NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3905 8.3193 115.2907 58.1548 63.8296 173.6719 6 T 4.2800 7.7185 109.5112 61.9883 68.9084 172.5015 7 T 4.7780 7.3086 117.8379 62.6698 73.4586 174.5092 8 V 4.5263 8.0373 124.8017 58.4307 34.6150 173.4462 9 P 4.3622 0.0000 0.0000 63.9289 31.9897 175.1812 10 S 5.3488 8.7446 118.1499 56.6867 67.5243 172.6611 11 I 5.1669 8.8577 114.3567 59.3976 41.6056 173.9517 12 V 4.7368 8.6874 123.6812 61.4398 33.3775 174.4981 13 V 4.8957 8.9567 128.2690 61.4475 34.2206 173.6081 14 Y 5.3847 9.1825 125.5097 56.5878 40.2472 174.9051 15 V 5.2414 8.9165 123.3708 60.2659 34.7777 174.6828 16 T 4.8462 8.6884 118.1056 61.6073 70.1638 174.2265 17 V 4.6018 8.8076 115.9500 59.1602 35.8887 174.8434 18 P 4.4080 0.0000 0.0000 64.5029 32.0449 175.3143 19 N 4.9786 7.4932 115.1880 50.9390 39.9889 175.0288 20 K 4.4540 8.4840 118.3530 58.8851 32.7793 178.5477 21 E 3.8905 8.5027 118.8464 59.1817 29.6987 177.8204 22 A 3.9776 8.5860 121.2190 55.7874 18.2763 179.9628 23 G 3.5692 8.0169 102.9075 47.6176 0.0000 175.8222 24 K 3.9118 7.7119 119.8282 59.5414 32.0650 179.5728 25 R 3.9728 8.2342 118.4662 58.8897 30.0745 178.6564 26 L 3.9486 8.5296 120.3214 58.0660 41.9936 178.9947 27 A 4.0727 8.3383 120.9870 55.1832 18.3751 179.7556 28 G 3.5908 7.9095 104.1289 47.9170 0.0000 175.8554 29 S 4.1221 8.0591 115.2248 61.3626 62.6417 175.6361 30 I 3.4456 8.1211 122.5171 65.1030 36.8860 178.2369 31 I 3.6411 8.1530 119.7356 64.5486 36.8813 178.4682 32 S 4.1564 7.8201 114.6813 61.9650 62.8724 176.3143 33 E 4.1878 7.9018 116.8223 55.6426 29.6369 176.4977 34 K 3.7603 7.9316 119.8125 57.6530 31.0027 176.4148 35 L 4.4896 7.6234 115.4566 54.4413 42.3290 176.3669 36 A 4.5127 7.4530 118.6428 51.7020 21.8398 175.9272 37 A 4.0036 8.4068 122.2953 54.6017 19.4205 177.3868 38 C 4.7719 7.4816 107.5492 57.8813 32.8993 173.3063 39 V 4.9090 8.3439 118.5570 61.3871 33.9788 174.0005 40 N 4.8382 9.4464 126.1501 52.2429 40.4389 174.2115 41 I 4.6949 8.3274 124.5341 59.8376 38.7685 175.5325 42 V 4.1114 9.0437 129.8702 61.1678 32.3512 173.9815 43 P 4.8725 0.0000 0.0000 60.3653 33.6605 175.1089 44 G 4.0465 8.4680 105.1809 46.3783 0.0000 173.1238 45 I 4.3096 7.5326 111.9756 59.4639 39.7892 173.9347 46 E 5.0152 8.6792 125.2814 54.8149 31.4603 174.8577 47 S 4.8889 9.4092 122.8608 56.7215 65.8758 173.0248 48 V 5.0697 8.3119 124.5623 61.4526 33.7145 173.8669 49 Y 4.8560 8.4587 124.1593 56.4275 41.9150 172.3284 50 W 5.0913 8.9917 129.9445 55.5558 32.0957 175.3419 51 W 4.7158 8.9598 135.0000 57.4269 33.7044 174.1430 52 E 3.2578 9.0236 126.8092 57.4681 26.1762 175.4472 53 G 3.9992 9.3252 102.5349 45.4352 0.0000 172.3958 54 K 2.7225 6.4074 117.5477 55.4537 35.0001 174.5481 55 V 4.1962 7.3456 119.6014 61.7431 31.0915 175.8122 56 Q 4.1907 8.1803 129.8118 55.9242 30.3938 174.7142 57 T 5.2201 8.0347 113.5524 60.4593 71.7956 172.6285 58 D 5.0656 9.5363 124.5634 52.2933 45.6841 174.3108 59 A 4.7195 8.5729 122.9266 51.5358 19.8523 176.5229 60 E 4.9334 9.3066 121.5857 55.2576 34.7515 173.5548 61 E 5.0595 9.2687 118.1676 54.6428 33.6705 174.2870 62 L 4.9014 8.9129 122.3927 53.3030 44.8077 174.8417 63 L 4.9345 8.8269 126.5805 53.3207 43.8951 175.6043 64 I 4.7337 8.9315 126.6788 60.1719 38.6580 174.9771 65 I 4.8868 8.9178 129.6898 59.4987 39.5512 175.1577 66 K 4.9202 9.2343 128.2293 55.7072 33.4883 175.7614 67 T 4.7664 8.4078 120.1907 61.2846 71.2073 172.4026 68 R 4.4923 8.4089 119.0019 55.0293 31.5628 176.9919 69 E 3.8704 8.8386 122.2516 59.9995 29.2156 179.8426 70 S 4.1795 8.0457 113.5611 60.8399 63.1949 175.4060 71 L 4.4376 7.8710 119.8659 54.5380 41.7235 177.9444 72 L 3.9896 7.6413 122.2639 58.3686 41.8117 178.7890 73 D 4.2926 8.0263 117.9357 57.3184 40.8999 178.2215 74 A 3.9851 7.9825 120.7878 55.2196 18.3173 179.2999 75 L 3.8960 8.3776 119.1564 