NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.1689 8.1744 115.2491 61.8855 69.3913 173.5824 8 D 4.4110 7.8141 122.2559 50.8332 40.7290 174.1671 9 P 4.4136 0.0000 0.0000 65.2165 32.4732 177.0508 10 R 4.2448 8.0863 116.2746 56.6157 30.5981 176.7451 11 A 4.1977 7.5893 120.7632 51.2554 18.9628 177.2703 12 K 4.0360 8.4762 121.4128 56.2011 32.7764 176.6143 13 W 4.2413 8.8468 135.0000 57.1892 31.2732 175.3956 14 V 4.0705 7.4082 124.9028 59.9079 32.2163 173.2979 15 P 3.9171 0.0000 0.0000 62.3573 32.1506 175.6383 16 Q 4.7018 8.6144 117.2583 54.6395 31.5590 174.6986 17 D 5.6447 8.6316 117.0298 54.5336 41.7143 175.9505 18 N 4.9738 8.9280 113.9405 52.1285 38.7261 173.9485 19 D 4.3064 8.0353 118.8326 53.5990 42.7160 175.4509 20 I 2.7005 7.9394 121.0705 62.6983 37.9044 176.7409 21 Q 4.2011 8.2491 118.7099 56.2846 28.9276 175.3820 22 A 4.8507 7.5021 121.8120 50.4316 21.0283 178.0813 23 C 4.5362 8.7385 117.6537 61.9947 28.6878 174.2692 24 D 4.9171 8.1214 118.6748 53.1841 40.4997 175.5949 25 Y 4.8400 8.2514 122.7122 57.9736 39.1804 176.8279 26 W 4.5843 8.2163 124.3430 60.0181 28.0382 177.8753 27 R 3.4264 5.8678 117.1303 58.0292 29.8227 176.3262 28 H 5.1423 8.3723 116.2074 56.1527 28.9337 174.7550 29 C 3.2727 8.3246 117.4732 56.9726 42.6608 173.7735 30 S 5.0046 8.1873 114.6543 56.5616 62.4673 173.9295 31 I 3.3338 7.4253 118.4142 60.2988 39.3098 174.2508 32 D 4.8785 9.2674 127.0284 54.3586 44.0281 173.1755 33 G 4.2698 7.6251 120.3747 44.4800 0.0000 174.1185 34 N 5.4371 9.1435 122.7997 51.0498 42.5684 173.2408 35 I 4.2488 8.2415 122.9167 60.8193 37.9439 177.2841 36 C 4.1351 8.5384 123.8472 62.6072 28.5637 175.4769 37 D 4.4370 8.2247 118.8710 57.1351 40.6940 177.0521 38 C 4.6056 7.9790 114.4572 59.7416 28.3230 173.7298 39 S 4.6337 8.3113 114.4360 58.1884 62.8907 174.9982 40 G 4.0321 8.6850 108.4832 46.0275 0.0000 174.6964 41 G 4.3364 7.4328 111.4173 45.0507 0.0000 171.3016 42 S 5.1314 8.2720 113.9267 56.1732 66.3064 173.9020 43 L 3.9362 8.7277 120.6966 58.3044 41.6525 178.9038 44 T 4.8733 7.7609 105.0216 60.9465 69.4473 172.8500 45 N 5.0321 7.7648 118.4522 51.9829 42.2655 173.6652 46 C 4.6705 8.5058 118.8735 55.9642 36.6978 172.0948 47 P 4.7232 0.0000 0.0000 60.7630 31.6773 174.3910 48 P 4.1437 0.0000 0.0000 64.7348 31.3202 176.2704 49 G 3.9727 8.9577 109.2893 45.2117 0.0000 173.3884 50 T 4.3484 6.6142 109.0677 60.3192 71.1193 174.3565 51 K 4.5673 8.5837 120.8112 54.3611 35.3184 175.4124 52 L 4.5255 8.4633 126.9274 54.0780 43.0973 175.9722 53 A 4.3735 8.7844 129.0548 52.5830 18.9920 177.0886 54 T 4.3672 8.7092 109.0638 62.7778 70.6196 175.4397 55 A 4.6232 8.1686 124.4178 52.2514 19.8621 176.8903 56 S 4.3191 7.3592 114.2180 57.0494 64.5382 173.7762 *58 V 4.3092 8.2110 112.2444 61.6210 32.7957 174.7328 59 A 4.9303 8.8130 123.6815 50.6639 23.4743 175.0620 60 S 5.1344 8.7918 114.0690 57.3145 63.4923 173.8790 61 C 5.2788 9.6136 126.0485 55.1172 41.8291 172.9720 62 Y 4.6134 9.0311 125.7176 57.5974 40.0138 173.6286 63 N 3.6397 8.5816 126.9697 51.1923 39.4699 173.6627 64 P 4.3806 0.0000 0.0000 64.1208 32.0696 177.5726 65 T 3.9539 7.9820 117.2773 66.0240 68.3964 174.9915 66 D 4.6467 7.3019 116.3843 52.1325 40.1489 176.0127 67 G 4.2583 7.7357 106.3826 46.3635 0.0000 173.5535 68 Q 4.5608 7.4840 117.8738 53.9504 31.8883 174.6729 69 S 5.2317 8.1968 117.1282 57.4435 65.3805 172.8421 70 Y 5.0988 9.2971 121.0774 56.1560 42.2776 174.5277 71 L 4.9019 8.9771 122.7820 54.1099 43.5245 175.7200 72 I 4.4854 9.0424 125.7871 59.7156 38.9717 174.9541 73 A 4.7902 7.8866 130.8910 50.0774 18.5518 175.8381 74 Y 4.3817 8.0282 118.4737 59.0119 39.5613 175.5580 75 R 4.7960 8.5834 120.3914 54.7066 34.8102 174.2031 76 D 5.1742 8.8299 122.1283 53.7928 43.3324 175.7939 77 C 5.1375 8.8683 119.7847 55.8614 43.0868 172.3995 78 C 5.2379 9.1835 120.2151 55.5071 44.6379 175.0167 79 G 4.1269 9.7803 107.8045 45.6091 0.0000 173.0536 80 Y 4.8048 7.2075 115.7394 55.5046 41.9766 174.7624 81 N 4.4684 8.6435 120.6813 53.2312 39.8422 174.9649 82 V 4.0224 8.8089 121.7485 61.4457 31.6239 177.4988 83 S 3.9696 8.4884 118.3189 59.5763 62.9418 175.8061 84 G 3.9530 7.6277 104.4325 45.3836 0.0000 173.1185 85 R 4.5205 7.8196 118.3003 55.6327 33.0404 175.8420 86 C 4.1627 8.6562 118.0396 60.2758 25.6030 171.4277 87 P 4.8694 0.0000 0.0000 63.3633 32.3856 176.0346 88 C 4.8055 8.9553 116.6939 58.7768 33.3100 173.0330 89 L 