NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3224 0.0000 0.0000 61.6514 33.2360 176.6214 13 Y 4.3885 7.6809 114.8114 54.7950 39.5858 172.9554 14 P 4.3877 0.0000 0.0000 62.7728 32.7546 176.1425 15 Q 4.2942 8.4010 118.1194 55.3241 29.5573 177.1627 16 A 3.9876 8.7021 123.5436 54.2578 18.6669 175.7487 17 E 3.9715 8.0355 123.3037 56.0464 31.3986 174.2710 18 K 3.9450 8.6420 126.1332 56.8202 32.0830 174.3710 19 G 4.0693 9.6467 111.7111 44.7012 0.0000 172.1470 20 M 5.3601 7.9055 117.8232 53.3589 36.5433 173.9708 21 K 4.8465 9.2229 118.5268 55.3894 36.7962 174.8400 22 R 4.7577 8.5737 120.9499 54.6972 31.9404 175.0428 23 Q 4.6153 8.9259 125.0811 54.1135 32.2168 174.7965 24 V 4.8447 8.3884 116.2182 59.4710 35.2775 174.9470 25 I 4.2734 8.3008 124.2034 59.7262 39.9428 174.7787 26 Q 4.5777 8.5203 126.6798 53.5900 28.7639 175.2761 27 L 3.9549 8.0768 123.5156 54.6746 42.4364 177.1271 28 T 4.4185 8.2842 112.2293 59.6861 70.1150 172.9373 29 P 4.6145 0.0000 0.0000 62.6445 31.8906 175.4814 30 Q 4.6214 8.8624 119.8850 53.7506 32.0937 174.5160 31 E 3.8188 8.3563 117.9359 58.7775 29.9629 177.5874 32 D 4.7491 7.4365 124.3209 52.3482 41.2416 176.4915 33 E 4.0650 8.3139 122.8109 57.0421 29.8162 178.9024 34 S 4.3823 8.0669 113.6555 60.1402 63.7809 174.8373 35 T 4.4734 7.7278 110.7912 61.1927 68.7624 173.6293 36 L 5.4575 7.3039 119.5698 53.5045 44.9817 175.9252 37 K 4.9622 9.0826 119.3746 55.0286 37.3909 175.2285 38 V 4.9174 8.9561 122.4362 61.2073 34.5008 173.7349 39 E 5.1299 9.5532 129.0909 54.5235 31.8303 174.3535 40 L 4.8336 8.5204 127.4366 53.9178 43.1582 176.3502 41 L 4.6522 9.2664 124.7408 53.3238 43.5895 175.0719 42 I 4.7532 7.6553 125.0883 59.6000 39.8686 175.4720 43 G 3.7020 8.1945 112.2907 46.4829 0.0000 171.8941 44 Q 5.0569 7.7454 118.5046 54.4191 33.7032 175.1144 45 T 4.9091 8.7708 118.9678 63.3227 68.9221 174.1203 46 L 4.7665 8.8560 126.6368 52.8007 45.6137 175.5606 47 E 4.8550 8.6360 121.7139 55.1865 30.5395 174.9780 48 V 4.5307 9.0058 120.3858 59.7158 36.1954 174.3934 49 D 5.1641 8.2096 121.0431 52.7356 41.1056 175.1806 50 C 4.4725 8.6935 112.2701 57.2175 42.2255 173.2756 51 N 4.6136 8.4045 118.7628 52.8500 39.0785 174.1433 52 L 4.3979 8.6496 120.2317 54.7260 42.6868 175.9144 53 H 5.3142 8.8566 121.2802 53.9787 31.3417 174.1329 54 R 4.5727 8.5992 122.4530 54.5315 32.8260 174.5929 55 L 4.7636 8.6581 128.4477 54.4067 44.0348 174.7842 56 G 4.1681 9.4022 107.8792 44.0344 0.0000 170.7301 57 G 4.1182 8.2697 106.9690 43.6977 0.0000 173.4680 58 K 4.5244 7.8962 126.1255 53.0228 34.3600 175.5127 59 L 4.9343 8.6172 127.6125 52.9773 43.1522 175.1347 60 E 4.7484 9.4462 126.7463 54.6411 32.3125 174.6135 61 N 4.8303 8.8129 124.7892 53.0436 39.8551 174.7933 62 K 4.5968 8.1846 131.6725 54.2159 35.4146 173.0593 63 T 4.7210 8.0073 112.5254 59.2070 73.8774 172.0085 *70 A 4.2405 8.5822 127.1956 49.8668 19.5445 176.6704 71 Y 4.1487 9.6104 134.6745 58.9779 37.2058 165.8962 72 Y 5.2622 9.2052 124.0903 56.0282 42.6630 174.8430 73 V 4.9973 9.1240 123.2297 61.2486 34.2915 173.7206 74 F 5.3711 9.4133 131.5962 56.8231 41.3865 174.2958 75 D 4.3929 8.0742 124.7185 52.5702 43.2961 174.4902 76 K 3.5622 8.4524 113.4931 57.5721 29.0459 176.1216 77 V 4.0755 7.6712 118.1941 63.4190 32.1491 176.1129 78 S 4.7362 8.0228 123.2108 57.2304 64.7514 174.0366 79 S 4.5051 8.4363 117.2112 57.5918 63.6309 172.8615 80 P 4.5690 0.0000 0.0000 63.1754 31.5051 176.5347 81 V 4.1908 8.4536 118.7662 61.2375 33.0469 175.5503 82 S 5.6111 8.3936 115.6218 56.8997 65.8470 173.8427 83 T 4.1120 8.3786 111.2236 61.2433 69.6816 174.3515 84 R 4.5999 8.1136 120.1967 55.8440 30.4166 175.9887 85 M 4.4776 8.0969 114.3039 53.5265 33.6344 175.7939 86 A 4.4221 8.1863 122.4189 51.7547 19.9988 177.5390 87 C 5.0595 8.2137 