NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5363 8.3044 120.2868 55.2876 33.8528 173.9365 3 V 4.2288 8.0752 121.6344 59.8587 33.8408 172.8239 4 W 4.6226 9.1657 135.0000 57.4280 31.5699 174.9375 5 T 4.1508 8.2207 124.0846 61.5453 67.0314 172.5444 6 P 4.5364 0.0000 0.0000 63.1642 32.2634 175.5779 7 V 4.0613 7.4393 119.6534 62.5690 32.7828 175.3302 8 N 4.2677 8.7073 125.5859 54.9464 35.9596 173.3861 9 N 5.0392 7.5680 108.3124 52.9747 40.1920 174.1761 10 K 4.1278 8.3841 116.1558 56.4862 32.7358 176.5864 11 M 4.9915 8.3635 120.9853 53.9788 35.1193 175.3963 12 F 4.5642 8.3856 116.9275 57.1925 41.1266 176.5835 13 E 3.5067 8.4265 121.4286 57.0339 27.6771 175.2365 14 T 3.8113 8.3776 121.7555 66.6043 68.9253 174.2300 15 F 4.5496 9.0393 124.1916 57.5803 36.8197 176.5735 16 S 4.4352 8.1773 114.8367 60.6690 62.9597 174.6144 17 Y 4.3376 8.3397 117.0687 58.3371 38.1159 174.9591 18 L 4.7173 7.5831 120.0674 52.0237 43.7778 174.4587 19 P 4.4212 0.0000 0.0000 62.0347 31.7626 175.0489 20 P 4.3458 0.0000 0.0000 62.6126 31.8198 176.3969 21 L 4.0155 8.3125 122.4703 54.5363 42.1381 177.9941 22 T 4.1601 8.2353 114.3431 61.3922 70.9461 175.0698 23 D 4.3433 8.5257 120.9090 57.4919 40.7837 178.6974 24 E 3.9435 8.0926 119.4342 59.2903 29.7624 178.7656 25 Q 3.9299 7.9186 117.9341 58.7089 28.7970 178.5424 26 I 3.7268 7.9611 120.7819 64.3996 37.1420 178.2948 27 A 4.0642 8.2371 121.4015 55.1658 18.2638 179.5781 28 A 3.9718 8.0379 119.3065 55.3746 18.4087 179.9230 29 Q 4.1139 8.1079 116.5789 59.0596 28.7709 179.1076 30 V 3.7531 8.1427 119.4373 66.1001 31.5690 177.7202 31 D 4.4307 8.4413 118.8505 57.5462 40.5928 178.2517 32 Y 4.1401 8.1124 119.6379 60.7277 38.9077 177.9385 33 I 3.9308 7.9794 120.7860 64.6701 37.3285 178.6259 34 V 3.5179 7.8823 118.5255 65.9743 31.1927 177.7989 35 A 3.9171 8.0882 119.6719 54.7367 18.2190 178.3610 36 N 4.0710 7.1326 111.7568 52.1203 38.6931 175.7889 37 G 3.7832 7.3510 108.2527 46.0264 0.0000 174.0794 38 W 4.9481 7.5125 118.7391 56.1355 30.6507 176.1562 39 I 4.4074 8.7459 122.9821 59.5217 37.9802 174.0537 40 P 4.9039 0.0000 0.0000 62.9036 32.7948 175.1128 41 C 4.9971 8.9982 121.5509 58.3781 35.6404 172.4360 42 L 5.3355 8.7427 123.2960 53.1674 44.5358 175.2312 43 E 5.6555 9.2861 121.1396 54.8832 34.0785 174.6176 44 F 5.6672 9.1923 116.3578 55.8244 42.1667 173.0764 45 A 4.5339 8.3209 120.2343 50.1784 22.5974 176.2451 46 E 4.2825 8.6386 118.7481 55.7062 30.6226 177.6345 47 A 4.2902 8.8895 123.0198 55.9265 18.3594 179.7276 48 D 4.5462 8.1597 112.9204 56.2517 41.0694 177.1386 49 K 4.6000 8.0150 117.4844 56.0448 32.6061 176.7368 50 A 3.8978 7.6353 124.1054 53.7024 19.1361 178.2139 51 Y 4.6417 7.4539 111.3044 55.5744 40.1800 175.7271 52 V 3.7989 8.3478 122.1173 63.9230 31.9295 175.2740 53 S 4.7696 9.0116 119.7196 57.5714 66.3885 173.7598 54 N 5.1818 8.5629 114.4293 52.6293 39.6243 176.3751 55 E 3.9587 8.3552 118.8602 59.8973 29.3518 179.2650 56 S 3.9726 8.8150 115.5529 60.7257 62.8025 176.1654 57 A 2.5800 7.6243 123.2063 53.6493 17.7248 179.0383 58 I 3.5263 6.9426 116.8923 63.8350 38.0077 177.1776 59 R 4.2465 7.5492 116.4165 55.9057 30.5422 176.3630 60 F 5.0225 7.2518 118.0640 56.0573 41.0930 177.4547 61 G 3.9939 8.2307 116.1359 46.2246 0.0000 175.2874 62 S 4.5999 8.4305 113.8039 58.5236 62.0187 174.4195 63 V 4.4560 7.2369 107.1099 61.1642 33.2106 177.6863 64 S 4.5029 8.2106 115.2915 59.6068 63.6247 173.5229 65 C 4.0013 8.1015 118.9828 61.5975 27.9736 173.2022 66 L 3.6057 8.4570 123.0960 55.6307 38.9611 173.1517 67 Y 4.4225 7.7757 119.5910 55.8902 40.0759 174.6324 68 Y 4.8693 7.2540 123.4275 56.2760 42.2787 174.8199 69 D 4.4589 8.8743 123.9002 55.4958 41.6258 176.8002 70 N 4.6459 8.8895 116.7047 54.2190 35.9083 176.0415 71 R 3.9790 7.9828 118.7807 59.2661 30.4190 177.1631 72 Y 4.3849 7.7088 114.6678 57.9671 