NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2228 8.3144 121.7893 55.7091 33.1512 175.1632 2 E 3.8731 8.4879 126.6686 54.4846 30.3226 174.9170 3 T 4.1102 8.7403 118.4437 61.1524 72.1776 174.7988 4 A 4.0029 8.6610 124.1600 55.6593 18.3884 180.0656 5 A 3.9835 8.0166 118.2873 55.3257 18.4672 179.6073 6 A 4.0305 8.1627 119.3752 54.9891 18.3727 179.7357 7 K 4.1148 8.4824 120.1002 59.0640 32.2781 178.8458 8 F 4.0905 8.4364 120.9177 61.3404 39.3976 176.9089 9 E 4.0622 8.4207 118.2270 59.3796 29.0345 179.3639 10 R 3.8396 7.9469 117.6968 59.7203 30.3095 178.4678 11 Q 3.9879 8.1219 116.5948 58.2791 28.7166 176.6743 12 H 4.6818 7.7910 113.1553 54.8140 30.9504 173.0432 13 M 4.4989 7.8183 119.6946 53.9471 33.2468 176.6408 14 D 4.7318 8.1459 122.3842 52.6485 41.9169 174.0189 15 S 4.2462 7.9359 117.1071 58.0930 63.9040 174.9861 16 S 4.2460 8.4722 121.3744 58.5785 63.1871 174.9056 17 T 4.2860 8.1174 114.8981 60.9262 71.3772 175.6456 18 S 4.2172 8.3988 114.5227 61.2308 62.2643 174.1707 19 P 4.2811 0.0000 0.0000 64.8656 31.1549 177.3981 20 A 4.4445 7.6020 116.9850 51.1927 19.6335 177.5280 21 S 4.3482 7.5583 113.8279 57.5867 64.0561 175.8414 22 S 4.2253 8.6627 116.9850 61.1352 62.8882 176.4954 23 S 4.1900 8.1401 114.7335 60.5761 63.0266 174.9723 24 N 4.8578 8.4023 118.2147 53.1140 38.4238 175.7653 25 Y 4.0577 8.0432 123.7803 61.1611 38.8397 177.7103 26 C 4.1852 8.4252 117.2916 60.0133 40.0943 175.6317 27 N 4.4284 8.2479 116.5537 56.4017 38.2132 176.7693 28 L 4.0122 7.3958 119.7542 58.4964 42.3342 178.6354 29 M 3.8604 7.4710 117.4134 57.8093 33.2847 178.2098 30 M 4.3658 7.9363 119.9339 55.5306 27.5536 177.3493 *33 R 4.3550 7.3898 114.5122 55.0455 32.5270 175.6982 34 N 4.2457 8.0785 113.3353 54.7591 35.7154 174.5874 35 L 4.5940 8.1714 115.9163 54.9528 42.0027 177.8573 36 T 5.3408 7.5460 106.1010 60.1951 69.6800 175.1012 37 K 4.2713 8.4974 123.2338 59.6646 32.2300 177.6633 38 D 4.6661 7.6429 115.9334 54.7690 42.6545 175.8140 39 R 3.3034 6.9478 113.2402 55.2846 31.4019 173.8340 40 C 4.9089 8.6821 116.3815 55.8587 40.7485 173.8640 41 K 4.2537 8.3725 127.2111 55.6537 32.5569 174.5087 42 P 4.5871 0.0000 0.0000 65.5710 32.0989 176.2793 43 V 5.0412 7.5736 115.6268 61.8128 34.8770 173.2202 44 N 4.7708 8.8816 122.4406 52.9291 42.8715 173.0539 45 T 4.7673 7.5979 118.6393 61.5971 71.9157 173.2510 46 F 4.6751 9.0334 124.6219 55.6490 41.8629 174.6413 47 V 4.4868 8.3725 122.2430 61.6732 32.9462 174.8760 48 H 4.9018 9.0444 124.1144 55.7603 29.4577 175.0346 49 E 4.2883 8.1209 118.6963 55.3761 30.4267 176.9271 50 S 4.3939 8.2644 114.9933 58.2714 65.0952 174.9647 51 L 3.9972 8.4468 123.5396 58.0874 41.8561 178.9945 52 A 4.0391 7.9541 120.5630 55.2965 18.1793 179.2024 53 D 4.3545 7.8558 116.3921 57.0913 41.1211 178.8921 54 V 3.7958 7.7260 119.0011 65.9907 31.7466 178.0903 55 Q 3.9802 8.6482 117.8763 58.9144 28.5133 178.7610 56 A 4.0360 8.1776 121.6280 54.8307 18.2684 179.6608 57 V 3.5228 7.6736 116.8257 65.8777 31.2897 176.7666 58 C 4.1027 7.7724 114.2652 57.7242 39.9232 173.8765 59 S 4.6566 7.6249 114.3639 57.9318 64.1224 174.4967 60 Q 4.1292 7.3707 122.3607 56.2390 27.0895 178.3570 61 K 4.3455 8.4159 133.6405 56.3321 32.6286 174.8436 62 N 4.2931 8.8029 127.4791 53.7886 39.3527 174.2768 63 V 4.5988 8.1529 118.2410 59.1635 36.2730 175.1578 64 A 4.0720 8.3791 124.8989 52.2372 19.1206 178.5332 65 C 4.6824 8.6095 119.3769 56.1201 41.1794 175.3112 66 K 3.7982 9.2402 122.5474 59.5506 31.6723 178.2805 67 N 4.4574 7.9424 113.7786 53.2603 37.7737 175.5986 68 G 3.9982 7.8233 107.1808 45.6850 0.0000 174.0915 69 Q 4.2956 7.9399 118.8083 56.1096 29.5157 176.0627 70 T 4.5740 8.3026 106.4481 61.6851 69.0495 173.8760 71 N 5.1072 7.9969 118.0391 53.7976 38.6301 174.5672 72 C 5.3023 7.8628 115.9322 56.6983 44.4041 172.4320 73 Y 4.9949 9.0064 118.8815 56.3047 42.1553 173.9633 74 Q 5.0950 9.0733 124.8372 54.0739 31.4801 174.9562 75 S 4.3775 8.7721 121.5624 58.4269 63.2530 174.1844 76 Y 4.4845 8.5552 120.5175 60.4825 37.8715 175.8931 77 S 5.0978 7.8077 112.0013 56.0575 66.4036 173.9983 78 T 4.2653 8.2740 109.9087 61.9225 69.6972 173.7366 79 M 5.0291 9.3154 122.5575 53.3014 36.6790 174.8371 80 S 4.9892 9.6424 117.3294 58.4407 63.4908 173.1328 81 I 5.1601 8.8993 119.9378 59.6192 41.8208 174.0105 82 