NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.1963 8.2649 123.5748 52.3099 19.3284 179.9412 0 H 4.6037 8.5267 112.3499 54.1838 29.6758 168.9246 1 M 4.5277 9.0954 122.2301 53.6114 33.7651 175.0218 2 K 5.2798 8.5901 122.5592 53.5565 35.7500 175.8205 3 K 4.5151 8.2936 122.8578 55.1391 35.3673 175.1373 4 V 5.3469 8.7848 120.8738 59.5016 33.2510 175.3319 5 I 4.4217 8.2940 117.6062 59.3070 40.1301 176.1214 6 G 3.9786 8.5534 114.0070 44.4313 0.0000 172.1377 7 I 3.3564 8.0854 120.5173 62.4270 37.3400 176.5585 8 G 3.7640 8.1737 112.8455 45.8341 0.0000 172.6234 9 E 4.8939 7.6959 119.0621 54.8661 32.7602 174.1087 10 Y 5.3904 7.8902 117.0574 56.4140 41.1531 173.7413 11 A 4.5354 9.0452 120.5364 50.6991 23.4349 175.4712 12 V 4.6354 8.3503 118.9821 61.4414 34.0442 174.3531 13 M 4.7399 8.4365 128.2374 53.7546 34.9941 176.5432 14 K 4.6482 8.3970 124.5999 55.7021 34.0021 175.6328 15 N 4.3014 8.9141 117.2660 56.6860 38.8482 174.7774 16 P 4.4824 0.0000 0.0000 65.2208 32.2287 175.4106 17 G 3.8313 7.5198 111.2424 44.9888 0.0000 171.6748 18 V 5.5604 8.5786 124.2152 60.4664 34.4635 174.6888 19 I 4.8696 8.3573 126.9552 59.7115 39.5172 174.4695 20 V 5.2103 8.6241 127.2366 60.6311 34.5117 174.3347 21 T 4.9037 8.2460 120.1713 60.6223 70.6874 172.9052 22 L 4.7846 8.7736 127.9835 53.2958 44.2617 175.5010 23 G 3.9402 8.5446 105.4605 46.4942 0.0000 174.5094 24 L 4.1179 8.4563 120.1959 54.2812 42.7717 177.8337 25 G 3.5940 9.1016 116.9034 47.1434 0.0000 173.9093 26 S 4.8883 8.9739 120.3610 58.6192 64.9289 174.8780 27 C 4.7620 7.8038 119.3744 59.7241 29.8669 172.3033 28 V 4.7351 8.2530 119.8981 61.1039 34.2117 174.2050 29 A 4.7803 9.0188 130.1310 50.9520 20.4148 176.1558 30 V 4.2360 8.9260 124.2415 61.8903 33.1011 174.3170 31 C 4.9458 8.3035 125.9134 58.1780 30.8119 173.1927 32 M 5.4428 8.9930 121.5091 53.5552 36.5691 174.1763 33 R 5.1917 8.5902 117.1448 55.1223 33.8553 172.8915 34 D 5.1667 9.5571 120.9340 51.9780 43.3046 175.0431 35 P 4.2945 0.0000 0.0000 65.6853 32.0908 178.8466 36 V 3.5575 7.9838 117.4833 65.8656 31.5203 176.7465 37 A 4.0934 8.7097 120.0285 52.3397 18.9758 177.1061 38 K 3.9270 7.3617 113.5851 56.7419 30.0962 174.8215 39 V 4.5972 8.0609 117.6796 60.5184 35.8740 176.1433 40 G 4.6478 8.8011 108.1947 46.1182 0.0000 170.5195 41 A 4.9219 9.6444 120.5615 51.7494 23.5416 175.1820 42 M 5.1834 8.9024 117.8863 54.4512 36.3901 173.2840 43 A 5.1375 9.1280 127.7038 50.2761 22.1375 175.5411 44 H 4.8584 8.8973 125.1355 54.2993 28.5010 174.1330 45 V 4.4742 8.1277 114.3391 61.6277 32.3349 177.0486 46 M 4.3796 9.5899 125.1726 56.0375 34.0576 175.6121 47 L 4.9393 7.4653 116.3634 52.0737 45.9924 176.2531 48 P 4.3223 0.0000 0.0000 65.6987 31.6140 176.4238 49 D 4.5866 7.7578 113.7951 53.4126 43.7121 174.3501 50 S 3.9377 8.1760 119.0116 56.6960 65.1950 174.0239 51 G 3.8792 7.7570 107.9096 45.4138 0.0000 175.6540 52 G 3.9032 8.1066 106.6546 44.9927 0.0000 174.9710 53 K 4.0814 7.1352 117.8288 56.6999 31.1294 176.4541 54 T 4.3445 7.9835 121.1993 61.0474 66.1041 172.9434 55 D 4.6957 8.4457 122.7523 53.7884 42.5571 176.9294 56 K 4.6094 7.7814 122.3886 52.4513 32.1774 173.7785 57 P 4.4894 0.0000 0.0000 64.5997 31.8487 179.9793 58 G 3.7383 8.2018 107.4367 47.7699 0.0000 175.3531 59 K 3.6648 8.0324 121.2423 58.6996 32.4385 175.9715 60 Y 4.9984 7.4712 115.4639 55.7304 40.9968 176.1011 61 A 3.9962 8.6157 127.1877 55.4958 18.3309 179.8389 62 D 3.7369 8.1386 117.2352 56.8122 39.1485 178.6543 63 T 4.1208 7.8842 110.1510 63.6678 69.0336 176.6309 64 A 3.8855 8.1919 125.4814 54.5399 18.3527 179.4105 65 V 3.2808 7.5391 116.5450 66.1057 31.4001 178.2332 66 K 3.6303 7.3116 119.3386 59.3361 32.2124 