NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7922 8.2133 109.7265 45.5301 0.0000 175.5780 *2 D 4.4599 8.9309 120.6986 54.0029 43.9558 177.9167 3 K 3.5966 7.7623 119.1429 58.9927 32.1028 178.5024 4 L 3.7746 7.8772 120.7735 58.2470 42.0168 179.2303 5 V 3.8661 7.5710 118.9973 65.0504 31.5047 177.4423 6 K 3.8363 8.1943 119.8301 59.9941 31.9744 178.3390 7 Y 4.2850 8.0199 116.7594 61.0710 37.3107 178.3004 8 Q 3.7616 8.4844 119.4428 59.1419 28.8217 179.0789 9 E 3.9230 8.2931 119.3304 59.4140 29.4500 179.4724 10 L 3.9157 7.9503 118.9354 57.7270 41.5892 179.8080 11 V 3.1126 7.6558 118.1660 65.8131 31.3626 178.2855 12 K 3.8947 7.9389 118.4087 59.1390 31.7268 179.3374 13 K 3.8992 8.3601 120.4527 59.1991 32.1466 178.5291 14 L 4.0380 8.0444 120.7187 58.3862 41.9986 178.8919 15 L 4.2014 8.2207 118.9400 58.3198 41.5518 179.7569 16 T 3.7744 8.1634 115.6625 66.4288 68.1120 175.8908 17 N 4.1575 8.1906 118.2241 57.0521 38.7330 175.7621 18 Y 4.1310 8.6354 117.9170 61.4827 38.1336 179.1753 19 A 2.0000 7.8159 121.2746 54.2961 18.1147 179.5056 20 S 4.1415 7.7802 112.2186 60.4773 63.0169 175.3033 21 D 4.6023 7.1715 119.5607 53.1298 41.2357 175.9909 22 D 4.6581 7.2231 119.8627 55.1527 41.5654 176.5634 23 V 4.3444 8.3345 116.8574 60.7586 32.9157 176.1513 24 S 4.2709 8.2284 115.1523 58.0602 63.3577 173.5867 25 D 4.5597 8.5474 122.8469 54.6325 41.6157 177.7934 26 Q 4.1610 8.5168 120.0530 57.7397 28.4466 176.9554 27 D 4.7449 8.1360 114.0814 55.2432 41.1415 175.4668 28 V 4.8142 7.4498 120.1574 60.8627 33.6082 175.2500 29 E 4.2828 9.2809 128.0582 56.4068 30.9747 176.1520 30 V 4.6020 8.3910 122.7897 61.8344 32.7949 174.7952 31 Q 4.5503 8.8585 127.6500 54.4631 30.8171 174.6901 32 L 4.7893 8.6758 127.1544 53.8178 42.3682 174.8532 33 I 4.2513 8.8590 126.9219 59.7563 38.0197 174.7437 34 L 4.9667 8.4607 127.3238 53.0433 44.0421 176.2195 35 D 4.7553 8.7771 126.6388 52.8017 41.3555 176.8218 36 T 4.6456 8.3202 115.9696 62.4420 69.8698 177.2325 37 E 3.9893 8.3385 121.6615 59.0066 29.6247 177.6931 38 R 4.1805 8.2790 114.6710 55.1897 31.5223 175.5313 39 N 3.9851 7.2634 116.9152 54.9248 36.2606 173.4670 40 H 5.4120 7.3203 114.5189 53.1178 32.9526 174.5000 41 Y 5.2971 9.0101 119.8644 56.6550 42.0152 174.3429 42 Q 5.0541 9.6557 122.7677 53.8738 33.4264 174.1356 43 W 5.7994 8.7533 130.8537 54.9025 34.5741 174.0298 *45 N 4.9777 8.4194 119.8366 53.1981 39.9722 173.6666 46 V 4.6292 9.0025 122.8170 60.8230 34.5938 174.1633 47 G 4.3813 8.0562 117.7729 46.1540 0.0000 171.2298 48 W 5.2660 8.6796 122.7450 55.0722 33.2170 175.0004 49 Q 4.5544 9.1283 122.1265 54.5769 29.7930 176.5059 50 G 3.7392 8.2664 116.1010 47.1839 0.0000 172.6832 51 L 4.5424 8.7405 124.7875 54.6139 41.7574 175.5897 52 N 4.7812 8.4975 118.8736 51.8803 39.2678 174.2916 53 R 2.9286 8.3732 124.6097 55.8365 30.9907 175.3658 54 I 4.1679 8.0049 127.9709 60.1187 38.9955 174.6281 55 Y 4.8789 8.3161 129.0316 56.4876 39.7499 173.1288 56 R 4.4102 8.2219 120.0212 54.4738 33.0576 174.1227 57 C 4.2350 8.2104 122.4159 58.2332 32.0620 173.3082 58 V 3.5339 8.1669 127.7042 65.1896 32.2728 175.8866 59 I 5.4132 7.2009 118.7374 58.8081 41.9161 173.9572 60 H 5.2490 8.2442 123.7466 54.6605 33.3695 171.6888 61 F 5.7110 9.6740 124.4628 56.0288 41.6399 174.3255 62 D 5.6870 9.3619 122.1454 52.7842 44.4296 175.2647 63 I 5.1490 8.5354 120.9036 59.7661 39.6343 175.7007 64 K 4.4096 9.1592 127.1589 55.5387 34.5775 176.3772 65 D 4.4569 9.9357 124.5581 55.4011 38.4180 175.0188 66 G 4.0515 8.5921 105.1555 45.4110 0.0000 173.9415 67 K 4.9404 8.1705 119.7687 54.6135 35.2404 175.5944 68 I 4.7055 8.6778 125.6563 60.7198 38.4223 174.8973 69 W 5.0825 9.6244 128.9416 55.1854 31.0634 175.5438 70 L 4.4165 8.8477 128.5092 54.9221 41.8089 176.7364 71 Q 4.5197 9.0060 126.1834 