NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5873 8.1476 120.3416 55.3678 33.6372 175.2186 2 N 5.1203 8.7737 122.1481 50.7806 40.6348 174.4089 3 I 3.3153 9.1528 120.3960 64.2718 38.2757 178.9652 4 S 4.1114 8.1123 115.6715 61.5522 62.6408 176.1099 5 D 4.3357 7.9723 121.1948 57.3434 40.5601 178.8510 6 V 3.4326 7.5428 118.0964 65.6021 31.3574 178.0026 7 A 4.2805 7.7574 121.9381 54.5189 18.0258 179.6597 8 K 3.8512 7.7106 115.5584 59.7071 32.2705 179.1820 9 I 3.8379 7.6727 118.9904 64.7119 37.2210 178.2287 10 T 4.2154 7.9724 108.3281 62.1382 69.0344 175.9055 11 G 3.8867 8.3522 109.5228 45.4931 0.0000 173.0377 12 L 4.6472 7.3657 119.8850 53.1245 43.6098 176.4552 13 T 4.3273 8.0477 111.8280 61.5248 71.1418 176.0592 14 S 4.1688 8.5841 118.4042 61.6864 62.8196 177.2684 15 K 4.0147 7.9974 120.8209 59.2459 31.7905 179.0425 16 A 3.7954 7.9327 121.1800 55.0034 18.2715 179.7879 17 I 3.8680 7.7729 118.3481 64.6860 37.2285 178.8623 18 R 4.0243 8.0495 118.9457 59.0902 29.8198 178.8381 19 F 4.0028 8.2361 120.3905 61.6358 39.3493 176.6842 20 Y 4.3245 8.1144 116.6058 61.1371 37.6119 178.4925 21 E 3.9646 8.4296 120.0859 59.4779 29.6109 178.7216 22 E 3.9490 8.4255 117.5974 58.9816 29.5201 178.5424 23 K 4.2561 7.7554 116.0774 55.1958 32.2335 176.8380 24 G 3.9905 7.8165 107.0337 46.6700 0.0000 175.1655 25 L 4.3060 8.0970 120.4179 55.4164 42.2290 177.2049 26 V 4.6083 7.2856 109.8668 59.1605 35.6669 175.0735 27 T 4.0530 8.9121 118.7864 62.8936 68.6830 173.2751 28 P 4.3563 0.0000 0.0000 61.7992 31.8970 174.6425 29 P 4.3690 0.0000 0.0000 62.7871 32.6203 175.8646 30 M 4.4560 8.2636 120.4848 54.9606 34.2326 174.9066 31 R 5.2157 8.1812 117.8401 54.5460 33.2439 176.7926 32 S 4.4866 9.0163 118.3019 57.3515 64.4287 174.8425 33 E 3.8617 8.7539 119.2698 59.7511 29.0300 178.1571 34 N 4.3950 8.0262 112.6345 53.1982 38.6983 175.6498 35 G 3.6930 8.0953 106.7007 45.6363 0.0000 173.0334 36 Y 4.8908 7.4718 117.0952 56.2128 39.9986 175.4783 37 R 4.3953 8.7842 121.9888 56.7356 30.9142 175.8443 38 T 4.7998 8.2620 118.3662 60.5689 69.4425 172.6581 39 Y 4.8116 9.3595 127.0045 56.6010 40.6919 175.0679 40 T 4.7008 8.5758 111.2473 59.3992 72.0055 174.7706 41 Q 4.0398 8.6194 121.0753 59.2786 28.6637 177.8042 42 Q 4.0700 7.8781 120.5394 59.6681 29.0748 178.1387 43 H 4.2694 8.1410 116.5991 58.8450 28.6820 177.8571 44 L 4.0205 7.8694 120.4528 57.7910 41.4541 179.1216 45 N 4.2123 8.2510 116.4593 56.1791 38.3936 177.3631 46 E 3.7461 8.3253 120.0538 59.4441 29.5396 179.4628 47 L 3.8721 8.0120 118.9622 57.9355 41.6529 179.8266 48 T 3.7693 7.9661 115.7155 66.5607 68.3776 176.4510 49 L 3.8218 7.8771 122.5101 57.9909 42.1072 178.8094 50 L 3.7537 7.9735 120.5308 57.9446 42.0005 178.9962 51 R 3.8844 8.0595 118.8012 59.5531 30.1584 178.5385 52 Q 3.9786 8.5840 117.9897 58.7384 28.5561 178.3633 53 A 4.0885 8.2555 122.1817 55.4311 18.4441 179.8078 54 R 4.6184 7.7613 117.1347 59.2693 30.0155 179.3846 55 Q 4.1450 8.0906 116.3725 58.1523 28.6373 178.4244 56 V 4.2980 7.3583 117.9706 61.5373 31.8708 175.6633 57 G 3.8403 7.8563 111.6665 46.5607 0.0000 175.6195 58 F 4.4340 8.0383 119.3536 57.1892 39.5446 175.1492 59 N 5.1804 9.3141 123.2912 51.7437 39.9132 176.1129 60 L 4.0390 8.5016 119.3544 58.3023 41.7589 179.1584 61 E 3.9587 8.3258 118.2466 59.7030 29.6486 178.7546 62 E 4.0712 9.4524 118.8706 59.5325 29.5314 179.5581 63 S 4.1041 8.6535 115.8723 61.3724 62.9459 176.9208 64 G 3.6219 8.4874 108.9246 47.8093 0.0000 175.6461 65 E 4.0569 8.0314 120.3147 58.9821 29.3464 179.3674 66 L 3.8916 7.5789 118.9498 57.6689 41.6094 179.6281 67 V 3.6134 7.7141 