38.3825 175.2429 73 W 5.0755 8.6954 124.4233 55.4901 32.5895 174.5748 74 T 4.3536 8.1454 116.9686 62.6439 69.7289 174.4351 75 M 4.6675 8.4783 126.1516 55.1930 33.1957 175.2486 76 W 4.7954 9.5805 135.0000 56.2197 31.2378 176.9238 77 K 3.4086 8.5387 129.0421 57.6188 30.6299 177.9948 78 L 4.9265 8.2450 125.5610 52.6374 45.0223 173.9875 79 P 4.3670 0.0000 0.0000 63.2876 32.2837 177.6811 80 M 4.3034 8.6327 123.5344 53.6870 30.4158 175.5893 81 F 4.4917 7.3949 118.5834 58.8468 39.9973 176.3860 82 G 3.9638 9.1270 112.4407 45.7430 0.0000 172.8398 83 C 4.3297 7.9030 120.3893 59.3051 31.7855 173.2704 84 R 4.5213 8.6509 123.7975 55.5481 31.1949 174.4045 85 D 4.8475 7.8180 118.7621 51.6634 42.4879 174.7119 86 P 4.3082 0.0000 0.0000 65.9799 31.2477 178.5315 87 M 4.1210 8.2663 117.4380 58.3050 31.9313 178.4803 88 Q 3.9709 7.9144 119.9562 59.0701 29.2127 178.6417 89 V 3.6131 7.6439 118.7231 66.0740 31.7446 177.7496 90 L 4.0277 7.9766 118.7167 58.0413 41.4702 179.8218 91 R 3.9766 8.3017 118.0386 59.3136 29.9292 179.0049 92 E 4.1617 8.1756 118.1165 59.1863 29.4545 179.3629 93 I 3.5341 7.8079 120.1012 64.1880 37.1787 178.5049 94 V 3.4721 7.6998 118.7580 65.9616 31.3762 177.8939 95 A 3.9474 7.9466 120.3874 55.1837 18.2243 179.1824 96 C 2.0000 7.6832 117.6444 62.0889 31.3700 175.9884 97 T 3.7123 7.4853 111.2277 64.4523 67.9594 176.3492 98 K 3.8270 7.6974 121.7350 59.2151 32.2936 178.4368 99 A 3.9907 7.5724 120.2026 53.3958 19.7117 177.6147 100 F 4.7167 7.7703 115.9278 55.0606 39.0210 173.9450 101 P 4.5150 0.0000 0.0000 64.0090 31.9493 177.8623 102 D 4.6785 8.0683 116.7652 53.9024 41.3365 175.4640 103 A 4.7779 7.3492 121.3072 50.4910 21.1323 177.1343 104 Y 4.2051 8.5388 117.9579 57.9159 39.4061 175.2565 105 V 5.2333 9.0197 123.4113 61.1223 35.0788 174.2885 106 R 5.0109 9.5039 124.0739 54.2573 32.9349 173.9677 107 L 4.7674 8.1206 123.5056 53.9502 43.7758 175.7060 108 V 4.7895 8.6864 118.3532 59.4756 36.3722 174.1724 109 A 4.9218 8.0369 121.7050 50.4248 22.8278 175.1426 110 F 5.2683 9.0771 119.5407 55.7249 42.5693 174.1059 111 D 5.3035 8.9852 123.1141 52.7768 42.2658 176.6708 112 N 4.7302 9.1651 123.0340 54.2849 38.3856 176.3235 113 Q 4.2043 8.7662 118.8515 58.8479 29.0570 177.5914 114 K 4.0262 8.3050 114.7670 57.0901 32.9215 176.6024 115 Q 3.4282 8.0565 118.1585 55.9027 26.9576 172.5696 116 V 4.4934 7.8335 117.5458 60.0193 35.0013 174.1041 117 Q 4.3866 8.7493 123.2814 56.4997 29.2935 175.5011 118 I 4.1856 8.2058 125.3078 61.3735 39.6659 174.5300 119 M 4.6950 6.8632 117.6382 53.9773 34.7356 173.8178 120 G 4.8519 8.2698 107.0269 47.1155 0.0000 172.3248 121 F 5.0577 7.1326 116.8478 55.3433 41.1573 172.8568 122 L 4.5192 8.8200 122.8472 55.5326 42.0239 176.7615 123 V 4.5017 8.8917 118.3507 61.5691 34.0651 175.7704 124 Q 4.6142 7.8435 121.1926 54.3135 32.5011 173.3594 125 R 4.3342 8.1621 121.7616 52.9398 32.4992 173.5822 126 P 4.1758 0.0000 0.0000 62.7920 31.6769 177.5631 127 K 4.1017 8.4661 119.9536 59.1418 32.1196 178.0182 128 T 4.1612 7.7527 106.8911 62.0539 69.3962 174.7722 129 A 4.2774 7.8814 126.9565 52.8214 18.6852 177.4058 130 R 4.6184 8.8061 120.1680 55.8929 31.6906 175.4762 131 D 4.9257 8.4604 116.6651 52.7471 39.7837 175.4794 132 F 5.2965 7.7232 113.1341 55.4617 41.0066 173.7646 133 Q 4.3902 8.3489 120.5651 53.0953 30.7868 174.1849 134 P 4.4552 0.0000 0.0000 62.4221 32.2775 176.9245 135 A 3.9681 8.9516 123.5181 55.6885 18.1021 179.5623 136 N 4.5844 8.1179 109.3814 54.3368 37.6865 175.5519 137 K 4.4574 7.8248 117.9863 56.3549 32.7020 177.4265 138 R 3.5770 7.6271 121.9523 57.8245 30.1167 176.7144 139 S 5.1030 7.4672 109.9542 56.3748 66.1454 174.2245 140 V 3.9971 8.5623 114.2613 61.7761 32.3108 175.6041 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 2 M 8.30 4.54 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.08 