NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4173 8.3044 120.3281 54.6906 33.4798 174.3490 2 E 3.8211 8.3133 120.5581 55.2196 30.1554 174.7005 3 A 4.0964 9.2183 129.2613 52.5566 19.9083 177.4654 4 L 4.0296 8.5037 122.2889 55.9933 41.9864 177.9316 5 G 3.7626 9.2147 104.8163 45.8031 0.0000 172.6693 6 A 4.5128 7.4658 115.9602 50.9617 22.0485 176.5019 7 D 4.7010 8.7113 122.3955 53.4966 42.4980 175.6946 8 V 4.6112 8.4130 122.9400 61.3910 34.0513 174.8907 9 T 4.4443 7.8531 124.6837 61.8375 69.0909 174.6413 10 Q 3.9299 8.8363 126.0109 56.8214 28.9459 177.3598 11 G 4.0725 9.0335 109.7623 46.0166 0.0000 172.7013 12 L 5.0817 8.1246 120.1827 52.8941 46.0966 175.0045 13 E 5.1762 8.8168 119.0918 54.0646 34.6943 175.0959 14 K 4.1141 8.3020 122.4312 58.0420 32.2684 176.8516 15 G 4.0585 8.9782 115.5489 45.1738 0.0000 173.9871 16 S 4.3113 8.0402 116.4727 58.6515 64.1818 173.2060 17 L 5.1367 8.4122 123.2866 53.2530 43.0271 175.7902 18 I 4.7344 8.9181 117.0622 58.9488 41.7452 174.7070 19 T 4.2913 8.4958 119.6853 63.6959 69.6623 173.9489 20 C 4.7352 8.5486 127.0078 57.3021 31.6412 174.1528 21 A 4.5276 8.3162 134.7991 50.3397 16.1177 174.6303 22 D 5.2442 7.6446 119.3126 53.4008 42.3705 175.4222 23 N 5.0195 8.3744 115.4309 52.9453 37.5801 175.8762 24 T 3.9338 8.0156 111.0027 64.0240 69.3058 175.2887 25 G 3.9264 8.4604 109.9096 44.9310 0.0000 172.5229 26 A 4.7322 7.2835 122.1110 51.1009 20.3402 176.8170 27 R 4.4031 9.1788 122.4870 57.3299 32.3196 176.2243 28 E 5.1656 8.0489 118.7643 54.1801 33.0467 174.4916 29 L 5.2743 9.1147 125.7918 52.7495 45.7529 175.1443 30 K 4.9521 8.8180 124.3825 54.3390 34.5851 175.4519 31 V 3.9848 8.7108 128.5914 63.5012 32.0437 175.8804 32 I 4.3001 8.5141 127.5996 62.8085 39.4971 175.8644 33 S 4.6844 7.7716 114.9943 57.3542 68.0833 173.2671 34 V 4.6064 8.1768 121.1343 60.9932 33.6994 174.4969 35 H 4.2340 9.1769 128.8420 57.6969 30.0714 175.4408 36 G 3.8743 8.5093 113.2757 45.9869 0.0000 172.5499 37 Y 4.4400 7.7026 121.2488 56.3714 39.8318 174.3477 38 S 4.2202 7.1905 119.9138 56.6196 66.0609 172.6770 39 G 4.2375 7.8143 121.8061 44.5645 0.0000 174.8778 40 T 4.3426 8.3637 118.0979 60.0554 69.7899 171.8594 41 K 3.8309 8.5492 125.5012 58.4425 32.1549 176.7252 42 N 4.5835 9.0324 122.1890 53.5211 37.2411 174.5003 43 R 4.0650 7.8966 119.2125 55.9475 30.5655 175.5749 44 H 4.5009 8.7109 123.4423 54.6573 29.6143 173.3258 45 P 4.5180 0.0000 0.0000 63.2685 31.8535 175.1893 46 K 4.9816 7.8135 122.8267 55.0328 35.0807 175.3834 47 A 4.7617 8.8185 123.4182 50.5720 23.0411 175.4589 48 G 4.2792 9.0287 106.7028 44.3942 0.0000 171.2761 49 L 4.2465 8.6200 121.7691 57.0814 42.0869 177.7715 50 G 4.1215 9.1173 115.0110 45.1185 0.0000 173.0946 51 D 4.8030 7.9623 119.9318 53.6084 42.8510 175.3243 52 K 4.9085 8.6623 123.1817 55.1359 33.7862 175.1471 53 I 5.0238 8.5390 120.8079 59.3661 41.2120 174.6881 54 T 4.7323 8.8666 120.6622 63.1226 70.1374 174.1207 55 V 5.0524 9.2317 124.2640 61.5058 35.9462 173.5302 56 S 5.2035 8.7501 118.1454 56.3919 66.4891 173.1311 57 V 4.3113 8.2712 122.4377 62.9107 31.8027 176.4374 58 T 4.2123 8.6475 125.3317 65.1207 69.6414 175.6854 59 K 4.5503 8.9602 119.1633 54.1780 36.2444 177.6854 60 G 3.6257 8.4299 109.5185 45.1481 0.0000 172.4849 61 T 4.0485 8.0618 111.2659 60.8186 69.5344 173.3266 62 P 4.2066 0.0000 0.0000 66.3005 31.4037 178.4007 63 E 4.1072 8.0545 115.1495 59.7085 29.6642 178.8421 64 M 4.1853 7.7670 117.2325 56.9943 32.2606 177.2419 65 R 4.1264 7.5398 117.5057 57.8100 30.6614 177.5043 66 R 4.0265 8.6342 118.8084 56.5762 29.3861 176.8632 67 Q 4.1989 7.6459 117.5290 55.7233 30.2007 175.4883 68 V 4.3736 8.3114 122.6718 61.6372 32.7636 174.3202 69 L 4.9415 8.8604 127.6663 53.0523 46.2603 175.3219 70 E 5.0846 8.4877 117.9567 55.5436 32.2936 175.1850 71 A 4.9538 8.6229 122.5392 51.1206 23.8338 175.1024 72 V 4.5062 8.1616 118.3221 60.8663 34.7475 174.7820 73 V 3.9805 8.5445 128.3541 63.2390 31.7077 176.2505 74 V 3.8692 8.9440 129.4007 64.4197 33.0921 175.8512 75 R 4.0892 7.4310 117.2585 54.2773 34.8314 174.2573 76 Q 4.9268 7.9834 117.9117 55.1272 31.5265 175.8714 77 R 4.4008 9.1703 120.8886 58.6739 30.4337 177.7879 78 K 4.1760 7.8827 118.5087 55.6464 31.3993 175.2989 79 P 4.9162 0.0000 0.0000 62.9311 32.8286 175.0300 80 I 4.9137 8.5074 114.0789 59.2963 41.4970 173.8476 81 R 4.9384 9.1268 124.6597 55.0411 31.9832 175.4345 82 R 4.7403 8.7465 125.2350 54.0899 31.9942 175.6735 83 P 4.1641 0.0000 0.0000 65.9230 31.3946 177.0233 84 D 4.5643 8.0374 114.5416 53.3518 39.6691 176.5562 85 G 4.0560 