118.2799 65.8597 31.1761 177.8952 68 N 4.3272 7.7646 115.4429 56.3845 38.5684 177.0902 69 L 3.9822 8.0606 120.3899 57.3902 41.3929 179.2682 70 F 4.2194 8.1026 120.1291 61.5946 39.5199 176.8883 71 N 4.1753 7.9716 113.7853 54.1349 38.4847 175.0157 72 D 4.4179 6.9884 121.1264 53.1259 41.8279 173.8937 73 P 4.3768 0.0000 0.0000 65.7243 32.3421 178.3030 74 Q 4.3286 8.1195 118.7779 55.7857 28.2270 176.8741 *76 H 4.6395 8.6463 109.6303 55.7771 30.6556 175.6268 77 S 4.0732 8.3729 117.8355 61.9700 62.6211 176.2668 78 A 4.0317 7.9394 122.7665 55.1593 18.1362 179.0571 79 D 4.2977 8.0999 115.9922 57.1208 41.2149 178.3535 80 V 3.7080 7.8499 118.9963 65.4427 31.6502 177.9261 81 K 3.9630 7.9714 118.9816 59.2412 32.0835 178.9206 82 R 3.8977 8.2300 119.2796 59.4072 30.0896 178.6507 83 R 4.0143 7.7374 117.7117 59.6307 30.0928 179.1311 84 T 4.1202 8.2631 115.6133 66.8991 68.4198 176.7217 85 L 4.1359 8.1990 120.2981 57.1422 41.5630 178.9959 86 E 4.0190 8.0432 119.5550 58.7071 29.5622 178.4464 87 K 3.8526 8.2137 120.1758 59.1951 32.2004 179.2313 88 V 3.5412 7.8312 119.4339 64.7877 31.2913 178.2832 89 A 4.1167 7.8145 121.5374 54.7530 18.2476 179.2504 90 E 3.8948 8.0784 118.0337 59.3961 29.6921 179.1414 91 I 3.8138 7.8722 120.1242 64.2768 37.1783 178.2368 92 E 4.0993 8.7383 119.9071 59.3306 29.2157 179.6452 93 R 3.9245 8.0133 118.3408 59.3437 30.0588 178.5160 94 H 4.2222 8.0924 117.8770 59.3283 29.8365 177.3478 95 I 3.6159 8.3126 121.9171 64.2552 36.9470 177.9031 96 E 3.8866 8.5814 120.3814 59.3717 29.5077 178.4161 97 E 3.9438 8.5876 119.6104 59.4492 29.6855 178.8366 98 L 4.0429 8.1810 119.0482 57.8191 41.5403 179.5365 99 Q 3.9955 8.3217 118.2883 58.8601 28.5497 178.6684 100 S 4.0703 8.2211 114.2409 61.6448 62.4287 176.1600 101 M 4.3019 8.0572 122.7606 57.7847 31.6650 178.7047 102 R 3.8742 8.1164 118.8584 59.6305 30.3146 178.3592 103 D 4.3626 8.3719 118.8902 57.3538 40.8780 178.7885 104 Q 4.0063 8.3155 118.7392 59.0467 28.6872 178.9229 105 L 4.1205 8.0813 119.9938 57.7951 41.7464 179.5858 106 L 4.0113 8.2249 118.6429 57.2164 41.3664 179.4633 107 A 3.9866 7.9775 121.1945 55.1570 18.5054 179.6869 108 L 3.9517 7.9528 117.3691 57.7502 41.4146 179.6321 109 A 3.9925 8.0164 120.1880 55.2016 18.4159 178.9092 110 N 4.3562 7.9405 114.1011 56.6426 39.0883 176.5740 111 A 4.1738 7.5716 120.8347 53.1391 17.5394 177.2955 112 C 4.2571 7.4681 119.0015 58.4967 32.1662 172.8611 113 P 4.4148 0.0000 0.0000 63.6217 31.4083 176.4255 114 G 4.0452 7.4337 104.9832 46.7030 0.0000 171.8717 115 D 4.8086 7.6339 119.0863 52.2907 41.6819 175.4599 116 D 4.6948 8.7640 121.4801 53.7598 39.8930 176.3322 117 S 4.5353 7.9613 114.5424 57.5155 64.2836 174.3543 118 A 4.0631 8.3702 124.1526 54.5126 18.5749 177.6073 119 D 4.2952 8.0559 115.5425 54.8462 40.9336 176.2794 120 C 4.6192 8.4180 124.3420 56.1552 34.3606 172.3384 121 P 4.3289 0.0000 0.0000 65.5105 30.9528 178.5248 122 I 3.6635 7.6385 119.6598 64.3876 37.0677 178.0064 123 I 3.6756 7.6502 119.9410 64.5368 36.8522 177.8871 124 E 3.9179 8.0292 118.5254 59.2854 29.4831 178.0208 125 N 4.6236 8.0262 114.6367 54.7565 39.0941 176.6843 126 L 4.2843 7.9586 118.9869 57.2771 42.4431 177.2152 127 S 4.9352 7.9273 115.2179 57.5849 64.2772 174.4498 128 G 3.7318 8.1530 108.6231 45.9959 0.0000 173.2024 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 M 8.15 4.59 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 2 N 8.77 5.12 0.00 2.98 3.00 0.00 0.00 6.27 6.45 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 3 I 9.15 3.32 2.08 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 1.59 1.17 