4.9547 8.4460 123.6612 53.7819 44.1442 174.9113 90 N 5.1673 9.2582 123.8974 51.0877 43.2775 174.6034 91 T 4.6008 7.5932 109.2262 60.9179 68.9577 173.8157 92 E 4.1002 8.4441 122.8971 58.4922 29.8400 177.7108 93 G 3.8102 8.7812 111.1507 45.9041 0.0000 172.3943 94 E 4.4417 8.0669 121.0533 55.7146 30.0566 176.0570 95 L 4.7902 8.5076 126.0861 52.0842 45.4735 174.0675 96 P 4.5475 0.0000 0.0000 62.0834 32.2658 178.1594 97 V 3.6127 8.4664 120.2083 64.8051 31.2291 176.7825 98 Y 4.4403 7.9119 116.2834 57.9982 38.8691 175.6827 99 R 4.7353 7.7466 120.3059 54.2087 30.3648 174.6599 100 P 4.4832 0.0000 0.0000 65.6762 32.0652 179.2423 101 E 3.7382 8.1569 117.1663 58.1718 29.5601 177.2901 102 F 5.0018 8.3702 116.4066 56.8143 39.7340 174.0631 103 A 5.3783 8.5121 124.1218 49.8653 20.3641 176.9621 104 N 5.1591 9.4310 119.6762 52.7979 37.6217 175.3592 105 D 4.7325 7.9172 118.3372 55.3237 41.5770 177.0829 106 I 3.5011 7.2775 119.9727 60.8193 37.4697 175.8846 107 I 3.8816 7.7641 125.5977 60.6439 36.8179 177.0390 108 W 4.6287 8.5565 131.1489 55.7766 27.6661 176.2855 109 C 4.8077 6.9420 113.6280 56.3532 38.5486 174.4126 110 F 4.5615 7.3913 120.0304 58.9840 38.9262 176.3804 111 G 4.3848 9.3733 111.5139 46.3072 0.0000 173.6397 112 A 4.3705 7.6299 122.6284 51.0018 19.2040 177.0321 113 E 3.8774 8.6990 122.2288 57.8687 30.1175 176.8465 114 D 4.2176 9.1216 121.2589 54.6181 38.3985 173.3870 115 D 4.3983 7.9129 114.9225 54.7534 39.0473 173.8558 116 A 4.0705 7.8293 121.4342 53.2856 18.5337 178.3554 117 M 4.7025 8.4539 119.7669 54.6202 34.6048 175.5541 118 T 4.3632 7.6505 110.0833 61.3042 70.7845 172.8666 119 Y 4.6133 8.5447 124.7754 57.3874 40.1426 174.0156 120 H 4.6363 8.1165 125.8264 57.1781 32.1156 173.5200 121 C 4.6942 6.6546 109.9733 57.8393 32.8455 171.8727 122 T 5.2316 8.8529 115.6869 61.7676 71.4343 173.9792 123 I 4.4504 8.7441 119.3230 59.3951 40.2196 175.1162 124 S 4.9680 8.2665 117.8594 56.5568 61.6614 172.3548 125 P 4.5017 0.0000 0.0000 61.6946 33.0826 176.3204 126 I 4.1479 7.9692 121.2008 61.4164 37.7427 176.2070 127 V 4.3324 8.3852 116.8149 60.7441 33.4683 175.1796 128 G 4.0233 7.5573 106.7106 46.1133 0.0000 172.4837 129 K 4.7498 8.6592 118.9026 54.6462 33.8704 177.0582 130 A 4.1054 8.1905 124.6932 52.3312 18.8935 177.9661 131 S 4.2350 8.4493 116.0632 59.1089 62.5165 175.8276 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 7 T 8.17 4.17 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 1.22 0.00 0.00 8 D 7.81 4.41 0.00 2.82 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 9 P 0.00 4.41 0.00 2.25 2.20 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 8.09 4.24 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 11 A 7.59 4.20 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 12 K 8.48 4.04 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.85 4.24 0.00 3.28 3.25 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 14 V 7.41 4.07 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 0.82 0.00 0.00 0.91 0.00 0.00 15 P 0.00 3.92 0.00 2.30 2.12 0.00 3.66 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 2.11 2.23 0.00 16 Q 8.61 4.70 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 17 D 8.63 5.64 0.00 2.57 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 18 N 8.93 4.97 0.00 2.83 2.91 0.00 0.00 6.53 8.92 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 19 D 8.04 4.31 0.00 2.75 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 20 I 7.94 2.70 1.26 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.10 0.00 0.00 21 Q 8.25 4.20 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 22 A 7.50 4.85 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 23 C 8.74 4.54 0.00 3.12 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 24 D 8.12 4.92 0.00 2.52 2.75 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 25 Y 8.25 4.84 0.00 3.33 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 26 W 8.22 4.58 0.00 3.62 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 27 R 5.87 3.43 0.00 1.39 1.52 0.00 2.95 0.00 0.00 2.72 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.37 5.14 0.00 3.54 3.38 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.32 3.27 0.00 2.28 3.45 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 30 S 8.19 5.00 0.00 3.85 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 31 I 7.43 3.33 1.72 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 1.03 1.23 0.90 0.00 0.00 32 D 9.27 4.88 0.00 2.77 2.40 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 33 G 7.