NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4009 0.0000 0.0000 61.3703 31.6055 175.2912 8 P 4.3780 0.0000 0.0000 63.0646 32.4600 174.3568 9 K 4.3592 8.9211 123.1771 56.5183 34.0140 175.8081 10 V 4.6462 9.4886 125.1853 61.6999 33.3809 174.4276 11 I 4.9173 8.9659 129.1120 59.4055 40.1775 174.0777 12 L 4.9007 8.7092 129.4149 53.1901 44.1207 174.4891 13 L 4.9334 8.8661 129.0837 53.2940 44.7041 175.0599 14 V 4.5865 8.6539 127.4055 61.5244 32.4971 173.6659 15 E 4.9472 8.9124 128.8495 55.0525 32.8563 175.1998 16 D 4.5302 8.8282 125.4558 54.0988 40.7698 176.8508 17 S 4.3032 8.5433 116.5117 57.4865 63.0806 174.3213 18 K 3.9779 8.9190 130.3623 58.9920 31.9588 178.8934 19 A 4.0100 7.9975 120.4284 55.5086 18.2935 179.3308 20 D 4.3440 7.9836 117.1252 57.3823 40.7920 179.1990 21 S 4.1215 8.3234 115.0715 61.5356 63.1195 176.8045 22 R 4.0377 8.4520 122.1151 58.6036 29.7080 178.8830 23 L 4.0232 7.7002 120.0679 58.1295 42.1397 179.1047 24 V 3.4838 7.7011 118.2075 66.0576 31.4056 177.8902 25 Q 3.9795 8.2882 117.9558 58.9460 28.3427 178.5113 26 E 3.9603 8.0107 118.9975 59.2380 29.9875 178.7013 27 V 3.4792 7.6597 118.1178 66.0793 31.6320 178.0784 28 L 4.1242 8.0148 118.1165 56.9571 41.1328 179.2611 29 K 3.9883 7.9333 119.9301 59.1841 32.1896 177.2692 30 T 4.4079 7.1686 104.7216 61.1807 69.1577 174.7430 31 S 4.2050 7.6475 117.6791 59.0562 62.7342 174.3122 32 T 4.1404 8.3742 116.1309 62.8660 69.3600 174.3730 33 I 4.0785 7.1342 122.6953 59.6847 38.7398 174.7172 34 D 4.6791 8.6923 128.3083 55.0934 41.5648 175.1802 35 H 5.4254 8.6131 117.8291 54.5103 32.5070 172.3730 36 E 4.5455 9.3731 117.9183 54.5041 32.5506 174.9147 37 L 4.9791 8.5794 127.2699 53.7130 43.5980 175.3401 38 I 4.4778 8.8477 127.7599 59.5206 39.7524 174.5119 39 I 4.8776 8.3218 127.4362 59.4110 39.4542 174.9242 40 L 4.7822 8.7596 126.7675 53.1319 44.5575 177.5887 41 R 4.5285 8.9658 119.7663 55.8431 31.1255 175.6606 42 D 4.7717 7.5009 116.7555 51.3866 42.4189 176.4630 43 G 3.6258 8.2518 108.8550 48.4412 0.0000 175.4890 44 L 4.0691 8.0656 119.0711 57.5790 42.1793 178.2177 45 A 3.9886 9.0455 121.8848 55.1774 18.5755 179.7083 46 A 4.0500 7.9010 114.5744 53.3842 18.2441 178.8664 *48 A 4.1899 8.0606 123.3386 53.4335 20.8888 179.8486 49 F 3.4900 7.9392 117.8025 61.1816 39.5886 177.4241 50 L 4.0325 8.0346 119.2265 57.8067 41.4059 178.2948 51 Q 4.0857 7.9828 114.4635 55.8669 29.3634 175.2971 52 Q 3.4773 7.4490 116.9747 56.8353 26.9163 173.4724 53 Q 4.4631 8.3894 116.5991 56.1104 31.9395 177.3870 54 G 4.0869 8.5231 110.4951 46.5653 0.0000 176.8341 55 E 3.9702 9.1502 124.9053 58.3561 29.3781 176.6239 56 Y 4.4998 8.2641 116.5954 57.6296 38.1655 177.0824 57 E 4.0730 8.0842 121.0221 58.3695 29.5946 177.4574 58 N 4.7346 7.8868 114.2615 53.0700 39.1309 174.7292 59 S 4.2112 7.8781 114.0627 57.8474 63.2938 172.5560 60 P 4.3958 0.0000 0.0000 62.2997 31.9794 175.8457 61 R 4.1201 8.2934 121.0575 55.2902 30.6401 174.5589 62 P 4.6559 0.0000 0.0000 62.7798 32.0541 175.9971 63 N 4.7464 8.9558 118.7541 54.7437 39.5666 175.2328 64 L 4.5561 7.6011 119.5798 53.6362 46.1191 174.0289 65 I 4.8987 8.4110 125.6194 59.4521 40.6792 174.1920 66 L 4.9452 8.9896 127.3366 52.8761 43.8733 175.2830 67 L 4.8555 8.8454 126.0560 53.1702 45.4614 174.3530 68 D 5.1303 8.1984 125.5475 52.2071 41.8961 176.5353 69 L 4.0478 8.5808 125.4405 57.1818 43.0823 175.9722 70 N 5.0748 8.6076 116.6071 51.8945 38.6209 174.6647 71 L 4.8916 8.0920 122.3405 52.1862 46.3118 174.9374 72 P 4.4645 0.0000 0.0000 62.7350 32.4068 178.1676 73 K 4.0453 8.9967 123.3276 57.6858 31.0189 176.9274 74 K 4.3589 7.6058 117.6294 54.7473 35.0883 174.5020 75 D 4.3371 9.0218 125.7285 54.9006 41.5125 177.5527 76 G 3.6815 8.8185 113.0138 47.5437 0.0000 176.0196 77 R 3.9407 8.7407 121.0155 59.1106 29.9267 178.7730 78 E 4.0109 8.2125 118.6833 59.0156 29.4361 179.2761 79 V 3.5324 7.6096 117.8908 65.8275 31.5902 177.4878 80 L 3.8524 8.1013 119.9271 58.1650 41.8150 178.6550 