NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -10 G 3.8838 8.3544 109.7351 45.1378 0.0000 173.3096 -9 S 4.0637 8.3526 118.7159 57.5437 62.8719 172.9482 -8 D 4.6276 9.4683 127.7368 55.7128 41.7490 176.5313 -7 K 4.1458 7.9710 118.0742 56.6422 32.6466 176.4598 -6 I 4.2389 7.2435 120.1324 59.7524 37.9160 174.6497 -5 H 4.9111 8.4786 122.9743 53.9148 30.6060 174.0756 -4 H 4.3543 8.7719 122.0683 55.8829 29.2328 174.9133 -3 H 4.4808 8.5277 119.9301 54.4897 29.8542 173.4539 -2 H 4.7679 8.4716 122.5913 54.5267 29.2606 173.7613 -1 H 4.9919 8.7375 120.2496 55.2349 30.9008 173.7187 0 H 5.2055 8.1802 118.0490 53.9723 32.6491 172.5266 1 V 4.4370 7.9285 123.4863 59.4745 33.7334 175.3895 2 E 4.0939 8.4881 122.2489 56.1251 30.1833 178.3634 3 K 4.0195 8.6812 123.3586 58.7475 32.5954 178.2502 4 N 4.6396 7.9918 115.1541 53.9542 38.4227 177.2047 5 L 4.1421 7.9489 119.9542 57.4724 41.7700 178.6431 6 L 3.8111 7.7970 119.7880 58.1473 42.0707 178.5108 7 R 3.8095 7.6650 118.0993 59.8958 29.7810 178.5742 8 S 4.0347 8.0180 114.3261 61.4981 62.7572 176.6005 9 A 3.2881 7.8808 123.8490 54.6116 17.9300 179.7786 10 L 3.9174 7.8947 117.7307 57.9084 41.7246 179.5609 11 K 3.9236 7.7796 117.9897 59.6297 31.8163 179.4749 12 I 3.6853 7.3897 119.8828 64.3331 37.2462 177.8725 13 F 4.0117 8.5209 121.9224 61.5871 38.6250 177.1835 14 E 3.9950 8.7569 118.2090 59.4161 29.2251 179.2511 15 K 4.0638 7.9038 117.7655 58.2970 32.1563 177.2942 16 K 4.2812 7.2731 116.4731 55.4464 33.1861 176.0398 17 D 4.0803 7.4336 116.7007 55.1433 39.6559 173.3649 18 L 4.1601 6.8921 120.2742 54.3975 42.6717 177.5576 19 S 4.8143 8.7792 114.2601 58.6487 65.5024 173.5187 20 L 5.2078 7.7913 121.7933 54.0169 45.6641 173.7833 21 L 5.4974 9.3783 126.5654 53.7466 46.2356 174.0628 22 A 5.3725 9.3575 127.6742 50.3922 21.9199 174.5796 23 Y 5.2506 9.4177 123.4594 55.8434 42.1954 175.6539 24 S 4.4507 9.0417 119.2227 57.2977 64.1970 173.2879 25 G 3.3452 5.7696 113.6780 45.1443 0.0000 174.1400 26 R 4.4755 6.9479 115.2999 53.3179 32.4648 174.3670 27 S 4.7330 8.6164 113.8546 58.3261 62.6952 173.4650 28 I 4.5444 8.7594 121.1865 61.1966 39.5263 175.6873 29 F 4.9341 8.0484 124.9721 56.9336 42.8851 172.6397 30 E 5.1036 7.8814 124.3744 54.7258 32.9970 174.8010 31 S 4.6410 8.9862 117.7948 56.4937 66.4921 174.0771 32 K 4.6315 8.3184 120.5190 55.1964 33.2321 175.6704 33 D 4.5976 7.6320 118.5749 54.8840 41.3858 175.4135 34 S 4.7747 8.3011 115.8601 57.9686 65.6858 176.6061 35 G 3.8625 8.4139 109.0961 46.8647 0.0000 174.8823 36 L 4.0416 8.2571 118.3141 55.3803 41.9322 178.1822 37 K 3.3573 8.0947 120.7132 58.9877 31.8691 176.2466 38 P 4.3094 0.0000 0.0000 65.9826 31.2815 178.2686 39 V 3.3039 7.5532 117.8922 65.4173 31.2437 177.9621 40 V 2.9084 7.1512 117.6779 65.7013 31.0481 177.5006 41 E 3.8594 7.9141 117.3458 59.5023 29.7031 178.7506 42 L 3.2817 8.0489 120.8317 58.0224 41.7684 178.6912 43 F 4.0332 8.2135 119.3140 61.4371 39.3744 177.0208 44 K 4.1193 8.2713 116.8532 58.6162 31.8716 178.6166 45 R 3.9136 7.3879 118.2177 56.5574 30.6292 176.3643 46 F 4.9092 7.0860 115.1357 55.2870 42.7556 174.2708 47 D 4.3143 8.9355 124.5544 56.9848 41.2932 175.3733 48 N 4.9872 7.6034 113.0117 52.0805 40.2556 173.1690 49 L 4.6761 8.0124 115.8894 54.1625 42.9380 176.6882 50 E 4.1730 8.1189 118.4505 57.9382 29.7239 178.0587 51 G 3.9271 9.9373 112.3071 45.5549 0.0000 172.9328 52 S 5.1162 7.7997 115.0525 56.3704 67.1460 172.8713 53 L 5.2650 9.0884 121.5097 54.0625 43.7191 175.2945 54 V 4.9575 8.6058 120.1863 61.3178 33.9865 174.1439 55 I 4.8556 8.8036 128.5948 59.6313 39.6777 174.1762 56 D 5.0720 8.6586 125.1389 52.3353 44.8131 175.6889 57 K 4.1779 9.0007 125.1957 58.3797 33.2648 176.1064 49 V 4.4561 7.8824 113.2894 61.2625 33.4380 175.3882 50 G 3.7830 8.0289 107.0506 46.4382 0.0000 176.3587 51 K 4.2871 9.8973 123.9071 56.6549 31.4132 174.6328 52 A 4.9662 7.7297 123.1525 50.5704 22.4460 176.0713 53 A 5.2450 9.1684 123.5097 51.4625 20.4191 175.4945 54 A 5.1575 8.8158 124.7863 51.6178 20.1865 175.6439 55 S 5.1556 9.1136 124.3948 