NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3808 8.1776 115.2803 58.1154 63.7524 174.3730 2 I 3.5558 7.8382 118.2546 62.6606 37.9667 176.0358 3 Q 4.2303 8.1621 119.6192 57.0091 29.6521 177.6243 4 A 4.1949 7.1883 119.7547 53.6201 19.6779 178.2045 5 E 3.5052 7.5758 116.7625 56.2521 29.6066 178.0976 6 E 3.8457 8.4073 122.2145 58.6749 29.7963 177.7994 7 W 4.5208 7.0751 114.6758 56.9765 28.9944 174.9509 8 Y 5.0872 7.6605 122.2374 57.0746 37.3055 175.2217 9 F 4.4549 9.3007 126.4438 56.7856 40.6837 178.2922 10 G 3.4224 5.5308 111.0919 46.6644 0.0000 176.4744 11 K 4.8352 8.6010 119.7726 54.6835 30.2621 175.2155 12 I 4.6257 7.2273 114.1198 58.3570 40.9248 176.9891 13 T 4.2596 8.0783 112.3789 61.0644 71.0887 175.7003 14 R 3.7865 8.9530 121.7809 59.5579 30.0509 178.5922 15 R 3.8761 7.9303 117.9790 59.4445 30.0487 177.9306 16 E 3.9628 8.1786 119.2566 59.2508 29.6868 178.8147 17 S 4.0651 8.3106 114.5339 61.6741 62.9243 176.4451 18 E 3.9906 8.3284 122.1761 58.8408 28.9388 179.2027 19 R 3.8818 7.8107 118.0667 59.5339 30.2561 178.3119 20 L 4.1559 7.9210 117.5844 57.6992 41.7143 179.0585 21 L 4.2211 7.8822 117.2266 56.0487 42.5237 177.6993 22 L 4.5778 7.7557 120.3742 53.3418 41.0710 176.3575 23 N 4.8126 7.4261 117.4642 51.4510 40.6859 174.8200 24 A 4.1120 8.7873 128.9849 54.7836 18.5233 177.6028 25 E 4.2767 8.6394 114.0276 57.0011 30.1273 176.3851 26 N 4.4935 8.1645 118.2930 52.2564 39.1831 173.5968 27 P 4.5634 0.0000 0.0000 61.2942 32.6228 175.7536 28 R 4.0770 8.0794 118.5667 57.9287 30.3634 177.7811 29 G 4.1304 9.2168 109.5703 46.4989 0.0000 173.4227 30 T 4.6957 7.6516 117.2971 63.8948 69.7159 173.4437 31 F 5.8912 9.0710 119.6603 55.7464 42.2303 172.6789 32 L 4.7201 8.3063 116.9604 54.7609 43.5158 173.9059 33 V 5.1149 9.1672 120.9474 61.3130 34.3291 174.6610 34 R 5.0007 9.1551 123.4377 54.1774 33.5478 174.0554 35 E 4.7825 8.7791 118.7250 56.1635 30.2546 177.2374 36 S 4.3181 8.3619 117.7813 58.3405 62.5974 174.3420 37 E 4.1541 9.0122 126.5512 58.8866 29.5554 177.8215 38 T 4.3417 7.7950 105.9950 61.5422 70.3786 174.1679 39 T 4.4871 8.0144 120.3572 61.0235 70.3315 173.5681 40 K 4.1261 8.4850 126.6750 58.0232 33.1381 177.6066 41 G 3.7547 8.9054 110.1548 45.0507 0.0000 172.8283 42 A 4.6398 7.3464 120.7941 50.7240 22.0387 175.4458 43 Y 5.4250 8.5719 116.7277 56.5007 42.1355 174.3598 44 C 5.1362 9.4660 119.8640 58.1216 35.4473 172.3990 45 L 4.9436 9.5026 129.1559 54.2463 43.1229 175.0174 46 S 5.2560 9.1479 123.7099 56.9753 65.3441 173.7029 47 V 5.1001 8.7078 123.7128 61.2255 35.1510 174.6370 48 S 5.0653 9.2775 122.1942 58.0497 65.3635 172.2359 49 D 5.0698 8.9599 120.0978 53.6380 45.4870 173.3842 50 F 5.6129 8.7659 120.6906 58.1616 42.2321 172.3985 51 D 4.8064 7.5633 123.7067 52.1480 42.3961 175.9211 52 N 4.1734 8.8536 116.0964 56.0743 38.9331 177.0109 53 A 4.0982 8.1514 120.2612 54.7826 18.8228 178.5220 54 K 4.0968 8.4732 113.2010 56.0676 33.6081 179.1505 55 G 3.1970 7.6420 107.8078 44.8136 0.0000 171.6526 56 L 4.9287 8.3766 123.7755 54.9644 42.9242 177.1124 57 N 5.0959 9.1773 122.6634 51.8090 41.5528 172.9758 58 V 4.8582 8.2356 117.7876 61.0222 34.4497 174.5221 59 K 4.5999 9.0009 125.5868 54.8221 35.8179 174.7457 60 H 5.1268 8.0823 118.4938 54.2163 32.4477 172.4686 61 Y 4.6933 8.7396 120.1867 55.7368 41.0779 174.9733 62 K 4.5648 8.8811 126.3414 56.4852 34.0025 175.4030 63 I 4.7683 8.7812 128.1695 59.8545 39.3986 175.0313 64 R 4.5241 8.6188 127.1426 54.8166 32.1619 175.6982 65 K 4.5337 7.9847 121.9814 54.6869 35.0719 175.4391 66 L 4.5820 8.4941 127.2370 53.5417 43.2446 177.8058 67 D 4.3597 8.6904 121.2082 56.9547 41.1370 178.0003 68 S 4.1239 8.0003 113.0660 60.0017 62.5137 173.9602 69 G 3.9336 7.9242 109.2150 45.5903 0.0000 174.5995 70 