NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9937 8.3549 109.7371 45.5665 0.0000 173.6797 2 L 4.5487 8.2746 124.0154 50.4019 44.8072 175.1497 3 S 4.5263 8.5357 117.1785 57.7817 66.2264 174.7713 4 D 4.5940 8.6830 121.0809 57.3995 40.9570 178.2875 5 G 3.6647 8.1130 105.8394 47.9437 0.0000 175.3582 6 E 3.9351 8.0024 120.7594 58.8912 29.3790 179.4659 7 W 4.3861 8.3330 119.1965 59.7850 29.1099 178.2713 8 Q 4.0542 8.5578 119.7545 59.3468 28.5222 178.4394 9 Q 4.0496 8.0647 119.0110 59.0154 28.7756 178.9302 10 V 3.7303 7.9614 119.2161 66.2382 31.3843 178.0933 11 L 4.2420 8.2271 117.4678 57.2540 41.8077 178.7804 12 N 4.4903 8.2610 117.5064 56.7752 39.0100 177.0447 13 V 3.6125 7.9846 119.6753 65.8351 31.5727 177.7591 14 W 4.2336 8.5789 128.1492 60.1120 30.2246 178.1021 15 G 3.6238 7.7202 104.8839 47.6399 0.0000 175.4950 16 K 3.9928 7.7400 120.6658 59.1730 32.0165 179.6648 17 V 2.8632 6.9444 117.9134 65.7111 31.1886 177.7985 18 E 3.8131 7.5260 116.6707 58.9169 29.2418 178.8848 19 A 4.1830 7.2013 118.9226 54.0533 19.8913 177.6312 20 D 4.6940 7.8450 116.7228 52.1530 42.6063 175.4257 21 I 3.6417 7.8099 117.8768 63.6762 38.2058 178.2220 22 A 4.1721 7.9775 122.3978 54.5615 18.3040 179.7384 23 G 3.7508 8.2801 105.6950 47.7607 0.0000 175.8216 24 H 4.1837 8.4065 119.0593 58.2966 28.8438 178.0329 25 G 3.6191 8.5129 107.9212 47.8745 0.0000 175.4293 26 Q 3.8557 8.0374 122.2608 58.9567 29.1424 178.2615 27 E 3.9225 7.9344 119.0651 59.0936 29.3270 179.4008 28 V 3.5096 7.7022 118.4086 66.1333 31.5601 178.0436 29 L 3.4160 7.5780 118.1560 57.5757 41.3836 179.7196 30 I 3.5973 7.5825 119.6380 64.2942 37.0623 178.3757 31 R 3.8049 7.8829 119.4721 59.1933 29.8616 178.2012 32 L 3.8925 7.8339 120.0692 58.4375 41.6682 179.1265 33 F 4.5625 8.0776 118.0882 60.5329 38.5488 177.7102 34 T 4.1613 7.9407 109.0077 64.3743 69.0507 177.0120 35 G 3.7071 7.9488 107.3971 46.2448 0.0000 173.8631 36 H 4.7910 8.0104 117.8856 52.2017 30.4846 171.7873 37 P 4.4631 0.0000 0.0000 64.5780 31.1775 177.4993 38 E 4.0976 8.2613 116.2310 59.4846 29.5454 179.1597 39 T 3.6499 8.1490 111.0769 64.3966 68.7197 176.3017 40 L 3.6477 7.9541 123.1153 57.8797 41.8242 178.6107 41 E 4.0742 7.7841 117.3073 58.7639 29.4357 178.7643 42 K 4.3848 7.9873 116.8508 56.5908 32.3521 176.5392 43 F 4.6598 8.0681 119.2585 55.4534 39.6832 176.2122 44 D 4.3434 8.6087 127.0014 57.0105 41.0413 178.9073 45 K 3.5437 7.9578 119.2479 58.5964 32.3284 176.9962 46 F 5.0981 7.6311 114.6609 56.6875 39.9961 176.9666 47 K 4.0549 7.6655 121.3192 59.6017 32.4489 178.1766 48 H 4.2507 8.1954 114.5619 57.9122 28.7271 175.3804 49 L 3.9565 7.3105 120.5698 54.6965 41.0618 176.3805 50 K 4.2272 8.6198 123.6887 58.5767 33.3387 178.0180 51 T 4.2584 8.5107 110.2388 61.1537 71.1713 175.2940 52 E 3.9400 8.6582 122.4826 59.2496 29.7347 179.0805 53 A 3.9655 7.8923 120.5964 55.1871 18.3238 179.2723 54 E 3.9433 8.1484 116.0982 59.6287 29.7840 179.2575 55 M 4.1464 7.9491 118.7149 58.4479 31.8714 178.8176 56 K 3.8701 8.2778 117.1551 59.3968 32.3617 178.5779 57 A 4.3753 7.8924 118.1196 51.9601 18.7966 177.1298 58 S 4.3656 7.5432 113.9754 57.4176 62.7682 174.7346 59 E 4.0796 8.7626 128.1872 59.0132 29.3315 178.6061 60 D 4.4449 8.0905 118.2230 57.1197 41.3868 177.7985 61 L 3.3864 7.9146 121.0439 57.6826 42.0149 178.7955 62 K 3.8552 7.7759 119.7777 59.2006 32.1236 178.5064 63 K 3.8816 8.0520 119.9397 60.0275 32.0954 178.2323 64 H 4.3957 8.4377 118.4951 59.1221 29.7159 177.2415 65 G 3.6782 8.2675 107.6795 48.1454 0.0000 175.6996 66 T 3.8522 7.9163 118.0397 66.3022 68.5802 176.6416 67 V 3.5956 7.7598 120.0567 66.1160 31.5353 178.0994 68 V 3.5996 8.0396 117.9739 66.2800 31.3780 178.1086 69 L 4.2803 8.2520 118.6034 57.8096 41.3984 179.6889 70 T 3.9700 8.3083 116.0755 66.5108 68.5152 176.5066 71 A 3.9756 7.9982 122.5253 55.0133 18.3665 179.3845 72 L 3.7326 8.0806 118.9959 58.1229 42.1219 179.3011 73 G 3.1208 8.3797 105.9920 47.6377 0.0000 175.6316 74 G 3.6723 7.6937 107.0801 47.5660 0.0000 175.5551 75 I 3.8547 7.4184 121.6041 64.1607 37.2146 178.4169 76 L 3.9014 7.7595 120.0588 57.7976 41.1501 179.7871 77 K 3.9038 7.7379 117.1321 58.6604 32.3501 178.6594 78 K 3.9714 7.9163 117.6661 55.7062 32.8482 176.4323 79 K 2.0000 8.2570 