NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3110 8.2649 123.5801 51.6889 19.9447 176.5494 2 T 3.8231 8.2989 117.0117 63.4525 68.9756 172.4780 3 Q 4.4294 8.2218 123.3895 55.3035 33.7236 175.3528 4 G 3.7474 9.0798 108.2916 45.3256 0.0000 172.7077 5 V 4.5383 6.7751 118.6345 60.7016 33.6666 174.8609 6 F 5.0418 9.1311 125.7558 56.1101 43.4941 173.8739 7 T 4.7392 8.7444 119.3450 62.3311 69.5421 174.2308 8 L 4.2796 8.4878 127.5236 51.8331 44.2138 174.9132 9 P 4.3869 0.0000 0.0000 62.4189 31.9006 176.2699 10 A 4.1494 8.2862 123.1599 52.4668 19.3110 176.5187 11 N 4.2041 8.7138 115.0090 54.9302 36.9115 175.1949 12 T 4.7564 7.9406 112.8849 61.8439 73.0451 174.9305 13 R 5.0216 8.6582 124.7162 55.5268 32.0465 175.4039 14 F 5.4456 9.1139 117.7952 55.2944 41.9956 173.7122 15 G 4.5219 9.3711 108.3455 44.9786 0.0000 173.0132 16 V 5.2772 8.7193 121.5224 60.1437 34.6927 174.5623 17 T 4.8392 9.1588 121.0683 61.4201 72.7459 172.6665 18 A 5.1185 8.4103 127.1640 50.0747 22.1383 175.0925 19 F 5.4782 9.3390 119.7608 55.6104 42.8095 174.3644 20 A 5.2165 8.7591 122.0328 50.0784 22.1175 175.9270 21 N 5.4308 8.7485 117.1348 51.2778 39.2324 173.3500 22 S 4.6729 8.8099 113.6135 56.9921 65.9876 175.3586 23 S 4.2514 8.9961 118.9341 59.9931 63.2841 174.3709 24 G 4.1858 7.4173 109.0649 43.4286 0.0000 173.2230 25 T 4.2011 8.3228 117.3341 63.7297 69.1986 173.8416 26 Q 4.6592 9.4552 125.5860 54.7215 31.3612 174.6661 27 T 5.0003 8.8205 120.0231 61.7832 71.5753 173.1954 28 V 4.8090 9.1549 127.0176 61.1602 34.3479 173.7809 29 N 5.3109 9.3362 125.7081 51.3536 41.8214 173.7977 30 V 4.6963 8.6506 123.2816 61.2418 34.1551 173.9725 31 L 5.0904 9.0335 129.0899 53.0836 44.0849 175.6373 32 V 4.6251 8.6629 124.1876 61.3662 33.7593 175.4630 33 N 4.0192 9.7873 127.2014 54.7778 36.4881 174.1913 34 N 4.2637 8.4939 110.4553 54.5534 36.6950 175.0105 35 E 4.6560 7.9206 113.8591 53.8630 33.3057 178.5436 36 T 4.2019 8.7388 120.5203 63.4784 68.7961 173.5669 37 A 4.7684 8.9256 127.1244 52.0016 21.3995 175.9919 38 A 4.4933 7.4962 115.4442 51.1227 22.8279 175.5970 39 T 4.7119 7.9345 116.6191 62.0355 72.3756 173.3690 40 F 5.3397 9.1346 125.3370 55.9184 42.6010 174.6024 41 S 5.0949 8.3775 115.7674 57.1023 65.4554 173.0652 42 G 4.1007 8.4471 112.8338 46.1931 0.0000 171.5427 43 Q 4.9509 8.4292 120.0989 54.5094 32.2756 173.9500 44 S 4.6992 8.2792 116.9643 57.4291 65.9329 175.1520 45 T 4.8771 8.5199 115.7231 61.3222 68.5984 173.9579 46 N 4.8345 8.1306 117.5804 54.3399 39.9978 173.9137 47 N 4.4564 8.3048 111.6281 53.8308 38.2902 173.9671 48 A 4.3448 7.2868 118.1791 51.1639 19.8393 177.9459 49 V 4.1427 8.4713 121.0089 63.0248 31.8630 175.8348 50 I 4.2630 8.4853 121.2547 60.0601 38.5314 176.0014 51 G 3.1550 6.9959 112.2235 45.6696 0.0000 172.2173 52 T 4.5828 7.5518 115.1088 60.6272 70.5495 172.4583 53 Q 4.6491 9.0739 128.4275 55.0638 33.2020 172.7230 54 V 4.5252 8.2866 125.0212 61.5152 32.9446 174.7452 55 L 4.6335 8.2477 127.0700 52.7373 45.7156 174.3825 56 N 5.4968 8.2665 118.4021 51.8611 40.4792 174.8848 57 S 4.3154 9.5669 120.8804 59.0551 64.1583 175.6239 58 G 3.9853 8.8870 111.1730 45.3843 0.0000 174.2304 59 S 4.3570 8.6886 112.5513 60.3365 63.7498 174.9632 60 S 4.2951 8.1713 114.0839 57.9240 63.2874 174.8941 61 G 4.0595 7.9998 106.7596 45.9260 0.0000 172.2366 62 K 4.3922 8.0945 122.6584 55.9910 33.3931 175.8244 63 V 4.9017 8.8070 127.4102 61.1175 34.7033 173.8466 64 Q 4.9840 9.2958 128.7390 54.3154 32.3342 173.6398 65 V 4.8958 8.7931 126.6702 61.4141 33.4769 174.7968 66 Q 4.7466 9.1648 126.4269 54.0452 32.3136 174.5085 67 V 5.1040 8.4389 122.8431 61.1528 34.8997 174.2134 68 S 5.1537 9.1979 121.0585 56.7795 67.2613 173.0440 69 V 4.4328 8.5524 121.0024 61.4120 34.3146 175.3096 70 N 4.2138 9.9800 126.9101 54.4398 35.9907 175.5578 71 G 3.9311 8.4478 105.2813 45.2414 0.0000 173.5903 72 R 4.4827 7.5934 120.9446 53.5695 31.2695 173.7296 73 P 4.7539 0.0000 0.0000 63.0064 31.9995 175.7932 74 S 4.7344 8.6193 118.9466 57.1862 64.4443 173.8045 75 D 4.6311 8.5506 122.9476 54.4746 42.1601 175.0109 