58.6479 42.0416 179.3852 76 T 3.9382 8.1381 115.7560 66.4334 68.4020 176.7616 77 E 3.9785 8.5968 121.1927 59.4993 29.4905 178.6810 78 H 4.0707 8.4570 118.4957 59.3668 29.7177 177.4509 79 V 3.6432 7.8153 118.8344 65.8008 31.3524 177.9729 80 K 4.0594 7.7009 117.1975 59.5263 32.0821 178.5253 81 A 4.1076 7.4220 119.3815 54.3641 19.1162 177.9167 82 N 4.9789 7.7752 112.7440 51.7848 38.9453 174.5249 83 H 4.6045 7.5741 115.4002 54.7357 33.4517 172.5553 84 E 3.9827 8.4479 127.6286 59.3596 29.7165 176.8973 85 Y 4.6984 7.2902 114.3561 57.7597 38.8788 175.3741 86 D 4.5550 8.7901 121.3404 56.7206 41.4402 177.6282 87 V 4.3576 7.3289 118.2536 59.6344 31.0601 172.3008 88 P 4.3130 0.0000 0.0000 61.7874 32.2535 176.6434 89 E 4.1209 8.8029 122.5077 56.7713 30.6441 175.9669 90 V 5.4782 8.5425 126.7337 59.5509 34.1586 174.5566 91 I 4.7704 8.4567 118.0737 58.9254 41.0748 173.7136 92 A 5.1986 8.6124 125.9021 50.2401 21.5477 175.6724 93 L 4.7592 8.7961 120.2827 52.3503 45.8174 174.2692 94 P 4.8181 0.0000 0.0000 62.0994 32.5499 175.5708 95 I 4.1221 8.2682 124.8570 60.1766 38.0540 177.3273 96 K 4.2472 8.5361 128.1628 55.5107 30.8779 177.1811 97 G 3.8174 8.5609 109.6332 44.9915 0.0000 169.5574 98 G 3.9425 9.1097 104.1682 43.1217 0.0000 172.3701 99 N 4.0501 8.5426 117.8990 53.2913 39.0050 174.6469 100 L 4.0687 8.6538 130.6912 58.1581 42.3336 178.8256 101 K 4.6012 8.0091 119.5404 58.8075 32.0697 178.3310 102 Y 4.1384 8.1572 119.4820 60.9971 38.7718 178.3308 103 L 4.3417 8.2539 119.2126 57.1606 41.6544 179.1034 104 E 4.3542 7.8120 120.1110 57.7311 29.8611 178.2879 105 W 4.1334 8.2245 128.4066 60.2319 30.7072 177.5397 106 L 3.1867 8.2475 120.7086 57.7228 41.2903 178.5059 107 K 3.6954 7.5823 118.4891 59.8473 32.1168 178.0769 108 N 4.4168 8.0182 115.2800 56.2667 38.7723 177.4632 109 S 4.0694 7.6689 113.5115 59.1926 63.2675 174.0402 110 T 4.3922 6.5454 112.5378 59.8969 70.6144 174.8921 111 R 4.0870 7.7753 116.9984 56.4841 29.6944 176.2685 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 5 S 8.32 4.39 0.00 3.85 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 6 T 7.72 4.28 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 1.22 0.00 0.00 7 T 7.31 4.78 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 8 V 8.04 4.53 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 0.75 0.00 0.00 0.91 0.00 0.00 9 P 0.00 4.36 0.00 2.13 2.24 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 10 S 8.74 5.35 0.00 3.78 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 11 I 8.86 5.17 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 1.23 0.76 0.90 0.00 0.00 12 V 8.69 4.74 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 1.13 0.00 0.00 1.00 0.00 0.00 13 V 8.96 4.90 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 1.05 0.00 0.00 0.95 0.00 0.00 14 Y 9.18 5.38 0.00 2.86 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 15 V 8.92 5.24 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 1.36 0.00 0.00 1.03 0.00 0.00 16 T 8.69 4.85 4.40 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 1.24 0.00 0.00 17 V 8.81 4.60 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 0.73 0.00 0.00 0.99 0.00 0.00 18 P 0.00 4.41 0.00 2.18 2.19 0.00 3.50 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 19 N 7.49 4.98 0.00 2.88 2.89 0.00 0.00 5.92 6.45 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 20 K 8.48 4.45 0.00 1.97 1.83 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 21 E 8.50 3.89 0.00 2.05 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 0.00 2.34 2.35 0.00 22 A 8.59 3.98 1.30 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 23 G 8.02 3.57 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 0.00 24 K 7.71 3.91 0.00 2.11 1.87 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 25 R 8.23 3.97 0.00 