NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3383 8.2493 123.5816 50.6560 20.8956 176.6085 2 K 4.1459 7.5785 111.3181 55.4230 35.0280 174.2348 3 K 4.3480 8.2363 123.6348 55.7121 34.6810 176.2953 4 V 4.4922 7.8432 122.2465 59.0772 34.4825 174.9076 5 Q 3.8252 8.3831 119.1798 56.5813 28.9779 175.6525 6 A 3.8433 9.1957 122.1795 53.8575 19.0416 177.1698 7 Y 3.4346 8.1821 122.0429 58.4164 36.5189 169.7715 8 V 4.2407 7.9215 117.0503 59.8415 34.2291 174.8676 9 K 4.9137 8.1099 120.4753 54.8922 35.8624 175.7889 10 L 4.4013 8.6449 122.1706 55.0298 44.2167 174.3109 11 Q 4.8252 8.7254 120.5755 54.5422 29.1695 174.9854 12 V 4.5286 7.9749 123.4140 59.0997 34.5278 175.2944 13 A 3.7983 8.7983 123.9503 52.4432 18.5525 176.4404 14 A 3.8681 8.3671 118.6013 53.4386 19.1040 179.2565 15 G 3.9672 7.3006 107.4800 41.0000 0.0000 172.0077 16 M 4.1162 7.5722 115.4289 55.4868 35.3319 173.5250 17 A 4.2503 8.5470 126.7468 52.2021 21.8123 174.3187 18 N 4.6198 9.3755 116.6393 53.4293 37.9105 173.2357 19 P 4.2689 0.0000 0.0000 62.8770 31.9580 176.6895 20 S 4.0168 8.6459 117.1208 61.1806 62.7435 173.5403 21 P 4.3870 0.0000 0.0000 65.3688 31.3108 176.1804 22 P 4.4462 0.0000 0.0000 65.2910 32.9309 177.2932 23 V 4.2049 7.5909 113.4898 61.4366 32.4701 181.1201 24 G 3.8461 9.3861 108.7801 45.2796 0.0000 172.9443 25 P 4.0921 0.0000 0.0000 66.0584 31.0530 175.8898 26 A 3.8071 7.7770 117.6122 55.4559 18.3976 178.8068 27 L 4.2138 7.5362 115.7412 56.6633 41.3387 178.9694 28 G 3.6135 8.0967 107.6925 47.8747 0.0000 175.6725 29 Q 3.9574 7.5513 119.2454 59.1218 28.8538 178.6015 30 Q 4.1347 7.4921 117.4323 57.5845 28.6296 177.6181 31 G 4.1395 7.3130 107.8797 45.4406 0.0000 174.0231 32 V 3.4049 7.3337 118.1225 62.1438 32.2639 176.5832 33 N 4.7069 8.1471 122.7738 52.1045 38.2478 175.8955 34 I 3.5539 8.2340 125.1426 64.9050 37.4241 176.9599 35 M 3.9348 8.0984 117.6827 59.0940 32.0672 177.7844 36 E 3.9935 8.4184 118.4097 59.5895 29.6441 178.5068 37 F 4.3697 8.5530 120.2419 61.4600 39.3838 176.1270 38 C 3.9870 8.3706 118.5852 62.8598 31.3681 176.0468 39 K 3.9713 8.0339 119.0177 59.1360 31.7475 179.2545 40 A 4.0817 8.4450 121.5311 55.6613 18.3952 178.9534 41 F 4.3560 8.7591 120.3242 61.5024 39.1548 176.7462 42 N 4.6344 8.5212 117.1386 54.8922 38.5318 177.3610 43 A 4.0676 7.5979 122.2017 55.2965 18.7079 179.7849 44 K 4.0991 7.6250 116.0097 59.0437 32.2538 179.5260 45 T 3.7960 7.5702 109.8910 63.9377 68.1879 176.2992 46 D 4.2529 7.2846 120.4993 57.5233 40.9344 177.8578 47 S 4.1789 7.8007 113.7656 61.4440 63.1116 174.9810 48 I 3.8247 7.1757 118.0061 60.0479 38.0600 174.8486 49 E 3.8488 8.7671 123.1578 56.8958 29.4473 177.1256 50 K 4.2541 8.4918 123.6518 57.1669 32.9297 177.7607 51 G 3.9487 8.9894 110.7109 45.0422 0.0000 172.7537 52 L 4.7829 7.2076 120.5972 51.8525 44.0068 173.8933 53 P 4.5455 0.0000 0.0000 63.2869 31.7689 175.3436 54 I 4.6139 7.9869 124.9699 58.1857 39.8065 173.1314 55 P 4.8104 0.0000 0.0000 62.6359 32.6407 175.3747 56 V 4.8327 8.8942 124.7343 59.6896 34.8665 174.8096 57 V 4.5073 8.0775 122.5471 61.3944 33.5495 174.2009 58 I 4.6856 7.9481 129.6084 60.2226 39.2647 174.8798 59 T 4.5205 8.6962 121.3065 60.2551 69.5924 173.1137 60 V 4.2220 8.2329 128.5012 61.8582 33.1395 174.3592 61 Y 4.8933 7.8776 122.5606 55.8046 40.4531 176.6787 62 A 4.2811 8.6840 122.7436 55.4946 18.5132 178.3937 63 D 4.4345 8.1997 114.2563 55.3604 41.4265 177.8174 64 R 4.1412 8.4677 116.3253 56.9505 29.1693 176.1383 65 S 4.7022 7.8047 113.5911 58.2873 63.5231 171.7520 66 F 5.0727 7.6990 114.5552 56.4288 39.8593 173.1572 67 T 5.0829 8.4414 108.9616 60.2725 72.4891 172.6024 68 F 5.7635 8.1555 115.8349 55.5049 41.4134 173.8737 69 V 4.3022 8.5139 114.4205 59.9316 33.8246 174.6747 70 T 4.4537 8.6560 121.6320 61.4860 67.4592 173.9865 71 K 4.5720 8.1194 133.9798 56.4335 32.8209 175.7295 72 T 4.6148 8.0902 118.0893 