8.6733 109.8284 45.8144 0.0000 174.6221 86 T 4.0767 7.6569 116.5388 63.8533 69.4929 173.9454 87 R 5.0299 8.4384 123.3552 54.8854 32.6410 175.8752 88 V 4.5086 8.7408 121.5433 61.0033 34.6817 174.4551 89 K 4.9901 8.3828 125.4825 55.3704 35.8325 175.4203 90 F 4.7279 8.9101 120.4130 55.6978 41.4743 176.6932 91 E 4.0026 9.0096 120.8527 58.9376 29.7077 175.2926 92 D 4.7973 7.7523 115.5854 52.4740 42.9735 173.6092 93 N 5.2359 8.7388 114.7294 51.7451 41.0455 174.1578 94 A 5.2967 8.9559 124.4295 50.4302 23.3227 174.6054 95 A 5.0459 9.1168 121.1216 50.1637 23.5912 175.1516 96 V 4.5837 8.2774 119.0863 60.6395 34.5266 175.1853 97 I 4.2290 8.4887 128.8522 61.8212 37.9378 175.3256 98 V 4.9020 8.5966 126.0336 61.4068 35.1895 175.1661 99 D 4.9385 8.1270 124.6882 52.0835 41.8595 176.4454 100 E 3.9374 8.8329 117.0286 60.1081 29.4827 177.5251 101 N 4.6502 8.2969 113.3603 52.9001 38.5622 175.1555 102 E 3.7872 7.9449 116.0255 57.1871 27.8162 173.7443 103 D 4.8676 8.2267 118.6720 51.4707 42.0225 174.3106 104 P 4.6762 0.0000 0.0000 62.8464 31.6769 176.5807 105 R 3.8754 8.6581 123.0789 58.7528 30.1804 176.7639 106 G 4.0019 7.6833 105.8243 44.7269 0.0000 172.8929 107 T 4.2954 8.5199 114.2730 64.5814 69.4574 175.4089 108 E 4.8348 8.7485 119.6323 54.3714 33.5981 175.0619 109 L 4.9066 8.4921 122.1141 53.1960 43.7586 175.8596 110 K 4.3604 8.3928 122.9709 55.9110 33.4903 177.8533 111 G 3.9998 8.9388 111.1984 44.0681 0.0000 170.8457 112 P 4.8304 0.0000 0.0000 62.8760 32.2935 175.6594 113 I 4.7525 8.4482 120.0156 59.3325 41.8241 174.6363 114 A 5.0455 8.0684 126.1903 51.3244 18.9078 179.1488 115 R 3.9620 9.1006 118.7688 59.3394 30.0539 179.1262 116 E 4.0225 8.2500 117.9514 59.1489 29.3383 179.2065 117 V 3.7840 7.9089 118.1845 65.6972 31.3270 177.8174 118 A 4.0498 7.5247 119.2136 55.2152 18.2627 179.2017 119 Q 4.0704 7.4001 114.0149 59.2983 28.9256 179.3186 120 R 3.9311 7.6831 116.6926 57.7038 31.0199 177.1001 121 F 4.7841 8.0480 121.7282 54.9907 39.5090 176.3361 122 G 3.6699 8.6663 112.5866 47.8633 0.0000 173.1087 123 S 4.8639 8.0618 118.0759 60.1541 62.5115 176.5469 124 V 3.5924 7.8508 121.6572 65.7092 31.3347 177.6763 125 A 4.1144 8.0524 120.8604 55.0439 18.3214 179.8161 126 S 4.5245 8.5234 110.3336 58.8610 62.8365 175.1949 127 A 4.6383 7.5845 121.8985 51.7905 20.4281 177.2016 128 A 4.2398 8.1324 120.0743 52.1407 19.1212 178.0174 129 T 4.1916 8.5570 119.3844 65.8575 69.3616 175.2846 130 M 4.8974 7.8209 119.5587 53.4332 36.1617 174.8926 131 I 4.6429 8.4734 122.7239 59.7286 40.4745 175.5508 132 V 4.0525 8.8943 127.2445 62.8416 31.5921 175.3692 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 M 8.30 4.42 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 E 8.31 3.82 0.00 1.93 1.74 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 2.24 2.33 0.00 3 A 9.22 4.10 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 4 L 8.50 4.03 0.00 1.65 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.21 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 6 A 7.47 4.51 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 7 D 8.71 4.70 0.00 2.62 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 8 V 8.41 4.61 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 0.84 0.00 0.00 0.96 0.00 0.00 9 T 7.85 4.44 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 10 Q 8.84 3.93 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 11 G 9.03 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 12 L 8.12 5.08 0.00 1.69 1.49 0.88 0.64 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 13 E 8.82 5.18 0.00 1.86 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 2.21 2.23 0.00 14 K 8.30 4.11 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.52 7.81 15 G 8.98 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 0.00 0.00 0.00 16 S 8.04 4.31 0.00 3.83 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 17 L 8.41 5.14 0.00 1.50 1.58 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.92 4.73 2.00 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 1.33 1.08 0.88 0.00 0.00 19 T 8.50 4.29 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 1.20 0.00 0.00 20 C 8.55 4.74 0.00 2.97 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 21 A 8.32 4.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.64 5.24 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.37 5.02 0.00 2.81 2.90 0.00 0.00 5.96 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 24 T 8.02 3.