NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2884 0.0000 0.0000 61.8043 32.6161 174.9170 3 K 3.6701 8.5409 117.5772 55.9289 32.2729 175.8255 4 K 4.0412 8.8844 127.8433 57.0003 33.8920 175.2881 5 V 5.0461 8.2541 124.3236 61.1163 34.7313 174.4122 6 L 4.8473 8.6260 127.0227 52.9191 45.0938 175.6600 7 T 4.4763 8.6789 115.0164 61.3733 69.6077 174.2066 8 G 4.2302 9.4125 112.6570 45.0959 0.0000 171.9337 9 V 4.7535 8.1816 114.9596 59.5479 33.3781 176.3111 10 V 4.3059 8.3531 124.5174 63.5846 32.5682 177.0985 11 V 4.2420 8.1872 120.3143 62.3889 35.2348 174.6066 12 S 4.4315 7.8919 116.3011 58.0430 63.6898 173.4422 13 D 4.9001 8.3689 124.5312 52.9181 39.5757 178.2756 14 K 4.3119 7.9891 116.7671 57.7780 32.0867 176.3848 15 M 4.6822 7.3136 118.3019 53.2872 34.4152 175.4339 16 Q 4.1849 8.5133 119.9278 56.4556 29.5452 176.1969 17 K 4.1326 8.6645 122.3888 57.0809 30.4703 174.6829 18 T 5.1849 7.6372 111.4336 62.9721 72.8175 173.8640 19 V 4.7013 8.4688 116.4418 60.4808 36.7967 174.2339 20 T 4.6289 8.8168 122.3625 63.4199 70.1186 173.9593 21 V 4.6932 8.8397 125.0211 61.0888 34.9936 173.8911 22 L 4.9147 8.7451 130.7361 54.4363 43.2949 175.6430 23 V 4.7579 8.4559 118.2585 59.6853 35.3405 174.1517 24 E 5.1563 8.9585 125.1337 54.7451 31.0518 175.5632 25 R 4.9781 8.8986 120.7023 54.3166 32.9041 174.4657 26 Q 5.2163 8.7110 117.8854 53.7127 31.8027 174.1262 27 F 4.9059 7.8490 113.1636 55.3183 40.9249 171.3286 28 P 4.8112 0.0000 0.0000 62.8036 32.1044 175.8809 29 H 4.3434 9.1478 124.7113 55.3831 30.8121 174.3287 30 P 4.4681 0.0000 0.0000 63.9660 30.8249 175.7708 31 L 4.4958 7.9286 119.6962 56.9573 47.5021 176.1208 32 Y 4.4044 7.7057 113.8774 57.5203 38.2316 177.5396 33 G 4.0160 8.3009 106.7758 45.7736 0.0000 174.0940 34 K 4.0381 7.7915 121.5321 56.5361 33.6418 176.4707 35 V 4.3407 8.2975 125.8018 62.2890 30.6301 175.3972 36 I 4.1458 7.9874 120.9441 59.6936 39.9009 175.1199 37 K 4.7234 8.3408 123.3841 55.2502 34.6261 174.7860 38 R 4.9818 8.0569 127.4990 55.4283 34.3097 173.8671 39 S 4.8234 8.0441 112.0963 60.3308 65.5102 174.2684 40 K 4.3577 8.1117 117.8998 56.0943 35.2218 174.0825 41 K 4.9574 8.4051 123.2041 54.9435 34.1269 175.4186 42 Y 4.7450 8.6349 120.8795 56.1301 42.0755 174.3122 43 L 5.0910 8.6754 121.4511 53.3689 43.4059 175.7532 44 A 5.0652 8.9036 125.9018 50.2980 21.8472 174.7449 45 H 4.8116 9.0159 121.4104 55.8567 31.3278 174.1806 46 D 5.1007 8.5575 125.5981 51.6150 40.9103 173.7955 47 P 4.3421 0.0000 0.0000 64.3629 31.6776 178.1119 48 E 4.1828 8.3240 118.0165 56.2714 30.1789 177.0451 49 E 4.4099 8.2854 115.9619 56.8796 27.6016 175.7013 50 K 3.8967 7.5263 120.0141 59.3687 32.8151 176.8021 51 Y 4.2924 7.9608 117.9971 56.4658 36.6935 175.3884 52 K 4.6091 8.0829 125.2204 55.4103 34.8863 176.6413 53 L 3.9970 8.2322 119.9005 56.5577 42.4438 178.5582 54 G 4.0075 8.1560 112.5691 45.7546 0.0000 173.6435 55 D 4.6222 7.6283 120.8070 54.4371 41.9703 176.0379 56 V 4.1459 8.6068 125.0078 63.0061 32.6458 175.3796 57 V 4.9709 9.2009 120.3928 60.0617 36.8493 173.9108 58 E 5.0571 8.5141 120.8936 55.3116 31.9140 175.4731 59 I 5.1360 8.4280 121.9252 59.7402 41.8745 174.1279 60 I 5.2294 8.3888 122.4276 59.0184 41.7714 173.8714 61 E 3.1348 8.8288 130.2344 56.6529 29.8482 175.9482 62 S 4.5985 7.6703 121.5277 56.4299 67.7709 173.6381 63 R 3.7633 8.5744 120.1864 56.1768 29.9720 174.0475 64 P 4.2241 0.0000 0.0000 63.3633 31.6512 176.1708 65 I 4.0148 8.4199 125.2459 63.2341 37.6230 175.7494 66 S 4.5500 7.4532 110.5125 56.7698 65.5493 172.6818 67 K 3.8544 8.7307 120.3277 59.6185 32.2174 177.4648 68 R 4.4927 7.1101 117.1666 52.8216 29.4747 175.9351 69 K 4.4190 7.0518 113.9484 56.0825 34.2544 174.4453 70 R 4.7480 8.2268 130.2208 55.2462 31.0201 174.6761 71 F 5.2874 8.1718 115.3180 56.4591 44.4675 174.2927 72 R 5.1140 8.5415 117.4330 54.5833 34.7501 175.2511 73 V 3.8151 7.9100 119.9483 63.1623 31.9929 174.4452 74 L 4.7181 7.8057 124.3432 55.0956 43.7099 176.4348 75 R 4.9925 7.2173 111.7195 55.7586 31.9133 173.2232 76 L 4.4864 9.0838 122.9862 55.6756 42.5672 176.1948 77 V 4.4507 8.5705 122.8179 64.0936 34.0480 175.6443 78 E 4.4704 7.6855 114.3066 55.9508 31.7041 175.9825 79 S 4.1540 9.1562 117.6735 60.3965 63.1714 174.1320 80 G 3.7656 7.7134 118.6772 46.7733 0.0000 173.9929 81 R 4.8484 7.8746 128.4115 54.1243 31.4639 177.8772 82 M 4.2538 8.3419 120.4180 58.0898 32.1587 177.5106 83 D 4.3623 8.1316 119.3327 56.6269 38.9147 178.6800 84 L 4.1174 7.6418 118.8999 57.4358 41.5522 179.4661 85 V 3.6475 7.7519 117.7756 65.8887 31.3024 177.6302 86 E 3.9641 8.3778 118.5750 59.6309 29.2639 179.2676 87 K 3.6187 7.7768 118.3368 59.8294 31.9452 178.7602 88 Y 3.9796 7.7135 118.8157 60.7336 38.9573 177.6734 89 L 4.0162 