NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4414 8.3349 115.4131 58.0469 63.7860 173.2399 2 K 4.0419 7.7607 123.5095 57.1947 33.1853 175.7928 3 T 4.2280 8.4167 117.2046 65.1586 70.9847 175.1880 4 N 4.3962 7.9449 120.2760 52.9987 39.7844 173.5507 5 P 4.3036 0.0000 0.0000 65.4868 31.3694 179.0308 6 R 3.8979 8.5051 117.3701 59.2217 30.2433 178.7070 7 L 3.9340 8.1118 119.5666 58.1618 41.9274 178.8181 8 S 4.1321 8.0725 113.2594 61.3222 62.2995 176.3291 9 S 4.1426 7.9031 117.5564 61.2469 62.5301 176.1375 10 L 3.8973 8.2222 123.4823 58.4065 41.6196 179.2575 11 I 3.6944 7.7232 118.9890 64.1085 36.9848 178.3402 12 A 3.9908 7.7406 121.4556 55.3244 18.2493 179.4809 13 D 4.2859 8.6927 117.7671 57.4644 40.6701 179.0361 14 L 3.9162 8.2099 119.6928 57.3762 41.5295 179.6516 15 K 4.0849 7.7529 118.8068 59.0751 32.2389 179.1197 16 S 4.0936 8.0966 113.2891 61.4069 62.3024 176.1911 17 A 4.0369 8.0469 123.1897 55.1951 17.9265 179.5393 18 A 4.2786 7.7692 118.2246 55.1257 18.5222 179.5664 19 R 4.1602 8.0907 115.5173 58.2269 30.3971 178.2766 20 S 4.5751 7.9405 113.5579 58.7770 64.0319 174.3201 21 S 4.7026 8.2179 116.9990 56.7005 65.2091 174.1861 22 G 3.9238 8.3837 109.7901 45.7841 0.0000 173.3069 23 G 4.1062 7.6534 105.5428 43.5141 0.0000 172.1287 24 A 4.5919 7.9228 119.3436 51.4372 21.3459 179.2477 25 V 3.4705 7.5944 109.2702 64.2700 31.4886 178.3298 26 W 5.1154 7.7282 118.2780 60.1976 29.0672 178.7709 27 G 3.6685 8.2305 104.6997 47.3158 0.0000 175.2381 28 D 4.3051 8.0442 120.6689 57.4469 41.3363 178.5159 29 V 3.6574 8.9196 119.7023 65.6597 31.5827 177.9270 30 A 4.0014 8.2424 121.0084 55.2544 18.0577 179.5041 31 E 4.2404 7.8964 117.0662 58.8852 29.8738 179.2485 32 R 4.0865 7.7560 119.0201 59.1586 29.9670 178.4164 33 L 3.8545 7.7815 117.8442 57.2507 41.9342 178.8415 34 E 4.1768 8.1617 118.2603 57.7755 29.3037 177.3842 35 K 4.3574 7.0581 117.3853 54.9894 33.0214 174.9865 36 P 4.3099 0.0000 0.0000 62.8332 32.0797 177.7225 37 R 3.5170 8.7977 121.3875 59.4303 30.0876 179.1272 38 R 3.9977 7.9208 112.5028 58.7244 29.4392 177.4520 39 T 4.2185 7.9353 108.0831 63.0137 69.5152 175.0870 40 H 4.2794 7.7354 119.1945 55.7438 29.4171 174.8484 41 A 4.1885 8.3504 123.5371 52.3782 19.6708 176.6319 42 E 4.8396 8.6576 119.8535 54.3592 31.1309 173.7081 43 V 4.3736 8.5689 123.6002 61.0301 34.0473 174.5245 44 N 5.3244 8.5078 124.3017 51.5797 40.3442 176.0679 45 L 4.0981 8.7653 120.8715 58.1599 41.7086 179.9730 46 G 3.7314 7.8836 105.6428 47.8248 0.0000 175.4123 47 R 3.9966 8.0275 120.4781 58.8508 30.1808 178.5946 48 I 3.7965 7.5624 119.4532 64.2935 37.0213 177.7679 49 E 3.9486 8.1338 119.0763 58.9580 29.4429 178.2805 50 R 3.9857 7.1256 117.0493 57.5766 30.2681 176.2029 51 Y 4.8325 7.3265 112.5642 57.3457 39.2981 175.2135 52 A 4.7072 7.9393 123.4447 50.9611 20.6222 176.8509 53 Q 4.5967 8.0855 116.0371 54.0763 31.6890 174.6446 54 E 3.9904 8.7204 119.9342 58.1664 29.9741 177.0422 55 D 4.3636 8.8225 118.9054 54.6992 38.6883 173.2918 56 E 4.5868 7.6814 120.5550 54.2240 31.4374 175.7533 57 T 4.1523 8.2568 124.5942 64.1427 69.7933 173.7979 58 V 4.4567 8.7185 127.1092 62.2111 33.3080 174.7088 59 V 4.8597 9.1497 127.8129 61.1717 34.2220 174.1461 60 V 4.8445 9.2978 128.9917 59.0987 33.1892 174.4429 61 P 4.6165 0.0000 0.0000 61.4994 30.6363 176.6607 62 G 3.8903 7.6407 114.6631 47.2874 0.0000 174.6265 63 K 4.9871 9.5081 126.6983 54.2614 35.8488 174.2959 64 V 4.7099 8.2415 126.1663 61.5779 33.4685 174.7504 65 L 5.0393 9.4993 128.3080 52.7506 44.8353 177.1371 66 G 4.0210 8.6566 106.6119 47.2021 0.0000 174.1352 67 S 4.3737 8.3556 117.4576 59.3368 64.3499 175.4825 68 G 3.8493 8.8903 109.9673 44.6448 0.0000 172.2574 69 V 4.3375 7.9750 116.9708 60.6686 33.8873 174.5484 70 L 4.8356 8.5358 128.3312 53.4590 43.8465 175.2543 71 Q 4.4919 9.4386 124.5483 56.9573 31.0628 176.8594 72 K 3.9302 8.2215 115.7087 57.0775 32.5784 176.8741 73 D 5.5098 8.3651 122.8467 52.7461 40.2926 174.8541 74 V 4.5531 7.9089 115.7250 59.1894 36.4493 