NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9311 8.3549 109.7397 45.5020 0.0000 173.2296 2 S 4.5445 8.1130 118.5295 56.2995 64.9196 171.3495 3 S 4.4786 8.1575 115.6849 58.7993 66.2116 175.6672 4 G 4.2928 8.0260 106.1040 45.4985 0.0000 175.5631 5 S 4.5507 7.5189 113.8663 55.2610 63.8536 173.5735 6 S 3.9351 8.1876 116.6162 59.4802 62.8686 171.7601 7 G 4.0703 9.8294 119.6490 45.9632 0.0000 172.6787 8 H 4.8076 8.3946 120.1950 53.9368 32.7825 173.6515 9 K 4.2370 8.6161 124.2052 55.7724 32.8945 175.3734 10 P 4.3205 0.0000 0.0000 64.8595 32.5271 176.0481 11 W 5.3423 8.1651 118.1448 54.4657 32.3896 175.3050 12 R 5.2608 8.9086 117.6566 54.4693 32.6904 174.1568 13 A 5.1943 9.2341 122.5021 50.5249 20.8088 174.9081 14 E 4.9349 8.6906 117.2151 55.7470 32.4396 175.0021 15 Y 5.4964 9.1164 119.9937 57.2514 38.8854 175.4423 16 A 3.8077 8.8127 126.5232 52.2023 19.4691 177.2202 17 K 4.7141 8.3498 122.3851 56.2139 32.9854 176.2558 18 S 4.5037 7.2265 113.6664 58.1668 65.3843 175.5201 19 S 5.0456 8.3842 113.0644 57.4625 63.7189 175.9601 20 R 4.2056 8.1024 121.3692 58.5214 30.8374 177.7959 21 S 4.4526 7.6549 113.0217 58.5637 64.2533 173.6929 22 S 5.0797 8.3560 117.8150 56.6797 66.0574 173.6463 23 C 4.5296 9.1992 125.1750 59.4092 32.0616 174.2264 24 K 4.4008 8.4573 121.0952 57.8538 33.6186 178.6571 25 T 4.0552 8.3022 114.8933 66.3934 68.4634 175.0608 26 C 4.4041 7.9949 112.8395 57.3305 31.0260 173.1461 27 K 4.4800 8.0252 117.4584 58.1572 28.4389 174.3693 28 S 4.8907 7.6693 113.0140 56.4490 67.5457 174.0424 29 V 4.2457 8.2795 120.3869 62.8316 32.4067 176.1217 30 I 4.3880 8.2227 128.6979 59.1424 37.1948 174.0935 31 N 4.4777 8.5300 123.3666 52.9534 39.1404 174.8275 32 K 3.9640 8.2236 122.2468 57.9569 33.5327 176.1578 33 E 3.8521 9.2346 117.8615 57.2803 27.4046 174.1609 34 N 4.8541 7.5614 114.5078 51.1579 42.7206 173.3299 35 F 5.0924 8.4442 124.1265 57.6948 40.5849 174.5724 36 R 4.6752 8.4603 122.2525 54.2210 32.9252 174.6564 37 L 5.3089 9.2036 117.9560 53.0846 46.1449 176.2935 38 G 4.4093 8.9816 110.6172 44.1278 0.0000 172.3727 39 K 3.2884 8.2461 128.9508 54.7720 32.5009 175.3941 40 L 4.0392 8.4218 128.7689 54.3018 42.1923 177.3819 41 V 4.1393 7.9526 117.2857 59.1417 33.5424 175.7404 42 Q 4.0984 8.4653 124.0523 55.9606 29.1860 175.7175 43 S 4.8139 8.1857 115.7146 57.0248 66.6183 174.0472 44 T 4.1999 8.2556 110.3755 63.4654 69.4760 175.1189 45 H 4.4704 7.8574 118.3958 54.5436 29.6789 174.7444 46 F 4.5625 8.0779 116.0528 56.7115 37.2252 174.6554 47 D 4.3376 8.3217 121.2427 52.9155 43.7198 175.8019 48 G 3.8180 8.9621 114.9307 45.8315 0.0000 173.0879 49 I 3.5540 8.2384 123.4681 62.1489 37.5267 176.0190 50 M 4.2587 8.0758 123.9190 52.5904 31.6258 172.9854 51 P 3.8844 0.0000 0.0000 62.4137 32.1041 176.6561 52 M 4.0878 8.0828 126.0594 55.0355 31.9748 175.3585 53 W 5.1389 8.3550 124.4352 56.6601 30.6347 175.2439 54 N 5.1708 9.6142 121.7486 51.8532 43.1688 173.7493 55 H 4.2413 9.0697 119.6602 56.4675 29.3941 176.2596 56 A 3.5049 8.0716 122.9843 54.5452 18.0353 179.4363 57 S 4.2904 7.6546 110.1565 59.8427 62.6811 175.5055 58 C 4.2787 8.0467 118.9815 61.9710 28.1841 175.4259 59 I 3.9896 7.3309 120.8707 63.8496 37.0999 177.7406 60 L 3.0409 6.8343 117.0396 57.5080 41.4011 179.6172 61 K 4.1303 7.3402 116.4738 59.4747 32.7684 177.4053 62 K 4.4097 8.1793 119.1591 55.7691 33.5563 175.5564 63 T 4.7270 7.9039 114.7524 62.5427 72.2339 173.7306 64 K 3.8843 8.4781 119.7145 58.4320 29.7178 174.9265 65 Q 4.7800 8.1095 116.5393 57.1747 31.0247 176.8575 66 I 4.6072 7.6675 116.2838 59.3297 39.8615 175.6165 67 K 4.1354 8.9619 126.2542 58.9013 32.6281 176.5398 68 S 4.6523 7.5819 110.4545 56.9537 65.3048 175.2073 69 V 3.6792 8.4650 117.7005 64.4972 31.5109 178.6016 70 D 4.4664 7.7514 119.2351 57.2341 40.5539 177.5547 71 D 4.5235 8.4657 119.1375 56.2839 41.1371 176.1978 72 V 4.4440 7.4689 119.6106 61.9101 32.4120 174.7521 73 E 4.3958 9.1910 128.4575 56.0531 30.8202 176.6182 74 G 4.0830 8.7896 111.2897 