60.1526 69.1797 173.4541 73 P 4.5017 0.0000 0.0000 62.2329 31.9141 174.8415 74 P 4.3182 0.0000 0.0000 63.1407 33.1366 177.5534 75 A 3.9821 8.6061 122.1107 55.0998 18.3903 180.0313 76 A 3.9262 7.9747 118.8855 55.3517 18.5038 179.8511 77 V 3.4991 7.7184 116.0426 66.2729 31.7633 177.9008 78 L 4.0143 8.0818 118.7442 58.0067 41.4164 179.6732 79 L 4.0555 8.3690 119.2133 57.5300 41.4494 179.6096 80 K 3.9909 7.9743 118.5852 59.3049 31.9332 179.5140 81 K 3.9225 8.0676 118.3848 59.4568 31.8428 179.0445 82 A 3.9664 7.8158 119.2958 55.4332 18.4005 179.3095 83 A 4.3067 8.3860 117.6351 52.9072 18.4906 178.5737 84 G 3.7931 7.8978 105.1145 46.0451 0.0000 173.5520 85 I 4.3515 7.6811 113.0528 59.2403 39.6117 175.3970 86 K 4.2854 8.4746 118.8260 57.3783 33.1449 176.1982 87 S 4.7925 7.5905 110.2238 55.9132 66.5163 174.8885 88 G 4.0735 8.4104 114.0520 45.6069 0.0000 174.4309 89 S 4.5179 8.2274 115.8860 57.2520 64.0689 175.4909 90 G 4.0672 8.3208 113.8848 45.7696 0.0000 174.6614 91 K 4.5362 7.2293 119.4916 52.3103 31.9987 173.7882 92 P 4.6487 0.0000 0.0000 63.2212 32.5263 175.9709 93 N 4.8682 8.9432 121.1452 54.0250 37.4605 176.1748 94 K 4.0385 7.8279 117.3662 58.6089 32.4263 176.3952 95 D 4.7737 7.7973 116.8679 51.9129 43.4559 174.4267 96 K 5.0579 8.5594 125.5299 55.7971 33.7336 176.8643 97 V 4.1265 8.3128 115.6267 62.3973 33.2294 175.3445 98 G 4.3071 7.6385 106.3167 45.3575 0.0000 171.7925 99 K 5.3267 8.3875 117.6889 55.3867 36.0248 175.9321 100 I 4.9413 8.9535 121.9136 59.5499 41.8177 175.3423 101 S 5.1787 9.0776 120.8500 57.4756 63.5515 175.5925 102 R 3.9559 8.6779 120.9922 59.3388 29.7868 179.3064 103 A 4.2701 7.8095 121.6604 54.6434 18.4893 179.4040 104 Q 4.1917 7.8516 117.5558 58.6644 28.8430 178.9877 105 L 4.0465 7.9840 119.3628 58.1418 41.7379 179.5590 106 Q 4.1171 7.8647 117.5258 58.8975 28.0604 178.7028 107 E 4.0948 8.0026 119.2966 59.5024 29.4403 179.4686 108 I 3.7971 8.3182 120.1282 64.2096 37.2096 178.3831 109 A 3.9892 8.5443 122.0839 54.9660 17.9284 179.4219 110 Q 3.9883 7.8769 117.6121 59.2941 29.1566 178.1037 111 T 4.0953 7.5452 116.2451 66.3721 68.8688 176.6281 112 K 4.1849 8.5833 119.2757 57.7040 32.0689 179.0001 113 A 3.9424 7.7344 121.9449 55.3811 18.0338 179.3145 114 A 3.9649 8.0289 117.1883 55.1131 18.5709 178.5796 115 D 4.6277 8.1658 114.5556 54.1204 41.8398 176.6879 116 M 4.4728 6.9370 119.3500 54.4146 33.2774 176.2524 117 T 4.1415 8.4653 115.1704 62.6486 68.0974 175.0263 118 G 3.8650 8.0709 108.5706 46.3796 0.0000 173.3132 119 A 4.1038 8.8282 128.2080 54.3399 19.0770 177.1526 120 D 5.0730 7.6286 114.0090 50.7328 43.9264 176.6282 121 I 3.7184 8.2054 113.3631 64.1757 37.2930 177.9483 122 E 3.9072 8.2600 119.5131 59.1446 29.2850 178.8866 123 A 3.9864 8.9606 120.8435 55.5856 18.3563 179.5357 124 M 3.9920 7.8865 116.6579 58.9026 32.1212 179.1160 125 T 3.8670 8.3265 116.2096 66.7638 68.6188 176.6877 126 R 4.1483 8.1059 121.8883 58.8955 29.8388 178.4455 127 S 4.1327 8.3405 115.3041 61.9299 62.7358 176.8308 128 I 3.9694 7.6580 122.1555 64.0255 36.5644 178.1448 129 E 4.0569 8.1491 119.6537 59.4093 29.0346 179.6376 130 G 3.6489 8.1429 105.1445 47.5790 0.0000 175.5694 131 T 4.1098 7.3982 112.1435 64.4372 68.8957 176.9314 132 A 3.9915 8.2108 123.8724 55.1245 18.2969 179.9030 133 R 3.8717 8.0961 115.1933 59.0415 30.1355 178.8049 134 S 4.4172 7.5809 113.6645 60.0923 62.0803 175.2246 135 M 4.4283 8.2798 120.7655 54.4800 32.1435 177.0459 136 G 3.9423 7.9783 107.4670 45.9711 0.0000 172.4472 137 L 4.8356 7.7122 119.5098 52.6335 42.8891 176.8403 138 V 3.9292 8.3651 124.6217 62.6389 33.2319 175.0325 139 V 5.5516 8.4383 123.8880 60.1643 34.1866 174.1745 140 E 4.5712 8.6660 126.5626 54.5177 31.6744 175.7517 141 D 4.4587 8.6560 122.9455 54.3636 41.3817 175.5474 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 8.25 4.34 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 