NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4829 8.3231 115.4129 56.6735 66.3122 171.1223 2 G 3.7316 10.2472 113.9815 44.1033 0.0000 175.6409 3 R 3.6695 10.6400 121.2386 54.9283 30.5914 174.5935 4 G 3.7970 10.1609 107.4027 45.6260 0.0000 175.4989 5 K 3.9306 9.2367 124.1236 55.6837 31.9572 177.2500 6 Q 3.7685 7.9264 116.3963 56.6321 29.4173 173.9884 7 G 4.1304 7.5202 107.1770 45.6432 0.0000 172.4929 8 G 4.2333 7.7993 109.9914 45.2477 0.0000 174.4909 9 K 3.8606 9.5265 118.4185 57.4168 33.4250 175.9088 10 T 3.5084 8.5332 105.8317 62.5838 67.5006 173.7302 11 R 3.9859 8.1193 113.9437 58.3498 29.4430 176.0433 12 A 4.3903 7.4699 122.2994 51.0422 19.6215 178.9625 13 K 4.2135 8.2813 119.0534 56.0828 30.0400 177.5105 14 A 3.7267 8.2729 122.8711 54.3187 18.0959 178.2444 15 K 4.6428 8.3286 114.5014 53.0173 35.7006 177.3091 16 T 4.1507 7.7988 113.4326 61.6842 70.7623 176.0466 17 R 3.9879 8.4639 120.9291 59.4198 30.1411 179.5085 18 S 4.1793 8.0765 114.9537 61.5041 62.9175 176.6435 19 S 4.1416 8.1772 116.9406 61.7075 62.5321 176.8755 20 R 3.9745 7.9223 120.3077 58.0992 29.8559 177.9161 21 A 4.4484 7.8232 118.4622 51.2241 19.2460 177.2139 22 G 3.8254 7.9906 105.1123 46.5466 0.0000 173.7618 23 L 4.8714 8.2860 118.2234 52.7281 44.5167 176.7999 24 Q 4.3740 9.4688 119.8997 57.7021 29.5759 177.2228 25 F 4.1706 8.5338 116.0470 56.2134 39.7605 174.2219 26 P 4.4023 0.0000 0.0000 62.7945 30.8293 177.2755 27 V 3.7381 8.9572 125.6241 66.2114 31.5111 177.8911 28 G 3.6380 8.0812 104.9713 47.7933 0.0000 175.4761 29 R 3.9018 7.9396 120.6999 59.2060 30.2234 178.6146 30 V 3.6676 7.9954 118.1133 66.0694 31.4909 177.5011 31 H 4.1320 8.5347 118.4240 59.3641 29.7618 177.2216 32 R 3.9487 8.3282 120.7477 59.5228 29.8666 178.4917 33 L 4.0941 8.4876 119.2528 57.5956 41.2743 179.4537 34 L 4.2566 8.2174 119.0886 58.0027 41.4726 179.7523 35 R 4.0572 8.2813 118.2641 58.8826 29.8645 178.5515 36 K 4.2631 8.1911 115.8788 57.8396 33.1839 178.2586 37 G 3.4297 7.7508 105.7502 44.2719 0.0000 173.0393 38 N 4.1641 7.3650 116.6518 54.5797 36.5095 175.2300 39 Y 4.2760 7.3178 113.7658 60.5130 38.6405 176.0490 40 A 4.5218 7.5374 118.6745 50.9815 22.0073 175.5286 41 E 4.0989 9.0941 120.9281 58.8050 29.7259 177.4708 42 R 4.7443 7.7146 114.2199 54.1236 33.6364 175.0085 43 V 4.3245 8.1767 118.7225 60.7752 33.8126 175.8350 44 G 3.7887 8.5488 115.8959 45.1173 0.0000 173.8045 45 A 4.0065 8.6274 123.7077 54.9288 18.6826 179.5735 46 G 3.7345 8.0795 103.5779 47.6074 0.0000 175.6222 47 A 3.9543 7.9290 123.1263 54.7942 18.4187 177.9564 48 P 4.2302 0.0000 0.0000 65.4013 31.3966 178.8717 49 V 3.6084 7.6917 118.2236 66.0305 31.6953 177.0486 50 Y 3.8456 8.2284 119.4900 60.6889 38.5762 177.8980 51 L 4.0583 8.3814 121.1780 58.1126 42.1368 178.7243 52 A 4.0638 8.2607 120.6036 55.1223 18.2877 179.4993 53 A 3.8311 7.9865 119.3856 55.1366 18.3353 180.1224 54 V 3.5373 7.6259 116.7664 66.0554 31.6290 178.2680 55 L 3.8771 8.0559 118.9777 57.7019 41.4314 179.1698 56 E 2.5400 7.6647 119.2691 58.7959 29.4986 178.1700 57 Y 3.9489 7.8712 119.5549 60.7631 38.8530 178.1684 58 L 3.6063 7.9880 119.9307 57.8353 41.5689 179.6556 59 T 3.8046 7.6851 115.6116 66.5061 68.3491 176.6131 60 A 3.8961 7.9207 122.7783 54.8946 18.4353 179.3254 61 E 3.6766 7.7998 117.8174 59.5337 29.6491 179.2346 62 I 3.7462 7.5699 119.8343 64.2416 37.0571 178.4789 63 L 4.0300 8.1790 120.2336 57.4022 41.3746 179.0897 64 E 3.8798 8.2716 119.4544 59.4414 29.6408 179.0237 65 L 4.0042 7.8343 118.5380 57.6385 41.5674 179.3703 66 A 4.3061 8.5592 121.4725 54.8619 18.2836 179.9609 67 G 3.5111 8.3752 