45.8586 0.0000 175.1864 75 I 3.6042 7.5584 121.1046 63.2827 38.1077 177.2533 76 E 4.3516 7.9782 115.8803 57.3136 29.8850 177.2617 77 S 4.2598 7.8939 113.7405 59.2771 62.8728 174.1709 78 L 3.9889 6.9607 118.9680 54.1164 42.1927 177.5298 79 R 4.1946 8.5281 119.8871 55.6570 31.9308 177.5272 80 W 4.4581 8.9455 132.0840 61.0729 30.4670 177.8673 81 E 3.0383 8.2749 115.7973 59.5284 28.9404 178.6221 82 D 4.5248 7.7955 118.8414 57.3772 40.8364 178.3806 83 Q 3.9437 8.3563 118.7778 59.3435 28.6699 179.5091 84 Q 4.0147 8.0011 118.9095 58.7576 28.4604 178.6819 85 K 4.1553 7.7739 118.6344 59.7563 32.2759 178.7590 86 I 4.0041 7.7584 120.4054 63.5990 37.2771 177.9522 87 R 3.9553 8.0510 116.1091 59.5171 29.3586 178.5470 88 K 4.2508 8.5826 114.9289 57.1104 32.1067 177.0273 89 Y 4.5263 8.3388 120.0048 59.1237 40.3380 177.5775 90 V 3.5813 7.7739 111.7477 63.9354 31.8370 178.1321 91 E 4.0646 7.9436 117.7628 58.4458 29.7296 177.5479 92 S 4.3105 7.2808 111.1399 56.6021 63.4903 173.2882 93 G 3.4813 8.4412 112.0535 45.4028 0.0000 173.2430 94 A 3.4154 8.1294 128.5869 53.3919 18.6575 178.2311 95 G 4.1505 9.0733 106.1433 45.7953 0.0000 172.3192 96 S 4.7025 8.0716 112.7433 56.1260 66.0769 173.1617 97 N 4.1979 9.3598 114.9010 57.4997 36.2190 174.9986 98 T 3.4291 7.4656 108.8677 64.8959 66.2202 175.2332 99 S 4.5630 7.9761 117.2798 56.7289 61.7599 171.8314 100 T 4.6846 7.9561 121.0592 61.2235 70.8366 174.0245 101 S 4.5600 8.1885 118.4599 56.6134 65.5908 174.0297 102 T 4.0000 8.5998 122.9280 63.6221 67.5185 175.3103 103 G 3.7562 8.2610 117.5592 46.4492 0.0000 170.4393 104 T 4.6102 8.0576 112.0695 59.5993 69.8654 175.0285 105 S 4.3452 8.4101 120.5698 58.4490 63.6286 173.4983 106 T 4.3558 8.1590 111.4859 60.6179 69.6635 175.0431 107 S 4.3592 8.2053 119.1263 56.9832 63.4748 173.5713 108 S 3.5381 8.5116 126.8585 59.2260 60.7339 173.0154 109 S 4.1702 8.1805 114.8426 59.9357 61.7991 174.7125 110 G 4.5863 7.5844 123.3038 46.6019 0.0000 170.0633 111 P 4.4690 0.0000 0.0000 62.4808 31.9972 176.7315 112 S 3.8083 7.4543 113.8625 58.4276 62.6566 174.1722 113 S 4.1103 8.5877 120.9109 59.8623 62.3219 173.8685 114 G 4.0262 8.8224 116.0661 45.7645 0.0000 172.5270 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 3.93 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 0.00 0.00 0.00 2 S 8.11 4.54 0.00 3.95 3.79 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 3 S 8.16 4.48 0.00 3.78 3.72 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 4 G 8.03 4.29 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 0.00 5 S 7.52 4.55 0.00 3.80 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 6 S 8.19 3.94 0.00 3.83 3.81 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 7 G 9.83 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 8 H 8.39 4.81 0.00 3.03 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.62 4.24 0.00 1.79 2.12 0.00 2.03 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.57 1.47 7.81 10 P 0.00 4.32 0.00 1.96 2.26 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 11 W 8.17 5.34 0.00 3.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.91 5.26 0.00 1.97 2.03 0.00 2.50 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 13 A 9.23 5.19 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 14 E 8.69 4.93 0.00 2.08 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 0.00 2.42 2.36 0.00 15 Y 9.12 5.50 0.00 2.79 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 16 A 8.81 3.