56.8313 64.6777 172.3762 56 F 5.0520 8.6186 125.0389 55.8353 43.3131 175.1889 57 L 4.1979 8.8707 126.5957 57.2797 42.5648 177.1064 68 L 3.9977 7.7782 117.4796 57.4102 41.7541 180.7820 69 K 4.1372 7.8135 118.5392 55.7280 33.3729 176.9074 *71 K 4.1587 7.9565 112.6875 55.2878 33.1730 174.2331 72 P 4.7863 0.0000 0.0000 62.4720 32.8267 176.7459 73 D 4.6296 8.6466 119.6181 57.6104 41.2251 176.4018 74 H 5.2314 8.0774 115.2339 54.7669 33.3734 172.5316 75 I 4.7432 8.5532 125.1609 59.7993 39.9216 173.7923 76 H 5.3386 9.1172 126.8342 54.4937 31.4131 173.0863 77 A 4.7949 8.7550 128.5494 50.1116 20.8397 177.1483 78 K 4.2010 8.8841 124.3486 58.3807 33.5484 176.8155 79 V 4.9598 7.5329 117.7570 60.9628 34.4318 174.4638 80 I 4.8352 8.5570 127.4047 59.1260 41.2030 174.6089 81 S 4.8641 8.4035 122.5829 57.3743 64.8719 174.8331 82 K 3.7737 8.9588 122.9274 59.4273 31.8996 177.3016 83 P 4.2289 0.0000 0.0000 65.5236 31.0461 178.3747 84 A 3.8384 7.3661 117.5686 55.0560 18.4087 178.9571 85 L 3.6235 7.5740 117.4349 58.2731 42.4427 179.0382 86 K 4.1998 8.1179 118.3040 59.2237 31.8976 179.0913 87 L 4.0356 7.5202 117.1505 56.0854 41.6494 178.0327 *89 N 4.8583 8.0775 116.8455 52.9343 40.4747 176.3539 90 E 3.9108 8.1392 117.6589 58.9407 28.8806 176.8815 91 Y 4.1608 8.2676 114.1472 56.7554 38.2437 175.8590 92 G 4.2683 7.8704 107.7582 46.3490 0.0000 173.7778 93 Q 4.3046 7.5558 119.9621 55.2448 30.0892 174.8922 94 S 4.7603 8.7006 119.6685 57.8454 63.6438 172.6474 95 F 5.3032 8.2315 120.7417 56.1854 40.6948 173.0425 96 S 4.8380 9.2870 113.8527 57.3811 66.7483 172.1663 97 Y 5.8705 7.7835 116.9500 56.2828 40.3693 174.1922 98 D 4.7247 8.9819 119.6830 55.9299 43.0101 176.1895 99 E 4.8633 8.5136 117.4303 54.2155 33.5003 174.1891 100 K 5.1295 8.8462 126.1588 54.5943 34.7490 174.9703 101 I 4.6227 8.4915 118.9277 58.4924 40.9013 174.1052 102 P 4.3645 0.0000 0.0000 65.5476 31.4707 176.6838 103 F 4.9080 6.9896 109.5893 55.4120 40.0460 173.8387 104 V 3.7709 8.6669 122.9412 63.2273 31.9145 175.4732 105 L 5.0251 8.2081 125.3330 52.6378 43.9809 176.7156 106 G 3.9018 9.2176 113.7521 45.6411 0.0000 175.1663 107 K 3.9655 8.8378 120.2205 57.6918 31.5985 174.4006 108 D 4.4317 8.1251 118.0342 54.6977 39.2445 177.6409 109 G 3.9114 8.2931 108.7086 45.6743 0.0000 174.2049 110 K 4.6909 7.4912 119.5801 53.8516 34.2231 180.1964 111 S 4.5056 7.8671 120.9180 58.4979 68.7996 177.4687 *113 C 4.5256 8.9807 118.1434 58.1744 33.2585 170.0648 114 P 4.1555 0.0000 0.0000 66.3933 30.6170 178.6579 115 F 4.1624 8.0959 116.8155 60.2001 38.8416 177.1113 116 E 4.0161 8.2771 118.6598 59.0696 29.3235 178.6165 117 K 3.8196 7.9548 118.7532 59.2127 32.3359 177.9292 118 L 4.0598 7.6128 119.5027 58.2532 42.0903 178.7851 119 V 4.1347 7.2801 107.5280 61.1111 31.9517 177.3434 120 L 4.2143 7.3649 121.0431 57.3054 43.1037 177.6278 121 E 4.2833 7.6843 119.7675 54.8936 28.1566 174.8920 *123 D 4.6013 8.0771 121.5424 53.3568 43.3588 176.1033 124 D 4.7721 7.6914 118.4518 52.1295 42.6524 174.7987 125 P 4.3013 0.0000 0.0000 65.7387 31.3850 178.1915 126 E 3.7834 8.0668 117.4431 59.3139 29.6475 178.5186 127 E 3.9500 8.6157 118.7370 59.3094 29.3871 179.4329 128 I 3.6061 7.8745 119.9454 64.3918 37.1583 178.1102 129 I 2.6399 7.3179 120.7454 64.2395 36.7286 178.0734 130 R 3.8311 7.7064 118.9227 59.7018 29.6918 178.3704 131 I 3.7242 7.5794 116.7494 63.9934 38.2317 177.6665 132 V 4.0257 8.2571 119.6271 66.1376 31.4533 178.0390 133 L 4.2816 8.3994 119.0974 57.5405 41.1387 178.7099 134 S 4.6760 7.6295 111.6632 58.8191 63.0393 174.6855 135 K 4.4159 8.2828 122.4315 56.8631 33.9717 176.3369 136 F 4.4420 8.0663 121.2162 57.4887 38.9840 175.4281 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 -10 G 8.35 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 0.00 0.00 0.00 -9 S 8.35 4.06 0.00 3.94 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 -8 D 9.47 4.63 0.00 2.71 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 -7 K 7.97 4.15 0.00 1.73 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 -6 I 7.24 4.24 1.84 