NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3840 0.0000 0.0000 61.9370 32.3228 176.0213 3 K 4.0012 8.6139 123.5393 55.1652 32.6298 175.4188 4 K 3.9641 9.6379 126.8301 57.1604 33.9729 175.5858 5 V 4.7397 8.2633 125.2313 61.2765 33.2087 174.7000 6 L 4.6122 8.5390 128.4388 53.7862 44.1496 175.8803 7 T 4.7528 7.4862 109.5778 60.5514 71.4150 173.4373 8 G 4.0395 8.2991 112.9538 45.5380 0.0000 171.1337 9 V 5.0052 8.3619 113.1647 59.3064 35.4814 175.5319 10 V 4.2275 8.1769 124.8974 63.0775 32.0319 176.4967 11 V 4.5093 8.8610 120.2479 61.1458 32.8809 175.1213 12 S 4.7841 7.5530 114.7780 56.6375 66.3755 172.8458 13 D 5.0664 8.1604 122.2571 53.2271 40.3500 177.5639 14 K 4.0855 8.3225 121.1330 59.7571 32.2435 177.2522 15 M 4.3773 7.7822 117.4458 54.8756 33.1415 175.0952 16 Q 4.3344 8.4569 118.6968 55.8995 29.9334 176.6484 17 K 4.6125 9.0207 119.5129 56.7732 29.9522 174.5830 18 T 5.2120 7.5592 112.8158 62.0788 72.6814 173.8820 19 V 4.6322 8.4070 117.2511 59.9246 36.3148 174.8519 20 T 4.6804 8.2573 120.2394 62.7006 69.7425 173.8130 21 V 4.6596 8.5518 127.5788 61.1087 33.7333 174.0498 22 L 4.9490 8.9962 130.5434 53.5175 44.0148 175.0610 23 V 4.5977 8.8547 125.9608 61.4456 34.6892 175.3051 24 E 4.9665 8.7879 126.8504 56.0071 31.7594 175.1620 25 R 4.7635 7.4068 116.1068 56.8642 31.2152 173.2692 26 Q 5.0910 8.6789 120.3088 54.5205 32.0988 174.5576 27 F 4.9784 8.1359 115.0885 55.2703 41.7614 171.4291 28 P 4.9368 0.0000 0.0000 62.4727 32.0971 175.8817 29 H 4.4100 9.4752 126.0684 55.6126 30.1773 174.3226 30 P 4.4236 0.0000 0.0000 65.0716 31.0594 176.5614 31 L 4.3926 8.1267 118.1593 55.1365 43.8471 176.0470 32 Y 4.6537 8.0181 113.2042 57.0296 39.3578 175.7444 33 G 4.3813 8.6010 111.6767 45.3629 0.0000 174.2223 34 K 3.7967 7.8143 119.4015 56.3719 33.3370 176.2368 35 V 4.5042 8.4711 120.7438 60.8680 31.5037 175.5510 36 I 4.2361 8.2609 120.0333 59.2759 40.3422 174.6671 37 K 4.8365 7.7374 123.6370 53.9488 34.3751 174.8166 38 R 4.6557 7.6306 119.6341 55.8707 32.8683 172.8636 39 S 5.0619 8.8754 118.6674 56.5667 66.5399 172.9261 40 K 4.5815 9.0907 121.6991 54.7084 35.8059 174.7535 41 K 4.9924 8.4257 125.3653 55.0100 33.9825 175.2077 42 Y 4.6544 8.9985 122.2671 56.1314 41.6460 175.1902 43 L 4.8581 8.5842 122.4587 53.5872 42.6950 175.7565 44 A 5.4969 8.4918 125.9541 50.9598 20.8761 175.1843 45 H 4.9492 8.6575 119.3390 55.0558 32.3196 173.8139 46 D 4.5585 8.9515 125.1705 52.2138 42.7998 173.8215 47 P 4.2485 0.0000 0.0000 65.3235 31.6437 177.5556 48 E 4.3227 8.1294 116.8763 60.5465 30.4620 177.4438 49 E 3.8151 7.1750 114.7385 58.0568 26.1295 176.6134 50 K 4.3779 8.1217 116.4637 56.4266 33.5143 175.7471 51 Y 4.5218 8.2281 117.5330 56.4020 40.0599 175.7077 52 K 4.4913 8.4062 124.6472 54.9212 35.2551 174.9559 53 L 4.1497 8.2718 120.8788 56.1870 42.7676 177.0276 54 G 3.8881 9.1567 115.0310 46.3276 0.0000 172.1724 55 D 5.1869 8.0025 118.6508 51.9015 44.3335 175.7922 56 V 4.0690 8.6601 124.7782 62.9576 32.2164 174.6239 57 V 4.7581 8.7924 124.8166 60.3200 35.6390 173.9102 58 E 4.8882 8.2565 120.7895 55.8871 33.8261 174.7341 59 I 4.7775 8.7479 125.7809 59.6952 39.7870 174.5700 60 I 5.1969 8.4280 125.7889 58.7052 41.1971 174.1622 61 E 3.0830 8.8618 129.9572 57.2015 30.0686 175.9149 62 S 4.5325 7.5739 120.3334 57.1726 67.8765 173.6669 63 R 3.9064 8.3357 121.1048 55.2606 30.3218 173.7318 64 P 4.1530 0.0000 0.0000 63.4995 31.4040 175.9915 65 I 3.9972 8.1505 124.5242 62.7573 37.6057 175.6849 66 S 4.5008 7.3629 111.8549 57.2140 65.6849 175.6440 67 K 3.7778 8.6465 121.6435 57.9123 32.3640 176.5825 68 R 4.1994 8.7948 127.6700 