NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5252 8.3349 116.8154 58.7827 64.2566 172.4663 1 L 4.4834 8.2551 118.6194 54.9762 43.5947 175.2598 2 I 4.9595 8.4303 119.2211 59.6824 41.5126 173.9263 3 R 4.7148 9.1065 127.2740 54.3657 34.6751 173.8432 4 I 4.8966 8.3497 122.0981 59.3206 40.9609 174.3436 5 G 5.0762 9.0946 114.5515 43.8063 0.0000 170.6652 6 H 5.4969 8.8044 119.4988 54.2385 33.2306 172.6839 7 G 4.3304 9.1072 110.8911 44.6596 0.0000 171.1024 8 F 5.5390 8.6229 123.3408 56.6531 42.6263 172.9157 9 D 4.5247 8.0659 123.6005 52.8892 45.0517 173.8575 10 V 4.5295 7.9314 121.8694 61.2591 35.2430 174.0199 11 H 4.8044 9.0675 125.9862 54.2066 32.3894 172.2349 12 A 4.2518 8.1540 127.8826 51.1557 19.4907 176.7228 13 F 4.7317 8.3365 121.2578 57.6413 39.5981 175.2257 14 G 4.5542 8.8576 109.3050 44.5136 0.0000 171.1217 15 E 4.9790 9.4627 117.3653 54.3726 33.4642 173.8108 16 D 5.7728 8.8098 120.8313 52.5418 43.6290 175.2117 17 R 4.9131 9.3447 122.2186 53.7387 33.1165 172.6338 18 P 5.0388 0.0000 0.0000 62.7491 32.6044 175.1968 19 L 4.8969 9.3409 121.1971 53.2119 46.6793 175.3659 20 I 4.7313 8.3427 121.4998 59.8249 39.0630 175.5717 21 I 4.3634 8.5386 128.6117 60.3382 39.5820 175.9639 22 G 3.9721 9.2842 115.2902 46.7868 0.0000 174.3184 23 G 3.8847 8.4698 106.3906 45.1495 0.0000 174.2234 24 V 4.3027 7.1413 120.0203 60.6012 33.2482 174.2938 25 E 4.6478 8.7249 127.0331 56.5810 29.9807 176.6214 26 V 4.7090 9.3191 118.2552 58.7652 36.3048 172.9839 27 P 4.8579 0.0000 0.0000 62.4978 32.7862 174.5911 28 Y 4.5880 9.3593 124.6930 56.0708 41.3840 173.3652 29 H 5.1955 8.3181 126.9044 55.2028 31.3206 173.9689 30 T 4.3312 9.5937 123.5114 63.1956 71.0167 175.5436 31 G 3.7847 8.6032 111.7673 44.0846 0.0000 172.4111 32 F 4.0049 8.4266 120.2301 58.2562 39.6910 175.2293 33 I 3.8017 7.0682 128.2216 60.0750 36.4535 175.6113 34 A 4.4348 8.1767 128.6681 52.3724 19.0028 176.4419 35 H 4.9854 8.5092 117.1687 54.9338 29.9502 173.4665 36 S 4.7991 7.9350 112.9126 58.7138 65.0000 173.4674 37 D 4.4938 8.7475 118.6388 53.3697 39.4290 177.0453 38 G 3.6587 7.9830 107.6197 46.6190 0.0000 175.0276 39 D 4.4778 8.5874 120.8976 53.6491 39.8304 176.7752 40 V 3.9140 8.3126 127.8775 63.8732 31.6823 178.0453 41 A 3.9673 7.9367 120.9478 54.9295 18.2515 179.4757 42 L 3.9934 8.2164 117.5046 57.8863 41.6330 179.3603 43 H 4.2332 8.3509 116.2113 58.8750 28.6970 177.6163 44 A 3.9550 8.0052 122.4283 55.1861 18.3096 179.4011 45 L 3.9129 7.8843 118.7457 58.6382 42.2213 179.4056 46 T 3.9525 8.2433 116.1468 66.7097 68.4090 176.5645 47 D 4.4036 8.4830 120.8355 56.9886 40.8073 178.7101 48 A 4.1329 8.1589 121.5602 55.2451 18.0694 179.8208 49 I 3.6856 7.6924 118.1557 64.5551 37.1399 178.7486 50 L 4.1099 7.9565 119.7323 57.6704 41.4998 179.8676 51 G 3.4592 8.2977 105.6440 47.6248 0.0000 175.7487 52 A 4.5534 8.2179 122.8293 53.6477 18.5087 178.3339 53 A 4.1729 7.3625 116.1798 50.7903 19.5127 176.5899 54 A 3.6473 7.5467 119.1986 53.7773 16.5117 178.4767 55 L 4.5441 8.8150 118.1282 55.7921 43.6784 177.2493 56 G 3.9772 9.9382 110.5242 44.1991 0.0000 176.0928 57 D 4.6403 8.6688 121.2441 51.7322 42.3216 174.9115 58 I 3.7146 9.6377 120.2798 64.1942 37.7705 177.0900 59 G 3.9826 7.9143 107.3438 45.6526 0.0000 174.5014 60 K 4.6118 8.0010 115.0225 56.3519 34.7299 177.5846 61 L 3.8971 7.9349 120.9599 57.0268 41.7752 177.4373 62 F 4.8834 7.5624 116.5017 55.8368 40.3659 172.7884 63 P 4.5119 0.0000 0.0000 62.5729 31.1360 177.3737 *70 K 3.9679 7.8023 120.0643 57.6790 32.6395 175.4621 71 N 4.3659 8.5809 111.4582 54.6732 39.0725 176.7707 72 A 4.0778 7.9839 120.6928 53.8154 18.9128 177.1869 73 D 4.8795 7.5851 115.7006 52.7538 43.2762 176.8867 74 S 4.4580 8.8217 123.1460 60.6284 62.9873 176.5509 75 R 4.2020 8.1029 121.5434 58.5297 29.8737 179.0146 76 G 3.6408 7.6564 106.1085 47.7308 0.0000 175.8986 77 L 4.1981 7.7194 120.1856 57.3157 41.6151 179.2566 78 L 3.9888 8.0072 120.2911 58.2672 42.0721 179.1698 79 R 4.0091 8.2428 118.0776 59.4777 30.1474 178.5429 80 E 3.9982 8.3970 118.7008 59.3215 29.4416 178.8552 81 A 3.9487 8.0913 120.7393 55.1311 18.4918 179.4151 82 F 4.1389 8.5131 119.3606 61.1635 39.4149 177.1752 83 R 3.7565 8.6723 118.7693 59.7426 29.8781 178.5578 84 Q 3.9543 7.9167 117.4974 58.9034 28.6968 