NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3862 0.0000 0.0000 61.5692 32.7363 176.8081 6 T 3.9132 8.2513 112.6857 60.6018 69.0286 175.0013 7 I 3.9433 8.6051 123.1711 63.1091 36.7273 177.4292 8 N 4.8939 8.2746 116.3497 53.6188 37.3090 180.1971 9 Q 4.5007 8.5526 121.1905 58.2507 30.0325 183.0334 10 L 3.7940 7.9699 120.9792 57.3070 41.0535 181.8831 11 V 3.6893 7.5319 116.6454 64.4803 31.9300 182.0788 12 R 4.2051 7.5785 120.7983 56.6221 30.4770 179.1882 13 K 3.9066 8.7552 124.3570 54.1881 28.7864 174.4927 14 G 4.3391 7.7972 117.3981 46.0172 0.0000 172.2973 15 R 4.3995 8.5445 124.7242 54.9843 30.8849 173.6310 16 E 4.2695 8.8020 122.4297 54.4245 29.8181 174.3662 17 K 4.1038 8.5814 128.6694 54.1630 32.3848 174.4078 18 V 4.0115 8.2126 119.8139 60.8078 31.3687 178.1640 19 R 4.2482 8.5017 126.9582 55.4493 30.1484 173.6770 20 K 4.5250 8.4188 124.2609 53.3402 33.7026 176.9415 21 K 4.4555 8.2935 121.5737 53.6869 33.8456 178.0301 22 S 4.2034 8.8882 124.3000 58.4517 62.2669 171.7723 23 K 4.5825 8.6425 130.9042 54.1759 32.0524 175.6854 24 V 4.6226 7.3814 118.5958 60.6135 33.6848 177.0825 25 P 4.6104 0.0000 0.0000 61.3325 29.7834 179.0642 26 A 4.4621 8.0516 126.6370 51.9116 18.0348 177.0378 27 L 3.4240 7.9117 123.5031 50.9664 44.8323 177.3436 28 K 3.9347 9.3715 116.6378 56.2964 29.2246 176.5926 29 G 3.6441 8.2058 111.5429 43.4019 0.0000 173.5932 30 A 3.4610 8.7444 119.4831 52.6851 18.1760 176.7763 31 P 4.4752 0.0000 0.0000 64.2893 31.4743 173.3445 *32 F 5.2356 7.8903 117.1745 56.4569 42.4649 178.9720 33 R 4.8244 8.8412 119.6774 56.5249 34.1262 176.0251 34 R 5.0870 8.5733 119.4485 55.6327 32.5308 176.0711 35 G 4.4670 8.9438 113.0805 44.1858 0.0000 172.0856 36 V 4.8622 8.3477 122.4918 60.0723 33.1803 177.0025 37 C 4.8275 8.7156 128.2488 58.8699 28.1006 170.1400 38 T 4.5493 8.8226 113.4671 63.3028 70.7324 176.0253 39 V 4.3556 7.7319 120.9400 59.5070 34.9534 178.1480 40 V 4.6221 8.2723 128.6598 60.1204 29.8306 173.8959 41 R 4.3449 7.7944 129.7663 57.4334 32.8305 176.8113 42 T 4.9311 8.3593 110.7152 62.9117 70.4835 170.8951 43 V 3.9816 8.3212 129.7164 61.6590 33.6656 175.3471 44 T 4.7804 8.2509 117.5446 59.9535 70.7916 175.1677 45 P 5.1593 0.0000 0.0000 62.9099 29.3356 176.0028 46 K 4.4400 8.7090 122.8734 55.9371 33.7345 174.8669 47 K 3.8507 8.4597 115.6079 60.9755 32.2180 172.7493 48 P 4.3996 0.0000 0.0000 65.4517 31.3981 179.3048 49 N 4.8488 7.7553 116.9798 53.4428 39.7902 176.2618 50 S 4.6352 7.8053 107.6711 59.5968 66.0542 172.5554 51 A 4.4184 7.8127 123.7075 52.6085 21.3667 176.6433 52 L 4.9221 8.2653 120.0965 54.1779 44.4812 173.8245 53 R 4.6406 8.7265 126.0531 54.2829 32.7858 173.7876 54 K 4.1062 8.8433 130.5412 55.8747 32.7456 173.3303 55 V 4.9592 7.7402 121.4333 60.1710 36.7735 171.6427 56 A 4.5442 8.9423 119.7899 52.5686 23.1415 177.2466 57 K 4.3272 8.4857 129.2274 56.7845 33.4365 174.2137 58 V 4.4920 8.6377 122.8770 61.0276 35.7860 176.1938 59 R 4.4148 8.8993 130.6892 56.2699 29.4295 173.4098 60 L 4.4953 9.4068 131.1834 54.8771 41.7689 176.4344 61 T 3.8883 8.9684 119.7626 65.4732 68.1668 176.4915 62 S 4.1801 8.1892 117.1556 60.2038 62.4846 175.8900 63 G 3.6664 7.8472 109.9081 46.3137 0.0000 174.4066 *64 Y 4.2190 8.0152 124.1393 57.9258 38.5241 180.8827 65 E 4.9925 8.9219 123.6491 55.3176 30.1057 175.4157 66 V 4.5509 8.3368 127.6825 59.8044 35.1360 174.8577 67 T 4.7090 8.4063 115.8777 61.3574 69.8534 174.5632 68 A 4.9363 8.3276 124.1339 51.7630 22.9435 176.2133 *69 Y 4.4236 8.9330 124.7632 57.8171 38.8177 173.9403 70 I 4.6426 8.0911 123.8985 58.5814 36.6405 175.0970 71 P 4.3252 0.0000 0.0000 61.7968 31.3824 175.2877 72 G 4.1169 8.6644 102.8803 47.6870 0.0000 