NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 K 4.3508 8.1685 120.1310 56.6908 34.6773 177.2676 18 A 3.9287 7.7743 125.9869 53.9151 19.0529 177.7451 19 Q 4.0284 8.8062 119.5455 59.5096 29.9202 176.3833 20 Q 4.0599 8.0663 118.2524 58.5984 28.5942 178.2176 21 E 3.9101 7.8643 119.7405 58.8489 29.6737 178.2435 22 E 3.8988 8.1431 119.6573 59.3983 29.6805 178.9017 23 R 4.1049 7.9231 118.0473 59.4238 30.1378 178.1886 24 L 3.9294 7.7120 118.4858 57.8565 41.5137 179.2037 25 D 4.3959 8.4335 119.1348 57.5034 40.7537 178.7344 26 E 4.0486 8.1565 118.5951 59.4497 29.3522 179.5376 27 I 3.8991 7.9589 119.9208 64.5116 37.1524 178.0952 28 N 4.3841 8.6611 117.6651 56.3625 37.9295 177.3457 29 K 4.0342 8.2344 120.9597 59.5191 32.0571 178.9007 30 Q 4.0655 7.9333 117.5071 59.1771 28.9109 178.5892 31 F 4.1218 8.8669 119.0857 60.2595 38.6990 177.3559 32 L 4.0619 8.3301 119.7655 58.0177 41.8617 177.8768 33 D 4.9080 7.5393 115.2199 53.1140 41.1944 175.6961 34 D 4.5392 8.0942 122.0115 52.6600 41.4189 174.9964 35 P 4.4711 0.0000 0.0000 64.9178 31.0184 178.3433 36 K 3.7736 7.9032 117.3987 58.4685 32.3153 177.2786 37 Y 4.8239 7.5913 114.8917 57.7140 38.7534 177.5008 38 S 4.2789 8.0242 118.4396 61.3090 62.6662 176.2734 39 S 4.1446 8.0264 114.7173 60.0038 63.2712 173.6988 40 D 4.6258 7.9931 121.9650 52.6374 39.8849 176.2546 41 E 3.9932 8.7478 125.7480 58.8349 29.7178 177.7399 42 D 4.7319 8.5198 118.4565 53.9938 41.3876 177.5373 43 L 3.8413 8.1134 123.7110 58.0407 41.5984 177.0997 44 P 4.2415 0.0000 0.0000 65.9687 31.3086 178.6423 45 S 4.2705 7.9285 112.0073 60.9780 63.2461 176.3689 46 K 3.5335 8.1329 122.4146 59.1848 31.7550 179.2176 47 L 4.0225 7.9536 119.4038 57.7956 41.4468 179.5394 48 E 4.1588 7.7691 118.8932 59.2560 29.4170 179.5767 49 G 3.6424 7.9917 105.9242 47.7972 0.0000 175.9037 50 F 4.8929 8.6673 120.6196 60.2175 38.7955 177.7267 51 K 4.0783 8.5120 119.5525 59.6863 31.8283 178.7250 52 E 4.0100 8.1066 117.6508 59.2608 29.7801 178.9775 53 K 4.2161 8.5176 119.7353 59.7249 32.1857 178.2394 54 Y 3.8883 8.6140 120.1609 60.8814 38.5422 177.4249 55 M 4.2721 8.2444 116.9591 56.7767 32.1241 177.7401 56 E 4.1076 7.8205 118.5800 57.6475 29.9471 177.1230 57 F 4.3068 7.2330 116.9884 56.5432 39.8370 174.7448 58 D 4.5098 8.1850 123.1619 54.0057 41.1931 176.2224 59 L 4.6020 8.1367 123.9767 52.7130 43.7912 176.5379 60 N 4.6827 8.7981 121.2535 51.6505 39.0031 175.7399 61 G 3.6455 8.6302 106.1526 48.5246 0.0000 173.9353 62 N 4.6058 8.7884 115.3951 52.8682 38.9661 175.8044 63 G 3.9012 8.5413 107.0662 45.5618 0.0000 173.0553 64 D 5.1122 7.8767 118.7062 51.8959 44.3176 175.0083 65 I 4.0720 7.9220 121.4046 59.8056 39.0238 175.7043 66 D 5.1609 8.0965 126.7263 51.8806 42.3885 177.1816 67 I 3.6901 8.4320 118.1293 65.2209 36.9508 178.5288 68 M 4.0990 7.9843 118.7877 58.1626 31.8081 178.6940 69 S 4.0635 8.6525 113.8111 61.3016 62.5849 175.9338 70 L 4.2810 8.1609 123.2130 57.9885 41.8136 178.6608 71 K 3.8883 8.2754 119.6828 59.6123 32.0661 178.5343 72 R 3.8296 8.1199 118.8489 59.6778 29.8564 178.0734 73 M 3.7836 7.9974 117.7890 58.7104 32.1302 178.2662 74 L 4.0243 8.1640 119.0092 57.5960 41.7442 179.3576 75 E 3.9695 8.1733 118.9313 59.3688 29.1674 179.4921 76 K 4.0511 7.6040 117.1643 58.7570 32.1289 178.3762 77 L 4.4597 7.3465 117.1295 53.8376 41.7718 176.9407 78 G 3.8885 7.7886 106.7318 46.5792 0.0000 175.1056 79 V 4.3503 7.7119 119.0968 59.5568 30.8820 172.9708 80 P 4.4259 0.0000 0.0000 62.4444 32.1991 176.9814 81 K 4.6667 8.2408 120.0983 53.8959 35.9594 176.8821 82 T 4.2036 9.2633 113.5438 61.4458 70.9596 175.2910 83 H 4.0915 8.7463 120.9816 59.6504 29.8543 177.1651 84 L 3.9801 7.9170 121.4317 58.1083 41.9882 178.5835 85 E 4.0281 8.1390 118.7210 59.2302 29.3578 179.2602 86 L 4.0622 8.1359 119.4003 57.6584 