116.4718 54.3077 43.1543 172.6564 88 P 4.4287 0.0000 0.0000 65.3933 31.5226 175.9565 89 D 5.1756 7.8099 118.1943 52.5424 40.8096 176.3106 90 G 3.9197 8.6983 111.7242 45.8316 0.0000 173.4118 91 K 3.9686 8.2217 123.7424 55.0228 31.0380 181.7961 92 K 4.5592 8.4236 129.4339 53.5833 32.4738 173.3162 93 E 4.4458 8.9357 127.0733 54.2453 31.8025 175.1317 94 K 4.9880 8.6122 126.3665 55.9838 33.0550 176.8799 95 K 4.7521 9.0339 128.3027 53.1205 36.6696 171.9974 96 F 4.9483 8.9053 124.2473 57.9404 39.8657 174.8889 97 V 4.1103 8.5877 128.6613 61.8633 32.8188 175.1566 98 T 4.7220 8.2238 117.6969 60.1789 71.5057 173.3969 99 A 4.9437 8.2980 124.6600 50.1160 20.5905 176.8370 100 Y 4.3613 8.6414 122.0758 57.4368 38.9008 175.0790 101 L 4.1633 8.3018 127.8322 54.8130 43.8575 178.3477 102 G 3.6235 6.8725 106.0593 45.8114 0.0000 175.9177 103 D 4.3690 8.5010 120.4228 56.5001 41.1601 178.2292 104 A 3.9346 7.9657 121.1188 54.3361 18.7026 178.0617 105 G 3.7408 7.6439 102.4248 45.5219 0.0000 172.3557 106 M 4.7713 7.8320 120.9610 53.9506 33.0528 175.1547 107 L 4.8926 8.8845 126.0878 52.5735 45.8431 175.8257 108 R 4.4413 8.4200 120.9106 56.2532 31.1235 175.3886 109 Y 4.2077 8.6554 127.2465 57.0812 39.2166 174.5823 110 N 5.1064 8.3961 126.0507 51.8881 41.2184 174.8851 111 S 4.2243 9.3859 121.8832 60.5021 63.7358 176.8990 112 K 4.0860 8.4285 120.3654 58.5737 32.0170 176.9657 113 L 4.7771 7.1390 117.8238 52.1273 43.6083 174.3648 114 P 4.6911 0.0000 0.0000 62.4332 33.0632 175.2340 115 I 4.3389 8.0849 122.5934 60.2413 39.0595 174.8552 116 V 4.5250 8.3779 126.1327 60.9632 34.2313 173.9770 117 V 4.9229 8.9110 128.2025 61.3028 34.5047 173.6036 118 Y 5.2996 9.4974 125.9653 56.6934 39.9204 174.9242 119 T 5.5317 8.5446 113.4860 57.7690 73.1852 172.0192 120 P 4.8641 0.0000 0.0000 62.3085 31.9588 177.4618 121 D 4.4857 8.3615 119.6910 55.8757 39.1866 177.1246 122 N 4.8365 8.1567 115.4305 52.2995 37.6884 174.1360 123 V 4.6810 7.5797 118.0691 61.6397 33.9431 174.5407 124 D 5.1623 9.4067 126.7502 52.5806 44.1789 175.1879 125 V 4.8874 8.4306 120.2722 61.3238 34.0999 174.5623 126 K 4.9310 9.2595 126.5014 55.4203 36.8281 174.0698 127 Y 5.2696 7.7461 116.8951 56.8779 40.3432 173.7415 128 R 4.7241 8.8371 115.6357 54.9547 33.3011 174.3467 129 V 5.1357 8.4767 113.4086 60.0573 34.0417 175.2126 130 W 4.8232 9.5320 125.5522 55.4827 32.1350 175.3718 131 K 5.2086 8.7288 126.6121 53.2591 34.0650 173.7916 132 A 4.4092 8.8151 126.8829 50.9318 19.3186 177.2347 133 E 4.2983 8.6419 120.0203 55.3809 30.7437 176.8056 134 E 4.0122 8.9576 125.7930 59.6634 29.9876 178.6164 135 K 4.1939 7.9106 119.2185 54.5201 32.3452 178.1179 136 I 4.6893 8.1650 123.0203 58.8748 40.3154 174.5266 137 D 5.0516 8.5267 122.7872 52.5878 44.3298 174.7413 138 N 4.9010 8.3328 116.9692 51.4673 40.7100 175.1283 139 A 4.2774 8.2542 123.5471 51.7854 19.5051 177.0128 140 V 4.1914 7.9427 119.0562 60.7951 32.9684 175.5355 141 V 3.7921 8.4876 130.0765 63.3387 31.4405 176.4612 142 R 4.2419 8.2779 124.9500 56.5443 30.2825 171.2585 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 12 P 0.00 4.32 0.00 2.11 2.03 0.00 3.70 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 1.84 1.62 0.00 13 Y 7.68 4.39 0.00 3.04 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 14 P 0.00 4.39 0.00 1.76 1.87 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 15 Q 8.40 4.29 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 16 A 8.70 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 3.97 0.00 2.04 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 2.16 2.29 0.00 18 K 8.64 3.95 0.00 1.81 1.64 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.04 7.81 19 G 9.65 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 20 M 7.91 5.36 0.00 2.18 2.27 