4.23 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 9.17 4.62 0.00 3.47 3.04 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 5 T 8.22 4.15 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 1.01 0.00 0.00 6 P 0.00 4.54 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 7 V 7.44 4.06 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.71 4.27 0.00 2.90 2.87 0.00 0.00 6.82 8.00 0.00 0.00 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 N 7.57 5.04 0.00 2.64 2.67 0.00 0.00 7.30 6.68 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 10 K 8.38 4.13 0.00 1.97 1.61 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.24 1.27 7.81 11 M 8.36 4.99 0.00 2.11 2.13 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 2.50 2.66 0.00 12 F 8.39 4.56 0.00 3.11 3.07 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 13 E 8.43 3.51 0.00 2.13 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 2.19 2.13 0.00 14 T 8.38 3.81 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 0.17 0.00 0.00 15 F 9.04 4.55 0.00 3.30 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.44 0.00 4.15 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 17 Y 8.34 4.34 0.00 3.03 3.21 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 18 L 7.58 4.72 0.00 1.86 1.61 0.90 1.04 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 19 P 0.00 4.42 0.00 2.03 2.00 0.00 3.70 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 2.03 2.14 0.00 20 P 0.00 4.35 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 21 L 8.31 4.02 0.00 1.60 1.51 0.31 0.53 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 22 T 8.24 4.16 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 D 8.53 4.34 0.00 2.70 2.76 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 24 E 8.09 3.94 0.00 2.01 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 2.35 2.39 0.00 25 Q 7.92 3.93 0.00 2.31 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 7.96 3.73 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.05 1.08 0.00 0.00 27 A 8.24 4.06 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 28 A 8.04 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 29 Q 8.11 4.11 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.38 1.86 0.00 30 V 8.14 3.75 2.31 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 1.15 0.00 0.00 1.10 0.00 0.00 31 D 8.44 4.43 0.00 2.99 2.76 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 32 Y 8.11 4.14 0.00 3.24 3.33 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 33 I 7.98 3.93 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.34 1.10 0.00 0.00 34 V 7.88 3.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 35 A 8.09 3.92 1.20 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 0.00 0.00 36 N 7.13 4.07 0.00 1.44 1.42 0.00 0.00 7.03 8.84 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 37 G 7.35 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 38 W 7.51 4.95 0.00 3.37 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 39 I 8.75 4.41 2.11 0.00 0.00 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 1.48 0.85 0.75 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.98 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 C 9.00 5.00 0.00 3.06 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 42 L 8.74 5.34 0.00 1.85 1.62 0.88 0.79 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 43 E 9.29 5.66 0.00 2.03 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 0.00 2.37 2.32 0.00 44 F 9.19 5.67 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.32 4.53 -0.22 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 46 E 8.64 4.28 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.89 4.29 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.16 4.55 