179.0623 85 V 3.7312 7.8337 119.4131 66.0761 31.5495 178.1701 86 Q 4.3271 7.7478 119.1870 58.3962 28.2566 178.4574 87 E 4.1929 7.8000 118.6553 58.6066 29.4865 178.4753 88 K 4.3889 7.3361 114.9869 55.8872 32.8055 177.2634 89 G 3.7076 8.5665 108.8920 45.1603 0.0000 172.6215 90 Y 5.4245 7.6592 117.1367 56.0922 40.9792 174.6870 91 K 5.1867 9.2806 120.0975 55.0712 37.0040 175.2652 92 I 3.9815 8.6633 121.6459 61.6724 37.2074 176.2811 93 G 3.9567 9.4264 116.2865 46.9492 0.0000 173.0894 94 N 4.9027 7.4122 115.4945 51.5525 40.4344 173.0115 95 V 5.0343 8.6516 113.0344 59.7764 36.5281 174.1682 96 D 5.2314 8.8846 122.0424 52.7099 44.6780 174.0925 97 I 4.9748 8.8645 126.3017 59.7868 40.7591 174.7275 98 T 4.9242 9.0316 123.1808 61.8224 71.1796 173.1472 99 I 4.2877 9.0405 128.8862 60.7591 39.0331 175.5331 100 I 4.8934 8.8868 127.8045 59.8107 38.8509 174.3052 101 A 4.9098 8.5638 127.8689 49.5409 22.3911 176.1736 102 Q 4.1804 8.4054 122.2041 56.0210 28.4234 174.2349 103 A 4.8360 7.5299 119.9992 49.9076 22.1795 172.5368 104 P 4.5805 0.0000 0.0000 64.5742 33.7718 175.9087 105 K 4.0713 7.7109 120.8714 53.5022 32.7573 179.1413 *107 R 4.4860 8.5829 122.9779 54.8606 32.0314 176.2580 108 P 4.1996 0.0000 0.0000 65.3615 31.7724 176.9476 109 H 4.6434 7.9350 113.7842 56.8475 29.4782 177.1458 110 I 3.7786 7.2909 120.5112 64.6268 37.3081 176.9397 111 D 4.4625 8.3422 119.1457 57.6283 41.0223 179.7497 112 A 4.2980 7.5687 118.6182 52.7159 17.8863 179.4595 *114 R 4.1715 8.2325 119.3293 57.8794 32.2800 177.9540 115 A 3.9977 8.1692 119.4395 55.1966 18.2941 179.7565 116 K 3.8748 7.9035 116.6428 59.6939 32.1600 179.6827 117 I 3.6313 7.6785 119.1849 64.3205 37.1455 177.9760 118 A 3.9288 8.6288 122.4881 55.1979 18.0337 179.3371 119 E 3.8093 8.4053 117.9347 59.6609 29.6111 178.8272 120 D 4.4344 8.0418 116.8639 56.0510 40.9461 177.5768 121 L 3.2201 7.4017 117.3259 52.6414 42.8898 175.9680 122 Q 3.2871 7.3485 117.2209 56.9115 26.6902 171.7735 123 C 4.8358 7.8252 110.0392 56.2159 33.6821 173.2050 124 D 4.5572 8.8809 118.9038 53.6475 41.5134 176.9204 125 I 3.7996 8.1669 123.3768 63.4136 38.2614 177.4980 126 E 4.0432 8.2874 119.8522 58.4989 29.6154 177.0252 127 Q 4.3804 8.0320 116.6231 55.7893 29.2081 174.5844 128 V 4.7243 7.6795 118.8968 61.0031 33.6779 174.1479 129 N 5.1228 8.9518 126.5995 51.7637 41.8718 173.1929 130 V 5.0143 8.3320 124.3437 61.1324 34.9476 174.2668 131 K 4.8581 9.1173 124.7754 55.4342 36.5404 174.6350 132 A 5.2228 8.4646 121.5792 50.6846 22.1053 175.0963 133 T 4.7951 9.1434 115.2649 60.9330 71.7885 172.2344 134 T 4.8835 8.4455 114.3596 59.8377 72.2503 173.7084 135 T 4.3402 8.2370 108.2465 60.6551 69.3751 174.3575 136 E 3.6776 8.6324 118.5850 58.1209 27.1918 175.5941 137 K 4.2204 8.9678 113.3925 56.9659 31.3309 176.7367 138 L 4.4671 7.5062 119.3770 53.9169 43.6192 177.6372 139 G 4.2520 8.4421 110.6807 44.7220 0.0000 174.4679 140 F 4.3664 8.3301 113.2724 60.1143 37.5783 177.5135 141 T 4.2470 6.4520 111.4395 63.8901 68.4311 176.9019 142 G 3.9895 7.3534 109.5501 46.9148 0.0000 175.0548 143 R 4.3437 8.1322 117.5017 55.5057 30.6233 176.1862 144 Q 3.8009 7.8945 116.7820 57.3929 26.5623 174.1528 145 E 4.4131 8.3768 117.4784 56.4254 30.3118 176.6127 146 G 2.8323 6.5169 105.3155 45.0139 0.0000 171.3802 147 I 4.7662 7.3977 111.1803 59.3258 41.7059 173.8517 148 A 5.1298 8.6496 123.5631 51.0486 23.4615 174.1676 149 C 5.0583 8.2084 116.2560 58.6835 35.4878 172.3538 150 E 5.4632 9.2415 125.3700 54.7836 33.2048 174.2165 151 A 5.1598 8.8795 124.5834 50.9396 23.2885 175.6878 152 V 5.0109 8.6881 113.0104 59.6410 35.9132 174.7741 153 A 5.0694 8.9711 123.9739 50.2493 23.2913 174.7272 154 L 5.0200 8.7533 122.5810 53.3709 44.6862 175.4803 155 L 5.1162 9.2623 127.2343 53.6099 44.3824 175.7010 156 I 5.2666 8.7138 121.0145 59.6615 42.1602 174.7339 157 R 4.6204 8.3489 124.5823 55.8729 30.5018 176.9921 158 Q 4.1596 8.3864 121.4530 56.3649 28.8635 175.6715 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 S 8.33 4.53 0.00 4.03 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 1 L 8.26 4.48 0.00 1.71 1.72 0.93 0.27 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 2 I 8.43 4.96 1.91 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 0.85 0.94 0.00 0.00 3 R 