NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4252 8.2929 115.4112 58.0081 64.2974 174.5987 5 S 4.0263 8.3889 118.6372 62.5887 61.9510 170.7801 6 S 4.3282 8.7842 116.3099 61.7742 62.6698 175.8493 7 T 3.8798 7.8122 118.1208 66.4380 68.2667 176.4031 8 K 3.9468 7.9423 121.1541 59.3283 32.2224 178.8109 9 K 3.9639 7.8132 119.6795 59.7647 32.1013 179.0218 10 T 3.9137 7.8322 115.7046 66.4062 68.3531 176.5446 11 Q 3.9435 8.1729 121.5269 59.3494 29.1487 178.4719 12 L 4.0624 7.9134 119.8498 57.6554 41.5381 179.5563 13 Q 4.0379 7.9782 117.8816 58.9565 28.6841 178.6560 14 L 4.0355 8.1123 120.0153 57.5349 41.6400 179.1353 15 E 3.9699 8.2784 119.6437 59.4137 29.5380 178.3698 16 H 4.2944 8.2577 118.4989 58.8878 29.9452 177.0475 17 L 3.8876 8.1676 122.3975 57.9240 41.9843 178.5005 18 L 3.9247 7.9140 120.3075 58.2591 41.9361 178.7984 19 L 3.9561 7.7341 119.5527 58.2179 42.1623 178.6365 20 D 4.2838 8.0351 118.8395 57.4728 40.9035 178.8640 21 L 4.0590 7.8988 119.3473 57.7221 41.5660 179.6098 22 Q 4.0381 8.1208 118.2947 58.9254 28.7012 178.4619 23 M 4.0479 8.2745 120.0440 58.3832 32.0075 178.8480 24 I 3.6484 7.5670 119.4029 64.3411 37.3175 178.1908 25 L 3.8986 7.7438 120.8309 58.2040 41.6333 178.4776 26 N 4.3504 8.0937 116.1571 56.5847 38.6141 176.8135 27 G 3.5814 7.8425 106.9494 47.8187 0.0000 175.8908 28 I 2.3120 7.4423 122.2025 63.5277 36.7933 178.2762 29 N 4.4293 7.9393 119.1665 56.1892 38.3655 176.7026 30 N 4.7623 7.1832 117.4502 53.5771 38.3671 178.7910 31 Y 4.8122 6.9757 118.0981 58.7457 38.8060 176.7945 32 K 4.3237 8.4756 122.2892 55.9128 34.3241 178.0857 33 N 4.3237 8.7371 118.6096 56.4598 37.9734 175.9713 34 P 4.2588 0.0000 0.0000 65.3428 31.3329 178.6565 35 K 3.9005 7.9290 118.0984 59.4117 32.1755 178.5642 36 L 4.1709 8.5454 121.0560 58.2874 41.7395 179.0237 37 T 3.9214 7.7084 115.2797 66.7533 68.5466 176.5001 38 R 4.1011 7.7752 119.0625 59.2646 29.9205 178.7327 39 M 4.1730 7.9612 118.2930 58.4384 32.0632 177.4229 40 L 4.5219 7.6224 115.9602 55.6927 41.9756 178.2683 41 T 4.1928 7.6243 110.5846 62.4852 69.4565 175.0798 42 F 3.8318 7.6013 124.6589 57.8448 39.9136 174.0303 43 K 4.8096 7.5093 126.5961 54.6134 34.5383 175.4134 44 F 4.8766 9.1080 121.9336 55.7923 42.9716 173.9034 45 Y 4.9016 8.6954 119.0193 57.7525 39.0230 175.0342 46 M 5.0800 8.8165 121.5306 53.0614 35.5303 173.6255 47 P 4.8340 0.0000 0.0000 62.7954 32.4765 177.6932 48 K 4.1727 8.4461 125.1970 56.7877 31.8757 175.9049 49 K 4.5574 7.8069 118.8547 54.3491 34.8973 176.0699 50 A 4.7207 8.3586 128.2587 50.2420 18.7162 174.5889 51 T 4.6063 8.2932 109.6983 60.6539 71.7827 174.8748 52 E 4.8433 8.2185 120.0105 53.7130 33.2046 176.6694 53 L 4.3139 8.3936 119.9756 57.7856 41.6836 179.6335 54 K 4.1186 7.8273 117.6036 59.1460 32.3134 177.7496 55 H 4.5500 7.8054 116.4323 56.6126 28.8333 176.5197 56 L 3.8116 7.8760 121.6420 56.4367 41.5492 178.5882 57 Q 4.0514 7.7622 119.5951 59.2721 28.6763 177.5401 58 C 4.5144 7.8815 116.8684 59.8100 35.1164 175.4344 59 L 3.8646 7.3966 121.5968 57.7797 41.5512 178.2468 60 E 3.8973 8.0756 119.3083 59.5505 29.3620 178.8133 61 E 4.1965 8.1727 116.8486 58.5698 29.7837 178.0995 62 E 4.7038 7.9819 116.8197 56.4257 29.8903 177.7376 63 L 4.1745 7.8738 121.7637 57.4181 41.7624 179.4360 64 K 4.0146 8.0394 118.0982 59.1173 32.1551 177.2626 65 P 4.4190 0.0000 0.0000 65.7109 31.3862 178.3345 66 L 4.1257 8.0886 119.0592 58.1599 41.9991 178.7168 67 E 3.9682 8.4002 119.4175 59.0304 29.6056 178.4004 68 E 3.9169 8.2351 119.2010 59.1882 29.4330 178.6519 69 A 3.4420 7.5903 120.7794 54.9860 18.1118 179.6334 70 L 3.8316 7.7631 116.8439 57.6217 41.4384 179.4156 71 N 4.3750 7.7937 116.0981 56.0582 38.5536 176.9029 72 L 4.1991 7.7669 118.1020 56.0441 41.9421 177.3510 73 A 4.4222 7.1593 121.8624 52.2705 20.0929 177.3885 74 Q 4.1565 7.5138 116.9648 54.9546 29.1553 182.0089 *81 R 4.2318 8.2120 114.6786 59.4927 31.7600 170.7055 82 P 4.4686 0.0000 0.0000 64.5764 30.9436 179.0376 83 R 3.8997 7.9474 117.4584 59.5502 30.1821 178.0540 84 D 4.4387 8.0190 118.0402 56.6015 41.0108 178.4663 85 L 3.9226 7.6566 121.1931 58.4093 42.1521 179.1993 86 I 3.7708 7.7725 119.6938 64.1947 36.5950 178.4000 87 S 4.0969 7.8048 113.6732 61.5052 62.2381 176.0305 88 N 4.4092 8.0399 118.7499 56.2351 38.2378 177.5731 89 I 3.8573 7.8064 121.4347 64.0468 37.1473 177.7946 90 N 4.2452 8.4996 118.4965 56.7697 38.8571 177.0970 