NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0715 8.2548 109.1184 45.7115 0.0000 175.2836 17 I 3.6045 7.2443 119.8298 63.1833 37.3714 175.5214 18 T 3.8732 7.8226 116.4298 63.1930 70.1023 174.2152 19 G 3.4263 7.5380 113.4630 45.0697 0.0000 170.9578 20 T 4.7204 7.5079 117.7378 61.5096 70.6590 174.2689 21 W 5.1067 8.8059 125.1644 55.0484 33.8007 173.8392 22 Y 6.0385 9.7456 120.0827 55.5205 41.5095 175.1487 23 N 6.0474 8.9523 120.6918 50.4047 40.3390 175.2220 24 Q 4.2028 8.7096 115.5498 58.2198 28.7230 176.6476 25 L 4.3049 8.4081 118.1036 54.9132 42.1352 177.4790 26 G 4.0077 8.2818 107.4881 45.0706 0.0000 173.9468 27 S 4.6728 8.0494 115.5201 58.4979 64.8763 173.0396 28 T 4.6226 8.6979 118.5537 61.8234 71.3421 172.9606 29 F 4.8416 9.3094 129.9159 56.5623 41.5124 174.2454 30 I 4.6668 8.5000 128.9971 59.4394 39.1211 175.3741 31 V 4.7693 8.0046 126.6685 59.7806 35.0734 174.4423 32 T 4.6972 8.8559 112.8753 59.7884 71.6264 172.7585 33 A 4.7067 8.3674 127.7926 50.4330 19.5025 177.5255 34 G 3.8711 9.6955 111.1458 45.1732 0.0000 173.7543 35 A 4.3134 8.4120 122.4033 53.7795 18.7174 178.9044 36 D 4.3114 8.0137 115.5396 54.8264 39.9935 177.8876 37 G 3.3103 8.0046 107.5114 44.5058 0.0000 172.7203 38 A 4.7486 8.1114 121.8586 51.4621 20.2386 176.7139 39 L 5.2422 8.8907 121.9325 53.1795 44.4379 175.8926 40 T 4.9925 9.4636 113.4193 59.3801 72.4952 174.4779 41 G 3.8715 7.2788 109.0221 46.7001 0.0000 170.9759 42 T 5.0883 8.4255 116.1047 60.7462 71.4195 173.2589 43 Y 5.0885 9.2169 128.9443 55.7448 42.3738 173.6234 44 E 5.1917 8.8197 126.9493 54.5720 32.3595 174.4916 45 S 4.9831 9.5262 121.4228 56.6000 63.4319 174.1288 46 A 4.2505 8.6729 130.0116 54.4879 18.5892 177.5658 47 V 4.3584 7.3057 107.0505 60.6799 35.6910 175.4906 48 G 3.6391 8.5434 108.8328 44.7295 0.0000 173.9452 49 N 4.5666 7.8740 115.8512 51.8707 36.9352 173.5571 50 A 4.8711 7.3938 121.4173 51.0720 22.8097 175.7182 51 E 4.6880 9.1154 114.5658 56.7048 32.2690 177.2111 52 S 3.7618 8.6284 115.7224 57.8703 61.2707 168.4426 53 R 4.8676 7.9659 116.4368 55.5097 31.2260 175.6353 54 Y 4.6908 8.8608 119.5447 55.8126 41.7855 175.3017 55 V 4.1869 8.5822 123.3535 62.9231 32.3481 174.9933 56 L 5.1881 8.8820 127.3168 54.5342 44.0286 175.0621 57 T 4.8321 8.4895 113.1463 61.5378 71.4836 173.3090 58 G 4.2553 8.5885 111.7633 46.5237 0.0000 172.0776 59 R 5.5814 8.7952 117.4663 55.1702 34.9232 174.0970 60 Y 5.2532 8.5424 118.4130 55.4921 41.8942 174.5865 61 D 4.4121 9.1177 121.2011 54.2294 41.4765 176.0468 62 S 4.4786 8.1527 119.3435 58.2384 63.5824 175.6149 63 A 4.6951 8.1571 123.2251 51.1487 19.6941 174.3597 64 P 5.1394 0.0000 0.0000 60.2818 33.0791 177.0524 65 A 4.1877 8.3312 121.8101 52.8082 18.6824 177.7740 66 T 4.3341 8.3274 108.6192 62.2474 69.6168 175.7858 67 D 4.4597 7.9741 120.9189 53.8542 39.7406 177.0340 68 G 3.9432 7.7155 108.1922 45.3964 0.0000 174.0644 69 S 4.2538 8.2399 115.8249 58.4883 63.3426 173.9911 70 G 4.0369 8.2361 109.5158 45.8733 0.0000 172.7196 71 T 4.7677 9.0552 116.7872 61.7437 69.9980 175.0590 72 A 4.8125 8.7140 129.3442 52.3260 19.8946 175.8665 73 L 4.9600 9.0247 120.2739 55.6288 44.5562 173.8801 74 G 4.6846 9.3640 105.6721 45.4691 0.0000 172.1584 75 W 5.8664 8.5913 117.3989 55.4993 32.3940 173.5123 76 T 5.2560 9.5066 117.1711 61.8526 72.1370 173.3356 77 V 4.5279 8.7275 124.0470 61.0297 34.5481 173.9666 78 A 4.5817 8.4356 129.5649 50.1811 20.2829 177.9705 79 W 4.1672 9.2178 125.2777 54.7421 27.7390 175.2409 80 K 5.3024 7.8991 118.8695 54.7580 35.3033 174.7880 81 N 4.9748 9.3483 123.3715 52.0070 39.7400 174.2817 82 N 4.6194 8.9263 113.9684 56.2923 38.9652 175.7425 83 Y 4.3250 8.0953 114.5404 59.3268 38.7799 175.5866 84 R 4.7539 8.6739 113.9198 54.4618 32.8405 173.7191 85 N 5.2745 8.4265 115.1589 52.0129 39.8053 173.6348 86 A 4.0635 9.1564 129.1925 52.8732 19.3965 176.6221 87 H 4.2427 8.8650 113.8325 55.9681 26.7221 172.9981 88 S 5.0695 7.4558 112.0303 57.7760 67.1673 174.1493 89 A 5.0790 9.1021 120.6257 50.8170 22.7078 175.2667 90 T 5.0174 8.8691 