NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.8408 8.0544 114.0614 61.9586 32.6316 171.1210 8 D 4.1890 8.9456 131.9021 52.5355 39.7680 170.8604 9 P 4.4612 0.0000 0.0000 65.0223 32.5256 176.9818 10 R 4.5781 7.8854 115.9271 56.2299 30.5561 175.8766 11 A 4.8229 7.7198 119.0305 49.4874 21.8724 177.0008 12 K 3.9332 8.6505 121.1481 56.1885 32.6506 176.4565 13 W 4.5273 8.9852 135.0000 58.1871 30.8692 175.4091 14 Q 4.1159 7.5780 121.9181 53.2408 28.9845 172.9935 15 P 3.9874 0.0000 0.0000 62.3764 32.4591 175.5799 16 Q 4.6634 8.4995 117.1041 54.8529 32.0267 174.0125 17 D 5.3856 8.4266 115.5676 53.5836 41.3466 175.1778 18 N 5.0230 10.0466 113.6948 52.3044 39.4646 174.0919 19 D 4.4680 8.2143 117.6321 53.0871 42.6156 175.9320 20 I 2.5934 7.5314 114.1046 60.5014 36.7829 174.4610 21 Q 4.1413 7.7316 117.0343 56.6635 29.3921 175.7747 22 A 4.6189 7.6050 120.8544 51.1358 20.2049 178.5446 23 C 4.8021 8.7486 116.5645 58.7697 39.9935 174.4735 24 D 4.5150 8.1129 118.8720 52.9670 39.5012 175.2529 25 Y 4.6988 7.9381 121.5208 57.5343 39.7072 175.8722 26 W 4.6191 8.7274 135.0000 60.9092 30.7374 178.2864 27 R 3.2329 5.8400 114.2494 58.4170 29.6789 176.8959 28 H 5.0183 8.4362 115.8081 55.9697 28.6109 174.4615 29 C 3.3124 7.7579 115.0219 57.3388 41.4142 174.8821 30 S 4.6907 7.4741 115.8469 57.0823 62.0767 174.7202 31 I 3.7089 7.3903 113.1131 61.2547 39.8322 175.0867 32 A 4.7482 8.8144 124.8387 51.9752 21.1425 174.3036 33 G 4.5633 7.3589 114.3799 46.2506 0.0000 172.9721 34 N 5.5123 8.5448 122.2188 51.0910 42.1897 173.2218 35 I 4.2860 7.9677 121.9898 61.0771 38.0292 177.0911 36 C 4.3404 8.4197 122.6174 59.9273 35.1924 175.8091 37 D 4.3556 8.0574 119.0527 56.9552 40.6263 177.9881 38 C 4.6665 7.6771 114.4377 57.7391 40.4358 173.8997 39 S 4.5593 7.5989 113.9231 57.8469 63.2505 174.4695 40 A 3.9395 8.6500 121.8678 52.5962 16.5905 180.3757 41 G 3.9969 7.9602 110.2944 45.4335 0.0000 172.4071 42 S 4.9633 8.6164 115.6381 56.2741 66.5806 174.7359 43 L 3.9932 8.5425 121.3621 57.9432 41.6577 177.9613 44 T 4.6187 7.7282 104.1836 60.9022 70.3046 173.3283 45 S 4.7307 7.6845 117.3530 57.0811 66.4535 172.9313 46 C 4.7596 8.4409 120.3975 55.5689 41.0213 172.1058 47 P 4.6379 0.0000 0.0000 61.3337 31.4103 174.7564 48 P 4.1962 0.0000 0.0000 64.1295 31.5589 177.7389 49 G 3.9519 8.6091 107.0110 46.1369 0.0000 173.2278 50 T 4.3526 6.9675 113.3156 60.3873 69.3470 173.4937 51 L 4.7510 8.8346 125.9765 52.8332 44.4293 175.8675 52 V 4.2888 8.3538 123.6712 62.3476 32.3288 175.6576 53 A 4.7073 8.5317 129.8287 51.5350 19.2757 177.0716 54 S 4.4987 8.7370 114.6126 60.3683 64.1364 176.5045 55 G 4.0092 8.2918 106.8605 46.0770 0.0000 173.2644 56 S 3.9793 7.1398 114.6932 57.7942 65.9267 175.1135 *58 V 4.4529 7.7802 113.3216 61.8976 32.9777 175.3842 59 G 4.2248 8.1792 107.5444 45.4986 0.0000 172.3527 60 S 5.0888 8.8792 120.2420 57.3924 62.2605 173.0962 61 C 5.1146 9.1752 124.5787 55.5892 42.3184 172.1699 62 Y 4.8364 9.0308 124.5914 56.9468 39.7200 173.8329 63 N 3.3649 7.8002 126.1817 51.1905 39.5508 174.1532 64 P 4.0801 0.0000 0.0000 65.0748 31.1987 175.2914 65 P 4.1616 0.0000 0.0000 63.6147 31.8152 175.3530 66 D 4.4835 7.4359 122.5088 51.9125 40.7109 176.2946 67 P 4.7921 0.0000 0.0000 61.3839 30.4620 175.1889 68 N 5.1064 7.2915 116.5113 51.5588 41.4931 175.7794 69 K 4.9559 8.5575 119.3312 56.7236 33.5083 175.8992 70 Y 4.8213 9.3932 119.7016 56.4077 42.9735 174.9259 71 I 4.6796 8.5827 123.5329 60.9488 38.4266 175.0154 72 T 4.4233 8.8325 125.4156 62.4936 69.9278 174.3549 73 A 4.1344 8.1345 129.2188 50.5337 19.2597 176.2487 74 Y 4.8327 8.0627 118.5372 58.3297 37.4096 175.0232 75 R 4.5475 8.3511 123.2263 55.1411 32.4208 175.4373 76 D 5.3350 8.4315 122.5996 53.7816 42.8107 174.5943 77 C 5.2707 8.8047 119.0155 55.7956 40.8982 172.4849 78 C 5.2024 10.0548 119.6670 53.9441 44.7448 174.7902 79 G 4.1135 9.9171 105.6287 45.7977 0.0000 172.2820 80 Y 4.8301 7.3229 115.1889 56.1737 42.1199 173.8599 81 N 4.8195 8.4553 119.2382 52.0625 40.3274 174.8242 82 V 3.7214 8.3065 115.1866 61.6573 32.0704 177.0419 83 S 4.0988 8.0484 118.3039 59.6399 62.8861 175.8362 84 G 4.0592 7.7303 106.5259 45.7343 0.0000 173.3889 85 R 4.5143 7.8232 125.0028 56.4993 28.3299 179.9763 86 C 4.7180 9.0448 