NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9420 8.3393 109.7352 45.5092 0.0000 172.8626 7 S 4.1924 8.3161 114.4400 57.4486 63.8549 173.5908 8 D 4.4700 9.4333 123.9505 56.5843 42.0651 177.8803 9 D 4.7322 7.8262 118.4959 53.7817 41.9809 174.7986 10 S 4.8884 7.5337 115.2189 57.6657 63.9968 174.2185 11 Y 4.4539 8.7010 122.5309 60.1935 38.6858 175.7610 12 A 4.5914 7.5451 117.9587 50.9295 22.6649 175.2900 13 R 5.2568 8.6617 120.7536 54.9810 33.2443 174.4663 14 V 4.7560 9.2147 118.3386 59.9613 37.0134 174.2326 15 R 5.2140 8.6372 120.2546 54.8437 31.5216 175.7637 16 A 4.6341 8.9154 124.7779 50.6082 23.8173 174.3483 17 V 4.3804 8.3536 119.4473 61.3033 33.2335 175.3444 18 V 4.2199 8.3630 128.2720 63.1920 32.9481 174.4873 19 M 5.3454 9.1631 126.9281 54.0025 35.6188 174.6216 20 T 4.9715 9.0712 114.9259 60.5392 71.7042 172.1833 21 R 3.9844 7.7874 125.9877 54.1065 31.7743 175.0282 22 D 4.2633 8.7908 129.4698 54.6587 41.4382 177.3025 23 D 4.1666 8.8287 128.5276 56.9515 40.3031 175.1291 24 S 4.3051 8.2537 115.1025 60.9658 62.4222 177.8339 25 S 4.3194 8.1428 113.9558 58.1056 63.5583 175.4189 26 G 3.7619 8.3651 108.3465 44.8283 0.0000 173.6640 27 G 3.8881 7.4906 106.8586 45.8541 0.0000 172.9223 28 W 5.1845 8.6583 120.6040 54.9697 31.3166 175.5494 29 L 4.9256 9.0911 121.8258 52.7762 45.8806 175.7777 30 Q 4.5125 8.4685 120.0352 55.1360 30.0310 175.6947 31 L 4.0673 8.9859 127.5325 56.4466 42.5424 177.2148 32 G 3.7990 9.5756 113.1268 46.6117 0.0000 174.2623 33 G 3.8055 8.4079 105.6461 45.1024 0.0000 176.4998 34 G 3.6884 7.7459 106.5778 46.2836 0.0000 174.3259 35 G 4.0601 8.6638 106.3632 45.5721 0.0000 172.9918 36 L 4.4262 8.1926 120.5733 54.6147 43.0678 176.1631 37 S 5.1829 9.0172 118.3778 56.6046 66.8812 173.4028 38 S 4.7253 8.9345 118.5096 58.0998 63.2548 172.8850 39 V 5.1747 9.2514 128.5536 61.3225 34.0065 174.3805 40 T 5.3487 9.3654 117.8250 59.9778 72.5562 172.7593 41 V 4.9454 8.5064 123.3723 61.6171 33.6460 174.8110 42 S 5.0529 9.2747 122.9549 56.7603 68.0604 173.5800 43 K 4.5840 8.2161 120.2903 56.4706 32.4250 177.6943 44 T 3.9767 8.6134 119.0227 62.9759 67.8311 175.0202 *45 L 4.2711 8.5182 128.4410 56.5141 41.7110 178.3800 46 Q 4.6928 7.6938 114.6305 53.1702 28.3327 178.6726 47 P 4.5088 0.0000 0.0000 62.7614 33.4516 178.7731 48 G 3.8461 7.6797 107.9047 47.4058 0.0000 173.9640 49 D 4.8392 8.8539 123.8571 52.8354 39.5007 175.9491 50 S 4.6987 7.5684 116.2747 57.5752 64.5157 173.3819 51 G 3.8132 8.3787 108.1312 45.9863 0.0000 173.6824 52 G 3.7638 8.4326 111.1494 46.1570 0.0000 174.6269 53 T 4.3543 8.0616 114.6245 61.7042 69.8539 174.8529 54 E 5.1868 7.9190 120.8580 54.6544 33.5216 174.3986 55 F 5.1613 8.9715 116.4916 55.2145 42.4462 172.8130 56 L 5.1041 9.2841 120.2163 53.2019 45.1611 174.9687 57 V 4.9640 8.6471 126.0894 61.4899 33.9073 173.7150 58 H 5.3909 9.4646 127.3537 54.4104 33.5646 172.0752 59 G 4.4498 9.3131 112.3734 44.3998 0.0000 170.7240 60 E 5.1605 9.0315 126.5560 54.0398 32.3013 175.0112 61 R 4.5594 9.0569 128.8349 56.0306 30.6159 177.4597 62 L 4.0050 9.0041 127.0813 57.9688 42.0309 179.5569 63 R 3.9174 8.1389 117.4319 58.5852 30.1291 176.5717 64 D 4.8415 7.9470 113.9138 51.9090 40.0705 175.8886 65 K 4.0833 7.2990 115.9408 57.5056 30.3699 175.2229 66 T 4.6221 7.5991 113.8212 61.4457 71.9866 175.2433 67 V 4.2181 8.6077 126.8614 63.3600 31.6005 175.7669 68 V 4.4390 8.6741 120.8133 61.1008 33.4139 175.8639 69 L 4.7244 7.6302 123.1477 53.4537 45.5658 174.5495 70 E 4.9503 8.7678 127.5855 55.6693 31.7663 173.6013 71 C 4.6724 9.2741 125.7981 57.7518 31.8090 173.5808 72 V 4.2525 8.4067 124.4921 62.0286 31.8086 174.9379 73 L 4.6893 8.3987 127.6868 53.0485 45.8617 175.8081 74 R 5.0123 7.8590 118.1752 54.6954 34.4108 176.0771 75 R 4.0838 8.8632 115.2633 59.1577 29.4744 177.1180 76 D 4.5608 8.0233 116.3347 53.6439 39.8568 176.1677 77 L 3.9359 7.7382 123.1434 55.6771 42.4003 176.1062 78 V 4.1716 8.4981 125.5117 61.4835 32.2827 174.0658 79 Y 4.7598 8.5836 129.5328 56.1705 39.8488 174.2617 80 N 4.6042 8.8451 125.9926 52.1529 40.3331 174.5755 81 K 4.4081 8.4523 123.3366 55.1010 33.3027 175.8995 82 V 3.9459 8.4090 125.6978 64.1949 32.3314 175.4999 83 T 4.8349 7.3720 