NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2716 8.1744 117.3754 63.9521 69.9028 172.0055 7 T 4.4002 7.9182 116.0471 60.4664 69.4794 172.0867 8 T 4.5416 8.0828 116.6765 61.0121 71.3180 171.9823 9 L 4.5747 9.5778 132.2901 54.5386 43.5065 175.2673 10 F 5.4969 8.6613 119.6192 55.2800 41.0209 174.5145 11 R 4.1533 8.3792 120.4397 55.0184 33.7124 173.9514 12 F 5.2204 8.4227 125.7150 57.8433 39.8144 174.9944 13 V 4.5727 9.1234 115.6652 59.8494 36.7520 174.3705 14 E 4.8073 8.6934 123.1109 54.6838 29.2826 174.9632 15 C 4.3921 8.6062 124.6647 60.3269 29.1657 173.5755 16 T 4.8747 8.6488 110.5417 59.5358 71.4767 174.2022 17 E 2.5400 8.6303 124.9899 59.7454 29.7109 179.2327 18 D 4.3004 8.1527 118.3256 56.8076 39.7704 180.4519 19 Q 4.2906 7.5692 116.2608 56.1742 28.6892 177.8153 20 H 4.9392 8.1988 110.0854 54.5395 31.1885 174.9299 21 A 4.1115 8.0473 122.4872 55.3662 17.9735 179.4583 22 L 3.8538 7.7458 117.8409 58.5483 42.2974 178.9768 23 E 4.0744 8.1511 117.8807 59.2850 29.3951 179.4135 24 I 3.7134 8.0448 120.4240 63.9322 37.0972 177.9898 25 L 3.7983 8.1218 121.5506 58.2561 42.0530 178.9277 26 E 3.9523 8.2297 118.4189 59.4023 29.4822 179.4906 27 I 3.7472 7.5980 119.9445 64.3047 37.1400 178.4733 28 L 3.6786 7.8641 119.7345 57.8682 41.4071 179.3665 29 N 4.2731 8.2609 116.5143 56.2715 38.4540 176.9553 30 D 4.2921 8.0431 118.8906 57.3258 41.3095 178.1975 31 A 4.0835 7.8438 120.9637 55.1098 18.1137 179.8041 32 I 3.6657 7.6739 117.6840 64.7549 37.3457 178.5088 33 I 4.0134 7.8720 119.3424 63.6879 37.0459 177.3235 34 N 4.8291 8.2273 115.1882 53.5941 39.5551 174.1924 35 S 4.7455 8.2585 113.3767 57.9707 66.0010 173.9059 36 T 4.3976 8.4474 108.7475 61.5630 68.6490 175.3798 37 A 4.2220 7.9350 126.2402 54.5248 18.4584 178.4234 38 L 4.9937 7.8009 115.0074 53.5655 45.0315 176.0759 39 Y 4.4073 8.6336 119.1545 58.1483 38.1393 175.4112 40 D 4.5651 7.3570 118.5857 54.1159 41.8627 176.3634 41 Y 4.2793 8.4106 119.9607 59.5331 38.6906 176.2135 42 K 4.7086 7.6834 116.6637 53.4365 34.7540 174.2553 43 P 4.4525 0.0000 0.0000 63.2055 31.8548 176.2229 44 R 4.4988 8.6565 119.8215 55.0009 31.7026 177.6387 45 S 4.5666 8.1985 119.2052 58.6739 65.2933 175.6743 *46 K 4.2994 8.5854 127.9611 60.5825 31.4604 175.0517 *47 E 4.1781 8.2372 118.0536 60.8646 29.8503 182.8531 48 S 4.4006 8.1623 114.4195 62.1220 62.7987 176.7733 49 M 4.2872 7.8039 121.4730 57.8833 31.6179 178.2273 50 A 4.3723 8.7065 122.7362 54.7515 18.5087 179.4971 51 A 4.1031 8.1915 118.4609 54.9619 18.2862 179.3963 52 W 4.0867 7.9463 125.5249 60.8496 30.7916 178.2932 53 F 3.9503 8.8836 117.4452 60.2765 38.3567 177.3044 54 A 4.0358 8.6352 120.9005 55.7733 18.3104 179.6318 55 T 3.7759 8.1617 114.2035 66.8352 68.5515 176.8006 56 K 3.9163 7.5705 120.2248 59.5868 32.1648 179.6653 57 R 3.8795 8.0039 118.2299 59.4006 29.8179 179.1957 58 Q 4.0128 8.3257 116.9737 57.9691 28.7088 177.5343 59 N 4.4510 7.2915 113.9541 51.3765 39.5497 174.1027 60 N 4.0795 7.5120 116.5264 54.1161 36.9004 174.5198 61 F 4.8157 7.9743 116.3095 56.6243 40.0768 175.1588 62 P 4.3502 0.0000 0.0000 62.5897 33.2722 175.5054 63 I 4.6556 8.0570 120.9732 59.9137 40.6511 174.1641 64 I 4.6229 8.9309 129.8757 59.8379 38.5983 175.7971 65 G 4.5402 9.2800 115.0883 44.8788 0.0000 171.9295 66 A 5.3743 9.3004 123.5698 50.1333 21.3619 176.1631 67 V 5.4580 9.0268 115.7776 58.9336 35.7808 175.6272 68 N 5.5608 8.1321 120.0627 50.9694 40.0940 174.5919 69 E 3.8833 9.2982 119.5932 60.8967 29.7684 179.6126 *70 V 3.6500 7.9068 114.8565 64.5121 31.5722 179.3645 71 G 4.2969 8.4103 