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 1.29 0.55 0.94 0.00 0.00 -5 H 8.48 4.91 0.00 3.12 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.77 4.35 0.00 3.10 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.53 4.48 0.00 3.07 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.47 4.77 0.00 3.10 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.74 4.99 0.00 3.14 3.30 0.00 5.64 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 0 H 8.18 5.21 0.00 3.05 3.13 0.00 5.89 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 1 V 7.93 4.44 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 0.60 0.00 0.00 0.93 0.00 0.00 2 E 8.49 4.09 0.00 2.15 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 2.40 1.90 0.00 3 K 8.68 4.02 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.00 7.81 4 N 7.99 4.64 0.00 2.86 3.05 0.00 0.00 6.31 6.67 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 5 L 7.95 4.14 0.00 2.02 1.86 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.80 3.81 0.00 1.66 1.72 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.66 3.81 0.00 2.13 2.00 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 8 S 8.02 4.03 0.00 4.05 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 9 A 7.88 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.89 3.92 0.00 1.80 1.70 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.78 3.92 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 12 I 7.39 3.69 1.96 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 1.43 0.76 0.96 0.00 0.00 13 F 8.52 4.01 0.00 3.20 3.20 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 14 E 8.76 3.99 0.00 2.15 2.01 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 2.44 2.55 0.00 15 K 7.90 4.06 0.00 1.94 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 K 7.27 4.28 0.00 1.72 1.68 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.30 7.81 17 D 7.43 4.08 0.00 2.65 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 18 L 6.89 4.16 0.00 0.56 1.18 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.78 4.81 0.00 3.88 4.07 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 20 L 7.79 5.21 0.00 1.92 1.73 1.04 0.50 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 21 L 9.38 5.50 0.00 2.13 1.77 1.13 1.05 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 22 A 9.36 5.37 1.28 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 0.00 0.00 0.00 23 Y 9.42 5.25 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.04 4.45 0.00 3.78 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 25 G 5.77 3.35 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 0.00 26 R 6.95 4.48 0.00 1.90 1.90 0.00 2.94 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 27 S 8.62 4.73 0.00 4.08 3.94 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 28 I 8.76 4.54 1.90 0.00 0.00 0.44 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 0.74 0.84 0.00 0.00 29 F 8.05 4.93 0.00 3.41 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 30 E 7.88 5.10 0.00 1.67 1.67 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 2.23 2.29 0.00 31 S 8.99 4.64 0.00 3.84 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 0.00 32 K 8.32 4.63 0.00 1.78 1.73 0.00 1.17 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.33 7.81 33 D 7.63 4.60 0.00 2.77 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 34 S 8.30 4.77 0.00 3.87 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 35 G 8.41 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 36 L 8.26 4.04 0.00 1.34 1.22 0.40 0.63 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 37 K 8.09 3.36 0.00 2.01 1.84 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.11 7.81 38 P 0.00 4.31 0.00 2.42 2.40 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 2.05 2.05 0.00 39 V 7.55 3.30 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 0.66 0.00 0.00 0.84 0.00 0.00 40 V 7.15 2.91 1.46 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 0.72 0.00 0.00 -0.09 0.00 0.00 41 E 