NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4474 8.3349 115.4131 57.9233 64.4948 173.9384 2 K 4.0462 7.9465 119.1134 57.5024 33.0001 175.9915 3 T 4.2147 8.4695 117.9141 65.3470 70.7999 175.4266 4 N 4.3780 7.9477 120.4404 53.1093 39.7719 173.6541 5 P 4.3110 0.0000 0.0000 65.5412 31.4283 178.9598 6 R 3.9393 8.6088 117.6348 59.1004 30.0780 178.7638 7 L 3.9390 8.0262 119.7258 58.0269 41.9932 178.7998 8 S 4.1107 7.9824 113.3358 61.4223 62.2511 176.3458 9 S 4.1517 8.0933 117.9975 61.2427 62.5179 176.2960 10 L 3.9093 8.1505 123.3476 58.1947 41.8178 179.1838 11 I 3.6853 7.7608 119.4496 64.2080 37.0346 178.3136 12 A 4.0036 7.7954 121.7362 55.3164 18.3208 179.4833 13 D 4.3046 8.4585 117.8274 57.4265 40.7192 179.0193 14 L 3.9290 8.1429 119.7230 57.5174 41.5594 179.6325 15 K 4.1014 7.8743 118.1802 59.0646 32.0213 179.2377 16 S 4.0865 8.1592 113.3481 61.4240 62.2926 176.2077 17 A 4.0218 8.0070 123.0187 55.1262 17.9075 179.5049 18 A 4.5627 7.7331 119.6003 54.8051 18.5028 179.6321 19 R 4.1509 7.9978 115.7408 58.7991 30.4070 179.0568 20 S 4.3497 8.0973 114.2850 61.1759 63.4792 175.2650 21 S 4.5788 8.0316 115.6046 57.7465 64.2639 173.9458 22 G 4.0116 8.4085 108.6335 45.8180 0.0000 174.1069 23 G 3.9966 7.9471 107.8942 43.0563 0.0000 174.3680 24 A 4.5413 8.0786 124.2455 52.4767 20.4683 179.4003 25 V 3.3621 7.2161 110.8696 64.3473 31.6095 178.1948 26 W 5.0770 7.7039 118.3101 60.2836 28.9285 178.7374 27 G 3.6355 8.2045 104.9133 47.4927 0.0000 175.2434 28 D 4.2950 8.0145 120.3277 57.3973 41.3797 178.5173 29 V 3.6427 8.9439 119.6291 65.8034 31.5667 177.7571 30 A 4.0192 8.2795 120.7923 55.3519 18.0562 179.4397 31 E 4.1229 8.0287 115.7200 59.6149 29.7759 179.3518 32 R 4.0545 7.8558 118.3473 59.2586 29.9647 178.4605 33 L 3.8622 7.8432 117.6169 57.1172 41.6584 178.7089 34 E 4.2139 7.7726 117.1658 57.4273 29.6717 177.2386 35 K 4.3261 7.1917 118.0682 54.8170 33.0748 174.9258 36 P 4.3416 0.0000 0.0000 62.8012 32.0194 177.7818 37 R 3.4736 8.7959 121.1826 59.4135 30.0755 179.1871 38 R 3.9151 7.9421 112.5133 58.7285 29.3598 177.2629 39 T 4.2774 7.8679 107.3009 62.3497 69.5097 174.9811 40 H 4.3604 7.9695 119.7987 55.4779 29.4439 174.9698 41 A 4.1395 8.0976 123.2453 52.5279 19.4792 176.8455 42 E 4.8730 8.6851 120.1448 54.3507 31.2048 173.8358 43 V 4.4206 8.5399 123.5241 60.9563 34.4953 174.5384 44 N 5.3650 8.4866 124.1032 51.4909 40.4298 176.1109 45 L 4.1213 8.4958 120.5526 58.0779 41.4930 180.1070 46 G 3.7071 8.2109 105.1685 47.8717 0.0000 175.3077 47 R 4.0570 7.9501 120.1545 58.9153 30.1366 178.6369 48 I 3.7910 7.6513 119.3677 64.3690 37.0387 177.7322 49 E 3.9091 8.1148 118.9752 59.2204 29.4262 178.4331 50 R 3.9271 7.2317 116.3928 57.8921 30.2140 176.2353 51 Y 4.8232 7.3833 112.4806 57.3065 39.4660 175.2640 52 A 4.7008 8.0219 123.3773 50.9110 20.5889 176.6967 53 Q 4.6217 8.0722 116.0541 53.9334 31.7965 174.7928 54 E 3.9880 8.6688 119.2743 58.0815 29.9759 177.1099 55 D 4.3603 8.8230 119.0782 54.7069 38.6991 173.4035 56 E 4.6808 7.6609 120.5789 54.2013 31.2530 175.5798 57 T 4.1288 8.3360 125.0045 64.1141 69.8087 173.8117 58 V 4.3245 8.7338 127.5822 62.4770 33.0644 174.7101 59 V 4.7828 9.0323 128.4843 61.2172 33.9453 174.2409 60 V 4.8344 9.2309 129.2480 58.9820 32.7071 174.5739 61 P 4.6755 0.0000 0.0000 60.7286 30.0779 174.6993 62 G 4.3038 7.0431 115.7781 47.5951 0.0000 174.5143 63 K 5.0658 9.1311 126.7473 54.2585 35.8137 174.2352 64 V 4.6906 8.2950 126.2347 61.5247 33.3697 174.8326 65 L 4.9515 9.5547 128.3615 52.7828 44.9011 176.8324 66 G 4.1525 8.5502 106.4022 46.8454 0.0000 174.1176 67 S 4.3858 8.2841 117.2839 59.3222 64.3094 175.2337 68 G 4.1061 9.1367 109.3233 44.4228 0.0000 172.0942 69 V 4.3043 7.9077 116.9878 60.7414 33.8833 174.5979 70 L 4.6849 8.5666 128.6797 53.4940 43.6361 175.1564 71 Q 4.4869 9.2149 124.7447 57.0374 30.9161 176.8362 72 K 3.9346 8.2441 115.3621 57.1938 32.8043 