118.0647 61.7418 71.8781 173.4096 91 T 4.8582 8.6118 115.4677 59.6493 71.8576 172.5877 92 W 4.8817 8.4070 125.6713 54.7432 31.6653 174.9272 93 S 4.8728 8.8087 119.1613 56.9847 64.7659 172.5540 94 G 4.6348 8.7685 115.3506 46.2351 0.0000 171.3262 95 Q 5.3197 8.7079 117.5434 54.9555 32.2746 173.5027 96 Y 4.9996 9.2076 123.3276 56.9026 40.8387 174.2944 97 V 4.1584 8.6617 125.8042 60.9771 34.6480 175.6305 98 G 3.8563 8.2998 115.5868 45.3589 0.0000 171.5695 99 G 4.0747 8.7341 105.1659 43.1985 0.0000 173.1286 100 A 3.9906 8.5009 122.4016 54.2730 18.3040 177.1249 101 E 4.4546 7.8392 116.3621 53.8545 29.8411 174.6092 102 A 4.5423 8.3732 127.5353 51.9486 19.3979 176.3701 103 R 5.1787 9.4131 121.5118 54.7842 34.6201 173.9548 104 I 4.8992 9.0510 125.4827 59.7959 40.2666 174.1192 105 N 5.4161 9.0924 126.0344 52.1141 40.1168 174.7132 106 T 5.3240 9.0832 113.2569 60.0854 73.0732 172.6631 107 Q 4.9983 8.9669 120.9451 53.8591 32.2975 174.8143 108 W 5.3249 8.6507 119.1730 54.5945 32.3735 173.8222 109 L 5.2031 8.8268 120.8332 52.9411 44.4409 175.2648 110 L 5.0346 9.2104 126.7175 53.8302 44.2454 174.7859 111 T 5.0312 8.9281 124.4578 62.0244 70.6700 174.0770 112 S 5.1333 9.0291 123.3372 56.7624 64.5861 174.6373 113 G 3.9553 8.5900 111.8219 46.8489 0.0000 172.9682 114 T 4.7118 8.1306 111.5016 60.2327 71.7889 173.3242 115 T 4.2072 8.1627 112.7871 61.0426 70.0921 175.5096 116 E 4.0241 8.6308 120.7314 58.9011 29.8319 179.4341 117 A 3.9884 8.1594 121.2517 54.7593 18.6135 177.8494 118 N 4.8703 8.0061 110.6767 53.0125 39.1012 176.8844 119 A 4.0114 8.0813 124.0016 54.3929 18.5860 180.7272 120 A 4.0844 8.0652 117.8674 54.5098 18.5338 178.0721 121 K 4.6340 7.8825 115.0694 56.3041 32.8178 177.7570 122 S 4.3120 8.1517 116.4475 60.1008 63.5509 173.4300 123 T 5.0907 7.6645 117.0387 61.6744 70.8089 173.5692 124 L 4.6978 9.0123 127.5923 53.6562 43.6480 176.2737 125 V 4.4579 7.8744 121.1655 60.2286 34.4327 174.7157 126 G 2.8584 6.6851 108.2985 45.4892 0.0000 171.1978 127 H 5.2990 7.9073 114.2374 53.8378 31.5014 172.6521 128 D 5.3353 9.1702 121.1967 52.8473 44.8010 174.7903 129 T 5.1191 8.9177 119.0098 61.9580 71.1926 173.1965 130 F 5.5401 9.5702 126.0816 56.7423 41.2598 174.9974 131 T 5.5777 9.4407 116.2400 60.8128 71.7557 173.9713 132 K 4.0180 8.6442 122.6593 56.5703 32.2554 177.0627 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 16 G 8.25 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 17 I 7.24 3.60 1.33 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.48 0.00 0.00 18 T 7.82 3.87 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 1.12 0.00 0.00 19 G 7.54 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.72 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 0.69 0.00 0.00 21 W 8.81 5.11 0.00 3.26 3.25 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 22 Y 9.75 6.04 0.00 2.95 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 23 N 8.95 6.05 0.00 2.37 1.60 0.00 0.00 6.49 7.11 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 24 Q 8.71 4.20 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.41 4.30 0.00 1.89 1.81 1.02 1.16 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 26 G 8.28 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 27 S 8.05 4.67 0.00 3.86 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 28 T 8.70 4.62 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 1.08 0.00 0.00 29 F 9.31 4.84 0.00 2.57 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 30 I 8.50 4.67 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.72 0.73 0.00 0.00 31 V 8.00 4.77 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 0.00 0.00 0.05 0.00 0.00 0.60 0.00 0.00 32 T 8.86 4.70 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 1.09 0.00 0.00 33 A 8.37 4.71 0.60 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 0.00 0.00 34 G 9.70 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 35 A 8.41 4.31 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 36 D 8.01 4.31 0.00 2.81 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 37 G 8.00 3.31 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 0.00 38 A 8.11 4.