174.4291 73 E 4.1860 8.5895 114.1885 56.1668 30.1550 178.3005 74 G 4.3333 7.2618 110.3755 47.3318 0.0000 172.6706 *75 H 4.8993 8.6454 121.2590 53.6618 32.6600 171.8306 76 N 5.0004 8.6299 117.1046 53.0301 37.3491 176.1078 77 L 4.8724 7.6965 122.1425 53.4660 44.2682 178.9751 78 Q 4.7318 8.2328 122.8845 54.3776 30.8538 175.2557 79 E 4.5634 9.0002 115.7269 59.6158 29.7821 174.0566 *80 H 4.9892 7.9110 115.2786 57.0058 32.1352 179.2988 81 S 4.3276 8.3796 119.8542 60.8296 63.7553 179.1677 82 V 4.6103 8.4510 124.3467 60.8809 33.5226 175.6637 83 V 4.7993 8.8663 125.5295 59.6522 37.0004 172.1678 84 L 5.2624 8.5472 123.4877 54.8608 43.6790 176.4842 85 I 4.6172 8.6444 126.5633 60.7509 37.6257 171.6447 86 R 4.1997 10.0230 127.6005 55.6651 29.4489 177.0712 87 G 4.4840 9.4688 109.9921 45.2390 0.0000 170.8610 88 G 3.6508 7.1818 115.4679 44.7266 0.0000 173.7352 89 R 4.3890 8.1992 126.6421 55.8139 30.8688 173.7231 90 V 4.3550 8.1369 118.9865 60.1934 33.2973 177.5580 91 K 4.4451 8.6222 124.7408 55.4335 32.0353 177.5979 92 D 4.9868 8.0367 118.9342 54.1152 40.7791 181.3904 93 L 4.7593 7.5981 123.4775 53.4573 42.4640 177.3861 94 P 4.5396 0.0000 0.0000 62.6691 31.5366 173.5519 95 G 4.2020 9.2580 112.1743 45.7035 0.0000 175.0952 96 V 4.2362 6.9169 117.3199 60.6562 32.9284 179.5609 97 R 4.8550 8.3237 120.8653 58.1841 33.3714 174.6671 *98 Y 4.7881 8.0414 121.4209 57.6715 41.6703 178.8836 *99 H 5.2465 8.8494 120.6714 54.3905 31.9639 174.5132 100 I 4.8124 7.8989 121.0517 60.2611 36.7870 177.8943 101 V 4.0892 9.1424 129.8785 60.7340 32.6745 173.2441 102 R 4.5941 8.4581 119.8057 55.5946 32.2452 176.9652 103 G 4.0596 8.9609 107.0859 47.5024 0.0000 174.9998 104 V 4.1101 7.7188 118.9756 60.0397 34.4005 179.4912 *105 Y 3.5202 8.3154 129.1703 55.7236 35.2957 167.4370 106 D 4.3093 7.6527 113.7260 56.9728 40.3593 172.6174 107 A 4.4299 8.7701 122.3778 51.7577 19.0099 176.0501 108 A 4.9637 8.2788 125.6228 50.2986 21.3155 176.5585 109 G 4.2437 8.5074 112.7360 45.2334 0.0000 174.7410 110 V 3.6837 8.3630 122.9745 60.9575 32.4380 175.8745 111 K 4.1483 8.6129 127.9390 55.5062 32.2304 177.1626 112 D 4.6668 8.8731 119.7725 54.5526 38.8164 175.9381 113 R 4.1543 7.5286 117.2864 58.4372 29.7199 183.1242 114 K 4.7052 8.4280 117.7240 56.1785 34.8900 177.8711 115 K 4.4432 8.1346 120.8267 57.8583 33.8537 182.4991 116 S 3.7949 7.8862 115.4221 57.6329 62.0450 177.7659 117 R 3.9695 8.0221 118.6957 57.2071 28.8611 181.3428 118 S 4.1235 8.8020 116.9937 61.8889 62.9471 178.4292 119 K 4.1803 7.9285 124.0790 56.0558 31.9468 178.8219 *120 Y 3.4217 8.3353 122.0556 59.9062 34.0093 168.4327 121 G 3.8261 7.3556 109.6547 50.0630 0.0000 175.9799 122 T 4.7071 8.2413 120.3365 59.4807 70.4872 170.9147 123 K 3.9081 8.5298 129.8584 54.2137 31.8453 176.1423 124 K 4.1210 8.6697 128.3602 53.6560 32.1174 170.9625 125 P 4.7226 0.0000 0.0000 63.6119 32.2423 173.0169 126 K 4.1964 8.6754 116.9214 56.1602 32.7810 172.3266 127 E 3.4982 9.1286 109.0505 57.6930 25.9867 180.6362 128 A 3.7293 8.7240 124.3244 50.8618 17.6435 177.3501 129 A 3.7239 7.7831 118.8096 53.3087 16.0529 176.5717 130 K 4.4963 7.4806 121.8784 53.4517 36.2645 177.1353 131 T 4.1694 8.2801 107.2140 62.2991 68.8604 170.2135 132 A 4.0674 8.5768 119.9977 55.2944 18.2251 177.6635 133 A 4.4359 7.6942 114.8530 52.5375 22.9073 176.3391 134 K 4.4835 9.2329 130.5377 55.3737 37.7318 174.6736 135 K 4.2783 9.4549 120.0665 55.9146 31.5854 177.0377 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 5 P 0.00 4.39 0.00 2.11 1.90 0.00 3.72 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 1.84 1.59 0.00 6 T 8.25 3.91 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 1.21 0.00 0.00 7 I 8.61 3.94 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 1.27 0.54 0.91 0.00 0.00 8 N 8.27 4.89 0.00 2.74 2.72 0.00 0.00 6.42 7.46 0.00 0.00 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 Q 8.55 4.50 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 10 L 7.97 3.79 0.00 1.56 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.53 3.