NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4876 8.3349 117.0928 57.9115 63.0249 171.8740 2 V 4.3400 7.2819 118.7834 59.0620 36.3136 174.8225 3 L 4.2920 8.7387 120.0741 53.3049 43.4887 176.1366 4 L 4.1998 8.1786 119.1007 55.6819 43.0405 177.9826 5 T 5.5593 8.2865 120.3130 60.8196 72.7156 173.4231 *7 I 4.0828 8.0223 121.2731 61.3705 38.5147 175.1533 8 A 4.6869 7.7861 127.3374 49.6472 23.0806 174.7393 9 R 4.0262 8.5331 121.3470 55.9340 30.7338 177.4655 10 V 3.3647 8.7797 127.4357 66.2993 31.8793 176.9194 11 A 4.1462 7.9756 121.1273 54.9373 18.0867 177.9330 12 D 4.6580 7.4628 109.7326 52.4009 40.5494 175.7531 13 G 3.7027 8.5993 106.4298 46.2054 0.0000 173.8000 14 L 3.9459 7.6207 122.3414 54.1903 43.0004 175.0600 15 P 4.2326 0.0000 0.0000 62.9889 32.3624 175.5618 16 L 4.6221 9.1546 119.9745 55.8894 44.0209 176.2899 17 A 5.3485 7.5607 116.6315 51.0680 22.5245 174.1541 18 A 4.7386 8.8476 118.2715 52.0460 23.1407 176.6684 19 S 4.2832 8.8940 114.3115 57.2868 65.2262 173.5643 *21 Q 4.2516 8.4405 126.1623 56.0253 29.6062 174.0872 22 E 4.5652 8.3495 121.2161 54.9988 33.6680 174.3221 23 D 4.2950 8.7389 118.7601 54.3048 38.9590 171.3448 24 E 3.6341 8.5595 127.0763 56.9059 27.1190 174.6265 25 Q 4.4538 7.9346 120.6932 53.3406 30.2795 175.6954 26 S 4.8423 8.2442 111.3771 57.8317 64.9529 174.8815 27 G 3.9252 8.9237 116.3873 48.6860 0.0000 175.7981 28 R 3.8567 7.8743 122.0595 61.3293 29.4638 180.2847 29 D 3.8387 7.7735 119.5854 56.9116 40.9101 178.4799 30 L 4.0072 8.0334 123.4813 59.1669 41.9174 179.9361 31 Q 3.9811 7.9543 120.2871 60.3108 28.1524 180.4831 32 Q 4.2221 7.8485 121.9192 58.9860 29.0972 177.9827 33 Y 4.7252 8.4043 118.3782 61.3740 37.9411 178.2998 34 Q 4.1798 8.2761 119.1830 58.8527 28.8975 178.8930 35 S 4.1697 8.3097 115.4916 61.6073 62.5754 176.6248 36 Q 3.9307 8.3011 121.5291 58.3220 28.3222 178.5990 37 A 3.4618 7.7870 121.6653 54.8444 18.3442 179.6625 38 K 3.9935 7.9914 119.4251 60.5261 32.0206 180.2079 39 Q 4.0008 7.6495 118.4814 59.1872 27.6488 179.6371 40 L 4.2072 6.9897 118.9846 58.3031 42.2686 178.6051 41 F 4.4915 7.7984 120.1824 61.5271 38.7152 178.4663 42 R 4.0120 8.1238 118.9433 61.2402 29.1398 179.9412 43 K 4.3462 7.5559 116.3164 57.2469 32.7266 177.2126 44 L 4.1331 7.2215 119.6225 55.1348 42.3818 176.1447 45 N 4.9282 8.7525 118.8060 51.8749 39.9470 174.5331 46 E 3.9954 8.8934 117.4222 60.3045 29.7853 178.3932 47 Q 4.2368 9.0524 117.1115 55.9549 28.5010 180.2692 48 S 4.5144 7.5581 112.4376 58.4713 63.5115 172.4549 49 P 4.5210 0.0000 0.0000 62.8000 31.8213 177.0544 50 T 4.3500 8.4562 111.5714 63.5602 70.1293 174.0233 51 R 5.0133 7.4969 121.3804 54.8469 33.4098 173.6660 52 C 4.6565 8.3289 122.3611 58.8506 35.6885 172.4093 53 T 5.1663 8.6380 120.8040 61.7621 71.3530 173.1999 54 L 4.7702 9.4449 127.1838 52.7088 44.6701 175.8870 55 E 4.4885 8.9491 124.0857 55.5994 30.2054 177.8887 56 A 4.7365 8.0619 127.1607 51.1172 20.4996 177.0816 57 G 3.9525 7.8936 118.8798 46.7720 0.0000 174.9597 58 A 4.1696 8.6629 123.9996 52.6523 18.5984 176.2198 *60 T 4.4139 7.8975 114.6402 64.9463 70.2504 173.2020 61 F 4.8580 9.2326 125.0632 56.9023 41.1990 174.6884 62 H 5.5535 9.1086 118.6303 54.6187 33.2584 172.0216 63 Y 6.1981 9.1049 119.1529 56.7897 41.8956 173.3369 64 I 5.4351 8.8460 112.1919 59.5565 41.7311 173.9419 65 I 5.1602 9.2980 124.7870 59.8256 39.7521 175.2089 66 E 4.6137 8.9348 125.7957 56.1163 33.3548 175.5815 67 Q 3.2872 9.8663 121.3923 57.0863 26.6618 174.5824 68 G 3.8978 8.3809 101.9637 45.8461 0.0000 173.2918 69 V 4.5331 7.8089 119.4851 60.7437 34.7827 173.7905 70 C 5.0279 8.6562 128.6459 58.2302 33.3875 171.6669 71 Y 4.6005 9.2046 125.0531 56.4738 39.3905 174.4836 72 L 5.7086 8.7074 126.5049 53.2469 45.8754 175.3422 73 V 5.0389 9.1668 124.3397 60.0466 35.3543 173.5637 74 L 4.8832 8.9344 126.5666 53.3551 44.4216 174.8317 75 C 4.8525 8.1266 119.5915 56.6309 33.3838 173.1989 76 E 4.1137 8.6640 117.7715 56.5835 29.4723 178.4547 77 A 4.0667 9.6445 127.1566 54.6218 18.5773 179.2252 78 A 4.0915 7.9749 117.0386 54.6717 18.7129 177.8237 79 F 3.9938 8.0032 118.6879 57.4109 40.0069 172.7228 80 P 4.0040 0.0000 0.0000 62.8278 31.4505 176.3638 81 K 3.7049 9.1332 127.2761 60.5192 32.0981 178.8291 82 K 4.0811 8.2420 122.9280 60.0173 31.3373 180.7183 83 L 4.4077 7.9267 119.1284 57.9380 41.6071 179.0814 84 A 4.0238 8.3019 