NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4527 8.3349 115.4126 57.6394 64.0760 173.4922 2 K 3.9581 8.6263 125.5104 55.7779 32.4991 175.2400 3 T 4.2737 8.4594 116.0246 62.7358 69.6375 174.3841 4 N 4.5530 7.9379 120.5338 52.6676 40.1978 173.7131 5 P 4.2925 0.0000 0.0000 65.5539 31.5664 178.9517 6 R 3.9781 8.2503 117.2609 58.9305 29.9567 178.7305 7 L 4.0249 7.8324 119.8628 58.0885 42.0892 178.9613 8 S 4.1813 7.9156 115.3406 61.4442 62.6186 176.8156 9 S 4.1573 8.0060 117.7755 61.1735 62.5870 176.2812 10 L 3.8847 7.8998 123.0928 58.2473 41.8129 179.1531 11 I 3.6733 7.8937 119.4784 64.3853 37.1328 178.3602 12 A 4.0536 7.8173 121.7062 55.0532 18.2634 179.4667 13 D 4.2919 8.2230 117.8365 57.4062 40.8247 178.9492 14 L 3.9486 8.1902 119.7905 57.4655 41.6629 179.7700 15 K 4.0475 8.0850 118.7804 59.4128 32.0776 179.3083 16 S 4.1080 8.0479 113.0664 61.3655 62.2519 176.0797 17 A 4.1063 8.0456 122.8558 54.7689 17.9014 179.4777 18 A 4.2606 7.6846 119.1245 55.0323 18.5121 179.6666 19 R 4.1605 7.7066 115.2617 59.0914 30.5825 179.1080 20 S 4.2756 7.9603 113.5000 61.2417 63.6268 175.1941 21 S 4.6070 7.7860 116.6216 57.2512 64.2411 174.9069 22 G 3.8774 8.5484 108.0050 46.0375 0.0000 174.2585 23 G 3.6600 7.5974 108.2200 44.5673 0.0000 174.4097 24 A 4.5939 8.1273 122.3742 51.8930 20.7641 179.3222 25 V 3.3674 7.2717 116.7511 65.9701 31.7244 178.1271 26 W 4.7224 7.7711 118.1973 59.5913 29.0083 178.4127 27 G 3.7572 8.1495 105.2699 47.2163 0.0000 175.2544 28 D 4.3918 7.7472 119.7269 57.0637 41.2185 178.4532 29 V 3.7635 8.2217 118.8812 65.6523 31.6046 177.9341 30 A 4.0565 8.1081 120.6775 55.1594 17.9759 179.4922 31 E 3.9935 7.9527 116.0454 59.3058 29.2830 179.0646 32 R 4.1138 7.7375 117.4423 58.9083 29.9746 178.2463 33 L 3.9591 7.7862 117.8342 56.9733 41.7353 178.5359 34 E 4.2249 7.8712 117.1426 57.3732 29.7430 177.3154 35 K 4.2986 6.8618 117.0960 54.8516 33.1355 174.9635 36 P 4.3348 0.0000 0.0000 62.8913 32.0640 177.8625 37 R 3.5493 8.5988 119.9213 59.2813 30.1679 179.4800 38 R 3.9766 7.8653 113.2541 58.8679 29.5495 177.5022 39 T 4.1774 7.6228 107.1548 62.8626 69.3805 174.8256 40 H 4.4207 7.6927 119.4211 55.4922 29.5047 174.5596 41 A 4.2095 8.1540 123.1606 52.1104 19.4814 176.7398 42 E 4.9012 8.8005 121.7498 54.1401 30.7214 173.9812 43 V 4.3698 8.5532 123.4724 61.0710 34.0046 174.7384 44 N 5.3846 8.4761 124.3700 51.3944 40.6315 176.1905 45 L 4.1350 8.5234 119.9165 57.7863 41.4139 179.9863 46 G 3.7205 8.1701 104.8913 46.8672 0.0000 174.9444 47 R 4.0947 7.7337 120.6570 58.4805 30.4509 178.3016 48 I 3.8807 7.5631 119.4605 64.1424 37.0065 177.7409 49 E 3.9632 8.0807 119.5544 58.9988 29.4860 178.5979 50 R 3.8158 7.3066 117.7573 58.7852 30.2929 177.1408 51 Y 4.7312 7.5592 112.3911 56.9741 39.2076 175.6169 52 A 4.7005 7.4201 123.1160 50.7273 20.6222 176.2736 53 Q 4.7173 8.0925 116.5851 53.7963 31.7873 175.2752 54 E 4.0556 8.4957 118.0787 57.7139 30.0512 176.8790 55 D 4.5332 8.8184 118.9787 55.0891 38.4055 173.3888 56 E 4.6873 7.6738 119.8216 54.6006 32.2453 175.2360 57 T 4.2234 8.5273 124.8504 63.8078 69.8851 173.7985 58 V 4.4708 9.1139 127.3395 62.0690 33.1118 174.6192 59 V 4.7622 9.1745 128.9201 61.2789 33.2945 174.2661 60 V 4.7894 9.1484 129.3195 59.1107 32.8123 174.5450 61 P 4.6493 0.0000 0.0000 61.7778 32.3564 174.3806 62 G 4.2720 6.5795 114.2821 47.6111 0.0000 174.5797 63 K 5.0224 9.5677 127.0983 54.2470 35.5925 174.2298 64 V 4.6868 8.0913 126.4526 61.5997 33.1880 174.9251 65 L 4.8737 9.3998 128.4515 52.7895 44.8460 176.4572 66 G 4.1629 8.4308 105.9422 46.7356 0.0000 173.8270 67 S 4.4871 8.1924 117.2762 58.8552 64.3948 175.3132 68 G 4.1688 9.0002 110.0825 44.9516 0.0000 172.1011 69 V 4.3323 7.8645 117.2201 60.6408 33.4201 174.4830 70 L 4.8157 8.4053 127.3748 53.5537 43.9671 175.5913 71 Q 4.5075 9.4509 125.1191 56.4915 30.6846 176.8495 72 K 4.1043 8.1062 116.5030 56.6118 32.6602 177.0132 73 D 5.1819 8.4953 123.3660 