NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1469 8.0249 121.4491 60.2594 38.2350 175.2483 3 P 4.4943 0.0000 0.0000 61.8587 32.0113 170.7077 4 V 4.6296 7.9354 121.5287 60.8437 34.9609 174.8898 5 E 4.2848 8.7457 124.2794 55.8203 30.8621 176.1234 6 Q 4.0546 8.5914 122.5153 56.4608 29.0955 175.9465 7 R 4.5396 9.5467 123.7110 56.2358 30.9295 175.3584 8 T 4.5489 7.6440 110.9419 61.7654 70.2068 171.7289 9 H 4.1029 8.9748 118.3619 56.6789 26.4242 177.6106 10 K 4.0623 8.3555 119.3733 59.0605 32.1931 178.2035 11 L 4.5225 7.7412 116.1279 54.4191 41.8661 176.5669 12 T 3.6592 7.2474 116.4555 63.4532 68.8558 173.9715 13 S 4.0991 8.5780 120.3883 58.7839 62.6182 175.1862 14 R 4.6667 8.5104 128.4186 58.2950 29.9751 178.2737 15 I 4.0709 7.6824 118.4379 62.9999 37.6830 177.0149 16 L 4.5001 7.9517 118.0340 54.9328 42.3604 177.1934 17 V 4.2352 9.0000 115.7466 63.0005 33.6741 175.3593 18 G 4.4483 6.5908 108.2968 44.4898 0.0000 170.9369 19 K 4.9176 8.3436 120.0386 53.6487 34.4996 174.4720 20 P 4.7148 0.0000 0.0000 62.5952 31.5482 176.3926 21 I 4.4600 8.5976 116.4198 60.6115 39.4066 175.4051 22 L 4.4323 7.3721 123.8549 54.3604 45.8735 173.4854 23 I 5.0933 8.2959 126.4084 59.6949 41.4812 174.5724 24 K 4.9217 9.1013 125.4328 54.6530 35.8947 174.6848 25 E 3.8919 8.8099 119.5175 57.8056 29.5691 176.5400 26 G 3.9820 9.4354 113.2006 46.0454 0.0000 171.3649 27 Y 5.3236 7.8798 119.2471 56.3760 42.6354 173.3847 28 A 4.9024 7.8176 125.7646 50.6820 23.5277 174.8418 29 E 4.8950 9.1171 118.9173 54.5278 33.8698 175.1983 30 V 4.8707 8.6103 123.2203 61.0006 35.2637 173.8538 31 E 5.2526 9.0993 124.9909 54.6478 32.9408 174.5998 32 L 4.9076 9.2117 122.8026 53.7590 45.9337 174.4973 33 E 4.7967 8.8373 126.2685 55.1985 30.3955 176.1707 34 T 4.2418 8.6737 116.5069 61.5367 68.3830 173.8664 35 I 4.5178 7.9164 116.3714 58.6931 40.9011 175.6823 36 D 4.5776 8.7993 121.6683 57.4943 41.3182 177.7505 37 E 4.1750 7.1562 119.6937 55.5267 28.1999 176.6510 *39 K 4.4034 7.6643 116.2941 57.1067 33.8894 176.0013 40 V 4.3401 8.5164 112.1310 61.3433 33.3731 174.8480 41 D 4.6579 7.4424 118.3496 52.0807 41.8193 175.4908 42 E 4.1220 8.5916 116.1934 58.4770 29.7274 177.7805 43 K 4.0832 8.1160 117.6286 57.1042 32.6078 177.5500 44 G 3.8639 8.2293 107.8586 45.1409 0.0000 172.5999 45 L 4.4455 8.1102 122.9752 54.7881 42.9666 176.2625 46 V 4.2687 8.7987 127.7159 62.4330 32.5530 175.2162 47 H 4.4145 9.2210 127.9847 56.2028 30.5077 176.3752 48 G 3.9092 8.8683 112.0104 47.3577 0.0000 175.9173 49 G 3.4816 7.5271 107.7684 47.7078 0.0000 175.7486 50 F 4.2795 8.1219 120.0776 60.6788 39.0007 177.9667 51 T 3.9948 8.1878 115.0287 66.6325 68.3615 176.3278 52 F 4.2480 8.9597 123.1259 61.1590 39.4246 177.3654 53 G 3.7738 8.5233 105.5521 47.7370 0.0000 175.3057 54 L 4.1363 8.3402 122.9584 57.9330 42.1630 178.9317 55 A 3.6929 7.9352 120.6086 54.8999 18.0019 178.9489 56 D 3.6489 7.7705 115.8222 57.5647 41.3540 177.6300 57 Y 4.3419 7.8190 118.2534 60.6870 39.0709 177.5038 58 A 3.7992 7.8581 121.4770 54.7016 18.1286 180.3104 59 A 3.8337 7.3340 117.6873 52.4266 18.7180 179.3005 *61 L 4.0427 8.0395 122.2429 56.0838 43.7094 179.3295 62 A 3.9067 7.6874 120.8658 54.4599 18.6161 178.8298 63 V 3.7073 7.4957 114.8494 64.5469 32.3256 176.0539 64 N 4.0975 7.1183 114.8884 54.8894 37.7870 173.2424 65 E 4.7077 7.5381 117.4420 53.5572 32.7547 173.8272 66 P 4.4632 0.0000 0.0000 65.4834 31.3824 177.2091 67 T 4.4028 7.8393 104.3726 61.4860 68.9723 174.8799 68 V 4.2445 7.6889 122.6122 62.5122 32.0697 175.8186 69 V 4.6766 8.7305 121.4833 60.2189 35.4653 173.3550 70 L 4.8035 8.7117 124.0130 54.3995 42.4108 