NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8172 8.0549 120.2792 61.3373 32.5865 174.5811 2 Q 4.1579 7.9978 122.7467 53.1229 31.9699 173.0788 3 W 4.9630 8.3560 122.9668 55.3151 31.3635 176.2628 4 S 4.5147 12.0000 117.3440 57.4390 63.4340 175.1928 5 A 4.0464 8.4568 122.1988 55.2132 17.9473 179.5542 6 E 4.0825 8.1525 116.1383 59.2498 29.6483 178.3248 7 E 4.1449 7.9745 120.0609 58.3864 29.4816 178.7124 8 K 3.4890 8.1374 117.6510 60.1698 32.4530 179.1640 9 Q 3.8270 7.6941 118.6768 59.3491 29.0207 179.0152 10 L 3.9341 7.6269 121.2783 58.1819 41.9385 178.7534 11 I 4.2090 7.8248 119.6640 64.7412 36.9849 178.7686 12 S 4.2571 8.4279 115.2412 61.1144 62.7150 176.5031 13 G 3.7259 8.3196 109.1518 47.6657 0.0000 174.9923 14 L 4.0100 8.6902 123.3596 57.2539 42.0932 178.5083 15 W 4.6188 9.7431 129.5028 60.4050 30.2599 178.1328 16 G 3.7033 7.9345 105.2227 47.0761 0.0000 174.3845 17 K 4.5399 7.6359 118.3323 55.9916 32.6113 176.8206 18 V 3.7686 7.0356 118.7881 62.4561 32.0756 175.8151 19 N 4.5241 7.9634 125.1079 51.6379 38.0838 175.3558 20 V 3.5128 7.9608 124.0597 65.5127 32.3764 178.1785 21 A 3.9787 8.0518 121.0416 55.5770 18.1802 178.8090 22 D 4.2547 7.9660 116.9640 57.7031 40.6132 178.5402 23 C 4.1369 9.1290 118.5896 62.4333 27.6023 176.8810 24 G 3.4310 8.0650 107.5141 47.8376 0.0000 175.8445 25 A 4.1433 8.2368 123.9130 53.8909 18.1269 179.6568 26 E 3.8494 8.0097 117.2281 59.9140 29.4943 178.3838 27 A 3.9553 7.3440 118.6741 55.5204 18.5674 178.8964 28 L 3.9205 7.9959 115.7995 58.4801 42.1309 179.1375 29 A 3.9733 8.1968 119.9933 55.5970 18.4167 179.8230 30 R 3.9316 9.5908 115.4525 58.2692 30.0027 178.8505 31 L 4.1366 8.1550 121.3033 57.8930 42.2335 178.4150 32 L 4.2540 8.0010 117.0709 57.4184 41.5178 178.9517 33 I 4.0375 7.0873 118.6728 63.5267 37.8804 177.9202 34 V 3.7330 7.3983 117.2184 63.9057 31.7701 175.2549 35 Y 3.8857 7.9484 115.6119 54.3310 39.6202 173.9230 36 P 4.1957 0.0000 0.0000 64.8720 31.5333 178.4815 37 W 4.3553 7.9603 115.4732 59.5051 27.7899 177.6150 38 T 4.4912 6.7291 108.2242 63.2727 68.6985 175.7126 39 Q 4.4706 8.0740 120.9204 57.7709 28.7358 177.6835 40 R 3.8394 7.6951 119.7352 59.0120 30.1123 177.6480 41 F 4.3926 7.6658 115.1078 58.2792 39.2867 175.8359 42 F 4.5498 7.7082 117.4051 56.8743 39.5899 177.4209 43 A 4.0333 8.0930 127.2717 55.2067 18.2677 180.4286 44 S 4.4650 7.9009 108.3230 60.0811 63.3707 175.0358 45 F 4.8821 8.2555 119.9536 58.7226 40.3050 175.2797 46 G 4.0213 7.8363 105.9995 44.1821 0.0000 176.6159 47 N 4.7362 8.9907 127.9720 52.2714 38.4625 173.8065 48 L 4.9260 8.2309 128.7155 54.5130 43.0477 178.5079 49 S 4.3802 8.3335 115.4373 60.0218 63.7205 174.8835 50 S 4.8479 7.5643 113.5413 55.0614 67.2838 172.5808 51 P 4.3647 0.0000 0.0000 66.3989 30.9166 179.0671 52 T 3.8642 7.8927 112.2171 66.6117 68.5621 176.0270 53 A 4.1342 7.8717 122.4305 54.9673 18.2943 179.8365 54 I 3.6534 7.5693 118.0874 64.5228 37.1344 178.3856 55 L 4.2639 7.9351 116.0233 56.2283 41.4934 177.6445 56 G 3.7697 7.7740 107.8700 46.4837 0.0000 172.7756 57 N 4.1319 8.3617 120.4365 52.9120 39.5165 173.1323 58 P 4.1551 0.0000 0.0000 66.5078 31.2264 177.5446 59 M 3.5758 7.9904 117.8663 58.0057 31.6876 178.5353 60 V 3.2628 7.0334 117.1461 66.3030 31.5407 178.2416 61 R 3.8329 7.5144 115.7199 59.1585 30.3026 178.7773 62 A 4.0751 8.4515 120.7143 55.2967 18.0867 178.8937 63 H 4.1487 8.7384 117.2993 59.6679 29.8214 177.2551 64 G 4.1017 8.6555 108.9458 47.2522 0.0000 175.1469 65 K 4.1198 7.9874 120.3422 58.3650 32.2202 178.7078 66 K 4.2974 9.1644 119.5464 58.9188 31.7222 179.1391 67 V 3.6656 7.5028 118.9117 65.7466 31.6461 177.4385 68 L 4.7999 8.0728 118.5795 57.3318 42.3486 178.4807 69 T 4.3423 7.7245 116.3019 66.7489 68.2406 176.5966 70 S 4.9285 8.1159 116.4442 61.0452 62.3686 176.3056 71 F 4.4105 8.1789 119.9070 60.3252 38.6174 177.8865 72 G 2.5740 8.1013 105.1741 47.0359 0.0000 175.5790 73 D 4.1974 7.7966 120.7781 57.0972 40.9043 178.4267 74 A 3.9097 7.5311 121.1054 55.2681 18.2034 179.4052 75 V 3.0676 7.0135 114.9247 66.3028 31.5416 178.3310 76 K 4.2672 8.0526 116.4376 57.6498 32.1826 