118.3881 56.5014 29.8503 173.9421 80 G 4.1271 7.8736 106.8767 46.1740 0.0000 173.8105 81 H 4.6819 7.5795 116.4874 54.9101 27.6638 175.1691 82 H 5.5870 7.3212 110.7273 54.7557 29.3159 176.4157 83 E 3.9557 8.5831 121.3068 60.1969 28.9794 178.6816 84 A 4.0306 8.0325 118.4136 55.5887 17.2226 179.0426 85 E 4.1268 8.0781 116.1623 59.0868 29.8008 179.0627 86 L 4.0491 8.3128 120.8350 57.8250 42.1338 178.4533 87 K 3.8218 8.1463 120.0906 59.2919 32.0310 176.6503 88 P 4.2238 0.0000 0.0000 65.7822 31.0837 177.9535 89 L 3.9693 7.4763 117.6935 57.8459 42.0503 178.8250 90 A 4.0408 8.0918 120.6126 55.3887 18.3402 179.5929 91 Q 3.9368 8.3442 116.7446 59.3176 28.6943 178.8794 92 D 4.2810 8.1941 119.8054 57.4023 40.8773 178.5699 93 H 4.1073 8.4351 116.5716 58.1460 28.0814 177.6524 94 A 2.5892 7.7942 122.7419 54.7621 18.3426 179.7770 95 T 3.6639 7.3553 112.6460 66.1953 68.6848 176.3006 96 K 4.0111 7.5018 120.2771 59.1713 32.7091 177.4715 97 H 4.2801 8.0651 115.5685 56.3236 29.4997 175.6501 98 K 3.5136 7.4419 116.6876 56.1921 28.8355 176.0065 99 I 4.4085 7.9358 118.8724 58.9419 38.3612 175.1196 100 P 4.5516 0.0000 0.0000 62.3596 32.0485 177.8907 101 I 3.7062 8.5455 121.8564 64.2470 36.9328 178.6412 102 K 3.7047 7.8440 120.2739 59.5637 31.9605 178.2331 103 Y 4.3486 7.9142 117.0344 60.8518 37.7602 178.2143 104 L 4.2055 7.8504 119.6526 57.2994 41.7607 178.9443 105 E 3.9221 7.8411 119.1713 59.2281 29.6290 178.6037 106 F 4.5312 7.9858 117.8455 61.0036 39.0548 177.6294 107 I 3.8155 8.1743 117.9854 64.0249 37.6126 177.9437 108 S 4.2295 8.2162 116.1962 61.9111 62.7262 176.5057 109 D 4.4478 8.4223 121.1591 57.2679 40.4778 178.6192 110 A 4.0406 8.2035 121.3315 55.1708 18.2943 179.6000 111 I 3.6527 7.9321 118.1760 64.7153 37.2836 178.5718 112 I 3.8029 7.5776 120.4856 64.7267 37.0146 177.7863 113 H 4.1015 8.4236 118.9410 59.5294 29.6216 177.3625 114 V 3.6155 8.1118 120.0187 65.9948 31.3069 177.9388 115 L 3.8532 8.1022 118.9022 58.0916 41.0969 179.2740 116 H 4.4418 8.0419 115.2738 58.7696 28.7258 177.4845 117 S 4.1952 8.0257 114.3153 61.0978 62.3436 175.8003 118 K 4.1452 8.0361 119.3458 57.2848 33.4341 176.5606 119 H 4.9209 8.0316 116.1341 53.7174 29.2286 172.2681 120 P 4.5114 0.0000 0.0000 64.8389 31.5658 177.2956 121 G 3.9848 9.2365 112.7717 45.0573 0.0000 172.5809 122 D 4.7404 7.9312 117.0220 53.9346 42.1759 175.9836 123 F 4.8813 7.9571 120.3347 56.2778 39.3141 174.9913 124 G 3.8412 8.0759 113.9226 43.1827 0.0000 170.9189 125 A 3.8855 8.3278 121.1394 55.1946 18.3127 179.5644 126 D 4.2506 7.9698 116.9746 56.3655 39.5746 178.4999 127 A 3.9755 7.7690 121.7158 54.9585 18.4879 179.1162 128 Q 3.5849 7.7642 118.4098 58.9818 28.9865 178.7382 129 G 3.5390 7.8146 106.0198 47.7909 0.0000 175.4795 130 A 3.8649 7.9341 123.8207 54.9106 18.4287 179.4083 131 M 4.0092 8.2904 116.8071 58.9556 32.2860 178.4968 132 T 3.8917 8.1366 116.0255 66.6601 68.6657 176.4606 133 K 4.0286 8.0281 121.2014 59.4502 32.1641 178.6531 134 A 3.8381 8.1204 121.2472 55.1280 18.3101 179.6656 135 L 4.1053 8.1734 117.5097 57.6874 41.6023 179.6318 136 E 3.9953 8.3245 118.9101 59.2750 29.4399 178.8635 137 L 3.9852 8.1013 120.4752 58.1765 42.1214 178.7682 138 F 4.1933 8.2982 120.3598 61.5390 39.2999 177.3443 139 R 3.6260 8.1671 117.6048 59.1287 29.8577 178.5813 140 N 4.2398 8.5322 117.2926 56.8369 38.6012 176.7369 141 D 4.3763 8.1140 120.3067 57.1268 40.8678 178.8815 142 I 3.5009 7.2936 119.8331 64.1288 37.0369 178.1414 143 A 3.8164 8.0498 121.7629 55.0499 18.2590 179.4650 144 A 3.9474 7.9712 119.1104 55.4640 18.6228 180.1281 145 K 4.0661 7.7597 115.5741 59.5896 32.0944 179.3403 146 Y 4.2904 8.3026 117.3768 60.8377 37.7671 178.2973 147 K 3.9726 8.3337 120.5921 59.7058 32.1286 178.5890 148 E 4.0010 7.8562 116.9729 59.4230 29.5208 178.8462 149 L 4.3019 7.8531 116.0796 54.6403 41.8971 177.4995 150 G 3.8319 7.7198 106.7985 46.2262 0.0000 173.2601 151 F 4.4349 8.1861 122.4939 57.2867 39.6599 174.7536 152 Q 3.9601 8.0256 126.8108 58.2321 29.7567 175.9775 153 G 3.5052 7.1845 109.1762 45.4932 0.0000 173.2180 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.99 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 0.00 0.00 0.00 2 L 8.27 4.55 0.00 0.58 0.59 0.50 -0.52 