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.01 4.60 0.00 1.60 1.66 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.42 7.81 50 A 7.64 3.90 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.45 4.64 0.00 2.91 2.76 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 52 V 8.35 3.80 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 0.64 0.00 0.00 0.75 0.00 0.00 53 S 9.01 4.77 0.00 4.08 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 54 N 8.56 5.18 0.00 2.77 2.85 0.00 0.00 6.55 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 55 E 8.36 3.96 0.00 2.15 2.24 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 2.39 2.38 0.00 56 S 8.81 3.97 0.00 4.01 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 57 A 7.62 2.58 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.94 3.53 1.78 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 1.48 0.81 0.84 0.00 0.00 59 R 7.55 4.25 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 60 F 7.25 5.02 0.00 3.02 2.78 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 61 G 8.23 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 0.00 0.00 0.00 62 S 8.43 4.60 0.00 3.86 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 63 V 7.24 4.46 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 0.66 0.00 0.00 0.46 0.00 0.00 64 S 8.21 4.50 0.00 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.10 4.00 0.00 2.96 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 66 L 8.46 3.61 0.00 1.78 1.76 0.94 0.99 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 67 Y 7.78 4.42 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.25 4.87 0.00 2.81 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 69 D 8.87 4.46 0.00 2.79 2.66 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 70 N 8.89 4.65 0.00 3.07 3.25 0.00 0.00 6.99 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 71 R 7.98 3.98 0.00 1.52 1.69 0.00 3.08 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 72 Y 7.71 4.38 0.00 3.06 2.86 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 73 W 8.70 5.08 0.00 3.09 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 74 T 8.15 4.35 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 75 M 8.48 4.67 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.79 0.00 76 W 9.58 4.80 0.00 3.66 3.30 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 77 K 8.54 3.41 0.00 1.68 0.79 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.82 0.21 7.81 78 L 8.24 4.93 0.00 1.60 1.58 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.37 0.00 0.76 1.86 0.00 3.61 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 1.96 2.15 0.00 80 M 8.63 4.30 0.00 2.05 2.01 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 2.62 2.54 0.00 81 F 7.39 4.49 0.00 3.11 2.98 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 82 G 9.13 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 0.00 0.00 0.00 83 C 7.90 4.33 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.65 4.52 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 85 D 7.82 4.85 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.27 4.12 0.00 2.08 2.27 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 2.63 2.71 0.00 88 Q 7.91 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.64 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 7.98 4.03 0.00 1.91 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.30 3.98 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.18 4.16 0.00 2.25 2.18 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 2.62 2.65 0.00 93 I 7.81 3.53 1.99 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 1.34 1.05 0.85 0.00 0.00 94 V 7.70 3.47 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 7.95 3.95 1.53 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 96 C 7.68 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.49 3.71 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 98 K 7.70 3.83 0.00 1.82 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 99 A 7.57 3.