9.11 4.71 0.00 1.35 1.71 0.00 3.28 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.08 0.00 4 I 8.35 4.90 1.86 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 1.47 0.90 0.00 0.00 5 G 9.09 5.08 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 6 H 8.80 5.50 0.00 3.13 3.12 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.11 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 0.00 0.00 0.00 0.00 8 F 8.62 5.54 0.00 2.97 2.94 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 0.00 9 D 8.07 4.52 0.00 2.62 2.28 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 10 V 7.93 4.53 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 0.57 0.00 0.00 0.83 0.00 0.00 11 H 9.07 4.80 0.00 3.23 3.12 0.00 5.82 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 12 A 8.15 4.25 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 13 F 8.34 4.73 0.00 2.99 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 14 G 8.86 4.55 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 0.00 0.00 0.00 15 E 9.46 4.98 0.00 1.95 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 2.19 2.41 0.00 16 D 8.81 5.77 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.34 4.91 0.00 1.86 2.02 0.00 2.75 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 18 P 0.00 5.04 0.00 2.11 2.10 0.00 3.73 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 1.99 2.01 0.00 19 L 9.34 4.90 0.00 1.53 1.51 0.67 0.60 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 20 I 8.34 4.73 1.86 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 1.34 0.58 0.91 0.00 0.00 21 I 8.54 4.36 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.76 0.92 0.00 0.00 22 G 9.28 3.97 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 0.00 23 G 8.47 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.14 4.30 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 1.08 0.00 0.00 1.00 0.00 0.00 25 E 8.72 4.65 0.00 1.90 1.89 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 2.32 2.34 0.00 26 V 9.32 4.71 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 0.80 0.00 0.00 1.04 0.00 0.00 27 P 0.00 4.86 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 28 Y 9.36 4.59 0.00 2.98 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 29 H 8.32 5.20 0.00 3.04 3.00 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.59 4.33 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 1.25 0.00 0.00 31 G 8.60 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 32 F 8.43 4.00 0.00 2.97 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 33 I 7.07 3.80 1.40 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 1.24 0.45 0.61 0.00 0.00 34 A 8.18 4.43 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 35 H 8.51 4.99 0.00 3.16 3.26 0.00 5.74 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.93 4.80 0.00 4.08 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 37 D 8.75 4.49 0.00 2.77 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.98 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.59 4.48 0.00 2.72 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.91 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 1.07 0.00 0.00 1.00 0.00 0.00 41 A 7.94 3.97 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 42 L 8.22 3.99 0.00 1.64 1.70 0.91 1.06 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 43 H 8.35 4.23 0.00 3.21 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.01 3.95 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 45 L 7.88 3.91 0.00 1.85 1.89 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.24 3.95 4.47 0.00 0.00 0.00 0.00 0.00 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 47 D 8.48 4.40 0.00 2.83 2.73 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 48 A 8.16 4.13 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 49 I 7.69 3.69 1.91 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 0.84 0.98 0.00 0.00 50 L 7.96 4.11 0.00 1.73 1.71 0.92 0.82 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 51 G 8.30 3.46 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 0.00 0.00 0.00 0.00 52 A 8.22 4.55 1.20 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 0.00 0.00 0.00 53 A 7.36 4.17 