NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.4485 8.0249 121.0571 60.7604 39.2290 174.8751 11 L 4.2709 8.3003 129.3721 52.8065 42.6157 175.7811 12 S 4.4981 8.7148 118.1732 57.8111 65.6748 174.1232 13 H 4.0960 9.0822 118.3164 59.6571 29.2275 176.8613 14 Q 4.0051 8.1593 118.8267 59.5737 28.1324 178.6067 15 S 4.0866 7.4807 115.2345 61.2830 63.0417 176.3828 16 I 3.5412 7.7908 122.6954 63.9325 36.6860 178.2339 17 K 3.7580 8.1850 120.7935 59.4622 31.7310 178.1493 18 N 4.4363 7.5925 114.8208 54.8535 38.7627 176.3633 19 L 4.1874 7.8243 120.3522 54.4029 42.0099 176.5679 20 L 3.5861 6.6492 120.4431 55.6880 41.6902 177.6976 21 G 4.0677 8.8595 112.3013 45.3409 0.0000 172.8082 22 K 4.3341 7.5584 116.6410 57.4874 34.5533 176.7715 23 V 4.1788 8.0713 117.1698 62.7733 32.4027 175.2430 24 I 4.1054 7.4322 120.7668 59.4082 38.1650 174.4010 25 L 4.9028 8.6105 126.0559 53.8640 43.8118 176.1255 26 N 4.1415 8.4120 115.1113 54.5309 35.6551 173.7678 27 Y 4.6534 7.2200 115.1718 55.7341 40.5261 174.5072 28 S 4.6435 9.1651 113.4854 56.3494 65.0333 174.1717 29 E 4.1892 9.3108 128.1925 59.5426 29.4590 179.1993 30 E 4.0905 8.1498 115.2469 58.8805 29.9875 177.2340 31 N 4.2933 8.2103 116.0466 53.5796 38.7064 174.5070 32 V 4.4046 7.5242 119.3871 62.0439 32.0007 175.1893 33 R 4.7356 8.4937 131.8171 55.4703 31.4605 176.3642 34 E 4.2419 8.9950 118.8343 60.3946 29.7433 178.8725 35 N 4.9809 7.3845 114.9966 50.6523 37.1541 173.1779 36 G 4.2640 7.4119 104.7003 47.8394 0.0000 171.8249 37 Y 5.3248 8.5894 120.4036 55.7850 42.0333 174.3516 38 D 5.0811 8.1459 127.1627 52.9619 41.3399 176.1697 39 L 4.6393 9.0439 127.3523 55.2179 43.4831 175.9502 40 R 5.0729 9.2803 124.0321 54.3449 33.6711 174.7287 41 I 4.7428 8.0925 115.0879 60.2698 39.4722 174.7236 42 C 4.4453 9.5656 124.8587 58.3768 45.0103 174.6940 43 G 4.2945 9.1304 109.3074 46.4692 0.0000 172.9019 44 D 4.6893 8.6311 118.4319 56.6783 41.9327 176.3577 45 K 5.3642 8.0825 115.4565 55.1362 36.7122 174.6243 46 Y 4.8939 8.4033 118.9370 55.4987 42.0171 173.7104 47 Y 4.9739 8.7117 116.4574 56.0785 42.2007 174.2220 48 E 4.4290 8.7434 124.0349 54.1051 31.9675 174.8377 49 L 4.5513 8.2513 128.0056 54.9858 41.6839 177.2864 50 V 4.3700 8.9914 116.6312 61.2709 34.0591 175.8236 51 Q 4.4865 7.8217 121.2298 53.7950 32.5064 174.5556 52 G 4.1153 8.8503 112.4690 46.5485 0.0000 172.3974 53 A 4.6829 8.3549 122.0006 50.5644 21.1294 177.2756 54 E 4.6547 8.8549 118.4117 54.1932 29.7352 175.5746 55 L 4.3407 8.0315 121.5512 54.0999 42.7332 175.7823 56 P 4.6127 0.0000 0.0000 63.5699 32.2366 176.9264 57 E 4.0156 8.2577 118.6548 58.3551 29.7640 176.6494 58 K 4.5522 8.3708 120.8743 54.3239 34.6063 176.3325 59 K 4.6547 8.7336 126.5192 55.5614 33.2450 176.7355 60 A 4.2724 8.4181 123.2590 52.5737 19.4974 177.1028 61 T 4.3485 8.5304 116.7317 62.7767 69.9712 174.2674 62 L 5.1569 8.5028 125.4524 52.9700 44.8640 175.6174 63 R 4.5459 8.7785 122.5297 54.4808 32.3302 174.3321 64 E 4.0639 8.7975 127.9963 55.6934 30.7057 175.4960 65 I 4.3631 7.5574 127.0134 58.8650 40.8549 174.4819 66 E 4.1542 8.7220 127.7983 56.5248 30.1675 176.6726 67 F 4.7560 9.2512 131.2692 57.9726 37.9421 175.2746 68 K 4.2001 9.0944 123.8785 56.4930 32.6764 177.4859 69 E 4.6398 8.3776 119.3501 57.1891 33.6471 176.3200 70 R 5.1618 8.0212 115.5169 54.5113 34.7302 174.5284 71 A 4.0972 9.1609 125.2411 50.6222 20.5236 176.1121 72 I 4.4513 8.3602 124.6456 60.2319 38.3048 175.4577 73 L 4.3558 9.1360 127.5257 52.9111 44.6586 175.8097 74 S 5.3116 9.5009 118.6839 56.5395 65.2698 174.0378 