NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1021 8.0549 114.0555 60.9115 33.0806 174.2365 2 L 3.9995 8.0964 120.4346 52.6043 42.1246 176.3947 3 S 4.4197 9.4725 118.8514 58.0488 65.8976 174.9500 4 E 4.3377 8.8165 122.3777 59.4720 29.2416 178.9837 5 G 3.6220 8.1124 105.3918 47.7794 0.0000 175.3631 6 E 4.0181 8.1385 120.7918 58.8218 29.4729 179.2800 7 W 4.4151 8.5535 119.5806 59.6698 28.9539 178.4150 8 Q 4.1201 8.5357 118.3601 59.1776 27.9273 179.0104 9 L 4.0391 7.7790 119.7919 57.7215 41.6532 179.8685 10 V 3.7686 7.8970 118.0971 66.2576 31.6452 178.1418 11 L 4.3268 8.3770 118.5207 57.5817 40.4909 178.8697 12 H 4.2575 8.6913 119.1660 59.1834 29.8835 177.7005 13 V 3.9251 7.8203 120.8743 64.5180 31.1908 178.2387 14 W 3.8503 8.3886 128.8296 59.9968 30.3051 177.8321 15 A 3.9938 8.0581 120.1296 54.9089 17.9923 179.4220 16 K 3.9860 7.4227 117.6020 59.3545 32.2366 179.5556 17 V 2.9021 7.1226 118.3255 65.7280 30.9660 177.5179 18 E 3.9595 7.6318 116.1629 57.8802 29.4202 178.3223 19 A 4.2196 7.5449 120.4528 53.5965 19.6277 177.6078 20 D 4.6612 7.7529 116.5816 52.0820 42.6469 175.5387 21 V 3.4750 7.8694 123.1858 65.7056 32.2337 176.8078 22 A 4.1661 7.9898 120.1818 54.9484 18.3161 179.7487 23 G 3.5317 8.3219 105.6264 47.7680 0.0000 175.7302 24 H 4.1739 8.3086 119.1319 58.4985 28.8227 178.2515 25 G 3.5873 8.5922 107.8954 47.5194 0.0000 175.6419 26 Q 3.9031 7.9388 121.6122 58.9766 29.1129 177.7705 27 D 4.2846 7.9116 119.7976 57.2958 40.7746 178.8491 28 I 3.6350 7.6711 120.1775 64.4109 37.0684 178.5054 29 L 3.4620 7.5323 119.3413 57.6271 41.3515 179.6236 30 I 3.6032 7.5197 119.6955 64.3529 36.9240 178.4881 31 R 3.8001 7.9367 119.4975 59.0715 29.8728 178.2445 32 L 3.9029 7.8581 120.2918 58.3080 41.8790 179.0526 33 F 4.6097 7.9168 117.9209 60.5796 38.5695 177.8792 34 K 4.0457 8.0276 117.1738 59.4910 32.0889 179.4386 35 S 4.2865 8.1464 114.6044 60.4390 64.0376 174.5549 36 H 4.7391 7.9628 118.3797 51.9754 29.5738 171.7198 37 P 4.5388 0.0000 0.0000 64.6174 30.9188 177.5272 38 E 4.1001 8.2087 116.1372 59.3654 29.3468 179.0849 39 T 3.9249 8.1445 111.0774 64.3555 68.8129 176.4664 40 L 3.8782 7.9363 123.5885 57.8798 41.8220 178.5260 41 E 4.1368 7.8224 116.5791 58.5655 29.4429 178.8433 42 K 4.4276 7.9021 117.7699 57.1941 32.6072 177.2426 43 F 4.7086 8.3616 119.2851 55.6090 39.9974 175.8566 44 D 4.4292 8.5555 125.4470 57.1324 40.9352 179.1322 45 R 4.0225 7.7901 113.4198 57.5701 29.8909 176.7116 46 F 5.0843 7.7271 115.8952 57.0946 40.3978 176.8482 47 K 4.1538 7.7386 119.6153 58.5777 31.8938 177.5924 48 H 4.4973 8.0782 113.3495 56.8194 29.2185 175.4050 49 L 4.2694 7.5345 121.4260 54.3581 41.8008 176.4903 50 K 4.3201 9.6946 123.9619 57.0560 33.8204 177.1259 51 T 4.6433 7.5602 107.8021 59.4078 72.6464 174.6596 52 E 3.9145 8.5558 121.2138 59.2183 29.7629 178.6147 53 A 3.9579 7.9421 120.4320 55.3126 18.2992 179.2921 54 E 3.9493 8.0062 115.8011 59.6964 29.8961 179.2769 55 M 4.1535 7.9808 118.7646 58.4228 31.8508 178.9780 56 K 3.9536 8.0989 117.2528 59.2913 32.2223 178.9114 57 A 4.2455 7.6083 119.8467 53.2438 18.5324 177.5783 58 S 4.2833 7.5844 113.2990 57.8895 62.9246 174.7494 59 E 4.0140 8.9234 128.1601 59.5282 29.2838 178.7359 60 D 4.4238 8.1517 117.7666 57.1518 41.3301 177.8780 61 L 3.5425 8.1611 121.0430 57.8188 42.0352 178.7661 62 K 3.8343 7.7993 119.6810 59.3460 32.1549 178.5358 63 K 3.9327 8.3667 120.2203 59.9847 32.1755 178.3058 64 H 4.5041 8.7107 118.5725 59.0465 29.7903 177.4458 65 G 3.5885 8.3858 107.9980 47.5925 0.0000 175.8651 66 V 3.6166 7.8879 120.5465 66.0746 31.5693 178.1851 67 T 3.8888 7.7013 115.0375 66.6845 68.2617 176.7851 68 V 3.6057 7.7972 119.9382 66.1338 31.6099 178.1917 69 L 4.2613 7.9863 118.5808 57.9138 41.3877 179.6563 70 T 4.0164 8.1204 115.9747 66.4668 68.2235 176.7211 71 A 4.0413 8.0779 122.7942 54.9837 18.3645 179.4825 72 L 3.7445 8.2994 119.2707 57.9781 42.1042 179.4775 73 G 3.3524 8.4616 105.7841 47.5802 0.0000 175.5451 74 A 4.0318 7.7802 122.2665 54.8708 18.6130 179.6530 75 I 3.8166 7.3749 118.3366 64.6120 37.3759 178.7172 76 L 3.9283 7.7489 119.7658 57.6094 41.5197 178.8863 77 K 4.1178 7.7937 115.1928 57.0378 31.9905 177.4857 78 K 4.0901 7.9284 118.6844 55.4119 33.2342 176.0009 79 K 2.0000 8.0448 117.8899 56.3683 29.5400 174.8202 80 G 3.9993 