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 3 S 8.54 4.53 0.00 4.09 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 D 8.68 4.59 0.00 2.90 2.77 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 5 G 8.11 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.00 3.94 0.00 2.08 1.71 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 2.21 2.27 0.00 7 W 8.33 4.39 0.00 3.49 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 8.56 4.05 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.06 4.05 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 10 V 7.96 3.73 2.46 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 1.20 0.00 0.00 0.87 0.00 0.00 11 L 8.23 4.24 0.00 1.75 1.80 0.91 1.18 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 12 N 8.26 4.49 0.00 2.98 3.03 0.00 0.00 6.68 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.98 3.61 2.35 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 0.88 0.00 0.00 1.21 0.00 0.00 14 W 8.58 4.23 0.00 3.61 3.23 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 15 G 7.72 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 16 K 7.74 3.99 0.00 1.64 1.54 0.00 1.25 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 17 V 6.94 2.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.29 0.00 0.00 18 E 7.53 3.81 0.00 1.96 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 2.22 2.09 0.00 19 A 7.20 4.18 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 20 D 7.85 4.69 0.00 2.71 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 21 I 7.81 3.64 1.80 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 1.54 0.63 0.84 0.00 0.00 22 A 7.98 4.17 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 23 G 8.28 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 24 H 8.41 4.18 0.00 3.08 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.51 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 26 Q 8.04 3.86 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 27 E 7.93 3.92 0.00 1.95 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 2.24 2.37 0.00 28 V 7.70 3.51 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 1.08 0.00 0.00 0.98 0.00 0.00 29 L 7.58 3.42 0.00 1.42 0.96 0.80 0.45 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 30 I 7.58 3.60 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.13 0.87 0.00 0.00 31 R 7.88 3.80 0.00 1.86 2.10 0.00 3.03 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.83 3.89 0.00 1.69 1.42 1.05 0.94 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 8.08 4.56 0.00 3.00 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 34 T 7.94 4.16 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 G 7.95 3.71 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 0.00 0.00 0.00 36 H 8.01 4.79 0.00 3.04 3.21 0.00 5.64 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 4.46 0.00 2.16 2.11 0.00 3.85 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 2.10 2.00 0.00 38 E 8.26 4.10 0.00 2.28 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 2.35 2.58 0.00 39 T 8.15 3.65 4.33 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 0.70 0.00 0.00 40 L 7.95 3.65 0.00 1.51 1.79 -0.09 0.73 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 7.78 4.07 0.00 2.26 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 2.54 0.00 42 K 7.99 4.38 0.00 1.86 1.72 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 1.94 7.81 43 F 8.07 4.66 0.00 3.06 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 44 D 8.61 4.34 0.00 2.66 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 45 K 7.96 3.54 0.00 1.37 1.04 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 1.06 7.81 46 F 7.63 5.10 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.67 4.05 0.00 1.86 1.96 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.44 7.81 48 H 8.20 4.25 0.00 3.31 3.50 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.31 3.96 0.00 1.64 1.57 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.62 4.23 0.00 1.70 1.81 0.00 1.99 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.46 7.81 51 T 8.51 4.26 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 1.23 0.00 0.00 52 E 8.66 3.94 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 7.89 3.97 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 8.15 3.94 0.00 2.12 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 2.35 2.35 0.00 55 M 7.95 4.15 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 56 K 8.28 3.87 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.59 7.81 57 A 7.89 4.