56.6878 31.2696 175.5407 72 Q 4.4877 7.5149 118.5718 55.0082 32.7340 173.1430 73 N 4.5606 8.4328 124.9476 53.0085 40.3624 173.4107 74 L 4.5101 8.8446 126.3901 54.8671 42.4142 177.3275 75 T 4.3761 8.0501 110.6819 61.0002 70.1036 173.8965 76 D 4.8298 8.3848 118.0412 53.2836 39.5957 176.8403 77 R 4.3525 7.8517 119.0213 56.5533 31.1646 176.5370 78 N 4.9494 8.2370 118.0818 50.5307 38.5856 172.6164 79 P 4.7945 0.0000 0.0000 64.6595 31.5392 178.3403 80 A 3.8509 7.9201 120.1148 55.2363 18.0992 179.3395 81 E 4.1121 8.3879 115.6028 59.4691 29.2308 179.2231 82 E 4.1599 8.2358 118.9159 59.3479 29.5346 179.2023 83 L 4.1216 8.1905 119.2318 56.9760 42.4249 177.3260 84 V 5.0371 6.9524 120.4439 62.6362 29.0362 175.6876 *87 G 3.8377 7.9039 108.3196 44.1288 0.0000 170.2516 88 V 3.8571 7.8234 121.4054 60.9990 32.2060 173.8015 89 P 4.5263 0.0000 0.0000 62.5894 32.1275 177.3882 90 R 4.0915 8.8615 121.7404 59.4754 29.8087 178.6777 91 E 4.1101 8.2142 114.5163 58.4483 29.9384 177.2079 92 D 5.0010 8.3058 119.4288 54.0905 42.3658 175.3671 93 I 4.8033 7.8633 120.9883 59.4248 39.9776 174.6006 94 V 4.2390 8.4635 127.1173 60.9233 33.7888 175.1654 95 L 4.5585 8.1500 128.8234 53.4101 39.7711 177.2947 96 G 4.0946 8.4676 109.9339 48.2135 0.0000 171.4877 97 L 4.4386 7.8797 118.2016 56.5333 40.8280 177.3431 98 Q 4.5305 7.8105 118.7192 53.8868 31.0111 175.4133 99 A 4.2094 8.1041 122.9821 51.5247 19.5926 176.9280 100 P 4.2538 0.0000 0.0000 66.0233 31.1977 178.8175 101 Y 4.2620 8.0887 114.5542 59.4455 38.0613 177.4222 102 K 4.0161 7.1787 120.6990 57.8573 32.3447 178.6150 103 R 3.8069 7.5649 118.6840 59.1583 29.7525 178.4013 104 Q 3.9130 7.6955 114.3631 57.8884 28.7477 176.0432 105 Y 4.6452 7.5877 115.7775 57.9095 38.4696 175.6284 106 T 4.3909 7.3343 111.4882 60.4508 70.3136 174.4991 107 D 4.3689 8.3814 119.8472 56.0728 41.8598 177.2092 108 Y 4.7260 7.1708 115.9426 58.1923 40.3139 175.8795 109 G 4.3360 9.4013 116.9836 44.4940 0.0000 170.3539 110 V 4.5492 8.0287 111.2953 58.5396 35.9852 176.3408 111 A 4.3318 8.5539 123.1150 52.9591 18.2341 177.5801 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 D 8.93 4.46 0.00 2.69 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 3 K 7.76 3.60 0.00 1.62 1.75 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.74 0.70 7.81 4 L 7.88 3.77 0.00 1.73 1.59 0.97 0.85 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 5 V 7.57 3.87 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 1.25 0.00 0.00 0.97 0.00 0.00 6 K 8.19 3.84 0.00 1.88 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.54 7.81 7 Y 8.02 4.28 0.00 3.05 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 8 Q 8.48 3.76 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 9 E 8.29 3.92 0.00 2.10 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 2.43 2.48 0.00 10 L 7.95 3.92 0.00 1.61 1.61 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.66 3.11 1.64 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 0.73 0.00 0.00 0.44 0.00 0.00 12 K 7.94 3.89 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.27 7.81 13 K 8.36 3.90 0.00 1.82 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 L 8.04 4.04 0.00 1.79 1.83 1.17 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.22 4.20 0.00 1.81 1.84 1.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.16 3.77 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 17 N 8.19 4.16 0.00 2.76 3.05 0.00 0.00 7.25 8.40 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 18 Y 8.64 4.13 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 2.