NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.4529 8.5445 117.3446 53.9108 30.2377 173.9382 5 D 4.9548 7.6863 114.6764 51.8491 41.4627 178.3336 6 E 4.2260 8.7637 121.4834 57.6240 31.6240 175.3862 7 R 5.2855 8.5233 123.5784 54.7989 34.1400 174.4521 8 T 4.8293 8.7838 115.2759 60.3463 71.4933 172.2335 9 F 5.3519 8.8650 128.3416 57.5311 41.0571 174.6999 10 V 4.4463 8.1319 124.4449 60.4647 35.4587 174.0524 11 M 4.7279 8.3880 121.9074 54.3401 35.8009 173.7523 12 V 4.2121 8.8075 127.7173 62.7020 32.9478 176.0766 13 K 4.5329 9.0978 128.3287 55.1141 33.6235 176.4823 14 P 4.5331 0.0000 0.0000 65.0807 31.0237 178.3818 15 D 4.5949 8.4953 117.6659 56.9192 39.0854 179.1084 16 G 3.6890 8.1439 107.1889 46.9214 0.0000 175.3942 17 V 3.6823 7.9367 120.6549 66.1807 31.3190 178.0192 18 Q 4.0884 8.1774 117.6052 58.3733 28.9616 177.0904 19 R 4.4933 7.9863 116.8752 55.2390 30.5576 176.2205 20 G 3.7786 7.9198 106.0856 47.5797 0.0000 175.0017 21 L 4.6912 7.7981 116.9185 53.7654 42.4623 177.7552 22 I 3.7953 7.6744 121.6416 64.5179 37.1315 178.2099 23 G 3.6136 7.9858 105.8739 47.9636 0.0000 175.1340 24 D 4.4119 7.8756 120.7361 57.1656 40.8717 178.9171 25 I 3.6896 7.7088 120.2454 64.2097 37.0808 178.5196 26 V 3.7124 8.0849 119.1877 66.4740 31.3951 177.8024 27 T 3.9456 8.3096 115.8714 67.0626 68.4667 176.3835 28 R 3.9019 7.9145 119.3752 59.3389 29.5772 179.2449 29 L 3.6592 7.5686 118.5366 57.6025 41.5147 179.2014 30 E 4.2742 8.3119 118.6635 60.1153 29.2279 179.7213 31 T 4.0159 7.9595 114.6414 66.2085 68.6005 176.6459 32 K 4.0707 7.5869 120.5034 57.8502 32.1719 177.5966 33 G 3.9905 7.6937 105.8252 44.8347 0.0000 173.4080 34 L 4.5590 7.2802 118.0786 54.1501 43.1415 176.3934 35 K 4.6773 9.1798 122.8092 54.6757 34.4358 174.9672 36 M 3.5922 8.7412 128.6125 55.4506 32.1450 175.9266 37 V 4.5139 8.6898 124.6941 61.8586 34.6975 175.3537 38 G 4.1396 7.2132 106.4478 44.2663 0.0000 171.7678 39 G 4.2455 8.5389 102.0539 45.3479 0.0000 173.2921 40 K 4.6886 8.6075 128.3062 55.1280 35.6348 174.5571 41 F 5.2508 9.2947 131.3019 58.2488 40.1887 174.1854 42 M 4.5597 8.3882 122.0663 54.6053 35.0054 173.0709 43 R 4.6336 8.3051 119.9826 54.7443 31.6959 175.4151 44 I 4.0881 8.2466 127.4886 60.4731 38.3760 175.9754 45 D 4.7042 8.1702 124.9859 51.9930 42.4310 177.1532 46 E 3.8019 8.5585 118.8591 59.9533 29.3354 179.7118 47 E 3.9513 7.9437 117.7760 59.1392 29.6284 178.9481 48 L 3.7908 7.7283 119.8320 57.8946 42.1843 178.6888 49 A 3.9655 8.1874 121.0455 55.3587 18.0273 179.3616 50 H 4.5188 8.1050 114.1934 59.0263 29.1601 177.6837 51 E 4.0768 8.0290 120.0322 59.5506 29.1634 178.4017 52 H 4.1189 7.5540 117.1618 59.3225 30.0241 177.0322 53 Y 5.0697 7.5589 115.8277 57.8879 39.5692 177.3158 54 A 4.2394 8.0469 125.6505 55.1911 18.7569 180.2706 55 E 4.2442 8.2660 110.7485 58.4139 29.5173 176.8566 56 H 5.0716 8.4624 115.6370 55.7465 30.7645 174.7953 57 E 2.5400 8.3069 121.8796 59.0390 29.3637 178.0621 58 D 4.3244 7.9643 116.7372 56.1069 39.3054 177.2490 59 K 4.2308 7.2842 118.3098 54.2047 33.2276 176.2293 60 P 4.3149 0.0000 0.0000 65.8175 31.4429 178.1666 61 F 4.5021 7.8747 110.9810 57.6692 38.6590 176.5324 62 F 4.0389 7.6019 123.4614 62.1193 39.1471 176.7947 63 D 4.3891 8.2607 117.6095 56.9822 40.6014 178.7688 64 G 3.7275 8.1184 105.7854 47.0763 0.0000 175.5120 65 L 4.1569 7.8928 122.8706 58.2605 41.8713 179.2219 66 V 3.7947 7.6578 112.0211 63.7466 31.2447 178.3863 67 S 4.1227 7.7030 112.3302 61.3576 62.4932 175.8340 68 F 4.5287 7.9793 123.1785 61.3841 39.1225 176.9060 69 I 3.5730 7.9282 115.9872 62.5438 37.7093 176.4734 70 T 4.4756 7.3665 108.5641 61.7583 69.2349 175.4881 71 S 4.1570 8.1245 