NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3140 8.2644 123.5822 52.1089 20.0461 177.6739 3 R 3.8796 8.1276 122.3098 58.8488 30.3622 174.4032 4 R 4.0294 7.5688 116.4212 55.9312 31.5425 177.2586 5 R 4.4100 7.6333 118.8338 55.0851 32.5619 176.5416 6 R 4.1490 8.5412 116.7425 55.4030 29.5187 176.0597 7 A 3.5918 7.6403 113.6590 52.5333 15.6545 176.5939 8 E 3.9748 8.4068 119.4254 56.8307 30.1585 177.8952 9 V 3.4668 8.4027 122.9530 63.0238 31.8656 175.3099 10 R 3.8916 8.5281 127.3642 56.3972 29.9108 175.2476 11 Q 4.2870 8.5933 127.6889 55.0149 29.8535 174.7502 12 L 4.7477 8.1389 124.9721 53.5526 43.0239 175.6357 13 Q 4.1234 8.3642 121.2029 54.9826 29.6200 174.2023 14 P 4.4504 0.0000 0.0000 62.2688 32.2888 175.5305 15 D 4.6193 8.4423 118.7347 54.6583 41.8308 176.8717 16 L 4.2297 8.5697 123.3498 56.4763 42.3624 178.0080 17 V 4.0317 8.0982 115.0937 63.3438 31.9331 175.4367 18 Y 4.5755 7.7487 113.1053 57.1896 41.0764 175.5180 19 G 4.4155 8.4890 106.6392 46.1097 0.0000 172.5402 20 D 4.8879 7.9653 118.2496 51.3162 44.0709 176.3768 21 V 3.9979 8.6379 121.4960 63.9885 31.3687 177.9370 22 L 4.0034 8.0096 118.9540 58.7380 42.0867 178.9325 23 V 3.3275 7.8349 118.0882 65.5005 31.5918 177.6763 24 T 3.7952 7.9300 108.5540 65.1408 68.2490 175.5917 25 A 4.0845 8.0990 123.3952 54.8082 18.4086 179.2241 26 F 4.4027 8.2695 118.0890 60.3462 39.3207 177.1852 27 I 3.3685 7.5171 120.0964 64.3437 37.0528 177.7270 28 N 4.3561 7.8614 115.6952 55.2771 37.2009 176.7610 29 K 4.0790 7.4751 120.6734 59.3536 32.1811 178.8466 30 I 3.7772 6.6467 118.7259 63.2407 37.1542 176.5462 31 M 3.8392 7.2718 118.8418 56.2776 32.4845 175.5978 32 R 4.5338 8.4622 124.3758 55.5694 32.4006 175.6130 33 D 4.1823 9.6543 117.7222 55.0866 38.5550 173.9744 34 G 3.8812 8.1066 103.9230 46.9809 0.0000 175.7622 35 K 4.3897 7.6581 120.1827 53.8855 30.9997 177.1743 36 K 3.9707 8.0471 123.0841 59.8656 32.2441 176.5087 37 N 4.3833 7.9586 115.8490 55.5290 38.1357 176.6989 38 L 3.9954 7.9279 119.1796 58.3483 41.9127 179.5987 39 A 3.8813 8.0587 119.4424 55.0399 18.3442 179.4295 40 A 3.8393 8.0363 119.0818 55.5235 18.5386 179.2765 41 R 3.9815 8.7700 117.8683 59.9953 30.0161 178.2090 42 I 3.6819 8.8968 120.1278 64.7774 37.2257 178.0832 43 F 4.2444 7.8734 120.7384 61.5854 39.0415 176.7440 44 Y 3.9641 7.6371 116.0673 60.7695 37.6780 177.6559 45 D 4.3814 8.4510 119.9607 57.2918 41.0014 178.7056 46 A 4.0026 8.0870 121.3476 55.3751 18.0488 179.4627 47 C 3.9855 7.9083 115.3366 62.7552 28.2050 176.3933 48 K 4.0155 8.3179 120.5212 59.6063 31.4334 179.3493 49 I 4.2860 8.1508 121.5226 63.7071 36.9980 178.0332 50 I 3.8281 7.6010 121.3029 64.1123 36.7213 177.9055 51 Q 4.5362 7.7615 120.6361 58.4752 28.8869 179.0919 52 E 4.1062 8.0661 119.0244 59.5379 29.3721 179.4663 53 K 4.0495 7.5380 115.2452 57.4140 33.0474 177.2429 54 T 4.5913 7.9395 113.4340 60.1354 69.2863 174.4693 55 G 4.0688 8.6633 114.9875 46.0473 0.0000 173.2378 56 Q 4.6356 7.6302 118.7055 53.5167 31.0077 175.0987 57 E 4.2979 8.5396 118.6475 55.1005 30.7119 175.5991 58 P 4.1698 0.0000 0.0000 66.3316 30.9365 177.9852 59 L 3.8184 8.0644 119.1678 57.6443 41.9155 178.8889 60 K 3.9892 8.7804 120.0858 59.5344 32.2758 179.0701 61 V 3.6653 7.8706 117.9423 65.9069 31.2642 177.3799 62 F 4.1457 8.9067 121.3519 60.7963 39.2985 176.9515 63 K 3.6049 8.3939 117.9720 59.6683 32.0945 178.9629 64 Q 3.8425 7.9691 118.9429 59.0862 28.7907 177.9191 65 A 3.9285 7.8163 121.9678 55.3413 18.1919 180.0628 66 V 3.3923 7.2560 116.1562 64.7677 31.4166 177.8891 67 E 3.9736 7.9055 118.9521 58.5756 29.5021 177.9665 68 N 4.5126 7.8122 115.4202 54.5533 39.8894 175.9112 69 