107.2831 58.8244 71.9462 172.5000 84 P 4.4198 0.0000 0.0000 65.0957 31.5071 177.8327 85 T 4.9410 8.2731 107.3343 60.8757 70.8308 173.0949 86 F 5.4896 8.4885 124.4829 57.6308 42.4618 173.0885 87 H 5.1689 8.7450 122.6386 54.3961 33.0071 172.2010 88 H 5.0380 8.4023 115.4400 54.8289 32.4484 171.8091 89 W 5.5663 8.7014 116.0509 56.0483 31.7604 173.2906 90 R 5.2903 9.0128 114.9916 54.5515 32.0975 174.7430 91 I 4.6109 8.8953 119.7657 60.2909 40.2087 176.5221 92 G 3.7700 8.3864 116.6805 47.3007 0.0000 173.4660 93 D 4.7082 8.8428 123.9080 53.6450 41.1759 176.0563 94 K 4.1079 8.1498 120.8740 55.4737 32.9193 176.0643 95 K 4.8516 7.7221 121.7572 54.5272 35.0955 175.4442 96 F 4.9631 8.6985 120.3963 56.2361 43.8417 173.8956 97 G 3.8031 8.2570 106.8217 45.5989 0.0000 171.6130 98 L 5.1129 8.7265 118.8216 53.2285 46.1702 176.0401 99 T 4.8807 8.6397 120.6286 62.1378 70.0856 174.3144 100 F 4.8455 8.9612 126.1264 56.5108 39.9901 176.6448 101 Q 4.2165 8.9590 119.8659 58.4621 29.3224 177.0247 102 S 4.7047 7.7096 111.1683 55.4745 66.8975 173.2291 103 P 4.5834 0.0000 0.0000 65.1830 31.0111 178.8686 104 A 3.9667 7.9445 119.1377 55.1793 18.2740 179.2467 105 D 4.2858 8.2821 117.2226 57.4075 40.8257 178.8089 106 A 2.5800 7.5741 120.9291 54.6608 18.1846 179.8943 107 R 3.8121 8.1158 116.4810 59.3130 30.1237 179.1605 108 A 3.9448 8.1394 120.6844 55.0714 18.2815 179.5361 109 F 3.8682 8.4019 119.3976 61.2973 39.4441 176.8268 110 D 4.0838 8.4726 118.0912 57.4268 40.9667 178.4431 111 R 3.8538 8.2458 118.8999 59.1097 29.9480 179.1886 112 G 3.3747 7.8317 105.4056 47.7061 0.0000 175.6860 113 I 3.0704 7.2347 122.4862 63.8134 37.0119 178.4474 114 R 3.6125 7.6763 119.5150 59.3556 29.8780 178.7410 115 R 3.7091 7.8971 117.8973 58.9623 29.7779 178.7676 116 A 2.6952 6.6564 119.3083 54.8277 18.4959 179.4831 117 I 3.5467 6.9518 118.3576 64.2160 36.9459 178.3334 118 E 4.0322 7.8002 116.7519 58.4024 29.7278 177.8542 119 D 4.5167 7.4710 118.2287 54.1197 41.6624 176.5883 120 L 4.3689 6.9496 120.0341 55.1727 42.2452 177.0863 121 S 4.7606 8.7170 118.2874 56.3872 65.5564 173.7047 122 Q 4.1351 8.5842 118.7871 55.8462 29.3263 177.4365 123 G 3.7251 8.4934 109.2520 45.9939 0.0000 173.6982 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 6 G 8.34 3.94 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 0.00 0.00 0.00 7 S 8.32 4.19 0.00 4.07 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 8 D 9.43 4.47 0.00 2.64 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 9 D 7.83 4.73 0.00 2.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.53 4.89 0.00 3.77 3.76 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 11 Y 8.70 4.45 0.00 2.73 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 12 A 7.55 4.59 1.15 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 13 R 8.66 5.26 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 14 V 9.21 4.76 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 0.88 0.00 0.00 1.17 0.00 0.00 15 R 8.64 5.21 0.00 1.72 1.88 0.00 3.21 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 16 A 8.92 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.35 4.38 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 1.03 0.00 0.00 0.89 0.00 0.00 18 V 8.36 4.22 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 1.07 0.00 0.00 0.95 0.00 0.00 19 M 9.16 5.35 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 20 T 9.07 4.97 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 1.18 0.00 0.00 21 R 7.79 3.98 0.00 0.67 0.97 0.00 2.39 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 22 D 8.79 4.26 0.00 2.59 2.54 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 0.00 0.00 0.00 0.00 23 D 8.83 4.17 0.00 2.74 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 24 S 8.25 4.31 0.00 3.62 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 25 S 8.14 4.32 0.00 3.92 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 26 G 8.37 3.76 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 0.00 0.00 0.00 27 G 7.49 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 0.00 0.00 0.00 28 W 8.66 5.18 0.00 2.92 3.08 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 29 L 