NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7001 8.4249 119.2028 53.1896 39.2162 172.2935 4 I 4.7083 7.6609 122.9638 58.6936 41.4551 172.5470 5 T 5.0297 9.2732 122.6551 61.6737 72.6930 172.4242 6 I 4.8295 8.4531 125.5339 59.3863 41.2363 173.9159 7 Y 4.9105 9.2577 128.0279 57.7264 38.0688 173.6759 8 H 5.1241 9.5630 125.3361 54.1747 33.0661 172.7913 9 N 4.9475 8.8385 123.4366 51.0023 39.6372 172.4001 10 P 4.1537 0.0000 0.0000 65.0794 32.1628 177.4236 11 A 4.2524 8.0971 123.6231 50.9175 17.4694 177.1637 *13 G 4.0676 7.7421 113.0976 45.4484 0.0000 174.2482 14 T 3.8838 7.9147 116.3588 66.5454 68.4551 176.5218 15 S 4.1860 8.0586 114.5484 61.3257 62.5073 176.2323 16 R 4.0186 8.0084 120.3112 59.4635 29.9015 178.5407 17 N 4.5435 8.8336 116.5437 56.6943 38.4419 177.5638 18 T 3.7708 8.0973 117.0691 66.5229 68.5855 176.3462 19 L 3.8901 8.0061 122.1324 58.3500 42.0582 178.9670 20 E 4.1050 8.4800 118.4893 59.5361 29.1580 179.2403 21 M 3.4986 7.8669 118.3525 57.9523 32.1846 178.3815 22 I 3.7812 7.8714 120.2551 64.6953 37.2882 178.6164 23 R 4.2855 7.9749 119.9025 58.6758 29.8547 178.2861 24 N 4.5096 8.4067 116.1278 55.2449 38.8058 175.9212 25 S 4.6510 7.7567 113.9321 58.9291 63.6871 174.7020 26 G 4.0446 8.5137 111.6231 45.3740 0.0000 173.4360 27 T 4.5685 7.5337 108.8403 59.3450 71.6083 172.4760 28 E 4.3559 8.6118 124.7868 54.4991 30.1369 174.0976 29 P 4.7274 0.0000 0.0000 62.2718 33.1991 175.9655 30 T 4.0354 8.8094 118.5415 63.7778 69.4542 173.5253 31 I 4.6728 8.3183 127.1425 59.6556 39.2383 174.9422 32 I 4.2235 8.2866 128.4821 59.6024 39.3470 175.6040 33 L 4.6698 8.5370 128.8399 53.7204 39.3200 176.8581 34 Y 4.7327 8.3181 121.7012 59.1711 37.8930 178.4146 35 L 3.9081 6.9548 119.8511 56.9900 41.7283 178.0742 36 E 4.4073 7.3142 114.1837 56.8019 31.7549 176.2881 37 N 5.0791 8.3126 115.5179 50.8066 38.9411 172.0007 38 P 4.7643 0.0000 0.0000 61.5056 32.7503 175.4697 39 P 4.5187 0.0000 0.0000 62.4220 31.9255 176.6954 40 S 4.4116 8.3499 114.9521 57.7803 65.0692 175.2375 41 R 3.8399 8.4244 121.1769 59.7908 29.7468 177.8405 42 D 4.3599 8.1089 118.0071 57.5693 40.8534 178.4610 43 E 3.9476 8.1557 119.6009 59.1204 29.5657 178.6360 44 L 3.8660 8.1844 120.8800 58.0263 42.0842 178.9317 45 V 3.5407 8.1428 118.7076 65.8920 31.3558 177.9978 46 K 3.9123 8.0761 119.2792 59.3486 32.1068 178.6504 47 L 3.9324 8.2488 119.6954 57.9935 41.2332 179.6239 48 I 3.6463 7.8847 119.3161 64.4049 36.9133 178.3823 49 A 4.1820 8.2245 121.7551 55.3558 17.9829 179.4506 50 D 4.3305 8.3767 116.7115 57.3624 40.9638 178.3738 51 M 4.5161 7.4811 119.4267 54.8226 32.3431 176.2822 52 G 3.9898 7.7100 107.3534 46.6589 0.0000 172.7448 53 I 4.5807 6.9434 110.9375 57.9840 40.6805 175.0611 54 S 4.4201 8.2505 115.1001 57.5720 64.0818 174.9898 55 V 3.7089 8.4733 120.6311 66.4520 31.1585 178.2720 56 R 3.9733 8.0381 117.5187 59.2367 29.7699 178.0660 57 A 4.0962 8.0043 119.7747 54.4743 18.5739 178.1550 58 L 4.0629 7.9337 118.7836 56.7640 42.5989 176.4294 59 L 4.6380 7.5703 119.4238 54.9492 42.0569 176.7545 60 R 4.0809 8.5642 125.5549 55.8591 29.3914 176.4609 61 K 2.6718 8.2290 125.4746 55.5721 34.2553 176.1467 62 N 4.9760 8.2664 114.4177 55.3594 35.6679 175.4619 63 V 4.5511 6.9790 109.4345 58.4466 36.6736 175.4537 64 E 4.1291 9.0306 123.3176 58.5028 29.3946 177.7500 65 P 4.1353 0.0000 0.0000 65.8459 31.1463 177.6194 66 Y 3.7679 7.9313 118.8340 60.4137 38.6742 177.6777 67 E 4.0480 8.1902 119.1621 59.8171 29.4805 179.4440 68 Q 4.1161 8.1780 116.5053 58.2198 29.0515 177.1157 69 L 4.0695 7.8711 115.9827 54.2548 41.8735 177.1405 70 G 3.8832 7.8095 106.8342 46.4266 0.0000 175.8355 71 L 3.5013 7.1058 119.4584 55.6997 41.5612 178.4198 72 A 4.2258 7.1894 120.5109 54.0338 18.5581 177.7449 73 E 4.3399 7.8469 114.8129 56.0063 30.7838 176.9937 74 D 4.7864 8.3446 122.9651 53.1638 39.6669 176.0003 75 K 