NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3292 8.0327 117.3729 63.7503 70.9076 175.6860 8 Q 3.9349 8.5109 122.1848 59.0795 28.8831 177.4990 9 Q 4.1045 8.7992 122.6230 60.1811 28.6948 180.0340 10 M 4.2755 7.8839 119.1052 58.2979 32.0294 178.3894 11 A 3.9878 8.5100 121.3507 55.1645 18.5541 179.7413 12 V 3.5295 7.7886 116.6803 66.2097 31.5098 178.0352 13 S 4.1064 8.1544 112.7068 61.5861 62.2186 176.1934 14 I 3.7193 8.3052 122.6553 64.5099 36.7572 178.4510 15 I 3.8706 8.1273 120.8835 64.5870 36.9654 178.3216 16 N 4.4018 8.4363 117.3200 56.4643 38.3995 177.6824 17 S 4.1645 8.4200 116.8161 61.5153 62.8272 176.7262 18 S 4.0894 8.0535 116.0117 61.3239 62.1732 175.9899 19 F 3.3729 7.5234 123.0210 61.0844 39.0216 176.9854 20 E 3.5231 8.0554 117.9206 59.0707 29.1818 179.2183 21 A 3.9429 7.9363 120.8048 54.9094 18.4380 179.5624 22 A 3.9215 7.7335 119.4768 54.9322 18.3608 180.1766 23 V 3.2666 7.2139 116.9214 66.1333 31.5556 178.5965 24 V 3.6841 7.7426 117.6421 65.5110 31.1829 178.0079 25 A 3.8790 7.8907 120.5779 54.9632 18.3497 179.3946 26 A 3.8073 7.8431 119.1718 55.5039 18.3679 179.5949 27 T 3.1715 8.0351 112.1939 65.3127 67.4333 176.3782 28 S 4.2088 8.3098 115.6636 60.9200 63.2531 176.2706 29 A 3.9728 8.0462 125.0954 54.8532 18.0972 179.4690 30 L 4.0020 7.8358 117.4828 57.9666 41.6841 179.2415 31 E 4.0586 8.0004 119.1789 59.5299 29.4467 178.3644 32 N 4.4127 8.0806 114.9828 55.8281 38.9859 175.5126 33 M 4.5583 7.2868 117.0015 54.3714 32.5130 175.8278 34 G 3.9009 8.2257 107.1668 46.6294 0.0000 173.6415 35 I 4.4059 7.8408 122.8039 59.4634 38.7866 176.7350 36 E 4.2413 8.7252 121.5748 56.2046 30.3740 172.2520 37 Y 4.7288 7.4236 115.4410 55.5811 40.3226 173.2895 38 D 4.8621 8.3777 120.2077 52.6351 43.6589 175.7133 39 Y 4.4058 8.8877 128.0688 61.4887 38.7170 178.2021 40 Q 3.9093 8.4325 117.9033 59.3796 28.8732 178.3408 41 D 4.3508 8.8057 118.8512 57.9030 41.2769 178.5052 42 I 3.6779 8.0270 119.9441 64.3288 37.0676 178.0317 43 Y 3.6860 8.2266 120.8696 60.5760 38.6479 177.8616 44 S 4.1715 8.5746 114.4845 61.4864 62.5247 176.2549 45 R 3.9088 8.0644 120.6363 59.4931 29.8065 179.3741 46 V 3.6963 7.7104 117.6822 65.6375 31.3615 177.9657 47 K 3.9577 8.1483 119.8055 59.3120 32.0179 178.6688 48 N 4.3714 8.3087 117.0063 55.9567 38.4526 177.4120 49 K 4.0190 8.1085 121.0735 59.4075 32.3672 178.6283 50 F 3.9698 8.6165 121.2000 61.5517 39.4020 176.7125 51 D 4.4091 8.4578 118.6311 57.3260 40.5042 178.7721 52 F 4.0340 8.3468 121.0440 61.2010 39.4837 177.4026 53 V 3.5215 8.3767 120.7451 66.9290 31.3534 178.5863 54 M 3.8586 8.0122 120.4623 59.3211 31.0383 179.8251 55 D 4.2980 7.7749 118.5307 57.3858 41.3619 177.9452 56 D 4.0550 8.0529 118.4234 57.0564 41.1203 177.9456 57 S 4.1913 7.7588 113.5544 59.0902 63.4616 175.5399 58 G 3.8753 7.8919 110.2701 45.9237 0.0000 175.5835 59 V 3.5760 7.4443 118.8257 65.4800 31.7802 177.5008 60 K 4.0369 7.9508 119.7772 59.5796 32.0452 178.5958 61 N 4.3360 8.0453 116.2441 55.9904 38.3629 176.6103 62 N 4.1927 7.7784 118.2909 56.3339 39.0136 175.2311 63 P 4.2086 0.0000 0.0000 65.7122 31.6267 178.8041 64 I 3.7451 7.6971 118.3569 64.1523 37.0066 178.8576 65 G 3.5259 8.2309 106.7566 47.7961 0.0000 176.0589 66 K 3.9998 8.2011 121.1486 58.9379 32.0203 179.3893 67 A 4.0242 8.6575 121.6801 55.2008 18.3004 179.7805 68 I 3.6963 7.8483 118.3918 64.6569 37.1020 178.7929 69 T 3.8540 7.7238 116.5589 66.5258 68.2454 176.7866 70 I 3.6496 7.5893 121.1301 64.4532 36.9663 177.8970 71 D 4.3511 7.7269 118.2302 57.6597 41.0163 178.7641 72 Q 4.0332 8.0198 117.7969 59.1863 28.5977 179.1418 73 A 3.5525 7.6410 119.7162 54.7166 