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 12 R 7.58 4.21 0.00 1.66 1.75 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 13 K 8.76 3.91 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.99 7.81 14 G 7.80 4.34 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 0.00 15 R 8.54 4.40 0.00 1.83 1.73 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 16 E 8.80 4.27 0.00 1.98 1.80 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 2.22 1.87 0.00 17 K 8.58 4.10 0.00 1.77 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.01 7.81 18 V 8.21 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 19 R 8.50 4.25 0.00 1.83 1.74 0.00 3.22 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 20 K 8.42 4.52 0.00 1.76 1.61 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 0.98 7.81 21 K 8.29 4.46 0.00 1.71 1.59 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.96 7.81 22 S 8.89 4.20 0.00 3.62 3.72 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 23 K 8.64 4.58 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 0.99 7.81 24 V 7.38 4.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.61 0.00 2.08 1.95 0.00 3.69 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 1.94 1.59 0.00 26 A 8.05 4.46 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.91 3.42 0.00 1.71 1.48 0.92 0.88 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 28 K 9.37 3.93 0.00 1.84 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 0.99 7.81 29 G 8.21 3.64 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 0.00 0.00 0.00 30 A 8.74 3.46 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.10 1.97 0.00 3.69 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 1.92 1.58 0.00 *32 F 7.89 5.24 0.00 2.00 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 0.00 0.00 0.00 33 R 8.84 4.82 0.00 1.46 1.76 0.00 3.17 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 34 R 8.57 5.09 0.00 1.45 1.81 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 35 G 8.94 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 0.00 0.00 0.00 0.00 36 V 8.35 4.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 37 C 8.72 4.83 0.00 2.48 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 38 T 8.82 4.55 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 1.21 0.00 0.00 39 V 7.73 4.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 40 V 8.27 4.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 41 R 7.79 4.34 0.00 1.50 1.88 0.00 3.20 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 42 T 8.36 4.93 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 1.21 0.00 0.00 43 V 8.32 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 44 T 8.25 4.78 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 1.21 0.00 0.00 45 P 0.00 5.16 0.00 2.08 0.99 0.00 3.63 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 46 K 8.71 4.44 0.00 1.72 1.59 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.00 7.81 47 K 8.46 3.85 0.00 1.76 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.06 7.81 48 P 0.00 4.40 0.00 2.08 1.98 0.00 3.70 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 1.94 1.58 0.00 49 N 7.76 4.85 0.00 2.73 2.68 0.00 0.00 6.39 7.64 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 50 S 7.81 4.64 0.00 3.56 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 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 52 L 8.27 4.92 0.00 1.39 1.40 0.92 0.64 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 53 R 8.73 4.64 0.00 1.55 1.69 0.00 3.25 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 54 K 8.84 4.11 0.00 1.44 1.74 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.03 7.81 55 V 7.74 4.