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 G 8.46 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 26 A 7.28 4.73 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 27 R 9.18 4.40 0.00 1.71 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.05 5.17 0.00 1.99 1.81 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 2.24 2.28 0.00 29 L 9.11 5.27 0.00 1.52 1.47 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.82 4.95 0.00 1.77 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.71 3.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 32 I 8.51 4.30 1.86 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 1.22 0.94 0.91 0.00 0.00 33 S 7.77 4.68 0.00 3.74 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 34 V 8.18 4.61 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 1.01 0.00 0.00 0.82 0.00 0.00 35 H 9.18 4.23 0.00 3.17 3.37 0.00 6.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.51 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 0.00 0.00 0.00 37 Y 7.70 4.44 0.00 3.10 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 38 S 7.19 4.22 0.00 3.63 3.42 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 39 G 7.81 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 0.00 0.00 0.00 40 T 8.36 4.34 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 41 K 8.55 3.83 0.00 1.75 1.76 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.03 4.58 0.00 2.95 3.03 0.00 0.00 7.09 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 43 R 7.90 4.07 0.00 1.80 2.08 0.00 3.38 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.71 4.50 0.00 3.30 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.52 0.00 2.10 2.40 0.00 3.71 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 2.09 2.04 0.00 46 K 7.81 4.98 0.00 1.64 1.72 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.03 1.14 7.81 47 A 8.82 4.76 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 48 G 9.03 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 0.00 0.00 0.00 0.00 49 L 8.62 4.25 0.00 1.59 1.64 0.82 1.51 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 50 G 9.12 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 0.00 0.00 0.00 51 D 7.96 4.80 0.00 2.77 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 52 K 8.66 4.91 0.00 1.93 1.71 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.45 7.81 53 I 8.54 5.02 1.96 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 1.18 0.51 0.88 0.00 0.00 54 T 8.87 4.73 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 1.27 0.00 0.00 55 V 9.23 5.05 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 1.12 0.00 0.00 0.90 0.00 0.00 56 S 8.75 5.20 0.00 3.89 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 57 V 8.27 4.31 2.23 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.65 4.21 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 1.27 0.00 0.00 59 K 8.96 4.55 0.00 1.72 1.63 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.50 7.81 60 G 8.43 3.63 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 0.00 0.00 0.00 61 T 8.06 4.05 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 1.24 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.19 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 63 E 8.05 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.77 4.19 0.00 2.06 2.19 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 2.74 2.71 0.00 65 R 7.54 4.13 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 66 R 8.63 4.03 0.00 1.98 2.10 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.65 4.20 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 68 V 8.31 4.37 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 0.80 0.00 0.00 0.92 0.00 0.00 69 L 8.86 4.94 0.00 1.55 1.50 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.49 5.08 0.00 2.03 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 2.31 2.28 0.00 71 A 8.62 4.95 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 72 V 8.16 4.51 1.69 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 0.63 0.00 0.00 -0.23 0.00 0.00 73 V 8.54 3.98 2.20 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 0.93 0.00 0.00 0.92 0.00 0.00 74 V 8.94 3.87 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 0.92 0.00 0.00 75 R 7.43 4.09 0.00 1.47 1.12 0.00 3.23 0.00 0.00 3.