91 V 3.6002 7.5269 119.1526 65.9051 31.5635 178.1024 92 I 3.6793 7.3799 118.1468 64.3501 36.9431 178.4905 93 V 3.5346 7.8298 118.9845 66.1629 31.1470 178.0641 94 L 3.9847 7.6572 117.2116 57.8032 41.5681 179.1413 95 E 4.1394 8.1687 118.3700 59.3104 29.2283 179.3082 96 L 4.0371 8.1510 118.8045 57.5495 41.7952 179.3665 97 K 4.2654 8.2841 117.6407 56.8002 32.9704 176.8197 98 G 3.8614 6.9816 112.5025 45.7468 0.0000 173.9910 *100 E 4.2127 8.2706 113.7243 56.2272 31.1231 177.3365 101 T 4.7016 7.6465 116.3037 62.1310 71.9403 174.3744 102 T 4.5831 8.5049 122.1528 61.6495 70.5674 173.6780 103 F 4.6491 8.4911 128.4434 56.9751 41.9713 173.2390 104 M 3.9310 8.0317 128.6174 54.5853 31.4851 175.6406 105 C 4.0885 8.1479 127.3454 56.2542 39.9703 172.2523 106 E 4.5735 8.4724 125.2370 55.1060 31.3466 174.9626 107 Y 5.0139 8.3145 120.8233 56.3710 40.3012 175.1734 108 A 4.4232 8.6335 124.6915 51.8212 19.5222 178.0914 109 D 4.5502 8.6900 118.9829 57.2387 41.1545 177.5179 110 E 4.4407 7.9405 117.1368 55.4765 30.6227 176.1757 111 T 4.6201 8.1991 112.8197 61.3453 70.7653 172.9890 112 A 4.9386 8.6691 122.3120 50.5070 23.4579 175.9419 113 T 4.7862 8.4902 109.8464 60.9853 70.6911 175.5721 114 I 3.7158 8.7205 120.4539 64.0257 37.8549 177.8569 115 V 3.6195 7.8082 118.9531 65.8246 31.6729 177.4484 116 E 3.9450 8.0416 119.2607 59.1368 29.3602 178.3171 117 F 4.1869 8.4151 120.6540 61.5928 39.3791 177.1772 118 L 3.8896 8.0477 118.3785 57.8351 41.4181 179.2651 119 N 4.3218 8.2150 116.4880 56.2854 38.4005 177.4747 120 R 3.7491 7.7643 119.7629 59.0938 30.1765 178.5399 121 W 4.6119 7.6108 118.6083 59.1937 29.0355 178.8587 122 I 3.8000 8.2160 120.7329 64.5505 36.5061 178.4061 123 T 3.8420 7.8950 116.5839 66.5541 68.4415 176.1248 124 F 4.0832 8.5628 122.9157 61.7322 39.3739 176.8312 125 C 4.0323 8.2890 115.8810 63.2030 27.8796 176.3627 126 Q 4.0120 8.2018 119.3297 58.8042 27.9668 178.8629 127 S 4.0232 7.9271 113.8246 61.2840 62.7164 176.0265 128 I 3.7279 7.3088 122.1586 64.3824 36.9649 178.3784 129 I 3.6753 7.6727 120.6242 64.4670 36.6214 178.3810 130 S 4.1297 7.6090 113.6467 61.2689 62.2987 175.5889 131 T 4.1997 7.5365 110.2095 62.7071 68.7820 174.4551 132 L 4.1036 7.6093 127.4039 56.3485 40.5381 175.2474 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 4 S 8.29 4.43 0.00 4.01 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 5 S 8.39 4.03 0.00 3.84 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 6 S 8.78 4.33 0.00 3.88 3.87 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 7 T 7.81 3.88 4.36 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 1.20 0.00 0.00 8 K 7.94 3.95 0.00 2.01 1.79 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.81 3.96 0.00 1.99 1.92 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 T 7.83 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.94 0.00 2.24 2.24 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 2.34 2.39 0.00 12 L 7.91 4.06 0.00 1.75 1.69 0.91 0.91 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 13 Q 7.98 4.04 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 14 L 8.11 4.04 0.00 1.92 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.28 3.97 0.00 2.30 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 0.00 2.31 2.32 0.00 16 H 8.26 4.29 0.00 3.42 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.17 3.89 0.00 1.93 1.81 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.91 3.92 0.00 1.96 1.88 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.73 3.96 0.00 1.98 1.62 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.04 4.28 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.06 0.00 1.71 1.71 0.94 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 22 Q 8.12 4.04 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 23 M 8.27 4.05 0.00 2.03 2.30 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 2.61 2.57 0.00 24 I 7.57 3.65 1.86 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 1.40 0.65 0.90 0.00 0.00 25 L 7.74 3.90 0.00 1.88 1.79 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.09 4.35 0.00 2.81 2.98 0.00 0.00 7.23 7.32 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 27 G 7.84 3.58 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 0.00 0.00 0.00 28 I 7.44 2.31 1.82 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 1.49 1.01 0.88 0.00 0.00 29 N 7.94 4.43 