V 4.3466 7.3573 120.4792 62.2330 30.9454 176.3566 70 K 4.5598 7.3715 120.5516 52.6562 32.5336 171.4582 71 P 4.2937 0.0000 0.0000 62.8369 31.5676 177.3433 72 R 4.0651 8.8721 123.9643 59.1749 30.3105 176.0031 73 M 5.1532 7.5939 114.2615 54.2307 36.3917 173.9481 74 E 4.8034 8.8851 117.6962 55.2935 33.8314 174.2069 75 V 4.6914 8.3544 114.2623 60.7852 32.8682 175.7956 76 R 4.8079 9.1533 124.7741 54.2125 33.3231 175.4978 77 S 4.8627 8.8106 119.4112 58.6349 63.5561 173.5075 78 R 4.6470 9.1484 125.6919 54.4579 33.0255 174.4717 79 R 4.5950 8.2934 124.2175 55.3160 31.6298 177.0356 80 V 3.7740 8.4573 117.8833 61.4877 34.0949 173.9760 81 G 3.6726 9.0174 113.9505 46.1761 0.0000 174.6034 82 G 3.7861 8.2209 108.3696 44.9642 0.0000 174.1228 83 A 4.1897 7.2515 122.9870 51.2790 19.7592 175.8231 84 N 4.9396 8.5550 121.8350 52.4561 40.3334 173.8000 85 Y 4.9162 8.5718 123.6497 56.5871 41.3410 175.2951 86 Q 4.6013 8.5964 121.5282 54.7227 27.4298 174.5296 87 V 4.1014 8.6869 122.6515 62.0795 33.1780 172.9456 88 P 5.1326 0.0000 0.0000 62.8372 32.7519 175.1525 89 M 4.4480 8.4086 119.0840 54.6855 34.7973 173.3683 90 E 4.2961 8.7232 119.5043 56.7338 30.7834 176.9425 91 V 4.2610 7.9197 121.8601 60.0514 34.0059 175.7951 92 S 4.1700 8.6142 121.6460 57.9043 63.9843 172.8278 93 P 4.2275 0.0000 0.0000 66.3757 30.5776 179.0268 94 R 3.8689 7.9384 117.1330 58.5292 29.8422 178.7696 95 R 3.9515 7.6958 118.1290 58.9260 30.2820 177.7984 96 Q 3.8097 8.2881 118.4448 59.9340 28.7125 178.5880 97 Q 3.6350 8.1370 118.5029 60.0432 28.8804 178.9975 98 S 4.0142 7.9530 113.7324 61.8058 63.2636 176.8883 99 L 3.2462 7.7091 120.9590 58.1361 41.2790 178.8285 100 A 3.9749 7.4272 121.0570 54.6482 18.0981 179.1855 101 L 3.7810 8.2717 115.4813 57.8739 41.9497 180.2749 102 R 4.0082 7.7214 118.1102 59.4442 30.1284 178.7355 103 W 4.6160 8.4566 118.9777 59.8461 28.9399 177.9326 104 L 4.0514 8.1898 119.3605 58.0833 41.0394 179.1570 105 V 3.6655 8.1673 116.0821 67.0058 31.2726 178.4137 106 Q 3.8065 9.1068 116.5377 59.3991 28.4920 180.0404 107 A 4.0472 8.5345 122.1077 54.6605 18.7135 179.4296 108 A 4.2463 8.5001 120.1977 55.6120 18.3888 179.6181 109 N 4.3890 8.4666 113.3810 55.9458 38.6097 177.1905 110 Q 4.1607 7.5734 118.6288 57.2759 29.1896 176.8879 111 R 4.1504 7.2853 118.9056 55.4505 30.7349 175.1238 112 P 4.3605 0.0000 0.0000 65.3787 31.7438 176.8231 113 E 4.0493 8.0830 115.5388 56.5388 29.3348 176.6513 114 R 4.1501 8.0549 117.5403 58.5877 31.1050 177.0565 115 R 4.1229 7.7031 115.6128 55.5533 30.9380 177.6398 116 A 4.0413 8.8686 125.0325 55.2715 18.2619 179.2237 117 A 3.9700 8.0144 118.8345 55.5326 18.4851 180.1218 118 V 3.6297 7.8710 110.7755 64.2050 31.3878 179.1589 119 R 4.0084 7.7929 117.6124 59.4877 30.3209 178.8165 120 I 3.3754 8.2024 119.5318 64.3270 37.0160 178.3293 121 A 4.0165 8.1223 121.8910 55.3742 18.3167 179.1307 122 H 4.1326 8.2653 114.1224 59.2229 28.9221 177.1931 123 E 3.9078 9.1749 121.8959 59.7064 29.5348 178.6447 124 L 3.9609 8.0309 118.1266 58.5487 41.7230 179.6230 125 M 4.0972 8.1157 118.4707 58.4254 32.0131 178.3635 126 D 4.7634 8.8799 118.9390 56.6796 40.5052 178.8090 127 A 4.1006 8.1074 121.6412 54.8641 18.7659 179.2583 128 A 3.9371 7.6065 117.4080 55.1670 18.3777 179.4007 129 E 4.0305 8.3386 117.6949 60.8272 29.9437 176.3713 130 G 3.5962 7.3261 108.9932 45.7664 0.0000 174.8645 131 K 3.8493 8.4437 121.2238 58.8443 32.4655 177.1284 132 G 3.9037 8.6454 108.1229 45.8231 0.0000 174.6416 133 G 3.6196 8.6667 107.6500 47.0497 0.0000 176.0136 134 A 4.1032 8.1282 123.0365 55.2424 17.8339 179.8830 135 V 3.6092 7.6171 116.2925 65.9570 31.7769 178.3600 136 K 4.2601 