7.7512 105.8076 45.7382 0.0000 172.9097 81 H 4.5597 7.4758 119.0924 55.1144 27.4385 174.7774 82 H 5.5597 7.6521 111.5326 54.2900 29.8445 176.2834 83 E 3.9512 8.5113 121.2097 60.5319 28.6499 178.8414 84 A 4.1593 7.9087 119.4225 54.1062 17.8504 178.7038 85 E 4.1795 8.1110 116.7661 58.8647 29.7797 178.5569 86 L 4.3464 8.0894 120.5275 57.5063 42.1982 178.5201 87 K 3.8580 7.9133 119.3083 59.3636 32.0201 177.0208 88 P 4.3155 0.0000 0.0000 65.1183 31.2494 178.3638 89 L 4.0091 7.5354 119.3567 58.1858 41.9971 178.8665 90 A 4.1584 8.3034 120.9385 55.3460 18.2775 179.6060 91 Q 3.8723 8.1731 116.7303 59.0877 28.8342 179.2895 92 S 3.9970 8.3005 115.4138 61.8802 63.1387 176.2502 93 H 4.4598 8.6682 119.6587 58.4448 26.8293 176.7700 94 A 3.1169 8.1890 124.3534 54.3465 17.7925 179.4583 95 T 3.7628 7.7916 109.1573 62.9634 69.4416 175.7685 96 K 4.1439 7.4135 120.5767 58.3178 33.1794 176.9671 97 H 4.2613 8.1203 114.3166 56.0371 29.4474 175.1806 98 K 3.6055 6.8907 117.7915 57.1853 30.2177 176.0185 99 I 4.2396 8.0251 119.9751 58.9142 38.3735 174.9312 100 P 4.7796 0.0000 0.0000 62.0262 32.0027 177.5550 101 I 3.4859 8.4884 122.8822 64.5776 36.9102 178.3477 102 K 3.6501 7.9150 119.7474 59.7460 31.8763 178.2024 103 Y 4.0001 7.8465 116.8201 60.6596 37.8767 178.0209 104 L 4.1753 7.8209 119.8088 57.3573 41.6554 179.0299 105 E 4.0014 7.8707 119.3200 59.0512 29.5644 178.6418 106 F 4.4647 7.7646 117.8653 60.7869 38.9423 177.5557 107 I 3.7536 8.1620 118.1360 64.0925 37.6404 178.1080 108 S 4.2059 8.1926 116.1403 61.5831 62.5864 176.4353 109 E 4.0791 8.5292 121.1747 59.2441 29.2150 179.1857 110 A 4.0112 8.2939 121.0970 55.2299 18.3568 179.6728 111 I 3.7042 8.1459 118.6088 64.6849 37.2077 178.8203 112 I 3.8422 7.7438 120.2737 64.4284 36.9946 177.7423 113 H 4.0510 8.4745 119.2916 59.5784 29.7133 177.4774 114 V 3.6500 7.9438 119.7457 65.9663 31.2156 177.9088 115 L 3.9121 8.1787 118.8911 57.3627 41.0281 178.8413 116 H 4.5019 7.9108 118.0014 59.1923 29.9088 176.9956 117 S 4.1867 7.9609 116.1730 61.2763 62.7891 176.1480 118 R 4.2795 7.6624 117.9665 56.5614 31.3424 176.4646 119 H 4.9083 7.8362 116.0365 53.2931 29.8718 171.8347 120 P 4.2291 0.0000 0.0000 66.3778 31.4271 178.9592 121 G 3.9273 8.0077 106.0939 45.7319 0.0000 173.2326 122 D 4.9422 7.7618 117.0503 53.8022 43.5196 175.8229 123 F 4.9833 8.1568 120.1126 56.1647 39.1303 173.8571 124 G 3.8654 7.5943 110.9570 43.7484 0.0000 171.5589 125 A 3.8718 8.4558 121.1732 55.1592 18.1179 179.4913 126 D 4.1900 7.9439 116.8366 56.7118 39.5103 178.6247 127 A 3.9882 7.7113 121.7317 54.3842 18.4419 179.2353 128 Q 3.3390 7.7639 118.7359 58.9560 29.0188 178.6675 129 G 3.4805 8.3408 107.0777 47.5406 0.0000 175.5781 130 A 3.8502 7.9056 123.2611 55.1764 18.3228 179.4679 131 M 4.0278 8.0509 116.7416 58.7294 32.2803 177.9929 132 N 4.3511 8.2465 117.4078 56.3979 39.1001 177.0634 133 K 3.8733 8.0281 119.8819 59.4023 32.1269 179.1793 134 A 3.8860 8.0296 121.0525 55.0620 18.2635 179.7219 135 L 4.1239 8.3120 117.7729 57.7811 41.6593 179.4820 136 E 4.0510 8.3651 118.9385 58.9275 29.4000 179.0043 137 L 3.9675 8.0022 120.7388 57.9087 42.3051 178.3961 138 F 4.1488 8.3738 120.6607 61.7832 39.2975 177.3152 139 R 3.5180 8.1741 117.3008 59.0216 29.6733 179.1101 140 K 3.8789 7.8688 119.4085 59.5380 32.0952 178.7572 141 D 4.3336 8.1207 119.2249 57.2626 40.7028 178.8225 142 I 3.5532 7.3593 119.8569 64.0976 36.9250 178.3055 143 A 3.7195 7.6893 121.4664 54.9071 18.2051 179.5775 144 A 3.9572 7.6989 119.4899 55.1623 18.4417 180.0354 145 K 4.0625 7.8285 117.2822 59.4871 32.0586 179.1923 146 Y 4.1309 8.6106 117.6675 61.0051 37.9597 178.4948 147 K 3.9215 8.3556 120.5503 59.6155 32.0690 178.1347 148 E 3.9569 7.9121 118.0380 59.5132 29.5969 178.5228 149 L 4.3229 7.7638 117.2567 55.7041 41.8355 177.9500 150 G 3.9799 7.7676 106.5522 45.4387 0.0000 173.6487 151 Y 4.1460 7.6758 116.4066 58.2178 39.6763 178.1164 152 Q 3.2819 7.7148 117.9894 57.2959 26.5297 176.1262 153 G 4.2739 8.5619 110.5602 45.5413 0.0000 171.1594 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 V 8.05 4.10 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 0.92 0.00 0.00 0.98 0.00 0.00 2 L 8.10 4.00 0.00 0.70 0.70 0.56 -0.69 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 3 S 9.47 4.42 0.00 4.01 