120.1945 55.7583 18.0965 179.5472 85 F 4.3290 7.9212 115.5275 60.1901 38.9779 178.0113 86 A 4.1610 7.8059 119.6820 55.0658 18.2405 178.8108 87 Y 3.2681 7.9773 118.1890 60.7073 38.7239 178.4671 88 L 3.7997 8.0417 119.6760 57.8576 41.8261 179.3479 89 E 3.9427 8.4939 118.7983 59.6098 29.2782 179.2288 90 D 4.4799 8.6285 119.2028 57.3335 40.8392 178.8535 91 L 4.4286 7.7578 119.5139 58.6301 41.6767 178.3586 92 H 3.4658 8.3239 118.6084 59.0828 29.4326 176.8864 93 S 3.9755 8.1635 115.5058 61.7542 62.6818 176.4686 94 E 3.8055 8.0126 122.6055 58.6461 29.3145 178.4629 95 F 3.3514 8.4756 121.1166 61.1056 39.3565 176.5947 96 D 4.1678 8.5531 118.0401 57.2223 40.7957 177.6469 97 E 3.7947 7.4861 118.6119 59.4518 29.7305 178.4374 98 Q 4.0832 7.6199 115.6338 57.5296 29.1837 176.4690 99 H 4.6859 8.2070 113.8757 54.8499 31.8072 175.0194 100 G 3.9173 8.1642 112.4239 48.4551 0.0000 176.1813 101 K 4.0872 7.9553 120.1346 56.6836 32.1093 179.5408 102 K 4.2902 7.9146 119.2113 58.1082 32.4791 178.4613 103 V 3.7745 8.1795 119.6790 65.5504 31.2745 175.6305 104 P 4.3450 0.0000 0.0000 63.8983 31.3611 176.2752 105 T 4.5149 7.6733 107.7936 61.4195 70.1084 174.9720 106 V 3.8839 7.1733 116.4924 61.5748 32.0251 175.9794 107 S 4.5559 8.3998 116.2432 58.4282 64.5735 175.2283 108 R 4.3414 7.7721 119.3546 54.3296 30.1777 179.5809 109 P 4.3110 0.0000 0.0000 63.3308 32.6201 175.5116 110 Y 4.3740 7.7821 115.2137 58.5610 35.7275 172.1818 111 S 4.2728 7.8977 111.9890 59.4846 63.7359 174.9990 112 F 5.0610 7.7020 120.1582 56.3726 39.9648 177.2683 113 I 3.9406 8.4439 116.2144 64.4415 37.8072 177.1877 114 E 4.0245 8.6995 121.0501 59.4131 29.3160 178.7187 115 F 4.4796 8.8576 120.0688 60.9501 39.2688 176.4574 116 D 4.5298 9.2379 120.4178 57.7577 40.5121 178.6842 117 T 3.8514 7.8543 109.6316 65.0151 68.6370 176.1720 118 F 3.9020 8.0344 123.3222 60.5802 39.2916 176.8384 119 I 3.5827 7.5019 119.3904 64.4352 37.0764 178.2283 120 Q 4.0440 8.3584 121.3383 59.6918 28.3966 179.7565 121 K 3.9093 7.8907 123.2730 60.3286 32.0607 180.8802 122 T 4.1321 7.9942 117.3853 65.8917 68.2271 176.8224 123 K 3.9863 8.4236 122.1650 59.5625 32.0509 178.6057 124 K 3.8475 7.8170 118.3170 59.9344 31.8566 179.0668 125 L 3.9848 7.4393 116.2678 57.1544 41.4565 178.3783 126 Y 4.4011 8.3013 118.2626 60.2938 38.9872 176.3159 127 I 4.0830 7.0378 120.8386 60.0843 35.6394 177.2318 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 S 8.33 4.49 0.00 3.65 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 2 V 7.28 4.34 1.95 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 0.81 0.00 0.00 0.78 0.00 0.00 3 L 8.74 4.29 0.00 1.16 0.99 -0.05 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.18 4.20 0.00 1.52 1.64 0.94 0.41 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 5 T 8.29 5.56 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 1.47 0.00 0.00 *7 I 8.02 4.08 1.48 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 -0.36 0.00 0.00 8 A 7.79 4.69 0.15 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 9 R 8.53 4.03 0.00 1.77 1.80 0.00 3.09 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 10 V 8.78 3.36 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 0.77 0.00 0.00 0.87 0.00 0.00 11 A 7.98 4.15 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 12 D 7.46 4.66 0.00 2.70 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 13 G 8.60 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 14 L 7.62 3.95 0.00 1.97 1.45 0.90 1.05 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 15 P 0.00 4.23 0.00 0.49 1.27 0.00 3.29 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 16 L 9.15 4.62 0.00 1.35 1.77 0.68 1.04 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 17 A 7.56 5.35 1.55 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 0.00 0.00 0.00 18 A 8.85 4.74 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 19 S 8.89 4.28 0.00 3.88 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 *21 Q 8.44 4.25 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 22 E 8.35 4.57 0.00 1.88 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 2.19 2.19 0.00 23 D 8.74 4.30 0.00 2.69 2.55 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 0.00 24 E 8.56 3.63 0.00 2.02 1.94 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 2.20 2.34 0.00 25 Q 7.93 4.45 