1.94 1.95 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 26 L 8.53 3.95 0.00 1.81 1.67 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.34 4.07 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 28 G 7.91 3.59 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 29 S 8.06 4.12 0.00 3.96 4.19 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 30 I 8.12 3.45 2.12 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 1.47 0.93 0.88 0.00 0.00 31 I 8.15 3.64 1.88 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 1.69 1.19 0.92 0.00 0.00 32 S 7.82 4.16 0.00 4.04 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 33 E 7.90 4.19 0.00 2.05 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 2.34 2.53 0.00 34 K 7.93 3.76 0.00 1.92 1.79 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.47 7.81 35 L 7.62 4.49 0.00 1.62 1.63 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.45 4.51 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 37 A 8.41 4.00 0.62 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 0.00 0.00 38 C 7.48 4.77 0.00 3.15 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 39 V 8.34 4.91 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 0.86 0.00 0.00 0.96 0.00 0.00 40 N 9.45 4.84 0.00 2.65 2.71 0.00 0.00 6.47 7.72 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 41 I 8.33 4.69 1.86 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 1.23 0.55 0.89 0.00 0.00 42 V 9.04 4.11 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 0.86 0.00 0.00 0.87 0.00 0.00 43 P 0.00 4.87 0.00 2.10 2.04 0.00 3.56 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 44 G 8.47 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.53 4.31 1.86 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 1.09 0.90 0.95 0.00 0.00 46 E 8.68 5.02 0.00 2.00 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 2.24 2.34 0.00 47 S 9.41 4.89 0.00 3.82 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 48 V 8.31 5.07 2.17 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 0.92 0.00 0.00 0.98 0.00 0.00 49 Y 8.46 4.86 0.00 3.18 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 50 W 8.99 5.09 0.00 3.55 3.11 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 51 W 8.96 4.72 0.00 3.27 2.96 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 52 E 9.02 3.26 0.00 1.75 1.62 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 1.47 1.47 0.00 53 G 9.33 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 54 K 6.41 2.72 0.00 1.44 1.54 0.00 1.19 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.99 1.30 7.81 55 V 7.35 4.20 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 0.77 0.00 0.00 1.08 0.00 0.00 56 Q 8.18 4.19 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 57 T 8.03 5.22 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 1.16 0.00 0.00 58 D 9.54 5.07 0.00 2.61 2.59 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 59 A 8.57 4.72 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 60 E 9.31 4.93 0.00 1.89 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 0.00 2.31 2.31 0.00 61 E 9.27 5.06 0.00 2.02 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 2.15 2.18 0.00 62 L 8.91 4.90 0.00 1.63 1.44 0.72 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.83 4.93 0.00 1.87 1.58 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.93 4.73 1.88 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 0.97 0.34 1.06 0.00 0.00 65 I 8.92 4.89 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.93 0.00 0.00 66 K 9.23 4.92 0.00 1.88 1.90 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.57 7.81 67 T 8.41 4.77 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 1.21 0.00 0.00 68 R 8.41 4.49 0.00 1.87 1.85 0.00 3.15 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 