117.2679 59.1486 63.2071 173.6094 72 G 3.8914 6.3986 110.9032 44.4271 0.0000 170.7058 73 P 4.4580 0.0000 0.0000 62.7315 32.7945 175.5478 74 V 4.6242 8.6868 113.4534 59.4646 36.2289 174.4921 75 F 5.3854 9.1786 123.8821 56.7376 41.5671 173.6394 76 A 4.7349 8.5707 129.0887 51.1293 20.7674 175.6773 77 M 5.1258 8.6733 119.8647 53.9126 37.4811 174.0775 78 V 4.8574 7.9169 120.0713 60.9722 34.8628 174.3354 79 W 5.1370 9.1977 126.9647 54.8249 32.2550 174.1124 80 E 5.2466 10.1358 124.1822 53.6594 32.3414 175.2124 81 G 4.1941 8.0463 114.4189 45.6934 0.0000 172.0335 82 A 3.8945 7.4458 122.6734 53.3581 18.4794 177.1973 83 D 4.5954 9.0074 121.4285 55.5890 39.9183 175.5017 84 A 4.0382 8.1824 121.3954 55.0692 18.1110 180.1835 85 T 3.8221 8.0005 113.5744 67.0026 68.6206 176.7684 86 R 3.5523 7.8856 119.8143 59.4832 30.1672 178.3725 87 Q 3.9945 8.4063 118.2233 58.9118 28.5572 179.0236 88 V 3.5212 7.8872 119.3716 65.9516 31.4519 178.3704 89 R 3.9037 7.7956 117.7841 59.2139 29.5961 179.0777 90 Q 4.0163 7.8862 117.4022 58.8250 28.9310 178.2660 91 L 4.1627 7.9463 119.9747 57.6029 41.6692 179.3749 92 M 4.0841 8.3279 119.5105 56.0417 31.8357 177.7351 93 G 4.1136 7.6032 103.1234 44.1963 0.0000 172.4205 94 A 4.0722 8.3355 121.0346 52.6778 18.7435 178.1427 95 T 3.9631 8.4638 111.0352 64.4807 69.5235 174.8489 96 D 4.3161 7.9658 123.0425 53.4046 41.6709 176.4128 97 A 4.0754 8.6135 130.8116 55.2440 18.6021 179.3385 98 Q 4.1037 8.6198 114.4684 58.3156 28.7920 176.8887 99 D 4.6381 7.7887 115.7127 54.1779 41.7985 176.7701 100 A 4.0909 7.4925 122.7014 51.4053 19.2652 177.3174 101 A 4.1215 8.4068 125.1734 51.1164 19.2118 175.4167 102 P 4.4140 0.0000 0.0000 64.5786 31.8648 176.1933 103 G 3.9968 9.7128 110.7458 45.7942 0.0000 174.7749 104 T 4.3674 7.4655 109.5984 60.7323 71.1862 175.7423 105 I 3.8724 8.5062 123.3054 65.0672 37.3204 179.2077 106 R 4.2065 8.1527 118.3864 58.7402 29.6042 179.3996 107 G 3.5723 7.5847 105.5508 47.4794 0.0000 174.9590 108 D 4.4068 7.8831 119.7634 55.5378 41.3209 177.0536 109 Y 4.6385 8.0199 115.1381 57.7509 39.5271 175.5836 110 G 4.3255 7.7237 106.7759 43.9865 0.0000 172.4703 111 N 4.9403 8.2975 115.2173 52.4183 39.6588 172.9767 112 D 4.5599 7.8278 113.8817 52.8852 44.4409 175.3840 113 L 3.9996 8.3767 123.5231 57.4412 42.6864 178.1306 114 G 3.4661 8.0500 105.6119 48.7253 0.0000 174.1614 115 H 4.2124 7.4559 120.5534 53.6319 27.2949 174.4110 116 N 4.9694 8.2423 119.7220 52.1917 38.2902 176.0729 117 L 4.4266 9.8592 122.5390 56.4530 41.0484 174.1530 118 I 5.0910 7.6567 114.9285 59.9499 41.4929 173.5277 119 H 5.0974 9.3877 126.8933 54.3692 32.9037 172.6528 120 G 4.4748 8.1884 110.1497 44.0944 0.0000 172.2786 121 S 5.1138 8.3497 118.0128 57.5895 64.0892 173.4476 122 D 4.6191 8.8759 124.8427 54.2681 41.3498 175.4887 123 H 4.3757 9.3235 126.0962 59.2870 28.7647 176.8640 124 E 4.6697 7.7802 114.9381 55.8500 29.7301 179.7869 125 D 4.7137 7.9170 120.0038 52.2812 41.7737 172.2085 126 E 3.9979 8.4287 120.2645 58.0028 30.2239 177.8902 127 G 3.9963 9.1328 111.9282 45.3162 0.0000 175.0503 128 A 4.0546 8.3770 122.4041 55.0684 18.2593 179.1696 129 N 4.9147 8.1338 116.3793 56.0534 37.3184 177.1944 130 E 3.9982 8.1801 120.9974 58.4389 29.5708 179.2598 131 R 3.9201 8.2209 119.0502 59.2950 30.3289 178.3277 132 E 3.9032 8.6490 118.8178 59.5197 29.5555 179.3085 133 I 3.8857 8.1510 119.8436 64.6116 36.9876 178.4281 134 A 4.1168 8.0349 120.2881 54.6372 18.2254 179.3151 135 L 3.9057 7.7051 118.4873 58.3634 42.3454 178.7376 136 F 4.0617 7.8534 115.1886 57.7310 39.3813 175.8439 137 F 5.0756 7.6662 115.5381 55.6579 42.4931 174.0049 138 D 5.0444 8.4837 122.0922 52.5762 43.1750 