NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2783 8.3044 120.3279 56.0439 33.3828 174.8087 2 L 3.8315 8.7531 124.6274 52.8883 42.6142 171.5746 3 Q 4.3749 8.9400 127.5360 54.8060 30.6546 171.0560 4 P 4.1212 0.0000 0.0000 63.2357 31.7512 176.8593 5 K 4.0792 8.4659 121.4320 58.9501 32.4043 176.9827 6 R 4.6831 7.3296 116.2467 55.2297 32.9375 173.6663 7 T 4.7757 7.9963 110.7574 59.6236 71.9041 174.2626 8 K 3.8840 8.8457 123.4044 58.6993 32.3245 177.2971 9 F 5.0483 7.6674 114.5144 55.3503 42.2498 175.2447 10 R 4.2090 8.8233 122.8648 58.5287 30.2678 176.8474 11 K 4.6850 7.8118 114.1269 54.6282 35.8989 175.0905 12 M 4.7578 8.1020 119.5868 53.4834 34.5767 174.9924 13 H 4.0873 8.2907 117.3326 57.2217 29.5443 176.9716 14 K 5.0618 9.1876 130.8288 57.8570 30.7743 176.1058 15 G 3.7269 7.5943 106.2343 46.6680 0.0000 171.4049 16 R 4.7494 8.1962 117.0355 54.8859 34.4422 173.9196 17 N 5.0417 8.3164 115.4013 53.2073 39.3810 174.8108 18 R 4.0430 7.8214 115.3867 56.8949 31.1194 177.6688 19 G 4.0252 8.6706 105.9363 45.2705 0.0000 173.1670 20 L 4.2303 7.9038 118.3465 53.5498 42.4951 177.0210 21 A 4.3032 8.2581 124.2846 52.6378 19.0485 177.4696 22 Q 4.3905 8.5604 116.6417 57.1896 31.2324 176.9962 23 G 3.8486 7.8163 108.5144 44.7277 0.0000 173.2085 24 T 4.7440 8.3956 117.2364 60.5847 68.6500 173.6040 25 D 4.6561 7.6368 118.3962 51.7636 42.3405 174.7493 26 V 3.7864 8.4999 121.3825 63.9588 31.3155 175.7880 27 S 4.5767 8.7854 123.6006 57.4779 63.4057 174.4642 28 F 4.3443 7.9884 118.3716 59.5610 46.7536 175.4255 29 G 3.8448 7.3845 111.3984 45.0701 0.0000 172.7028 30 S 4.4871 8.2691 113.6683 58.2573 65.4847 174.7149 31 F 5.3428 8.0395 117.0266 55.6078 43.1215 174.1640 32 G 4.3271 8.9312 107.5271 44.4516 0.0000 171.4526 33 L 4.5246 8.4246 122.3566 52.8360 43.8014 175.4972 34 K 4.4241 8.9993 128.1460 56.3386 33.6119 176.6778 35 A 4.0171 9.1272 127.6709 51.1791 17.6486 178.1792 36 V 4.1188 9.4501 117.3617 61.1382 31.2184 170.2440 37 G 4.2071 7.5283 105.1873 43.3904 0.0000 171.7537 38 R 4.4985 9.2406 119.4531 54.9184 31.8699 176.4133 39 G 3.8829 6.7937 107.3541 43.9558 0.0000 172.1214 40 R 4.9888 8.0714 116.0146 54.3363 32.2142 174.5397 41 L 4.8715 8.4600 122.0837 53.7882 43.2488 176.7062 42 T 4.9150 8.0028 110.3321 61.5254 68.7891 174.0789 43 A 3.8795 7.9494 127.3014 54.4141 17.6083 180.6893 44 R 3.7816 7.8465 112.5454 59.6874 30.2005 178.9389 45 Q 4.0739 7.7357 118.5033 58.2961 28.9072 178.1440 46 I 4.4071 7.7977 114.7745 64.1690 37.2497 177.5184 47 E 3.9753 9.0923 120.2878 58.9173 29.5165 178.7047 48 A 3.9627 8.4094 120.7798 55.9465 18.4277 179.1228 49 A 3.9106 8.5396 119.1655 54.7106 18.4457 179.9822 50 R 3.6514 8.3001 115.5682 59.3521 30.4529 178.4401 51 R 3.8435 8.4686 117.9476 59.4959 29.9554 178.5080 52 A 4.0006 7.6795 118.5287 56.5404 18.4928 178.9143 53 M 3.8091 8.1584 114.7742 59.3620 32.6749 178.6767 54 T 3.8514 9.1985 113.7522 65.4159 68.8595 172.4632 55 R 4.0218 5.9901 135.0000 57.8677 30.4314 176.5896 56 A 5.3108 7.9543 135.0000 53.7664 17.3843 178.3548 57 V 3.8973 7.8922 107.1784 61.3657 33.1075 178.4790 58 K 3.5580 7.6870 119.1385 57.2972 30.2365 176.5203 59 R 3.8579 8.3347 127.2792 58.6980 30.1897 176.4401 60 Q 3.8070 7.6320 117.5449 56.3824 29.3937 177.4014 61 G 4.0034 9.0896 104.0153 44.8619 0.0000 172.2127 62 K 4.5383 8.2772 117.8218 54.4362 35.9773 174.7655 63 I 5.1793 7.6765 125.1130 59.5066 40.4079 174.7790 64 W 4.7503 10.1211 126.8088 55.0444 32.7198 175.4084 65 I 4.4817 8.1193 121.0112 59.7637 38.6490 175.6295 66 R 4.0186 8.6923 127.7026 58.4544 30.4469 178.2064 67 V 4.1450 7.4227 110.8889 60.2982 33.0238 175.4928 68 F 4.5455 8.7127 123.9260 57.8251 43.2551 172.1051 69 P 3.5636 0.0000 0.0000 64.2341 31.5859 177.9870 70 D 4.8619 9.7057 128.0692 54.2888 40.5083 174.4415 71 K 4.5395 8.4108 122.2722 54.1133 32.8038 