177.0764 77 N 4.6595 7.6795 117.4297 52.1936 39.5662 173.8680 78 L 3.8863 8.1009 125.3867 55.6173 42.6568 176.7458 79 D 4.9998 7.9686 115.7971 54.6928 41.5265 175.7391 80 N 5.0765 7.4136 118.7494 52.6447 39.8053 176.3565 81 I 3.9385 8.4378 118.1660 62.1670 36.8025 178.7458 82 K 4.7154 7.6272 124.8751 58.8598 34.9793 175.2316 83 N 4.6345 7.6615 115.1036 55.5901 38.7486 177.4200 84 T 3.9489 8.9687 116.8038 65.1178 68.8580 175.5843 85 F 4.6295 7.8150 117.6178 56.7780 39.6856 176.7630 86 A 4.0401 7.6003 121.4745 55.3032 18.5287 179.7374 87 Q 4.0856 7.9756 115.8998 59.2026 28.7504 178.7017 88 L 4.2384 7.8309 118.0198 56.5438 41.6583 178.5569 89 S 4.3558 7.9427 113.4122 60.0451 62.4011 175.8145 90 E 3.9257 8.1360 121.6594 59.3486 29.2409 178.2832 91 L 3.9619 8.0235 119.7066 59.1647 41.7173 178.7611 92 H 4.2623 8.2272 114.7587 57.8127 28.3925 177.0162 93 C 4.5649 7.3215 118.2845 60.5445 29.1554 174.3033 94 D 4.5080 8.5779 118.4700 54.9174 41.7466 177.4970 95 K 4.2019 7.9036 118.2964 57.1228 33.0606 176.7530 96 L 4.3903 7.9768 117.3631 54.5184 42.8895 177.0198 97 H 4.3544 8.3541 112.6517 56.2884 25.7418 174.8689 98 V 3.7630 7.3325 118.8979 62.5286 32.0575 175.1046 99 D 4.3323 8.6022 125.9182 53.0642 41.7007 174.8073 100 P 2.9700 0.0000 0.0000 65.6721 31.0733 178.3616 101 E 3.4992 7.4685 117.8011 58.3538 29.6201 177.8711 102 N 4.4172 7.8833 115.2506 54.4348 39.2860 176.7620 103 F 4.6209 8.4607 120.1753 59.8517 38.9602 177.7354 104 R 3.9966 7.8726 118.5275 59.3145 29.9737 178.1986 105 L 4.0025 7.3953 118.4969 57.8520 41.6202 179.2754 106 L 4.0891 7.8772 119.8746 58.1164 41.9306 179.3668 107 G 3.6938 8.1077 105.7495 47.9198 0.0000 175.4763 108 D 4.4850 8.3539 121.5958 57.1227 40.8186 179.0524 109 I 3.7532 8.5986 120.8687 64.3976 37.2940 178.1066 110 L 3.9741 8.4266 121.4436 58.4218 41.8051 179.1805 111 I 3.8378 8.1034 119.7848 64.3257 37.1352 178.4788 112 I 3.7495 7.8512 120.7972 64.1251 36.8329 178.5854 113 V 3.6348 7.7018 119.3096 65.4969 31.3065 178.2168 114 L 3.8709 7.6415 118.5416 57.3471 41.3224 178.8875 115 A 3.2008 7.1266 120.4359 55.0946 18.0787 179.6353 116 A 3.9247 7.5436 116.9584 54.8539 18.4184 178.8234 117 H 4.2524 7.2719 113.3282 57.1531 29.3592 176.6466 118 F 4.4686 8.4400 117.7959 56.1579 39.6941 177.6157 119 T 3.5745 8.1948 110.2499 61.6821 71.3626 174.4548 120 K 3.8813 9.1319 118.3441 59.4891 31.7415 177.2495 121 E 3.9702 7.8397 118.0386 59.0252 30.0799 177.1633 122 F 4.4745 7.9675 122.6431 56.8516 38.3782 175.6463 123 T 4.0315 7.4729 113.8864 61.6786 70.7934 172.7121 124 P 4.2286 0.0000 0.0000 66.1089 31.2240 178.8495 125 E 3.9130 8.0434 116.7301 59.5210 29.4814 178.4982 126 C 3.8947 7.7247 118.3662 62.5496 31.3808 175.5648 127 Q 3.6496 7.7771 120.7266 59.0800 28.7961 178.0875 128 A 4.0947 8.2788 121.7410 54.9994 16.8952 179.4941 129 A 4.0837 8.3714 119.7023 54.7457 18.4489 179.4422 130 W 4.3172 8.3125 116.8791 58.4576 29.4296 178.8812 131 Q 4.0554 8.6554 120.5100 59.1928 28.6184 177.9027 132 K 3.8777 8.0263 119.9725 59.1144 32.0259 178.3668 133 L 4.1181 7.3614 120.4494 58.3036 42.1670 179.1444 134 V 4.1869 7.7987 111.6755 63.8981 31.3975 178.7162 135 R 3.9298 8.3397 119.1805 59.5234 29.9673 179.0121 136 V 3.5732 7.7505 111.7380 64.3884 31.4173 178.4802 137 V 3.2475 8.0175 116.9489 66.2358 31.5926 177.6390 138 A 4.0313 8.0840 120.0793 55.2600 18.0800 179.1026 139 H 4.0571 8.1843 116.6178 59.2844 29.8430 176.7863 140 A 4.3465 7.9720 119.2139 53.1236 18.3457 178.1014 141 L 4.1409 7.6435 118.4198 55.6898 42.6091 177.2562 142 A 4.9418 7.4578 120.0294 52.0010 19.2207 178.3106 143 R 3.9429 8.1435 122.4487 60.6373 30.2110 178.4638 144 K 4.3916 7.9963 113.7316 57.0523 32.5509 177.1608 145 Y 4.0337 8.3098 117.8960 59.9137 38.2733 175.5092 146 H 4.5666 7.8050 120.6541 55.8817 29.5275 173.1452 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 3.