177.5538 139 D 4.4650 8.5296 120.3824 57.2506 41.1053 178.6863 140 D 4.4231 8.2464 117.8766 56.0769 39.2349 177.3265 141 E 4.3208 8.0530 117.9135 57.6748 30.1236 176.6544 142 L 4.4325 7.3388 118.4714 54.1838 42.7648 176.6834 143 V 4.4139 8.3849 121.9867 61.2043 33.8449 174.5600 144 D 4.9678 8.8901 128.3577 53.3751 41.5420 175.7670 145 W 5.1455 8.7036 119.3122 55.4492 31.2224 173.4729 146 D 4.5471 8.6227 118.2488 52.2556 41.6205 176.1790 147 R 3.8823 7.6909 125.4496 55.4857 30.9984 176.7833 148 D 4.3484 8.9013 125.4991 57.4528 40.9550 178.5022 149 A 4.2337 8.1168 120.4806 54.9167 18.2306 179.2528 150 S 4.0453 7.7453 114.0048 61.7735 62.6796 175.9760 151 A 4.1454 7.9044 120.6331 52.7863 18.5266 178.1862 152 W 4.6590 7.9990 116.4020 56.9922 30.4582 178.2790 153 V 3.6030 7.6047 117.6360 64.2824 31.5989 175.3083 154 Y 4.8142 7.4756 116.6692 55.7309 39.8695 176.0228 155 E 3.8333 9.2803 128.2828 60.1395 29.8224 179.3257 156 D 4.4429 8.2768 117.5891 55.8873 39.9921 179.1103 157 L 4.4135 7.0798 115.8237 55.2798 41.8363 181.6552 158 A 4.0469 7.6403 124.3243 53.5326 19.6746 175.9134 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 *4 H 8.54 4.45 0.00 2.95 3.04 0.00 7.13 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.69 4.95 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.23 0.00 2.03 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 2.40 2.37 0.00 7 R 8.52 5.29 0.00 1.70 1.79 0.00 3.19 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 8 T 8.78 4.83 4.32 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 1.30 0.00 0.00 9 F 8.87 5.35 0.00 3.26 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 10 V 8.13 4.45 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 0.77 0.00 0.00 0.82 0.00 0.00 11 M 8.39 4.73 0.00 1.72 1.50 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 12 V 8.81 4.21 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 1.05 0.00 0.00 1.09 0.00 0.00 13 K 9.10 4.53 0.00 2.10 1.70 0.00 1.99 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.52 7.81 14 P 0.00 4.53 0.00 1.77 2.01 0.00 3.06 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 15 D 8.50 4.59 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 16 G 8.14 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 17 V 7.94 3.68 2.28 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 1.17 0.00 0.00 1.10 0.00 0.00 18 Q 8.18 4.09 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 19 R 7.99 4.49 0.00 1.83 1.95 0.00 3.31 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 20 G 7.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.80 4.69 0.00 1.67 1.33 0.79 0.48 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 22 I 7.67 3.80 1.76 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 1.65 0.64 0.63 0.00 0.00 23 G 7.99 3.61 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 0.00 0.00 0.00 24 D 7.88 4.41 0.00 2.60 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 25 I 7.71 3.69 2.03 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 1.36 0.65 0.90 0.00 0.00 26 V 8.08 3.71 2.28 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 1.39 0.00 0.00 1.37 0.00 0.00 27 T 8.31 3.95 4.50 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 1.24 0.00 0.00 28 R 7.91 3.90 0.00 1.88 1.94 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 29 L 7.57 3.66 0.00 0.27 0.22 -0.