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 4 E 8.82 4.34 0.00 2.19 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 2.43 2.52 0.00 5 G 8.11 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 6 E 8.14 4.02 0.00 1.91 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 2.23 2.26 0.00 7 W 8.55 4.42 0.00 3.53 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 8 Q 8.54 4.12 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 9 L 7.78 4.04 0.00 1.87 1.75 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.90 3.77 2.48 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 1.22 0.00 0.00 0.90 0.00 0.00 11 L 8.38 4.33 0.00 1.87 1.80 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.69 4.26 0.00 3.40 3.42 0.00 5.78 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 13 V 7.82 3.93 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 0.84 0.00 0.00 1.08 0.00 0.00 14 W 8.39 3.85 0.00 3.66 3.16 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 0.00 0.00 0.00 0.00 15 A 8.06 3.99 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 16 K 7.42 3.99 0.00 1.93 1.73 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 17 V 7.12 2.90 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 0.00 0.00 -0.10 0.00 0.00 0.24 0.00 0.00 18 E 7.63 3.96 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 2.13 2.24 0.00 19 A 7.54 4.22 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 20 D 7.75 4.66 0.00 2.67 2.50 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 21 V 7.87 3.47 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 0.87 0.00 0.00 0.87 0.00 0.00 22 A 7.99 4.17 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 23 G 8.32 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.17 0.00 3.23 3.21 0.00 5.82 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 8.59 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 7.94 3.90 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 D 7.91 4.28 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.67 3.63 1.86 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 1.51 0.64 0.88 0.00 0.00 29 L 7.53 3.46 0.00 1.42 1.06 0.78 0.35 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 30 I 7.52 3.60 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.86 0.00 0.00 31 R 7.94 3.80 0.00 1.92 2.05 0.00 3.02 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 32 L 7.86 3.90 0.00 1.64 1.36 1.04 1.09 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 33 F 7.92 4.61 0.00 3.07 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 34 K 8.03 4.05 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 35 S 8.15 4.29 0.00 3.79 3.65 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 0.00 0.00 0.00 0.00 36 H 7.96 4.74 0.00 3.08 2.98 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.54 0.00 2.16 2.12 0.00 3.83 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 2.10 1.99 0.00 38 E 8.21 4.10 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 2.21 2.55 0.00 39 T 8.14 3.92 4.41 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 0.81 0.00 0.00 40 L 7.94 3.88 0.00 1.35 1.82 -0.07 0.84 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 41 E 7.82 4.14 0.00 2.25 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 2.37 2.53 0.00 42 K 7.90 4.43 0.00 1.95 1.75 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 2.01 7.81 43 F 8.36 4.71 0.00 3.17 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 44 D 8.56 4.43 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.79 4.02 0.00 1.55 1.83 0.00 2.76 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 46 F 7.73 5.08 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.74 4.15 0.00 2.10 1.90 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.76 7.81 48 H 8.08 4.50 0.00 3.27 3.41 0.00 5.52 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 7.53 4.27 0.00 1.63 1.56 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.69 4.32 0.00 1.67 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 51 T 7.56 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 1.20 0.00 0.00 52 E 8.56 3.91 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 2.35 0.00 53 A 7.94 3.96 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 54 E 8.01 3.95 0.00 2.10 