G 4.0915 8.0981 106.9362 45.9996 0.0000 172.6432 71 F 5.4737 8.8906 119.3618 55.7658 42.5854 174.1246 72 Y 5.1209 8.4874 117.9000 57.2710 40.9339 175.0472 73 I 4.2723 9.0496 121.2057 62.5699 38.3309 176.2815 74 T 4.7797 7.7993 114.3213 59.8041 69.3520 174.6621 75 S 3.0108 8.4190 122.5717 59.9862 63.1029 175.2874 76 R 3.8749 7.3486 120.7085 58.6202 29.8998 176.3655 77 T 4.1506 7.6969 113.1026 61.7013 69.6760 172.9523 78 Q 4.8245 7.6656 123.9859 53.9573 31.5973 175.2625 79 F 4.9300 8.7031 117.0811 55.8784 42.9102 176.0993 80 N 4.7264 8.9997 120.0682 55.4561 39.0381 175.7565 81 S 4.3788 7.5887 111.3394 55.7072 67.4052 174.8188 82 L 3.5214 7.2225 123.7882 58.0840 41.7195 179.1446 83 Q 4.1418 7.8554 117.6911 59.1484 28.6962 178.6074 84 Q 3.9251 8.1181 119.0613 58.5319 28.6917 178.5779 85 L 2.4547 7.4734 121.5161 57.5760 41.9065 179.1692 86 V 3.1708 7.4666 117.0268 65.6735 31.7666 177.3329 87 A 4.0281 7.9205 120.7110 55.3855 18.2171 178.8876 88 Y 3.7711 7.7207 117.8589 61.0424 38.8229 177.6650 89 Y 4.3770 7.6525 117.2158 59.0397 37.8235 177.3372 90 S 4.6606 7.3808 116.3705 58.7583 63.2693 174.6496 91 K 4.2661 7.4941 119.0958 56.4171 34.0686 176.0274 92 H 4.6366 7.7279 115.5312 53.6314 31.9812 174.3298 93 A 4.1586 8.6967 127.0229 53.5686 19.9411 179.5305 94 D 4.4385 7.7126 113.1272 55.9321 40.5247 174.7234 95 G 3.9819 8.9382 116.0089 46.2032 0.0000 173.2326 96 L 4.0783 7.9756 121.4855 53.5138 42.4158 177.8554 97 C 4.4208 8.6954 115.3540 61.3848 29.7027 173.5093 98 H 4.4327 7.1416 117.0024 54.9566 32.6838 173.6770 99 R 4.1413 7.6577 120.6666 55.7712 30.0362 175.8654 100 L 4.2554 8.5672 120.7336 55.1835 41.5226 176.3356 101 T 4.5716 8.4752 113.7352 62.7886 70.0691 174.3497 102 T 4.8786 7.6645 118.0863 60.2524 73.3137 172.9983 103 V 3.3797 8.4105 124.8263 62.8268 32.2385 175.2537 104 C 4.1849 8.5111 128.7562 59.2530 31.8143 171.8168 105 P 4.6463 0.0000 0.0000 62.2938 32.0732 176.4621 106 T 4.2454 8.3323 115.5669 64.1019 68.4650 174.9790 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 8.18 4.38 0.00 3.83 3.72 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 0.00 0.00 0.00 0.00 2 I 7.84 3.56 1.39 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.26 0.82 0.00 0.00 3 Q 8.16 4.23 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 4 A 7.19 4.19 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 5 E 7.58 3.51 0.00 1.16 1.12 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 2.06 1.68 0.00 6 E 8.41 3.85 0.00 2.00 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 2.31 2.27 0.00 7 W 7.08 4.52 0.00 3.56 3.16 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 0.00 0.00 0.00 0.00 8 Y 7.66 5.09 0.00 2.88 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 9 F 9.30 4.45 0.00 2.75 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 10 G 5.53 3.42 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 0.00 0.00 0.00 0.00 11 K 8.60 4.84 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 12 I 7.23 4.63 1.93 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 1.54 0.88 0.99 0.00 0.00 13 T 8.08 4.26 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 1.22 0.00 0.00 14 R 8.95 3.79 0.00 1.79 2.04 0.00 2.99 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.00 15 R 7.93 3.88 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.18 3.96 0.00 2.16 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 0.00 2.35 2.41 0.00 17 S 8.31 4.07 0.00 4.03 4.09 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 0.00 0.00 0.00 18 E 8.33 3.99 0.00 2.22 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 2.52 0.00 19 R 7.81 3.88 0.00 1.93 2.12 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 20 L 7.92 4.16 0.00 1.80 1.71 1.