9.09 4.93 0.00 1.48 1.49 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.47 4.51 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 31 L 8.99 4.07 0.00 1.69 1.65 1.02 1.17 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 32 G 9.58 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 0.00 0.00 0.00 33 G 8.41 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 34 G 7.75 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 0.00 0.00 0.00 35 G 8.66 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 36 L 8.19 4.43 0.00 1.63 1.60 0.93 0.83 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 37 S 9.02 5.18 0.00 3.82 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 38 S 8.93 4.73 0.00 3.95 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 39 V 9.25 5.17 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 1.11 0.00 0.00 0.97 0.00 0.00 40 T 9.37 5.35 4.32 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 1.31 0.00 0.00 41 V 8.51 4.95 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 0.80 0.00 0.00 -0.01 0.00 0.00 42 S 9.27 5.05 0.00 3.77 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 43 K 8.22 4.58 0.00 1.90 1.77 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.26 7.81 44 T 8.61 3.98 4.44 0.00 0.00 0.00 0.00 0.00 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 *45 L 8.52 4.27 0.00 1.71 1.56 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.69 4.69 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 47 P 0.00 4.51 0.00 2.22 2.33 0.00 3.81 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 2.07 1.96 0.00 48 G 7.68 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 0.00 0.00 0.00 49 D 8.85 4.84 0.00 2.76 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 50 S 7.57 4.70 0.00 3.84 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 51 G 8.38 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 52 G 8.43 3.76 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 0.00 0.00 0.00 53 T 8.06 4.35 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 1.24 0.00 0.00 54 E 7.92 5.19 0.00 1.84 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 2.17 2.27 0.00 55 F 8.97 5.16 0.00 3.25 3.06 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 56 L 9.28 5.10 0.00 1.74 1.68 1.00 0.87 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 57 V 8.65 4.96 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 1.21 0.00 0.00 0.84 0.00 0.00 58 H 9.46 5.39 0.00 3.33 3.13 0.00 5.77 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 59 G 9.31 4.45 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 0.00 0.00 0.00 60 E 9.03 5.16 0.00 2.13 1.86 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 2.22 2.25 0.00 61 R 9.06 4.56 0.00 1.90 1.92 0.00 3.32 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 62 L 9.00 4.01 0.00 1.77 1.71 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.14 3.92 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.28 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 64 D 7.95 4.84 0.00 2.79 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 65 K 7.30 4.08 0.00 1.88 1.88 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 66 T 7.60 4.62 4.37 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 1.22 0.00 0.00 67 V 8.61 4.22 2.09 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 0.71 0.00 0.00 0.98 0.00 0.00 68 V 8.67 4.44 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 0.79 0.00 0.00 0.96 0.00 0.00 69 L 7.63 4.72 0.00 1.80 1.60 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.77 4.95 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 2.21 2.39 0.00 71 C 9.27 4.67 0.00 2.75 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 72 V 8.41 4.25 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 0.72 0.00 0.00 0.90 0.00 0.00 73 L 8.40 4.69 0.00 0.27 0.83 0.33 0.45 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 74 R 7.86 5.01 0.00 1.88 1.82 0.00 3.13 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 75 R 8.86 4.08 0.00 1.93 2.10 0.00 3.04 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 D 8.02 4.56 0.00 2.85 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 