NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9347 8.3549 109.7359 45.4317 0.0000 173.0141 2 L 4.1880 7.9302 119.5156 51.2360 43.2936 175.6443 3 S 4.5483 9.6523 117.9260 57.3895 66.4514 174.6886 4 D 4.6741 8.7626 121.4831 57.8990 40.5185 179.6164 5 G 3.6757 8.1055 105.3307 47.6782 0.0000 175.5019 6 E 3.8850 7.7390 119.8794 59.1204 29.4544 179.2860 7 W 4.5773 8.2388 119.3775 59.9893 29.0985 178.3160 8 Q 4.0671 8.3316 119.4393 59.2955 28.6069 178.3893 9 Q 4.0339 8.2042 119.0613 58.9091 28.7234 178.6682 10 V 3.7258 8.0348 119.3548 66.4769 31.4919 178.1869 11 L 4.1971 8.3866 118.3831 57.4437 41.2092 179.0504 12 N 4.3345 8.2596 116.7635 56.6903 39.2480 176.8012 13 V 3.7091 7.8393 119.4741 65.7869 31.7542 177.8338 14 W 4.0828 8.7864 128.2245 59.8086 30.2702 177.8401 15 G 3.9009 8.2069 105.7490 48.1502 0.0000 175.2488 16 K 4.0803 7.8811 120.1279 58.5208 31.7168 179.5264 17 V 2.7358 7.0798 118.2211 65.5182 31.0270 177.2263 18 E 3.9412 7.3259 115.5470 57.6953 29.4711 178.3985 19 A 4.2201 7.2048 120.2353 53.8469 20.0102 177.4003 20 D 4.6230 7.3844 115.8550 51.7710 41.8848 175.0842 21 I 3.6573 8.1156 124.6855 63.0401 38.5959 176.5521 22 A 4.1454 7.4266 122.6037 54.6934 18.2985 179.7395 23 G 3.5045 8.1268 103.7453 47.8782 0.0000 175.7223 24 H 4.0848 8.3653 118.6750 58.6587 28.7837 178.0142 25 G 3.5923 8.4130 107.8066 47.7938 0.0000 175.4022 26 Q 3.8590 8.0796 122.1241 58.8896 29.0203 178.1646 27 E 3.8543 7.9860 119.4632 59.3690 29.4648 179.0746 28 V 3.5153 7.9238 118.4783 66.5700 31.3878 178.1597 29 L 3.4900 7.8298 118.0765 57.4958 41.3439 179.7441 30 I 3.5602 7.5857 119.8616 64.0709 37.0162 178.2292 31 R 3.7638 8.0157 119.8230 59.3384 29.9276 178.0662 32 L 3.9130 7.7510 119.8301 58.5089 41.9840 179.1026 33 F 4.6174 7.9798 118.0539 60.6304 38.5632 177.7155 34 T 4.1398 7.8524 108.9453 64.3689 69.0197 177.0230 35 G 3.6302 7.9212 107.5799 46.3948 0.0000 173.8266 36 H 4.7724 7.8901 117.4776 52.6549 29.4142 172.1941 37 P 4.7069 0.0000 0.0000 64.0588 31.4796 177.6255 38 E 4.1307 8.2508 116.8152 59.3801 28.9370 179.0025 39 T 3.7742 8.0540 110.8696 64.2878 68.9251 176.3986 40 L 3.6743 7.7077 122.6880 57.8755 41.8195 178.5724 41 E 4.1538 7.9281 117.3985 58.6545 29.4182 178.9548 42 K 4.3383 7.8022 116.9144 57.3177 32.5476 176.6499 43 F 4.4993 7.9582 118.3809 55.6002 38.9714 175.7002 44 D 4.4440 8.8388 126.9421 57.4498 40.7621 178.9239 45 K 4.2145 7.7745 115.8276 58.3246 33.3068 177.7611 46 F 4.9941 7.7362 117.9604 57.4777 39.4354 176.7264 47 K 4.2903 7.9425 117.6785 57.9097 33.0250 177.1593 48 H 4.3239 8.1510 115.2726 57.4806 28.7569 175.9141 49 L 4.2038 7.4494 121.2413 53.8869 39.9694 176.3918 50 K 4.1206 8.5228 123.6843 57.9917 32.8757 177.9681 51 T 4.6429 7.8150 108.5345 59.2658 72.5876 174.7486 52 E 3.8964 8.5728 121.0213 59.4092 29.3681 178.6775 53 A 3.9872 7.8468 119.3604 55.0899 18.6440 178.8346 54 E 4.0627 8.5704 117.5529 59.9827 29.3119 179.5342 55 M 3.9785 8.0087 118.5407 58.3072 31.8008 178.7161 56 K 4.0481 8.3955 118.6580 58.3948 32.4567 177.7834 57 A 4.5702 7.2949 119.0182 51.3893 19.7845 176.7484 58 S 4.2946 7.2946 112.4236 57.9129 62.7733 174.6425 59 E 4.1511 8.7770 127.8970 58.8944 29.5533 178.4097 60 D 4.4190 8.1153 118.0424 57.0233 41.3382 177.8778 61 L 3.5406 7.9706 121.1475 57.7649 42.0703 178.6904 62 K 3.8346 7.7735 119.4608 59.3905 32.1709 178.3767 63 K 3.9079 8.3569 120.2015 60.0476 31.9957 178.2189 64 H 4.4616 8.4643 118.0326 58.9809 29.8158 177.1066 65 G 3.8418 8.2739 107.8150 48.5115 0.0000 175.7250 66 T 3.9625 7.7132 117.4726 66.1321 68.6642 177.1663 67 V 3.6593 7.7202 119.9987 65.9940 31.5480 178.1846 68 V 3.6047 8.0815 118.1559 66.2639 31.4369 178.1243 69 L 4.2748 8.1870 118.6859 57.9601 41.3542 179.5836 70 T 3.9958 8.6749 116.0344 66.7798 68.4206 176.4332 71 A 4.0936 8.0364 122.0727 54.6647 18.4509 179.4564 72 L 3.6713 8.1271 119.3680 57.9079 42.1083 179.1123 73 G 3.2870 8.3848 106.3400 47.6684 0.0000 175.6203 74 G 3.5901 7.4748 106.6714 47.4371 0.0000 175.1646 75 I 3.8246 7.4427 122.8848 64.1498 37.1336 178.3674 76 L 3.8792 7.9548 119.6891 57.8316 41.2028 179.8415 77 K 3.8565 7.6359 116.7635 58.6131 32.2201 178.6265 78 K 3.9908 7.7163 117.4153 55.7429 32.4640 176.6878 79 K 2.0000 8.1553 118.5956 56.5247 29.8723 175.5895 80 