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.88 4.22 0.00 1.66 1.71 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.76 4.58 0.00 1.71 1.67 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.43 4.81 0.00 2.71 2.67 0.00 0.00 6.91 8.54 0.00 0.00 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 8.79 4.11 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 25 E 8.64 4.28 0.00 2.16 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 2.29 2.26 0.00 26 N 8.16 4.49 0.00 2.79 2.77 0.00 0.00 6.99 7.56 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 27 P 0.00 4.56 0.00 2.17 1.95 0.00 3.61 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 2.10 2.07 0.00 28 R 8.08 4.08 0.00 1.52 1.71 0.00 3.39 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 1.82 1.63 0.00 29 G 9.22 4.13 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 0.00 30 T 7.65 4.70 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 1.19 0.00 0.00 31 F 9.07 5.89 0.00 3.23 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 8.31 4.72 0.00 0.84 0.90 0.72 -0.23 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 33 V 9.17 5.11 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 1.29 0.00 0.00 0.99 0.00 0.00 34 R 9.16 5.00 0.00 1.97 1.98 0.00 2.98 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 35 E 8.78 4.78 0.00 1.99 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 2.59 2.51 0.00 36 S 8.36 4.32 0.00 3.95 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 37 E 9.01 4.15 0.00 1.98 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 2.31 2.28 0.00 38 T 7.80 4.34 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 39 T 8.01 4.49 4.22 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 1.17 0.00 0.00 40 K 8.49 4.13 0.00 1.83 1.80 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 41 G 8.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.35 4.64 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 43 Y 8.57 5.42 0.00 3.15 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 44 C 9.47 5.14 0.00 2.97 2.79 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 45 L 9.50 4.94 0.00 1.80 1.80 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.15 5.26 0.00 3.76 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 47 V 8.71 5.10 2.25 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 1.16 0.00 0.00 1.11 0.00 0.00 48 S 9.28 5.07 0.00 3.92 3.98 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 0.00 0.00 0.00 49 D 8.96 5.07 0.00 2.81 2.53 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 0.00 0.00 0.00 50 F 8.77 5.61 0.00 3.07 2.81 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 51 D 7.56 4.81 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 4.17 0.00 2.73 2.92 0.00 0.00 6.89 7.35 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 53 A 8.15 4.10 1.26 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 54 K 8.47 4.10 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.31 7.81 55 G 7.64 3.20 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 0.00 56 L 8.38 4.93 0.00 1.94 1.69 1.08 0.87 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 57 N 9.18 5.10 0.00 2.80 2.82 0.00 0.00 5.96 7.30 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 58 V 8.24 4.86 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 0.66 0.00 0.00 0.91 0.00 0.00 59 K 9.00 4.60 0.00 1.70 1.22 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.30 7.81 60 H 8.08 5.13 0.00 2.84 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.74 4.69 0.00 2.92 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 62 K 8.88 4.56 0.00 1.87 1.72 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.66 7.81 63 I 8.78 4.77 