T 5.0189 8.8849 118.7385 61.9588 72.0610 172.8057 83 D 5.2684 9.3100 126.4177 52.9809 43.3927 174.6928 84 C 5.6207 9.0518 120.4701 55.2908 41.2501 173.2345 85 R 5.2942 8.9015 121.7465 54.0960 33.7956 174.7242 86 E 4.1155 9.1971 124.3224 56.6267 30.1919 177.4865 87 T 4.1807 8.7591 114.6033 60.8753 69.8836 175.9936 88 G 3.6007 8.5652 111.8273 48.6108 0.0000 174.7835 89 S 4.3654 7.3642 112.5052 58.3386 63.5579 174.4776 90 S 4.0143 7.4783 116.7403 58.8077 62.7208 173.7893 91 K 4.2822 8.7192 127.7987 55.3385 34.2311 174.3566 92 Y 4.3358 8.7894 127.9199 57.9458 38.9213 174.1099 93 P 3.6372 0.0000 0.0000 62.7905 32.2177 176.7932 94 N 4.6463 7.7888 119.8351 52.3745 36.9473 173.7600 95 C 4.6651 7.8035 116.8491 56.7890 38.7396 173.3822 96 A 5.0203 8.2149 123.5387 50.8632 22.4180 174.8526 97 Y 5.1273 9.3516 119.1079 56.0111 42.1771 174.9479 98 K 4.5169 9.2501 124.2838 55.8281 34.0843 175.2529 99 T 5.1320 8.5514 123.4703 62.4367 70.6187 174.1717 100 T 4.6057 8.8298 122.0481 61.9598 72.0597 173.3040 101 Q 4.7956 8.8120 125.4146 55.6351 30.3981 174.8323 102 A 4.5582 8.7830 122.9974 51.4619 23.7581 174.8169 103 N 5.4269 8.6564 115.2749 51.8624 41.1091 174.5356 104 K 4.7616 8.9198 122.4279 54.6427 37.3691 175.9877 105 H 4.8979 9.3296 119.9598 56.0065 29.9546 174.7350 106 I 4.9080 8.5895 114.5387 59.2182 41.0725 174.2784 107 I 4.8580 8.3464 123.8270 59.6945 40.0976 175.2255 108 V 4.7044 8.6091 119.1594 59.3631 36.0864 174.3331 109 A 5.1401 8.8393 124.0529 50.8522 21.1351 175.5944 110 C 5.2145 8.5378 117.6506 55.5033 40.1992 173.2772 111 E 4.7082 8.8348 118.9150 56.4903 34.4808 175.2542 112 G 4.0083 9.6499 107.2889 44.7557 0.0000 171.9221 113 N 5.0181 8.1590 116.0473 50.6861 40.3339 172.1951 114 P 4.3582 0.0000 0.0000 62.7293 32.0010 175.6791 115 Y 4.8896 8.2848 121.0435 56.7994 38.8770 174.4882 116 V 4.5310 8.2524 119.4642 58.4094 36.8460 173.3663 117 P 4.6720 0.0000 0.0000 63.2035 31.0641 177.0994 118 V 4.3761 8.9717 116.1525 61.2892 33.9962 175.5366 119 H 4.9310 7.8422 116.8131 54.1819 33.4792 171.9775 120 F 4.6401 8.8575 124.7940 57.2287 39.5650 174.5334 121 D 4.6356 8.3530 126.6652 56.2771 42.2645 175.7993 122 A 4.5308 6.5800 116.8708 51.5801 22.3971 175.1582 123 S 5.2237 8.7089 114.6572 57.1351 66.3006 174.8521 124 V 4.0722 8.7155 121.9789 63.5946 31.7769 173.2957 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 K 8.31 4.22 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 2 E 8.49 3.87 0.00 2.13 1.82 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 2.39 2.37 0.00 3 T 8.74 4.11 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 4 A 8.66 4.00 1.36 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 0.00 0.00 0.00 5 A 8.02 3.98 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 6 A 8.16 4.03 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 7 K 8.48 4.11 0.00 1.84 2.03 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.44 4.09 0.00 3.24 3.27 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 9 E 8.42 4.06 0.00 2.28 2.05 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 2.52 2.70 0.00 10 R 7.95 3.84 0.00 1.78 2.09 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 Q 8.12 3.99 0.00 1.66 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 12 H 7.79 4.68 0.00 2.06 2.77 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.82 4.50 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.72 0.00 14 D 8.15 4.73 0.00 2.53 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.25 0.00 3.91 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 16 S 8.47 4.25 0.00 3.86 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 17 T 8.12 4.29 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 1.21 0.00 0.00 18 S 8.40 4.22 0.00 3.92 3.90 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 19 P 0.00 4.28 0.00 2.06 2.10 0.00 3.72 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 2.03 2.15 0.00 20 A 7.60 4.44 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 21 S 7.56 4.35 0.00 4.04 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 22 S 8.66 4.23 0.00 4.15 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 23 S 8.14 4.19 0.00 4.04 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 0.00 24 N 8.40 4.86 0.00 2.88 2.88 0.00 0.00 