76 L 5.5763 8.6233 123.8983 53.2229 45.1369 176.1060 77 V 4.6544 8.6853 113.8669 59.9740 35.7647 174.8458 78 S 5.6852 8.4458 116.5575 58.4972 66.0772 172.6400 79 A 4.5997 8.2439 119.5533 51.6413 22.1262 174.7592 80 Q 5.0777 8.9279 119.9707 54.3311 31.9853 174.8836 81 V 4.5711 8.9252 124.9264 61.1428 35.3311 173.9993 82 I 4.9031 8.3985 126.8738 59.5282 39.8856 174.6326 83 L 4.6040 9.0174 127.2695 53.7284 44.4430 176.5656 84 T 3.5021 9.3771 115.0549 63.4075 65.8444 171.1669 85 N 4.2514 8.4080 112.4713 53.7857 37.7799 173.4531 86 E 4.4878 8.4623 114.8596 56.7463 34.7155 174.9414 87 L 4.0422 7.7400 122.1143 54.4038 43.3132 174.9198 88 N 4.8736 8.1574 124.2804 51.2076 41.0293 173.9769 89 F 5.1737 8.6717 120.9864 55.4702 43.0778 173.6573 90 A 4.8144 9.1148 125.1493 49.9124 21.4948 174.9774 91 L 5.2734 9.0194 122.7841 52.9352 45.3789 175.9508 92 V 5.0994 9.1047 122.2027 61.2454 35.2163 174.3342 93 G 4.8494 9.5191 114.6473 44.5868 0.0000 171.8715 94 S 5.5205 8.8041 115.2497 56.4250 67.3029 172.3896 95 E 4.7630 9.0106 122.9772 54.5276 31.5590 175.7110 96 D 4.9021 9.9283 126.4489 53.1840 41.0061 176.8248 97 G 3.8836 7.8954 112.1154 45.5300 0.0000 173.6678 98 T 4.3406 8.4232 113.0084 61.3664 69.6214 174.8024 99 D 4.5239 8.0103 124.4456 55.6171 41.3854 176.1682 100 N 5.1453 8.6095 115.4804 52.2928 38.5506 175.3233 101 D 4.7893 8.2381 116.9181 54.0198 40.5489 175.6551 102 Y 3.7027 7.9703 117.0850 58.5229 35.9826 171.0154 103 N 5.0677 8.0198 112.5114 52.9485 38.2769 175.5801 104 D 4.8773 8.6139 120.8356 56.7255 42.0758 176.3355 105 A 5.0569 7.8825 118.4770 50.2684 22.0632 175.6533 106 V 4.6913 9.1753 123.2434 61.1359 34.5972 174.4508 107 V 5.0070 9.1382 127.6524 61.0900 34.6088 174.1038 108 V 4.9400 9.0609 127.5979 61.1897 34.4591 173.9944 109 I 5.9192 9.2681 128.5566 58.7300 40.2722 174.2932 110 N 5.4868 8.8201 123.1853 51.0984 40.8931 173.0947 111 W 5.2961 8.1156 117.2638 55.1391 32.2374 171.1314 112 P 5.2614 0.0000 0.0000 62.3558 31.8892 175.4738 113 L 4.4101 8.7926 123.8899 53.3902 43.2978 177.1370 *114 G 3.7020 8.5011 110.1594 45.9334 0.0000 172.6105 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 1 A 8.26 4.31 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 2 T 8.30 3.82 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 1.14 0.00 0.00 3 Q 8.22 4.43 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 4 G 9.08 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 0.00 0.00 0.00 5 V 6.78 4.54 1.88 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 0.75 0.00 0.00 0.81 0.00 0.00 6 F 9.13 5.04 0.00 2.88 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 7 T 8.74 4.74 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 1.18 0.00 0.00 8 L 8.49 4.28 0.00 1.11 0.75 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.39 0.00 2.16 2.08 0.00 2.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.03 0.00 10 A 8.29 4.15 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 11 N 8.71 4.20 0.00 2.74 2.84 0.00 0.00 6.74 7.53 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 12 T 7.94 4.76 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 1.27 0.00 0.00 13 R 8.66 5.02 0.00 1.97 1.84 0.00 3.06 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 14 F 9.11 5.45 0.00 3.27 3.03 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 15 G 9.37 4.52 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 0.00 0.00 0.00 16 V 8.72 5.28 2.35 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 1.03 0.00 0.00 1.19 0.00 0.00 17 T 9.16 4.84 4.06 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 0.00 0.00 0.68 0.00 0.00 18 A 8.41 5.12 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 19 F 9.34 5.48 0.00 2.94 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 20 A 8.76 5.22 1.33 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 21 N 8.75 5.43 0.00 2.88 2.71 0.00 0.00 6.33 8.81 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 22 S 8.81 4.67 0.00 3.98 3.77 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 23 S 9.00 