81 A 3.9837 7.8139 120.2562 55.5075 18.1407 179.5676 82 E 3.9451 8.2919 115.8495 59.3380 29.5954 179.5381 83 I 3.8751 7.9762 120.1806 64.3411 37.0975 178.3514 84 K 4.1881 8.1126 116.7048 58.0168 32.0326 178.1904 85 Q 4.6494 7.5944 117.0294 54.5745 29.7959 174.7353 86 N 4.6443 7.5614 120.9370 51.4126 38.9168 173.5342 87 P 4.4676 0.0000 0.0000 65.7944 31.1490 176.9790 88 D 4.6207 8.3312 116.8032 55.0550 41.3850 176.8445 89 L 4.6940 7.5138 117.5669 54.5809 44.1612 178.4016 90 K 3.9176 8.3986 117.6581 59.3722 32.3615 178.1019 91 R 4.0345 7.8586 118.7458 58.4923 30.3625 176.4466 92 I 3.9061 7.6433 119.6467 60.2008 37.6394 173.9833 93 P 4.4803 0.0000 0.0000 62.6526 32.5344 175.2556 94 V 4.5192 9.3452 124.5427 60.9780 34.1953 174.2208 95 V 4.3084 8.5758 128.7746 61.0421 33.1648 174.6419 96 V 4.1598 8.2377 129.3342 62.3701 32.8745 174.6998 97 L 4.8947 8.8032 129.2366 53.7379 44.6751 174.7332 98 T 4.6524 8.6527 120.4687 60.8116 71.0907 174.6826 99 T 4.1525 8.5411 120.5055 65.9302 68.9569 176.3330 100 S 4.3735 7.7066 117.1570 59.3695 63.1562 174.0017 101 H 5.0374 8.5778 116.0348 53.9071 30.8173 173.8807 102 N 4.3015 7.9213 119.4640 53.0687 38.8428 174.9931 103 E 3.8392 8.7934 123.2382 59.8321 29.6661 179.0268 104 D 4.3288 7.9976 118.1854 57.5052 40.9557 178.3958 105 D 4.3721 8.9947 119.7316 57.1276 40.8093 178.9522 106 V 2.8291 7.5054 118.6515 65.8036 31.4449 178.0625 107 I 3.7195 7.8577 119.2952 64.5032 37.0286 178.1987 108 A 3.9982 8.0117 121.4334 55.4067 18.1351 179.9070 109 S 4.0936 8.2062 113.5155 62.0716 62.9668 176.5910 110 Y 4.1170 8.1108 119.3103 60.8402 37.3282 178.1711 111 E 4.0453 8.2854 119.4293 59.0560 29.6089 178.3784 112 L 4.2995 7.5992 116.0607 54.7931 41.6966 176.6255 113 H 4.2740 8.0366 115.2356 56.4958 26.3941 175.5722 114 V 3.7526 7.4801 118.6233 61.8108 31.7373 175.9465 115 N 4.8545 8.4215 120.6550 56.5743 39.0634 175.1507 116 C 5.0462 7.7952 110.8063 57.2991 33.1305 172.2245 117 Y 4.8429 8.8430 121.5697 55.8241 40.6207 174.5616 118 L 4.9548 8.6944 126.4257 53.2647 45.5353 175.5212 119 T 4.9020 8.5658 119.9955 61.7371 69.6943 174.8147 120 K 3.9099 8.9487 126.9035 56.8421 31.1912 177.5769 121 S 4.3144 8.7930 120.1016 58.6485 63.4417 175.7861 122 R 4.1501 8.5334 121.5232 58.2024 30.4296 177.3323 123 N 5.1173 7.4316 114.1879 50.7684 42.7033 175.4593 124 L 4.0619 8.4758 123.6622 57.7030 41.5542 179.6343 125 K 3.8759 8.0559 118.5008 59.8779 31.9032 178.0214 126 D 4.5643 8.0665 118.3683 56.9429 40.7014 178.3300 127 L 4.0500 7.8754 120.4137 57.8339 42.3193 178.4035 128 F 4.1458 8.6755 121.1810 61.0415 39.3965 178.5556 129 K 4.1270 7.8266 116.2565 56.5917 31.3245 179.2018 *131 V 4.0296 7.8897 120.7731 63.0201 33.3690 177.3401 132 Q 4.0416 7.9919 119.1261 58.7400 28.4269 178.8762 133 G 3.6545 8.2450 106.8899 48.5180 0.0000 175.9231 134 I 4.0369 7.6684 121.6848 64.1564 37.2568 177.8988 135 E 3.9789 8.4022 120.4230 59.4009 29.6743 179.0070 136 S 4.4107 8.2670 115.8092 60.8266 62.8911 176.2446 137 F 4.0045 8.3550 124.1480 60.9192 39.0830 177.4643 138 W 4.0161 8.3513 116.9458 58.6188 29.0243 177.1852 139 L 4.5914 8.0306 116.7067 54.7994 41.9320 176.9568 140 E 4.5587 7.9592 116.0507 56.4858 32.2258 177.6592 141 T 3.9733 7.2884 113.6816 64.9955 69.5005 175.8903 142 V 3.3043 7.0186 119.6994 62.7493 31.9330 175.7207 143 T 4.3250 7.9798 122.3721 61.8968 68.2566 174.7674 144 L 4.3911 8.1505 126.8113 53.3089 42.6411 175.6422 145 P 4.4369 0.0000 0.0000 62.4845 32.2657 176.2782 146 A 4.1984 8.4189 121.6517 52.6100 18.5708 177.4758 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 P 0.00 4.40 0.00 2.20 2.17 0.00 3.76 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 1.89 2.00 0.00 8 P 0.00 4.38 0.00 2.05 2.13 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 9 K 8.92 4.36 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.56 7.81 10 V 9.49 4.65 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 0.87 0.00 0.00 0.98 0.00 