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.89 5.24 0.00 1.89 1.63 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.46 4.99 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 1.21 0.00 0.00 41 G 7.28 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 42 T 8.43 5.09 4.18 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 1.17 0.00 0.00 43 Y 9.22 5.09 0.00 3.00 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 44 E 8.82 5.19 0.00 2.08 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 2.29 2.39 0.00 45 S 9.53 4.98 0.00 4.31 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 46 A 8.67 4.25 1.41 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 47 V 7.31 4.36 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 0.75 0.00 0.00 0.88 0.00 0.00 48 G 8.54 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 0.00 0.00 0.00 0.00 49 N 7.87 4.57 0.00 2.58 2.63 0.00 0.00 6.61 7.96 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 50 A 7.39 4.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.12 4.69 0.00 2.11 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 2.28 2.22 0.00 52 S 8.63 3.76 0.00 3.36 3.41 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 53 R 7.97 4.87 0.00 1.60 1.79 0.00 3.37 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 54 Y 8.86 4.69 0.00 3.03 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 55 V 8.58 4.19 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 0.80 0.00 0.00 0.93 0.00 0.00 56 L 8.88 5.19 0.00 2.03 1.79 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.49 4.83 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 1.26 0.00 0.00 58 G 8.59 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 0.00 0.00 0.00 0.00 59 R 8.80 5.58 0.00 1.76 1.79 0.00 3.32 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 60 Y 8.54 5.25 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.12 4.41 0.00 2.89 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 62 S 8.15 4.48 0.00 3.90 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.16 4.70 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 64 P 0.00 5.14 0.00 2.27 2.18 0.00 3.46 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.33 4.19 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 66 T 8.33 4.33 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 1.23 0.00 0.00 67 D 7.97 4.46 0.00 2.82 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 68 G 7.72 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 0.00 0.00 0.00 69 S 8.24 4.25 0.00 4.04 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 70 G 8.24 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.06 4.77 4.55 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 1.47 0.00 0.00 72 A 8.71 4.81 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 73 L 9.02 4.96 0.00 2.08 1.93 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.36 4.68 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 0.00 0.00 0.00 75 W 8.59 5.87 0.00 3.54 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 76 T 9.51 5.26 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 1.23 0.00 0.00 77 V 8.73 4.53 1.57 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 -0.41 0.00 0.00 0.81 0.00 0.00 78 A 8.44 4.58 1.20 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 0.00 0.00 0.00 79 W 9.22 4.17 0.00 3.23 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 80 K 7.90 5.30 0.00 1.97 1.74 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.51 7.81 81 N 9.35 4.97 0.00 2.70 2.51 0.00 0.00 6.60 6.53 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 82 N 8.93 4.62 0.00 3.00 3.00 0.00 0.00 6.74 7.46 0.00 0.00 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 Y 8.10 4.32 0.00 3.02 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 84 R 8.67 4.75 0.00 2.05 2.10 0.00 2.85 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 85 N 8.43 5.27 0.00 2.69 2.67 0.00 0.00 6.91 7.96 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 86 A 9.16 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.86 4.24 0.00 3.34 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.46 5.07 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.10 5.