8.4292 120.2645 57.7413 41.5239 179.6517 90 I 3.6691 8.5615 120.7812 64.2460 36.8045 178.3513 91 R 3.5645 7.2675 118.6373 59.2048 30.1242 178.5997 92 R 3.6623 7.2500 118.0369 59.1958 30.2469 178.9445 93 Q 4.0010 7.7141 117.2539 59.0453 28.6121 178.7620 94 N 4.4745 7.7511 117.5858 56.1724 38.8635 177.0236 95 Y 4.4741 7.4412 117.9429 61.1491 37.6614 178.3804 96 Q 3.9293 7.7692 118.7994 57.9719 29.1862 176.9808 97 S 4.8511 7.7526 114.5279 58.5211 64.6194 174.9458 98 L 4.6514 7.8444 123.1062 56.7883 44.5137 178.2231 99 S 4.4906 7.2422 111.5834 57.6987 64.1185 174.3381 100 K 4.1773 8.4851 119.2631 57.1577 32.4799 175.7784 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 2 P 0.00 4.29 0.00 2.18 2.16 0.00 3.74 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 1.88 1.99 0.00 3 K 8.54 3.67 0.00 1.72 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 8.88 4.04 0.00 1.87 1.76 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.46 7.81 5 V 8.25 5.05 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 0.88 0.00 0.00 1.00 0.00 0.00 6 L 8.63 4.85 0.00 1.40 1.37 0.21 0.28 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 7 T 8.68 4.48 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 8 G 9.41 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 0.00 0.00 0.00 0.00 9 V 8.18 4.75 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 0.65 0.00 0.00 0.95 0.00 0.00 10 V 8.35 4.31 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 1.00 0.00 0.00 1.06 0.00 0.00 11 V 8.19 4.24 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 0.20 0.00 0.00 0.12 0.00 0.00 12 S 7.89 4.43 0.00 3.84 3.69 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 13 D 8.37 4.90 0.00 2.87 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 14 K 7.99 4.31 0.00 1.76 1.90 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 15 M 7.31 4.68 0.00 2.01 1.97 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 2.55 2.49 0.00 16 Q 8.51 4.18 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 17 K 8.66 4.13 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 18 T 7.64 5.18 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 1.30 0.00 0.00 19 V 8.47 4.70 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 0.79 0.00 0.00 0.91 0.00 0.00 20 T 8.82 4.63 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 1.14 0.00 0.00 21 V 8.84 4.69 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 0.97 0.00 0.00 0.87 0.00 0.00 22 L 8.75 4.91 0.00 1.68 1.44 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.46 4.76 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 0.86 0.00 0.00 1.16 0.00 0.00 24 E 8.96 5.16 0.00 1.87 1.90 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 2.27 2.32 0.00 25 R 8.90 4.98 0.00 1.97 2.06 0.00 2.86 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 26 Q 8.71 5.22 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 27 F 7.85 4.91 0.00 3.14 3.14 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 28 P 0.00 4.81 0.00 2.05 2.19 0.00 3.90 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 2.10 2.15 0.00 29 H 9.15 4.34 0.00 3.34 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.47 0.00 2.19 2.15 0.00 3.28 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 1.80 1.93 0.00 31 L 7.93 4.50 0.00 1.36 1.31 0.67 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.71 4.40 0.00 3.03 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 33 G 8.30 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 0.00 0.00 0.00 34 K 7.79 4.04 0.00 1.89 1.71 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.38 7.81 35 V 8.30 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 36 I 7.99 4.15 1.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.14 0.85 0.00 0.00 37 K 8.34 4.72 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.45 7.81 38 R 8.06 4.98 0.00 1.89 1.90 0.00 3.24 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 39 S 8.04 4.82 0.00 3.98 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 40 K 8.11 4.36 0.00 1.74 1.50 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.92 1.21 7.81 41 K 8.41 4.96 0.00 1.59 1.63 0.00 1.70 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.49 7.81 42 Y 8.63 4.74 0.00 2.67 2.50 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 43 L 8.68 5.09 0.00 1.71 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.90 5.07 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 45 H 9.02 4.81 0.00 3.30 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.56 5.10 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.23 2.20 0.00 3.78 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 48 E 8.32 4.18 0.00 2.06 