4.25 0.00 4.02 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 24 G 7.42 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 0.00 0.00 0.00 0.00 25 T 8.32 4.20 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 1.23 0.00 0.00 26 Q 9.46 4.66 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 27 T 8.82 5.00 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 1.27 0.00 0.00 28 V 9.15 4.81 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 1.03 0.00 0.00 1.05 0.00 0.00 29 N 9.34 5.31 0.00 2.67 2.62 0.00 0.00 5.98 7.41 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 30 V 8.65 4.70 2.00 0.00 0.00 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 0.00 0.00 0.89 0.00 0.00 31 L 9.03 5.09 0.00 1.63 1.55 0.91 0.47 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 32 V 8.66 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 1.08 0.00 0.00 1.11 0.00 0.00 33 N 9.79 4.02 0.00 2.81 2.82 0.00 0.00 7.11 7.97 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 34 N 8.49 4.26 0.00 2.86 2.90 0.00 0.00 6.82 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 35 E 7.92 4.66 0.00 1.86 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 2.13 2.12 0.00 36 T 8.74 4.20 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 1.15 0.00 0.00 37 A 8.93 4.77 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 38 A 7.50 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.93 4.71 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 1.22 0.00 0.00 40 F 9.13 5.34 0.00 2.92 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 41 S 8.38 5.09 0.00 3.86 3.72 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 42 G 8.45 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 0.00 0.00 0.00 43 Q 8.43 4.95 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 44 S 8.28 4.70 0.00 3.91 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 45 T 8.52 4.88 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 1.27 0.00 0.00 46 N 8.13 4.83 0.00 2.78 2.72 0.00 0.00 6.89 6.71 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 47 N 8.30 4.46 0.00 2.86 2.80 0.00 0.00 7.01 8.74 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 48 A 7.29 4.34 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 49 V 8.47 4.14 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 0.61 0.00 0.00 0.95 0.00 0.00 50 I 8.49 4.26 1.87 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 1.26 0.73 0.91 0.00 0.00 51 G 7.00 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 0.00 0.00 0.00 52 T 7.55 4.58 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 1.09 0.00 0.00 53 Q 9.07 4.65 0.00 2.41 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 54 V 8.29 4.53 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 0.83 0.00 0.00 0.90 0.00 0.00 55 L 8.25 4.63 0.00 0.27 1.13 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.27 5.50 0.00 2.67 2.67 0.00 0.00 6.99 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 57 S 9.57 4.32 0.00 3.85 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 58 G 8.89 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 59 S 8.69 4.36 0.00 3.98 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 60 S 8.17 4.30 0.00 3.82 4.20 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 61 G 8.00 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.09 4.39 0.00 1.85 1.67 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.34 7.81 63 V 8.81 4.90 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 0.95 0.00 0.00 0.57 0.00 0.00 64 Q 9.30 4.98 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 65 V 8.79 4.90 2.22 0.00 0.00 0.00 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 1.16 0.00 0.00 66 Q 9.16 4.75 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 67 V 8.44 5.10 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 1.12 0.00 0.00 1.01 0.00 0.00 68 S 9.20 5.15 0.00 3.87 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 69 V 8.55 4.43 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 1.03 0.00 0.00 