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.78 4.14 0.00 3.79 3.85 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 0.00 0.00 0.00 21 D 7.17 4.60 0.00 2.76 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 22 D 7.22 4.66 0.00 2.84 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 23 V 8.33 4.34 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 0.90 0.00 0.00 1.00 0.00 0.00 24 S 8.23 4.27 0.00 4.05 4.12 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 25 D 8.55 4.56 0.00 2.81 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 26 Q 8.52 4.16 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 27 D 8.14 4.74 0.00 3.00 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 28 V 7.45 4.81 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 0.95 0.00 0.00 29 E 9.28 4.28 0.00 2.12 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 2.38 2.32 0.00 30 V 8.39 4.60 2.14 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 0.73 0.00 0.00 1.09 0.00 0.00 31 Q 8.86 4.55 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 32 L 8.68 4.79 0.00 1.63 1.62 0.98 1.08 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 33 I 8.86 4.25 1.88 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 1.26 0.46 0.90 0.00 0.00 34 L 8.46 4.97 0.00 1.60 1.88 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.78 4.76 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.65 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 1.42 0.00 0.00 37 E 8.34 3.99 0.00 2.08 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 0.00 2.31 2.27 0.00 38 R 8.28 4.18 0.00 1.91 1.82 0.00 3.32 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 39 N 7.26 3.99 0.00 2.96 3.10 0.00 0.00 6.68 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 40 H 7.32 5.41 0.00 2.87 3.00 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.01 5.30 0.00 3.12 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 42 Q 9.66 5.05 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 43 W 8.75 5.80 0.00 3.35 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 *45 N 8.42 4.98 0.00 2.59 2.73 0.00 0.00 6.22 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 46 V 9.00 4.63 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 1.17 0.00 0.00 0.87 0.00 0.00 47 G 8.06 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 48 W 8.68 5.27 0.00 3.34 3.39 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 49 Q 9.13 4.55 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 50 G 8.27 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 51 L 8.74 4.54 0.00 1.73 1.80 0.93 0.88 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 52 N 8.50 4.78 0.00 2.92 2.75 0.00 0.00 6.65 7.29 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 53 R 8.37 2.93 0.00 1.05 1.53 0.00 2.53 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 54 I 8.00 4.17 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.82 0.82 0.00 0.00 55 Y 8.32 4.88 0.00 2.74 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 56 R 8.22 4.41 0.00 1.62 1.67 0.00 2.98 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.30 0.00 57 C 8.21 4.23 0.00 2.80 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 58 V 8.17 3.53 0.72 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 0.40 0.00 0.00 -0.15 0.00 0.00 59 I 7.20 5.41 1.68 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.58 0.19 0.00 0.00 60 H 8.24 5.25 0.00 3.06 2.93 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.67 5.71 0.00 3.10 2.90 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 0.00 0.00 0.00 62 D 9.36 5.69 0.00 2.64 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 63 I 8.54 5.15 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 1.09 0.00 0.00 64 K 9.16 4.41 0.00 1.47 1.45 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.05 1.09 7.81 65 D 9.94 4.46 0.00 2.89 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 66 G 8.59 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 0.00 0.00 0.00 67 K 8.17 4.94 0.00 2.12 1.91 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.54 7.81 68 I 8.68 4.71 1.74 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.34 0.87 0.00 0.00 69 W 9.62 5.08 0.00 3.26 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 70 L 8.85 4.42 0.00 1.78 1.45 0.36 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.01 4.52 0.00 1.