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.14 5.44 0.00 2.83 2.85 0.00 0.00 7.39 6.63 0.00 0.00 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 I 8.24 4.25 1.85 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 1.05 0.96 0.96 0.00 0.00 36 C 8.54 4.14 0.00 2.92 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 37 D 8.22 4.44 0.00 2.71 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 38 C 7.98 4.61 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.31 4.63 0.00 3.97 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 40 G 8.69 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.43 4.34 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 0.00 42 S 8.27 5.13 0.00 3.91 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 43 L 8.73 3.94 0.00 1.66 1.68 0.91 0.57 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 44 T 7.76 4.87 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 1.17 0.00 0.00 45 N 7.76 5.03 0.00 2.66 2.65 0.00 0.00 7.06 7.52 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 46 C 8.51 4.67 0.00 2.89 2.91 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 0.00 0.00 0.00 47 P 0.00 4.72 0.00 1.95 2.09 0.00 3.77 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 2.05 1.98 0.00 48 P 0.00 4.14 0.00 2.14 2.04 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 49 G 8.96 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 50 T 6.61 4.35 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 0.25 0.00 0.00 51 K 8.58 4.57 0.00 1.63 1.69 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.32 1.60 7.81 52 L 8.46 4.53 0.00 1.74 1.52 0.91 1.11 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 53 A 8.78 4.37 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 54 T 8.71 4.37 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 1.28 0.00 0.00 55 A 8.17 4.62 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 0.00 0.00 0.00 0.00 0.00 56 S 7.36 4.32 0.00 3.82 3.60 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 *58 V 8.21 4.31 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 0.59 0.00 0.00 0.74 0.00 0.00 59 A 8.81 4.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.79 5.13 0.00 3.96 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 61 C 9.61 5.28 0.00 3.24 3.56 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 62 Y 9.03 4.61 0.00 3.20 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 63 N 8.58 3.64 0.00 1.44 2.21 0.00 0.00 6.54 8.04 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 64 P 0.00 4.38 0.00 2.19 2.22 0.00 3.34 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 65 T 7.98 3.95 4.16 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 1.14 0.00 0.00 66 D 7.30 4.65 0.00 2.65 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 67 G 7.74 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 0.00 0.00 0.00 0.00 68 Q 7.48 4.56 0.00 1.62 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 69 S 8.20 5.23 0.00 3.77 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 70 Y 9.30 5.10 0.00 3.28 2.98 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 71 L 8.98 4.90 0.00 1.86 1.62 1.00 1.15 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 72 I 9.04 4.49 1.34 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.03 -0.14 0.00 0.00 73 A 7.89 4.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.03 4.38 0.00 2.90 2.91 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 0.00 0.00 0.00 75 R 8.58 4.80 0.00 1.69 1.77 0.00 3.08 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 76 D 8.83 5.17 0.00 2.85 2.61 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 77 C 8.87 5.14 0.00 2.72 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 78 C 9.18 5.24 0.00 2.87 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 79 G 9.78 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 0.00 0.00 0.00 0.00 80 Y 7.21 4.80 0.00 2.66 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 81 N 8.64 4.47 0.00 2.64 2.74 0.00 0.00 7.00 7.71 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 82 V 8.81 4.