2 K 7.58 4.15 0.00 1.90 1.75 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.45 7.81 3 K 8.24 4.35 0.00 1.70 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 7.84 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 0.76 0.00 0.00 0.93 0.00 0.00 5 Q 8.38 3.83 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 6 A 9.20 3.84 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 7 Y 8.18 3.43 0.00 3.07 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 8 V 7.92 4.24 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 0.55 0.00 0.00 0.68 0.00 0.00 9 K 8.11 4.91 0.00 1.56 1.62 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.44 7.81 10 L 8.64 4.40 0.00 1.66 1.61 0.78 0.48 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 11 Q 8.73 4.83 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.97 4.53 1.97 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 0.27 0.00 0.00 0.94 0.00 0.00 13 A 8.80 3.80 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 14 A 8.37 3.87 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 15 G 7.30 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 0.00 0.00 0.00 16 M 7.57 4.12 0.00 1.94 1.91 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 2.36 2.45 0.00 17 A 8.55 4.25 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 18 N 9.38 4.62 0.00 2.75 3.27 0.00 0.00 6.96 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 19 P 0.00 4.27 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 S 8.65 4.02 0.00 3.81 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 21 P 0.00 4.39 0.00 2.06 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.45 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.59 4.20 2.19 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 0.97 0.00 0.00 0.92 0.00 0.00 24 G 9.39 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 25 P 0.00 4.09 0.00 2.13 2.12 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 A 7.78 3.81 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 27 L 7.54 4.21 0.00 1.54 1.63 0.27 0.28 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 28 G 8.10 3.61 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 0.00 29 Q 7.55 3.96 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 30 Q 7.49 4.13 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 31 G 7.31 4.14 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 0.00 32 V 7.33 3.40 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 -0.64 0.00 0.00 0.58 0.00 0.00 33 N 8.15 4.71 0.00 3.18 2.92 0.00 0.00 6.89 7.34 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 34 I 8.23 3.55 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.93 0.00 0.00 35 M 8.10 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 36 E 8.42 3.99 0.00 2.22 2.41 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 2.46 2.45 0.00 37 F 8.55 4.37 0.00 3.41 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 38 C 8.37 3.99 0.00 3.10 3.15 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 39 K 8.03 3.97 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.45 4.08 1.62 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 0.00 0.00 41 F 8.76 4.36 0.00 1.51 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 42 N 8.52 4.63 0.00 2.76 2.80 0.00 0.00 6.56 8.87 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 43 A 7.60 4.07 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 44 K 7.62 4.10 0.00 1.89 1.80 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 T 7.57 3.80 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 -0.12 0.00 0.00 46 D 7.28 4.25 0.00 2.77 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 47 S 7.80 4.18 0.00 3.94 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 48 I 7.18 3.82 1.82 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 1.29 0.74 