107.3334 45.1395 0.0000 173.6348 72 Q 4.3148 8.2757 118.6773 54.6739 29.6628 175.1441 73 L 4.5757 9.6786 125.3674 54.6314 41.9090 176.8057 74 L 3.9063 9.1542 128.0660 55.5364 42.2333 177.1023 75 G 4.5866 7.4650 106.3700 46.5916 0.0000 171.3032 76 F 5.7004 8.3035 113.9153 55.8304 41.7015 173.0904 77 A 5.2045 9.4626 120.8616 50.9189 22.9132 174.9660 78 S 4.9956 9.2893 113.7998 58.0238 66.7762 172.6747 79 W 5.6729 7.9854 118.7109 55.4737 31.6215 173.9622 80 G 3.1703 8.8433 105.6340 45.1423 0.0000 172.0149 81 S 4.5017 8.4607 114.5036 58.4264 63.0895 174.5162 82 F 4.5357 8.8042 129.9377 60.2098 39.6763 175.6369 83 R 4.0974 7.3257 116.7283 54.0687 33.5181 176.3439 84 A 4.2727 7.9623 127.2847 50.9729 17.4026 176.6825 85 F 5.0311 7.4673 120.6575 54.3637 44.1580 174.9307 86 P 4.2314 0.0000 0.0000 65.8137 31.2559 178.2677 87 A 4.1808 8.0492 118.2124 53.9228 18.4905 177.0054 88 Y 4.7731 8.1941 114.0492 57.4383 38.0801 177.9183 89 K 3.9805 7.8862 121.1556 59.3363 32.7885 177.0261 90 Y 4.7823 7.9392 115.9189 57.9610 39.4192 174.6678 91 T 5.1321 8.1544 117.1410 61.8627 70.7107 174.2110 92 V 4.5636 8.6269 119.0189 59.3960 35.9242 173.9368 93 E 5.7338 9.2492 124.0944 54.2095 31.4613 174.6061 94 H 5.7829 8.7722 121.8979 54.2087 31.8134 173.3766 95 S 4.6941 9.1899 113.2925 56.9484 66.5588 173.2702 96 V 4.6222 7.8122 120.9009 60.0745 34.1382 174.2421 97 Y 4.5664 8.5330 121.2355 56.1408 41.3123 174.2706 98 I 4.7257 8.3105 124.6167 59.2682 39.6720 175.0748 99 H 4.2835 9.3580 127.4909 56.3840 30.2477 176.3314 100 K 3.9890 8.5769 123.6718 60.0301 32.4945 177.8746 101 D 4.3632 8.3149 117.6627 56.1056 40.9532 176.2870 102 Y 4.5816 7.8128 114.9661 57.4597 38.5539 176.1878 103 R 4.0403 7.7407 119.2457 57.4005 30.7070 176.8484 104 G 3.8976 8.8388 108.3754 46.0134 0.0000 174.0673 105 L 4.3220 7.9042 117.5575 54.2021 42.6088 177.4184 106 G 3.9401 8.1221 107.3431 45.8530 0.0000 175.3531 107 L 3.7933 7.8914 121.4169 57.6127 41.6384 179.3602 108 S 4.1842 8.0419 113.6891 61.3169 62.8023 176.1790 109 K 3.8558 8.0015 122.6250 59.7822 32.0497 178.3685 110 H 4.4020 8.0844 116.1279 58.6461 28.6271 177.9252 111 L 4.1118 8.6885 121.3329 58.0632 41.5416 179.2147 112 M 4.0418 8.5246 118.9092 58.7342 31.9441 178.5118 113 N 4.3990 8.2613 116.3158 56.5487 38.6845 177.3424 114 E 3.8496 7.9454 119.4268 59.1982 29.4105 179.1523 115 L 4.0699 8.0247 120.5037 57.8947 42.0481 179.0634 116 I 3.7392 8.4450 120.2283 64.3985 37.2160 178.3033 117 K 3.8928 7.9984 119.2842 59.7542 31.6837 179.3335 118 R 4.0166 8.0765 117.4188 59.2012 30.2614 178.2410 119 A 4.1962 8.4027 120.8966 55.1611 17.9610 179.4862 120 V 3.5203 8.0388 117.1408 66.4118 31.3086 177.6784 121 E 4.2104 8.0030 116.4617 58.0492 29.5776 177.6664 122 S 4.7389 7.8255 113.1992 57.6232 63.4270 173.4636 123 E 3.7919 7.8051 118.7942 57.4519 27.0106 174.8152 124 V 3.9490 7.7771 117.2052 62.9733 32.7107 174.4949 125 H 5.0853 9.2326 125.5822 56.4390 32.0063 174.7599 126 V 4.7615 7.4778 117.0413 61.2732 35.1736 173.8335 127 M 4.8868 8.6591 127.2395 53.6236 34.4855 174.8434 128 V 4.8319 9.1665 124.3467 61.0893 34.0828 174.3324 129 G 4.2399 9.5471 115.5812 44.6199 0.0000 171.5992 130 C 5.1008 8.5048 124.6105 57.5827 33.3572 172.8775 131 I 4.6275 8.5159 126.1874 59.1518 41.7811 174.0988 132 D 4.8412 8.7388 125.3412 54.3737 41.5502 177.0665 133 A 4.0951 8.9638 129.6777 54.7111 18.5459 178.1191 134 T 4.2516 8.8335 105.1851 62.5189 69.8038 175.7074 135 N 4.5875 7.9668 123.1967 51.9900 37.3818 174.7624 136 V 3.5150 8.1458 122.1920 65.6846 31.7228 