0.00 11 I 8.97 4.92 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 1.12 0.54 0.87 0.00 0.00 12 L 8.71 4.90 0.00 1.65 1.44 0.41 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.87 4.93 0.00 1.67 1.40 0.90 0.55 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 14 V 8.65 4.59 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 0.80 0.00 0.00 0.81 0.00 0.00 15 E 8.91 4.95 0.00 2.04 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 0.00 2.17 2.45 0.00 16 D 8.83 4.53 0.00 2.80 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 17 S 8.54 4.30 0.00 3.89 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 18 K 8.92 3.98 0.00 1.80 1.84 0.00 2.02 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.31 7.81 19 A 8.00 4.01 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 20 D 7.98 4.34 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.32 4.12 0.00 4.01 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 22 R 8.45 4.04 0.00 1.93 2.04 0.00 3.23 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 23 L 7.70 4.02 0.00 1.87 1.89 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.70 3.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 25 Q 8.29 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 26 E 8.01 3.96 0.00 2.17 2.31 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 2.57 2.68 0.00 27 V 7.66 3.48 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 0.74 0.00 0.00 -0.18 0.00 0.00 28 L 8.01 4.12 0.00 1.77 1.83 0.92 0.35 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 29 K 7.93 3.99 0.00 1.97 2.09 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 30 T 7.17 4.41 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 1.27 0.00 0.00 31 S 7.65 4.20 0.00 3.84 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 32 T 8.37 4.14 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 I 7.13 4.08 1.87 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 1.31 1.12 0.92 0.00 0.00 34 D 8.69 4.68 0.00 2.70 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 35 H 8.61 5.43 0.00 3.28 3.24 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.37 4.55 0.00 1.85 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 2.21 2.37 0.00 37 L 8.58 4.98 0.00 1.66 1.56 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.85 4.48 1.66 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 1.24 0.53 0.60 0.00 0.00 39 I 8.32 4.88 1.82 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 1.28 0.54 0.86 0.00 0.00 40 L 8.76 4.78 0.00 1.37 1.40 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.97 4.53 0.00 1.77 1.94 0.00 3.53 0.00 0.00 2.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 42 D 7.50 4.77 0.00 2.94 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 43 G 8.25 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.07 4.07 0.00 1.83 1.74 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.05 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.90 4.05 1.29 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 0.00 0.00 *48 A 8.06 4.19 1.29 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 0.00 0.00 49 F 7.94 3.49 0.00 2.56 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.03 4.03 0.00 1.74 1.73 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.98 4.09 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 52 Q 7.45 3.48 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 53 Q 8.39 4.46 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.72 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 54 G 8.52 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 55 E 9.15 3.97 0.00 1.69 1.78 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 2.22 2.32 0.00 56 Y 8.26 4.50 0.00 3.24 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 57 E 8.08 4.07 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 2.48 2.46 0.00 58 N 7.89 4.73 0.00 2.63 2.77 0.00 0.00 7.00 7.63 