104.7101 48.0408 0.0000 175.7378 68 N 4.3301 8.2222 118.7793 55.9606 38.3877 177.4175 69 A 3.9533 8.0036 122.0585 54.9363 18.4447 179.5236 70 A 3.3888 8.1487 119.6443 55.1396 18.5658 179.7926 71 R 3.8348 8.0378 117.2162 59.7316 29.9599 178.3434 72 D 4.5379 8.0692 116.9433 56.1025 40.8250 177.2942 73 N 4.7948 7.3295 115.6413 52.0325 39.0245 174.6057 74 K 3.9277 7.8069 117.8359 57.6479 29.9196 175.8459 75 K 4.7323 8.3949 116.8098 54.9464 35.3527 176.5956 76 T 4.3546 8.4469 109.7044 61.3543 70.0930 174.1596 77 R 4.5002 7.7016 122.7048 54.1355 31.6102 175.0979 78 I 4.0265 8.4712 127.1380 61.2883 37.6618 175.3215 79 I 4.5477 7.9830 117.8041 57.7081 40.5952 174.3457 80 P 4.1905 0.0000 0.0000 65.9602 30.8495 178.5733 81 R 3.8448 7.9481 116.6965 60.0574 29.9223 178.1586 82 H 4.4231 8.0252 115.7211 58.6934 28.6419 177.8781 83 L 4.0368 7.7331 120.6270 57.5700 41.4746 179.0341 84 Q 3.9437 8.3135 119.7123 59.1832 29.1241 178.1438 85 L 3.9541 8.3528 120.2024 57.8447 41.4513 179.4197 86 A 3.9761 7.8381 119.3449 55.1720 18.6056 179.6377 87 V 3.6842 7.8991 116.6712 66.2756 31.4757 178.5956 88 R 4.0170 8.1305 116.6177 58.8028 30.0650 177.2254 89 N 4.5308 7.9712 112.9733 53.6029 39.1009 174.7154 90 D 4.7709 7.6446 118.9643 52.1166 42.7739 175.5064 91 E 3.8986 8.8449 128.1868 59.8899 29.4866 178.7174 92 E 4.0145 8.0873 117.6246 59.3711 29.5964 179.1700 93 L 3.9749 8.5621 119.4180 57.6679 41.5855 178.9469 94 N 4.2705 8.6031 117.5785 56.5178 38.8228 176.9225 95 K 4.0297 7.8407 120.5782 59.3840 32.1469 178.5393 96 L 4.0136 7.9867 119.6105 57.4005 42.4212 178.0820 97 L 4.8200 8.2053 118.6481 54.4609 42.8679 179.0506 98 G 3.7526 7.9711 110.8256 48.0047 0.0000 175.3583 99 R 4.6417 7.8473 118.1293 55.8196 31.0142 175.3372 100 V 4.4345 7.5601 116.2063 61.2112 33.9683 174.6401 101 T 4.4539 8.3610 122.0829 61.7850 70.3530 173.9044 102 I 4.1144 8.1891 127.5847 59.4311 37.3902 175.2128 103 A 4.0717 8.5266 128.7503 53.7948 18.6064 176.4739 104 Q 3.5235 8.6647 118.3287 56.9419 26.4855 175.2453 105 G 3.7007 7.9506 108.2574 45.2808 0.0000 176.4434 106 G 3.8545 7.9813 107.5930 44.9434 0.0000 172.3336 107 V 4.5585 7.9120 111.1863 59.1133 35.6238 175.0797 108 L 4.2819 8.1792 120.6917 53.6364 42.2105 175.6687 109 P 4.2568 0.0000 0.0000 62.8049 31.7251 175.8553 110 N 4.3302 8.2145 117.3602 53.1783 41.0155 173.3141 111 I 4.4995 8.2417 126.8640 59.0354 39.8289 175.6983 112 Q 4.0994 8.6369 124.8060 55.7905 29.4468 177.1786 113 S 4.1172 9.0934 118.0347 61.5570 62.7657 177.1216 114 V 3.6690 7.7594 118.5729 63.6208 31.0743 176.6974 115 L 4.2825 7.8177 119.4804 55.7269 42.0066 177.2702 116 L 4.1950 7.6265 118.9980 53.4461 42.1402 175.0568 117 P 4.1622 0.0000 0.0000 64.1968 31.8898 174.5355 118 K 3.5337 8.5934 120.9694 57.8911 28.7453 174.1321 119 K 3.7592 7.5368 124.8405 56.6589 32.5484 175.0843 120 T 3.9882 7.1069 117.8673 63.8607 71.0355 173.1788 121 E 4.5488 8.8275 123.7858 55.3757 30.5490 175.2428 122 S 4.1053 8.7556 120.0783 61.0721 63.4936 175.9171 123 S 3.2544 8.3198 114.9830 58.0228 61.8396 168.7532 124 K 3.9868 8.8604 123.6995 55.7862 31.6795 175.2159 125 S 4.5395 8.3335 112.4383 57.5782 63.9693 174.5319 126 K 3.9681 7.8040 121.0141 58.4287 32.3160 176.7102 127 S 4.6745 7.8266 112.1798 57.6132 63.8721 174.0745 128 K 4.1321 7.8441 127.4245 56.8105 32.1506 175.4269 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 S 8.32 4.48 0.00 3.99 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 2 G 10.25 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 3 R 10.64 3.67 0.00 1.96 1.79 0.00 3.20 0.00 0.00 3.23 