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.32 0.00 76 Q 7.98 4.93 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 77 R 9.17 4.40 0.00 1.85 2.07 0.00 3.15 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 78 K 7.88 4.18 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.56 7.81 79 P 0.00 4.92 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.51 4.91 2.03 0.00 0.00 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 1.44 0.98 1.00 0.00 0.00 81 R 9.13 4.94 0.00 1.86 1.83 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 82 R 8.75 4.74 0.00 1.89 1.82 0.00 3.22 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.16 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 84 D 8.04 4.56 0.00 2.78 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 85 G 8.67 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 0.00 0.00 0.00 86 T 7.66 4.08 4.35 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 1.19 0.00 0.00 87 R 8.44 5.03 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 88 V 8.74 4.51 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 0.74 0.00 0.00 0.90 0.00 0.00 89 K 8.38 4.99 0.00 1.98 1.71 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.91 4.73 0.00 3.30 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 91 E 9.01 4.00 0.00 1.97 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 2.31 2.26 0.00 92 D 7.75 4.80 0.00 2.67 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 93 N 8.74 5.24 0.00 2.62 2.72 0.00 0.00 6.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.96 5.30 1.11 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 95 A 9.12 5.05 1.14 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 96 V 8.28 4.58 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 0.97 0.00 0.00 0.91 0.00 0.00 97 I 8.49 4.23 1.83 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 1.07 0.57 0.90 0.00 0.00 98 V 8.60 4.90 1.91 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 0.68 0.00 0.00 0.80 0.00 0.00 99 D 8.13 4.94 0.00 2.96 2.80 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 0.00 0.00 0.00 100 E 8.83 3.94 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 101 N 8.30 4.65 0.00 2.90 2.85 0.00 0.00 7.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.94 3.79 0.00 2.28 2.20 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 2.27 2.32 0.00 103 D 8.23 4.87 0.00 2.88 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 0.00 104 P 0.00 4.68 0.00 2.15 2.03 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 105 R 8.66 3.88 0.00 1.77 1.97 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 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 0.00 107 T 8.52 4.30 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 0.00 108 E 8.75 4.83 0.00 1.85 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 2.21 2.24 0.00 109 L 8.49 4.91 0.00 1.51 1.56 0.95 0.92 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 0.00 110 K 8.39 4.36 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.37 7.81 111 G 8.94 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 0.00 112 P 0.00 4.83 0.00 2.28 2.15 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 113 I 8.45 4.75 1.90 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 1.13 0.83 0.92 0.00 0.00 114 A 8.07 5.05 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 0.00 115 R 9.10 3.96 0.00 2.02 2.26 0.00 2.80 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 116 E 8.25 4.02 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 117 V 7.91 3.78 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 1.28 0.00 0.00 1.04 0.00 0.00 118 A 7.52 4.05 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 0.00 119 Q 7.40 4.07 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.68 3.93 0.00 1.22 0.66 0.00 2.97 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 121 F 8.05 4.78 0.00 3.12 2.94 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 0.00 122 G 8.67 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.06 4.86 0.00 4.08 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 0.00 124 V 7.85 3.59 2.36 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 1.03 0.00 0.00 0.87 0.00 0.00 125 A 8.05 4.11 1.42 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 0.00 0.00 126 S 8.52 4.52 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.58 4.64 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.13 4.24 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.56 4.19 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 0.00 130 M 7.82 4.90 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 131 I 8.47 4.64 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.89 4.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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