41.5666 179.6393 87 K 3.9796 7.8696 118.2995 59.2845 31.7454 179.3101 88 K 3.9383 7.8562 118.9396 59.3236 32.2878 178.5635 89 L 4.1412 8.0246 119.2184 57.9951 41.5527 179.6719 90 I 3.9589 7.9498 119.7686 64.3664 36.9201 178.7142 91 G 3.7440 8.2354 105.2870 47.1882 0.0000 174.6191 92 E 4.1824 7.6937 120.8206 57.8991 29.8489 177.1700 93 V 4.1337 7.3573 109.5925 61.3208 33.5837 176.0756 94 S 4.5519 8.2874 115.7133 58.3160 62.5610 173.9089 95 S 4.6088 9.1418 120.7689 58.5116 64.3618 174.7013 96 G 4.1807 7.4250 111.5305 45.0316 0.0000 174.5053 97 S 4.3391 9.0884 120.6280 58.2657 62.1364 173.5368 98 G 3.8867 7.3833 112.9090 42.7429 0.0000 172.2090 99 E 5.9610 8.1063 135.0000 57.6222 28.2100 176.4028 100 T 5.0018 7.0956 106.8833 60.3460 72.0018 173.0923 101 F 5.2932 8.3558 116.5299 55.3555 41.8552 174.5392 102 S 5.2463 8.9445 115.7329 56.6957 65.5304 174.4175 103 Y 3.5598 8.5669 119.2244 60.2959 38.3965 175.7986 104 P 3.9704 0.0000 0.0000 65.4593 31.5608 178.2615 105 D 4.3899 8.0645 117.3374 57.2686 40.7046 178.5415 106 F 4.0604 8.4149 121.2848 61.3123 39.4097 177.1820 107 L 3.3692 7.6322 118.7508 57.6785 41.0353 179.6542 108 R 4.0245 7.5935 116.6575 59.3906 30.0217 178.6657 109 M 4.0232 7.4696 116.8231 58.9640 32.4000 177.8762 110 M 3.7031 7.4220 117.6795 59.1091 32.4211 177.5964 111 L 4.5304 8.4093 124.9251 52.8995 43.5505 173.8001 112 G 4.0745 8.5718 119.9495 45.8394 0.0000 173.5170 113 K 4.1774 8.5763 120.5714 58.2627 32.6859 178.3031 114 R 4.0243 7.8200 114.4517 55.9855 30.0199 176.5451 115 S 4.4544 8.2691 116.6711 56.6772 63.1503 174.5105 116 A 4.3801 7.9958 127.2091 51.3993 20.3719 177.6445 117 I 3.6371 8.4968 122.7749 64.5254 37.1336 178.8973 118 L 4.0004 7.8478 120.6154 57.8197 41.9217 178.7854 119 K 3.8009 7.8701 119.2024 59.8412 32.0180 178.6095 120 M 4.1000 7.6059 117.2459 58.2187 31.8566 178.6883 121 I 3.8890 7.5443 119.3299 64.5365 37.4581 178.2708 122 L 4.2072 8.0400 118.4485 57.3308 41.5131 177.1656 123 M 4.2259 8.0202 122.3489 55.3919 32.0908 175.7523 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 17 K 8.17 4.35 0.00 1.82 1.76 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 18 A 7.77 3.93 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 19 Q 8.81 4.03 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 20 Q 8.07 4.06 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 21 E 7.86 3.91 0.00 2.05 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 2.28 2.28 0.00 22 E 8.14 3.90 0.00 2.09 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 2.32 2.33 0.00 23 R 7.92 4.10 0.00 1.97 2.08 0.00 3.33 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 24 L 7.71 3.93 0.00 1.74 1.14 0.71 0.34 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 25 D 8.43 4.40 0.00 2.93 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 26 E 8.16 4.05 0.00 2.26 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 2.36 2.60 0.00 27 I 7.96 3.90 2.33 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.97 0.00 0.00 28 N 8.66 4.38 0.00 3.00 2.95 0.00 0.00 6.69 8.52 0.00 0.00 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 K 8.23 4.03 0.00 1.94 2.05 0.00 1.57 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 1.47 1.57 7.81 30 Q 7.93 4.07 0.00 2.50 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 31 F 8.87 4.12 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 32 L 8.33 4.06 0.00 1.76 1.98 0.96 1.15 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 33 D 7.54 4.91 0.00 2.72 2.68 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 34 D 8.09 4.54 0.00 2.60 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 35 P 0.00 4.47 0.00 2.11 2.05 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 36 K 7.90 3.77 0.00 1.44 0.99 0.00 1.29 