75 A 4.3099 8.8424 126.2439 53.8180 18.6135 177.0950 76 N 4.3216 8.9734 116.6323 54.5486 36.9010 174.0497 77 H 4.9292 7.8730 113.2491 54.3362 33.0768 172.6860 78 T 5.1111 8.1673 117.5129 62.3668 70.9501 173.2061 79 Y 5.0409 9.3094 122.6349 56.1442 42.2161 174.3070 80 L 5.1880 8.8990 123.1774 53.1368 44.1902 175.5125 81 F 5.3248 9.2358 122.3722 55.6128 42.8768 173.8709 82 E 5.1574 9.0804 123.6268 55.3125 31.0987 175.7364 83 S 4.8732 8.9686 121.7977 58.6726 63.7537 173.6662 84 C 4.5088 9.1020 122.4063 59.9558 43.0946 174.2865 85 E 4.4232 8.3286 117.9552 56.3475 30.5583 175.4021 86 E 4.7424 8.7996 124.0356 54.4497 32.6008 174.6555 87 F 5.4448 9.1108 124.6629 55.9869 42.0726 174.0519 88 N 5.3231 8.9330 119.1774 51.5225 42.9150 171.4150 *90 P 4.3139 0.0000 0.0000 62.4792 33.2140 176.7239 91 A 4.3408 8.6482 120.7868 53.5579 18.6136 178.1869 92 D 5.0833 8.0645 114.4775 52.5673 39.8173 175.2274 93 L 5.4480 7.7849 117.6790 53.4832 46.1561 175.2697 94 A 4.7951 9.1523 122.3319 50.4477 23.4690 175.0881 95 V 4.4681 8.5065 118.5276 60.8770 35.1974 174.0142 96 L 4.6624 8.6619 130.1077 53.6465 44.0258 175.0386 97 I 4.5305 8.7705 128.6884 60.6189 38.3489 175.2334 98 T 4.7195 8.6057 117.2522 59.6352 72.1955 172.7482 99 L 4.7052 8.2226 123.6113 53.5178 43.6458 176.2445 100 K 4.2838 8.5788 125.3340 56.3253 32.7455 178.6153 101 S 4.2200 8.8891 118.9739 61.5754 62.7480 176.9479 102 T 3.8814 7.8442 119.4350 66.6383 68.3100 176.3092 103 L 4.0663 7.8687 120.2200 57.4413 41.4812 179.1356 104 A 4.2409 8.0079 121.1055 55.1916 18.2754 179.4667 105 R 4.1494 8.2752 111.0509 57.6884 29.8560 176.7408 106 N 4.7960 7.8385 115.4602 53.2179 38.9300 175.0278 107 G 3.8956 8.2227 105.9516 45.9431 0.0000 173.1962 108 F 5.2433 7.9240 116.5475 55.2122 41.9935 175.0064 109 L 5.0648 8.9866 121.3882 53.3011 45.2433 175.4507 110 A 5.0090 8.3116 121.7378 50.4678 22.0067 174.4147 111 P 4.5687 0.0000 0.0000 60.9134 32.7944 174.2002 112 P 4.6820 0.0000 0.0000 63.1521 31.7648 175.3028 113 T 4.7492 8.3292 111.7841 60.1943 72.8574 172.3113 114 V 4.7543 8.0855 120.5154 61.1245 35.0039 174.3738 115 I 3.9904 8.3214 127.3199 59.6662 38.9534 175.3335 116 D 4.9591 8.2060 126.5839 53.0372 42.9429 175.8782 117 A 4.4887 7.8639 123.0005 53.3196 18.8647 178.9051 118 G 4.0670 9.0177 111.4273 45.2887 0.0000 173.3887 119 Y 4.5378 7.9729 121.5575 57.5519 39.5565 174.7737 120 K 4.5587 8.8374 125.6078 55.2035 35.5980 175.2006 121 G 4.0239 8.9095 108.7383 43.5889 0.0000 173.0628 122 K 5.0410 8.3586 118.4091 55.9750 33.1012 177.0234 123 V 4.6431 8.9782 114.4264 59.8352 35.2368 174.8189 124 N 5.4301 8.5718 119.1433 51.8597 40.7664 174.3862 125 V 4.4469 8.9759 117.6730 59.4929 34.6710 174.8047 126 A 5.1841 8.5559 125.8549 50.6381 20.5396 176.1910 127 I 4.8290 9.2236 124.1624 60.0043 40.5380 174.8153 128 T 5.2566 9.3203 123.5887 61.8465 71.0412 173.2527 129 A 4.7073 8.9668 128.6746 51.1955 19.7520 178.1601 130 V 3.5632 8.1245 122.7909 64.7256 32.2279 175.2784 131 Y 4.8693 7.4789 115.4954 55.6141 42.2873 174.8276 132 N 4.7720 8.8799 118.8490 53.9929 39.3702 174.9092 133 S 4.7838 9.1605 118.1413 58.5347 66.5843 173.2540 134 S 5.1213 8.5820 112.2451 57.6961 65.7592 173.6001 135 L 4.6843 8.4163 120.5788 52.6750 45.3253 175.6874 136 K 4.4419 8.4964 124.5887 55.4480 33.0393 176.3397 137 K 3.4454 8.5232 129.5394 57.3401 32.3826 176.8546 138 G 3.4622 8.2173 115.0031 45.7453 0.0000 173.3827 *140 A 4.2615 7.3437 118.7740 52.2680 20.4439 176.6419 141 T 4.4270 8.7957 112.1775 62.0387 71.7873 173.7953 