176.6881 73 D 5.5427 8.3045 122.4119 52.4858 40.3262 175.0238 74 V 4.7642 7.8891 115.6536 59.1910 36.4190 174.3789 75 T 4.8885 8.3906 119.3419 62.5001 70.1131 173.7718 76 V 4.8451 8.8694 127.8869 61.3016 33.7324 174.2387 77 A 5.9400 9.8078 129.8964 49.6408 21.1982 175.1296 78 A 5.0692 8.4069 122.6655 49.2794 22.8353 176.8385 79 V 3.5741 8.3356 119.2198 66.2019 32.0886 175.6034 80 D 4.6248 7.1337 116.5560 53.5407 44.3585 174.4083 81 F 5.4117 8.8559 120.4869 55.4665 43.0814 175.0190 82 S 4.4071 8.9332 116.6093 57.9092 64.2932 175.5116 83 G 3.7312 8.9570 107.1753 48.5706 0.0000 176.0212 84 T 3.8958 7.9262 117.8399 65.9799 68.4394 176.2689 85 A 4.0188 7.9371 122.4423 55.4878 18.3887 179.3160 86 E 3.6450 8.3550 117.2883 59.4274 29.2854 179.4419 87 T 3.8453 7.3066 115.3122 66.5392 68.8610 176.6209 88 K 4.5390 8.1625 121.9350 58.9806 32.0636 179.4904 89 I 3.6992 7.9974 120.1570 64.6096 36.9015 178.2871 90 D 4.5520 7.6156 117.5408 56.9867 40.6744 178.5144 91 Q 4.1927 7.8824 118.9792 57.8382 28.6753 177.6160 92 V 4.6073 7.3680 109.8192 60.7262 34.2220 174.2753 93 G 4.8277 7.7782 111.5264 45.1702 0.0000 174.8979 94 E 5.0002 9.6385 125.7229 54.5190 33.4632 172.7364 95 A 4.9114 8.8061 128.5313 50.2620 20.6673 176.3022 96 V 4.6088 9.0387 122.6865 60.8521 35.6904 175.1077 97 S 4.9553 8.5748 119.6085 57.5419 64.3317 175.0847 98 L 3.9449 8.2626 123.7203 58.1904 41.3009 179.4005 99 E 3.9161 7.8150 117.5242 59.0628 29.2548 179.1782 100 Q 3.8152 8.1545 118.1120 58.7827 29.0256 178.0760 101 A 4.0286 7.9831 121.2794 55.5614 18.1488 179.6348 102 I 3.0931 6.9793 116.3553 63.9718 37.0376 177.8644 103 E 4.1207 7.3109 119.2664 58.6222 29.6950 177.4727 104 N 4.7285 8.2244 113.9579 53.4613 40.4870 175.2422 105 N 5.0432 8.0553 117.8395 51.8581 40.5173 173.1207 106 P 4.7759 0.0000 0.0000 66.0594 31.9152 178.2231 107 E 4.0321 8.4963 117.4203 56.8217 30.2801 176.0986 108 G 3.6084 8.4676 107.9565 46.3601 0.0000 172.6368 109 S 4.5334 8.3056 111.4071 57.1903 66.4603 174.1571 110 H 4.0207 8.3204 115.9912 57.1149 25.9170 174.6819 111 V 4.7907 7.2123 115.8774 59.8222 35.1832 176.5566 112 R 4.5133 8.9328 123.6745 54.3924 32.5338 174.5995 113 V 4.4053 8.4288 127.1536 62.9089 32.0676 175.1517 114 I 4.8431 9.0131 128.4793 59.4712 41.1941 175.9468 115 R 4.1737 8.3969 121.3827 56.5726 29.2953 174.7288 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 S 8.33 4.45 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 7.95 4.05 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.47 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 4 N 7.95 4.38 0.00 2.75 2.71 0.00 0.00 7.21 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.61 3.94 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 7 L 8.03 3.94 0.00 1.76 1.83 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.98 4.11 0.00 4.12 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 9 S 8.09 4.15 0.00 4.04 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 10 L 8.15 3.91 0.00 1.71 1.80 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.76 3.69 2.02 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 1.45 1.04 0.92 0.00 0.00 12 A 7.80 4.00 1.33 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 13 D 8.46 4.30 0.00 2.73 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 14 L 8.14 3.93 0.00 1.92 1.93 0.93 0.68 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 15 K 7.87 4.10 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.16 4.09 0.00 4.02 3.95 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 17 A 8.01 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.73 4.56 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 19 R 8.00 4.15 0.00 1.83 2.01 0.00 3.22 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 20 S 8.10 4.35 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 21 S 8.03 4.58 0.00 4.24 