176.7977 137 A 3.9151 7.9003 119.5674 55.3359 18.2565 179.4546 138 S 3.9531 8.2477 111.6505 61.1734 62.3592 176.1753 139 I 2.9920 7.4585 122.6473 64.3835 36.8794 178.3660 140 Q 4.0486 8.2410 118.9376 58.7564 28.5340 178.3441 141 L 3.8545 8.0535 121.6957 58.6868 41.9671 178.8377 142 H 3.8712 8.3277 116.1369 58.8609 28.5787 177.7069 143 Q 4.2910 8.3588 120.2003 59.2117 28.3671 179.2217 144 K 3.9994 8.3359 118.4360 59.2820 32.1819 178.5404 145 L 4.4084 7.6922 116.5764 55.0205 41.8869 177.6110 146 G 4.0544 8.0669 107.7189 44.8977 0.0000 173.8358 147 F 4.7359 8.5448 118.6072 57.0304 39.8656 175.0367 148 I 4.6551 8.8868 115.6157 59.2612 40.7291 174.6642 149 H 3.7137 8.7944 123.9930 55.9904 28.6341 174.9032 150 S 4.1876 8.8190 122.7057 59.7820 63.4877 174.7865 151 G 3.9461 7.0667 104.7956 46.6993 0.0000 171.2356 152 T 5.2364 8.1235 115.3298 61.9162 72.4530 174.4035 153 I 4.2757 8.8098 127.8015 60.1473 37.8831 175.1542 154 Q 4.4778 8.6316 127.2227 56.2545 29.9942 176.7928 155 Q 3.8827 9.1546 121.4212 56.9772 26.8769 175.1269 156 A 4.2199 7.7767 122.9746 53.9098 18.8731 178.6478 157 G 4.4524 8.3071 103.9534 43.7829 0.0000 172.0062 158 F 4.9263 8.3813 120.8982 56.4542 42.0037 173.5576 159 K 4.2350 8.1857 127.4129 56.2762 35.0956 174.8957 160 F 3.7637 8.9036 120.6254 58.7226 36.3404 175.9953 161 G 3.7613 8.0902 104.7135 45.9433 0.0000 174.1032 162 R 4.4161 6.4812 114.5078 53.2459 32.6581 174.1488 163 W 5.3235 8.5624 118.7904 56.9119 30.1447 175.7034 164 L 4.9062 9.7344 124.1672 53.1520 44.5739 175.0665 165 D 5.2754 8.7226 121.9324 52.8984 43.0708 175.2612 166 A 4.6573 8.9108 126.5815 50.7084 20.0653 175.6923 167 A 4.8397 9.1282 125.0397 51.3583 21.4277 175.8237 168 F 5.2299 9.2643 120.2672 55.9978 41.8032 174.1458 169 Y 5.1825 9.2641 122.3310 56.1808 40.7182 174.9569 170 Q 5.2985 9.3988 120.5670 54.4029 32.8964 173.8175 171 L 4.5275 8.4908 122.2052 53.5292 44.9219 175.0160 172 T 4.7396 8.3102 123.1626 62.2069 69.7175 174.7631 173 L 4.4314 8.3769 127.2257 53.4458 43.1740 176.7847 174 D 4.4121 8.5823 119.4880 56.5863 41.2978 177.4557 175 T 4.3024 7.4925 109.3715 59.5603 70.2412 172.2397 176 P 4.5522 0.0000 0.0000 62.1411 32.2303 176.3727 177 L 3.9526 8.3331 121.7643 57.7237 42.5034 176.9988 178 H 4.9196 7.4681 114.2781 52.9817 28.7200 171.3079 179 P 4.3604 0.0000 0.0000 62.6057 32.3554 176.8908 180 Q 4.5974 8.8100 117.1558 54.6017 31.5759 174.3053 181 D 4.5398 8.7634 121.1361 54.8157 41.6606 176.6460 182 D 4.5174 8.4834 119.0539 54.7947 40.9555 176.6929 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 6 T 8.17 4.27 4.25 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 1.22 0.00 0.00 7 T 7.92 4.40 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 1.23 0.00 0.00 8 T 8.08 4.54 4.37 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 1.30 0.00 0.00 9 L 9.58 4.57 0.00 1.77 1.66 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.66 5.50 0.00 2.88 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 11 R 8.38 4.15 0.00 1.71 1.79 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 12 F 8.42 5.22 0.00 3.02 2.90 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 13 V 9.12 4.57 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 0.84 0.00 0.00 0.98 0.00 0.00 14 E 8.69 4.81 0.00 1.98 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 2.22 2.38 0.00 15 C 8.61 4.39 0.00 2.98 2.97 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 16 T 8.65 4.87 4.25 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 1.30 0.00 0.00 17 E 8.63 2.54 0.00 