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 2.58 2.53 0.00 21 K 9.22 4.85 0.00 1.75 1.89 0.00 1.30 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.39 7.81 22 R 8.57 4.76 0.00 1.87 1.82 0.00 3.02 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.00 23 Q 8.93 4.62 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.51 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 V 8.39 4.84 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 0.53 0.00 0.00 0.85 0.00 0.00 25 I 8.30 4.27 1.52 0.00 0.00 0.47 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 0.57 0.03 0.00 0.00 26 Q 8.52 4.58 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 27 L 8.08 3.95 0.00 1.34 1.08 0.13 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.28 4.42 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 1.27 0.00 0.00 29 P 0.00 4.61 0.00 2.10 2.10 0.00 3.72 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 30 Q 8.86 4.62 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 31 E 8.36 3.82 0.00 1.92 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 2.31 2.25 0.00 32 D 7.44 4.75 0.00 2.69 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 33 E 8.31 4.06 0.00 2.12 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 0.00 2.26 2.41 0.00 34 S 8.07 4.38 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 35 T 7.73 4.47 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 1.27 0.00 0.00 36 L 7.30 5.46 0.00 1.29 1.52 0.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.08 4.96 0.00 1.73 1.62 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 38 V 8.96 4.92 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 0.79 0.00 0.00 0.83 0.00 0.00 39 E 9.55 5.13 0.00 2.25 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 0.00 2.33 2.32 0.00 40 L 8.52 4.83 0.00 1.48 1.50 0.56 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.27 4.65 0.00 1.77 1.82 1.00 0.70 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 42 I 7.66 4.75 1.25 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.03 0.00 0.00 43 G 8.19 3.70 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 0.00 0.00 0.00 44 Q 7.75 5.06 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 45 T 8.77 4.91 4.33 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 1.26 0.00 0.00 46 L 8.86 4.77 0.00 1.53 1.51 0.91 0.54 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 47 E 8.64 4.85 0.00 1.96 1.86 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 2.20 2.31 0.00 48 V 9.01 4.53 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 0.54 0.00 0.00 0.86 0.00 0.00 49 D 8.21 5.16 0.00 2.77 2.71 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 50 C 8.69 4.47 0.00 3.11 3.26 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 51 N 8.40 4.61 0.00 2.94 2.73 0.00 0.00 6.96 8.61 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 52 L 8.65 4.40 0.00 1.55 1.57 0.90 1.44 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 53 H 8.86 5.31 0.00 2.99 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.60 4.57 0.00 1.85 1.71 0.00 3.05 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 55 L 8.66 4.76 0.00 1.82 1.61 1.06 0.91 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 56 G 9.40 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 0.00 0.00 0.00 0.00 57 G 8.27 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 0.00 0.00 0.00 0.00 58 K 7.90 4.52 0.00 1.47 1.68 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.22 7.81 59 L 8.62 4.93 0.00 1.88 1.70 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.45 4.75 0.00 1.87 1.77 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 2.22 2.20 0.00 61 N 8.81 4.83 0.00 2.78 2.66 0.00 0.00 6.71 6.68 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 