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.87 5.02 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 -0.58 0.00 0.00 91 T 8.61 4.86 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 1.15 0.00 0.00 92 W 8.41 4.88 0.00 1.78 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 0.00 0.00 0.00 93 S 8.81 4.87 0.00 3.80 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 0.00 94 G 8.77 4.63 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 95 Q 8.71 5.32 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 96 Y 9.21 5.00 0.00 2.97 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 97 V 8.66 4.16 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 0.87 0.00 0.00 0.89 0.00 0.00 98 G 8.30 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 99 G 8.73 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 0.00 100 A 8.50 3.99 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 0.00 101 E 7.84 4.45 0.00 1.92 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 0.00 2.23 2.40 0.00 102 A 8.37 4.54 1.50 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 0.00 0.00 0.00 103 R 9.41 5.18 0.00 1.89 1.78 0.00 3.10 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 104 I 9.05 4.90 1.83 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.36 1.11 0.00 0.00 105 N 9.09 5.42 0.00 2.73 2.81 0.00 0.00 6.10 6.38 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 0.00 106 T 9.08 5.32 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 1.47 0.00 0.00 107 Q 8.97 5.00 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 108 W 8.65 5.32 0.00 2.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.83 5.20 0.00 1.50 1.55 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.21 5.03 0.00 1.59 1.69 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.93 5.03 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 0.00 112 S 9.03 5.13 0.00 3.70 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 0.00 113 G 8.59 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.13 4.71 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 1.27 0.00 0.00 115 T 8.16 4.21 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 0.00 116 E 8.63 4.02 0.00 2.02 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 2.40 2.25 0.00 117 A 8.16 3.99 1.28 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 0.00 118 N 8.01 4.87 0.00 2.77 2.80 0.00 0.00 6.90 7.16 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 0.00 119 A 8.08 4.01 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 0.00 120 A 8.07 4.08 1.28 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 0.00 121 K 7.88 4.63 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.33 7.81 122 S 8.15 4.31 0.00 4.13 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 0.00 123 T 7.66 5.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 124 L 9.01 4.70 0.00 1.86 1.79 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.87 4.46 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 0.54 0.00 0.00 0.70 0.00 0.00 126 G 6.69 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 0.00 0.00 0.00 127 H 7.91 5.30 0.00 3.07 3.12 0.00 5.67 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 0.00 128 D 9.17 5.34 0.00 3.09 2.33 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 0.00 129 T 8.92 5.12 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 1.41 0.00 0.00 130 F 9.57 5.54 0.00 3.05 3.29 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 0.00 131 T 9.44 5.58 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 1.41 0.00 0.00 132 K 8.64 4.02 0.00 1.67 1.48 0.00 1.45 0.00 0.00 1.00 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.94 7.81