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 22 G 8.41 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 23 G 7.95 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 24 A 8.08 4.54 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 25 V 7.22 3.36 1.64 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 0.61 0.00 0.00 -0.35 0.00 0.00 26 W 7.70 5.08 0.00 3.34 3.23 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 27 G 8.20 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 28 D 8.01 4.30 0.00 3.05 2.82 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 29 V 8.94 3.64 2.43 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 1.03 0.00 0.00 1.10 0.00 0.00 30 A 8.28 4.02 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 31 E 8.03 4.12 0.00 2.17 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 2.36 2.48 0.00 32 R 7.86 4.05 0.00 1.95 2.04 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 L 7.84 3.86 0.00 1.78 1.69 0.90 0.60 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 34 E 7.77 4.21 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 35 K 7.19 4.33 0.00 2.02 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.63 7.81 36 P 0.00 4.34 0.00 2.16 1.96 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.80 3.47 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 38 R 7.94 3.92 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.87 4.28 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 40 H 7.97 4.36 0.00 3.23 3.25 0.00 5.68 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 41 A 8.10 4.14 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 42 E 8.69 4.87 0.00 1.80 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 2.20 2.45 0.00 43 V 8.54 4.42 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.49 5.36 0.00 2.70 2.97 0.00 0.00 7.62 6.74 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 45 L 8.50 4.12 0.00 1.80 1.74 0.94 1.43 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 46 G 8.21 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 0.00 0.00 0.00 47 R 7.95 4.06 0.00 1.97 1.98 0.00 3.19 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 48 I 7.65 3.79 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.55 0.96 0.00 0.00 49 E 8.11 3.91 0.00 1.96 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 0.00 2.42 2.31 0.00 50 R 7.23 3.93 0.00 1.67 1.35 0.00 2.38 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.30 0.00 51 Y 7.38 4.82 0.00 2.99 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 52 A 8.02 4.70 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 53 Q 8.07 4.62 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 54 E 8.67 3.99 0.00 1.99 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 2.52 2.35 0.00 55 D 8.82 4.36 0.00 2.83 2.78 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 56 E 7.66 4.68 0.00 1.91 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 2.22 2.27 0.00 57 T 8.34 4.13 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 1.37 0.00 0.00 58 V 8.73 4.32 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.03 4.78 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 1.16 0.00 0.00 1.11 0.00 0.00 60 V 9.23 4.83 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 1.05 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.68 0.00 2.12 2.23 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 7.04 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.13 5.07 0.00 1.73 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.34 7.81 64 V 8.30 4.69 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 1.06 0.00 0.00 0.79 0.00 0.00 65 L 9.55 4.95 0.00 1.66 1.55 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.55 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 67 S 8.28 4.39 0.00 4.04 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 68 G 9.14 