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 59 S 7.88 4.21 0.00 3.40 2.63 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 0.00 0.00 0.00 0.00 60 P 0.00 4.40 0.00 2.25 2.09 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 61 R 8.29 4.12 0.00 1.77 1.88 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 62 P 0.00 4.66 0.00 2.12 2.01 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 63 N 8.96 4.75 0.00 2.55 2.90 0.00 0.00 6.67 7.76 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 64 L 7.60 4.56 0.00 1.71 1.41 0.51 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.41 4.90 1.76 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 1.19 0.54 0.81 0.00 0.00 66 L 8.99 4.95 0.00 1.47 1.46 0.80 0.21 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 67 L 8.85 4.86 0.00 1.57 1.32 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.20 5.13 0.00 2.80 2.48 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 69 L 8.58 4.05 0.00 1.60 1.68 0.99 0.66 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 70 N 8.61 5.07 0.00 2.56 2.78 0.00 0.00 6.76 8.65 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 71 L 8.09 4.89 0.00 1.61 1.47 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.46 0.00 2.16 1.95 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 73 K 9.00 4.05 0.00 1.90 1.94 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 74 K 7.61 4.36 0.00 1.65 1.52 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.52 7.81 75 D 9.02 4.34 0.00 2.70 2.55 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 76 G 8.82 3.68 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 0.00 0.00 0.00 77 R 8.74 3.94 0.00 1.90 1.99 0.00 3.29 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 78 E 8.21 4.01 0.00 2.21 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 2.32 2.30 0.00 79 V 7.61 3.53 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 1.06 0.00 0.00 0.93 0.00 0.00 80 L 8.10 3.85 0.00 1.80 1.80 0.87 1.24 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 81 A 7.81 3.98 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 82 E 8.29 3.95 0.00 2.00 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 2.34 2.43 0.00 83 I 7.98 3.88 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.89 0.00 0.00 84 K 8.11 4.19 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.77 7.81 85 Q 7.59 4.65 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 86 N 7.56 4.64 0.00 2.85 2.83 0.00 0.00 6.81 7.60 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 87 P 0.00 4.47 0.00 2.21 2.19 0.00 3.80 0.00 0.00 3.76 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 88 D 8.33 4.62 0.00 2.84 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 89 L 7.51 4.69 0.00 1.82 1.64 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.40 3.92 0.00 1.80 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.39 7.81 91 R 7.86 4.03 0.00 1.80 2.00 0.00 3.25 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 92 I 7.64 3.91 1.92 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 1.30 0.74 0.95 0.00 0.00 93 P 0.00 4.48 0.00 1.78 1.69 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 94 V 9.35 4.52 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 0.81 0.00 0.00 0.85 0.00 0.00 95 V 8.58 4.31 1.80 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 0.83 0.00 0.00 0.13 0.00 0.00 96 V 8.24 4.16 1.69 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 0.30 0.00 0.00 0.74 0.00 0.00 97 L 8.80 4.89 0.00 1.63 1.37 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.65 4.65 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 0.97 0.00 0.00 99 T 8.54 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 100 S 7.71 4.37 0.00 4.02 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 0.00 101 H 8.58 5.04 0.00 3.27 3.40 0.00 5.54 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.92 4.30 0.00 2.95 2.90 0.00 0.00 5.83 