174.3065 75 T 4.7968 8.4051 119.4846 62.4852 70.1975 173.7278 76 V 4.8546 8.9208 127.8264 61.2101 33.8136 174.1831 77 A 5.9400 9.7233 129.8975 49.6835 20.9245 175.1301 78 A 5.0602 8.4147 122.6780 49.0727 22.8230 176.7870 79 V 3.6174 8.3258 119.4289 66.2102 32.0725 175.6519 80 D 4.6867 7.2304 116.5981 53.4856 44.4431 174.2031 81 F 5.4084 8.8383 120.4772 55.4177 42.8845 175.1689 82 S 4.3805 8.9459 116.8081 57.9828 64.1932 175.4984 83 G 3.7330 8.9610 107.3883 48.4591 0.0000 176.0050 84 T 3.8861 7.9249 117.6812 66.2110 68.5436 175.9629 85 A 4.0266 7.8379 122.2656 55.7614 18.3909 179.3387 86 E 3.7002 8.4535 116.9086 59.3801 29.3213 179.4559 87 T 3.8432 7.3017 115.3430 66.5181 68.8558 176.5595 88 K 4.4133 8.1632 121.8911 58.9399 32.0098 179.4322 89 I 3.7253 7.9096 119.9157 64.6997 36.9153 178.2756 90 D 4.4573 7.6270 117.4098 57.1984 40.6054 178.9398 91 Q 4.1172 7.7648 118.9746 58.7425 28.8399 178.2815 92 V 4.3669 7.5047 110.4702 61.4071 33.4656 175.1567 93 G 4.1194 7.7276 112.8379 44.9750 0.0000 175.9628 94 E 5.0531 9.4525 125.4090 54.6264 33.3529 172.0415 95 A 5.0212 8.7247 127.9194 50.1508 20.9302 176.0814 96 V 4.6052 9.1881 122.3000 60.9791 35.7722 174.5446 97 S 5.2647 8.5370 119.2680 57.3692 64.6294 175.1102 98 L 3.8542 8.2606 120.8565 58.0300 41.0594 179.9967 99 E 3.8425 7.6402 118.5598 59.2146 29.2454 179.3349 100 Q 3.9570 8.2803 118.0695 58.8851 28.7832 178.0475 101 A 4.0444 8.0407 121.2656 55.7017 18.0732 179.4863 102 I 3.0852 7.2392 116.5643 64.3490 37.0987 178.0066 103 E 4.0974 7.4313 117.8946 58.9311 29.5933 177.6069 104 N 4.7794 8.1297 113.8842 52.6096 40.1792 174.9906 105 N 4.7619 7.8203 115.4432 52.2236 41.2671 173.5345 106 P 4.7058 0.0000 0.0000 66.1101 31.8745 178.1093 107 E 4.1055 8.4409 116.6734 56.9000 30.1227 176.5412 108 G 3.4595 8.4519 107.6709 46.2814 0.0000 172.3138 109 S 4.5474 8.3450 112.1613 57.1767 66.3096 174.6367 110 H 4.0153 8.3553 115.6550 56.4900 25.6247 174.1135 111 V 4.7408 7.1222 116.5977 59.9907 35.2060 175.9122 112 R 4.5292 9.1840 124.3762 54.4625 32.2876 174.6986 113 V 4.4185 8.3938 127.0064 62.7313 32.0840 175.1259 114 I 4.8645 8.9735 128.3638 59.4924 41.3251 175.9495 115 R 4.1752 8.3729 120.9610 56.5749 29.3392 174.7580 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 4.44 0.00 3.99 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 2 K 7.76 4.04 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.42 4.23 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 4.40 0.00 2.75 2.72 0.00 0.00 7.22 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 4.30 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.94 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 8.51 3.90 0.00 1.95 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.11 3.93 0.00 1.75 1.83 0.93 0.71 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 8 S 8.07 4.13 0.00 4.09 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 9 S 7.90 4.14 0.00 4.05 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 10 L 8.22 3.90 0.00 1.69 1.82 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.72 3.69 2.02 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 0.97 0.91 0.00 0.00 12 A 7.74 3.99 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 8.69 4.29 0.00 2.69 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 14 L 8.21 3.92 0.00 1.89 1.90 0.90 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 15 K 7.75 4.08 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 16 S 8.10 4.09 0.00 4.01 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 17 A 8.05 4.04 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 18 A 7.77 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.09 4.16 0.00 1.83 2.02 0.00 3.17 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 20 S 7.94 4.58 0.00 3.95 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 21 S 8.22 4.70 0.00 4.18 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 22 G 8.38 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 