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.54 4.37 0.00 3.92 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 59 E 8.76 4.08 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 60 D 8.09 4.44 0.00 2.92 2.95 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 61 L 7.91 3.39 0.00 1.31 1.58 -0.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.86 0.00 1.77 1.90 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.54 7.81 63 K 8.05 3.88 0.00 2.07 2.12 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.44 4.40 0.00 3.67 3.47 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.27 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.92 3.85 4.46 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 1.23 0.00 0.00 67 V 7.76 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 68 V 8.04 3.60 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 1.05 0.00 0.00 1.00 0.00 0.00 69 L 8.25 4.28 0.00 1.78 1.84 0.89 1.02 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 70 T 8.31 3.97 4.46 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 1.26 0.00 0.00 71 A 8.00 3.98 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.08 3.73 0.00 1.65 1.80 0.10 0.79 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 73 G 8.38 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 0.00 0.00 0.00 74 G 7.69 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 75 I 7.42 3.85 1.90 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 1.55 0.78 0.97 0.00 0.00 76 L 7.76 3.90 0.00 1.22 1.48 0.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 3.90 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.58 7.81 78 K 7.92 3.97 0.00 1.80 1.89 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.72 7.81 79 K 8.26 2.00 0.00 1.24 0.74 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.40 0.76 7.81 80 G 7.87 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 81 H 7.58 4.68 0.00 3.21 3.23 0.00 5.58 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 82 H 7.32 5.59 0.00 3.28 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.96 0.00 2.09 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 0.00 2.42 2.49 0.00 84 A 8.03 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.08 4.13 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 2.39 2.42 0.00 86 L 8.31 4.05 0.00 1.74 1.66 0.72 0.30 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 87 K 8.15 3.82 0.00 1.94 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.22 0.00 2.40 2.31 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 89 L 7.48 3.97 0.00 1.80 1.90 1.03 1.30 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 90 A 8.09 4.04 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 91 Q 8.34 3.94 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 92 D 8.19 4.28 0.00 2.71 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 93 H 8.44 4.11 0.00 3.47 3.53 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.79 2.59 0.40 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 95 T 7.36 3.66 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 1.12 0.00 0.00 96 K 7.50 4.01 0.00 1.54 1.62 0.00 1.38 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.35 7.81 97 H 8.07 4.28 0.00 3.04 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.44 3.51 0.00 1.92 1.99 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.35 7.81 99 I 7.94 4.41 2.10 0.00 0.00 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 1.39 0.99 1.21 0.00 0.00 100 P 0.00 4.55 0.00 1.74 1.69 0.00 2.90 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 1.09 1.79 0.00 101 I 8.55 3.71 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 0.82 0.00 0.00 102 K 7.84 3.70 0.00 1.65 1.50 0.00 1.33 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 0.35 7.81 103 Y 7.91 4.35 0.00 3.14 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 0.00 104 L 