0.94 0.00 0.00 4 S 8.11 4.11 0.00 4.00 3.86 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 5 D 7.97 4.34 0.00 2.77 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 6 V 7.54 3.43 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 0.84 0.00 0.00 0.47 0.00 0.00 7 A 7.76 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 3.85 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.65 7.81 9 I 7.67 3.84 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.90 0.00 0.00 10 T 7.97 4.22 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 1.20 0.00 0.00 11 G 8.35 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 12 L 7.37 4.65 0.00 1.71 1.64 1.08 0.75 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 13 T 8.05 4.33 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 14 S 8.58 4.17 0.00 3.87 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 15 K 8.00 4.01 0.00 1.75 1.82 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 16 A 7.93 3.80 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 17 I 7.77 3.87 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.04 0.98 0.00 0.00 18 R 8.05 4.02 0.00 2.11 2.03 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 19 F 8.24 4.00 0.00 3.10 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 Y 8.11 4.32 0.00 3.26 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 21 E 8.43 3.96 0.00 2.15 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 0.00 2.32 2.38 0.00 22 E 8.43 3.95 0.00 1.94 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 0.00 2.55 2.49 0.00 23 K 7.76 4.26 0.00 1.43 1.68 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.93 1.25 7.81 24 G 7.82 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 25 L 8.10 4.31 0.00 1.87 1.72 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.29 4.61 2.33 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 0.75 0.00 0.00 1.06 0.00 0.00 27 T 8.91 4.05 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 1.23 0.00 0.00 28 P 0.00 4.36 0.00 2.03 1.98 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 P 0.00 4.37 0.00 1.45 0.92 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.36 0.00 30 M 8.26 4.46 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 31 R 8.18 5.22 0.00 1.60 1.74 0.00 3.51 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 32 S 9.02 4.49 0.00 4.01 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 33 E 8.75 3.86 0.00 1.97 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 2.32 2.29 0.00 34 N 8.03 4.39 0.00 2.49 2.54 0.00 0.00 7.01 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 35 G 8.10 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 36 Y 7.47 4.89 0.00 3.02 2.85 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 37 R 8.78 4.40 0.00 1.82 1.47 0.00 3.29 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 1.56 1.67 0.00 38 T 8.26 4.80 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 1.20 0.00 0.00 39 Y 9.36 4.81 0.00 2.80 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 40 T 8.58 4.70 4.30 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 1.28 0.00 0.00 41 Q 8.62 4.04 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 42 Q 7.88 4.07 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 43 H 8.14 4.27 0.00 3.62 3.63 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.87 4.02 0.00 1.96 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.25 4.21 0.00 2.97 2.57 0.00 0.00 7.04 7.15 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 46 E 8.33 3.75 0.00 2.15 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 