0.00 0.00 0.00 23 G 7.65 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 0.00 0.00 0.00 0.00 24 A 7.92 4.59 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 25 V 7.59 3.47 1.68 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 0.61 0.00 0.00 -0.33 0.00 0.00 26 W 7.73 5.12 0.00 3.34 3.23 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 27 G 8.23 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.04 4.31 0.00 3.06 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 29 V 8.92 3.66 2.49 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 1.02 0.00 0.00 1.12 0.00 0.00 30 A 8.24 4.00 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 31 E 7.90 4.24 0.00 2.15 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 0.00 2.36 2.31 0.00 32 R 7.76 4.09 0.00 1.87 2.05 0.00 3.16 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 1.61 1.65 0.00 33 L 7.78 3.85 0.00 1.65 1.68 0.89 0.84 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 34 E 8.16 4.18 0.00 2.25 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 2.34 2.46 0.00 35 K 7.06 4.36 0.00 2.08 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 P 0.00 4.31 0.00 2.16 1.96 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.80 3.52 0.00 1.79 1.93 0.00 3.10 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 38 R 7.92 4.00 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.94 4.22 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 1.22 0.00 0.00 40 H 7.74 4.28 0.00 3.27 3.26 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 8.35 4.19 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 42 E 8.66 4.84 0.00 1.81 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 0.00 2.20 2.44 0.00 43 V 8.57 4.37 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.51 5.32 0.00 2.70 2.92 0.00 0.00 7.61 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 8.77 4.10 0.00 1.84 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.88 3.73 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 0.00 0.00 0.00 47 R 8.03 4.00 0.00 1.95 1.97 0.00 3.21 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 48 I 7.56 3.80 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.96 0.00 0.00 49 E 8.13 3.95 0.00 1.97 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 2.41 2.30 0.00 50 R 7.13 3.99 0.00 1.75 1.27 0.00 2.35 0.00 0.00 2.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.32 0.00 51 Y 7.33 4.83 0.00 2.99 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 52 A 7.94 4.71 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 53 Q 8.09 4.60 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 54 E 8.72 3.99 0.00 1.98 1.95 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 2.61 2.36 0.00 55 D 8.82 4.36 0.00 2.83 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 56 E 7.68 4.59 0.00 1.90 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 2.22 2.27 0.00 57 T 8.26 4.15 4.31 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 1.34 0.00 0.00 58 V 8.72 4.46 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.15 4.86 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 1.18 0.00 0.00 1.13 0.00 0.00 60 V 9.30 4.84 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 0.90 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.62 0.00 2.09 2.14 0.00 4.03 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 62 G 7.64 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 0.00 0.00 0.00 63 K 9.51 4.99 0.00 1.73 1.56 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.24 4.71 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 1.05 0.00 0.00 0.77 0.00 0.00 65 L 9.50 5.04 0.00 1.65 1.54 0.93 0.76 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 66 G 8.66 4.02 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 0.00 0.00 0.00 67 S 8.36 4.37 0.00 4.07 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 8.