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 54 A 7.55 3.65 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 55 L 8.82 4.54 0.00 1.72 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.94 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 57 D 8.67 4.64 0.00 2.93 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 58 I 9.64 3.71 1.99 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 1.26 1.35 0.89 0.00 0.00 59 G 7.91 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 0.00 0.00 0.00 60 K 8.00 4.61 0.00 1.68 1.73 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 61 L 7.93 3.90 0.00 1.53 1.24 0.95 0.69 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 62 F 7.56 4.88 0.00 3.03 2.88 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 0.00 0.00 0.00 63 P 0.00 4.51 0.00 2.20 2.16 0.00 3.87 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 *70 K 7.80 3.97 0.00 1.75 1.69 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 71 N 8.58 4.37 0.00 2.86 2.89 0.00 0.00 6.76 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 72 A 7.98 4.08 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 73 D 7.59 4.88 0.00 2.69 2.53 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 0.00 0.00 0.00 0.00 74 S 8.82 4.46 0.00 3.97 3.82 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 75 R 8.10 4.20 0.00 1.82 1.98 0.00 3.11 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 76 G 7.66 3.64 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 0.00 0.00 0.00 77 L 7.72 4.20 0.00 1.97 1.82 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.01 3.99 0.00 1.91 1.87 0.94 0.97 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 79 R 8.24 4.01 0.00 2.11 2.07 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 80 E 8.40 4.00 0.00 2.24 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 1.47 2.04 0.00 81 A 8.09 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.51 4.14 0.00 3.07 3.28 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 83 R 8.67 3.76 0.00 2.02 2.07 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 84 Q 7.92 3.95 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 85 V 7.83 3.73 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 1.13 0.00 0.00 0.96 0.00 0.00 86 Q 7.75 4.33 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 87 E 7.80 4.19 0.00 2.12 1.98 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 2.30 2.51 0.00 88 K 7.34 4.39 0.00 2.04 1.89 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 89 G 8.57 3.71 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 0.00 0.00 0.00 90 Y 7.66 5.42 0.00 3.10 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 91 K 9.28 5.19 0.00 1.88 2.19 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.49 7.81 92 I 8.66 3.98 1.93 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.96 0.00 0.00 93 G 9.43 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 94 N 7.41 4.90 0.00 2.84 2.87 0.00 0.00 5.80 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 95 V 8.65 5.03 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 0.67 0.00 0.00 0.98 0.00 0.00 96 D 8.88 5.23 0.00 2.72 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 97 I 8.86 4.97 1.87 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 1.23 0.59 0.97 0.00 0.00 98 T 9.03 4.92 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 1.23 0.00 0.00 99 I 9.04 4.29 1.88 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 1.23 0.74 0.93 0.00 0.00 100 I 8.89 4.89 1.88 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 1.18 1.19 0.86 0.00 0.00 101 A 8.56 4.91 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 0.00 102 Q 8.41 4.18 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 103 A 7.53 4.84 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 0.00 104 P 0.00 4.58 0.00 2.17 2.01 0.00 3.79 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 1.90 1.93 0.00 105 K 7.71 4.07 0.00 1.80 1.66 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *107 R 8.58 4.49 0.00 1.93 2.03 0.00 3.15 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 108 P 0.00 4.20 0.00 1.79 2.01 0.00 3.62 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 1.96 2.06 0.00 109 H 7.93 4.64 0.00 3.19 