142 H 5.3496 8.2366 117.2330 53.8848 33.1978 172.5278 143 H 5.2402 9.0746 121.1323 54.6103 32.0148 172.8832 144 L 4.7935 9.4851 127.4023 53.9298 43.3167 175.8376 145 I 4.6953 8.2201 124.9069 59.5428 39.5490 174.6354 146 F 4.8791 8.9482 126.2958 56.4987 40.4774 174.6380 147 L 4.8986 9.3384 124.3877 52.9406 44.3003 175.5290 148 K 4.9411 8.5006 122.1145 54.8992 33.3457 176.3846 149 L 4.3682 8.8193 125.5551 54.1637 42.3656 178.0200 150 D 4.1538 8.8318 122.0173 56.3500 39.4204 176.8280 151 K 4.5640 7.3733 115.9303 54.0946 36.3787 173.7212 152 P 4.3920 0.0000 0.0000 63.1654 31.6861 176.4402 153 T 4.0339 8.5498 118.6498 62.2197 67.7108 174.0710 154 E 4.1994 8.6868 126.3903 57.1599 29.9652 176.7239 155 R 4.4194 7.6900 118.6955 54.1223 30.8414 174.5450 156 L 4.4054 8.1473 124.1564 53.6508 42.7504 176.6658 157 Y 4.2755 8.4885 123.0469 58.2234 39.1383 176.7055 158 N 4.5306 7.2534 122.8967 52.5585 37.9318 175.0521 159 G 3.6021 5.3800 109.6191 45.1627 0.0000 174.8182 160 K 4.0013 8.3688 117.4404 58.9466 32.6155 176.9561 161 Y 4.8711 8.1276 116.8186 57.4780 38.6947 175.2255 162 Q 4.3837 8.0279 121.7153 58.2082 29.3420 177.0412 163 G 3.8918 8.2335 113.8370 44.9685 0.0000 173.9882 164 G 4.2773 8.0149 107.7484 46.3493 0.0000 173.9212 165 I 3.8663 7.9183 120.3723 60.7897 37.6656 175.6928 166 L 4.0325 8.7004 128.0630 57.4910 42.0831 176.5300 167 I 4.1822 7.4655 120.9491 61.5641 37.7303 173.6938 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 I 8.02 4.45 1.90 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 1.42 1.40 0.94 0.00 0.00 11 L 8.30 4.27 0.00 1.64 1.56 0.84 0.62 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 12 S 8.71 4.50 0.00 4.03 4.05 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 0.00 0.00 0.00 13 H 9.08 4.10 0.00 3.55 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.16 4.01 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 15 S 7.48 4.09 0.00 4.15 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 16 I 7.79 3.54 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.75 0.00 0.00 17 K 8.18 3.76 0.00 1.77 1.89 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.41 7.81 18 N 7.59 4.44 0.00 2.80 2.78 0.00 0.00 7.03 7.63 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 19 L 7.82 4.19 0.00 1.49 1.47 0.36 0.37 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 20 L 6.65 3.59 0.00 1.07 0.13 0.65 0.55 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 21 G 8.86 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 0.00 0.00 0.00 22 K 7.56 4.33 0.00 1.61 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.42 7.81 23 V 8.07 4.18 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 1.25 0.00 0.00 0.93 0.00 0.00 24 I 7.43 4.11 1.54 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.41 0.33 0.00 0.00 25 L 8.61 4.90 0.00 1.66 1.53 0.96 0.56 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 26 N 8.41 4.14 0.00 2.91 2.84 0.00 0.00 6.92 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 27 Y 7.22 4.65 0.00 3.13 2.89 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 28 S 9.17 4.64 0.00 3.89 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 29 E 9.31 4.19 0.00 2.17 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 0.00 2.58 2.61 0.00 30 E 8.15 4.09 0.00 2.07 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 2.29 2.31 0.00 31 N 8.21 4.29 0.00 2.72 2.10 0.00 0.00 6.43 7.15 0.00 0.00 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 V 7.52 4.40 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 0.60 0.00 0.00 1.13 0.00 0.00 33 R 8.49 4.74 0.00 1.84 1.82 0.00 3.36 0.00 0.00 3.