1.27 1.65 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 2.05 1.61 0.00 18 D 8.15 4.30 0.00 2.73 2.60 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 19 Q 7.57 4.29 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 20 H 8.20 4.94 0.00 3.43 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.05 4.11 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 22 L 7.75 3.85 0.00 1.75 1.66 0.90 0.97 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 23 E 8.15 4.07 0.00 2.10 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 2.44 2.43 0.00 24 I 8.04 3.71 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.63 0.14 0.00 0.00 25 L 8.12 3.80 0.00 1.77 1.83 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.23 3.95 0.00 2.07 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 2.46 2.52 0.00 27 I 7.60 3.75 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 0.99 0.00 0.00 28 L 7.86 3.68 0.00 1.63 1.46 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.26 4.27 0.00 2.78 2.85 0.00 0.00 6.71 8.15 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 30 D 8.04 4.29 0.00 2.74 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 31 A 7.84 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.67 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.94 0.00 0.00 33 I 7.87 4.01 2.02 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 1.56 0.40 0.94 0.00 0.00 34 N 8.23 4.83 0.00 2.88 2.84 0.00 0.00 6.81 6.85 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 35 S 8.26 4.75 0.00 4.01 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 36 T 8.45 4.40 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 1.27 0.00 0.00 37 A 7.93 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.99 0.00 1.76 1.56 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.63 4.41 0.00 2.81 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 40 D 7.36 4.57 0.00 2.67 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 41 Y 8.41 4.28 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.68 4.71 0.00 1.76 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 43 P 0.00 4.45 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 44 R 8.66 4.50 0.00 1.69 1.80 0.00 3.02 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 45 S 8.20 4.57 0.00 4.01 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 *46 K 8.59 4.30 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.06 7.81 *47 E 8.24 4.18 0.00 1.97 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 2.31 1.94 0.00 48 S 8.16 4.40 0.00 4.07 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 0.00 49 M 7.80 4.29 0.00 2.09 2.41 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 50 A 8.71 4.37 1.47 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.30 5.70 0.00 3.33 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 77 A 9.46 5.20 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 78 S 9.29 5.00 0.00 4.11 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 79 W 7.99 5.67 0.00 3.18 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 80 G 8.84 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 0.00 0.00 0.00 81 S 8.46 4.50 0.00 3.99 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 82 F 8.80 4.54 0.00 2.99 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 83 R 7.33 4.10 0.00 0.67 1.29 0.00 2.52 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 84 A 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0.00 0.00 0.00 0.00 1.21 1.42 7.81 101 D 8.31 4.36 0.00 2.38 