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.35 4.71 0.00 1.64 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.59 7.81 18 S 7.23 4.50 0.00 3.76 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 19 S 8.38 5.05 0.00 3.80 3.81 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 20 R 8.10 4.21 0.00 1.76 1.96 0.00 3.36 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 1.57 1.57 0.00 21 S 7.65 4.45 0.00 3.46 3.58 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 22 S 8.36 5.08 0.00 3.72 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 23 C 9.20 4.53 0.00 2.79 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 24 K 8.46 4.40 0.00 1.95 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 25 T 8.30 4.06 4.28 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 1.29 0.00 0.00 26 C 7.99 4.40 0.00 3.07 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 27 K 8.03 4.48 0.00 1.95 1.99 0.00 1.77 0.00 0.00 2.40 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.36 7.81 28 S 7.67 4.89 0.00 3.80 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 29 V 8.28 4.25 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 0.71 0.00 0.00 0.92 0.00 0.00 30 I 8.22 4.39 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.44 0.78 0.00 0.00 31 N 8.53 4.48 0.00 2.56 2.73 0.00 0.00 7.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.22 3.96 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 E 9.23 3.85 0.00 2.06 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 2.23 2.25 0.00 34 N 7.56 4.85 0.00 2.71 2.57 0.00 0.00 6.94 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 35 F 8.44 5.09 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.46 4.68 0.00 1.98 1.83 0.00 2.73 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 37 L 9.20 5.31 0.00 1.77 1.85 0.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.98 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 0.00 0.00 0.00 0.00 39 K 8.25 3.29 0.00 0.79 1.20 0.00 1.21 0.00 0.00 1.56 0.00 0.00 2.56 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.89 0.21 7.81 40 L 8.42 4.04 0.00 1.39 1.44 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.95 4.14 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 0.59 0.00 0.00 0.79 0.00 0.00 42 Q 8.47 4.10 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 43 S 8.19 4.81 0.00 3.76 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 44 T 8.26 4.20 4.16 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 0.00 0.00 1.18 0.00 0.00 45 H 7.86 4.47 0.00 2.98 2.98 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.08 4.56 0.00 3.17 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 47 D 8.32 4.34 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.96 3.82 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 0.00 0.00 0.00 49 I 8.24 3.55 1.80 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 1.33 0.52 0.78 0.00 0.00 50 M 8.08 4.26 0.00 1.87 1.91 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 2.44 2.52 0.00 51 P 0.00 3.88 0.00 0.75 1.59 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 52 M 8.08 4.09 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 53 W 8.35 5.14 0.00 3.27 2.99 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 54 N 9.61 5.17 0.00 2.73 2.72 0.00 0.00 6.72 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 9.07 4.24 0.00 3.08 3.15 0.00 5.83 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 56 A 8.07 3.50 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.65 4.29 0.00 3.77 3.74 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 58 C 8.05 4.28 0.00 3.15 2.98 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 59 I 7.33 3.99 1.56 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.04 0.47 0.00 0.00 60 L 6.83 3.04 0.00 1.39 1.42 0.82 0.20 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 61 K 7.34 4.13 0.00 1.97 2.02 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.45 7.81 62 K 8.18 4.41 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.62 7.81 63 T 7.90 4.73 4.28 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 1.21 0.00 0.00 64 K 8.48 3.88 0.00 1.91 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.46 7.81 65 Q 8.11 4.78 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 66 I 7.67 4.61 1.96 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 0.87 0.00 0.00 67 K 8.96 4.14 0.00 1.79 2.05 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.40 