57.5799 29.1230 177.4044 69 K 4.6555 7.3587 116.4521 56.0044 32.6530 177.7019 70 R 4.8069 8.6886 118.5334 55.8703 35.3915 174.3870 71 F 5.7253 8.4019 117.7566 54.7616 42.6574 174.4537 72 R 4.9207 8.4290 120.6526 54.2878 33.2076 175.7554 73 V 3.5971 8.0280 122.1914 63.0124 31.1140 175.7721 74 L 4.2364 9.3116 131.9627 56.7661 41.6714 176.8399 75 R 4.6405 7.4340 112.3280 55.3470 32.6442 172.2149 76 L 4.1617 8.6392 122.2649 54.9215 42.4591 175.3193 77 V 4.0299 9.1119 128.9199 63.1162 31.0563 174.9478 78 E 4.8101 8.0401 116.1532 54.5138 33.3176 174.8465 79 S 4.7765 8.8409 116.5432 57.8715 63.9953 171.8688 80 G 3.7803 9.8742 117.7625 46.2818 0.0000 174.5105 81 R 4.9836 7.7045 130.2352 53.5124 31.5128 177.2864 82 M 4.3690 8.3484 119.3677 58.2322 31.6752 177.7756 83 D 4.4182 8.1167 119.0286 56.0501 39.5048 178.3017 84 L 4.1560 8.3267 120.7948 57.2838 41.9471 179.1126 85 V 3.7275 7.7960 117.6765 65.9885 31.2914 177.9083 86 E 3.9413 8.3738 118.3305 59.4001 29.1766 179.0358 87 K 3.7117 7.4409 115.9866 60.6919 32.4448 177.6279 88 Y 4.2623 8.7535 120.1919 58.2668 38.4876 177.9087 89 L 3.5428 8.6551 119.3952 57.7361 42.3529 179.8472 90 I 3.6135 8.5314 121.0398 64.2519 36.8627 178.3575 91 R 3.7944 8.0172 118.2322 58.2868 29.6277 177.6225 92 R 3.2333 7.1168 117.5208 58.1616 30.5367 177.6987 93 Q 3.7000 7.5335 119.5858 58.9816 28.9486 177.5722 94 N 4.1919 7.9127 117.0655 57.5590 38.6775 177.6379 95 Y 4.3928 6.8548 117.1462 61.1691 38.0972 178.6268 96 E 4.0509 7.9148 118.5246 58.9570 29.6307 177.8468 97 S 4.8467 8.6321 113.1918 58.3002 63.4223 174.5690 98 L 4.7064 7.7827 119.3812 55.2536 43.3316 177.5119 99 S 4.5475 7.7620 113.0814 58.3741 65.4701 174.1495 100 K 4.4609 8.1347 115.8543 56.8360 33.8280 176.6381 *101 R 4.1415 7.7470 120.3906 56.3731 30.0213 176.9987 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 2 P 0.00 4.38 0.00 2.19 2.15 0.00 3.74 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 1.88 1.99 0.00 3 K 8.61 4.00 0.00 1.72 1.75 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.47 7.81 4 K 9.64 3.96 0.00 2.03 1.89 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 5 V 8.26 4.74 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 0.92 0.00 0.00 0.98 0.00 0.00 6 L 8.54 4.61 0.00 1.31 1.32 -0.17 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.49 4.75 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 1.26 0.00 0.00 8 G 8.30 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 0.00 0.00 0.00 9 V 8.36 5.01 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 0.75 0.00 0.00 0.92 0.00 0.00 10 V 8.18 4.23 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 1.01 0.00 0.00 1.04 0.00 0.00 11 V 8.86 4.51 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 0.54 0.00 0.00 0.72 0.00 0.00 12 S 7.55 4.78 0.00 3.88 3.65 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 D 8.16 5.07 0.00 2.81 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 14 K 8.32 4.09 0.00 1.80 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 M 7.78 4.38 0.00 2.03 2.05 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 2.63 2.58 0.00 16 Q 8.46 4.33 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.28 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 17 K 9.02 4.61 0.00 2.05 2.01 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.44 7.81 18 T 7.56 5.21 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 1.31 0.00 0.00 19 V 8.41 4.63 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 0.94 0.00 0.00 0.90 0.00 0.00 20 T 8.26 4.68 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 