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 56 A 8.94 4.54 1.20 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 0.00 0.00 0.00 57 K 8.49 4.33 0.00 1.43 1.72 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.29 7.81 58 V 8.64 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.93 0.00 0.00 59 R 8.90 4.41 0.00 1.54 1.90 0.00 3.24 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 60 L 9.41 4.50 0.00 1.28 1.57 0.92 0.75 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 61 T 8.97 3.89 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 1.21 0.00 0.00 62 S 8.19 4.18 0.00 3.62 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 63 G 7.85 3.67 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 0.00 0.00 0.00 *64 Y 8.02 4.22 0.00 2.02 2.18 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 65 E 8.92 4.99 0.00 1.72 1.78 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 2.14 1.85 0.00 66 V 8.34 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 67 T 8.41 4.71 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 1.21 0.00 0.00 68 A 8.33 4.94 1.22 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 *69 Y 8.93 4.42 0.00 2.03 2.18 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 70 I 8.09 4.64 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 1.09 1.23 0.91 0.00 0.00 71 P 0.00 4.33 0.00 2.08 1.90 0.00 3.72 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 1.94 1.60 0.00 72 G 8.66 4.12 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 0.00 73 E 8.59 4.19 0.00 2.00 1.87 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 2.23 1.87 0.00 74 G 7.26 4.33 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 0.00 *75 H 8.65 4.90 0.00 2.87 2.77 0.00 7.17 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.63 5.00 0.00 2.71 2.66 0.00 0.00 6.44 7.79 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 77 L 7.70 4.87 0.00 1.63 1.45 0.92 0.73 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 78 Q 8.23 4.73 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.21 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 79 E 9.00 4.56 0.00 1.98 1.86 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 2.23 1.87 0.00 *80 H 7.91 4.99 0.00 2.63 2.90 0.00 7.18 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.38 4.33 0.00 3.41 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 82 V 8.45 4.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 83 V 8.87 4.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 84 L 8.55 5.26 0.00 1.30 1.54 0.92 0.77 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 85 I 8.64 4.62 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 1.09 0.60 0.91 0.00 0.00 86 R 10.02 4.20 0.00 1.54 1.56 0.00 3.39 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 87 G 9.47 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 88 G 7.18 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 0.00 0.00 0.00 89 R 8.20 4.39 0.00 1.84 1.72 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 90 V 8.14 4.