7.81 68 S 7.58 4.65 0.00 3.87 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 69 V 8.47 3.68 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 0.83 0.00 0.00 0.95 0.00 0.00 70 D 7.75 4.47 0.00 2.63 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 71 D 8.47 4.52 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.47 4.44 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 0.86 0.00 0.00 1.04 0.00 0.00 73 E 9.19 4.40 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 74 G 8.79 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 0.00 0.00 0.00 75 I 7.56 3.60 1.89 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 1.43 1.25 0.97 0.00 0.00 76 E 7.98 4.35 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 77 S 7.89 4.26 0.00 3.75 3.90 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 78 L 6.96 3.99 0.00 1.41 1.15 0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.53 4.19 0.00 2.17 1.98 0.00 3.48 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 80 W 8.95 4.46 0.00 3.36 3.34 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 81 E 8.27 3.04 0.00 1.87 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 82 D 7.80 4.52 0.00 2.79 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 0.00 0.00 0.00 0.00 83 Q 8.36 3.94 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 84 Q 8.00 4.01 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.08 1.41 0.00 85 K 7.77 4.16 0.00 2.00 1.89 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.71 7.81 86 I 7.76 4.00 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.94 0.94 0.00 0.00 87 R 8.05 3.96 0.00 1.95 2.23 0.00 2.79 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 88 K 8.58 4.25 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.43 7.81 89 Y 8.34 4.53 0.00 2.87 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.77 3.58 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 0.91 0.00 0.00 1.04 0.00 0.00 91 E 7.94 4.06 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 92 S 7.28 4.31 0.00 3.80 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 93 G 8.44 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 94 A 8.13 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.07 4.15 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 0.00 0.00 0.00 96 S 8.07 4.70 0.00 3.97 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 97 N 9.36 4.20 0.00 2.81 2.87 0.00 0.00 7.15 7.54 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 98 T 7.47 3.43 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 1.21 0.00 0.00 99 S 7.98 4.56 0.00 3.87 3.82 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 0.00 100 T 7.96 4.68 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 1.22 0.00 0.00 101 S 8.19 4.56 0.00 3.77 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 0.00 102 T 8.60 4.00 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 1.22 0.00 0.00 103 G 8.26 3.76 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 0.00 0.00 0.00 104 T 8.06 4.61 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 105 S 8.41 4.35 0.00 4.02 3.87 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 0.00 106 T 8.16 4.36 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 1.21 0.00 0.00 107 S 8.21 4.36 0.00 3.94 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 0.00 108 S 8.51 3.54 0.00 3.92 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 0.00 109 S 8.18 4.17 0.00 4.00 3.90 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 0.00 110 G 7.58 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.47 0.00 2.18 2.16 0.00 4.00 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 1.98 1.94 0.00 112 S 7.45 3.81 0.00 3.95 3.94 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 0.00 113 S 8.59 4.11 0.00 3.85 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 0.00 114 G 8.82 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 0.00 0.00 0.00 0.00