1.62 1.52 0.00 69 E 8.84 3.87 0.00 2.14 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 0.00 2.31 2.37 0.00 70 S 8.05 4.18 0.00 3.85 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 71 L 7.87 4.44 0.00 1.80 1.65 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.64 3.99 0.00 1.70 1.67 0.92 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.03 4.29 0.00 2.72 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 74 A 7.98 3.99 1.30 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 75 L 8.38 3.90 0.00 1.74 1.73 0.92 0.75 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 76 T 8.14 3.94 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 1.22 0.00 0.00 77 E 8.60 3.98 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 78 H 8.46 4.07 0.00 3.34 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.82 3.64 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 0.89 0.00 0.00 1.04 0.00 0.00 80 K 7.70 4.06 0.00 1.86 1.85 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 81 A 7.42 4.11 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 82 N 7.78 4.98 0.00 2.59 2.70 0.00 0.00 6.78 8.32 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 83 H 7.57 4.60 0.00 3.19 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.45 3.98 0.00 1.75 1.53 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 0.00 2.31 2.29 0.00 85 Y 7.29 4.70 0.00 2.97 2.73 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 86 D 8.79 4.56 0.00 2.73 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 87 V 7.33 4.36 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 0.88 0.00 0.00 0.97 0.00 0.00 88 P 0.00 4.31 0.00 2.08 1.63 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 89 E 8.80 4.12 0.00 2.08 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 2.44 2.37 0.00 90 V 8.54 5.48 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 0.71 0.00 0.00 0.95 0.00 0.00 91 I 8.46 4.77 1.83 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 1.34 0.82 0.93 0.00 0.00 92 A 8.61 5.20 1.19 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 0.00 0.00 93 L 8.80 4.76 0.00 1.41 1.41 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.82 0.00 1.93 1.96 0.00 3.64 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 1.99 2.09 0.00 95 I 8.27 4.12 1.91 0.00 0.00 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 1.27 0.53 0.98 0.00 0.00 96 K 8.54 4.25 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 97 G 8.56 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 98 G 9.11 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 99 N 8.54 4.05 0.00 2.87 2.86 0.00 0.00 6.54 6.66 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 0.00 100 L 8.65 4.07 0.00 1.83 1.69 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.01 4.60 0.00 1.89 1.89 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.39 7.81 102 Y 8.16 4.14 0.00 3.15 3.27 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 0.00 103 L 8.25 4.34 0.00 2.00 1.77 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.81 4.35 0.00 2.16 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 2.47 2.31 0.00 105 W 8.22 4.13 0.00 3.37 3.35 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 0.00 106 L 8.25 3.19 0.00 1.52 1.61 1.01 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.58 3.70 0.00 1.86 2.02 0.00 1.97 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 108 N 8.02 4.42 0.00 2.60 2.80 0.00 0.00 7.14 7.43 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 0.00 109 S 7.67 4.07 0.00 3.55 3.24 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 0.00 110 T 6.55 4.39 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 1.04 0.00 0.00 111 R 7.78 4.09 0.00 1.95 1.89 0.00 3.06 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.52 0.00