2.45 2.67 0.00 47 L 8.01 3.87 0.00 1.74 1.71 0.97 0.72 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 48 T 7.97 3.77 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 1.14 0.00 0.00 49 L 7.88 3.82 0.00 1.37 1.62 0.73 0.51 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 50 L 7.97 3.75 0.00 1.75 1.45 0.73 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.06 3.88 0.00 1.99 2.03 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 52 Q 8.58 3.98 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 53 A 8.26 4.09 1.26 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 54 R 7.76 4.62 0.00 2.08 2.06 0.00 3.63 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 55 Q 8.09 4.15 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.16 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 56 V 7.36 4.30 2.15 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 1.07 0.00 0.00 0.96 0.00 0.00 57 G 7.86 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 0.00 0.00 0.00 58 F 8.04 4.43 0.00 3.13 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 59 N 9.31 5.18 0.00 3.04 3.02 0.00 0.00 6.90 7.01 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 60 L 8.50 4.04 0.00 1.83 1.91 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.33 3.96 0.00 2.07 2.16 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 2.41 2.45 0.00 62 E 9.45 4.07 0.00 2.43 2.23 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 2.43 2.76 0.00 63 S 8.65 4.10 0.00 3.97 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 64 G 8.49 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.03 4.06 0.00 2.20 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 0.00 2.33 2.64 0.00 66 L 7.58 3.89 0.00 1.71 1.51 0.65 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.71 3.61 2.21 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 1.11 0.00 0.00 0.85 0.00 0.00 68 N 7.76 4.33 0.00 2.96 2.84 0.00 0.00 7.07 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 69 L 8.06 3.98 0.00 1.79 1.63 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.10 4.22 0.00 2.98 3.30 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 71 N 7.97 4.18 0.00 2.72 2.79 0.00 0.00 7.09 8.22 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 72 D 6.99 4.42 0.00 2.68 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 73 P 0.00 4.38 0.00 2.05 2.07 0.00 3.71 0.00 0.00 3.69 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 74 Q 8.12 4.33 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.22 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 *76 H 8.65 4.64 0.00 3.29 3.36 0.00 5.91 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 77 S 8.37 4.07 0.00 3.87 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 78 A 7.94 4.03 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 D 8.10 4.30 0.00 2.85 2.85 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 80 V 7.85 3.71 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 1.02 0.00 0.00 0.98 0.00 0.00 81 K 7.97 3.96 0.00 2.03 1.96 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 8.23 3.90 0.00 2.05 2.09 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 83 R 7.74 4.01 0.00 2.14 2.14 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 84 T 8.26 4.12 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 85 L 8.20 4.14 0.00 1.72 1.73 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.04 4.02 0.00 2.26 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 2.31 2.47 0.00 87 K 8.21 3.85 0.00 1.53 1.71 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.76 