52.6245 39.4448 175.0228 74 V 4.4363 7.5682 114.8061 59.7201 35.7580 175.7330 75 T 4.8593 8.3787 119.8413 62.3066 70.4062 173.5715 76 V 4.8694 8.7888 127.5568 61.2055 33.8012 174.1837 77 A 5.9400 9.9357 130.0761 49.6050 21.6110 175.0563 78 A 4.9055 8.3251 122.4439 50.4389 22.7366 177.0044 79 V 3.5954 8.2011 119.2306 66.1797 32.1522 175.6541 80 D 4.7071 7.3045 116.9037 53.3415 44.4501 174.1667 81 F 5.4326 8.6945 120.6588 55.5027 43.0293 175.0074 82 S 4.4363 8.9442 116.8384 57.7088 64.1251 175.4767 83 G 3.7043 8.8894 106.7995 48.5982 0.0000 176.0224 84 T 3.9891 7.9293 117.5095 65.8282 68.5073 176.7022 85 A 4.0160 8.0030 122.7569 55.3660 18.5382 179.2661 86 E 3.6708 8.2314 117.5683 59.5610 29.4868 179.3535 87 T 3.8161 7.6176 115.2839 66.6912 68.3982 177.0620 88 K 3.9794 8.0848 119.0790 59.2279 32.2109 179.3720 89 I 3.9257 7.9837 120.4630 64.4014 36.9640 178.0094 90 D 4.6020 7.6852 119.1116 56.2110 40.6098 178.3528 91 Q 4.1734 7.5173 117.9440 57.8497 29.0647 177.0796 92 V 4.5029 7.8326 110.8384 61.1261 35.0074 174.4405 93 G 4.0828 8.5718 111.3222 44.3573 0.0000 173.4116 94 E 4.9787 9.5268 126.0714 54.5008 33.2252 173.5777 95 A 4.6150 8.9199 129.7986 50.7476 19.7580 176.3485 96 V 4.5397 8.8740 123.1071 61.2406 34.9356 175.4432 97 S 5.0448 8.5858 120.7069 57.6993 63.6543 175.0491 98 L 4.0041 8.4589 123.9030 58.1965 40.1440 179.4322 99 E 3.9129 7.7798 117.5063 59.2380 29.2463 179.1001 100 Q 4.2378 8.0694 118.0491 58.6188 28.9081 178.2218 101 A 4.0322 7.9075 121.3176 55.2349 18.1516 179.5608 102 I 3.1016 6.8164 116.6833 63.7665 37.1051 177.7219 103 E 4.1229 7.1689 119.0718 58.9807 29.7122 177.9874 104 N 4.6587 8.3533 115.9297 54.9775 40.2606 175.2820 105 N 5.1353 8.3194 118.5238 51.2691 39.2748 172.7088 106 P 4.6126 0.0000 0.0000 65.1216 32.1523 178.3789 107 E 4.1325 8.4950 117.5903 56.4881 30.1352 176.2800 108 G 3.3525 7.9216 107.2366 46.2130 0.0000 173.6861 109 S 4.4535 8.3487 111.7715 57.7087 65.8534 173.8510 110 H 4.0121 8.4000 116.9241 56.8530 25.7864 174.3977 111 V 4.8632 7.1323 116.1497 59.8670 35.1217 176.4598 112 R 4.5141 9.0716 124.8141 54.4754 32.2471 174.6566 113 V 4.4582 8.3690 126.9746 62.4578 32.1828 175.0036 114 I 4.7615 8.8328 128.7975 59.3535 40.7446 176.1207 115 R 4.1762 8.3756 121.6573 56.4257 29.5139 174.8247 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 S 8.33 4.45 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.63 3.96 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.46 4.27 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 1.21 0.00 0.00 4 N 7.94 4.55 0.00 2.80 2.68 0.00 0.00 7.25 7.71 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 5 P 0.00 4.29 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.25 3.98 0.00 1.98 1.97 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 1.64 1.63 0.00 7 L 7.83 4.02 0.00 1.76 1.81 0.92 1.03 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 8 S 7.92 4.18 0.00 4.02 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 9 S 8.01 4.16 0.00 4.03 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 10 L 7.90 3.88 0.00 1.83 1.81 0.89 1.06 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 11 I 7.89 3.67 1.87 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 1.45 0.53 0.92 0.00 0.00 12 A 7.82 4.05 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 13 D 8.22 4.29 0.00 2.78 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 14 L 8.19 3.95 0.00 1.87 1.97 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.08 4.05 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 16 S 8.05 4.11 0.00 4.01 3.99 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 17 A 8.05 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.26 1.49 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 0.00 0.00 19 R 7.71 4.16 0.00 1.85 2.01 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 20 S 7.96 4.28 0.00 3.92 