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.31 4.27 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.81 0.00 31 T 7.96 4.02 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 1.21 0.00 0.00 32 K 7.59 4.07 0.00 1.69 1.96 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 33 G 7.69 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 34 L 7.28 4.56 0.00 1.89 1.95 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.18 4.68 0.00 1.77 1.78 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.56 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.00 7.81 36 M 8.74 3.59 0.00 1.73 0.57 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 37 V 8.69 4.51 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 0.54 0.00 0.00 1.13 0.00 0.00 38 G 7.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.54 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 0.00 0.00 0.00 0.00 40 K 8.61 4.69 0.00 1.61 1.44 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.19 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.35 1.37 7.81 41 F 9.29 5.25 0.00 3.22 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 42 M 8.39 4.56 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 43 R 8.31 4.63 0.00 1.76 1.79 0.00 3.19 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 44 I 8.25 4.09 2.01 0.00 0.00 1.00 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 0.74 0.86 0.00 0.00 45 D 8.17 4.70 0.00 2.80 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 46 E 8.56 3.80 0.00 1.99 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 2.36 2.41 0.00 47 E 7.94 3.95 0.00 1.94 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 2.34 2.49 0.00 48 L 7.73 3.79 0.00 1.53 1.59 0.38 0.71 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 49 A 8.19 3.97 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 50 H 8.10 4.52 0.00 3.37 3.49 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 51 E 8.03 4.08 0.00 2.03 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 2.31 2.28 0.00 52 H 7.55 4.12 0.00 3.10 2.88 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.56 5.07 0.00 3.30 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 54 A 8.05 4.24 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 55 E 8.27 4.24 0.00 2.12 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 2.14 2.18 0.00 56 H 8.46 5.07 0.00 3.55 3.19 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 57 E 8.31 2.54 0.00 1.64 1.61 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 1.75 1.92 0.00 58 D 7.96 4.32 0.00 2.69 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 59 K 7.28 4.23 0.00 0.79 1.36 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.32 1.20 7.81 60 P 0.00 4.31 0.00 2.14 2.15 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 61 F 7.87 4.50 0.00 3.23 3.28 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 62 F 7.60 4.04 0.00 3.04 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 63 D 8.26 4.39 0.00 2.78 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 64 G 8.12 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 65 L 7.89 4.16 0.00 2.14 1.69 0.53 0.74 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 66 V 7.66 3.79 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 0.38 0.00 0.00 0.86 0.00 0.00 67 S 7.70 4.12 0.00 4.19 4.12 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 68 F 7.98 4.53 0.00 3.22 3.28 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 69 I 7.93 3.57 2.24 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 1.73 0.81 1.03 0.00 0.00 70 T 7.37 4.48 4.20 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 1.29 0.00 0.00 71 S 8.12 4.16 0.00 4.11 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 0.00 72 G 6.40 3.89 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 0.00 0.00 0.00 73 P 0.00 4.46 0.00 1.15 1.83 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 