174.5399 72 P 2.9700 0.0000 0.0000 64.7127 31.6001 173.5412 73 I 2.7476 7.3029 129.8395 60.9862 35.2351 173.4101 74 T 4.6697 7.8559 115.2837 60.3156 71.0760 173.5647 75 E 4.6124 8.3756 121.1942 54.5284 33.1723 173.9949 76 K 4.2426 8.7032 128.7442 55.3580 32.7859 176.7605 77 P 4.7830 0.0000 0.0000 62.2172 32.3688 173.9868 78 L 4.0057 9.0001 125.7628 57.0941 40.2263 178.6488 79 A 4.2607 9.2530 114.1554 52.8355 18.6952 179.4000 80 V 3.7815 7.7179 117.8930 62.0086 32.1972 177.9633 81 R 4.1767 8.2147 121.6860 56.3349 31.1648 174.3436 82 M 4.5238 8.5959 116.2619 55.0557 33.7228 176.1384 83 G 3.9962 9.0415 111.7262 45.3606 0.0000 173.8773 84 K 4.2097 7.5017 120.8608 54.6138 31.0545 176.6520 85 G 4.1019 7.7885 106.2106 44.2503 0.0000 172.4657 86 K 4.0358 8.3811 122.2545 55.4597 32.8867 177.2853 87 G 3.9948 8.4523 112.5044 46.9347 0.0000 171.3238 88 N 5.0675 8.0777 115.1059 50.9042 41.2151 175.0462 89 V 3.6133 8.3655 123.0937 63.8900 31.4896 174.3304 90 E 4.5921 8.5925 129.2243 57.4908 30.9586 174.8695 91 Y 5.0854 7.2211 113.6983 55.1281 41.9040 173.9472 92 W 5.1569 9.1064 118.8544 54.8447 31.4420 175.8670 93 V 4.9133 9.4846 123.5043 59.8353 34.8395 174.2393 94 A 5.0602 8.8319 124.1296 49.9343 21.2266 175.8964 95 L 4.4848 8.7814 123.7435 55.0512 42.6446 176.7932 96 I 4.7219 9.2941 118.0284 59.0043 40.6597 174.6236 97 Q 4.9824 8.4918 123.2459 53.3884 32.1210 172.9487 98 P 4.4034 0.0000 0.0000 63.9891 32.0978 176.6318 99 G 4.0164 9.6406 112.7342 45.7609 0.0000 174.0856 100 K 3.9988 7.9923 119.3181 57.1112 33.1765 176.6919 101 V 4.1051 8.4525 125.5798 61.3223 31.7468 176.2244 102 L 4.0556 9.0786 126.8991 57.3146 42.5558 176.7784 103 Y 5.3437 7.8550 114.7230 56.2470 42.3305 174.2091 104 E 5.5164 9.2942 119.9809 55.4827 34.4568 174.2974 105 M 6.2097 9.2808 119.9032 55.7725 35.9412 173.1691 106 D 4.6677 9.3336 120.4920 54.9346 43.2295 177.9883 107 G 4.2180 8.0218 105.9828 44.6266 0.0000 173.4315 108 V 4.5293 7.5732 116.4724 59.0377 35.1826 172.5277 109 P 4.3139 0.0000 0.0000 64.0394 32.3626 177.2198 110 E 2.9528 8.8219 122.3531 59.1436 29.6287 178.8676 111 E 3.7005 8.2205 118.6413 59.7564 29.5949 178.6488 112 L 3.8551 7.8605 119.0179 58.0027 42.1189 178.7117 113 A 3.6345 7.9760 120.5334 55.2190 18.3239 179.4646 114 R 3.6179 7.9176 116.8070 59.6308 30.2080 179.0700 115 E 3.8653 8.0462 117.5275 59.4810 29.0348 179.1634 116 A 3.9737 8.4024 121.0276 55.1883 18.2628 179.8204 117 F 4.5477 8.7773 116.5171 60.7998 38.9469 177.6983 118 K 3.8627 8.1819 118.3854 59.7866 32.0029 177.8385 119 L 4.2667 7.9891 118.0613 56.8806 41.9116 178.7524 120 A 4.0794 7.8889 119.8139 54.3947 18.1657 179.0499 121 A 4.0715 8.3107 119.0767 54.5038 18.1587 179.0627 122 A 4.2427 7.5726 117.9531 53.4697 18.9548 178.1394 123 K 4.3352 7.6241 114.3037 56.2399 32.8689 176.3371 124 L 4.6216 7.2162 118.8263 52.7062 42.7808 175.0870 125 P 4.5364 0.0000 0.0000 63.6482 31.9394 176.0966 126 I 4.6614 7.2547 111.9457 58.4576 40.3511 175.2050 127 K 4.2785 8.6229 122.2689 57.3166 32.6262 175.8722 128 T 5.7077 8.1857 112.2437 59.9710 72.6827 172.1901 129 T 4.7399 9.0098 114.7176 60.7348 71.1786 172.3661 130 F 4.8101 8.8328 128.2241 58.3019 40.5809 174.9929 131 V 4.6733 7.5042 116.3694 60.4705 36.3525 174.2996 132 T 5.0553 8.4407 120.2902 61.7086 70.9520 174.6905 133 K 3.7548 8.7662 123.0279 59.9379 32.1791 173.1534 134 T 3.5448 7.8725 120.8425 63.1064 68.2616 172.4108 135 V 3.7886 8.3501 125.3860 64.9333 32.1619 175.3523 136 M 4.3075 7.7064 123.1017 55.6278 32.3929 174.1967 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 M 8.30 4.28 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 L 8.75 3.83 0.00 1.56 1.65 0.86 -0.19 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 3 Q 8.94 4.37 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.57 