77 L 7.74 3.94 0.00 1.79 1.74 1.00 0.98 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 78 V 8.50 4.17 2.19 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 0.92 0.00 0.00 1.00 0.00 0.00 79 Y 8.58 4.76 0.00 2.93 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 80 N 8.85 4.60 0.00 2.24 2.44 0.00 0.00 6.51 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 81 K 8.45 4.41 0.00 1.54 1.70 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.78 1.22 7.81 82 V 8.41 3.95 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 0.95 0.00 0.00 0.77 0.00 0.00 83 T 7.37 4.83 4.31 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 0.00 0.00 1.34 0.00 0.00 84 P 0.00 4.42 0.00 2.23 2.17 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 85 T 8.27 4.94 4.56 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 1.30 0.00 0.00 86 F 8.49 5.49 0.00 2.94 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 87 H 8.74 5.17 0.00 3.24 2.52 0.00 5.70 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.40 5.04 0.00 2.82 2.20 0.00 5.49 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.70 5.57 0.00 3.56 3.51 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 90 R 9.01 5.29 0.00 2.21 2.04 0.00 3.19 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 91 I 8.90 4.61 2.23 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 1.38 1.04 1.02 0.00 0.00 92 G 8.39 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 0.00 0.00 0.00 93 D 8.84 4.71 0.00 2.66 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 94 K 8.15 4.11 0.00 2.12 1.34 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.28 7.81 95 K 7.72 4.85 0.00 1.29 1.61 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.38 7.81 96 F 8.70 4.96 0.00 1.51 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 97 G 8.26 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 0.00 0.00 0.00 98 L 8.73 5.11 0.00 1.02 0.44 0.65 0.91 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 99 T 8.64 4.88 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 1.18 0.00 0.00 100 F 8.96 4.85 0.00 2.92 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 0.00 101 Q 8.96 4.22 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 102 S 7.71 4.70 0.00 4.02 3.94 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 0.00 103 P 0.00 4.58 0.00 2.18 2.15 0.00 3.89 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 2.13 2.04 0.00 104 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 0.00 105 D 8.28 4.29 0.00 3.05 2.89 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 0.00 106 A 7.57 2.58 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 0.00 107 R 8.12 3.81 0.00 1.99 1.96 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 108 A 8.14 3.94 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 0.00 109 F 8.40 3.87 0.00 3.33 3.07 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 0.00 110 D 8.47 4.08 0.00 3.00 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 0.00 111 R 8.25 3.85 0.00 1.98 1.86 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 112 G 7.83 3.37 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 0.00 113 I 7.23 3.07 1.32 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.43 0.00 0.00 114 R 7.68 3.61 0.00 1.67 1.87 0.00 3.00 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 115 R 7.90 3.71 0.00 1.46 1.47 0.00 3.44 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 116 A 6.66 2.70 -0.02 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 0.00 117 I 6.95 3.55 1.61 0.00 0.00 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 1.55 0.52 0.83 0.00 0.00 118 E 7.80 4.03 0.00 2.02 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 0.00 2.38 2.20 0.00 119 D 7.47 4.52 0.00 2.66 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 0.00 120 L 6.95 4.37 0.00 1.61 1.62 1.04 1.09 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 0.00 121 S 8.72 4.76 0.00 3.83 3.94 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 0.00 122 Q 8.58 4.14 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 123 G 8.49 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.