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.75 1.17 7.81 37 Y 7.59 4.82 0.00 3.09 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 38 S 8.02 4.28 0.00 4.02 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 39 S 8.03 4.14 0.00 3.99 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 40 D 7.99 4.63 0.00 2.81 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 41 E 8.75 3.99 0.00 2.11 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 0.00 2.28 2.29 0.00 42 D 8.52 4.73 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 3.84 0.00 1.97 1.71 0.93 0.98 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 44 P 0.00 4.24 0.00 2.18 2.10 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 45 S 7.93 4.27 0.00 4.00 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 46 K 8.13 3.53 0.00 1.73 1.11 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.17 1.44 7.81 47 L 7.95 4.02 0.00 1.70 1.74 1.01 1.06 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 48 E 7.77 4.16 0.00 2.13 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 2.33 2.47 0.00 49 G 7.99 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 50 F 8.67 4.89 0.00 3.21 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 51 K 8.51 4.08 0.00 2.09 2.08 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.22 7.81 52 E 8.11 4.01 0.00 2.27 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 2.61 2.51 0.00 53 K 8.52 4.22 0.00 2.16 2.42 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.80 1.92 7.81 54 Y 8.61 3.89 0.00 3.08 3.02 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 55 M 8.24 4.27 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 56 E 7.82 4.11 0.00 1.97 1.84 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 2.31 2.62 0.00 57 F 7.23 4.31 0.00 2.74 2.67 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 58 D 8.19 4.51 0.00 2.59 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 59 L 8.14 4.60 0.00 1.67 1.48 0.92 0.50 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 60 N 8.80 4.68 0.00 2.87 2.92 0.00 0.00 6.61 6.61 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 61 G 8.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 4.61 0.00 2.89 2.87 0.00 0.00 7.12 7.20 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 63 G 8.54 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 0.00 0.00 0.00 64 D 7.88 5.11 0.00 2.64 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 65 I 7.92 4.07 0.56 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 0.46 0.19 0.31 0.00 0.00 66 D 8.10 5.16 0.00 2.74 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 67 I 8.43 3.69 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 1.78 0.82 0.95 0.00 0.00 68 M 7.98 4.10 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 69 S 8.65 4.06 0.00 3.88 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 70 L 8.16 4.28 0.00 2.03 1.85 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.28 3.89 0.00 2.00 2.04 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.48 7.81 72 R 8.12 3.83 0.00 1.90 2.17 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 73 M 8.00 3.78 0.00 2.16 1.37 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.26 0.00 74 L 8.16 4.02 0.00 1.76 1.97 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.17 3.97 0.00 2.24 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 2.33 2.58 0.00 76 K 7.60 4.05 0.00 1.80 1.81 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.61 7.81 77 L 7.35 4.46 0.00 1.69 1.69 0.92 0.86 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 78 G 7.79 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 0.00 0.00 0.00 79 V 7.71 4.35 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 0.88 