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 72 Q 7.51 4.49 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 73 N 8.43 4.56 0.00 2.52 2.57 0.00 0.00 7.05 7.78 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 74 L 8.84 4.51 0.00 1.36 1.57 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.05 4.38 4.41 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 1.46 0.00 0.00 76 D 8.38 4.83 0.00 2.80 2.80 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 77 R 7.85 4.35 0.00 2.09 2.08 0.00 2.93 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 78 N 8.24 4.95 0.00 2.73 2.72 0.00 0.00 6.61 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 79 P 0.00 4.79 0.00 2.48 2.47 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 80 A 7.92 3.85 0.79 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 81 E 8.39 4.11 0.00 2.28 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 2.63 2.58 0.00 82 E 8.24 4.16 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 83 L 8.19 4.12 0.00 1.78 1.58 0.69 0.60 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 84 V 6.95 5.04 2.29 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 1.18 0.00 0.00 1.09 0.00 0.00 *87 G 7.90 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 0.00 0.00 0.00 88 V 7.82 3.86 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 0.50 0.00 0.00 0.67 0.00 0.00 89 P 0.00 4.53 0.00 2.26 2.09 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 90 R 8.86 4.09 0.00 1.82 2.05 0.00 3.04 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 91 E 8.21 4.11 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 92 D 8.31 5.00 0.00 2.77 2.77 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 0.00 0.00 0.00 0.00 93 I 7.86 4.80 2.03 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 0.98 0.73 0.62 0.00 0.00 94 V 8.46 4.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.44 0.00 0.00 95 L 8.15 4.56 0.00 1.51 1.48 0.94 0.54 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 96 G 8.47 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 97 L 7.88 4.44 0.00 1.66 1.80 0.82 0.46 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 98 Q 7.81 4.53 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 99 A 8.10 4.21 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 0.00 100 P 0.00 4.25 0.00 2.25 2.19 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 101 Y 8.09 4.26 0.00 3.20 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 0.00 102 K 7.18 4.02 0.00 0.79 1.52 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.36 7.81 103 R 7.56 3.81 0.00 1.77 1.94 0.00 3.00 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 104 Q 7.70 3.91 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 105 Y 7.59 4.65 0.00 3.09 2.95 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 0.00 106 T 7.33 4.39 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 1.27 0.00 0.00 107 D 8.38 4.37 0.00 1.96 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 0.00 108 Y 7.17 4.73 0.00 2.86 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 0.00 109 G 9.40 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 0.00 110 V 8.03 4.55 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 0.60 0.00 0.00 0.88 0.00 0.00 111 A 8.55 4.33 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.