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 4 G 10.16 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 3.93 0.00 1.95 1.96 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 6 Q 7.93 3.77 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 7 G 7.52 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 0.00 0.00 0.00 0.00 8 G 7.80 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 0.00 0.00 0.00 0.00 9 K 9.53 3.86 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 T 8.53 3.51 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 11 R 8.12 3.99 0.00 1.94 2.32 0.00 3.03 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 12 A 7.47 4.39 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 13 K 8.28 4.21 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 14 A 8.27 3.73 1.22 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 15 K 8.33 4.64 0.00 1.73 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.33 7.81 16 T 7.80 4.15 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 1.22 0.00 0.00 17 R 8.46 3.99 0.00 1.91 2.05 0.00 3.18 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.08 4.18 0.00 3.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.18 4.14 0.00 4.07 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 0.00 20 R 7.92 3.97 0.00 1.98 2.05 0.00 3.16 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 21 A 7.82 4.45 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 22 G 7.99 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 0.00 0.00 0.00 23 L 8.29 4.87 0.00 1.61 1.79 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.47 4.37 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 25 F 8.53 4.17 0.00 2.94 3.04 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 26 P 0.00 4.40 0.00 2.25 2.19 0.00 3.55 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 2.04 1.89 0.00 27 V 8.96 3.74 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 1.13 0.00 0.00 1.03 0.00 0.00 28 G 8.08 3.64 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 0.00 0.00 0.00 29 R 7.94 3.90 0.00 1.89 2.10 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 30 V 8.00 3.67 2.27 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 1.02 0.00 0.00 1.05 0.00 0.00 31 H 8.53 4.13 0.00 3.38 3.40 0.00 5.65 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 32 R 8.33 3.95 0.00 1.93 2.17 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 33 L 8.49 4.09 0.00 1.77 1.79 0.96 0.52 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 34 L 8.22 4.26 0.00 1.96 1.82 0.90 0.61 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 35 R 8.28 4.06 0.00 2.07 2.01 0.00 3.10 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 36 K 8.19 4.26 0.00 1.91 2.07 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.45 7.81 37 G 7.75 3.43 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 0.00 38 N 7.36 4.16 0.00 2.76 2.79 0.00 0.00 6.97 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.32 4.28 0.00 3.08 2.99 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 40 A 7.54 4.52 1.24 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 0.00 0.00 41 E 9.09 4.10 0.00 1.95 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 2.31 2.36 0.00 42 R 7.71 4.74 0.00 1.81 1.80 0.00 3.21 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.18 4.32 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 0.78 0.00 0.00 1.01 0.00 0.00 44 G 8.55 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 45 A 8.63 4.01 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 46 G 8.08 