21 V 8.55 4.66 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 0.94 0.00 0.00 0.87 0.00 0.00 22 L 9.00 4.95 0.00 1.51 1.46 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.85 4.60 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 0.98 0.00 0.00 0.95 0.00 0.00 24 E 8.79 4.97 0.00 2.01 1.93 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 2.28 2.25 0.00 25 R 7.41 4.76 0.00 2.00 2.09 0.00 3.14 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 26 Q 8.68 5.09 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 27 F 8.14 4.98 0.00 3.13 3.12 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 28 P 0.00 4.94 0.00 2.05 2.09 0.00 3.86 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 2.09 2.14 0.00 29 H 9.48 4.41 0.00 3.33 3.39 0.00 5.61 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 30 P 0.00 4.42 0.00 2.18 2.18 0.00 3.42 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 1.87 1.90 0.00 31 L 8.13 4.39 0.00 1.38 1.36 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.02 4.65 0.00 2.87 2.87 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 33 G 8.60 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 0.00 0.00 0.00 0.00 34 K 7.81 3.80 0.00 1.86 1.76 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 35 V 8.47 4.50 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 0.77 0.00 0.00 0.92 0.00 0.00 36 I 8.26 4.24 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.04 0.90 0.00 0.00 37 K 7.74 4.84 0.00 1.72 1.71 0.00 1.66 0.00 0.00 2.52 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.21 7.81 38 R 7.63 4.66 0.00 2.06 1.90 0.00 3.42 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 39 S 8.88 5.06 0.00 3.94 3.80 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 40 K 9.09 4.58 0.00 1.74 1.64 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.04 7.81 41 K 8.43 4.99 0.00 1.56 1.62 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.36 7.81 42 Y 9.00 4.65 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.86 0.00 1.66 1.68 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.49 5.50 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 45 H 8.66 4.95 0.00 3.27 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.95 4.56 0.00 2.76 2.53 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 47 P 0.00 4.25 0.00 2.22 2.15 0.00 3.77 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 48 E 8.13 4.32 0.00 1.94 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 2.26 2.39 0.00 49 E 7.17 3.82 0.00 2.05 2.30 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 2.32 2.28 0.00 50 K 8.12 4.38 0.00 1.66 1.96 0.00 1.28 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.00 0.48 7.81 51 Y 8.23 4.52 0.00 3.11 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 52 K 8.41 4.49 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.36 7.81 53 L 8.27 4.15 0.00 1.66 1.64 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.16 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 55 D 8.00 5.19 0.00 2.73 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 56 V 8.66 4.07 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 1.02 0.00 0.00 0.97 0.00 0.00 57 V 8.79 4.76 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 0.86 0.00 0.00 0.81 0.00 0.00 58 E 8.26 4.89 0.00 1.92 1.75 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 2.19 2.26 0.00 59 I 8.75 4.78 1.58 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 0.96 1.06 0.53 0.00 0.00 60 I 8.43 5.20 1.89 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 1.10 1.63 0.97 