7.85 4.21 0.00 1.80 1.73 0.71 0.97 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 0.00 105 E 7.84 3.92 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 106 F 7.99 4.53 0.00 3.29 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.17 3.82 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 1.07 0.00 0.00 108 S 8.22 4.23 0.00 4.22 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 0.00 109 D 8.42 4.45 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.20 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 0.00 111 I 7.93 3.65 2.10 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 1.57 0.75 0.99 0.00 0.00 112 I 7.58 3.80 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 1.15 0.00 0.00 113 H 8.42 4.10 0.00 3.32 3.51 0.00 5.79 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 0.00 114 V 8.11 3.62 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 0.99 0.00 0.00 0.96 0.00 0.00 115 L 8.10 3.85 0.00 1.35 0.54 0.49 0.83 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 0.00 116 H 8.04 4.44 0.00 3.33 3.39 0.00 5.66 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 0.00 117 S 8.03 4.20 0.00 3.82 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 0.00 118 K 8.04 4.15 0.00 1.60 1.45 0.00 1.48 0.00 0.00 1.36 0.00 0.00 2.39 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.27 1.32 7.81 119 H 8.03 4.92 0.00 3.23 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.51 0.00 2.19 2.18 0.00 3.82 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 1.99 1.96 0.00 121 G 9.24 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 0.00 122 D 7.93 4.74 0.00 2.69 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 0.00 123 F 7.96 4.88 0.00 2.82 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 0.00 124 G 8.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.33 3.89 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 0.00 126 D 7.97 4.25 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 0.00 127 A 7.77 3.98 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 0.00 128 Q 7.76 3.58 0.00 1.30 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 129 G 7.81 3.54 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 0.00 130 A 7.93 3.86 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 0.00 131 M 8.29 4.01 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.80 0.00 132 T 8.14 3.89 4.39 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 1.23 0.00 0.00 133 K 8.03 4.03 0.00 1.88 1.83 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.37 7.81 134 A 8.12 3.84 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 0.00 135 L 8.17 4.11 0.00 1.91 1.82 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.32 4.00 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 137 L 8.10 3.99 0.00 1.79 1.96 0.99 1.00 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 0.00 138 F 8.30 4.19 0.00 3.16 3.20 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 0.00 139 R 8.17 3.63 0.00 2.08 1.89 0.00 3.14 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 1.60 1.73 0.00 140 N 8.53 4.24 0.00 2.88 2.81 0.00 0.00 7.25 8.07 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 0.00 141 D 8.11 4.38 0.00 2.81 2.67 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 0.00 142 I 7.29 3.50 1.46 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.30 0.09 0.00 0.00 143 A 8.05 3.82 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 0.00 144 A 7.97 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 0.00 145 K 7.76 4.07 0.00 2.00 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.62 7.81 146 Y 8.30 4.29 0.00 3.18 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 0.00 147 K 8.33 3.97 0.00 1.94 2.04 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.86 4.00 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 149 L 7.85 4.30 0.00 1.78 1.69 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.72 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 0.00 151 F 8.19 4.43 0.00 2.73 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 0.00 152 Q 8.03 3.96 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 153 G 7.18 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