178.3647 67 T 4.0481 7.9733 108.0135 62.8188 68.6039 175.7367 68 L 4.0982 7.3124 122.6638 57.3207 42.4490 179.1200 69 V 3.6656 7.2818 112.1048 63.8393 31.4531 178.3872 70 E 3.9039 8.7248 119.6812 59.4736 29.4061 178.6495 71 E 4.1884 7.5436 115.7040 58.2956 29.8972 178.6832 72 L 4.2737 7.7656 119.5510 57.2130 41.9570 178.9536 73 K 4.8985 8.5361 121.0311 58.4659 31.8973 177.9433 74 K 4.2342 7.7747 117.3417 57.5179 32.4162 176.9944 75 M 4.4222 8.2019 116.8640 55.2646 32.7624 175.3452 76 G 3.8576 7.3472 104.8205 45.9508 0.0000 174.4292 77 A 4.9894 7.9346 122.9316 51.2626 19.3108 176.7319 78 K 4.5915 8.4548 119.6785 54.4384 33.9319 177.3860 79 V 3.3197 8.6310 125.3617 65.9523 31.5663 177.9012 80 E 4.0857 8.3032 116.6963 58.2572 29.5232 177.5630 81 R 4.5872 8.4648 114.5481 55.4880 29.8379 175.5895 82 L 4.4634 7.6169 118.4812 55.3225 42.2368 176.5137 83 E 4.7803 9.5141 122.3946 55.1623 32.9369 175.1985 84 A 4.9097 8.2171 122.2141 51.0730 22.5553 175.2760 85 K 5.1346 8.7517 122.1940 54.7274 35.8681 175.7066 86 I 5.1222 8.5664 116.7919 59.4544 41.6835 174.1353 87 A 4.7215 8.0489 122.2067 50.6094 22.8469 174.8974 88 G 3.6954 9.4734 110.4572 44.0723 0.0000 174.5541 89 G 4.5012 8.6213 107.1672 45.9623 0.0000 172.8350 90 A 4.7440 8.1384 122.1109 50.8669 20.2856 178.0564 91 S 4.9643 7.6850 115.7056 56.3299 62.0972 173.8538 92 M 4.8406 8.1642 124.7399 58.7224 31.3332 178.2613 93 F 4.4436 7.9987 116.8352 55.4299 40.4129 174.6798 94 E 4.1512 8.8153 121.7337 57.2179 30.0914 177.4470 *95 S 4.4226 8.1044 113.7465 58.6010 64.9827 177.0881 *96 K 4.5130 8.7827 127.5542 52.6958 34.8590 172.1392 97 G 3.4171 8.5919 104.7651 48.2690 0.0000 173.5712 *98 M 2.9959 7.8200 118.7327 53.9642 28.8010 177.8223 99 N 4.4730 8.3071 122.9636 52.2992 38.6595 175.3194 100 I 3.7799 8.6990 126.6161 64.4893 37.2485 178.2612 101 G 3.6267 8.1333 105.3744 47.2472 0.0000 175.0147 102 A 4.0261 8.1092 123.5018 55.0338 18.2768 179.7539 103 R 3.8806 7.9609 116.0842 59.4674 29.5793 179.1482 104 N 4.3782 8.1691 116.2029 56.3490 38.4755 177.6732 105 V 3.6338 7.9754 119.7079 65.7465 31.4939 177.7899 106 E 3.8596 8.4230 119.1331 59.2841 29.6726 178.4588 107 A 4.0978 8.4647 121.4848 55.2152 18.4102 180.0052 108 V 3.6457 8.3825 118.0162 65.0041 31.4701 178.9019 109 K 4.0295 7.9632 119.0538 58.8059 31.7394 179.2847 110 K 3.9218 8.5485 120.5563 59.8526 31.9749 178.5788 111 H 4.4593 8.4192 116.3764 58.4203 28.6986 177.8115 112 L 4.0742 8.0888 121.1461 57.7331 41.3775 179.6105 113 K 4.0431 8.3528 118.5738 59.5534 31.7593 178.9588 114 D 4.3529 7.7489 118.2173 57.5145 40.9050 178.4418 115 F 4.2101 8.1808 115.3919 57.1754 39.3216 175.5112 116 G 3.8080 8.3213 106.9935 46.9170 0.0000 174.1081 117 I 4.3540 7.7576 121.0831 58.6609 38.4029 176.1325 118 K 4.0785 8.4651 127.0217 55.9772 32.7359 176.3952 119 L 4.5626 8.2715 125.3618 53.9674 41.6041 176.7574 120 L 4.3073 9.0051 125.7473 57.6633 42.2472 177.8603 121 A 4.6441 7.5960 117.3916 50.8600 22.5706 174.9837 122 E 5.1865 8.6508 120.8967 53.5646 32.9282 175.2295 123 D 4.8812 8.6913 125.5944 52.3067 41.7441 173.3869 124 T 5.1305 7.7788 112.3422 59.5696 72.2012 176.1580 125 G 3.8432 9.6729 110.0327 48.9450 0.0000 173.4084 126 G 3.8703 8.9232 109.3574 44.7535 0.0000 172.1925 127 N 5.2069 8.5119 112.4044 51.8146 39.6732 174.2301 128 R 4.9684 7.9326 115.6218 54.2011 31.8974 176.0409 129 A 4.6133 8.4361 123.5109 52.3464 20.0644 176.1624 130 R 4.7464 8.3925 112.0947 55.8853 33.0581 174.2672 131 S 5.2123 8.8008 116.5153 56.9960 66.3331 173.6583 132 V 5.5710 8.4384 115.1590 58.7370 36.0397 174.7919 133 E 4.7668 8.6920 122.2832 54.8786 32.9265 174.3527 134 Y 5.0177 8.7916 128.1193 