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 2.34 0.00 55 M 7.98 4.15 0.00 2.05 2.27 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 2.67 2.56 0.00 56 K 8.10 3.95 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 57 A 7.61 4.25 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 58 S 7.58 4.28 0.00 3.94 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 59 E 8.92 4.01 0.00 2.05 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 2.41 2.33 0.00 60 D 8.15 4.42 0.00 2.85 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 61 L 8.16 3.54 0.00 1.35 1.64 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.83 0.00 1.78 2.04 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.37 3.93 0.00 2.10 1.96 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.71 4.50 0.00 3.67 3.64 0.00 5.84 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 8.39 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 66 V 7.89 3.62 2.26 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 1.04 0.00 0.00 1.01 0.00 0.00 67 T 7.70 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 68 V 7.80 3.61 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 1.16 0.00 0.00 0.95 0.00 0.00 69 L 7.99 4.26 0.00 1.79 1.82 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.12 4.02 4.52 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 1.26 0.00 0.00 71 A 8.08 4.04 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 72 L 8.30 3.74 0.00 1.73 1.78 0.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.35 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 0.00 74 A 7.78 4.03 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 75 I 7.37 3.82 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.93 0.00 0.00 76 L 7.75 3.93 0.00 1.18 1.50 -0.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 4.12 0.00 1.69 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.46 7.81 78 K 7.93 4.09 0.00 1.89 1.83 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 79 K 8.04 2.00 0.00 1.28 0.74 0.00 1.46 0.00 0.00 1.40 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.72 7.81 80 G 7.75 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 81 H 7.48 4.56 0.00 3.15 3.24 0.00 5.80 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 82 H 7.65 5.56 0.00 3.28 3.45 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.95 0.00 2.20 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 0.00 2.39 2.38 0.00 84 A 7.91 4.16 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 85 E 8.11 4.18 0.00 2.21 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 2.38 2.43 0.00 86 L 8.09 4.35 0.00 1.80 1.71 0.76 0.52 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 87 K 7.91 3.86 0.00 2.14 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 88 P 0.00 4.32 0.00 2.24 2.10 0.00 3.80 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 2.13 2.15 0.00 89 L 7.54 4.01 0.00 1.94 1.93 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.30 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.17 3.87 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 S 8.30 4.00 0.00 3.98 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 93 H 8.67 4.46 0.00 3.48 3.55 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 8.19 3.12 0.41 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 95 T 7.79 3.76 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 1.07 0.00 0.00 96 K 7.41 4.14 0.00 1.56 1.44 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.33 7.81 97 H 8.12 4.26 0.00 2.98 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.89 3.61 0.00 1.82 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.42 7.81 99 I 8.03 4.24 2.04 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 1.48 1.15 1.09 0.00 0.00 100 P 0.00 4.78 0.00 1.70 1.75 0.00 3.04 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.65 0.00 101 I 8.49 3.49 1.76 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.18 0.73 0.00 0.00 102 K 7.91 3.65 0.00 1.72 1.62 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 0.71 7.81 103 Y 7.85 4.00 0.00 3.15 3.01 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 0.00 104 L 7.82 4.18 0.00 1.81 1.76 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.87 4.00 0.00 1.96 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 2.47 2.43 0.00 106 F 7.76 4.46 0.00 3.24 2.78 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 0.00 107 I 8.16 3.75 2.00 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 1.58 1.65 1.07 0.00 0.00 108 S 8.19 4.21 0.00 4.