0.91 0.00 0.00 0.96 0.00 0.00 84 L 8.36 5.03 0.00 1.65 1.48 0.95 0.74 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 85 L 8.75 4.72 0.00 1.44 1.34 0.56 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.10 5.01 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 1.25 0.00 0.00 87 D 8.90 4.47 0.00 2.74 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 88 N 8.13 4.65 0.00 2.89 2.89 0.00 0.00 6.62 8.12 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 89 D 7.25 4.68 0.00 2.39 2.41 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 90 K 8.11 4.49 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 91 S 7.83 4.70 0.00 3.85 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 K 8.32 5.01 0.00 1.93 1.70 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.00 7.81 93 D 8.61 4.44 0.00 2.67 2.45 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 94 G 7.55 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 95 I 7.39 4.40 1.86 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 1.35 0.48 0.90 0.00 0.00 96 R 8.91 4.70 0.00 1.80 1.43 0.00 3.13 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 97 V 8.65 4.67 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 0.88 0.00 0.00 0.92 0.00 0.00 98 Y 9.08 4.64 0.00 3.14 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 99 V 9.11 5.18 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 0.93 0.00 0.00 0.45 0.00 0.00 100 E 9.03 5.30 0.00 1.96 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 2.26 2.29 0.00 101 L 9.03 4.07 0.00 1.58 1.53 0.47 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.76 4.65 0.00 3.78 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 0.00 103 A 7.51 4.62 1.08 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 0.00 104 D 8.67 4.97 0.00 2.63 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 0.00 105 L 9.02 4.82 0.00 1.85 1.62 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.67 4.10 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 107 E 7.74 4.14 0.00 1.92 1.59 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 2.12 2.19 0.00 108 G 8.77 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 0.00 109 E 8.83 3.85 0.00 2.03 1.58 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 2.37 1.97 0.00 110 Y 7.86 3.96 0.00 3.15 3.08 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 0.00 111 F 8.42 4.15 0.00 3.21 3.29 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 0.00 112 D 9.00 4.36 0.00 3.00 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 0.00 113 R 8.31 3.87 0.00 1.83 1.91 0.00 3.21 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 114 I 7.98 3.84 1.97 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 1.38 1.34 0.86 0.00 0.00 115 K 7.62 3.84 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 116 K 7.77 4.14 0.00 2.14 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.32 7.81 117 R 7.91 4.00 0.00 1.90 2.09 0.00 3.11 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 118 L 8.23 4.00 0.00 1.86 1.78 0.75 1.45 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 0.00 119 D 8.13 4.47 0.00 2.86 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 0.00 120 N 7.70 4.94 0.00 2.72 2.68 0.00 0.00 6.77 8.82 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 0.00 121 T 7.45 4.81 4.35 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 1.28 0.00 0.00 122 T 8.22 3.72 3.20 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 0.94 0.00 0.00 123 Y 7.35 4.79 0.00 2.53 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 0.00 0.00 0.00 124 K 7.68 3.89 0.00 2.14 1.81 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.31 7.81 125 N 8.01 4.46 0.00 2.55 2.65 0.00 0.00 6.87 7.45 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 0.00 126 F 7.93 4.45 0.00 2.84 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 0.00 127 P 0.00 4.22 0.00 2.26 2.13 0.00 3.86 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 2.10 2.01 0.00 128 L 8.51 4.30 0.00 1.57 1.64 1.05 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.86 4.40 0.00 1.78 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.64 7.81 130 N 8.06 5.40 0.00 2.65 2.82 0.00 0.00 6.55 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 0.00 131 C 9.69 5.15 0.00 3.06 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 0.00 132 L 8.77 4.69 0.00 1.61 1.11 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.69 4.73 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 0.88 0.00 0.00 0.80 0.00 0.00 134 F 9.54 5.10 0.00 3.13 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 0.00 135 K 9.15 4.98 0.00 1.93 1.73 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.28 7.81 136 I 8.58 4.31 1.92 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 1.18 0.84 0.97 0.00 0.00 137 V 8.88 4.13 2.30 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 0.73 0.00 0.00 1.00 0.00 0.00 138 K 7.77 4.63 0.00 1.85 1.54 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.50 7.81 139 I 8.46 5.09 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.99 0.00 0.00 140 L 9.01 5.08 0.00 1.77 1.61 0.92 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 0.00 141 P 0.00 4.72 0.00 2.23 2.20 0.00 3.75 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 2.10 1.97 0.00 142 V 8.30 3.63 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 0.83 0.00 0.00 0.95 0.00 0.00 143 S 7.17 4.28 0.00 3.98 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 0.00 144 L 8.56 4.03 0.00 1.68 1.70 0.94 0.97 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 0.00 145 L 8.45 4.54 0.00 1.53 1.54 0.93 0.96 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 0.00 146 R 8.60 4.23 0.00 1.87 1.67 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.