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 47 A 7.93 3.95 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 48 P 0.00 4.23 0.00 2.43 2.30 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.66 0.00 49 V 7.69 3.61 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 1.03 0.00 0.00 1.01 0.00 0.00 50 Y 8.23 3.85 0.00 3.24 2.98 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 51 L 8.38 4.06 0.00 1.89 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.26 4.06 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 53 A 7.99 3.83 1.26 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 0.00 0.00 54 V 7.63 3.54 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 1.16 0.00 0.00 1.00 0.00 0.00 55 L 8.06 3.88 0.00 1.78 1.73 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.66 2.54 0.00 1.33 1.76 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 2.15 2.12 0.00 57 Y 7.87 3.95 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 58 L 7.99 3.61 0.00 1.63 1.61 0.95 0.69 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 59 T 7.69 3.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 60 A 7.92 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.80 3.68 0.00 1.57 1.76 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 2.15 2.27 0.00 62 I 7.57 3.75 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.89 0.00 0.00 63 L 8.18 4.03 0.00 1.70 1.70 0.95 1.04 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 64 E 8.27 3.88 0.00 2.10 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 2.28 2.37 0.00 65 L 7.83 4.00 0.00 1.74 1.68 0.89 0.79 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 66 A 8.56 4.31 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 67 G 8.38 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.22 4.33 0.00 2.93 2.86 0.00 0.00 6.92 7.25 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 69 A 8.00 3.95 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 70 A 8.15 3.39 1.26 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 0.00 0.00 71 R 8.04 3.83 0.00 2.04 2.06 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 72 D 8.07 4.54 0.00 2.80 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 73 N 7.33 4.79 0.00 2.77 2.84 0.00 0.00 7.03 7.49 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 74 K 7.81 3.93 0.00 1.95 1.94 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 75 K 8.39 4.73 0.00 1.73 1.70 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.54 7.81 76 T 8.45 4.35 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 77 R 7.70 4.50 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 78 I 8.47 4.03 1.90 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 1.50 0.67 0.94 0.00 0.00 79 I 7.98 4.55 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 0.94 0.00 0.00 80 P 0.00 4.19 0.00 2.30 2.29 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 81 R 7.95 3.84 0.00 1.86 1.80 0.00 3.26 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 82 H 8.03 4.42 0.00 3.35 3.50 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.73 4.04 0.00 1.83 1.71 0.92 0.89 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 84 Q 8.31 3.94 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 85 L 8.35 3.95 0.00 1.86 1.72 0.96 0.96 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 86 A 7.84 3.98 1.40 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 0.00 0.00 87 V 7.90 3.68 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 1.02 0.00 0.00 0.96 0.00 0.00 88 R 8.13 4.02 0.00 1.88 1.98 0.00 3.40 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 