4.5103 7.5617 115.1861 55.9559 33.9788 176.6799 76 F 5.0813 8.0142 116.9680 55.8973 42.2877 175.7501 77 T 4.2664 9.1738 116.2901 61.2346 70.7389 175.3994 78 D 4.4362 8.6962 121.4834 58.0768 40.8419 179.1463 79 D 4.3519 8.0865 118.5039 57.2466 40.8000 178.6836 80 Q 3.8598 8.1208 118.7859 58.8735 28.6834 178.7476 81 L 4.1963 8.2092 120.0398 57.7975 41.6048 179.4837 82 I 3.7070 8.0053 119.9438 64.7187 37.0809 178.2654 83 D 4.3089 8.1874 119.5088 57.1743 40.4700 178.8952 84 F 4.3980 8.1639 118.5641 60.8089 38.6811 177.4726 85 M 4.1363 8.3630 118.3949 58.6326 31.5754 178.9264 86 L 4.0426 7.9697 117.8614 57.6307 41.8664 179.0061 87 Q 4.3099 8.0704 116.3559 56.9030 30.3844 176.1731 88 H 4.9156 8.2918 117.1062 52.8528 29.5183 172.0157 89 P 4.6222 0.0000 0.0000 64.4244 31.7957 178.4761 90 I 3.9193 7.7771 116.8123 62.9970 38.1365 176.5366 91 L 4.1580 8.2376 119.9213 57.1644 41.7127 176.3526 92 I 4.2625 7.7619 120.7545 60.3504 37.3164 175.7687 93 N 4.7363 8.9368 127.2745 53.7288 39.8056 173.7308 94 R 4.7240 8.0540 116.8845 54.0306 32.7438 172.6178 95 P 4.9202 0.0000 0.0000 61.6496 33.5397 174.6678 96 I 4.6907 8.2045 122.5036 60.4029 39.1367 174.6800 97 V 4.8744 8.9231 126.4522 61.0387 34.7746 174.0980 98 V 4.8989 9.2029 127.8981 61.4041 34.0811 174.4597 99 T 5.1604 8.8737 117.2514 59.0025 72.2339 173.1195 100 P 4.3338 0.0000 0.0000 64.9928 31.3343 177.6219 101 L 4.3341 8.4573 116.7694 54.2260 42.4982 177.1212 102 G 3.9137 6.2734 104.6164 45.7024 0.0000 170.5328 103 T 5.1794 7.7702 114.9724 61.9504 72.4231 173.6064 104 R 4.6131 8.9587 123.6575 54.1781 35.1791 174.3552 105 L 4.4245 8.5018 124.1605 54.8178 41.9878 177.1497 106 C 4.5009 8.8516 128.8601 58.3289 26.6561 172.5091 107 R 4.5014 7.6353 116.6185 53.3000 32.4637 174.1365 108 P 4.6120 0.0000 0.0000 61.6201 32.7146 177.4413 109 S 4.4006 8.8971 115.0666 60.8871 62.5388 175.8040 110 E 4.0985 8.0994 119.2447 57.5758 29.3526 178.4271 111 V 3.5337 7.8757 120.6496 66.4278 31.3897 177.9900 112 V 3.5794 7.8976 118.5101 64.5776 30.0871 178.2689 113 L 4.0250 8.0146 119.6879 57.4932 41.0882 179.0081 114 D 4.6612 8.1595 119.1561 56.3244 40.8428 177.0618 115 I 4.2917 7.3041 109.7235 60.3116 38.5422 175.5645 116 L 4.2237 7.1787 123.1469 54.6315 42.0868 177.1456 117 Q 4.1056 8.8068 122.9936 58.3847 29.0724 176.2545 118 D 4.8382 7.6767 115.5586 51.9837 42.7169 176.1932 119 A 4.1075 8.3548 125.3271 51.9813 19.0380 177.5146 120 Q 4.1519 8.5698 119.4075 56.8537 29.1463 177.8234 121 K 4.1985 8.9110 120.6991 57.4005 32.5775 176.3334 122 G 4.1279 7.4508 103.9496 45.2465 0.0000 172.9403 123 A 4.6446 9.1552 122.2113 52.4517 19.2886 177.2097 124 F 4.7436 9.4378 122.2114 56.6388 42.7523 173.7242 125 T 4.9358 7.4987 121.7905 61.2576 71.1545 174.3066 126 K 4.3353 8.9773 126.3532 56.0425 32.7757 177.9259 127 E 3.9291 9.0672 118.8321 58.8489 29.5675 177.5528 128 D 4.5466 8.0444 117.5120 53.3347 39.7197 176.9822 129 G 3.9150 8.1317 108.4957 45.2204 0.0000 173.8203 130 E 4.0573 8.5182 120.9568 56.0036 29.6801 176.6001 131 K 4.4456 8.5460 124.0737 56.2892 33.2827 176.1758 132 V 4.2866 9.2402 122.0037 63.9808 33.3099 175.9176 133 V 4.8442 7.4806 111.9102 59.3548 35.1862 175.4283 134 D 4.8570 8.5611 123.3215 52.1753 41.0325 177.0386 135 E 3.9890 8.6338 117.5017 59.3898 29.4383 178.5005 136 A 4.0422 7.9627 120.0619 53.4354 18.6735 178.0831 137 G 3.9973 8.3983 104.1776 44.7343 0.0000 173.7295 138 K 4.1413 8.2590 122.1868 55.4621 32.8219 176.4291 139 R 4.4535 8.5762 125.3891 56.6185 30.5693 176.6637 140 L 4.3047 8.6293 122.1885 54.8872 41.7755 176.3209 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 3 N 8.42 4.70 0.00 2.69 2.83 0.00 0.00 6.80 7.06 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 4 I 7.66 4.71 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.95 0.00 0.00 5 T 9.27 5.03 4.21 