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 0.00 102 Y 7.81 4.58 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 0.00 103 R 7.74 4.04 0.00 1.80 1.86 0.00 3.25 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 104 G 8.84 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 0.00 105 L 7.90 4.32 0.00 1.69 1.66 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.12 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 0.00 0.00 0.00 107 L 7.89 3.79 0.00 1.66 1.70 0.85 0.36 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 0.00 108 S 8.04 4.18 0.00 3.97 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 0.00 109 K 8.00 3.86 0.00 1.81 2.02 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 110 H 8.08 4.40 0.00 3.49 3.87 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.69 4.11 0.00 1.80 1.78 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 112 M 8.52 4.04 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 113 N 8.26 4.40 0.00 2.89 2.91 0.00 0.00 7.11 7.01 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 0.00 114 E 7.95 3.85 0.00 1.76 1.56 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 1.79 1.47 0.00 115 L 8.02 4.07 0.00 1.91 1.88 0.86 1.21 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 0.00 116 I 8.44 3.74 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.89 0.00 0.00 117 K 8.00 3.89 0.00 1.99 1.89 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.63 7.81 118 R 8.08 4.02 0.00 1.83 2.32 0.00 3.32 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 119 A 8.40 4.20 1.27 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 0.00 120 V 8.04 3.52 2.27 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 0.99 0.00 0.00 0.95 0.00 0.00 121 E 8.00 4.21 0.00 2.34 2.27 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 2.32 2.22 0.00 122 S 7.83 4.74 0.00 4.18 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 0.00 123 E 7.81 3.79 0.00 2.31 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 2.30 2.46 0.00 124 V 7.78 3.95 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 0.52 0.00 0.00 0.44 0.00 0.00 125 H 9.23 5.09 0.00 3.10 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.48 4.76 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.85 0.00 0.00 127 M 8.66 4.89 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 128 V 9.17 4.83 1.59 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 0.91 0.00 0.00 0.34 0.00 0.00 129 G 9.55 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 0.00 0.00 0.00 0.00 130 C 8.50 5.10 0.00 3.06 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 0.00 131 I 8.52 4.63 1.79 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.57 0.76 0.00 0.00 132 D 8.74 4.84 0.00 2.81 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 0.00 133 A 8.96 4.10 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 0.00 134 T 8.83 4.25 4.25 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 1.28 0.00 0.00 135 N 7.97 4.59 0.00 2.72 2.80 0.00 0.00 6.66 7.43 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 0.00 136 V 8.15 3.52 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 1.03 0.00 0.00 0.98 0.00 0.00 137 A 7.90 3.92 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 0.00 138 S 8.25 3.95 0.00 3.81 3.70 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 0.00 139 I 7.46 2.99 1.89 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 1.10 0.34 0.81 0.00 0.00 140 Q 8.24 4.05 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 141 L 8.05 3.85 