7.91 3.86 0.00 2.23 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 2.36 2.47 0.00 42 L 8.05 3.28 0.00 0.54 1.53 0.79 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.21 4.03 0.00 3.01 3.14 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 0.00 0.00 0.00 44 K 8.27 4.12 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.58 7.81 45 R 7.39 3.91 0.00 1.73 1.14 0.00 3.35 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.44 0.00 46 F 7.09 4.91 0.00 2.96 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 47 D 8.94 4.31 0.00 2.56 2.68 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 0.00 0.00 0.00 0.00 48 N 7.60 4.99 0.00 2.78 2.71 0.00 0.00 5.79 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 49 L 8.01 4.68 0.00 1.62 1.54 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.12 4.17 0.00 1.93 1.70 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 2.43 2.34 0.00 51 G 9.94 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 0.00 0.00 0.00 52 S 7.80 5.12 0.00 3.89 3.66 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 53 L 9.09 5.26 0.00 1.88 1.81 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.61 4.96 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 1.09 0.00 0.00 0.95 0.00 0.00 55 I 8.80 4.86 1.47 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.78 -0.21 0.00 0.00 56 D 8.66 5.07 0.00 2.69 2.43 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 57 K 9.00 4.18 0.00 2.31 1.88 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.62 7.81 49 V 7.88 4.46 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 0.94 0.00 0.00 0.93 0.00 0.00 50 G 8.03 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 51 K 9.90 4.29 0.00 1.69 1.94 0.00 0.61 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.37 7.81 52 A 7.73 4.97 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 53 A 9.17 5.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 5.16 1.28 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 0.00 0.00 0.00 55 S 9.11 5.16 0.00 3.60 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 5.05 0.00 3.11 2.82 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 57 L 8.87 4.20 0.00 2.09 1.75 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.78 4.00 0.00 1.64 1.52 0.44 0.84 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 69 K 7.81 4.14 0.00 1.74 2.16 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.68 1.72 7.81 *71 K 7.96 4.16 0.00 1.82 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.66 7.81 72 P 0.00 4.79 0.00 2.21 2.06 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 73 D 8.65 4.63 0.00 2.69 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 74 H 8.08 5.23 0.00 3.12 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.55 4.74 1.93 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 1.14 0.60 0.93 0.00 0.00 76 H 9.12 5.34 0.00 3.16 3.17 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.76 4.79 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 78 K 8.88 4.20 0.00 1.88 2.05 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.34 7.81 79 V 7.53 4.96 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 0.84 0.00 0.00 0.97 0.00 0.00 80 I 8.56 4.84 1.82 0.00 0.00 0.60 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 1.59 0.42 0.00 0.00 81 S 8.40 4.86 0.00 3.97 3.97 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 82 K 8.96 3.77 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 83 P 0.00 4.23 0.00 2.20 2.10 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 84 A 7.37 3.84 1.28 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 0.00 0.00 0.00 85 L 7.57 3.62 0.00 1.45 1.79 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.12 4.20 0.00 2.18 1.86 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.52 7.81 87 L 7.52 4.04 0.00 1.90 1.72 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *89 N 8.08 4.86 0.00 3.07 3.00 0.00 0.00 6.66 7.66 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 90 E 8.14 3.91 0.00 1.99 