56.4711 40.0589 174.2063 135 N 4.8662 8.8184 128.4272 52.2176 39.1331 175.7958 136 I 3.2937 8.0156 120.9934 63.0694 38.2330 177.3322 137 E 4.1387 8.2779 121.8287 58.5867 29.5745 177.1608 138 T 4.2519 7.7632 106.2074 60.4962 70.0341 174.7648 139 G 3.5664 8.1053 110.3598 46.1780 0.0000 173.0447 140 K 4.5742 7.3314 120.4174 54.5623 34.5631 175.1369 141 L 5.0919 8.6906 128.9165 52.9052 43.6044 174.5323 142 L 4.3265 9.1283 129.7666 55.0193 43.3742 175.5079 143 V 4.7261 9.2988 127.2322 61.1013 34.1942 174.0277 144 R 5.1742 8.9964 129.0250 54.5577 32.6343 174.3701 145 K 4.9271 9.0024 125.3884 54.8724 36.8358 176.9046 146 V 4.2216 7.8414 113.4379 60.1766 29.8545 176.0222 *152 L 4.2749 7.5290 121.7384 54.3796 44.5347 176.6277 153 E 5.3819 8.4372 118.2723 56.6379 31.1721 175.4944 154 I 5.2734 7.6400 110.9723 58.9159 40.2489 174.2738 155 K 4.7597 9.0527 123.5149 55.6804 36.8386 175.0229 156 E 5.0124 8.5990 119.5282 54.9550 32.9912 175.6570 157 I 4.1338 8.2760 118.2674 60.8789 38.0390 175.6777 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 -1 A 8.26 4.20 1.08 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 0.00 0.00 0 H 8.53 4.60 0.00 3.18 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.10 4.53 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 2 K 8.59 5.28 0.00 1.61 1.74 0.00 1.64 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.30 7.81 3 K 8.29 4.52 0.00 1.81 1.60 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.50 7.81 4 V 8.78 5.35 2.12 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 0.79 0.00 0.00 0.93 0.00 0.00 5 I 8.29 4.42 1.87 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 1.29 0.69 0.88 0.00 0.00 6 G 8.55 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 0.00 0.00 0.00 7 I 8.09 3.36 1.77 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 1.27 0.52 0.75 0.00 0.00 8 G 8.17 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 9 E 7.70 4.89 0.00 1.98 1.79 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 2.19 2.39 0.00 10 Y 7.89 5.39 0.00 3.00 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 11 A 9.05 4.54 1.17 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 12 V 8.35 4.64 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 0.92 0.00 0.00 1.08 0.00 0.00 13 M 8.44 4.74 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 14 K 8.40 4.65 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 15 N 8.91 4.30 0.00 2.79 2.87 0.00 0.00 6.81 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 16 P 0.00 4.48 0.00 2.21 2.21 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 17 G 7.52 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.58 5.56 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 1.15 0.00 0.00 0.91 0.00 0.00 19 I 8.36 4.87 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 1.00 0.00 0.00 20 V 8.62 5.21 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 1.44 0.00 0.00 0.98 0.00 0.00 21 T 8.25 4.90 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 1.14 0.00 0.00 22 L 8.77 4.78 0.00 1.67 1.57 0.93 0.97 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 23 G 8.54 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 24 L 8.46 4.12 0.00 1.76 1.60 0.85 0.49 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 25 G 9.