176.0191 71 G 4.2282 9.3290 114.0957 48.0350 0.0000 173.6611 72 K 4.9395 8.0548 119.2902 55.1807 35.8996 174.5356 73 A 5.0955 8.3085 124.5751 50.7327 22.5359 175.3956 74 E 4.6846 8.8638 119.7252 54.6809 32.9123 175.6193 75 V 4.9583 8.4361 116.3223 59.6470 36.3585 174.9619 76 R 4.7059 8.7368 121.4075 54.5274 33.6523 174.5042 77 F 4.8933 9.2279 123.0404 56.7649 39.2879 175.6144 78 T 4.4319 8.6570 115.0067 62.8261 70.0349 175.6797 79 K 4.7066 7.8406 119.5061 53.5629 36.2195 173.9705 80 P 4.5484 0.0000 0.0000 62.9959 32.3958 175.4733 81 V 4.5801 8.4357 121.2569 61.1572 34.1459 173.9922 82 K 5.0590 9.3343 128.7961 54.0729 35.0314 175.5368 83 V 3.6755 8.3680 126.4136 64.8708 31.7782 175.9548 84 G 4.1094 8.5576 114.9024 45.4730 0.0000 173.8826 85 D 4.5684 8.3310 120.1241 54.2162 42.1261 175.2315 86 K 4.9186 8.5956 123.1776 54.7767 34.0283 175.1338 87 L 5.1539 9.3493 127.6210 52.9827 45.4243 175.6461 88 V 4.8018 8.9032 121.3964 61.2326 34.7469 173.8961 89 A 5.0361 9.1846 130.6473 50.5498 21.1030 175.6584 90 K 4.7464 9.1749 122.1409 54.5300 35.0095 175.0121 91 A 5.0866 8.3564 127.7143 49.7881 21.7356 174.8827 92 K 5.1068 8.8151 123.0536 54.3653 36.0452 175.3770 93 I 4.2891 8.5680 128.8654 61.6476 36.9041 175.8856 94 I 4.3622 8.9243 120.7742 61.1456 39.2732 175.8641 95 E 4.5479 7.8501 122.9136 55.1651 33.8792 173.3059 96 D 4.9257 8.8381 125.0054 52.0411 42.5282 176.7282 97 L 4.7625 8.5510 131.2404 54.0918 43.3547 179.1969 98 G 4.0120 8.2443 116.1602 46.6461 0.0000 176.9442 99 K 4.1387 9.0587 128.3929 57.9406 33.2493 175.8529 100 K 4.7737 7.8188 122.1586 54.5173 34.4984 174.9863 101 K 4.9483 8.9592 126.0136 54.6469 36.1024 174.9933 102 I 4.4159 8.5950 125.9664 59.6597 39.1147 174.7338 103 V 4.7214 8.7294 127.6547 60.9566 34.3168 173.7373 104 E 5.0013 8.9654 128.8924 54.9627 31.6319 174.7552 105 V 4.9130 8.9912 125.5676 61.1052 35.4731 174.1189 106 K 4.8461 8.7857 125.5921 54.5543 36.0829 175.0848 107 V 4.6667 8.5730 124.9748 61.4388 33.5777 174.1037 108 Y 5.2044 9.2177 125.2463 56.2907 41.7216 175.0166 109 R 4.7478 8.8144 122.3048 54.5793 32.3224 177.0524 110 E 3.6875 9.0057 129.6633 57.7957 28.1666 177.3206 111 E 4.4703 9.1589 128.7225 57.6429 30.4486 175.7589 112 E 4.2923 8.1028 119.8729 55.6431 30.3413 175.8179 113 V 4.0060 8.2018 122.7042 62.3091 32.5231 175.8210 114 V 4.3745 8.5946 119.8306 61.6739 34.1800 175.3002 115 L 5.0493 7.4047 121.4317 53.5470 45.6307 173.9627 116 E 5.0805 8.8424 122.6013 54.9367 33.2645 174.4333 117 G 4.3705 8.9396 107.7412 45.8050 0.0000 171.8043 118 K 5.1292 8.5277 119.6954 54.3813 34.9936 175.5262 119 F 5.0596 9.5617 123.8178 55.8868 41.9868 174.0421 120 Y 4.7396 9.5117 122.9619 57.0735 38.9515 174.4539 121 C 5.2573 8.9081 123.0501 58.1361 31.5240 172.8158 122 Y 5.1271 8.7466 119.0006 56.2740 41.2467 174.7037 123 V 4.4041 8.8994 125.2601 61.7664 32.1541 175.4704 124 L 4.5064 8.0474 127.1338 53.6241 42.5493 177.0279 125 E 4.0158 8.9448 122.1141 58.5285 29.7834 176.4850 126 K 4.7026 7.5155 116.3887 53.9141 35.8602 174.5260 127 H 4.2783 8.5865 121.0681 55.7474 30.2429 176.2494 128 V 3.5649 8.2383 125.5314 64.7181 30.9793 176.5230 129 L 4.4454 8.0708 118.4124 54.4793 41.7031 176.1592 130 D 4.8559 8.2544 125.2540 54.9330 41.2129 173.9314 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 2 I 8.02 4.15 1.87 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 1.41 1.06 0.91 0.00 0.00 3 P 0.00 4.49 0.00 2.01 1.98 0.00 3.61 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 2.02 2.14 0.00 4 V 7.94 4.63 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 0.79 0.00 0.00 0.96 0.00 0.00 5 E 8.75 