G 3.6856 7.6160 101.9254 46.5914 0.0000 174.6739 81 H 4.6825 8.1257 118.3764 54.8509 27.5472 174.6059 82 H 5.1872 7.4118 111.2494 54.3183 29.7370 176.5634 83 E 3.9387 8.4303 122.9404 59.9334 29.1856 178.4861 84 A 4.0191 7.8920 119.3504 55.0316 17.2731 178.9473 85 E 4.0560 8.1111 116.6542 59.5204 29.5554 179.2124 86 L 4.1156 8.0304 120.1599 57.6486 42.2388 178.3042 87 K 3.8137 8.0713 119.9697 59.3632 32.1245 176.9007 88 P 4.3523 0.0000 0.0000 65.1796 31.3246 177.9996 89 L 3.9700 7.4572 118.7966 58.1283 41.9706 178.4405 90 A 4.0917 8.1823 120.8971 55.5800 18.2110 179.6332 91 Q 3.9001 8.1421 116.4477 59.1442 28.7954 179.2379 92 S 4.0386 8.1701 115.2452 61.8688 62.8863 176.2880 93 H 4.1868 8.5040 119.5678 58.0599 28.3924 177.7797 94 A 2.5800 7.9692 122.8857 54.7619 17.9652 179.7978 95 T 3.7652 7.5455 112.9062 66.2767 68.8346 176.1924 96 K 4.0348 7.5077 119.9122 58.9645 32.8865 177.3802 97 H 4.2218 8.1214 116.3657 56.5770 29.4066 175.8292 98 K 3.4840 7.4182 115.6890 56.5141 28.6077 176.8006 99 I 4.2709 7.9139 119.5973 59.1336 37.7681 175.0383 100 P 4.4004 0.0000 0.0000 62.4541 31.9438 177.3876 101 I 3.5810 8.8569 121.4508 64.5085 37.5907 177.8753 102 K 3.6113 7.9199 119.7025 59.6698 31.8373 178.1994 103 Y 4.1257 8.0036 116.9702 60.8834 37.8299 178.1460 104 L 4.1637 7.9918 119.6558 57.7035 41.7576 179.0074 105 E 3.9928 8.2327 119.4286 59.1545 29.5986 178.7464 106 F 4.5327 7.9489 117.8965 60.9490 39.0925 177.5959 107 I 3.9045 8.4738 118.3527 63.8197 37.7447 178.0877 108 S 4.2180 8.2073 116.3466 61.7668 62.6782 176.2632 109 D 4.4718 8.4177 121.2809 57.4545 40.4838 178.8124 110 A 4.1340 8.1945 121.2390 55.1481 18.2735 179.8326 111 I 3.7225 7.9973 118.4921 64.3791 37.2205 178.6357 112 I 3.8226 7.9743 120.6932 64.6963 36.9776 177.6215 113 H 4.1021 8.6684 119.4283 59.6354 29.5737 177.2841 114 V 3.5592 8.1476 119.9591 65.8797 30.7814 177.7974 115 L 3.7903 8.0402 118.8682 58.1987 40.9479 179.3272 116 H 4.4267 8.2342 115.9225 58.9402 28.4158 177.9148 117 S 4.0845 8.0650 114.1743 60.9832 62.3978 175.6027 118 K 4.1816 7.9993 118.3884 57.1055 33.3470 176.8345 119 H 4.9194 7.7934 116.3385 53.8841 29.9499 172.0395 120 P 4.7002 0.0000 0.0000 63.3851 32.0365 177.0671 121 G 4.1151 8.9574 110.6893 46.6188 0.0000 172.9859 122 D 4.8160 8.3377 114.7225 53.1358 42.6140 175.6555 123 F 4.8406 7.9501 119.1886 56.3995 39.7577 174.4615 124 G 3.8824 8.0370 113.8662 42.4467 0.0000 170.7939 125 A 3.9119 8.4315 121.3355 55.4786 18.1506 179.6273 126 D 4.2177 7.9233 116.5225 56.5414 39.7627 178.4594 127 A 3.9964 7.7445 121.9107 54.7142 18.5254 179.1778 128 Q 3.6577 7.8638 118.5729 58.9453 28.9628 178.6123 129 G 3.6068 7.9814 106.5503 47.9034 0.0000 175.4926 130 A 3.8715 7.8423 123.3643 54.7857 18.3088 179.4677 131 M 4.0046 8.2580 116.7049 59.0832 32.3339 178.2688 132 T 3.9287 7.9559 115.9383 66.9710 68.6843 176.5690 133 K 4.1467 8.4517 121.1452 58.8186 32.0062 179.2870 134 A 3.9374 8.3864 121.4650 55.1694 18.2581 179.7518 135 L 4.0816 8.4547 117.9555 57.8044 41.6609 179.3120 136 E 3.9926 8.4913 118.9078 59.4851 29.3459 179.2866 137 L 4.0813 8.0176 120.1657 57.9809 42.1791 178.3880 138 F 4.1776 8.2926 120.7061 61.5969 39.2421 177.1012 139 R 3.5159 8.2725 117.9128 59.2693 29.9895 177.7049 140 N 4.1792 8.7544 117.2774 57.1360 38.9555 176.5570 141 D 4.3559 8.3003 120.1848 57.2125 40.7466 178.9293 142 I 3.4841 7.4450 120.3165 64.0127 36.9391 178.0044 143 A 3.7500 8.0776 121.8481 55.1223 18.1616 179.4986 144 A 3.9248 7.8203 118.8001 55.4029 18.5253 180.0272 145 K 3.9784 7.6226 116.2298 59.7652 32.1042 179.1569 146 Y 4.1960 8.4665 117.2944 61.0332 37.8439 178.6619 147 K 3.9703 8.4740 120.7100 59.3822 32.0943 178.0772 148 E 3.9239 7.8532 118.3371 59.5629 29.6458 178.4300 149 L 4.3265 7.7956 115.0284 54.5053 41.8494 177.6021 150 G 3.8376 7.7212 106.8403 45.9858 0.0000 173.5169 151 F 4.2417 8.2063 122.3669 58.2371 39.3178 175.4342 152 Q 3.5275 7.9637 126.1782 56.4236 28.6144 173.5726 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 G 8.35 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 0.00 0.00 0.00 2 L 7.93 4.19 0.00 0.35 0.68 0.41 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.65 4.55 0.00 3.99 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 4 D 8.76 4.67 0.00 2.77 2.85 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 5 G 8.11 3.68 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 0.00 0.00 0.00 6 E 7.74 3.89 0.00 2.07 1.66 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 2.20 2.25 0.00 7 W 8.24 4.58 0.00 3.52 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 8 Q 8.33 4.07 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 9 Q 8.20 4.03 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 10 V 8.03 3.