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.98 4.34 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.54 4.84 0.00 1.61 1.53 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.44 4.49 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.22 3.93 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.78 7.81 73 D 8.37 5.51 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.91 4.55 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 0.80 0.00 0.00 1.01 0.00 0.00 75 T 8.41 4.80 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 1.27 0.00 0.00 76 V 8.92 4.85 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 0.97 0.00 0.00 1.02 0.00 0.00 77 A 9.72 5.94 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 78 A 8.41 5.06 0.45 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 79 V 8.33 3.62 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 0.70 0.00 0.00 0.94 0.00 0.00 80 D 7.23 4.69 0.00 2.78 2.38 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 81 F 8.84 5.41 0.00 2.83 2.94 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 82 S 8.95 4.38 0.00 3.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.96 3.73 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 0.00 0.00 0.00 84 T 7.92 3.89 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 85 A 7.84 4.03 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 86 E 8.45 3.70 0.00 1.95 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 2.17 2.03 0.00 87 T 7.30 3.84 4.42 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 1.20 0.00 0.00 88 K 8.16 4.41 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 89 I 7.91 3.73 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.92 0.00 0.00 90 D 7.63 4.46 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.76 4.12 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 92 V 7.50 4.37 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 0.73 0.00 0.00 0.99 0.00 0.00 93 G 7.73 4.12 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 0.00 0.00 0.00 94 E 9.45 5.05 0.00 2.03 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 2.18 2.21 0.00 95 A 8.72 5.02 0.57 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 96 V 9.19 4.61 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 1.04 0.00 0.00 0.93 0.00 0.00 97 S 8.54 5.26 0.00 4.15 4.06 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 98 L 8.26 3.85 0.00 1.72 1.59 0.99 0.89 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 99 E 7.64 3.84 0.00 1.86 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 2.29 2.33 0.00 100 Q 8.28 3.96 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 8.04 4.04 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 0.00 102 I 7.24 3.09 1.71 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.08 0.60 0.00 0.00 103 E 7.43 4.10 0.00 1.96 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 2.32 2.33 0.00 104 N 8.13 4.78 0.00 2.76 2.86 0.00 0.00 6.84 7.99 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 0.00 105 N 7.82 4.76 0.00 2.84 3.05 0.00 0.00 6.92 7.59 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 0.00 106 P 0.00 4.71 0.00 2.31 2.25 0.00 3.90 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 2.07 2.05 0.00 107 E 8.44 4.11 0.00 2.00 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 0.00 2.34 2.39 0.00 108 G 8.45 3.46 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 0.00 109 S 8.34 4.55 0.00 3.85 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 0.00 110 H 8.36 4.02 0.00 3.31 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.12 4.74 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 0.42 0.00 0.00 0.96 0.00 0.00 112 R 9.18 4.53 0.00 2.15 1.82 0.00 3.14 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 8.39 4.42 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 0.83 0.00 0.00 0.90 0.00 0.00 114 I 8.97 4.86 1.92 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 1.49 1.45 1.00 0.00 0.00 115 R 8.37 4.18 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00