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 2.36 2.35 0.00 49 E 8.29 4.41 0.00 2.15 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 2.25 2.24 0.00 50 K 7.53 3.90 0.00 1.50 1.79 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.32 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.31 7.81 51 Y 7.96 4.29 0.00 3.23 2.97 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 52 K 8.08 4.61 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.37 7.81 53 L 8.23 4.00 0.00 1.93 1.58 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.16 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 55 D 7.63 4.62 0.00 2.84 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 56 V 8.61 4.15 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 0.93 0.00 0.00 0.94 0.00 0.00 57 V 9.20 4.97 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 0.81 0.00 0.00 0.87 0.00 0.00 58 E 8.51 5.06 0.00 1.87 1.82 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 2.23 2.26 0.00 59 I 8.43 5.14 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.75 1.00 0.00 0.00 60 I 8.39 5.23 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.62 0.96 0.00 0.00 61 E 8.83 3.13 0.00 1.89 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 2.08 1.93 0.00 62 S 7.67 4.60 0.00 3.63 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 63 R 8.57 3.76 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 64 P 0.00 4.22 0.00 2.06 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 65 I 8.42 4.01 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.86 0.00 0.00 66 S 7.45 4.55 0.00 3.93 3.84 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 67 K 8.73 3.85 0.00 1.75 1.90 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 68 R 7.11 4.49 0.00 1.79 1.83 0.00 3.33 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 69 K 7.05 4.42 0.00 1.83 1.68 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.55 7.81 70 R 8.23 4.75 0.00 1.83 1.64 0.00 3.25 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 F 8.17 5.29 0.00 3.05 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 72 R 8.54 5.11 0.00 1.72 1.78 0.00 3.15 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 73 V 7.91 3.82 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 -0.68 0.00 0.00 0.77 0.00 0.00 74 L 7.81 4.72 0.00 1.71 1.65 0.94 0.92 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 75 R 7.22 4.99 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 76 L 9.08 4.49 0.00 1.84 1.69 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.57 4.45 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 0.87 0.00 0.00 0.95 0.00 0.00 78 E 7.69 4.47 0.00 2.03 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 2.22 2.25 0.00 79 S 9.16 4.15 0.00 3.85 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 80 G 7.71 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 0.00 0.00 0.00 81 R 7.87 4.85 0.00 2.06 1.87 0.00 3.77 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 82 M 8.34 4.25 0.00 2.03 2.12 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 2.54 0.00 83 D 8.13 4.36 0.00 2.87 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 84 L 7.64 4.12 0.00 1.89 1.77 0.93 0.78 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 85 V 7.75 3.65 2.28 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 1.19 0.00 0.00 0.99 0.00 0.00 86 E 8.38 3.96 0.00 2.24 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 2.57 2.51 0.00 87 K 7.78 3.62 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.63 7.81 88 Y 7.71 3.98 0.00 3.11 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 89 L 8.43 4.02 0.00 1.85 1.72 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.56 3.67 1.80 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 1.59 1.15 0.84 0.00 0.00 91 R 7.27 3.56 0.00 1.73 1.63 0.00 3.23 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 0.00 92 R 7.25 3.66 0.00 1.83 1.85 0.00 3.32 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 93 Q 7.71 4.00 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 94 N 7.75 4.47 0.00 2.60 2.80 0.00 0.00 6.93 7.40 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 95 Y 7.44 4.47 0.00 3.15 2.88 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 96 Q 7.77 3.93 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.45 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 97 S 7.75 4.85 0.00 4.07 3.92 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 98 L 7.84 4.65 0.00 1.65 1.72 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.24 4.49 0.00 4.02 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 0.00 100 K 8.49 4.18 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81