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 34 E 9.00 4.24 0.00 1.98 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 2.33 2.38 0.00 35 N 7.38 4.98 0.00 2.82 2.88 0.00 0.00 5.83 7.00 0.00 0.00 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 G 7.41 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 0.00 0.00 0.00 0.00 37 Y 8.59 5.32 0.00 3.43 3.17 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 0.00 0.00 0.00 38 D 8.15 5.08 0.00 2.28 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 39 L 9.04 4.64 0.00 2.01 1.67 1.36 1.11 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 40 R 9.28 5.07 0.00 1.84 1.88 0.00 3.28 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 41 I 8.09 4.74 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.76 0.78 0.00 0.00 42 C 9.57 4.45 0.00 2.83 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 43 G 9.13 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 0.00 0.00 0.00 0.00 44 D 8.63 4.69 0.00 2.70 2.79 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 45 K 8.08 5.36 0.00 1.42 1.41 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 46 Y 8.40 4.89 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.71 4.97 0.00 2.77 2.77 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 48 E 8.74 4.43 0.00 2.11 1.71 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 2.02 1.65 0.00 49 L 8.25 4.55 0.00 1.52 1.51 0.90 0.68 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 50 V 8.99 4.37 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 0.71 0.00 0.00 0.96 0.00 0.00 51 Q 7.82 4.49 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 52 G 8.85 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 53 A 8.35 4.68 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 54 E 8.85 4.65 0.00 1.85 1.83 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 2.20 2.24 0.00 55 L 8.03 4.34 0.00 1.61 1.60 0.96 1.12 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 56 P 0.00 4.61 0.00 2.16 2.16 0.00 3.77 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 1.93 1.97 0.00 57 E 8.26 4.02 0.00 1.95 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 2.31 2.35 0.00 58 K 8.37 4.55 0.00 1.77 1.73 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.37 7.81 59 K 8.73 4.65 0.00 1.68 1.73 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.45 7.81 60 A 8.42 4.27 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 61 T 8.53 4.35 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 1.20 0.00 0.00 62 L 8.50 5.16 0.00 1.54 1.66 0.65 0.81 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 63 R 8.78 4.55 0.00 1.80 1.70 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 64 E 8.80 4.06 0.00 2.10 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 2.04 1.80 0.00 65 I 7.56 4.36 0.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.17 0.68 0.00 0.00 66 E 8.72 4.15 0.00 1.96 1.89 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 2.33 2.46 0.00 67 F 9.25 4.76 0.00 3.09 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 68 K 9.09 4.20 0.00 1.89 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 69 E 8.38 4.64 0.00 1.86 1.92 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 2.28 2.24 0.00 70 R 8.02 5.16 0.00 1.67 1.78 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 71 A 9.16 4.10 0.28 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 