4.28 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 6 Q 8.59 4.05 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 7 R 9.55 4.54 0.00 2.09 1.92 0.00 3.19 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 8 T 7.64 4.55 4.34 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 1.26 0.00 0.00 9 H 8.97 4.10 0.00 3.62 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.36 4.06 0.00 1.78 1.91 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 11 L 7.74 4.52 0.00 1.61 1.67 0.92 0.86 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 12 T 7.25 3.66 3.64 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 0.40 0.00 0.00 13 S 8.58 4.10 0.00 3.84 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 14 R 8.51 4.67 0.00 1.84 2.01 0.00 3.51 0.00 0.00 4.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 15 I 7.68 4.07 1.87 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 1.64 0.77 0.90 0.00 0.00 16 L 7.95 4.50 0.00 1.68 1.87 0.98 0.66 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 17 V 9.00 4.24 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 0.76 0.00 0.00 0.92 0.00 0.00 18 G 6.59 4.45 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 0.00 19 K 8.34 4.92 0.00 1.70 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.53 7.81 20 P 0.00 4.71 0.00 1.85 1.76 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.76 0.00 21 I 8.60 4.46 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 1.20 0.63 1.02 0.00 0.00 22 L 7.37 4.43 0.00 1.71 1.50 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.30 5.09 1.99 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 1.27 0.92 0.86 0.00 0.00 24 K 9.10 4.92 0.00 1.88 1.91 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.45 7.81 25 E 8.81 3.89 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 26 G 9.44 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 27 Y 7.88 5.32 0.00 3.05 2.71 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 28 A 7.82 4.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.12 4.90 0.00 1.77 1.72 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 2.05 2.05 0.00 30 V 8.61 4.87 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 0.98 0.00 0.00 0.51 0.00 0.00 31 E 9.10 5.25 0.00 2.06 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 2.30 2.22 0.00 32 L 9.21 4.91 0.00 1.74 1.54 0.99 1.23 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 33 E 8.84 4.80 0.00 1.89 1.88 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 2.27 2.24 0.00 34 T 8.67 4.24 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 1.24 0.00 0.00 35 I 7.92 4.52 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.87 0.00 0.00 36 D 8.80 4.58 0.00 2.63 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 37 E 7.16 4.18 0.00 1.94 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 2.32 2.27 0.00 *39 K 7.66 4.40 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.48 7.81 40 V 8.52 4.34 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 0.84 0.00 0.00 1.02 0.00 0.00 41 D 7.44 4.66 0.00 2.81 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 42 E 8.59 4.12 0.00 2.10 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 2.28 2.33 0.00 43 K 8.12 4.08 0.00 1.91 1.90 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.50 7.81 44 G 8.23 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.11 4.45 0.00 1.83 1.83 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.80 4.27 2.27 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 0.89 0.00 0.00 0.95 0.00 0.00 47 H 9.22 4.41 0.00 3.47 3.54 0.00 5.93 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 48 G 8.87 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 49 G 7.53 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.12 4.28 0.00 3.34 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 51 T 8.19 3.99 4.66 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 1.28 0.00 0.00 52 F 8.96 4.25 0.00 3.38 3.33 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 53 G 8.52 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 54 L 8.34 4.14 0.00 1.96 1.90 1.