0.00 2.82 2.84 0.00 0.00 6.85 8.16 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 30 N 7.18 4.76 0.00 2.85 2.69 0.00 0.00 7.06 7.43 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 31 Y 6.98 4.81 0.00 3.02 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 32 K 8.48 4.32 0.00 1.81 1.75 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 33 N 8.74 4.32 0.00 2.74 2.90 0.00 0.00 6.84 8.03 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 34 P 0.00 4.26 0.00 2.14 2.09 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 35 K 7.93 3.90 0.00 1.70 1.89 0.00 1.46 0.00 0.00 1.29 0.00 0.00 2.24 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.85 1.12 7.81 36 L 8.55 4.17 0.00 1.99 1.73 1.09 0.89 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 37 T 7.71 3.92 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 1.23 0.00 0.00 38 R 7.78 4.10 0.00 1.98 1.98 0.00 3.30 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 39 M 7.96 4.17 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 40 L 7.62 4.52 0.00 1.70 1.75 0.97 1.37 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 41 T 7.62 4.19 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 1.28 0.00 0.00 42 F 7.60 3.83 0.00 3.00 2.97 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 43 K 7.51 4.81 0.00 1.23 1.39 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.20 7.81 44 F 9.11 4.88 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.90 0.00 2.50 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 0.00 0.00 0.00 46 M 8.82 5.08 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 47 P 0.00 4.83 0.00 1.87 2.02 0.00 3.54 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 1.19 2.11 0.00 48 K 8.45 4.17 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.25 7.81 49 K 7.81 4.56 0.00 1.62 1.47 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.39 7.81 50 A 8.36 4.72 0.95 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 51 T 8.29 4.61 4.29 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 1.24 0.00 0.00 52 E 8.22 4.84 0.00 1.85 1.74 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 2.25 2.28 0.00 53 L 8.39 4.31 0.00 1.69 1.75 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.83 4.12 0.00 1.69 1.91 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.13 0.72 7.81 55 H 7.81 4.55 0.00 3.49 3.46 0.00 5.63 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 56 L 7.88 3.81 0.00 1.85 1.57 1.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.76 4.05 0.00 2.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 58 C 7.88 4.51 0.00 3.48 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.40 3.86 0.00 0.27 0.90 0.23 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.08 3.90 0.00 2.04 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 2.32 2.35 0.00 61 E 8.17 4.20 0.00 2.36 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 2.46 2.44 0.00 62 E 7.98 4.70 0.00 2.50 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 2.59 3.04 0.00 63 L 7.87 4.17 0.00 1.85 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.04 4.01 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.57 7.81 65 P 0.00 4.42 0.00 2.48 2.17 0.00 3.80 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 2.40 2.21 0.00 66 L 8.09 4.13 0.00 1.98 1.95 0.90 0.98 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 67 E 8.40 3.97 0.00 2.27 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 2.32 0.00 68 E 8.24 3.92 0.00 2.32 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 0.00 2.41 2.39 0.00 69 A 7.59 3.44 0.27 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 70 L 7.76 3.83 0.00 1.73 1.73 0.93 0.48 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 71 N 7.79 4.37 0.00 2.98 2.88 0.00 0.00 7.04 7.86 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 72 L 7.77 4.20 0.00 1.77 1.73 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.16 4.42 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 74 Q 7.51 4.16 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.34 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 *81 R 8.21 4.23 0.00 1.84 1.89 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.47 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 83 R 7.95 3.90 0.00 1.92 1.93 0.00 3.48 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 84 D 8.02 