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 0.00 1.92 2.17 0.00 91 Y 8.27 4.16 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 92 G 7.87 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 0.00 0.00 0.00 0.00 93 Q 7.56 4.30 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 94 S 8.70 4.76 0.00 4.19 4.08 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 0.00 0.00 0.00 0.00 95 F 8.23 5.30 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 96 S 9.29 4.84 0.00 3.86 3.98 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 97 Y 7.78 5.87 0.00 3.02 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 98 D 8.98 4.72 0.00 2.92 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 99 E 8.51 4.86 0.00 2.07 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 2.22 2.28 0.00 100 K 8.85 5.13 0.00 1.58 1.67 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.14 7.81 101 I 8.49 4.62 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.87 0.00 0.00 102 P 0.00 4.36 0.00 1.36 2.08 0.00 3.44 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 103 F 6.99 4.91 0.00 3.04 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 0.00 104 V 8.67 3.77 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 0.86 0.00 0.00 1.04 0.00 0.00 105 L 8.21 5.03 0.00 1.71 1.75 0.95 1.01 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 0.00 106 G 9.22 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 0.00 107 K 8.84 3.97 0.00 1.79 1.76 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.02 7.81 108 D 8.13 4.43 0.00 2.77 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 0.00 109 G 8.29 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 0.00 0.00 0.00 110 K 7.49 4.69 0.00 1.72 1.68 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.21 7.81 111 S 7.87 4.51 0.00 3.96 3.40 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 0.00 *113 C 8.98 4.53 0.00 3.22 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 0.00 114 P 0.00 4.16 0.00 2.00 2.19 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 115 F 8.10 4.16 0.00 3.18 3.18 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 0.00 116 E 8.28 4.02 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 117 K 7.95 3.82 0.00 1.69 1.88 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.34 7.81 118 L 7.61 4.06 0.00 1.72 1.95 0.89 0.82 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 0.00 119 V 7.28 4.13 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 0.89 0.00 0.00 1.07 0.00 0.00 120 L 7.36 4.21 0.00 1.79 1.79 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.68 4.28 0.00 1.97 1.88 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 2.23 2.24 0.00 *123 D 8.08 4.60 0.00 2.70 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 0.00 124 D 7.69 4.77 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.30 0.00 1.94 1.78 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 126 E 8.07 3.78 0.00 2.09 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 2.38 1.97 0.00 127 E 8.62 3.95 0.00 2.24 1.95 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 2.33 2.23 0.00 128 I 7.87 3.61 1.86 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 1.48 0.82 0.81 0.00 0.00 129 I 7.32 2.64 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.27 0.00 0.00 130 R 7.71 3.83 0.00 1.86 2.14 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 131 I 7.58 3.72 1.88 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 1.44 0.95 1.03 0.00 0.00 132 V 8.26 4.03 2.32 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 1.15 0.00 0.00 1.18 0.00 0.00 133 L 8.40 4.28 0.00 1.95 1.81 1.00 0.67 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 0.00 134 S 7.63 4.68 0.00 4.01 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 0.00 135 K 8.28 4.42 0.00 1.97 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.58 7.81 136 F 8.07 4.44 0.00 2.98 2.95 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 * Residues marked with a * may have inaccurate shift predictions.