0.00 1.70 1.79 0.86 0.94 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 0.00 142 H 8.33 3.87 0.00 2.95 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.36 4.29 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 144 K 8.34 4.00 0.00 2.19 1.88 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.36 7.81 145 L 7.69 4.41 0.00 2.02 1.91 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.07 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 0.00 0.00 0.00 147 F 8.54 4.74 0.00 3.04 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 0.00 148 I 8.89 4.66 1.90 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 1.11 0.78 0.95 0.00 0.00 149 H 8.79 3.71 0.00 2.93 3.16 0.00 5.93 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 0.00 150 S 8.82 4.19 0.00 3.96 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 0.00 151 G 7.07 3.95 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 0.00 0.00 0.00 152 T 8.12 5.24 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 1.28 0.00 0.00 153 I 8.81 4.28 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.99 0.00 0.00 154 Q 8.63 4.48 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.39 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 155 Q 9.15 3.88 0.00 1.88 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 156 A 7.78 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.31 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.93 0.00 2.84 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 0.00 159 K 8.19 4.23 0.00 1.24 0.98 0.00 1.15 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.70 7.81 160 F 8.90 3.76 0.00 3.09 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 0.00 161 G 8.09 3.76 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 0.00 0.00 0.00 162 R 6.48 4.42 0.00 1.91 1.86 0.00 2.78 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 163 W 8.56 5.32 0.00 3.35 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 0.00 164 L 9.73 4.91 0.00 1.63 1.62 0.21 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.72 5.28 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.91 4.66 1.10 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 0.00 0.00 0.00 0.00 0.00 167 A 9.13 4.84 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 0.00 168 F 9.26 5.23 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.26 5.18 0.00 2.83 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 0.00 170 Q 9.40 5.30 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 171 L 8.49 4.53 0.00 0.27 0.65 0.57 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.31 4.74 4.11 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 1.00 0.00 0.00 173 L 8.38 4.43 0.00 1.37 1.51 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.58 4.41 0.00 2.62 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 0.00 175 T 7.49 4.30 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 1.25 0.00 0.00 176 P 0.00 4.55 0.00 2.03 2.00 0.00 3.41 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.00 177 L 8.33 3.95 0.00 1.46 1.30 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 178 H 7.47 4.92 0.00 3.14 3.17 0.00 5.76 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 0.00 179 P 0.00 4.36 0.00 2.00 1.42 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 180 Q 8.81 4.60 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 181 D 8.76 4.54 0.00 2.68 2.69 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 0.00 182 D 8.48 4.52 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.