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 0.00 0.00 0.86 0.00 0.00 6 I 8.45 4.83 1.85 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 1.28 1.54 0.92 0.00 0.00 7 Y 9.26 4.91 0.00 2.91 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 8 H 9.56 5.12 0.00 3.25 3.19 0.00 5.72 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 9 N 8.84 4.95 0.00 2.94 2.77 0.00 0.00 7.20 7.23 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 10 P 0.00 4.15 0.00 2.04 2.11 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 11 A 8.10 4.25 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 *13 G 7.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.91 3.88 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 1.25 0.00 0.00 15 S 8.06 4.19 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.01 4.02 0.00 2.10 2.03 0.00 3.23 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 17 N 8.83 4.54 0.00 2.90 3.03 0.00 0.00 7.09 6.92 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 18 T 8.10 3.77 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 1.19 0.00 0.00 19 L 8.01 3.89 0.00 1.64 1.77 0.85 0.68 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 20 E 8.48 4.10 0.00 2.37 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 0.00 2.64 2.61 0.00 21 M 7.87 3.50 0.00 1.62 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 0.00 22 I 7.87 3.78 1.96 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 1.48 0.97 0.92 0.00 0.00 23 R 7.97 4.29 0.00 2.02 2.00 0.00 3.33 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 24 N 8.41 4.51 0.00 3.06 3.08 0.00 0.00 6.87 7.23 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 25 S 7.76 4.65 0.00 4.28 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 26 G 8.51 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 0.00 0.00 0.00 27 T 7.53 4.57 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 28 E 8.61 4.36 0.00 1.92 1.89 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 2.23 2.33 0.00 29 P 0.00 4.73 0.00 2.07 1.99 0.00 3.79 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 1.93 1.95 0.00 30 T 8.81 4.04 4.17 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 1.14 0.00 0.00 31 I 8.32 4.67 1.85 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 1.29 0.72 0.94 0.00 0.00 32 I 8.29 4.22 1.30 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 1.01 0.00 0.00 33 L 8.54 4.67 0.00 1.67 1.56 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.32 4.73 0.00 3.49 3.57 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 35 L 6.95 3.91 0.00 1.35 1.58 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.31 4.41 0.00 1.99 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 2.22 2.24 0.00 37 N 8.31 5.08 0.00 2.71 2.75 0.00 0.00 6.74 7.69 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 38 P 0.00 4.76 0.00 2.24 2.23 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 39 P 0.00 4.52 0.00 2.16 2.03 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 40 S 8.35 4.41 0.00 4.08 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.42 3.84 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 D 8.11 4.36 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.95 0.00 2.13 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 2.41 2.35 0.00 44 L 8.18 3.87 0.00 1.77 1.74 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.14 3.54 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 1.01 0.00 0.00 1.00 0.00 0.00 46 K 8.08 3.91 0.00 1.88 1.94 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.48 7.81 47 L 8.25 3.93 0.00 1.71 1.59 0.45 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.88 3.65 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.93 0.00 0.00 49 A 8.22 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.38 4.33 0.00 2.61 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.48 4.52 0.00 1.98 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 52 G 7.71 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 53 I 6.94 4.58 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.94 0.00 0.00 54 S 8.25 4.42 0.00 4.02 3.92 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 55 V 8.47 3.