18.3146 179.1576 74 L 4.0752 7.5727 116.4143 56.4698 41.7638 177.0942 75 N 4.6577 7.9613 116.5856 53.1763 38.7351 174.2541 76 N 4.2645 7.9382 110.6811 53.8935 35.5472 175.1470 77 K 4.5083 7.1446 118.6273 54.6912 31.9695 176.6125 78 F 4.3557 8.5332 118.7557 57.6366 39.2902 176.5232 79 G 4.1469 7.6292 107.0759 48.2480 0.0000 175.7773 80 S 4.0681 8.0610 115.3456 60.7738 62.5005 175.8408 81 A 4.1308 8.0274 122.9981 55.2160 18.1553 179.5045 82 I 3.6973 8.7513 119.1864 64.6072 37.1857 178.6217 83 R 3.9567 8.3178 119.9127 59.3811 29.9646 178.0843 84 N 4.4884 8.8717 119.8287 57.2428 38.9819 177.8151 85 R 4.0168 8.3212 122.1668 61.6090 29.5621 180.4386 86 N 4.5793 8.3500 117.7628 55.7374 38.2922 177.2018 87 W 4.3826 8.2383 128.6991 60.8070 30.9596 177.7926 88 L 3.7345 7.8963 116.8446 57.5106 41.0846 179.0369 89 A 4.1211 7.9710 119.7651 53.2647 19.1190 177.5162 90 D 4.2870 7.7256 117.0517 54.6062 41.3876 178.4635 91 T 3.8439 8.5893 113.5353 64.3156 69.0106 175.0318 92 S 4.5978 7.7877 116.1240 58.2712 63.5831 175.5862 93 R 3.5899 7.8774 122.7883 59.1573 29.6234 176.8032 94 P 4.1124 0.0000 0.0000 65.3836 31.2861 178.4761 95 A 3.9297 7.8021 119.0262 55.0273 18.4243 179.6321 96 K 3.8868 8.0607 116.9644 59.7701 31.8818 179.7045 97 L 4.0493 7.9979 119.2083 57.6936 41.4672 179.2691 98 D 4.4278 8.2804 119.1174 57.5433 40.9150 178.7592 99 E 4.0363 8.3213 119.0381 59.2035 29.2575 179.0041 100 D 4.2675 8.1206 118.1030 57.4644 41.4173 178.4698 101 V 3.6660 8.9925 122.1679 66.6766 31.6197 178.3368 102 N 4.3967 8.6820 119.5629 57.3326 37.1873 179.4397 103 K 4.1849 7.7083 119.4081 59.4413 32.4005 179.1947 104 L 4.1461 7.7173 119.2656 57.8881 41.4050 179.8431 105 R 3.9853 8.1014 118.0820 59.2645 29.7473 178.6745 106 M 4.0937 7.7953 116.7701 58.4140 32.2632 177.8279 107 M 4.2396 7.5942 117.9672 57.4857 33.0406 177.7180 108 L 4.2810 7.4236 121.2560 54.3507 41.0819 176.7261 *112 G 3.7826 7.7012 112.6644 46.9949 0.0000 175.4518 113 I 3.3762 8.6677 119.6884 61.3173 34.5217 173.0743 114 D 4.5395 7.9277 124.1789 60.2180 39.6446 184.8472 115 Q 4.2766 8.1651 124.0289 60.6166 28.2481 181.0725 116 K 4.1183 8.1715 125.6046 60.2551 31.4145 180.6378 117 M 4.3396 8.4731 120.3279 57.9094 31.6064 178.7554 118 R 4.0468 7.8428 118.2059 59.4618 30.4120 178.5200 119 V 3.7288 7.6999 117.5603 66.0903 31.5574 178.0027 120 L 4.2231 8.0549 118.7249 58.0204 41.2820 179.3006 121 N 4.3695 9.1401 116.1575 55.7673 38.4929 176.5325 122 A 4.2783 7.6432 120.7425 53.2652 19.1584 177.5523 123 C 4.1607 7.7070 112.9687 59.7964 29.8624 173.5477 124 F 5.3457 7.9717 116.2097 55.5959 42.8252 174.4292 125 S 4.7588 8.9969 114.6511 56.5925 65.6710 172.6735 126 V 4.7573 8.6489 128.8318 62.0125 32.8707 175.2449 127 K 4.8576 9.5453 130.7822 53.3675 36.6739 171.2268 128 R 4.8490 8.1724 116.9455 56.0649 33.1684 174.4915 129 I 3.9847 8.4078 127.0945 59.9453 37.9411 173.4890 130 P 4.1978 0.0000 0.0000 64.4853 31.5641 175.9002 131 G 4.0736 8.9524 111.0076 45.3840 0.0000 174.0056 132 K 4.2332 7.6950 118.4511 55.9652 32.7435 177.0959 133 S 4.3631 8.3485 115.7783 59.2286 63.9315 174.4955 134 S 4.4723 7.6616 115.5531 57.3741 64.4150 172.0889 135 S 4.9958 8.1957 114.1240 56.6145 66.1858 173.2702 136 I 4.6250 8.8708 120.0906 59.5808 40.5301 174.7308 137 I 4.8555 8.6189 129.7427 60.1523 39.0847 175.7241 138 K 4.8888 9.1026 130.5583 53.9480 35.2588 172.3667 139 C 4.9322 8.3191 116.7371 57.5939 32.3851 172.9932 140 T 4.4216 8.4969 110.4762 61.1352 70.1765 176.2310 141 K 3.9538 8.8587 130.4264 60.7780 31.4782 180.4289 142 L 4.2058 7.8496 122.1339 59.7045 40.8201 181.7406 143 M 4.2581 8.2454 