NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1588 8.3444 118.8179 55.2332 30.6272 174.6114 2 L 3.4457 7.6752 121.3943 54.3155 41.6141 170.6257 3 V 4.3790 8.6814 126.9200 61.2441 36.0027 172.9688 4 L 4.9243 8.4654 127.3090 53.5387 43.5219 175.8712 5 T 4.6850 8.5901 119.5354 61.7985 71.8539 172.8804 6 Q 5.3120 8.6319 124.5159 53.6560 31.2529 175.6245 7 S 4.3710 8.9502 118.9258 58.7791 63.6779 174.3726 8 S 4.4252 8.5228 116.2293 57.6511 63.4709 173.8835 9 S 4.3186 8.6740 117.4980 59.7144 63.0764 173.7326 10 A 4.9261 8.4777 124.2924 50.0467 22.6223 174.6025 11 S 5.7010 8.1980 113.3535 56.1524 66.8457 173.5883 12 F 4.8369 8.7771 119.3546 56.6564 43.4241 172.8893 13 S 4.8279 8.6435 115.0959 56.6457 65.9536 173.4953 14 L 4.4168 8.1765 122.1599 55.9322 42.4922 177.8217 15 G 4.2606 8.7567 111.7954 45.1098 0.0000 173.5515 16 A 4.2277 7.5544 121.5087 52.1043 19.8599 176.0659 17 S 5.1378 8.5422 112.7676 56.6321 65.2640 173.0862 18 A 4.6376 8.4282 125.7906 49.9871 22.5970 174.9642 19 K 4.6740 8.6454 121.9795 54.6887 34.7262 175.2560 20 L 4.7790 9.0420 128.6657 53.7495 44.1149 175.8083 21 T 5.2942 9.1885 118.7329 62.0054 72.2140 172.1593 22 C 5.3727 9.2262 125.5228 55.0954 46.3660 172.4695 23 T 5.0411 8.8762 123.1514 61.6340 70.8376 174.3031 24 L 4.5211 8.4776 126.6604 53.9751 42.8603 176.9008 25 S 4.1273 7.9645 115.1110 58.2697 63.9529 174.7265 26 S 4.0351 8.9543 114.6027 61.7724 62.2420 175.3262 27 Q 4.0485 8.0345 121.2304 58.8504 28.9176 177.1185 28 H 4.9685 7.9158 114.8077 55.6148 29.1052 176.2386 *31 S 4.4492 8.0637 115.5305 58.4078 64.5343 174.3413 32 T 4.1819 7.9609 113.4716 63.3260 67.5742 174.0778 33 Y 4.2199 7.8679 118.2901 58.9276 38.7648 175.5823 34 T 4.6788 8.4388 118.9003 62.5505 70.0332 174.4302 35 I 4.5423 8.5570 119.9999 59.2126 41.3159 173.9081 36 E 5.2701 9.2796 120.6865 54.3834 33.2496 175.3369 37 W 5.2418 9.2258 123.1281 55.2461 31.8525 174.5501 38 Y 5.3504 10.0904 122.5869 56.2327 41.4057 174.3153 39 Q 4.7831 9.4951 122.8904 54.3244 32.8176 173.9809 40 Q 4.6028 8.5710 126.3380 54.5674 32.1833 174.4190 41 Q 4.6466 8.5606 125.3802 53.9154 31.1573 173.7417 42 P 4.3116 0.0000 0.0000 64.5270 31.5727 176.5723 43 L 3.6914 8.7631 120.8072 55.1384 39.2266 174.0844 44 K 4.6679 7.6369 117.2521 53.6449 34.8694 174.3690 45 P 4.5010 0.0000 0.0000 61.6372 32.0121 174.7791 46 P 4.6322 0.0000 0.0000 62.6061 32.3238 175.7390 47 K 4.6932 9.7219 125.0290 54.5146 34.9451 174.4582 48 Y 4.4485 8.8738 128.8849 58.2897 39.0398 174.9911 49 V 3.6916 8.4695 127.9752 63.9712 32.8033 175.3269 50 M 4.3766 6.7237 115.0474 54.5906 34.1985 172.4899 51 E 5.2140 8.5274 117.9008 54.5626 32.2343 174.4561 52 L 5.1669 9.2283 127.0149 53.2124 44.8507 176.0619 53 K 4.8274 9.1172 126.5883 54.7670 33.9302 178.1050 54 K 3.9714 8.7349 120.6932 60.0076 32.4658 177.4625 55 D 4.6494 8.1264 116.5797 52.9962 39.4211 177.0859 56 G 4.0784 8.1300 109.5876 45.5335 0.0000 174.6525 57 S 4.4296 8.2817 116.9536 59.5032 63.7367 173.2518 58 H 6.0116 8.5255 117.3442 55.5997 31.2419 172.9867 59 S 4.8342 8.7314 114.7063 56.9367 66.2171 173.5907 60 T 4.5970 8.6354 113.1868 60.8309 70.4043 174.0618 61 G 4.0973 7.8690 110.0336 44.5503 0.0000 172.9277 62 D 4.5687 8.6634 119.8251 55.7447 41.0535 177.0847 63 G 3.8537 8.7845 110.9980 46.4536 0.0000 172.7585 64 I 4.1852 7.0541 119.2504 58.2684 38.8038 174.3216 65 P 4.4618 0.0000 0.0000 62.5583 31.7194 177.0814 66 D 4.6309 8.7611 122.1893 56.2513 41.0114 177.0040 67 R 4.1949 7.9816 115.7674 56.1069 29.4156 175.1594 68 F 5.0956 7.9623 117.4708 56.1919 40.9008 174.8015 69 S 4.7699 9.3380 118.5354 56.4504 66.7870 173.1528 70 G 4.5143 8.0562 106.8364 44.6030 0.0000 171.8650 71 S 5.0382 8.7926 114.1772 56.9055 67.0812 172.9304 72 S 5.1090 8.7051 115.2908 57.2515 66.8284 174.8592 73 S 4.6203 9.3826 117.3867 56.5158 63.9168 175.7071 74 G 3.7867 9.0196 116.5373 45.2754 0.0000 171.2616 75 A 4.4971 8.8373 128.0517 52.0766 21.4111 177.3017 76 D 5.0293 7.6752 116.5481 53.1948 42.8956 