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 26 S 8.24 4.84 0.00 3.98 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 27 G 8.92 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 28 R 7.87 3.86 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 29 D 7.77 3.84 0.00 2.49 1.66 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 30 L 8.03 4.01 0.00 1.70 1.63 1.00 0.63 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 31 Q 7.95 3.98 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 32 Q 7.85 4.22 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 33 Y 8.40 4.73 0.00 3.18 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 34 Q 8.28 4.18 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 35 S 8.31 4.17 0.00 4.07 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 36 Q 8.30 3.93 0.00 2.45 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 37 A 7.79 3.46 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 38 K 7.99 3.99 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.80 1.65 7.81 39 Q 7.65 4.00 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 40 L 6.99 4.21 0.00 1.48 1.30 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.80 4.49 0.00 3.22 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 42 R 8.12 4.01 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 43 K 7.56 4.35 0.00 1.83 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.51 7.81 44 L 7.22 4.13 0.00 1.81 1.57 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.75 4.93 0.00 2.90 2.91 0.00 0.00 6.55 7.26 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 46 E 8.89 4.00 0.00 2.11 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 0.00 2.28 2.25 0.00 47 Q 9.05 4.24 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 48 S 7.56 4.51 0.00 4.06 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 49 P 0.00 4.52 0.00 2.17 1.97 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 50 T 8.46 4.35 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 1.24 0.00 0.00 51 R 7.50 5.01 0.00 1.61 1.59 0.00 2.80 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.00 52 C 8.33 4.66 0.00 2.59 1.54 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 53 T 8.64 5.17 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 1.28 0.00 0.00 54 L 9.44 4.77 0.00 1.60 1.59 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.95 4.49 0.00 1.89 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 2.34 2.35 0.00 56 A 8.06 4.74 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 57 G 7.89 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 0.00 0.00 0.00 58 A 8.66 4.17 1.28 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 0.00 0.00 *60 T 7.90 4.41 4.17 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 1.11 0.00 0.00 61 F 9.23 4.86 0.00 3.03 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 62 H 9.11 5.55 0.00 2.83 2.46 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.10 6.20 0.00 3.36 3.18 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 64 I 8.85 5.44 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 1.13 0.00 0.00 65 I 9.30 5.16 2.02 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 1.29 1.00 0.97 0.00 0.00 66 E 8.93 4.61 0.00 1.81 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 67 Q 9.87 3.29 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 68 G 8.38 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 0.00 0.00 0.00 69 V 7.81 4.53 2.25 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 -0.12 0.00 0.00 0.90 0.00 0.00 70 C 8.66 5.03 0.00 2.87 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 71 Y 9.20 4.60 0.00 3.05 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 72 L 8.71 5.71 0.00 1.98 1.73 1.26 0.79 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 73 V 9.17 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 0.73 0.00 0.00 0.86 0.00 0.00 74 L 8.93 4.88 0.00 1.08 1.09 -0.88 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.13 4.85 0.00 2.69 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 76 E 8.66 4.11 0.00 1.98 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 0.00 2.36 2.27 0.00 77 A 9.64 4.07 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 78 A 7.97 4.09 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 79 F 8.00 3.99 0.00 2.95 