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 56 R 8.04 3.97 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 57 A 8.00 4.10 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 58 L 7.93 4.06 0.00 1.72 1.80 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.57 4.64 0.00 1.81 1.77 1.01 0.91 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 60 R 8.56 4.08 0.00 1.79 1.77 0.00 3.26 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 61 K 8.23 2.67 0.00 1.44 1.15 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.82 1.15 7.81 62 N 8.27 4.98 0.00 2.79 2.91 0.00 0.00 7.06 7.68 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 63 V 6.98 4.55 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 0.95 0.00 0.00 1.00 0.00 0.00 64 E 9.03 4.13 0.00 2.03 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 2.46 2.25 0.00 65 P 0.00 4.14 0.00 2.15 2.12 0.00 3.68 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 2.05 0.00 66 Y 7.93 3.77 0.00 2.93 3.07 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 67 E 8.19 4.05 0.00 2.27 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 2.40 2.49 0.00 68 Q 8.18 4.12 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 69 L 7.87 4.07 0.00 1.16 1.02 0.34 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.11 3.50 0.00 0.32 1.03 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.19 4.23 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 73 E 7.85 4.34 0.00 2.06 1.89 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 2.33 2.34 0.00 74 D 8.34 4.79 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.51 0.00 1.48 1.54 0.00 1.32 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.63 0.21 7.81 76 F 8.01 5.08 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.17 4.27 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 1.23 0.00 0.00 78 D 8.70 4.44 0.00 2.76 2.79 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 79 D 8.09 4.35 0.00 2.76 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 80 Q 8.12 3.86 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 81 L 8.21 4.20 0.00 1.92 1.78 1.00 0.62 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 82 I 8.01 3.71 1.99 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 0.67 0.89 0.00 0.00 83 D 8.19 4.31 0.00 2.50 2.54 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 84 F 8.16 4.40 0.00 3.18 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 85 M 8.36 4.14 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 86 L 7.97 4.04 0.00 1.73 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.07 4.31 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.18 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 88 H 8.29 4.92 0.00 3.27 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.62 0.00 2.22 2.33 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 90 I 7.78 3.92 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 1.46 0.79 0.96 0.00 0.00 91 L 8.24 4.16 0.00 1.92 1.77 0.95 0.73 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 92 I 7.76 4.26 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.63 0.00 0.00 93 N 8.94 4.74 0.00 2.84 2.67 0.00 0.00 7.04 7.21 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 94 R 8.05 4.72 0.00 1.78 1.63 0.00 3.36 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 95 P 0.00 4.92 0.00 2.18 2.28 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 96 I 8.20 4.69 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.88 