NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2235 8.1727 120.1332 56.8009 34.7758 174.0574 2 V 4.5060 8.1130 122.3386 60.9326 32.1784 174.7603 3 F 4.4746 9.2666 127.9152 56.7607 40.0977 174.9668 4 E 4.0476 8.9912 122.8592 56.0485 30.7659 176.8663 5 R 3.3598 8.9876 124.2171 60.3764 29.9989 179.5700 6 C 4.3338 8.2588 115.3215 59.7082 38.5728 175.5959 7 E 3.8802 8.3586 120.6818 59.2328 29.1934 178.5495 8 L 3.6861 8.0803 120.1284 57.8000 42.0947 178.5576 9 A 3.9394 7.8183 120.7540 55.5002 18.3405 179.9290 10 R 3.9135 7.9568 116.3801 59.5277 29.9246 179.4713 11 T 3.8727 7.8560 115.6214 66.6864 68.5009 176.7568 12 L 3.8645 8.1381 121.2858 57.4353 41.6006 179.4690 13 K 3.9213 8.1059 119.6689 59.6537 31.9555 179.1494 14 R 3.9969 7.9114 117.0630 58.6856 29.9917 178.0028 15 L 4.4212 7.2734 116.5184 54.2284 41.7888 177.1615 16 G 3.8813 7.8709 107.0177 46.3817 0.0000 174.9249 17 M 3.9183 7.8335 120.6441 56.4481 32.2485 175.6911 18 D 4.3620 7.9672 117.8795 55.8449 40.8232 175.6668 19 G 3.9629 9.4364 115.6812 45.3468 0.0000 171.2448 20 Y 4.1704 8.1475 121.7552 59.1053 39.1993 176.6779 21 R 3.4867 8.9477 127.1883 57.2236 27.7762 177.1103 22 G 3.8088 8.1375 104.2535 45.3799 0.0000 173.6278 23 I 4.0798 7.6116 122.0414 59.0377 37.8107 175.7861 24 S 4.5994 8.3110 120.4491 57.7486 63.8045 174.9759 25 L 4.2340 8.6785 123.4647 58.6240 41.6506 179.4323 26 A 4.1543 8.1124 120.1356 55.1385 18.3428 179.2052 27 N 4.4219 8.1307 114.9332 56.3666 38.5483 177.6889 28 W 4.3047 7.9835 119.9197 59.8354 29.1161 178.3532 29 M 4.1521 8.5970 119.1024 58.6689 31.5379 177.8420 30 C 3.2539 8.1216 118.6934 59.2045 43.1872 175.3491 31 L 3.9710 8.2052 121.5873 58.2993 41.7413 178.8223 32 A 4.1489 8.3605 120.7703 54.9281 18.2934 179.4106 33 K 2.7568 8.2980 118.3990 59.3149 32.0155 179.0086 34 W 4.2647 7.6798 117.1490 59.0510 29.1823 178.4554 35 E 4.3119 8.4746 118.7517 58.8554 29.1427 178.0157 36 S 4.5290 7.6036 107.9217 56.4625 64.6715 173.9066 37 G 3.5034 8.4879 108.8762 46.9713 0.0000 173.3020 38 Y 3.6770 7.7365 113.1620 58.7323 34.9661 168.6289 39 N 5.3628 7.9401 118.8482 51.9361 40.5096 175.4825 40 T 4.0397 8.9679 117.4080 63.8550 69.2424 176.0925 41 R 4.3893 7.9928 116.4627 55.8944 30.4028 176.3891 42 A 4.2679 7.9293 122.5407 52.7523 19.2756 176.5133 43 T 4.9907 8.4983 111.8739 59.7653 72.2222 173.0161 44 N 4.9153 8.8272 121.7853 52.0868 42.2480 172.4070 45 Y 4.5960 8.7172 127.8638 57.3110 40.7857 173.8487 46 N 4.6600 8.3838 124.7782 51.2272 38.7522 175.4247 47 A 3.7554 8.2867 127.7447 54.7214 19.0389 179.1361 48 G 3.7867 8.1456 104.3928 48.2711 0.0000 173.9325 49 D 4.7286 7.5495 115.1845 52.0247 40.0414 176.0740 50 R 4.1737 8.1750 116.1427 56.9500 28.2316 176.0057 51 S 4.8312 7.8935 114.1351 57.5830 65.9258 172.8336 52 T 5.1149 8.7199 115.1632 62.0316 72.8699 173.0136 53 D 5.5906 9.0180 124.5610 53.1303 43.6363 175.0870 54 Y 4.8232 8.9225 119.6938 57.4797 41.6473 177.1305 55 G 4.6313 9.4653 112.6172 46.3442 0.0000 173.6183 56 I 3.8119 8.2627 117.0903 62.8537 38.0820 177.6656 57 F 4.7436 8.0659 115.7973 56.4449 39.9521 175.1623 58 Q 3.6313 7.8686 119.2731 57.1010 26.6381 174.0563 59 I 4.4235 8.1345 118.8983 61.1525 39.1842 176.7503 60 N 5.6339 9.1630 125.6221 52.9571 40.0801 175.7400 61 S 4.6479 9.0017 119.9264 60.2016 63.3552 175.4269 62 R 3.7539 8.9042 122.4710 58.6939 30.4671 177.7106 63 Y 3.9825 7.7331 114.8874 57.7486 40.4951 176.8421 64 W 4.9406 7.9841 118.3920 57.5550 31.6503 173.9823 65 C 5.5807 8.0265 112.0235 53.6824 45.9893 172.5190 66 N 4.9686 8.9507 119.7796 52.4681 39.7091 174.9396 67 D 4.8711 8.8841 124.1183 52.5408 40.3442 176.8224 68 G 4.1467 8.5619 109.8449 45.4981 0.0000 174.7177 69 