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 80 P 0.00 4.00 0.00 1.72 1.79 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 81 K 9.13 3.70 0.00 1.87 1.89 0.00 2.02 0.00 0.00 2.02 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.83 1.72 7.81 82 K 8.24 4.08 0.00 1.80 1.83 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.12 7.81 83 L 7.93 4.41 0.00 1.66 1.99 0.43 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.30 4.02 1.06 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 85 F 7.92 4.33 0.00 3.20 3.09 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 86 A 7.81 4.16 1.68 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 0.00 0.00 87 Y 7.98 3.27 0.00 2.14 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 88 L 8.04 3.80 0.00 2.00 1.76 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.49 3.94 0.00 2.21 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 2.63 2.56 0.00 90 D 8.63 4.48 0.00 2.94 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 91 L 7.76 4.43 0.00 1.91 2.06 0.59 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.32 3.47 0.00 2.14 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.16 3.98 0.00 4.06 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 94 E 8.01 3.81 0.00 1.81 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 0.00 1.47 1.88 0.00 95 F 8.48 3.35 0.00 2.90 3.14 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 96 D 8.55 4.17 0.00 2.83 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 97 E 7.49 3.79 0.00 1.90 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 2.22 2.28 0.00 98 Q 7.62 4.08 0.00 1.63 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 99 H 8.21 4.69 0.00 1.44 2.24 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.16 3.92 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 0.00 0.00 0.00 101 K 7.96 4.09 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 102 K 7.91 4.29 0.00 1.85 1.99 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.46 7.81 103 V 8.18 3.77 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 0.95 0.00 0.00 0.76 0.00 0.00 104 P 0.00 4.34 0.00 2.22 2.15 0.00 3.72 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 1.99 1.95 0.00 105 T 7.67 4.51 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 0.00 106 V 7.17 3.88 1.99 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 0.66 0.00 0.00 1.08 0.00 0.00 107 S 8.40 4.56 0.00 3.89 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 0.00 108 R 7.77 4.34 0.00 1.85 1.75 0.00 3.27 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 109 P 0.00 4.31 0.00 2.22 2.03 0.00 3.89 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 2.07 2.03 0.00 110 Y 7.78 4.37 0.00 3.30 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 0.00 111 S 7.90 4.27 0.00 3.34 3.24 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 0.00 112 F 7.70 5.06 0.00 3.58 3.09 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 0.00 113 I 8.44 3.94 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.97 0.00 0.00 114 E 8.70 4.02 0.00 2.13 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 0.00 2.50 2.48 0.00 115 F 8.86 4.48 0.00 3.44 3.45 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 0.00 116 D 9.24 4.53 0.00 2.88 2.79 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 0.00 117 T 7.85 3.85 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 1.26 0.00 0.00 118 F 8.03 3.90 0.00 2.92 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 0.00 0.00 0.00 119 I 7.50 3.58 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.55 1.05 0.00 0.00 120 Q 8.36 4.04 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 121 K 7.89 3.91 0.00 1.84 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 122 T 7.99 4.13 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 1.31 0.00 0.00 123 K 8.42 3.99 0.00 2.06 1.95 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.21 7.81 124 K 7.82 3.85 0.00 2.02 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.67 7.81 125 L 7.44 3.98 0.00 1.93 1.60 0.91 0.80 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 0.00 126 Y 8.30 4.40 0.00 2.79 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 0.00 127 I 7.04 4.08 1.87 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 1.16 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.