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.94 0.00 0.00 11 L 8.39 4.20 0.00 1.91 1.79 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.26 4.33 0.00 2.87 3.06 0.00 0.00 7.15 7.30 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 13 V 7.84 3.71 2.34 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 0.75 0.00 0.00 1.17 0.00 0.00 14 W 8.79 4.08 0.00 3.65 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 15 G 8.21 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 0.00 0.00 0.00 0.00 16 K 7.88 4.08 0.00 1.61 1.73 0.00 1.47 0.00 0.00 1.34 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.34 7.81 17 V 7.08 2.74 0.67 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 0.03 0.00 0.00 0.19 0.00 0.00 18 E 7.33 3.94 0.00 1.87 1.90 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 2.30 2.04 0.00 19 A 7.20 4.22 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 20 D 7.38 4.62 0.00 2.67 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 21 I 8.12 3.66 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.89 0.00 0.00 22 A 7.43 4.15 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 23 G 8.13 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 24 H 8.37 4.08 0.00 3.34 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.41 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.08 3.86 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 E 7.99 3.85 0.00 2.12 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 2.26 2.40 0.00 28 V 7.92 3.52 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 1.02 0.00 0.00 0.96 0.00 0.00 29 L 7.83 3.49 0.00 1.41 0.93 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.59 3.56 1.84 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 1.35 0.59 0.86 0.00 0.00 31 R 8.02 3.76 0.00 1.94 2.03 0.00 3.05 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 32 L 7.75 3.91 0.00 1.71 1.46 1.09 1.01 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 33 F 7.98 4.62 0.00 3.02 2.93 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 34 T 7.85 4.14 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 1.24 0.00 0.00 35 G 7.92 3.63 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 36 H 7.89 4.77 0.00 3.13 2.89 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.71 0.00 2.16 2.10 0.00 3.85 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 2.09 1.98 0.00 38 E 8.25 4.13 0.00 2.30 2.30 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 2.37 2.59 0.00 39 T 8.05 3.77 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 0.84 0.00 0.00 40 L 7.71 3.67 0.00 1.56 1.80 0.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.93 4.15 0.00 2.10 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 2.49 2.54 0.00 42 K 7.80 4.34 0.00 1.78 1.68 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.96 7.81 43 F 7.96 4.50 0.00 3.03 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 0.00 0.00 0.00 0.00 44 D 8.84 4.44 0.00 2.59 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 45 K 7.77 4.21 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.99 0.53 7.81 46 F 7.74 4.99 0.00 2.84 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 47 K 7.94 4.29 0.00 1.92 1.93 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.38 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.72 1.51 7.81 48 H 8.15 4.32 0.00 3.29 3.51 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.45 4.20 0.00 1.63 1.58 0.78 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.52 4.12 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.37 7.81 51 T 7.81 4.64 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 1.21 0.00 0.00 52 E 8.57 3.90 0.00 2.04 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 0.00 2.35 2.36 0.00 53 A 7.85 3.99 