121.9136 59.0362 32.2685 178.7927 144 R 4.1523 8.7616 123.6601 62.6071 29.3295 180.8870 145 D 4.8017 8.5373 123.3839 58.6533 39.8216 181.1601 146 K 4.4517 7.9734 126.3810 60.3472 32.1448 182.2868 147 L 4.6620 8.9233 126.8262 59.6614 40.9162 181.5961 148 E 4.9336 8.7370 121.8197 58.3240 30.1001 180.1909 149 R 4.8856 8.0349 117.1968 56.2576 35.7020 178.1807 150 G 3.8071 7.3120 103.5085 44.8788 0.0000 172.0127 151 E 4.0992 8.2910 119.4928 56.9460 29.8692 176.5876 152 V 4.3921 8.0550 120.3831 62.1355 34.6479 174.4678 153 E 4.6028 8.6729 122.7201 54.6983 31.1161 173.5985 154 V 4.0312 8.2399 120.7467 61.3830 33.4061 171.4637 155 D 4.5950 8.1878 127.5507 53.9454 39.4629 174.4056 156 D 4.4770 8.6131 124.4871 56.7024 40.6798 179.0919 157 S 4.1375 8.0586 118.4341 62.1057 62.7897 176.6086 *158 F 3.9763 7.4729 121.8588 61.9949 38.0474 178.7550 159 V 3.9120 7.8436 118.5039 66.3215 31.1650 177.6181 160 D 4.5353 8.0431 120.2786 58.0891 40.4620 179.2488 161 E 4.2807 8.3412 119.9455 60.1956 29.7767 180.3057 162 K 4.7061 8.1487 121.5066 55.6389 33.1750 182.2180 163 M 3.5664 8.0823 124.2492 55.7342 31.8472 178.9494 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 T 8.03 4.33 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 1.24 0.00 0.00 8 Q 8.51 3.93 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 9 Q 8.80 4.10 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 10 M 7.88 4.28 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 11 A 8.51 3.99 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 12 V 7.79 3.53 2.26 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 1.00 0.00 0.00 1.03 0.00 0.00 13 S 8.15 4.11 0.00 4.03 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 14 I 8.31 3.72 2.05 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 1.54 0.55 0.95 0.00 0.00 15 I 8.13 3.87 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 1.14 0.00 0.00 16 N 8.44 4.40 0.00 3.07 2.92 0.00 0.00 7.05 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 17 S 8.42 4.16 0.00 4.02 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 18 S 8.05 4.09 0.00 4.01 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 19 F 7.52 3.37 0.00 1.73 2.84 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 20 E 8.06 3.52 0.00 2.18 1.90 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 2.32 2.48 0.00 21 A 7.94 3.94 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 22 A 7.73 3.92 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 23 V 7.21 3.27 1.85 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 0.91 0.00 0.00 -0.11 0.00 0.00 24 V 7.74 3.68 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 1.02 0.00 0.00 0.94 0.00 0.00 25 A 7.89 3.88 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 26 A 7.84 3.81 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 27 T 8.04 3.17 4.23 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 1.28 0.00 0.00 28 S 8.31 4.21 0.00 4.09 4.19 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 29 A 8.05 3.97 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 30 L 7.84 4.00 0.00 1.70 2.00 0.92 0.38 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 31 E 8.00 4.06 0.00 2.25 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 0.00 2.37 2.40 0.00 32 N 8.08 4.41 0.00 2.87 2.85 0.00 0.00 7.20 7.69 0.00 0.00 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 M 7.29 4.56 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 34 G 8.23 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 35 I 7.84 4.41 2.06 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 1.19 0.88 