8.0656 117.6789 59.1963 31.7559 179.2385 137 K 3.7352 7.5005 117.6950 59.0588 31.8905 179.2724 138 K 3.9710 7.4876 119.4404 59.2714 31.9694 178.7559 139 E 3.9580 9.3822 119.7906 59.1993 29.3355 178.8410 140 D 4.2176 7.8568 117.6253 57.4425 41.0378 178.3169 141 V 3.5958 7.5942 118.7255 66.2590 31.3562 177.8429 142 E 4.0356 8.0600 118.3855 59.0531 29.2817 179.3889 143 R 3.8780 7.6684 118.3170 59.7353 30.2695 178.6884 144 M 4.0675 8.1310 118.0647 58.5792 31.6880 178.9531 145 A 3.9563 7.4193 119.3342 55.3386 18.7841 179.0245 146 E 4.0080 8.0911 115.4792 60.0914 29.7241 178.8737 147 A 4.0242 8.6257 120.6670 55.6612 18.0979 178.8816 148 N 4.7470 8.2621 109.7716 53.3956 38.7849 177.5337 149 R 3.9216 8.0314 122.4151 58.6069 30.2972 177.1742 150 A 3.9867 7.6749 121.5054 55.8364 18.3016 178.5510 151 Y 4.1519 7.3747 112.0268 58.4678 37.8679 177.5472 152 A 4.1467 7.8600 125.1469 54.2189 18.6971 180.3865 153 H 4.1697 7.4690 110.9057 58.4071 28.4539 175.0700 154 Y 4.9841 7.0505 117.2450 57.9757 38.3015 177.9276 155 R 3.8423 8.1146 121.5870 58.0527 30.5466 177.2135 156 W 4.2438 7.7034 118.6294 56.8736 30.2285 174.1517 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 2 A 8.26 4.31 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 3 R 8.13 3.88 0.00 1.86 1.96 0.00 3.22 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 4 R 7.57 4.03 0.00 1.83 1.77 0.00 3.24 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 5 R 7.63 4.41 0.00 1.88 1.80 0.00 3.22 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 6 R 8.54 4.15 0.00 1.82 1.90 0.00 3.45 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 A 7.64 3.59 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 8 E 8.41 3.97 0.00 1.97 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 2.32 2.31 0.00 9 V 8.40 3.47 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 0.75 0.00 0.00 0.93 0.00 0.00 10 R 8.53 3.89 0.00 1.81 1.85 0.00 3.28 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 11 Q 8.59 4.29 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 12 L 8.14 4.75 0.00 1.77 1.62 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.36 4.12 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 14 P 0.00 4.45 0.00 2.11 2.03 0.00 3.76 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 2.05 2.10 0.00 15 D 8.44 4.62 0.00 2.94 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 16 L 8.57 4.23 0.00 1.72 1.72 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.10 4.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.57 0.00 0.00 18 Y 7.75 4.58 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 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 0.00 0.00 0.00 0.00 20 D 7.97 4.89 0.00 2.74 2.56 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 0.00 0.00 0.00 0.00 21 V 8.64 4.00 2.10 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 1.24 0.00 0.00 0.96 0.00 0.00 22 L 8.01 4.00 0.00 1.71 1.99 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.83 3.33 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 0.76 0.00 0.00 0.67 0.00 0.00 24 T 7.93 3.80 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 1.29 0.00 0.00 25 A 8.10 4.08 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 26 F 8.27 4.40 0.00 3.20 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 27 I 7.52 3.37 1.84 0.00 0.00 -0.16 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 0.49 0.80 0.00 0.00 28 N 7.86 4.36 0.00 2.83 2.91 0.00 0.00 6.04 7.13 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 29 K 7.48 4.08 0.00 1.73 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.64 7.81 30 I 