175.8876 77 R 4.7538 8.5024 121.2589 54.6546 33.5836 174.3878 78 Y 5.3511 9.4485 122.3443 56.2297 41.5700 174.7699 79 L 4.6210 8.8187 123.5092 53.3174 44.9520 175.0596 80 S 5.0130 9.0101 122.2871 56.5837 65.7082 173.2406 81 I 4.5147 8.6993 125.3044 59.3583 39.4014 174.6675 82 S 4.4531 8.5323 123.1027 58.1060 64.7755 172.7200 83 N 4.1405 8.5982 121.9873 53.2158 36.3597 171.2051 84 I 4.2062 8.7170 123.1100 60.5819 38.0945 175.5073 85 Q 4.8645 8.8982 124.7794 53.3202 30.6176 175.1941 86 P 4.6013 0.0000 0.0000 65.1044 31.6439 178.5977 87 E 4.0537 8.1098 117.1346 59.2116 29.5580 177.5574 88 D 4.7233 8.4070 116.9596 55.3773 40.9209 176.0070 89 E 4.2047 7.9310 121.6305 56.2025 29.7653 175.6865 90 A 4.2928 7.7764 126.4584 52.2294 24.9769 173.6726 91 I 4.7556 7.6317 117.1623 60.1228 39.6535 174.7751 92 Y 5.2043 9.5777 126.1043 56.6120 39.9367 174.8847 93 I 5.1352 9.4040 125.1627 59.5814 41.2608 172.0292 94 C 5.2191 8.8033 120.1224 53.7610 40.0447 172.8243 95 G 4.7629 9.4381 107.6004 43.5398 0.0000 171.5950 96 V 4.4056 7.2509 119.1938 59.7784 34.7873 174.5130 97 G 4.1305 8.3210 110.7728 44.9256 0.0000 173.1464 98 D 4.6175 9.1911 120.6663 53.3701 43.4270 173.2620 99 T 4.4789 7.8343 122.2195 60.9846 69.0729 172.5972 100 I 3.8382 8.1397 119.7245 61.8600 40.4990 172.5887 101 K 3.6562 8.8510 126.9500 57.6496 27.6709 176.0190 102 E 3.8188 8.4228 116.0209 56.7860 28.2492 174.5670 103 Q 4.6015 7.6009 117.8571 54.4434 32.0767 173.2504 104 F 4.3268 8.9488 128.2607 58.4854 40.3236 174.3597 105 V 4.6288 8.1005 123.6923 61.8458 35.8076 172.5332 106 Y 4.7351 8.5331 127.3543 56.0656 42.1704 173.4296 107 V 4.6524 7.8829 126.5261 61.0958 34.3825 174.1088 108 F 5.2121 8.7191 125.1141 55.4450 41.3956 175.7175 109 G 3.8777 9.2554 110.7013 46.0110 0.0000 173.7408 110 G 3.7887 8.7491 107.6023 46.2998 0.0000 175.2213 111 G 4.0864 10.6950 105.6828 45.9072 0.0000 173.5424 112 T 4.6018 8.8492 116.1516 61.5094 71.0158 173.2242 113 K 4.6097 8.8314 129.3788 55.9603 33.6273 175.6528 114 V 4.6801 9.9564 129.5771 62.1240 33.1237 174.6834 115 T 4.5839 8.5498 125.9768 62.0650 70.0150 175.7396 116 V 3.9258 8.7752 126.0778 63.0417 31.5287 175.4545 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 Q 8.34 4.16 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 2 L 7.68 3.45 0.00 1.39 1.38 0.51 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.68 4.38 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 0.90 0.00 0.00 0.87 0.00 0.00 4 L 8.47 4.92 0.00 1.46 1.43 0.78 0.61 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 5 T 8.59 4.69 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 1.22 0.00 0.00 6 Q 8.63 5.31 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 7 S 8.95 4.37 0.00 3.96 4.02 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 8 S 8.52 4.43 0.00 3.93 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 9 S 8.67 4.32 0.00 3.80 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 10 A 8.48 4.93 1.24 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 0.00 0.00 0.00 11 S 8.20 5.70 0.00 3.67 3.91 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 12 F 8.78 4.84 0.00 2.75 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 13 S 8.64 4.83 0.00 3.86 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 14 L 8.18 4.42 0.00 1.69 1.53 0.93 0.97 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 15 G 8.76 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 0.00 0.00 0.00 0.00 16 A 7.55 4.23 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 17 S 8.54 5.14 0.00 3.80 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 18 A 8.43 4.64 -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 19 K 8.65 4.67 0.00 1.65 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.20 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.34 1.37 7.81 20 L 9.04 4.78 0.00 1.10 1.56 0.49 -0.57 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 21 T 9.19 5.29 