0.98 0.00 0.00 36 E 8.73 4.24 0.00 1.99 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 2.23 1.87 0.00 37 Y 7.42 4.73 0.00 3.01 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 38 D 8.38 4.86 0.00 2.76 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 39 Y 8.89 4.41 0.00 3.23 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 40 Q 8.43 3.91 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 41 D 8.81 4.35 0.00 2.82 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 42 I 8.03 3.68 1.76 0.00 0.00 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 1.35 0.94 0.73 0.00 0.00 43 Y 8.23 3.69 0.00 2.36 2.84 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 44 S 8.57 4.17 0.00 4.05 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 45 R 8.06 3.91 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 46 V 7.71 3.70 1.96 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 1.04 0.00 0.00 0.88 0.00 0.00 47 K 8.15 3.96 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.30 7.81 48 N 8.31 4.37 0.00 2.94 2.85 0.00 0.00 6.62 6.80 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 49 K 8.11 4.02 0.00 1.94 2.03 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.57 7.81 50 F 8.62 3.97 0.00 3.46 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 51 D 8.46 4.41 0.00 2.89 2.73 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 0.00 0.00 0.00 0.00 52 F 8.35 4.03 0.00 3.24 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 53 V 8.38 3.52 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 0.79 0.00 0.00 1.06 0.00 0.00 54 M 8.01 3.86 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 55 D 7.77 4.30 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.05 0.00 1.58 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 0.00 0.00 0.00 57 S 7.76 4.19 0.00 3.99 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 58 G 7.89 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 0.00 0.00 0.00 59 V 7.44 3.58 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 0.77 0.00 0.00 0.88 0.00 0.00 60 K 7.95 4.04 0.00 1.88 1.71 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 61 N 8.05 4.34 0.00 2.88 3.00 0.00 0.00 6.73 6.92 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 62 N 7.78 4.19 0.00 2.80 2.94 0.00 0.00 7.15 8.99 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 63 P 0.00 4.21 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 64 I 7.70 3.75 1.95 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 1.45 0.67 0.89 0.00 0.00 65 G 8.23 3.53 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 0.00 0.00 0.00 66 K 8.20 4.00 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 67 A 8.66 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.85 3.70 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.88 0.00 0.00 69 T 7.72 3.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 70 I 7.59 3.65 2.01 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 1.52 0.85 0.89 0.00 0.00 71 D 7.73 4.35 0.00 2.76 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 72 Q 8.02 4.03 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 73 A 7.64 3.55 1.09 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 0.00 0.00 74 L 7.57 4.08 0.00 1.77 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.96 4.66 0.00 2.55 2.80 0.00 0.00 7.23 7.74 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 76 N 7.94 4.26 0.00 2.93 3.01 0.00 0.00 6.90 7.61 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 77 K 7.14 4.51 0.00 1.67 1.66 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.52 7.81 