6.44 7.08 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 25 Y 8.04 4.06 0.00 2.97 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 26 C 8.43 4.19 0.00 3.18 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 27 N 8.25 4.43 0.00 2.89 2.96 0.00 0.00 6.84 7.85 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 28 L 7.40 4.01 0.00 1.54 1.65 0.85 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 29 M 7.47 3.86 0.00 0.77 1.19 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 30 M 7.94 4.37 0.00 1.68 1.81 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.52 0.00 *33 R 7.39 4.35 0.00 1.99 2.08 0.00 3.55 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 34 N 8.08 4.25 0.00 2.89 2.94 0.00 0.00 6.99 7.85 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 35 L 8.17 4.59 0.00 1.82 1.65 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.55 5.34 4.43 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 0.00 0.00 1.41 0.00 0.00 37 K 8.50 4.27 0.00 1.81 1.96 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.44 7.81 38 D 7.64 4.67 0.00 2.56 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 39 R 6.95 3.30 0.00 1.54 1.63 0.00 3.06 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 1.42 1.40 0.00 40 C 8.68 4.91 0.00 3.10 3.17 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 0.00 0.00 0.00 0.00 41 K 8.37 4.25 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.42 7.81 42 P 0.00 4.59 0.00 2.15 2.13 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 43 V 7.57 5.04 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 0.75 0.00 0.00 0.98 0.00 0.00 44 N 8.88 4.77 0.00 2.64 2.25 0.00 0.00 7.11 6.81 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 45 T 7.60 4.77 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 0.84 0.00 0.00 46 F 9.03 4.68 0.00 3.08 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 47 V 8.37 4.49 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 0.86 0.00 0.00 1.01 0.00 0.00 48 H 9.04 4.90 0.00 3.15 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.12 4.29 0.00 1.99 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 2.35 2.27 0.00 50 S 8.26 4.39 0.00 4.06 4.01 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 51 L 8.45 4.00 0.00 1.79 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 4.04 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 53 D 7.86 4.35 0.00 2.86 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 54 V 7.73 3.80 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 0.97 0.00 0.00 55 Q 8.65 3.98 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 56 A 8.18 4.04 1.45 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 57 V 7.67 3.52 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 0.99 0.00 0.00 58 C 7.77 4.10 0.00 2.86 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 59 S 7.62 4.66 0.00 3.91 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 60 Q 7.37 4.13 0.00 1.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 61 K 8.42 4.35 0.00 2.01 1.81 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81 62 N 8.80 4.29 0.00 2.77 2.66 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 63 V 8.15 4.60 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.38 4.07 1.19 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 65 C 8.61 4.68 0.00 3.04 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 66 K 9.24 3.80 0.00 1.66 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.77 7.81 67 N 7.94 4.46 0.00 2.81 2.91 0.00 0.00 6.26 7.00 0.00 0.00 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 G 7.82 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 0.00 0.00 0.00 69 Q 7.94 4.30 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 70 T 8.30 4.57 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 1.19 0.00 0.00 71 N 8.00 5.11 0.00 3.12 3.20 0.00 0.00 6.06 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 72 C 7.86 5.30 0.00 2.90 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 73 Y 9.01 4.99 0.00 2.85 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 74 Q 9.07 5.10 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 75 S 8.77 4.38 0.00 3.91 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 76 Y 8.56 4.48 