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.13 0.00 0.00 83 S 8.49 3.97 0.00 3.96 3.69 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 84 G 7.63 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 85 R 7.82 4.52 0.00 1.79 1.83 0.00 3.33 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.66 4.16 0.00 3.10 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 87 P 0.00 4.87 0.00 2.19 2.07 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 C 8.96 4.81 0.00 2.81 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 89 L 8.45 4.95 0.00 1.51 1.48 0.93 0.87 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 90 N 9.26 5.17 0.00 2.45 2.12 0.00 0.00 6.10 6.61 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 91 T 7.59 4.60 4.18 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 1.14 0.00 0.00 92 E 8.44 4.10 0.00 1.79 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 1.91 1.94 0.00 93 G 8.78 3.81 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 0.00 0.00 0.00 94 E 8.07 4.44 0.00 1.97 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 2.63 2.43 0.00 95 L 8.51 4.79 0.00 1.68 1.42 0.79 0.87 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 96 P 0.00 4.55 0.00 1.78 2.04 0.00 3.23 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 2.09 2.07 0.00 97 V 8.47 3.61 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 0.84 0.00 0.00 0.93 0.00 0.00 98 Y 7.91 4.44 0.00 3.13 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 99 R 7.75 4.74 0.00 1.76 2.01 0.00 3.39 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.39 0.00 100 P 0.00 4.48 0.00 2.64 2.56 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 101 E 8.16 3.74 0.00 1.40 1.43 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 2.09 2.16 0.00 102 F 8.37 5.00 0.00 3.09 3.01 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 0.00 0.00 0.00 103 A 8.51 5.38 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 0.00 104 N 9.43 5.16 0.00 2.72 2.88 0.00 0.00 7.02 7.64 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 0.00 105 D 7.92 4.73 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.28 3.50 0.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.27 -0.37 0.00 0.00 107 I 7.76 3.88 1.67 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 1.28 0.67 0.92 0.00 0.00 108 W 8.56 4.63 0.00 3.49 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 0.00 109 C 6.94 4.81 0.00 2.71 3.13 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 0.00 110 F 7.39 4.56 0.00 3.26 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 0.00 111 G 9.37 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 0.00 0.00 0.00 0.00 112 A 7.63 4.37 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 0.00 113 E 8.70 3.88 0.00 2.01 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 0.00 2.39 2.36 0.00 114 D 9.12 4.22 0.00 2.88 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 0.00 115 D 7.91 4.40 0.00 2.85 2.75 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 0.00 116 A 7.83 4.07 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 0.00 117 M 8.45 4.70 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 118 T 7.65 4.36 4.29 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 1.23 0.00 0.00 119 Y 8.54 4.61 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.12 4.64 0.00 3.19 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.65 4.69 0.00 3.10 2.74 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 0.00 122 T 8.85 5.23 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 1.46 0.00 0.00 123 I 8.74 4.45 1.98 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 1.38 0.90 0.94 0.00 0.00 124 S 8.27 4.97 0.00 3.76 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 0.00 125 P 0.00 4.50 0.00 2.14 2.10 0.00 3.69 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 2.07 1.91 0.00 126 I 7.97 4.15 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 1.09 0.00 0.00 127 V 8.39 4.33 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 0.61 0.00 0.00 0.95 0.00 0.00 128 G 7.56 4.02 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 0.00 0.00 0.00 129 K 8.66 4.75 0.00 1.58 1.58 0.00 1.63 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.83 1.35 7.81 130 A 8.19 4.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.45 4.23 0.00 3.77 3.67 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 * Residues marked with a * may have inaccurate shift predictions.