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 4 P 0.00 4.12 0.00 1.69 1.96 0.00 2.20 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.12 0.00 5 K 8.47 4.08 0.00 1.69 1.83 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 6 R 7.33 4.68 0.00 1.68 1.69 0.00 3.14 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 7 T 8.00 4.78 4.57 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 1.39 0.00 0.00 8 K 8.85 3.88 0.00 1.62 1.30 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.33 7.81 9 F 7.67 5.05 0.00 3.03 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 10 R 8.82 4.21 0.00 1.85 1.99 0.00 3.36 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 11 K 7.81 4.68 0.00 1.69 1.57 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.40 7.81 12 M 8.10 4.76 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 13 H 8.29 4.09 0.00 3.08 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.19 5.06 0.00 1.80 1.89 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.14 7.81 15 G 7.59 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 16 R 8.20 4.75 0.00 1.75 1.80 0.00 3.32 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 17 N 8.32 5.04 0.00 2.63 2.75 0.00 0.00 7.01 7.65 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 18 R 7.82 4.04 0.00 1.85 1.85 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 19 G 8.67 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 0.00 0.00 0.00 20 L 7.90 4.23 0.00 1.65 1.61 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.26 4.30 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 22 Q 8.56 4.39 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.23 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 23 G 7.82 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 24 T 8.40 4.74 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 1.20 0.00 0.00 25 D 7.64 4.66 0.00 2.72 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 26 V 8.50 3.79 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 0.86 0.00 0.00 0.90 0.00 0.00 27 S 8.79 4.58 0.00 3.52 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 28 F 7.99 4.34 0.00 1.99 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 29 G 7.38 3.84 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 0.00 0.00 0.00 30 S 8.27 4.49 0.00 2.81 3.29 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 31 F 8.04 5.34 0.00 3.18 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 32 G 8.93 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 0.00 0.00 0.00 0.00 33 L 8.42 4.52 0.00 0.47 1.32 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.00 4.42 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.60 7.81 35 A 9.13 4.02 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 36 V 9.45 4.12 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 0.80 0.00 0.00 0.95 0.00 0.00 37 G 7.53 4.21 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 0.00 0.00 0.00 38 R 9.24 4.50 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.57 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 39 G 6.79 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 40 R 8.07 4.99 0.00 1.94 1.92 0.00 3.11 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 41 L 8.46 4.87 0.00 1.78 1.65 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.00 4.92 4.20 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 1.28 0.00 0.00 43 A 7.95 3.