78 F 8.53 4.36 0.00 3.12 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 79 G 7.63 4.15 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 0.00 80 S 8.06 4.07 0.00 3.88 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 81 A 8.03 4.13 1.44 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 0.00 0.00 82 I 8.75 3.70 2.19 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 1.45 1.02 0.95 0.00 0.00 83 R 8.32 3.96 0.00 1.94 2.13 0.00 3.07 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 84 N 8.87 4.49 0.00 2.85 3.06 0.00 0.00 7.30 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 85 R 8.32 4.02 0.00 1.85 1.92 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 86 N 8.35 4.58 0.00 2.96 2.96 0.00 0.00 6.71 7.24 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 87 W 8.24 4.38 0.00 3.36 3.49 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 88 L 7.90 3.73 0.00 1.87 1.68 1.09 0.73 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 89 A 7.97 4.12 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 90 D 7.73 4.29 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.84 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 1.19 0.00 0.00 92 S 7.79 4.60 0.00 3.85 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 93 R 7.88 3.59 0.00 1.76 1.70 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.16 0.00 94 P 0.00 4.11 0.00 2.12 2.02 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 95 A 7.80 3.93 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 96 K 8.06 3.89 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 97 L 8.00 4.05 0.00 1.61 1.69 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.28 4.43 0.00 2.95 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 99 E 8.32 4.04 0.00 2.16 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 2.32 2.57 0.00 100 D 8.12 4.27 0.00 2.87 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 0.00 101 V 8.99 3.67 2.15 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 0.93 0.00 0.00 0.96 0.00 0.00 102 N 8.68 4.40 0.00 2.72 2.81 0.00 0.00 7.05 6.66 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 0.00 103 K 7.71 4.18 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.62 7.81 104 L 7.72 4.15 0.00 1.78 1.71 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.10 3.99 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 106 M 7.80 4.09 0.00 2.05 2.23 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 2.61 2.72 0.00 107 M 7.59 4.24 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 108 L 7.42 4.28 0.00 1.76 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *112 G 7.70 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 0.00 113 I 8.67 3.38 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 0.58 0.91 0.00 0.00 114 D 7.93 4.54 0.00 2.63 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 0.00 115 Q 8.17 4.28 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 116 K 8.17 4.12 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.13 7.81 117 M 8.47 4.34 0.00 2.02 2.34 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 2.64 2.85 0.00 118 R 7.84 4.05 0.00 1.94 2.16 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 119 V 7.70 3.73 2.26 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 1.00 0.00 0.00 0.99 0.00 0.00 120 L 8.05 4.22 0.00 1.84 1.89 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 N 9.14 4.37 0.00 2.65 2.91 0.00 0.00 7.00 7.23 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 0.00 122 A 7.64 4.28 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 0.00 123 C 7.71 4.16 0.00 1.86 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 0.00 0.00 0.00 124 F 7.97 5.35 0.00 2.89 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 0.00 125 S 9.00 4.76 0.00 3.