0.89 0.00 0.00 49 E 8.77 3.85 0.00 2.03 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 2.41 2.32 0.00 50 K 8.49 4.25 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.48 7.81 51 G 8.99 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 52 L 7.21 4.78 0.00 1.57 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.55 0.00 2.10 2.13 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 I 7.99 4.61 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 1.18 0.00 0.00 55 P 0.00 4.81 0.00 2.19 2.21 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 56 V 8.89 4.83 2.42 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 0.56 0.00 0.00 1.35 0.00 0.00 57 V 8.08 4.51 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 0.51 0.00 0.00 0.94 0.00 0.00 58 I 7.95 4.69 1.43 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 0.62 0.22 0.63 0.00 0.00 59 T 8.70 4.52 4.10 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 1.24 0.00 0.00 60 V 8.23 4.22 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 0.93 0.00 0.00 0.70 0.00 0.00 61 Y 7.88 4.89 0.00 3.14 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 62 A 8.68 4.28 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 63 D 8.20 4.43 0.00 2.77 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 64 R 8.47 4.14 0.00 2.05 2.17 0.00 3.25 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.80 4.70 0.00 4.17 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 66 F 7.70 5.07 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 5.08 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 1.40 0.00 0.00 68 F 8.16 5.76 0.00 3.17 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 69 V 8.51 4.30 2.13 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 0.83 0.00 0.00 1.00 0.00 0.00 70 T 8.66 4.45 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 1.25 0.00 0.00 71 K 8.12 4.57 0.00 1.95 2.11 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.59 7.81 72 T 8.09 4.61 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 1.30 0.00 0.00 73 P 0.00 4.50 0.00 2.24 2.17 0.00 3.87 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 2.01 2.02 0.00 74 P 0.00 4.32 0.00 2.19 2.05 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 75 A 8.61 3.98 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 76 A 7.97 3.93 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 77 V 7.72 3.50 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 1.08 0.00 0.00 0.95 0.00 0.00 78 L 8.08 4.01 0.00 1.90 1.72 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.37 4.06 0.00 1.85 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.97 3.99 0.00 2.03 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 81 K 8.07 3.92 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 82 A 7.82 3.97 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 83 A 8.39 4.31 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 84 G 7.90 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 0.00 0.00 0.00 85 I 7.68 4.35 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 1.43 0.71 0.95 0.00 0.00 86 K 8.47 4.29 0.00 1.75 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 87 S 7.59 4.79 0.00 3.76 3.71 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 88 G 8.41 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 0.00 0.00 0.00 89 S 8.23 4.52 0.00 4.27 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 90 G 8.32 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 0.00 0.00 0.00 91 K 7.23 4.54 0.00 1.83 1.72 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 P 0.00 4.65 0.00 2.03 2.10 0.00 3.80 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 93 N 8.94 4.87 0.00 2.90 3.02 0.00 0.00 6.92 7.61 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 94 K 7.83 4.04 0.00 1.70 2.03 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 