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.78 0.00 1.93 2.00 0.00 3.07 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 45 Q 7.74 4.07 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 46 I 7.80 4.41 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.41 0.92 0.00 0.00 47 E 9.09 3.98 0.00 2.22 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 2.40 2.46 0.00 48 A 8.41 3.96 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 49 A 8.54 3.91 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 50 R 8.30 3.65 0.00 2.25 2.14 0.00 3.16 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 51 R 8.47 3.84 0.00 1.99 1.98 0.00 3.36 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 52 A 7.68 4.00 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 53 M 8.16 3.81 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 54 T 9.20 3.85 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 1.19 0.00 0.00 55 R 5.99 4.02 0.00 1.68 2.06 0.00 3.45 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 56 A 7.95 5.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.90 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 0.68 0.00 0.00 0.99 0.00 0.00 58 K 7.69 3.56 0.00 1.85 1.00 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.45 7.81 59 R 8.33 3.86 0.00 1.76 1.83 0.00 3.27 0.00 0.00 3.27 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 Q 7.63 3.81 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.31 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 61 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.54 0.00 1.67 1.49 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 0.79 7.81 63 I 7.68 5.18 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.02 0.00 0.00 64 W 10.12 4.75 0.00 3.18 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 65 I 8.12 4.48 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.78 0.00 0.00 66 R 8.69 4.02 0.00 1.82 1.96 0.00 3.11 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 67 V 7.42 4.14 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 0.60 0.00 0.00 0.72 0.00 0.00 68 F 8.71 4.55 0.00 2.93 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 69 P 0.00 3.56 0.00 1.89 1.80 0.00 3.29 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 70 D 9.71 4.86 0.00 3.07 3.40 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 71 K 8.41 4.54 0.00 1.87 2.09 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.39 7.81 72 P 0.00 2.97 0.00 1.75 1.45 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 73 I 7.30 2.75 1.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 -0.07 0.00 0.00 74 T 7.86 4.67 4.13 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 1.17 0.00 0.00 75 E 8.38 4.61 0.00 2.05 1.78 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 2.24 2.32 0.00 76 K 8.70 4.24 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 P 0.00 4.78 0.00 2.08 1.91 0.00 3.71 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 2.03 2.08 0.00 78 L 9.00 4.01 0.00 1.67 1.27 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.25 4.26 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 80 V 7.72 3.78 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 0.72 0.00 0.00 0.93 0.00 0.00 81 R 8.21 4.18 0.00 1.77 1.92 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 82 M 8.60 4.52 0.00 2.01 1.95 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 2.50 2.43 0.00 83 G 9.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.21 0.00 1.75 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 85 G 7.79 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 0.00 0.00 0.00 0.00 86 K 8.38 4.04 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 87 G 8.45 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 88 N 8.08 5.07 0.00 2.69 2.68 0.00 0.00 7.09 7.56 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 89 V 8.37 3.61 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 0.13 0.00 0.00 0.74 0.00 0.00 90 E 8.59 4.59 0.00 1.97 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 2.30 2.33 0.00 91 Y 7.22 5.09 0.00 2.96 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 92 W 9.11 5.16 0.00 3.15 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 93 V 9.48 4.91 