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.16 0.00 0.00 2 Q 8.00 4.16 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 3 W 8.36 4.96 0.00 3.24 3.05 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 0.00 0.00 0.00 4 S 12.00 4.51 0.00 4.17 4.04 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 5 A 8.46 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 6 E 8.15 4.08 0.00 2.09 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 2.47 0.00 7 E 7.97 4.14 0.00 2.36 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 0.00 2.44 2.43 0.00 8 K 8.14 3.49 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.10 1.36 7.81 9 Q 7.69 3.83 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 10 L 7.63 3.93 0.00 2.08 1.65 0.91 1.18 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 11 I 7.82 4.21 1.46 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 -0.19 0.00 0.00 12 S 8.43 4.26 0.00 4.10 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 13 G 8.32 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 14 L 8.69 4.01 0.00 1.74 1.88 -0.36 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.74 4.62 0.00 3.75 3.27 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 16 G 7.93 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 17 K 7.64 4.54 0.00 2.12 1.92 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 18 V 7.04 3.77 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 0.43 0.00 0.00 0.91 0.00 0.00 19 N 7.96 4.52 0.00 2.59 2.47 0.00 0.00 6.77 7.71 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 20 V 7.96 3.51 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 1.02 0.00 0.00 0.67 0.00 0.00 21 A 8.05 3.98 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 22 D 7.97 4.25 0.00 2.71 2.62 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 23 C 9.13 4.14 0.00 2.82 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 24 G 8.07 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 25 A 8.24 4.14 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 26 E 8.01 3.85 0.00 2.11 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 2.30 2.30 0.00 27 A 7.34 3.96 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 28 L 8.00 3.92 0.00 1.93 1.70 1.00 1.30 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 29 A 8.20 3.97 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 30 R 9.59 3.93 0.00 2.06 1.97 0.00 3.11 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 31 L 8.15 4.14 0.00 1.95 1.92 1.23 0.67 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 32 L 8.00 4.25 0.00 1.64 1.92 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.09 4.04 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.84 0.00 0.00 34 V 7.40 3.73 1.50 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 -0.20 0.00 0.00 0.80 0.00 0.00 35 Y 7.95 3.89 0.00 2.34 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.20 0.00 2.21 2.08 0.00 3.40 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 2.13 2.05 0.00 37 W 7.96 4.36 0.00 3.58 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 38 T 6.73 4.49 4.49 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 0.95 0.00 0.00 39 Q 8.07 4.47 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 40 R 7.70 3.84 0.00 1.67 1.58 0.00 3.13 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.48 0.00 41 F 7.67 4.39 0.00 2.33 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 42 F 7.71 4.55 0.00 3.08 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 43 A 8.09 4.03 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 44 S 7.90 4.46 0.00 4.09 4.04 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 45 F 8.26 4.88 0.00 3.29 3.30 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 46 G 7.84 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.99 4.74 0.00 2.71 2.78 0.00 0.00 6.63 7.78 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 48 L 8.23 4.93 0.00 1.67 1.65 1.14 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.33 4.38 0.00 4.03 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 50 S 7.56 4.85 0.00 3.99 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 51 P 0.00 4.36 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 52 T 7.89 3.86 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 53 A 7.87 4.13 