6.65 3.78 1.73 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.24 0.78 0.00 0.00 31 M 7.27 3.84 0.00 2.05 1.96 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 2.55 2.51 0.00 32 R 8.46 4.53 0.00 1.89 1.80 0.00 3.32 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 33 D 9.65 4.18 0.00 2.78 2.71 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 34 G 8.11 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 35 K 7.66 4.39 0.00 1.83 1.75 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.52 7.81 36 K 8.05 3.97 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 37 N 7.96 4.38 0.00 2.83 2.79 0.00 0.00 6.81 6.62 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 38 L 7.93 4.00 0.00 1.72 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.06 3.88 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 40 A 8.04 3.84 1.60 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 0.00 0.00 41 R 8.77 3.98 0.00 2.03 2.14 0.00 3.16 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 42 I 8.90 3.68 1.89 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 1.42 0.61 0.94 0.00 0.00 43 F 7.87 4.24 0.00 2.77 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 44 Y 7.64 3.96 0.00 3.31 2.92 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 45 D 8.45 4.38 0.00 2.90 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 46 A 8.09 4.00 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 47 C 7.91 3.99 0.00 3.09 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 48 K 8.32 4.02 0.00 1.99 1.85 0.00 1.70 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 1.81 1.64 7.81 49 I 8.15 4.29 1.83 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 1.78 2.46 0.91 0.00 0.00 50 I 7.60 3.83 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.79 0.99 0.00 0.00 51 Q 7.76 4.54 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 52 E 8.07 4.11 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 53 K 7.54 4.05 0.00 1.79 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.60 7.81 54 T 7.94 4.59 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 55 G 8.66 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 56 Q 7.63 4.64 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 57 E 8.54 4.30 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 58 P 0.00 4.17 0.00 2.13 2.34 0.00 3.77 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 2.18 2.16 0.00 59 L 8.06 3.82 0.00 1.88 1.86 0.93 0.77 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 60 K 8.78 3.99 0.00 1.92 1.92 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 61 V 7.87 3.67 2.29 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 1.02 0.00 0.00 0.96 0.00 0.00 62 F 8.91 4.15 0.00 3.23 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 63 K 8.39 3.60 0.00 2.05 1.85 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 64 Q 7.97 3.84 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 65 A 7.82 3.93 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 66 V 7.26 3.39 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 0.44 0.00 0.00 0.54 0.00 0.00 67 E 7.91 3.97 0.00 2.04 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 2.28 2.34 0.00 68 N 7.81 4.51 0.00 2.71 2.84 0.00 0.00 6.83 7.84 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 69 V 7.36 4.35 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 1.28 0.00 0.00 1.02 0.00 0.00 70 K 7.37 4.56 0.00 1.80 1.75 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.28 7.81 71 P 0.00 4.29 0.00 2.33 2.41 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 72 R 8.87 4.07 0.00 1.95 2.00 0.00 3.25 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 73 M 7.59 5.15 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 74 E 8.89 4.80 0.00 2.09 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 0.00 2.22 2.33 0.00 75 V 8.35 4.