1.16 7.81 88 V 7.83 3.54 2.06 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 0.81 0.00 0.00 0.92 0.00 0.00 89 A 7.81 4.12 1.37 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 90 E 8.08 3.89 0.00 2.13 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 0.00 2.26 2.31 0.00 91 I 7.87 3.81 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.88 0.00 0.00 92 E 8.74 4.10 0.00 1.95 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 0.00 2.32 2.57 0.00 93 R 8.01 3.92 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 94 H 8.09 4.22 0.00 3.38 3.45 0.00 5.79 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 95 I 8.31 3.62 2.03 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 1.36 0.59 0.89 0.00 0.00 96 E 8.58 3.89 0.00 2.07 2.16 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 2.31 2.32 0.00 97 E 8.59 3.94 0.00 2.05 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 2.33 2.37 0.00 98 L 8.18 4.04 0.00 1.83 1.67 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.32 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 100 S 8.22 4.07 0.00 3.90 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 0.00 101 M 8.06 4.30 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 102 R 8.12 3.87 0.00 1.94 2.10 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 103 D 8.37 4.36 0.00 2.89 2.70 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 0.00 104 Q 8.32 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 105 L 8.08 4.12 0.00 1.83 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.22 4.01 0.00 1.74 1.71 0.92 0.89 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 0.00 107 A 7.98 3.99 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 0.00 108 L 7.95 3.95 0.00 1.88 1.73 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.02 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.36 0.00 2.81 3.02 0.00 0.00 7.25 7.74 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 0.00 111 A 7.57 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.47 4.26 0.00 3.13 3.02 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 0.00 113 P 0.00 4.41 0.00 2.27 2.10 0.00 3.88 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 2.15 2.08 0.00 114 G 7.43 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 0.00 0.00 0.00 115 D 7.63 4.81 0.00 2.73 2.62 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 0.00 0.00 0.00 116 D 8.76 4.69 0.00 2.80 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 0.00 117 S 7.96 4.54 0.00 4.02 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 0.00 118 A 8.37 4.06 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 0.00 119 D 8.06 4.30 0.00 2.68 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 0.00 120 C 8.42 4.62 0.00 2.92 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 0.00 121 P 0.00 4.33 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 122 I 7.64 3.66 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 1.64 0.78 0.91 0.00 0.00 123 I 7.65 3.68 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 1.52 1.16 0.91 0.00 0.00 124 E 8.03 3.92 0.00 2.04 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 0.00 2.32 2.36 0.00 125 N 8.03 4.62 0.00 2.90 2.85 0.00 0.00 7.09 7.75 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 0.00 126 L 7.96 4.28 0.00 1.72 1.71 0.92 0.67 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 0.00 127 S 7.93 4.94 0.00 3.89 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 0.00 128 G 8.15 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.