K 4.4568 7.9952 115.2607 56.5909 32.9483 175.6875 70 T 4.4815 7.7100 117.9520 61.1708 69.4502 172.2591 71 P 4.2792 0.0000 0.0000 63.8761 31.8139 176.6167 72 G 3.7640 8.8571 108.9917 45.8440 0.0000 173.2224 73 A 4.2841 7.3585 120.3427 51.6221 19.4749 177.4741 74 V 4.3628 8.0259 112.3961 59.3619 35.6451 176.1262 75 N 5.0043 8.0596 116.4756 52.5366 37.8645 174.5308 76 A 4.1624 8.7755 123.5405 54.6769 19.2781 178.6420 77 C 4.3849 8.8706 111.3082 56.6746 40.6387 173.8621 78 H 4.1014 7.7947 114.1658 56.3367 27.4651 173.8739 79 L 4.8381 8.3275 119.1814 53.1725 46.4490 176.7783 80 S 4.5401 8.4171 115.3929 58.4135 63.1473 176.1044 81 C 4.0024 8.7898 124.5672 59.6528 38.4420 176.2649 82 S 3.9581 7.9184 114.9770 61.4403 61.6200 176.0399 83 A 4.1447 7.9630 122.4106 54.3208 18.4145 177.9013 84 L 4.5153 7.7599 116.6180 54.9229 41.7513 177.5176 85 L 4.9889 7.7494 117.0501 54.5379 42.4355 176.7774 86 Q 4.3482 7.9196 117.5652 55.4617 29.5088 176.0509 87 D 4.4257 8.5846 120.4124 57.2072 41.1426 176.8714 88 N 4.5663 8.0748 118.1309 53.3400 39.3774 174.6129 89 I 4.3166 8.4056 118.6211 60.9222 37.9922 177.0884 90 A 3.9349 8.4995 125.0690 56.0326 18.1464 180.2365 91 D 4.2638 8.0978 116.5242 57.3568 40.9354 178.7261 92 A 4.0716 7.9744 120.8899 55.1456 18.4022 179.6854 93 V 3.3547 8.2534 116.9609 65.9965 31.6028 177.9945 94 A 3.8165 8.1037 120.7322 55.3614 18.1286 178.8592 95 C 4.1959 8.4342 116.8017 59.6539 37.8891 175.4989 96 A 3.9264 8.3517 122.8355 55.1746 17.5954 179.7758 97 K 3.8426 7.8339 116.3936 59.3648 32.3916 179.1699 98 R 4.0600 7.8425 119.0332 59.3628 29.9995 178.4481 99 V 2.2945 7.4276 118.0071 65.7949 31.1247 177.7679 100 V 3.9447 7.2856 107.5011 62.1123 31.7225 177.7789 101 R 4.2053 7.6776 117.4922 56.9483 30.5938 176.4073 102 D 4.7433 7.4921 119.4142 52.6922 42.0050 175.3932 103 P 4.2396 0.0000 0.0000 66.1660 31.6295 178.3584 104 Q 4.0442 8.1955 116.1323 56.6938 30.0543 177.5648 105 G 3.5718 7.8248 107.6067 46.5222 0.0000 176.2610 106 I 3.7673 7.6972 121.7359 62.7585 37.9210 177.5915 107 R 4.2370 7.3116 117.5900 58.3612 30.0240 177.4585 108 A 3.9028 7.7296 121.0344 54.3154 18.7172 177.6657 109 W 4.7099 8.1532 116.9340 55.5069 29.7559 177.4458 110 V 3.7346 8.7790 123.7848 66.0710 30.9220 177.6071 111 A 4.0201 8.2774 120.1142 54.8055 18.1251 179.2454 112 W 3.9586 8.3620 126.5419 60.6653 30.5994 178.4314 113 R 4.0019 8.0850 117.7675 58.7961 29.6390 178.3737 114 N 4.3548 8.0801 115.2146 55.5167 38.6830 176.7753 115 R 4.0389 7.5739 115.6321 55.7229 31.9368 175.8533 116 C 4.5076 7.0964 113.6526 57.9046 39.1137 174.2721 117 Q 3.2259 6.7310 120.8743 57.1393 28.7706 176.0956 118 N 4.2471 8.6701 120.1581 54.0677 36.0979 173.7965 119 R 4.4693 7.2836 116.0648 54.0660 32.7825 175.4765 120 D 4.5687 8.4518 118.9459 54.1698 40.7145 175.8552 121 V 4.6312 8.2274 119.1023 61.2160 32.3908 178.2028 122 R 4.0757 8.3314 122.6855 59.2238 30.1713 179.0386 123 Q 3.9949 8.0936 115.6242 59.1857 28.6448 178.2006 124 Y 4.1138 7.5762 115.2959 60.2235 38.1335 177.2995 125 V 4.3103 7.6831 110.4547 60.6057 32.6333 175.2238 126 Q 4.0956 7.5837 122.7755 57.5831 28.9893 176.7133 127 G 3.9816 8.9776 113.2483 45.8825 0.0000 174.3348 128 C 4.4010 7.9337 115.6647 57.0560 40.6163 174.3916 129 G 3.8835 8.2517 107.2624 46.2107 0.0000 174.0429 130 V 4.0033 7.7904 118.0148 61.1002 32.0089 175.7466 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 K 8.17 4.22 0.00 1.64 2.13 0.00 1.05 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.16 7.81 2 V 8.11 4.51 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.27 4.47 0.00 2.78 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 0.00 4 E 8.99 4.05 0.00 2.03 1.82 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 2.39 2.26 0.00 5 R 8.99 3.36 0.00 1.98 1.90 0.00 3.47 0.00 0.00 3.46 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 6 C 8.26 4.33 0.00 3.25 3.11 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 7 E 8.36 3.88 0.00 2.06 2.22 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 2.72 2.47 0.00 8 L 8.08 3.69 0.00 1.35 1.38 -0.