4.44 0.00 2.73 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 85 L 7.66 3.92 0.00 1.72 1.81 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.77 3.77 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 0.96 0.00 0.00 87 S 7.80 4.10 0.00 4.06 4.04 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 88 N 8.04 4.41 0.00 2.99 2.87 0.00 0.00 7.04 6.75 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 89 I 7.81 3.86 1.97 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 0.56 0.86 0.00 0.00 90 N 8.50 4.25 0.00 3.02 2.94 0.00 0.00 6.80 7.50 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 91 V 7.53 3.60 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 0.98 0.00 0.00 1.02 0.00 0.00 92 I 7.38 3.68 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 0.95 0.00 0.00 93 V 7.83 3.53 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 1.00 0.00 0.00 0.82 0.00 0.00 94 L 7.66 3.98 0.00 1.74 1.72 0.92 1.08 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 95 E 8.17 4.14 0.00 2.28 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 2.35 0.00 96 L 8.15 4.04 0.00 1.84 1.77 0.96 0.86 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 97 K 8.28 4.27 0.00 1.91 2.01 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.56 7.81 98 G 6.98 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 0.00 0.00 0.00 *100 E 8.27 4.21 0.00 2.03 1.85 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 2.13 1.91 0.00 101 T 7.65 4.70 4.36 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 1.24 0.00 0.00 102 T 8.50 4.58 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 0.00 103 F 8.49 4.65 0.00 2.86 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 0.00 104 M 8.03 3.93 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 105 C 8.15 4.09 0.00 3.03 2.75 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 0.00 106 E 8.47 4.57 0.00 1.88 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 2.24 2.16 0.00 107 Y 8.31 5.01 0.00 2.80 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 0.00 108 A 8.63 4.42 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 0.00 109 D 8.69 4.55 0.00 2.72 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 0.00 110 E 7.94 4.44 0.00 1.99 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 2.30 2.26 0.00 111 T 8.20 4.62 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 0.97 0.00 0.00 112 A 8.67 4.94 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 0.00 113 T 8.49 4.79 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 0.00 114 I 8.72 3.72 2.17 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 1.56 1.20 1.02 0.00 0.00 115 V 7.81 3.62 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 1.00 0.00 0.00 0.98 0.00 0.00 116 E 8.04 3.94 0.00 2.07 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 2.33 2.50 0.00 117 F 8.42 4.19 0.00 3.15 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 0.00 118 L 8.05 3.89 0.00 1.76 1.69 0.96 0.79 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 0.00 119 N 8.21 4.32 0.00 3.01 2.84 0.00 0.00 6.67 7.49 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 0.00 120 R 7.76 3.75 0.00 1.74 1.59 0.00 2.92 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.12 0.00 121 W 7.61 4.61 0.00 3.11 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 0.00 122 I 8.22 3.80 1.96 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 1.54 0.85 0.92 0.00 0.00 123 T 7.90 3.84 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 124 F 8.56 4.08 0.00 3.04 3.43 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 0.00 125 C 8.29 4.03 0.00 3.39 3.01 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 0.00 126 Q 8.20 4.01 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 127 S 7.93 4.02 0.00 3.91 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 0.00 128 I 7.31 3.73 1.62 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.06 0.79 0.00 0.00 129 I 7.67 3.68 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 1.38 1.10 0.89 0.00 0.00 130 S 7.61 4.13 0.00 3.87 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 0.00 131 T 7.54 4.20 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 1.20 0.00 0.00 132 L 7.61 4.10 0.00 1.72 1.58 0.90 0.70 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 * Residues marked with a * may have inaccurate shift predictions.