72 I 8.36 4.45 1.95 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 1.30 0.95 0.94 0.00 0.00 73 L 9.14 4.36 0.00 1.54 1.39 0.75 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.50 5.31 0.00 3.70 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 75 A 8.84 4.31 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 76 N 8.97 4.32 0.00 2.88 2.89 0.00 0.00 6.74 8.71 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 77 H 7.87 4.93 0.00 3.58 2.79 0.00 5.79 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 78 T 8.17 5.11 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 1.22 0.00 0.00 79 Y 9.31 5.04 0.00 2.90 2.49 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 0.00 0.00 0.00 0.00 80 L 8.90 5.19 0.00 1.58 1.56 0.81 0.89 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 81 F 9.24 5.32 0.00 3.02 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 82 E 9.08 5.16 0.00 2.26 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 2.48 2.44 0.00 83 S 8.97 4.87 0.00 4.10 4.03 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 84 C 9.10 4.51 0.00 3.19 3.19 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 0.00 0.00 0.00 85 E 8.33 4.42 0.00 1.92 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 2.38 2.52 0.00 86 E 8.80 4.74 0.00 1.95 1.68 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 2.19 2.34 0.00 87 F 9.11 5.44 0.00 3.30 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 88 N 8.93 5.32 0.00 2.83 2.78 0.00 0.00 7.05 7.87 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 *90 P 0.00 4.31 0.00 2.42 2.26 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 91 A 8.65 4.34 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 92 D 8.06 5.08 0.00 2.82 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 93 L 7.78 5.45 0.00 1.70 1.66 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.15 4.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 4.47 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 0.45 0.00 0.00 0.40 0.00 0.00 96 L 8.66 4.66 0.00 1.68 1.41 0.92 0.81 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 97 I 8.77 4.53 1.86 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.87 0.00 0.00 98 T 8.61 4.72 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 1.16 0.00 0.00 99 L 8.22 4.71 0.00 1.64 1.59 0.79 0.69 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 0.00 100 K 8.58 4.28 0.00 1.81 1.67 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.32 7.81 101 S 8.89 4.22 0.00 4.06 4.14 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 0.00 102 T 7.84 3.88 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 1.20 0.00 0.00 103 L 7.87 4.07 0.00 1.83 1.74 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.01 4.24 1.40 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 0.00 0.00 105 R 8.28 4.15 0.00 1.92 2.08 0.00 3.04 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 106 N 7.84 4.80 0.00 3.18 3.02 0.00 0.00 7.09 7.53 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 0.00 107 G 8.22 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 0.00 108 F 7.92 5.24 0.00 3.12 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 0.00 109 L 8.99 5.06 0.00 1.61 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.31 5.01 1.30 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 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.57 0.00 2.19 2.06 0.00 3.82 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 1.97 1.95 0.00 112 P 0.00 4.68 0.00 