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 21 S 7.79 4.61 0.00 4.26 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 22 G 8.55 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 23 G 7.60 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.13 4.59 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 25 V 7.27 3.37 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 0.84 0.00 0.00 0.42 0.00 0.00 26 W 7.77 4.72 0.00 3.41 3.12 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 27 G 8.15 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 28 D 7.75 4.39 0.00 3.01 2.81 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 29 V 8.22 3.76 2.30 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 1.04 0.00 0.00 1.11 0.00 0.00 30 A 8.11 4.06 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 31 E 7.95 3.99 0.00 2.15 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 0.00 2.35 2.41 0.00 32 R 7.74 4.11 0.00 1.97 2.05 0.00 3.31 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.79 3.96 0.00 1.79 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.87 4.22 0.00 2.11 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 2.35 2.52 0.00 35 K 6.86 4.30 0.00 2.07 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.64 7.81 36 P 0.00 4.33 0.00 2.15 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.60 3.55 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 38 R 7.87 3.98 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.62 4.18 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 1.21 0.00 0.00 40 H 7.69 4.42 0.00 3.29 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.15 4.21 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 42 E 8.80 4.90 0.00 1.82 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 2.19 2.26 0.00 43 V 8.55 4.37 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.48 5.38 0.00 2.71 2.95 0.00 0.00 7.63 6.74 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 45 L 8.52 4.14 0.00 1.83 1.74 0.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.17 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.73 4.09 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 48 I 7.56 3.88 2.02 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 1.59 0.80 0.97 0.00 0.00 49 E 8.08 3.96 0.00 1.99 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 2.42 2.31 0.00 50 R 7.31 3.82 0.00 1.85 1.23 0.00 2.55 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.32 0.00 51 Y 7.56 4.73 0.00 3.04 2.92 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 52 A 7.42 4.70 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.09 4.72 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 54 E 8.50 4.06 0.00 2.06 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 2.54 2.34 0.00 55 D 8.82 4.53 0.00 2.82 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 E 7.67 4.69 0.00 2.00 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 2.23 2.30 0.00 57 T 8.53 4.22 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 1.36 0.00 0.00 58 V 9.11 4.47 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.17 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.19 0.00 0.00 60 V 9.15 4.79 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 1.02 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.65 0.00 2.23 2.23 0.00 3.95 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 62 G 6.