0.00 3.04 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 77 S 7.81 5.10 0.00 3.85 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 78 T 8.27 4.27 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 1.01 0.00 0.00 79 M 9.32 5.03 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 80 S 9.64 4.99 0.00 3.88 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 81 I 8.90 5.16 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 1.03 0.00 0.00 82 T 8.88 5.02 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 1.31 0.00 0.00 83 D 9.31 5.27 0.00 2.58 2.60 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 84 C 9.05 5.62 0.00 2.76 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 85 R 8.90 5.29 0.00 1.81 1.83 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 86 E 9.20 4.12 0.00 1.89 1.76 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 1.71 2.37 0.00 87 T 8.76 4.18 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 1.19 0.00 0.00 88 G 8.57 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 0.00 0.00 0.00 89 S 7.36 4.37 0.00 4.15 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 90 S 7.48 4.01 0.00 3.82 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 91 K 8.72 4.28 0.00 1.91 1.60 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.52 7.81 92 Y 8.79 4.34 0.00 2.98 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 93 P 0.00 3.64 0.00 1.79 1.03 0.00 3.59 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 94 N 7.79 4.65 0.00 2.94 2.76 0.00 0.00 7.02 7.27 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 95 C 7.80 4.67 0.00 3.13 3.11 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 0.00 0.00 0.00 96 A 8.21 5.02 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.35 5.13 0.00 2.87 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 98 K 9.25 4.52 0.00 1.84 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 99 T 8.55 5.13 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 1.29 0.00 0.00 100 T 8.83 4.61 4.28 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 1.23 0.00 0.00 101 Q 8.81 4.80 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 102 A 8.78 4.56 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.66 5.43 0.00 2.57 2.73 0.00 0.00 6.62 7.61 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 0.00 104 K 8.92 4.76 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.60 7.81 105 H 9.33 4.90 0.00 3.23 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.59 4.91 1.72 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 1.26 1.24 1.12 0.00 0.00 107 I 8.35 4.86 1.75 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 1.13 0.72 0.79 0.00 0.00 108 V 8.61 4.70 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 0.53 0.00 0.00 0.88 0.00 0.00 109 A 8.84 5.14 1.23 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 0.00 0.00 110 C 8.54 5.21 0.00 1.80 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 0.00 0.00 0.00 111 E 8.83 4.71 0.00 1.81 1.82 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 2.21 2.41 0.00 112 G 9.65 4.01 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 0.00 0.00 0.00 113 N 8.16 5.02 0.00 2.64 2.71 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.36 0.00 2.24 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.28 4.89 0.00 2.86 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 0.00 116 V 8.25 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 0.66 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.67 0.00 1.90 1.95 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 118 V 8.97 4.38 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 0.60 0.00 0.00 0.87 0.00 0.00 119 H 7.84 4.93 0.00 3.02 3.13 0.00 5.60 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 0.00 120 F 8.86 4.64 0.00 3.02 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 0.00 121 D 8.35 4.64 0.00 2.57 2.50 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 0.00 122 A 6.58 4.53 1.16 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 0.00 0.00 123 S 8.71 5.22 0.00 3.83 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 0.00 124 V 8.72 4.07 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 0.87 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.