74 V 8.69 4.62 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 0.57 0.00 0.00 0.94 0.00 0.00 75 F 9.18 5.39 0.00 3.26 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 76 A 8.57 4.73 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.67 5.13 0.00 1.85 2.16 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 1.86 2.11 0.00 78 V 7.92 4.86 1.75 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 1.04 0.00 0.00 0.17 0.00 0.00 79 W 9.20 5.14 0.00 3.36 3.24 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 80 E 10.14 5.25 0.00 1.97 1.75 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 2.25 2.35 0.00 81 G 8.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.45 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 83 D 9.01 4.60 0.00 2.96 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 84 A 8.18 4.04 1.47 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 0.00 0.00 0.00 85 T 8.00 3.82 4.36 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 1.33 0.00 0.00 86 R 7.89 3.55 0.00 1.72 1.97 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 87 Q 8.41 3.99 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 88 V 7.89 3.52 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 1.01 0.00 0.00 0.85 0.00 0.00 89 R 7.80 3.90 0.00 1.87 1.98 0.00 3.31 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 90 Q 7.89 4.02 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 91 L 7.95 4.16 0.00 1.80 1.66 0.82 0.91 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 92 M 8.33 4.08 0.00 2.05 2.22 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 2.65 2.54 0.00 93 G 7.60 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 0.00 0.00 0.00 94 A 8.34 4.07 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 95 T 8.46 3.96 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 1.23 0.00 0.00 96 D 7.97 4.32 0.00 2.65 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 97 A 8.61 4.08 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 98 Q 8.62 4.10 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 99 D 7.79 4.64 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 0.00 100 A 7.49 4.09 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 0.00 101 A 8.41 4.12 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 0.00 102 P 0.00 4.41 0.00 2.01 1.97 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 103 G 9.71 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 0.00 104 T 7.47 4.37 4.48 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 1.26 0.00 0.00 105 I 8.51 3.87 1.92 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 1.62 0.81 1.03 0.00 0.00 106 R 8.15 4.21 0.00 2.00 2.00 0.00 3.29 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 107 G 7.58 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 0.00 0.00 0.00 108 D 7.88 4.41 0.00 1.82 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 0.00 0.00 0.00 109 Y 8.02 4.64 0.00 3.14 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 0.00 110 G 7.72 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 0.00 0.00 0.00 111 N 8.30 4.94 0.00 2.64 2.72 0.00 0.00 6.70 8.47 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 0.00 112 D 7.83 4.56 0.00 2.69 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 0.00 113 L 8.38 4.00 0.00 1.53 1.54 0.81 0.85 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 0.00 114 G 8.05 3.47 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 0.00 0.00 0.00 0.00 115 H 7.46 4.21 0.00 2.90 3.32 0.00 5.79 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 0.00 116 N 8.24 4.97 0.00 2.90 3.10 0.00 0.00 