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 1.28 0.00 0.00 22 C 9.23 5.37 0.00 2.68 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 23 T 8.88 5.04 4.22 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 1.24 0.00 0.00 24 L 8.48 4.52 0.00 1.58 1.53 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.96 4.13 0.00 3.78 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 26 S 8.95 4.04 0.00 3.84 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 27 Q 8.03 4.05 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.28 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 28 H 7.92 4.97 0.00 2.89 2.30 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.06 4.45 0.00 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 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 1.17 0.00 0.00 33 Y 7.87 4.22 0.00 2.79 2.84 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 34 T 8.44 4.68 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 1.29 0.00 0.00 35 I 8.56 4.54 1.83 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.80 0.00 0.00 36 E 9.28 5.27 0.00 2.17 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 2.37 2.36 0.00 37 W 9.23 5.24 0.00 3.16 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 38 Y 10.09 5.35 0.00 3.20 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 39 Q 9.50 4.78 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.07 1.72 0.00 40 Q 8.57 4.60 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 41 Q 8.56 4.65 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 42 P 0.00 4.31 0.00 2.03 2.02 0.00 3.80 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 2.04 2.13 0.00 43 L 8.76 3.69 0.00 1.79 1.78 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.64 4.67 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.56 7.81 45 P 0.00 4.50 0.00 2.04 1.97 0.00 3.68 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 2.02 2.09 0.00 46 P 0.00 4.63 0.00 1.91 1.98 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 47 K 9.72 4.69 0.00 1.65 1.74 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 48 Y 8.87 4.45 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 49 V 8.47 3.69 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 0.68 0.00 0.00 0.91 0.00 0.00 50 M 6.72 4.38 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 51 E 8.53 5.21 0.00 2.24 2.32 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 2.34 2.59 0.00 52 L 9.23 5.17 0.00 1.91 1.70 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.12 4.83 0.00 1.95 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.52 7.81 54 K 8.73 3.97 0.00 1.88 2.10 0.00 1.56 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 55 D 8.13 4.65 0.00 2.83 2.81 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 56 G 8.13 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 0.00 0.00 0.00 57 S 8.28 4.43 0.00 3.90 3.83 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 58 H 8.53 6.01 0.00 3.26 3.29 0.00 5.08 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 59 S 8.73 4.83 0.00 3.86 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 60 T 8.64 4.60 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 1.21 0.00 0.00 61 G 7.87 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 62 D 8.66 4.57 0.00 2.72 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 63 G 8.78 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 64 I 7.05 4.19 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.58 0.00 0.00 65 P 0.00 4.46 0.00 2.59 2.11 0.00 3.49 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 2.38 2.20 0.00 66 D 8.76 4.63 0.00 2.67 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 67 R 7.98 4.19 0.00 1.92 2.05 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 0.00 68 F 7.96 5.10 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 69 S 9.34 4.77 0.00 3.75 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 70 G 8.06 4.51 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 