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.94 3.69 1.08 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 0.00 0.00 56 D 7.77 3.65 0.00 2.23 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 57 Y 7.82 4.34 0.00 2.84 3.06 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 58 A 7.86 3.80 1.09 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 0.00 0.00 59 A 7.33 3.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 L 8.04 4.04 0.00 1.55 1.56 0.38 0.78 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 62 A 7.69 3.91 1.23 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 0.00 0.00 63 V 7.50 3.71 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 0.75 0.00 0.00 0.92 0.00 0.00 64 N 7.12 4.10 0.00 3.08 2.77 0.00 0.00 7.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.54 4.71 0.00 2.05 1.76 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 2.27 2.36 0.00 66 P 0.00 4.46 0.00 2.11 2.18 0.00 3.80 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 67 T 7.84 4.40 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 1.28 0.00 0.00 68 V 7.69 4.24 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 0.77 0.00 0.00 0.95 0.00 0.00 69 V 8.73 4.68 2.14 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 0.91 0.00 0.00 1.01 0.00 0.00 70 L 8.71 4.80 0.00 1.81 1.78 1.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.33 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 0.00 0.00 0.00 0.00 72 K 8.05 4.94 0.00 1.79 1.51 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.34 7.81 73 A 8.31 5.10 0.98 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 74 E 8.86 4.68 0.00 1.93 1.82 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 2.18 2.25 0.00 75 V 8.44 4.96 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 0.66 0.00 0.00 1.05 0.00 0.00 76 R 8.74 4.71 0.00 1.68 1.80 0.00 3.37 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 77 F 9.23 4.89 0.00 2.90 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 78 T 8.66 4.43 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 1.20 0.00 0.00 79 K 7.84 4.71 0.00 1.73 1.72 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.51 7.81 80 P 0.00 4.55 0.00 2.10 2.08 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 81 V 8.44 4.58 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 1.01 0.00 0.00 1.02 0.00 0.00 82 K 9.33 5.06 0.00 1.83 1.63 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 83 V 8.37 3.68 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 0.80 0.00 0.00 0.94 0.00 0.00 84 G 8.56 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 85 D 8.33 4.57 0.00 2.69 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 86 K 8.60 4.92 0.00 1.98 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.58 7.81 87 L 9.35 5.15 0.00 1.61 1.56 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.90 4.80 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 0.81 0.00 0.00 0.95 0.00 0.00 89 A 9.18 5.04 1.12 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 90 K 9.17 4.75 0.00 1.88 1.82 0.00 1.45 