0.00 0.00 61 E 8.86 3.08 0.00 2.01 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 2.11 1.89 0.00 62 S 7.57 4.53 0.00 3.83 3.65 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 R 8.34 3.91 0.00 1.72 1.78 0.00 3.40 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.15 0.00 2.05 2.02 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 65 I 8.15 4.00 1.82 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 1.39 0.69 0.70 0.00 0.00 66 S 7.36 4.50 0.00 3.99 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 67 K 8.65 3.78 0.00 1.74 1.78 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.79 4.20 0.00 2.03 2.08 0.00 3.26 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 69 K 7.36 4.66 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.40 7.81 70 R 8.69 4.81 0.00 1.91 1.67 0.00 3.13 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 71 F 8.40 5.73 0.00 2.86 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 72 R 8.43 4.92 0.00 1.76 1.83 0.00 3.16 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 73 V 8.03 3.60 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 -0.44 0.00 0.00 0.66 0.00 0.00 74 L 9.31 4.24 0.00 1.69 1.71 0.93 1.11 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 75 R 7.43 4.64 0.00 1.93 2.00 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 76 L 8.64 4.16 0.00 2.00 1.75 1.08 0.99 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 77 V 9.11 4.03 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 0.82 0.00 0.00 1.00 0.00 0.00 78 E 8.04 4.81 0.00 2.04 2.00 0.00 0.00 0.00 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 79 S 8.84 4.78 0.00 3.86 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 80 G 9.87 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 0.00 0.00 0.00 81 R 7.70 4.98 0.00 1.81 1.96 0.00 3.60 0.00 0.00 3.65 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 82 M 8.35 4.37 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 83 D 8.12 4.42 0.00 2.87 2.94 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 84 L 8.33 4.16 0.00 1.77 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.80 3.73 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 1.17 0.00 0.00 1.00 0.00 0.00 86 E 8.37 3.94 0.00 2.05 1.98 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 2.49 2.50 0.00 87 K 7.44 3.71 0.00 2.00 1.93 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.66 7.81 88 Y 8.75 4.26 0.00 3.04 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 89 L 8.66 3.54 0.00 1.91 1.63 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.53 3.61 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.15 0.84 0.00 0.00 91 R 8.02 3.79 0.00 1.79 1.83 0.00 3.25 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 92 R 7.12 3.23 0.00 1.32 1.66 0.00 3.00 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 93 Q 7.53 3.70 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 94 N 7.91 4.19 0.00 2.57 2.81 0.00 0.00 7.06 7.40 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 95 Y 6.85 4.39 0.00 2.96 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 96 E 7.91 4.05 0.00 2.12 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 0.00 2.37 2.31 0.00 97 S 8.63 4.85 0.00 3.92 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 98 L 7.78 4.71 0.00 1.67 1.71 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.76 4.55 0.00 3.98 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 0.00 100 K 8.13 4.46 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *101 R 7.75 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.