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 0.00 103 E 8.79 3.84 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 2.35 2.38 0.00 104 D 8.00 4.33 0.00 2.91 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 0.00 105 D 8.99 4.37 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.51 2.83 2.04 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 0.90 0.00 0.00 0.46 0.00 0.00 107 I 7.86 3.72 1.86 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 1.44 0.60 0.92 0.00 0.00 108 A 8.01 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 0.00 109 S 8.21 4.09 0.00 4.10 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 0.00 110 Y 8.11 4.12 0.00 3.22 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.29 4.05 0.00 2.13 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 2.68 2.51 0.00 112 L 7.60 4.30 0.00 1.79 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.04 4.27 0.00 3.35 3.49 0.00 5.86 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 0.00 114 V 7.48 3.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.87 0.00 0.00 115 N 8.42 4.85 0.00 2.64 3.19 0.00 0.00 6.78 8.96 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 0.00 116 C 7.80 5.05 0.00 3.21 3.32 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 0.00 117 Y 8.84 4.84 0.00 2.51 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 0.00 118 L 8.69 4.95 0.00 1.74 1.50 1.01 0.57 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 0.00 119 T 8.57 4.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 120 K 8.95 3.91 0.00 1.58 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.53 7.81 121 S 8.79 4.31 0.00 4.09 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 0.00 122 R 8.53 4.15 0.00 1.80 2.00 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 123 N 7.43 5.12 0.00 2.71 2.67 0.00 0.00 6.83 6.62 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 0.00 124 L 8.48 4.06 0.00 1.71 1.78 0.95 0.90 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 0.00 125 K 8.06 3.88 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 126 D 8.07 4.56 0.00 2.89 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 0.00 127 L 7.88 4.05 0.00 1.66 1.92 0.92 0.58 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 0.00 128 F 8.68 4.15 0.00 3.35 3.21 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 0.00 129 K 7.83 4.13 0.00 2.09 1.87 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.71 7.81 *131 V 7.89 4.03 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 0.88 0.00 0.00 0.89 0.00 0.00 132 Q 7.99 4.04 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 133 G 8.24 3.65 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 0.00 0.00 0.00 134 I 7.67 4.04 2.10 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 1.66 0.66 1.02 0.00 0.00 135 E 8.40 3.98 0.00 2.07 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 0.00 2.27 2.41 0.00 136 S 8.27 4.41 0.00 4.12 4.14 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 0.00 137 F 8.36 4.00 0.00 3.16 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 0.00 138 W 8.35 4.02 0.00 3.50 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 0.00 139 L 8.03 4.59 0.00 1.87 1.71 0.87 0.71 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 0.00 140 E 7.96 4.56 0.00 2.13 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 2.26 2.27 0.00 141 T 7.29 3.97 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 1.05 0.00 0.00 142 V 7.02 3.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.42 0.00 0.00 143 T 7.98 4.33 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 1.20 0.00 0.00 144 L 8.15 4.39 0.00 1.67 1.65 0.98 1.32 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 0.00 145 P 0.00 4.44 0.00 2.20 2.08 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 146 A 8.42 4.20 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 * Residues marked with a * may have inaccurate shift predictions.