89 N 7.97 4.53 0.00 2.87 2.85 0.00 0.00 6.79 7.97 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 90 D 7.64 4.77 0.00 2.87 2.52 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 91 E 8.84 3.90 0.00 2.07 1.96 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 2.39 2.44 0.00 92 E 8.09 4.01 0.00 2.06 1.99 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 2.41 2.41 0.00 93 L 8.56 3.97 0.00 1.66 1.70 0.88 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 94 N 8.60 4.27 0.00 3.04 3.01 0.00 0.00 6.84 6.45 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 95 K 7.84 4.03 0.00 1.87 1.95 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 L 7.99 4.01 0.00 1.66 1.84 0.93 1.23 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 97 L 8.21 4.82 0.00 1.76 1.64 0.92 0.86 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 98 G 7.97 3.75 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 0.00 0.00 0.00 99 R 7.85 4.64 0.00 1.78 1.91 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 100 V 7.56 4.43 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 0.81 0.00 0.00 0.94 0.00 0.00 101 T 8.36 4.45 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 0.00 102 I 8.19 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.91 0.00 0.00 103 A 8.53 4.07 1.24 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 0.00 0.00 104 Q 8.66 3.52 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 7.95 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 0.00 0.00 0.00 106 G 7.98 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 0.00 107 V 7.91 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.18 4.28 0.00 1.64 1.59 1.03 1.02 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 0.00 109 P 0.00 4.26 0.00 2.04 2.00 0.00 3.71 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 2.03 2.07 0.00 110 N 8.21 4.33 0.00 2.62 2.66 0.00 0.00 6.96 7.94 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 0.00 111 I 8.24 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.91 0.00 0.00 112 Q 8.64 4.10 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 113 S 9.09 4.12 0.00 3.99 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 0.00 114 V 7.76 3.67 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 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.82 4.28 0.00 1.74 1.76 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.63 4.19 0.00 1.75 1.60 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.16 0.00 2.03 2.02 0.00 3.75 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 2.04 2.11 0.00 118 K 8.59 3.53 0.00 2.05 2.00 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.41 7.81 119 K 7.54 3.76 0.00 1.88 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.44 7.81 120 T 7.11 3.99 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 0.00 121 E 8.83 4.55 0.00 1.86 1.81 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 2.12 2.15 0.00 122 S 8.76 4.11 0.00 3.86 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 0.00 123 S 8.32 3.25 0.00 4.28 3.64 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 0.00 124 K 8.86 3.99 0.00 1.95 1.81 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.35 7.81 125 S 8.33 4.54 0.00 3.75 3.78 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 0.00 0.00 0.00 126 K 7.80 3.97 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 127 S 7.83 4.67 0.00 3.99 3.91 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 0.00 128 K 7.84 4.13 0.00 1.69 1.84 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.33 7.81