1.01 0.00 0.00 70 N 9.98 4.21 0.00 2.86 2.86 0.00 0.00 7.27 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 71 G 8.45 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 0.00 0.00 0.00 72 R 7.59 4.48 0.00 1.95 1.93 0.00 3.22 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 73 P 0.00 4.75 0.00 2.09 1.98 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 74 S 8.62 4.73 0.00 3.74 3.89 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 0.00 0.00 0.00 75 D 8.55 4.63 0.00 2.88 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 76 L 8.62 5.58 0.00 1.59 1.61 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.69 4.65 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 0.01 0.00 0.00 0.87 0.00 0.00 78 S 8.45 5.69 0.00 4.27 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 79 A 8.24 4.60 1.27 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 80 Q 8.93 5.08 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 81 V 8.93 4.57 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 1.03 0.00 0.00 0.93 0.00 0.00 82 I 8.40 4.90 1.84 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 1.17 0.74 0.83 0.00 0.00 83 L 9.02 4.60 0.00 1.56 1.57 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.38 3.50 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 1.19 0.00 0.00 85 N 8.41 4.25 0.00 2.82 2.81 0.00 0.00 6.91 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 86 E 8.46 4.49 0.00 1.96 1.81 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 2.20 2.36 0.00 87 L 7.74 4.04 0.00 1.67 1.54 0.37 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.16 4.87 0.00 1.44 1.42 0.00 0.00 6.33 8.66 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 89 F 8.67 5.17 0.00 2.77 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 90 A 9.11 4.81 0.41 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 91 L 9.02 5.27 0.00 1.60 1.59 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.10 5.10 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 1.21 0.00 0.00 1.30 0.00 0.00 93 G 9.52 4.85 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 0.00 0.00 0.00 94 S 8.80 5.52 0.00 3.85 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 95 E 9.01 4.76 0.00 1.16 1.12 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 1.73 2.09 0.00 96 D 9.93 4.90 0.00 2.73 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 97 G 7.90 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 98 T 8.42 4.34 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 1.20 0.00 0.00 99 D 8.01 4.52 0.00 2.97 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 0.00 100 N 8.61 5.15 0.00 2.70 2.64 0.00 0.00 6.64 8.06 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 0.00 101 D 8.24 4.79 0.00 2.81 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 0.00 102 Y 7.97 3.70 0.00 3.17 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 0.00 103 N 8.02 5.07 0.00 2.72 2.92 0.00 0.00 6.32 8.06 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 0.00 104 D 8.61 4.88 0.00 2.73 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 0.00 105 A 7.88 5.06 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 0.00 106 V 9.18 4.69 2.37 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 1.01 0.00 0.00 1.03 0.00 0.00 107 V 9.14 5.01 2.24 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 1.18 0.00 0.00 1.07 0.00 0.00 108 V 9.06 4.94 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 1.16 0.00 0.00 1.17 0.00 0.00 109 I 9.27 5.92 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 1.28 0.00 0.00 110 N 8.82 5.49 0.00 2.40 2.80 0.00 0.00 5.81 8.88 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 0.00 111 W 8.12 5.30 0.00 3.55 3.38 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 0.00 112 P 0.00 5.26 0.00 2.21 2.33 0.00 3.80 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 2.04 2.06 0.00 113 L 8.79 4.41 0.00 1.60 1.66 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *114 G 8.50 3.70 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.