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.77 4.72 0.00 2.82 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 0.00 101 P 0.00 4.51 0.00 2.12 2.11 0.00 3.26 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.07 4.68 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 0.00 103 A 7.35 4.78 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 0.00 104 Y 8.54 4.21 0.00 2.60 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.02 5.23 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 1.03 0.00 0.00 0.95 0.00 0.00 106 R 9.50 5.01 0.00 1.83 1.90 0.00 2.30 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.32 0.00 107 L 8.12 4.77 0.00 1.51 0.75 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.69 4.79 1.60 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 0.50 0.00 0.00 0.53 0.00 0.00 109 A 8.04 4.92 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 0.00 0.00 110 F 9.08 5.27 0.00 2.97 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 0.00 111 D 8.99 5.30 0.00 2.39 2.47 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 0.00 0.00 0.00 0.00 112 N 9.17 4.73 0.00 2.94 3.05 0.00 0.00 6.31 7.39 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 0.00 113 Q 8.77 4.20 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.05 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 114 K 8.31 4.03 0.00 1.76 1.87 0.00 2.10 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.06 3.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.83 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.39 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 118 I 8.21 4.19 1.20 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.28 -0.56 0.00 0.00 119 M 6.86 4.69 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 120 G 8.27 4.85 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 0.00 0.00 0.00 121 F 7.13 5.06 0.00 3.23 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 0.00 122 L 8.82 4.52 0.00 1.62 1.62 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.89 4.50 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 0.71 0.00 0.00 0.93 0.00 0.00 124 Q 7.84 4.61 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 125 R 8.16 4.33 0.00 1.26 1.52 0.00 2.21 0.00 0.00 2.81 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.26 0.00 126 P 0.00 4.18 0.00 2.10 2.17 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 127 K 8.47 4.10 0.00 1.74 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 128 T 7.75 4.16 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 1.21 0.00 0.00 129 A 7.88 4.28 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.62 0.00 1.79 1.88 0.00 3.34 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 131 D 8.46 4.93 0.00 2.90 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 0.00 132 F 7.72 5.30 0.00 3.21 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 0.00 133 Q 8.35 4.39 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 134 P 0.00 4.46 0.00 2.36 2.18 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 135 A 8.95 3.97 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 0.00 136 N 8.12 4.58 0.00 2.83 2.95 0.00 0.00 5.86 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.82 4.46 0.00 1.61 1.71 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.30 7.81 138 R 7.63 3.58 0.00 1.51 0.66 0.00 3.14 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.43 0.00 139 S 7.47 5.10 0.00 4.07 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 0.00 140 V 8.56 4.00 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 0.61 0.00 0.00 0.91 0.00 0.00