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.43 0.00 2.22 2.05 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 81 K 8.24 4.67 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.37 7.81 82 T 9.26 4.20 4.27 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 1.29 0.00 0.00 83 H 8.75 4.09 0.00 3.27 3.38 0.00 5.87 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 84 L 7.92 3.98 0.00 1.82 1.66 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.14 4.03 0.00 2.36 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 2.34 2.36 0.00 86 L 8.14 4.06 0.00 1.85 1.74 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.87 3.98 0.00 2.02 1.85 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 88 K 7.86 3.94 0.00 1.75 2.02 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 89 L 8.02 4.14 0.00 1.97 1.74 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.95 3.96 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.98 1.09 0.00 0.00 91 G 8.24 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 0.00 0.00 0.00 92 E 7.69 4.18 0.00 1.98 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 0.00 2.24 2.31 0.00 93 V 7.36 4.13 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 0.56 0.00 0.00 0.47 0.00 0.00 94 S 8.29 4.55 0.00 4.05 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 95 S 9.14 4.61 0.00 4.04 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 96 G 7.42 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 0.00 0.00 0.00 0.00 97 S 9.09 4.34 0.00 3.89 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 98 G 7.38 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 0.00 0.00 0.00 99 E 8.11 5.96 0.00 2.04 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 0.00 2.07 2.07 0.00 100 T 7.10 5.00 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 1.17 0.00 0.00 101 F 8.36 5.29 0.00 3.24 3.15 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 0.00 102 S 8.94 5.25 0.00 4.04 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 0.00 103 Y 8.57 3.56 0.00 2.43 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 0.00 104 P 0.00 3.97 0.00 2.29 2.29 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 105 D 8.06 4.39 0.00 3.25 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 0.00 106 F 8.41 4.06 0.00 3.32 3.12 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 0.00 107 L 7.63 3.37 0.00 0.59 0.71 -0.50 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.59 4.02 0.00 1.94 2.07 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 109 M 7.47 4.02 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 110 M 7.42 3.70 0.00 0.57 1.14 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.00 111 L 8.41 4.53 0.00 1.44 1.48 -0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.57 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 0.00 113 K 8.58 4.18 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 114 R 7.82 4.02 0.00 1.90 1.92 0.00 2.98 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 1.58 1.62 0.00 115 S 8.27 4.45 0.00 3.83 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 0.00 116 A 8.00 4.38 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 0.00 117 I 8.50 3.64 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 1.53 0.78 0.92 0.00 0.00 118 L 7.85 4.00 0.00 1.72 1.57 1.07 0.55 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 0.00 119 K 7.87 3.80 0.00 1.72 1.90 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.35 7.81 120 M 7.61 4.10 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 121 I 7.54 3.89 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.95 0.00 0.00 122 L 8.04 4.21 0.00 1.67 1.87 1.32 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.02 4.23 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00