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.21 0.00 0.00 64 R 8.62 4.52 0.00 0.67 1.44 0.00 3.14 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 65 K 7.98 4.53 0.00 1.13 1.39 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.02 1.23 7.81 66 L 8.49 4.58 0.00 1.61 1.55 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.69 4.36 0.00 2.65 2.72 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 0.00 0.00 0.00 0.00 68 S 8.00 4.12 0.00 3.82 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 69 G 7.92 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 0.00 0.00 0.00 70 G 8.10 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.89 5.47 0.00 3.23 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 72 Y 8.49 5.12 0.00 3.38 3.09 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 0.00 0.00 0.00 73 I 9.05 4.27 1.87 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 1.28 1.36 0.95 0.00 0.00 74 T 7.80 4.78 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 1.31 0.00 0.00 75 S 8.42 3.01 0.00 3.45 3.18 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 76 R 7.35 3.87 0.00 1.71 1.95 0.00 3.19 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 77 T 7.70 4.15 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 0.79 0.00 0.00 78 Q 7.67 4.82 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 79 F 8.70 4.93 0.00 3.31 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 80 N 9.00 4.73 0.00 3.02 2.98 0.00 0.00 6.74 7.57 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 81 S 7.59 4.38 0.00 3.88 3.91 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 82 L 7.22 3.52 0.00 0.83 1.37 0.87 0.24 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 83 Q 7.86 4.14 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.71 2.89 0.00 84 Q 8.12 3.93 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 85 L 7.47 2.45 0.00 1.62 1.67 1.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.47 3.17 1.65 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 0.22 0.00 0.00 -0.06 0.00 0.00 87 A 7.92 4.03 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 88 Y 7.72 3.77 0.00 2.78 2.23 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 89 Y 7.65 4.38 0.00 2.97 2.79 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 90 S 7.38 4.66 0.00 3.93 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 91 K 7.49 4.27 0.00 1.48 1.36 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.23 7.81 92 H 7.73 4.64 0.00 2.42 2.99 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.70 4.16 1.26 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 94 D 7.71 4.44 0.00 3.07 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 95 G 8.94 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.98 4.08 0.00 1.62 1.29 0.43 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.70 4.42 0.00 3.39 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 98 H 7.14 4.43 0.00 3.30 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.66 4.14 0.00 2.04 1.92 0.00 3.13 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 100 L 8.57 4.26 0.00 1.19 0.34 0.07 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.48 4.57 4.31 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 1.35 0.00 0.00 102 T 7.66 4.88 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 1.23 0.00 0.00 103 V 8.41 3.38 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 0.89 0.00 0.00 0.91 0.00 0.00 104 C 8.51 4.18 0.00 2.85 2.53 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 0.00 0.00 0.00 105 P 0.00 4.65 0.00 2.11 1.98 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 106 T 8.33 4.25 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 1.18 0.00 0.00