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 0.88 0.00 0.00 1.08 0.00 0.00 94 A 8.83 5.06 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 95 L 8.78 4.48 0.00 1.57 1.67 0.96 0.86 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 96 I 9.29 4.72 1.88 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 1.30 0.65 0.99 0.00 0.00 97 Q 8.49 4.98 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 98 P 0.00 4.40 0.00 2.10 2.15 0.00 3.57 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 2.12 2.09 0.00 99 G 9.64 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 0.00 100 K 7.99 4.00 0.00 1.85 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.57 7.81 101 V 8.45 4.11 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 0.71 0.00 0.00 0.92 0.00 0.00 102 L 9.08 4.06 0.00 1.92 1.53 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.85 5.34 0.00 2.78 2.96 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 0.00 104 E 9.29 5.52 0.00 2.02 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 2.23 2.26 0.00 105 M 9.28 6.21 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 106 D 9.33 4.67 0.00 3.50 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 0.00 107 G 8.02 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 0.00 0.00 0.00 0.00 108 V 7.57 4.53 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 0.85 0.00 0.00 0.96 0.00 0.00 109 P 0.00 4.31 0.00 2.20 2.03 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 110 E 8.82 2.95 0.00 2.01 1.84 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 2.77 2.59 0.00 111 E 8.22 3.70 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 2.33 2.39 0.00 112 L 7.86 3.86 0.00 1.76 1.62 0.94 1.04 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 0.00 113 A 7.98 3.63 1.21 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 0.00 0.00 114 R 7.92 3.62 0.00 1.65 1.69 0.00 2.68 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 115 E 8.05 3.87 0.00 2.14 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 2.27 2.42 0.00 116 A 8.40 3.97 1.21 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 0.00 0.00 117 F 8.78 4.55 0.00 3.46 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 0.00 118 K 8.18 3.86 0.00 1.79 2.05 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 119 L 7.99 4.27 0.00 1.94 1.68 0.91 0.68 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 0.00 120 A 7.89 4.08 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 0.00 121 A 8.31 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.24 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 0.00 123 K 7.62 4.34 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.52 7.81 124 L 7.22 4.62 0.00 1.86 1.62 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.54 0.00 2.19 2.17 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 126 I 7.25 4.66 1.89 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 1.44 0.64 1.03 0.00 0.00 127 K 8.62 4.28 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 128 T 8.19 5.71 4.38 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 1.28 0.00 0.00 129 T 9.01 4.74 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 1.23 0.00 0.00 130 F 8.83 4.81 0.00 3.13 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 0.00 131 V 7.50 4.67 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 0.67 0.00 0.00 0.84 0.00 0.00 132 T 8.44 5.06 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 1.48 0.00 0.00 133 K 8.77 3.75 0.00 1.72 1.80 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.37 7.81 134 T 7.87 3.54 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 1.26 0.00 0.00 135 V 8.35 3.79 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 0.74 0.00 0.00 0.92 0.00 0.00 136 M 7.71 4.31 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00