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.97 4.89 0.00 4.12 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 0.00 27 C 7.80 4.76 0.00 2.99 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 28 V 8.25 4.74 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 0.93 0.00 0.00 0.95 0.00 0.00 29 A 9.02 4.78 1.16 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 0.00 0.00 30 V 8.93 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 31 C 8.30 4.95 0.00 2.32 1.18 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 32 M 8.99 5.44 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 R 8.59 5.19 0.00 2.01 2.25 0.00 2.98 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 34 D 9.56 5.17 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.26 2.29 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 36 V 7.98 3.56 2.20 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 0.80 0.00 0.00 0.94 0.00 0.00 37 A 8.71 4.09 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 38 K 7.36 3.93 0.00 1.89 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.70 7.81 39 V 8.06 4.60 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 0.76 0.00 0.00 0.98 0.00 0.00 40 G 8.80 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.64 4.92 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 42 M 8.90 5.18 0.00 2.10 1.86 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 2.39 2.44 0.00 43 A 9.13 5.14 1.19 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 0.00 0.00 44 H 8.90 4.86 0.00 3.22 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.13 4.47 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 0.60 0.00 0.00 0.95 0.00 0.00 46 M 9.59 4.38 0.00 1.70 1.91 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 47 L 7.47 4.94 0.00 1.69 1.64 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.32 0.00 2.08 2.15 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 49 D 7.76 4.59 0.00 2.61 2.50 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 50 S 8.18 3.94 0.00 3.27 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 51 G 7.76 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 52 G 8.11 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 53 K 7.14 4.08 0.00 2.05 1.82 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.63 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 0.99 7.81 54 T 7.98 4.34 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 1.26 0.00 0.00 55 D 8.45 4.70 0.00 2.80 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 56 K 7.78 4.61 0.00 1.86 1.74 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.51 7.81 57 P 0.00 4.49 0.00 2.02 2.27 0.00 4.10 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 58 G 8.20 3.74 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 0.00 0.00 0.00 59 K 8.03 3.66 0.00 1.55 1.52 0.00 1.37 0.00 0.00 1.15 0.00 0.00 2.56 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.01 7.81 60 Y 7.47 5.00 0.00 3.13 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 61 A 8.62 4.00 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 62 D 8.14 3.74 0.00 2.73 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 63 T 7.88 4.12 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 1.20 0.00 0.00 64 A 8.19 3.89 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 65 V 7.54 3.28 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 0.49 0.00 0.00 0.90 0.00 0.00 66 K 7.31 3.63 0.00 1.99 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.82 1.88 7.81 67 T 7.97 4.05 4.09 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 1.14 0.00 0.00 68 L 7.31 4.10 0.00 1.69 1.63 0.83 1.13 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 69 V 7.28 3.67 2.06 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 0.43 0.00 0.00 0.90 0.00 0.00 70 E 8.72 3.90 0.00 2.06 1.94 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 2.32 2.37 0.00 71 E 7.54 4.19 0.00 2.26 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 2.40 2.37 0.00 