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.57 5.02 0.00 1.70 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.31 7.81 64 V 8.09 4.69 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 1.07 0.00 0.00 0.80 0.00 0.00 65 L 9.40 4.87 0.00 1.78 1.56 0.93 -0.23 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 66 G 8.43 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 0.00 0.00 0.00 67 S 8.19 4.49 0.00 3.94 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 68 G 9.00 4.17 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 69 V 7.86 4.33 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.41 4.82 0.00 1.59 1.51 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.45 4.51 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.11 4.10 0.00 1.75 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.75 7.81 73 D 8.50 5.18 0.00 2.80 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 74 V 7.57 4.44 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 0.81 0.00 0.00 1.01 0.00 0.00 75 T 8.38 4.86 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 1.26 0.00 0.00 76 V 8.79 4.87 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.03 0.00 0.00 77 A 9.94 5.94 1.41 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 0.00 0.00 0.00 78 A 8.33 4.91 0.56 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 0.00 0.00 0.00 79 V 8.20 3.60 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.30 4.71 0.00 2.69 2.37 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 81 F 8.69 5.43 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.94 4.44 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.89 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 84 T 7.93 3.99 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 1.23 0.00 0.00 85 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 86 E 8.23 3.67 0.00 2.04 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 2.17 2.00 0.00 87 T 7.62 3.82 4.39 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 1.20 0.00 0.00 88 K 8.08 3.98 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 89 I 7.98 3.93 1.79 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 0.89 0.00 0.00 90 D 7.69 4.60 0.00 2.69 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 91 Q 7.52 4.17 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 92 V 7.83 4.50 2.21 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 0.92 0.00 0.00 1.02 0.00 0.00 93 G 8.57 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 0.00 0.00 0.00 94 E 9.53 4.98 0.00 2.00 1.73 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 2.15 2.22 0.00 95 A 8.92 4.62 0.56 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 0.00 0.00 0.00 96 V 8.87 4.54 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 1.09 0.00 0.00 0.94 0.00 0.00 97 S 8.59 5.04 0.00 4.12 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 98 L 8.46 4.00 0.00 1.89 1.65 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.78 3.91 0.00 2.12 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 2.29 2.32 0.00 100 Q 8.07 4.24 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.91 4.03 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 0.00 102 I 6.82 3.10 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.22 0.62 0.00 0.00 103 E 7.17 4.12 0.00 1.98 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 0.00 2.29 2.31 0.00 104 N 8.35 4.66 0.00 2.76 2.90 0.00 0.00 6.74 8.05 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 0.00 105 N 8.32 5.14 0.00 2.89 3.07 0.00 0.00 6.85 6.99 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 0.00 106 P 0.00 4.61 0.00 2.30 2.31 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 107 E 8.49 4.13 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 108 G 7.92 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.35 4.45 0.00 3.96 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 0.00 110 H 8.40 4.01 0.00 3.32 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.13 4.86 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 0.43 0.00 0.00 0.87 0.00 0.00 112 R 9.07 4.51 0.00 2.03 1.82 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.37 4.46 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 0.82 0.00 0.00 0.87 0.00 0.00 114 I 8.83 4.76 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.18 0.98 0.00 0.00 115 R 8.38 4.18 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00