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.46 7.81 91 A 8.36 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.82 5.11 0.00 2.11 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.68 7.81 93 I 8.57 4.29 1.86 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 1.23 0.61 0.90 0.00 0.00 94 I 8.92 4.36 1.84 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 1.26 0.57 0.96 0.00 0.00 95 E 7.85 4.55 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 96 D 8.84 4.93 0.00 2.64 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 97 L 8.55 4.76 0.00 1.81 1.61 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.24 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 0.00 0.00 0.00 0.00 99 K 9.06 4.14 0.00 2.16 2.14 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.46 7.81 100 K 7.82 4.77 0.00 1.83 1.65 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 0.57 7.81 101 K 8.96 4.95 0.00 1.51 1.56 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.27 1.48 7.81 102 I 8.59 4.42 1.71 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 0.71 0.48 0.51 0.00 0.00 103 V 8.73 4.72 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 0.83 0.00 0.00 0.85 0.00 0.00 104 E 8.97 5.00 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 105 V 8.99 4.91 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 0.78 0.00 0.00 0.49 0.00 0.00 106 K 8.79 4.85 0.00 1.74 1.10 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.33 7.81 107 V 8.57 4.67 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 0.99 0.00 0.00 0.85 0.00 0.00 108 Y 9.22 5.20 0.00 2.92 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 0.00 109 R 8.81 4.75 0.00 1.87 1.83 0.00 3.37 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 110 E 9.01 3.69 0.00 2.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 111 E 9.16 4.47 0.00 1.99 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 0.00 2.26 2.27 0.00 112 E 8.10 4.29 0.00 2.11 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 2.29 0.00 113 V 8.20 4.01 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 0.63 0.00 0.00 0.62 0.00 0.00 114 V 8.59 4.37 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 0.69 0.00 0.00 1.00 0.00 0.00 115 L 7.40 5.05 0.00 1.50 1.31 0.45 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.84 5.08 0.00 1.99 1.87 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 2.11 2.20 0.00 117 G 8.94 4.37 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 0.00 118 K 8.53 5.13 0.00 1.74 1.45 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 119 F 9.56 5.06 0.00 2.84 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 0.00 120 Y 9.51 4.74 0.00 3.00 2.86 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 0.00 0.00 0.00 121 C 8.91 5.26 0.00 2.75 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 0.00 122 Y 8.75 5.13 0.00 2.94 2.86 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 0.00 0.00 0.00 123 V 8.90 4.40 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 0.78 0.00 0.00 0.95 0.00 0.00 124 L 8.05 4.51 0.00 1.84 1.59 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.94 4.02 0.00 1.92 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 2.38 0.00 126 K 7.52 4.70 0.00 1.70 1.65 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.57 7.81 127 H 8.59 4.28 0.00 3.22 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.24 3.56 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 0.70 0.00 0.00 0.93 0.00 0.00 129 L 8.07 4.45 0.00 1.76 1.75 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.25 4.86 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.