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.82 3.94 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 10 R 7.96 3.91 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.86 3.87 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 12 L 8.14 3.86 0.00 1.74 1.59 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.11 3.92 0.00 1.95 1.92 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.91 4.00 0.00 1.98 1.97 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 15 L 7.27 4.42 0.00 1.60 1.56 0.87 0.88 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 16 G 7.87 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 17 M 7.83 3.92 0.00 1.36 1.99 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 18 D 7.97 4.36 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 19 G 9.44 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 20 Y 8.15 4.17 0.00 3.36 3.18 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 21 R 8.95 3.49 0.00 1.70 1.75 0.00 3.13 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.00 22 G 8.14 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 23 I 7.61 4.08 1.77 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 0.88 0.65 -0.25 0.00 0.00 24 S 8.31 4.60 0.00 4.06 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 25 L 8.68 4.23 0.00 2.00 1.82 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.42 0.00 2.76 2.74 0.00 0.00 7.08 8.93 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 28 W 7.98 4.30 0.00 3.54 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 29 M 8.60 4.15 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.12 3.25 0.00 2.52 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 31 L 8.21 3.97 0.00 1.87 1.88 0.53 -0.24 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 32 A 8.36 4.15 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 33 K 8.30 2.76 0.00 1.64 1.52 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.58 1.42 7.81 34 W 7.68 4.26 0.00 3.34 3.24 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 35 E 8.47 4.31 0.00 2.02 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 2.59 2.53 0.00 36 S 7.60 4.53 0.00 4.04 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 37 G 8.49 3.50 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 38 Y 7.74 3.68 0.00 3.23 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 39 N 7.94 5.36 0.00 2.85 2.82 0.00 0.00 7.03 6.65 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 40 T 8.97 4.04 4.45 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 1.45 0.00 0.00 41 R 7.99 4.39 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 42 A 7.93 4.27 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 43 T 8.50 4.99 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 1.23 0.00 0.00 44 N 8.83 4.92 0.00 2.82 2.77 0.00 0.00 6.90 7.44 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 45 Y 8.72 4.60 0.00 3.10 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 46 N 8.38 4.66 0.00 2.63 2.59 0.00 0.00 6.96 7.05 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 47 A 8.29 3.76 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 48 G 8.15 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 49 D 7.55 4.73 0.00 2.72 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 