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 54 I 7.57 3.65 1.93 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 1.53 0.96 0.90 0.00 0.00 55 L 7.94 4.26 0.00 1.58 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.77 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.36 4.13 0.00 2.77 2.75 0.00 0.00 6.94 7.32 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 58 P 0.00 4.16 0.00 2.22 2.25 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 59 M 7.99 3.58 0.00 0.98 1.45 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 60 V 7.03 3.26 2.18 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 0.98 0.00 0.00 0.93 0.00 0.00 61 R 7.51 3.83 0.00 1.90 1.93 0.00 3.18 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 1.62 1.75 0.00 62 A 8.45 4.08 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 63 H 8.74 4.15 0.00 3.25 3.55 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 64 G 8.66 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.99 4.12 0.00 1.87 2.05 0.00 1.62 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 1.47 1.49 7.81 66 K 9.16 4.30 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.65 7.81 67 V 7.50 3.67 2.38 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 1.24 0.00 0.00 1.06 0.00 0.00 68 L 8.07 4.80 0.00 2.03 1.85 1.23 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.72 4.34 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 70 S 8.12 4.93 0.00 4.00 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 71 F 8.18 4.41 0.00 3.46 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 72 G 8.10 2.57 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 0.00 73 D 7.80 4.20 0.00 2.73 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 0.00 0.00 0.00 0.00 74 A 7.53 3.91 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 75 V 7.01 3.07 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 0.34 0.00 0.00 0.37 0.00 0.00 76 K 8.05 4.27 0.00 1.61 1.81 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 77 N 7.68 4.66 0.00 2.62 2.56 0.00 0.00 6.63 6.07 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 78 L 8.10 3.89 0.00 1.18 1.26 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.97 5.00 0.00 2.74 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 80 N 7.41 5.08 0.00 2.67 2.69 0.00 0.00 7.14 7.70 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 81 I 8.44 3.94 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 1.05 0.00 0.00 82 K 7.63 4.72 0.00 1.83 1.93 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.62 7.81 83 N 7.66 4.63 0.00 2.80 2.83 0.00 0.00 7.02 6.93 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 84 T 8.97 3.95 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 0.71 0.00 0.00 85 F 7.82 4.63 0.00 2.97 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 86 A 7.60 4.04 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 87 Q 7.98 4.09 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 88 L 7.83 4.24 0.00 1.72 1.80 0.88 1.10 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 89 S 7.94 4.36 0.00 4.25 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 90 E 8.14 3.93 0.00 2.08 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 2.33 2.62 0.00 91 L 8.02 3.96 0.00 1.73 1.84 0.87 0.97 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 92 H 8.23 4.26 0.00 3.26 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.32 4.56 0.00 3.24 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 94 D 8.58 4.51 0.00 2.55 2.62 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 95 K 7.90 4.20 0.00 1.67 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 96 L 7.98 4.39 0.00 1.64 1.57 0.