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.53 4.08 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 110 A 8.29 4.01 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 0.00 111 I 8.15 3.70 2.09 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 1.58 1.01 1.04 0.00 0.00 112 I 7.74 3.84 2.00 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 1.68 1.05 1.11 0.00 0.00 113 H 8.47 4.05 0.00 3.40 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.94 3.65 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 0.92 0.00 0.00 0.93 0.00 0.00 115 L 8.18 3.91 0.00 0.92 0.46 0.73 0.89 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 0.00 116 H 7.91 4.50 0.00 3.47 3.56 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.96 4.19 0.00 4.00 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 R 7.66 4.28 0.00 1.65 1.66 0.00 3.14 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 119 H 7.84 4.91 0.00 3.19 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.78 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 4.23 0.00 2.20 2.25 0.00 3.66 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 2.07 1.96 0.00 121 G 8.01 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 0.00 122 D 7.76 4.94 0.00 2.86 2.78 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 0.00 123 F 8.16 4.98 0.00 3.00 3.03 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 0.00 124 G 7.59 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 0.00 0.00 0.00 125 A 8.46 3.87 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 0.00 126 D 7.94 4.19 0.00 2.86 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 7.71 3.99 1.20 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 0.00 0.00 128 Q 7.76 3.34 0.00 1.61 2.03 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 2.25 2.26 0.00 129 G 8.34 3.48 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 0.00 130 A 7.91 3.85 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 0.00 131 M 8.05 4.03 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 132 N 8.25 4.35 0.00 2.98 2.78 0.00 0.00 7.18 6.94 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 0.00 133 K 8.03 3.87 0.00 1.90 1.65 0.00 1.67 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.48 7.81 134 A 8.03 3.89 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 0.00 135 L 8.31 4.12 0.00 1.88 1.82 0.99 1.12 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 0.00 136 E 8.37 4.05 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 2.33 2.57 0.00 137 L 8.00 3.97 0.00 1.89 1.94 0.97 1.12 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 0.00 138 F 8.37 4.15 0.00 3.11 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 0.00 139 R 8.17 3.52 0.00 2.12 1.86 0.00 3.14 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 140 K 7.87 3.88 0.00 1.94 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.12 4.33 0.00 2.70 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 0.00 142 I 7.36 3.55 1.31 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 1.15 0.08 0.39 0.00 0.00 143 A 7.69 3.72 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 7.70 3.96 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 0.00 145 K 7.83 4.06 0.00 2.10 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.61 4.13 0.00 3.09 3.12 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 0.00 147 K 8.36 3.92 0.00 1.86 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.91 3.96 0.00 2.16 2.21 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 2.35 2.38 0.00 149 L 7.76 4.32 0.00 2.05 1.95 0.85 1.07 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 0.00 150 G 7.77 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.68 4.15 0.00 2.67 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 0.00 152 Q 7.71 3.28 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.08 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 153 G 8.56 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 0.00 0.00 0.00 0.00