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.76 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 0.81 0.00 0.00 0.95 0.00 0.00 127 K 9.55 4.86 0.00 1.40 1.62 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.21 7.81 128 R 8.17 4.85 0.00 1.71 1.73 0.00 3.15 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 129 I 8.41 3.98 1.84 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 1.40 0.39 0.89 0.00 0.00 130 P 0.00 4.20 0.00 2.01 2.02 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 131 G 8.95 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 0.00 132 K 7.69 4.23 0.00 1.90 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.33 7.81 133 S 8.35 4.36 0.00 3.91 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 0.00 134 S 7.66 4.47 0.00 3.97 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 0.00 135 S 8.20 5.00 0.00 3.82 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 0.00 136 I 8.87 4.62 1.96 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 1.21 1.25 0.91 0.00 0.00 137 I 8.62 4.86 1.83 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 1.15 0.51 0.85 0.00 0.00 138 K 9.10 4.89 0.00 1.38 1.63 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.21 7.81 139 C 8.32 4.93 0.00 2.99 3.27 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 0.00 140 T 8.50 4.42 4.23 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 1.17 0.00 0.00 141 K 8.86 3.95 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.09 7.81 142 L 7.85 4.21 0.00 1.64 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 M 8.25 4.26 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00 144 R 8.76 4.15 0.00 1.81 1.94 0.00 3.33 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 145 D 8.54 4.80 0.00 2.72 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 0.00 146 K 7.97 4.45 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 L 8.92 4.66 0.00 1.61 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.74 4.93 0.00 2.01 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 2.26 2.19 0.00 149 R 8.03 4.89 0.00 1.76 1.78 0.00 3.31 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 150 G 7.31 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 0.00 0.00 0.00 151 E 8.29 4.10 0.00 2.08 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 2.30 2.40 0.00 152 V 8.05 4.39 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 0.79 0.00 0.00 1.04 0.00 0.00 153 E 8.67 4.60 0.00 2.02 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 2.17 1.85 0.00 154 V 8.24 4.03 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 0.94 0.00 0.00 0.92 0.00 0.00 155 D 8.19 4.59 0.00 2.92 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 0.00 156 D 8.61 4.48 0.00 2.68 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 0.00 157 S 8.06 4.14 0.00 3.85 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 *158 F 7.47 3.98 0.00 2.32 2.22 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 0.00 159 V 7.84 3.91 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 0.91 0.00 0.00 0.91 0.00 0.00 160 D 8.04 4.54 0.00 2.87 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 0.00 161 E 8.34 4.28 0.00 2.06 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 2.26 2.20 0.00 162 K 8.15 4.71 0.00 1.66 1.65 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.21 7.81 163 M 8.08 3.57 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.