50 R 8.17 4.17 0.00 2.05 2.22 0.00 3.15 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 51 S 7.89 4.83 0.00 3.93 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 52 T 8.72 5.11 4.30 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 0.68 0.00 0.00 53 D 9.02 5.59 0.00 2.68 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 54 Y 8.92 4.82 0.00 3.07 2.91 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 0.00 0.00 0.00 55 G 9.47 4.63 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 56 I 8.26 3.81 1.68 0.00 0.00 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 1.02 1.41 0.01 0.00 0.00 57 F 8.07 4.74 0.00 3.20 2.83 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 58 Q 7.87 3.63 0.00 2.55 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.27 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 59 I 8.13 4.42 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 1.13 0.00 0.00 60 N 9.16 5.63 0.00 3.09 3.01 0.00 0.00 7.04 7.75 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 61 S 9.00 4.65 0.00 4.05 4.35 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 62 R 8.90 3.75 0.00 1.67 1.66 0.00 2.78 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 63 Y 7.73 3.98 0.00 1.96 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 64 W 7.98 4.94 0.00 3.49 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 65 C 8.03 5.58 0.00 3.04 3.18 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 66 N 8.95 4.97 0.00 2.86 2.71 0.00 0.00 7.00 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 67 D 8.88 4.87 0.00 2.84 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 68 G 8.56 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 0.00 0.00 0.00 0.00 69 K 8.00 4.46 0.00 1.90 1.91 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.46 7.81 70 T 7.71 4.48 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 1.22 0.00 0.00 71 P 0.00 4.28 0.00 2.16 2.06 0.00 3.86 0.00 0.00 3.80 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 72 G 8.86 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 73 A 7.36 4.28 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 74 V 8.03 4.36 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 0.57 0.00 0.00 0.85 0.00 0.00 75 N 8.06 5.00 0.00 2.77 2.62 0.00 0.00 6.96 7.73 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 76 A 8.78 4.16 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 77 C 8.87 4.38 0.00 3.16 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 78 H 7.79 4.10 0.00 3.33 3.38 0.00 5.50 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.33 4.84 0.00 1.69 1.53 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.42 4.54 0.00 3.83 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 81 C 8.79 4.00 0.00 2.22 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 82 S 7.92 3.96 0.00 3.89 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 83 A 7.96 4.14 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 84 L 7.76 4.52 0.00 1.96 1.83 1.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.75 4.99 0.00 1.79 1.71 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.92 4.35 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.32 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 87 D 8.58 4.43 0.00 2.63 2.67 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 88 N 8.07 4.57 0.00 2.70 2.75 0.00 0.00 6.93 7.96 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 89 I 8.41 4.32 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.99 0.00 0.00 90 A 8.50 3.93 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 91 D 8.10 4.26 0.00 2.72 2.74 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 