2.07 2.09 0.00 3.32 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 113 T 8.33 4.75 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 1.15 0.00 0.00 114 V 8.09 4.75 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 0.77 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8.98 4.64 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 0.59 0.00 0.00 1.02 0.00 0.00 124 N 8.57 5.43 0.00 2.46 2.69 0.00 0.00 6.83 7.68 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 0.00 125 V 8.98 4.45 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 0.59 0.00 0.00 1.08 0.00 0.00 126 A 8.56 5.18 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 0.00 127 I 9.22 4.83 2.28 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 1.38 0.93 1.12 0.00 0.00 128 T 9.32 5.26 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 1.32 0.00 0.00 129 A 8.97 4.71 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.12 3.56 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 0.18 0.00 0.00 0.86 0.00 0.00 131 Y 7.48 4.87 0.00 2.71 2.75 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.80 4.43 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 0.97 0.00 0.00 142 H 8.24 5.35 0.00 3.15 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 9.07 5.24 0.00 3.14 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.49 4.79 0.00 1.72 1.12 1.24 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.22 4.70 1.77 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 1.08 0.92 0.90 0.00 0.00 146 F 8.95 4.88 0.00 3.00 3.02 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 0.00 147 L 9.34 4.90 0.00 1.69 1.55 0.92 1.16 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 0.00 148 K 8.50 4.94 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 149 L 8.82 4.37 0.00 1.66 1.72 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.83 4.15 0.00 2.79 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 0.00 151 K 7.37 4.56 0.00 1.61 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 152 P 0.00 4.39 0.00 2.05 2.03 0.00 3.69 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 2.04 2.10 0.00 153 T 8.55 4.03 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 1.36 0.00 0.00 154 E 8.69 4.20 0.00 2.01 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 2.31 2.30 0.00 155 R 7.69 4.42 0.00 1.76 1.83 0.00 3.26 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 156 L 8.15 4.41 0.00 1.71 1.65 0.95 0.95 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 0.00 157 Y 8.49 4.28 0.00 3.11 3.03 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 0.00 158 N 7.25 4.53 0.00 2.69 2.70 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 5.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.37 4.00 0.00 1.62 1.76 0.00 1.31 0.00 0.00 1.27 0.00 0.00 2.54 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.97 0.22 7.81 161 Y 8.13 4.87 0.00 3.33 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 0.00 162 Q 8.03 4.38 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 163 G 8.23 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 0.00 164 G 8.01 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 0.00 0.00 0.00 0.00 165 I 7.92 3.87 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.07 1.03 0.00 0.00 166 L 8.70 4.03 0.00 1.49 1.60 0.73 -0.01 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 0.00 167 I 7.47 4.18 1.81 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 0.73 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.