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.35 4.35 0.00 3.48 3.56 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.33 3.76 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 0.47 0.00 0.00 -0.39 0.00 0.00 99 D 8.60 4.33 0.00 2.74 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 0.00 100 P 0.00 2.97 0.00 1.85 1.77 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 101 E 7.47 3.50 0.00 1.94 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 2.19 2.27 0.00 102 N 7.88 4.42 0.00 2.60 2.91 0.00 0.00 6.86 8.12 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 0.00 103 F 8.46 4.62 0.00 2.84 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 0.00 104 R 7.87 4.00 0.00 1.84 2.09 0.00 3.50 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 105 L 7.40 4.00 0.00 1.45 1.37 0.46 0.39 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 0.00 106 L 7.88 4.09 0.00 1.96 1.88 1.11 1.32 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 0.00 107 G 8.11 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 0.00 108 D 8.35 4.48 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.60 3.75 2.18 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.98 1.04 0.00 0.00 110 L 8.43 3.97 0.00 1.79 1.84 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.10 3.84 2.12 0.00 0.00 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 1.93 0.98 1.16 0.00 0.00 112 I 7.85 3.75 2.00 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 1.44 1.37 0.89 0.00 0.00 113 V 7.70 3.63 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 1.03 0.00 0.00 1.06 0.00 0.00 114 L 7.64 3.87 0.00 1.33 1.18 0.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.13 3.20 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.54 3.92 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 0.00 117 H 7.27 4.25 0.00 3.28 2.81 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.44 4.47 0.00 2.96 3.10 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 0.00 119 T 8.19 3.57 4.25 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 1.17 0.00 0.00 120 K 9.13 3.88 0.00 1.81 1.98 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.47 7.81 121 E 7.84 3.97 0.00 2.09 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 2.39 2.35 0.00 122 F 7.97 4.47 0.00 3.08 3.05 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 0.00 0.00 0.00 123 T 7.47 4.03 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 1.26 0.00 0.00 124 P 0.00 4.23 0.00 2.17 2.18 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 125 E 8.04 3.91 0.00 2.02 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 2.39 2.42 0.00 126 C 7.72 3.89 0.00 2.78 2.62 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 0.00 127 Q 7.78 3.65 0.00 2.05 2.27 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 2.45 2.60 0.00 128 A 8.28 4.09 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 0.00 129 A 8.37 4.08 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 0.00 130 W 8.31 4.32 0.00 3.59 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 0.00 131 Q 8.66 4.06 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 132 K 8.03 3.88 0.00 1.94 2.13 0.00 1.64 0.00 0.00 1.98 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.83 1.39 7.81 133 L 7.36 4.12 0.00 1.52 1.63 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.80 4.19 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 0.99 0.00 0.00 1.11 0.00 0.00 135 R 8.34 3.93 0.00 2.06 2.13 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 136 V 7.75 3.57 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 0.73 0.00 0.00 1.21 0.00 0.00 137 V 8.02 3.25 2.41 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 0.01 0.00 0.00 1.13 0.00 0.00 138 A 8.08 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.18 4.06 0.00 3.38 3.41 0.00 5.59 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 0.00 140 A 7.97 4.35 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 0.00 141 L 7.64 4.14 0.00 1.41 1.61 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.46 4.94 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 0.00 143 R 8.14 3.94 0.00 1.94 2.07 0.00 3.19 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 144 K 8.00 4.39 0.00 1.89 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 145 Y 8.31 4.03 0.00 3.10 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 0.00 146 H 7.80 4.57 0.00 3.14 3.16 0.00 5.69 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