92 A 7.97 4.07 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 93 V 8.25 3.35 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 0.75 0.00 0.00 0.88 0.00 0.00 94 A 8.10 3.82 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 95 C 8.43 4.20 0.00 3.10 3.27 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 96 A 8.35 3.93 0.76 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 97 K 7.83 3.84 0.00 1.55 1.28 0.00 1.24 0.00 0.00 0.62 0.00 0.00 2.36 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.98 7.81 98 R 7.84 4.06 0.00 1.95 2.12 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 99 V 7.43 2.29 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 -0.37 0.00 0.00 -0.62 0.00 0.00 100 V 7.29 3.94 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 1.03 0.00 0.00 1.44 0.00 0.00 101 R 7.68 4.21 0.00 2.07 2.04 0.00 3.24 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.08 0.00 102 D 7.49 4.74 0.00 3.13 2.63 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 0.00 103 P 0.00 4.24 0.00 2.01 2.12 0.00 3.68 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 2.02 2.13 0.00 104 Q 8.20 4.04 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 5.88 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.82 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 0.00 106 I 7.70 3.77 1.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.78 -0.76 0.00 0.00 107 R 7.31 4.24 0.00 2.02 2.05 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.55 0.00 108 A 7.73 3.90 0.82 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 0.00 0.00 0.00 109 W 8.15 4.71 0.00 3.46 3.24 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 0.00 110 V 8.78 3.73 2.17 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 1.04 0.00 0.00 1.00 0.00 0.00 111 A 8.28 4.02 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 0.00 112 W 8.36 3.96 0.00 3.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.00 0.00 2.01 1.98 0.00 3.39 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 114 N 8.08 4.35 0.00 2.68 2.68 0.00 0.00 6.88 7.19 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 0.00 115 R 7.57 4.04 0.00 1.12 0.66 0.00 2.21 0.00 0.00 2.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.95 0.00 116 C 7.10 4.51 0.00 1.66 2.61 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 0.00 117 Q 6.73 3.23 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.18 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 118 N 8.67 4.25 0.00 2.80 2.83 0.00 0.00 6.86 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 0.00 119 R 7.28 4.47 0.00 1.83 1.81 0.00 3.10 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 120 D 8.45 4.57 0.00 2.64 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 0.00 121 V 8.23 4.63 2.40 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 0.97 0.00 0.00 1.05 0.00 0.00 122 R 8.33 4.08 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.09 3.99 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.60 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 124 Y 7.58 4.11 0.00 3.13 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 0.00 125 V 7.68 4.31 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 0.94 0.00 0.00 1.04 0.00 0.00 126 Q 7.58 4.10 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 127 G 8.98 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 0.00 128 C 7.93 4.40 0.00 2.98 3.14 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 0.00 129 G 8.25 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 0.00 130 V 7.79 4.00 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 0.71 0.00 0.00 0.96 0.00 0.00