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 76 R 9.15 4.81 0.00 1.85 1.94 0.00 3.16 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 77 S 8.81 4.86 0.00 3.79 4.01 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 78 R 9.15 4.65 0.00 2.00 1.81 0.00 2.98 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 79 R 8.29 4.59 0.00 1.58 1.67 0.00 3.30 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 80 V 8.46 3.77 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 81 G 9.02 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.22 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 83 A 7.25 4.19 1.10 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 84 N 8.56 4.94 0.00 2.64 2.67 0.00 0.00 7.07 7.54 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 85 Y 8.57 4.92 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.60 4.60 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 87 V 8.69 4.10 2.33 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 1.17 0.00 0.00 1.27 0.00 0.00 88 P 0.00 5.13 0.00 2.11 2.18 0.00 3.94 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 89 M 8.41 4.45 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 90 E 8.72 4.30 0.00 1.87 1.77 0.00 0.00 0.00 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 2.32 0.00 91 V 7.92 4.26 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 0.82 0.00 0.00 0.94 0.00 0.00 92 S 8.61 4.17 0.00 3.90 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 93 P 0.00 4.23 0.00 2.27 2.27 0.00 3.72 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 2.05 2.04 0.00 94 R 7.94 3.87 0.00 1.85 2.00 0.00 3.11 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 95 R 7.70 3.95 0.00 1.83 2.03 0.00 3.19 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 96 Q 8.29 3.81 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 97 Q 8.14 3.63 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 98 S 7.95 4.01 0.00 3.82 3.83 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 99 L 7.71 3.25 0.00 0.82 0.13 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.43 3.97 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 0.00 101 L 8.27 3.78 0.00 1.68 1.90 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.72 4.01 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 103 W 8.46 4.62 0.00 3.50 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 8.19 4.05 0.00 2.02 1.82 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.17 3.67 2.28 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 1.02 0.00 0.00 1.14 0.00 0.00 106 Q 9.11 3.81 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.91 0.00 107 A 8.53 4.05 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 0.00 108 A 8.50 4.25 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 0.00 109 N 8.47 4.39 0.00 2.83 2.92 0.00 0.00 7.16 7.60 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 0.00 110 Q 7.57 4.16 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 111 R 7.29 4.15 0.00 2.02 2.15 0.00 3.22 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 112 P 0.00 4.36 0.00 2.18 2.18 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 113 E 8.08 4.05 0.00 2.13 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 0.00 2.33 2.38 0.00 114 R 8.05 4.15 0.00 1.84 1.97 0.00 3.21 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 115 R 7.70 4.12 0.00 1.86 1.87 0.00 3.32 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 116 A 8.87 4.04 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 0.00 117 A 8.01 3.97 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 0.00 118 V 7.87 3.63 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 0.89 0.00 0.00 1.10 0.00 0.00 119 R 7.79 4.01 0.00 2.05 2.15 0.00 3.28 0.00 0.00 3.