6.28 6.67 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 0.00 117 L 9.86 4.43 0.00 1.97 2.03 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.66 5.09 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.94 0.00 0.00 119 H 9.39 5.10 0.00 3.35 3.14 0.00 5.58 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 0.00 120 G 8.19 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 0.00 0.00 0.00 0.00 121 S 8.35 5.11 0.00 3.90 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 0.00 122 D 8.88 4.62 0.00 2.69 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 0.00 123 H 9.32 4.38 0.00 3.38 3.61 0.00 5.50 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.78 4.67 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 125 D 7.92 4.71 0.00 2.65 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 0.00 126 E 8.43 4.00 0.00 2.01 1.95 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 2.34 2.31 0.00 127 G 9.13 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 0.00 128 A 8.38 4.05 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 0.00 129 N 8.13 4.91 0.00 3.15 3.19 0.00 0.00 6.75 7.66 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 0.00 130 E 8.18 4.00 0.00 2.03 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 2.43 2.33 0.00 131 R 8.22 3.92 0.00 1.91 2.15 0.00 3.12 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 1.66 1.68 0.00 132 E 8.65 3.90 0.00 2.37 1.90 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 2.45 2.60 0.00 133 I 8.15 3.89 2.06 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 1.61 1.31 0.93 0.00 0.00 134 A 8.03 4.12 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 0.00 135 L 7.71 3.91 0.00 1.70 1.79 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.85 4.06 0.00 2.70 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 0.00 137 F 7.67 5.08 0.00 3.23 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 0.00 138 D 8.48 5.04 0.00 2.78 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 0.00 139 D 8.53 4.46 0.00 2.72 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 0.00 140 D 8.25 4.42 0.00 2.80 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 0.00 141 E 8.05 4.32 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 142 L 7.34 4.43 0.00 1.46 1.52 0.91 0.51 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 0.00 143 V 8.38 4.41 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 0.72 0.00 0.00 0.87 0.00 0.00 144 D 8.89 4.97 0.00 2.66 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 0.00 145 W 8.70 5.15 0.00 3.47 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 0.00 146 D 8.62 4.55 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.69 3.88 0.00 0.91 1.49 0.00 3.13 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 148 D 8.90 4.35 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.12 4.23 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 0.00 150 S 7.75 4.05 0.00 4.06 4.06 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 0.00 0.00 0.00 151 A 7.90 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.00 4.66 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.60 3.60 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.88 0.00 0.00 154 Y 7.48 4.81 0.00 2.99 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 0.00 155 E 9.28 3.83 0.00 2.01 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 2.39 2.31 0.00 156 D 8.28 4.44 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.08 4.41 0.00 1.81 1.59 0.92 0.75 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 0.00 158 A 7.64 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.