72 L 7.77 4.27 0.00 1.76 1.72 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.54 4.90 0.00 1.92 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 74 K 7.77 4.23 0.00 1.97 1.98 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 75 M 8.20 4.42 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 76 G 7.35 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 77 A 7.93 4.99 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 78 K 8.45 4.59 0.00 1.81 1.74 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.39 7.81 79 V 8.63 3.32 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 1.16 0.00 0.00 1.03 0.00 0.00 80 E 8.30 4.09 0.00 2.13 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 2.19 2.26 0.00 81 R 8.46 4.59 0.00 1.88 2.03 0.00 3.08 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 82 L 7.62 4.46 0.00 1.73 1.66 0.99 1.18 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 83 E 9.51 4.78 0.00 1.94 1.91 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 2.28 2.28 0.00 84 A 8.22 4.91 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 85 K 8.75 5.13 0.00 1.67 1.70 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.43 7.81 86 I 8.57 5.12 1.83 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 1.14 0.75 0.86 0.00 0.00 87 A 8.05 4.72 1.19 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 0.00 0.00 88 G 9.47 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 0.00 0.00 0.00 89 G 8.62 4.50 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 0.00 90 A 8.14 4.74 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 91 S 7.69 4.96 0.00 4.06 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 92 M 8.16 4.84 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 93 F 8.00 4.44 0.00 3.01 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 94 E 8.82 4.15 0.00 2.12 2.00 0.00 0.00 0.00 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 2.36 0.00 *95 S 8.10 4.42 0.00 3.59 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.78 4.51 0.00 1.74 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.97 7.81 97 G 8.59 3.42 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 0.00 *98 M 7.82 3.00 0.00 2.22 2.01 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 2.41 2.08 0.00 99 N 8.31 4.47 0.00 2.96 3.02 0.00 0.00 6.12 7.67 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 0.00 100 I 8.70 3.78 1.89 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 1.58 0.94 0.92 0.00 0.00 101 G 8.13 3.63 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 0.00 0.00 0.00 102 A 8.11 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.96 3.88 0.00 2.07 2.02 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 104 N 8.17 4.38 0.00 2.89 2.87 0.00 0.00 6.65 7.65 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 0.00 105 V 7.98 3.63 2.25 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 1.02 0.00 0.00 0.95 0.00 0.00 106 E 8.42 3.86 0.00 2.20 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 0.00 2.31 2.33 0.00 107 A 8.46 4.10 1.43 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 0.00 0.00 108 V 8.38 3.65 2.12 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 0.90 0.00 0.00 0.91 0.00 0.00 109 K 7.96 4.03 0.00 2.03 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.55 7.81 110 K 8.55 3.92 0.00 1.84 1.93 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.44 7.81 111 H 8.42 4.46 0.00 3.44 3.44 0.00 5.87 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 0.00 112 L 8.09 4.07 0.00 2.06 1.75 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.35 4.04 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 