125.8708 56.8440 39.0107 169.8287 87 A 4.4782 8.1516 123.3230 52.2481 18.8082 177.4038 88 C 4.9991 9.7950 119.7620 55.4584 45.5115 173.5556 89 L 4.9681 8.4293 123.0788 53.9896 43.9894 174.7890 90 N 5.1415 9.2702 124.1784 51.1259 43.0192 174.6930 91 T 4.4801 7.7133 108.7532 61.3376 70.2974 172.9770 92 E 3.8043 8.2674 123.1187 57.8216 29.6625 177.0084 93 G 3.9175 8.7499 114.2833 46.1649 0.0000 173.5862 94 E 4.6296 7.8957 119.2834 56.5426 29.6407 174.0576 95 L 3.4536 7.8916 124.6732 52.7701 41.4585 172.4412 96 P 4.3414 0.0000 0.0000 61.8289 31.8874 177.5462 97 V 3.6151 8.2796 118.6759 64.8040 31.3770 177.1463 98 Y 4.6152 6.9107 119.9765 56.6571 36.3880 174.5122 99 N 4.3542 10.3384 119.6629 53.5634 39.0959 174.2436 100 K 3.9641 8.7951 113.9029 58.6689 32.8144 174.9301 101 D 4.7428 7.7581 116.9291 53.9029 41.7663 175.3108 102 A 4.5718 7.9944 123.6921 51.9782 18.3026 176.9658 103 N 4.8004 9.0970 120.1663 53.3098 37.8052 175.8928 104 D 4.3867 7.7588 118.8521 56.1081 41.5477 177.0162 105 I 3.3783 7.1875 120.4384 60.7951 37.3237 175.8888 106 I 3.8215 7.7133 119.0336 59.5155 36.4044 175.9683 107 W 4.7675 8.4636 127.3073 56.7603 27.4027 177.1011 108 C 5.2548 7.6902 116.8623 56.1036 42.7544 175.1222 109 F 4.4188 7.8743 120.1745 60.1686 37.1586 171.8844 110 G 3.9183 8.9145 110.9126 42.6007 0.0000 171.1492 111 G 4.4809 7.3503 115.5699 46.7642 0.0000 173.8694 112 E 4.4016 9.8625 123.4508 55.6457 30.4266 176.1948 113 D 5.4272 8.2266 129.8902 54.6630 42.0339 176.1300 114 G 3.7379 7.8769 109.8669 46.7990 0.0000 173.3370 115 M 4.3328 8.3818 124.2749 54.6476 33.6209 176.0890 116 T 4.3640 7.5161 115.4108 61.0751 69.2342 172.8006 117 Y 4.3802 8.7068 130.5334 58.1526 39.1945 174.3526 118 H 4.6027 8.2350 125.2640 57.4516 32.8424 173.7092 119 C 4.6649 6.9246 115.0354 55.1852 46.1236 172.8008 120 S 5.2187 8.6582 118.1448 56.9095 66.0361 173.3935 121 I 4.5099 9.2201 125.6542 59.3260 39.9357 175.0629 122 S 5.1983 8.1127 120.5166 57.0395 62.3183 172.9159 123 P 4.4878 0.0000 0.0000 62.5199 33.2253 177.2342 124 V 4.2853 8.2250 122.7009 61.4577 31.6803 175.8740 125 S 4.5365 8.7708 119.9557 57.9314 64.6668 173.6781 126 G 3.9038 7.1268 107.7174 45.8403 0.0000 173.1490 127 A 4.2595 8.6576 121.5005 52.1872 19.2569 176.4377 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 7 V 8.05 3.84 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 0.94 0.00 0.00 8 D 8.95 4.19 0.00 2.90 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 9 P 0.00 4.46 0.00 2.12 2.12 0.00 3.99 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 2.04 2.00 0.00 10 R 7.89 4.58 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 11 A 7.72 4.82 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 12 K 8.65 3.93 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.59 7.81 13 W 8.99 4.53 0.00 3.38 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 14 Q 7.58 4.12 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 15 P 0.00 3.99 0.00 2.29 2.24 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 16 Q 8.50 4.66 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 17 D 8.43 5.39 0.00 2.60 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 18 N 10.05 5.02 0.00 2.76 2.89 0.00 0.00 6.65 5.12 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 19 D 8.21 4.47 0.00 2.68 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 20 I 7.53 2.59 1.32 0.00 0.00 0.72 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 0.38 nan 0.00 0.00 21 Q 7.73 4.14 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 22 A 7.60 4.62 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 23 C 8.75 4.80 0.00 3.13 3.33 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 24 D 8.11 4.51 0.00 2.69 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 25 Y 7.94 4.70 0.00 3.19 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 26 W 8.73 4.62 0.00 3.26 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 27 R 5.84 3.23 0.00 1.48 1.52 0.00 2.97 0.00 0.00 2.86 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.44 5.02 0.00 3.52 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.76 3.31 0.00 2.52 3.34 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 30 S 7.47 4.69 0.00 3.66 