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 69 V 7.91 4.30 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.57 4.68 0.00 1.61 1.54 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.21 4.49 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.24 3.93 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.30 5.54 0.00 2.85 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 74 V 7.89 4.76 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 0.89 0.00 0.00 0.96 0.00 0.00 75 T 8.39 4.89 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 1.27 0.00 0.00 76 V 8.87 4.85 2.32 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 1.08 0.00 0.00 1.03 0.00 0.00 77 A 9.81 5.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 5.07 0.50 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 79 V 8.34 3.57 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 0.71 0.00 0.00 0.90 0.00 0.00 80 D 7.13 4.62 0.00 2.76 2.37 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 81 F 8.86 5.41 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 82 S 8.93 4.41 0.00 3.96 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 83 G 8.96 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 84 T 7.93 3.90 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 85 A 7.94 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.35 3.65 0.00 1.94 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 0.00 2.17 2.04 0.00 87 T 7.31 3.85 4.42 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 1.20 0.00 0.00 88 K 8.16 4.54 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 I 8.00 3.70 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 0.90 0.00 0.00 90 D 7.62 4.55 0.00 2.77 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 91 Q 7.88 4.19 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 92 V 7.37 4.61 2.24 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 0.80 0.00 0.00 1.01 0.00 0.00 93 G 7.78 4.83 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 0.00 0.00 0.00 94 E 9.64 5.00 0.00 2.01 1.73 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 2.17 2.23 0.00 95 A 8.81 4.91 0.63 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 96 V 9.04 4.61 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.57 4.96 0.00 4.10 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 98 L 8.26 3.94 0.00 1.88 1.64 1.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.81 3.92 0.00 2.10 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 2.28 2.32 0.00 100 Q 8.15 3.82 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 101 A 7.98 4.03 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 0.00 102 I 6.98 3.09 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.53 0.00 0.00 103 E 7.31 4.12 0.00 1.92 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 0.00 2.30 2.32 0.00 104 N 8.22 4.73 0.00 2.77 2.88 0.00 0.00 6.78 8.85 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 0.00 105 N 8.06 5.04 0.00 2.93 3.07 0.00 0.00 6.85 7.21 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 0.00 106 P 0.00 4.78 0.00 2.30 2.24 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.50 4.03 0.00 2.14 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 2.42 2.40 0.00 108 G 8.47 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 0.00 109 S 8.31 4.53 0.00 3.89 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 0.00 110 H 8.32 4.02 0.00 3.33 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.21 4.79 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 0.45 0.00 0.00 0.83 0.00 0.00 112 R 8.93 4.51 0.00 2.13 1.81 0.00 3.15 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.43 4.41 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 9.01 4.84 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.99 0.00 0.00 115 R 8.40 4.17 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00