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 120 I 8.20 3.38 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 1.30 0.00 0.00 121 A 8.12 4.02 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 0.00 122 H 8.27 4.13 0.00 3.38 3.39 0.00 5.66 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 0.00 123 E 9.17 3.91 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 124 L 8.03 3.96 0.00 2.14 1.81 1.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.12 4.10 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.61 0.00 126 D 8.88 4.76 0.00 2.79 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 0.00 127 A 8.11 4.10 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 0.00 128 A 7.61 3.94 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 0.00 129 E 8.34 4.03 0.00 2.03 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 0.00 2.32 2.47 0.00 130 G 7.33 3.60 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 0.00 0.00 0.00 131 K 8.44 3.85 0.00 2.12 1.90 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 132 G 8.65 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 0.00 133 G 8.67 3.62 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 0.00 134 A 8.13 4.10 1.57 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 0.00 135 V 7.62 3.61 2.16 0.00 0.00 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 1.00 0.00 0.00 136 K 8.07 4.26 0.00 1.95 1.80 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.51 7.81 137 K 7.50 3.74 0.00 1.41 1.14 0.00 1.54 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.56 7.81 138 K 7.49 3.97 0.00 2.17 2.01 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.87 7.81 139 E 9.38 3.96 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 140 D 7.86 4.22 0.00 2.88 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 0.00 141 V 7.59 3.60 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 1.09 0.00 0.00 0.79 0.00 0.00 142 E 8.06 4.04 0.00 2.15 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 0.00 2.35 2.39 0.00 143 R 7.67 3.88 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 144 M 8.13 4.07 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 145 A 7.42 3.96 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 0.00 146 E 8.09 4.01 0.00 2.16 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 2.34 2.47 0.00 147 A 8.63 4.02 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 0.00 148 N 8.26 4.75 0.00 2.89 2.91 0.00 0.00 6.81 8.02 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 0.00 149 R 8.03 3.92 0.00 1.84 1.96 0.00 3.47 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 150 A 7.67 3.99 0.95 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 0.00 151 Y 7.37 4.15 0.00 3.01 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 0.00 152 A 7.86 4.15 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 0.00 153 H 7.47 4.17 0.00 3.04 3.33 0.00 5.52 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 0.00 154 Y 7.05 4.98 0.00 3.38 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 0.00 155 R 8.11 3.84 0.00 1.86 1.96 0.00 3.22 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 156 W 7.70 4.24 0.00 3.62 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