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 91 K 8.62 4.45 0.00 1.76 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 0.99 7.81 92 D 8.04 4.99 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.60 4.76 0.00 1.50 1.54 0.92 0.93 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 94 P 0.00 4.54 0.00 2.08 1.86 0.00 3.67 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 1.94 1.59 0.00 95 G 9.26 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 0.00 0.00 0.00 0.00 96 V 6.92 4.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 97 R 8.32 4.85 0.00 1.44 1.84 0.00 3.16 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *98 Y 8.04 4.79 0.00 1.93 2.11 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 *99 H 8.85 5.25 0.00 2.57 2.93 0.00 7.12 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.90 4.81 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 1.09 1.19 0.91 0.00 0.00 101 V 9.14 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 102 R 8.46 4.59 0.00 1.70 1.79 0.00 3.31 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 103 G 8.96 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 0.00 104 V 7.72 4.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 *105 Y 8.32 3.52 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.31 0.00 2.80 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 0.00 107 A 8.77 4.43 1.38 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 0.00 108 A 8.28 4.96 1.22 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 0.00 109 G 8.51 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 0.00 0.00 0.00 0.00 110 V 8.36 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 111 K 8.61 4.15 0.00 1.67 1.72 0.00 1.88 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 112 D 8.87 4.67 0.00 2.86 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 0.00 113 R 7.53 4.15 0.00 1.84 1.78 0.00 3.22 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 114 K 8.43 4.71 0.00 1.71 1.63 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.00 7.81 115 K 8.13 4.44 0.00 1.71 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.96 7.81 116 S 7.89 3.79 0.00 3.62 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 0.00 117 R 8.02 3.97 0.00 1.89 1.84 0.00 3.25 0.00 0.00 3.37 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 118 S 8.80 4.12 0.00 3.62 3.85 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 0.00 119 K 7.93 4.18 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *120 Y 8.34 3.42 0.00 2.46 2.48 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 0.00 121 G 7.36 3.83 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 0.00 0.00 0.00 122 T 8.24 4.71 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 1.21 0.00 0.00 123 K 8.53 3.91 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 124 K 8.67 4.12 0.00 1.77 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.02 7.81 125 P 0.00 4.72 0.00 2.08 1.90 0.00 3.70 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 1.93 1.58 0.00 126 K 8.68 4.20 0.00 1.76 1.74 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 0.98 7.81 127 E 9.13 3.50 0.00 1.98 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 2.23 1.85 0.00 128 A 8.72 3.73 1.38 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 0.00 129 A 7.78 3.72 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.48 4.50 0.00 1.72 1.56 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.98 7.81 131 T 8.28 4.17 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 1.21 0.00 0.00 132 A 8.58 4.07 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 0.00 133 A 7.69 4.44 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 0.00 134 K 9.23 4.48 0.00 1.74 1.14 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.00 7.81 135 K 9.45 4.28 0.00 1.91 1.66 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.