0.00 0.00 97 V 8.92 4.87 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 1.04 0.00 0.00 0.94 0.00 0.00 98 V 9.20 4.90 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 0.98 0.00 0.00 1.07 0.00 0.00 99 T 8.87 5.16 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 0.00 100 P 0.00 4.33 0.00 2.06 2.17 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 101 L 8.46 4.33 0.00 1.75 1.71 0.91 0.73 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 0.00 102 G 6.27 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 0.00 0.00 0.00 103 T 7.77 5.18 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 1.28 0.00 0.00 104 R 8.96 4.61 0.00 1.65 1.73 0.00 3.27 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.50 4.42 0.00 1.59 1.57 0.86 0.89 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 0.00 106 C 8.85 4.50 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.64 4.50 0.00 1.73 1.82 0.00 3.45 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 108 P 0.00 4.61 0.00 2.42 2.20 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 109 S 8.90 4.40 0.00 4.06 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 0.00 110 E 8.10 4.10 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 111 V 7.88 3.53 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 1.11 0.00 0.00 0.95 0.00 0.00 112 V 7.90 3.58 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 0.68 0.00 0.00 0.89 0.00 0.00 113 L 8.01 4.02 0.00 1.74 1.73 0.89 0.87 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 0.00 114 D 8.16 4.66 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.30 4.29 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 1.28 0.60 0.90 0.00 0.00 116 L 7.18 4.22 0.00 1.82 1.62 0.84 0.85 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 0.00 117 Q 8.81 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.68 4.84 0.00 2.80 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 0.00 119 A 8.35 4.11 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 0.00 120 Q 8.57 4.15 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 121 K 8.91 4.20 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 122 G 7.45 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 0.00 123 A 9.16 4.64 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 0.00 124 F 9.44 4.74 0.00 3.01 2.87 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 0.00 125 T 7.50 4.94 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 1.17 0.00 0.00 126 K 8.98 4.34 0.00 1.93 1.80 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.55 7.81 127 E 9.07 3.93 0.00 2.06 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 2.47 2.26 0.00 128 D 8.04 4.55 0.00 2.80 2.81 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 0.00 0.00 0.00 129 G 8.13 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 0.00 0.00 0.00 130 E 8.52 4.06 0.00 2.10 1.93 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 2.34 2.74 0.00 131 K 8.55 4.45 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.41 7.81 132 V 9.24 4.29 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 1.12 0.00 0.00 1.13 0.00 0.00 133 V 7.48 4.84 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 0.80 0.00 0.00 1.04 0.00 0.00 134 D 8.56 4.86 0.00 2.88 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 0.00 135 E 8.63 3.99 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 136 A 7.96 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.40 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 0.00 138 K 8.26 4.14 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 R 8.58 4.45 0.00 1.85 1.88 0.00 3.55 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.63 4.30 0.00 1.63 1.57 0.94 1.15 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 * Residues marked with a * may have inaccurate shift predictions.