114 D 7.75 4.35 0.00 2.90 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 4.21 0.00 3.12 3.16 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 0.00 116 G 8.32 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 0.00 117 I 7.76 4.35 1.91 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 1.25 0.83 0.96 0.00 0.00 118 K 8.47 4.08 0.00 1.71 1.72 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 119 L 8.27 4.56 0.00 1.68 1.62 0.92 1.03 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 0.00 120 L 9.01 4.31 0.00 1.50 1.76 1.01 0.80 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 0.00 121 A 7.60 4.64 1.21 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 0.00 0.00 0.00 122 E 8.65 5.19 0.00 1.92 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 2.17 2.11 0.00 123 D 8.69 4.88 0.00 2.78 2.46 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 0.00 124 T 7.78 5.13 4.32 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 1.21 0.00 0.00 125 G 9.67 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 0.00 0.00 0.00 126 G 8.92 3.87 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 0.00 0.00 0.00 127 N 8.51 5.21 0.00 2.77 2.98 0.00 0.00 5.59 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 0.00 128 R 7.93 4.97 0.00 1.79 1.91 0.00 3.14 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 129 A 8.44 4.61 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.39 4.75 0.00 1.88 1.97 0.00 2.71 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 131 S 8.80 5.21 0.00 3.77 3.77 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 0.00 132 V 8.44 5.57 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 0.96 0.00 0.00 0.91 0.00 0.00 133 E 8.69 4.77 0.00 1.89 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 2.29 2.28 0.00 134 Y 8.79 5.02 0.00 2.96 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 0.00 135 N 8.82 4.87 0.00 2.72 2.56 0.00 0.00 6.61 8.68 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 0.00 136 I 8.02 3.29 1.80 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 1.27 0.66 0.88 0.00 0.00 137 E 8.28 4.14 0.00 2.06 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 0.00 2.26 2.43 0.00 138 T 7.76 4.25 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 1.17 0.00 0.00 139 G 8.11 3.57 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 0.00 0.00 0.00 140 K 7.33 4.57 0.00 1.80 1.63 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 141 L 8.69 5.09 0.00 1.91 1.61 0.94 0.74 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 0.00 142 L 9.13 4.33 0.00 1.84 1.75 0.95 0.60 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 0.00 143 V 9.30 4.73 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 1.02 0.00 0.00 1.02 0.00 0.00 144 R 9.00 5.17 0.00 1.89 1.74 0.00 3.08 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 145 K 9.00 4.93 0.00 1.84 1.95 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.52 7.81 146 V 7.84 4.22 2.06 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 0.67 0.00 0.00 0.91 0.00 0.00 *152 L 7.53 4.27 0.00 1.60 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.44 5.38 0.00 2.08 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 2.29 2.45 0.00 154 I 7.64 5.27 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 1.40 0.85 0.91 0.00 0.00 155 K 9.05 4.76 0.00 1.79 1.89 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 156 E 8.60 5.01 0.00 1.81 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 2.21 2.29 0.00 157 I 8.28 4.13 1.89 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 1.13 0.96 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.