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.29 3.78 2.00 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 1.38 0.74 0.95 0.00 0.00 111 D 8.34 4.46 0.00 2.73 2.73 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 0.00 112 A 7.57 4.30 1.41 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 *114 R 8.23 4.17 0.00 2.08 2.01 0.00 3.14 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 115 A 8.17 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 0.00 116 K 7.90 3.87 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.73 7.81 117 I 7.68 3.63 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.87 0.00 0.00 118 A 8.63 3.93 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 0.00 119 E 8.41 3.81 0.00 2.04 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 2.28 2.33 0.00 120 D 8.04 4.43 0.00 2.62 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 0.00 121 L 7.40 3.22 0.00 1.34 1.25 0.86 0.65 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 0.00 122 Q 7.35 3.29 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 123 C 7.83 4.84 0.00 3.26 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 0.00 124 D 8.88 4.56 0.00 2.73 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 0.00 125 I 8.17 3.80 1.86 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 1.29 1.17 0.90 0.00 0.00 126 E 8.29 4.04 0.00 2.18 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 2.32 2.43 0.00 127 Q 8.03 4.38 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 128 V 7.68 4.72 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 0.73 0.00 0.00 0.90 0.00 0.00 129 N 8.95 5.12 0.00 2.87 2.73 0.00 0.00 6.13 7.86 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 0.00 130 V 8.33 5.01 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.12 4.86 0.00 1.82 1.83 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.40 7.81 132 A 8.46 5.22 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 0.00 133 T 9.14 4.80 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 1.26 0.00 0.00 134 T 8.45 4.88 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 1.29 0.00 0.00 135 T 8.24 4.34 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 1.11 0.00 0.00 136 E 8.63 3.68 0.00 2.12 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 2.25 2.24 0.00 137 K 8.97 4.22 0.00 1.85 1.98 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.41 7.81 138 L 7.51 4.47 0.00 1.79 1.53 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.44 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 0.00 0.00 0.00 0.00 140 F 8.33 4.37 0.00 3.31 3.30 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 0.00 141 T 6.45 4.25 4.13 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 0.00 0.00 0.95 0.00 0.00 142 G 7.35 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 0.00 143 R 8.13 4.34 0.00 1.84 2.03 0.00 3.32 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 144 Q 7.89 3.80 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 145 E 8.38 4.41 0.00 2.13 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 2.32 2.31 0.00 146 G 6.52 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 0.00 0.00 0.00 147 I 7.40 4.77 1.92 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 1.27 1.19 1.11 0.00 0.00 148 A 8.65 5.13 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 0.00 149 C 8.21 5.06 0.00 2.95 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 0.00 150 E 9.24 5.46 0.00 2.24 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 2.29 2.56 0.00 151 A 8.88 5.16 1.19 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 0.00 152 V 8.69 5.01 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 0.75 0.00 0.00 0.95 0.00 0.00 153 A 8.97 5.07 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 0.00 154 L 8.75 5.02 0.00 1.76 1.51 0.98 0.40 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 0.00 155 L 9.26 5.12 0.00 1.22 1.33 0.61 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.71 5.27 1.95 0.00 0.00 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 1.28 0.70 1.01 0.00 0.00 157 R 8.35 4.62 0.00 1.68 1.82 0.00 3.05 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 158 Q 8.39 4.16 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.