3.78 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 31 I 7.39 3.71 1.71 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 1.38 0.95 0.64 0.00 0.00 32 A 8.81 4.75 1.07 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 0.00 0.00 0.00 0.00 0.00 33 G 7.36 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.54 5.51 0.00 2.69 2.65 0.00 0.00 6.88 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 35 I 7.97 4.29 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.19 0.96 0.00 0.00 36 C 8.42 4.34 0.00 3.22 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 37 D 8.06 4.36 0.00 2.75 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 38 C 7.68 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 39 S 7.60 4.56 0.00 3.97 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 40 A 8.65 3.94 1.43 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 0.00 0.00 41 G 7.96 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 42 S 8.62 4.96 0.00 3.90 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 43 L 8.54 3.99 0.00 1.60 1.68 0.89 0.68 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 44 T 7.73 4.62 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 1.17 0.00 0.00 45 S 7.68 4.73 0.00 3.83 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 46 C 8.44 4.76 0.00 2.89 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 47 P 0.00 4.64 0.00 1.82 2.04 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 48 P 0.00 4.20 0.00 2.19 2.15 0.00 3.72 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 2.04 1.94 0.00 49 G 8.61 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 50 T 6.97 4.35 3.75 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 1.09 0.00 0.00 51 L 8.83 4.75 0.00 1.62 1.53 0.97 1.01 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 52 V 8.35 4.29 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 0.75 0.00 0.00 0.90 0.00 0.00 53 A 8.53 4.71 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 54 S 8.74 4.50 0.00 4.08 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 55 G 8.29 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 56 S 7.14 3.98 0.00 3.87 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 *58 V 7.78 4.45 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 0.95 0.00 0.00 1.02 0.00 0.00 59 G 8.18 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 0.00 0.00 0.00 0.00 60 S 8.88 5.09 0.00 3.94 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 61 C 9.18 5.11 0.00 3.23 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 4.84 0.00 3.05 3.07 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 0.00 0.00 0.00 63 N 7.80 3.36 0.00 1.87 2.36 0.00 0.00 6.57 7.73 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 64 P 0.00 4.08 0.00 2.14 2.16 0.00 3.38 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 1.91 2.09 0.00 65 P 0.00 4.16 0.00 1.89 1.92 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 66 D 7.44 4.48 0.00 2.69 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 67 P 0.00 4.79 0.00 2.30 2.19 0.00 3.24 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 68 N 7.29 5.11 0.00 2.69 2.77 0.00 0.00 7.08 6.38 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 69 K 8.56 4.96 0.00 1.72 1.99 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.81 1.67 7.81 70 Y 9.39 4.82 0.00 3.16 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 71 I 8.58 4.68 1.91 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 1.26 1.00 0.90 0.00 0.00 72 T 8.83 4.42 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 0.23 0.00 0.00 73 A 8.13 4.13 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 74 Y 8.06 4.83 0.00 2.95 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 75 R 8.35 4.55 0.00 1.77 1.86 0.00 3.28 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.62 0.00 76 D 8.43 5.33 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 5.27 0.00 2.74 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 78 C 10.05 5.20 0.00 2.82 3.07 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 0.00 0.00 0.00 79 G 9.92 4.11 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 0.00 0.00 0.00 80 Y 7.32 4.83 0.00 2.48 