95 D 7.80 4.77 0.00 2.60 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 0.00 0.00 0.00 0.00 96 K 8.56 5.06 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.31 4.13 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 0.73 0.00 0.00 0.96 0.00 0.00 98 G 7.64 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 0.00 0.00 0.00 0.00 99 K 8.39 5.33 0.00 1.90 1.73 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.95 4.94 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 1.29 0.79 0.95 0.00 0.00 101 S 9.08 5.18 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 0.00 102 R 8.68 3.96 0.00 1.89 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 103 A 7.81 4.27 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 0.00 104 Q 7.85 4.19 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.98 4.05 0.00 1.84 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.86 4.12 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 107 E 8.00 4.09 0.00 2.23 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 2.33 2.63 0.00 108 I 8.32 3.80 2.00 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 1.46 0.97 0.92 0.00 0.00 109 A 8.54 3.99 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 0.00 110 Q 7.88 3.99 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.55 4.10 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 1.22 0.00 0.00 112 K 8.58 4.18 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.61 7.81 113 A 7.73 3.94 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 0.00 114 A 8.03 3.96 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 0.00 115 D 8.17 4.63 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.94 4.47 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 117 T 8.47 4.14 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 0.00 118 G 8.07 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 0.00 119 A 8.83 4.10 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 0.00 120 D 7.63 5.07 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.72 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 1.64 1.35 0.91 0.00 0.00 122 E 8.26 3.91 0.00 2.31 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 2.40 2.45 0.00 123 A 8.96 3.99 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 0.00 124 M 7.89 3.99 0.00 2.12 2.13 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 2.77 2.59 0.00 125 T 8.33 3.87 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 1.28 0.00 0.00 126 R 8.11 4.15 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.34 4.13 0.00 4.09 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 0.00 128 I 7.66 3.97 2.01 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 1.53 0.88 0.92 0.00 0.00 129 E 8.15 4.06 0.00 2.23 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 2.33 2.57 0.00 130 G 8.14 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 0.00 0.00 0.00 131 T 7.40 4.11 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 1.26 0.00 0.00 132 A 8.21 3.99 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 0.00 133 R 8.10 3.87 0.00 1.78 2.02 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 134 S 7.58 4.42 0.00 3.98 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 0.00 135 M 8.28 4.43 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.54 0.00 136 G 7.98 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 0.00 137 L 7.71 4.84 0.00 1.53 1.63 0.93 0.98 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 0.00 138 V 8.37 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 139 V 8.44 5.55 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 1.00 0.00 0.00 0.96 0.00 0.00 140 E 8.67 4.57 0.00 2.04 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 2.28 2.23 0.00 141 D 8.66 4.46 0.00 2.64 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