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 54 E 8.57 4.06 0.00 2.11 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 2.35 2.36 0.00 55 M 8.01 3.98 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 56 K 8.40 4.05 0.00 1.82 1.96 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 57 A 7.29 4.57 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 58 S 7.29 4.29 0.00 4.02 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 59 E 8.78 4.15 0.00 2.05 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 2.39 2.31 0.00 60 D 8.12 4.42 0.00 2.91 2.93 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 61 L 7.97 3.54 0.00 1.24 1.59 0.64 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 3.83 0.00 1.94 1.95 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 63 K 8.36 3.91 0.00 2.09 2.07 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 64 H 8.46 4.46 0.00 3.66 3.67 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.27 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 66 T 7.71 3.96 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 1.24 0.00 0.00 67 V 7.72 3.66 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 1.07 0.00 0.00 1.04 0.00 0.00 68 V 8.08 3.60 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 1.05 0.00 0.00 0.94 0.00 0.00 69 L 8.19 4.27 0.00 1.80 1.85 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.67 4.00 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 1.26 0.00 0.00 71 A 8.04 4.09 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 72 L 8.13 3.67 0.00 1.56 1.68 0.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.38 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 0.00 0.00 0.00 74 G 7.47 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.44 3.82 1.86 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.97 0.00 0.00 76 L 7.95 3.88 0.00 1.08 1.52 0.19 1.07 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 77 K 7.64 3.86 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 78 K 7.72 3.99 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.87 7.81 79 K 8.16 2.00 0.00 1.10 0.74 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.31 0.95 7.81 80 G 7.62 3.69 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 0.00 0.00 0.00 81 H 8.13 4.68 0.00 3.09 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.41 5.19 0.00 3.25 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.43 3.94 0.00 2.13 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 2.39 2.45 0.00 84 A 7.89 4.02 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 85 E 8.11 4.06 0.00 2.29 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 0.00 2.39 2.43 0.00 86 L 8.03 4.12 0.00 1.78 1.65 0.67 0.53 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 87 K 8.07 3.81 0.00 2.15 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.35 0.00 2.32 2.30 0.00 3.86 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 2.09 2.03 0.00 89 L 7.46 3.97 0.00 1.99 1.79 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.18 4.09 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 91 Q 8.14 3.90 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 92 S 8.17 4.04 0.00 3.99 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 0.00 93 H 8.50 4.19 0.00 3.50 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.97 2.58 0.42 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 95 T 7.55 3.77 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 1.11 0.00 0.00 96 K 7.51 4.03 0.00 1.53 1.62 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.31 7.81 97 H 8.12 4.22 0.00 3.05 3.18 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 98 K 7.42 3.48 0.00 1.92 2.03 0.00 1.76 0.00 0.00 2.39 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.47 7.81 99 I 7.91 4.27 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 1.19 0.00 0.00 100 P 0.00 4.40 0.00 1.66 1.67 0.00 2.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.72 0.00 101 I 8.86 3.58 1.85 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.86 0.00 0.00 102 K 7.92 3.61 0.00 1.73 1.57 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 0.61 7.81 103 Y 8.00 4.13 0.00 3.24 3.08 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 0.00 104 L 7.99 4.16 0.00 1.83 1.79 0.