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 81 N 8.46 4.82 0.00 2.68 2.73 0.00 0.00 6.96 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 82 V 8.31 3.72 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 1.08 0.00 0.00 0.99 0.00 0.00 83 S 8.05 4.10 0.00 3.93 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 84 G 7.73 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 0.00 0.00 0.00 85 R 7.82 4.51 0.00 1.81 1.13 0.00 3.17 0.00 0.00 3.52 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 86 C 9.04 4.72 0.00 2.88 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 87 A 8.15 4.48 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 88 C 9.79 5.00 0.00 2.77 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 89 L 8.43 4.97 0.00 1.54 1.47 0.86 0.87 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 90 N 9.27 5.14 0.00 2.21 2.10 0.00 0.00 6.12 6.84 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 91 T 7.71 4.48 4.16 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 1.12 0.00 0.00 92 E 8.27 3.80 0.00 1.77 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 1.77 1.86 0.00 93 G 8.75 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 94 E 7.90 4.63 0.00 2.22 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 2.23 2.23 0.00 95 L 7.89 3.45 0.00 1.75 1.58 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.34 0.00 1.48 1.82 0.00 3.33 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 97 V 8.28 3.62 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 0.90 0.00 0.00 0.90 0.00 0.00 98 Y 6.91 4.62 0.00 3.16 3.10 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 99 N 10.34 4.35 0.00 3.01 2.99 0.00 0.00 7.05 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 0.00 100 K 8.80 3.96 0.00 1.94 2.00 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 D 7.76 4.74 0.00 2.71 2.71 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 0.00 102 A 7.99 4.57 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 0.00 103 N 9.10 4.80 0.00 2.76 2.91 0.00 0.00 7.05 8.39 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 0.00 104 D 7.76 4.39 0.00 2.56 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 0.00 105 I 7.19 3.38 0.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.18 -0.20 0.00 0.00 106 I 7.71 3.82 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.21 0.75 0.00 0.00 107 W 8.46 4.77 0.00 3.46 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 0.00 108 C 7.69 5.25 0.00 2.68 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 0.00 109 F 7.87 4.42 0.00 3.16 3.07 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 0.00 0.00 0.00 110 G 8.91 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 0.00 111 G 7.35 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.86 4.40 0.00 1.97 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 2.25 2.27 0.00 113 D 8.23 5.43 0.00 2.79 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 0.00 114 G 7.88 3.74 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 0.00 0.00 0.00 115 M 8.38 4.33 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 116 T 7.52 4.36 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 1.34 0.00 0.00 117 Y 8.71 4.38 0.00 3.14 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 0.00 118 H 8.24 4.60 0.00 3.17 3.18 0.00 5.91 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 0.00 119 C 6.92 4.66 0.00 2.94 2.71 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 0.00 120 S 8.66 5.22 0.00 4.09 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 0.00 121 I 9.22 4.51 1.98 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 1.34 1.39 0.93 0.00 0.00 122 S 8.11 5.20 0.00 3.85 3.77 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 0.00 123 P 0.00 4.49 0.00 2.04 2.11 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 124 V 8.23 4.29 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 0.70 0.00 0.00 0.97 0.00 0.00 125 S 8.77 4.54 0.00 3.93 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 0.00 126 G 7.13 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 0.00 127 A 8.66 4.26 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 * Residues marked with a * may have inaccurate shift predictions.