0.00 0.00 0.00 71 S 8.79 5.04 0.00 4.00 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 72 S 8.71 5.11 0.00 3.91 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 73 S 9.38 4.62 0.00 4.16 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 74 G 9.02 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 75 A 8.84 4.50 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 76 D 7.68 5.03 0.00 2.65 1.77 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 77 R 8.50 4.75 0.00 1.68 1.91 0.00 3.43 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 78 Y 9.45 5.35 0.00 2.90 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 79 L 8.82 4.62 0.00 0.27 0.19 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.01 5.01 0.00 3.71 3.82 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 81 I 8.70 4.51 1.32 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.52 0.05 0.00 0.00 82 S 8.53 4.45 0.00 3.73 3.71 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 0.00 0.00 0.00 0.00 83 N 8.60 4.14 0.00 2.91 2.75 0.00 0.00 7.71 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 84 I 8.72 4.21 2.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.77 0.86 0.00 0.00 85 Q 8.90 4.86 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 86 P 0.00 4.60 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 87 E 8.11 4.05 0.00 2.03 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 2.34 2.36 0.00 88 D 8.41 4.72 0.00 2.79 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 89 E 7.93 4.20 0.00 1.98 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 2.36 2.63 0.00 90 A 7.78 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.63 4.76 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 1.26 0.81 0.96 0.00 0.00 92 Y 9.58 5.20 0.00 3.12 3.28 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 93 I 9.40 5.14 2.10 0.00 0.00 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 1.33 1.05 1.18 0.00 0.00 94 C 8.80 5.22 0.00 2.20 1.31 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 0.00 95 G 9.44 4.76 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 96 V 7.25 4.41 1.77 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 0.28 0.00 0.00 0.72 0.00 0.00 97 G 8.32 4.13 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 0.00 0.00 0.00 98 D 9.19 4.62 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.83 4.48 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 1.30 0.00 0.00 100 I 8.14 3.84 1.85 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 1.40 0.19 0.90 0.00 0.00 101 K 8.85 3.66 0.00 1.95 1.98 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.45 7.81 102 E 8.42 3.82 0.00 2.10 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 2.24 2.36 0.00 103 Q 7.60 4.60 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 104 F 8.95 4.33 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.63 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 0.55 0.00 0.00 0.96 0.00 0.00 106 Y 8.53 4.74 0.00 3.05 2.66 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 0.00 0.00 0.00 107 V 7.88 4.65 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 0.84 0.00 0.00 0.80 0.00 0.00 108 F 8.72 5.21 0.00 2.98 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 0.00 109 G 9.26 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 0.00 110 G 8.75 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 0.00 111 G 10.69 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 0.00 112 T 8.85 4.60 4.55 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 1.45 0.00 0.00 113 K 8.83 4.61 0.00 1.90 1.76 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.49 7.81 114 V 9.96 4.68 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 1.02 0.00 0.00 1.19 0.00 0.00 115 T 8.55 4.58 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 1.26 0.00 0.00 116 V 8.78 3.93 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 0.77 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.