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.23 3.99 0.00 2.00 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 0.00 2.40 2.39 0.00 106 F 7.95 4.53 0.00 3.29 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 0.00 107 I 8.47 3.90 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 1.12 0.00 0.00 108 S 8.21 4.22 0.00 4.21 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 0.00 109 D 8.42 4.47 0.00 3.01 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 0.00 110 A 8.19 4.13 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 0.00 111 I 8.00 3.72 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 1.00 0.00 0.00 112 I 7.97 3.82 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.31 1.15 0.00 0.00 113 H 8.67 4.10 0.00 3.27 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.15 3.56 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 0.99 0.00 0.00 1.02 0.00 0.00 115 L 8.04 3.79 0.00 1.03 0.40 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.23 4.43 0.00 3.39 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.07 4.08 0.00 3.72 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 0.00 118 K 8.00 4.18 0.00 1.69 1.45 0.00 1.59 0.00 0.00 1.31 0.00 0.00 2.48 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.28 1.41 7.81 119 H 7.79 4.92 0.00 3.29 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.70 0.00 2.05 2.01 0.00 3.88 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 121 G 8.96 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 0.00 122 D 8.34 4.82 0.00 2.64 2.87 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 0.00 123 F 7.95 4.84 0.00 2.78 2.85 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 0.00 124 G 8.04 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 0.00 125 A 8.43 3.91 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 0.00 126 D 7.92 4.22 0.00 2.96 2.89 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 0.00 127 A 7.74 4.00 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 0.00 128 Q 7.86 3.66 0.00 1.21 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 129 G 7.98 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 0.00 130 A 7.84 3.87 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 0.00 131 M 8.26 4.00 0.00 2.45 2.31 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 7.96 3.93 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 1.24 0.00 0.00 133 K 8.45 4.15 0.00 1.79 1.68 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.34 7.81 134 A 8.39 3.94 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 0.00 135 L 8.45 4.08 0.00 1.74 1.82 1.00 0.73 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 0.00 136 E 8.49 3.99 0.00 2.22 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 0.00 2.36 2.44 0.00 137 L 8.02 4.08 0.00 1.94 2.00 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.29 4.18 0.00 3.15 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 0.00 139 R 8.27 3.52 0.00 2.25 1.96 0.00 3.28 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 1.55 1.56 0.00 140 N 8.75 4.18 0.00 2.94 2.94 0.00 0.00 7.29 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.30 4.36 0.00 2.73 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 0.00 142 I 7.45 3.48 1.41 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.10 0.04 0.00 0.00 143 A 8.08 3.75 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 0.00 144 A 7.82 3.92 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 0.00 145 K 7.62 3.98 0.00 2.12 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.61 7.81 146 Y 8.47 4.20 0.00 3.15 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 0.00 147 K 8.47 3.97 0.00 1.85 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 148 E 7.85 3.92 0.00 2.05 2.30 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 2.34 2.39 0.00 149 L 7.80 4.33 0.00 1.82 1.66 0.91 0.94 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 0.00 150 G 7.72 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 0.00 151 F 8.21 4.24 0.00 2.60 2.60 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 0.00 0.00 0.00 0.00 152 Q 7.96 3.53 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.42 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00