62 K 8.18 4.60 0.00 1.55 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.22 7.81 63 T 8.01 4.72 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 *70 A 8.58 4.24 1.29 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 0.00 0.00 0.00 71 Y 9.61 4.15 0.00 3.35 3.28 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 0.00 0.00 0.00 0.00 72 Y 9.21 5.26 0.00 2.93 2.83 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 73 V 9.12 5.00 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 0.85 0.00 0.00 1.04 0.00 0.00 74 F 9.41 5.37 0.00 3.21 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 75 D 8.07 4.39 0.00 2.68 2.71 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 76 K 8.45 3.56 0.00 1.84 1.83 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.32 7.81 77 V 7.67 4.08 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 0.88 0.00 0.00 1.05 0.00 0.00 78 S 8.02 4.74 0.00 3.85 3.80 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 79 S 8.44 4.51 0.00 3.77 3.80 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 80 P 0.00 4.57 0.00 2.12 2.12 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 81 V 8.45 4.19 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 0.76 0.00 0.00 0.95 0.00 0.00 82 S 8.39 5.61 0.00 3.54 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.11 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 1.18 0.00 0.00 84 R 8.11 4.60 0.00 1.79 1.93 0.00 3.18 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 85 M 8.10 4.48 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 86 A 8.19 4.42 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 87 C 8.21 5.06 0.00 2.95 2.99 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 0.00 0.00 0.00 88 P 0.00 4.43 0.00 2.03 2.13 0.00 3.62 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 2.04 2.10 0.00 89 D 7.81 5.18 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 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 0.00 0.00 0.00 91 K 8.22 3.97 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 92 K 8.42 4.56 0.00 1.53 1.64 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.00 7.81 93 E 8.94 4.45 0.00 2.10 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 2.26 2.33 0.00 94 K 8.61 4.99 0.00 1.68 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 95 K 9.03 4.75 0.00 1.37 1.60 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.22 7.81 96 F 8.91 4.95 0.00 2.93 3.04 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 97 V 8.59 4.11 1.97 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 0.92 0.00 0.00 0.88 0.00 0.00 98 T 8.22 4.72 4.16 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 1.02 0.00 0.00 99 A 8.30 4.94 1.37 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 0.00 0.00 100 Y 8.64 4.36 0.00 2.92 2.98 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 0.00 101 L 8.30 4.16 0.00 1.52 1.58 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.87 3.62 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 0.00 103 D 8.50 4.37 0.00 2.75 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 0.00 104 A 7.97 3.93 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 0.00 105 G 7.64 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 0.00 106 M 7.83 4.77 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 107 L 8.88 4.89 0.00 1.48 1.50 0.51 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.42 4.44 0.00 1.86 1.86 0.00 3.27 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 109 Y 8.66 4.21 0.00 3.12 3.01 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 0.00 110 N 8.40 5.11 0.00 2.83 2.63 0.00 0.00 6.90 7.63 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 0.00 111 S 9.39 4.22 0.00 4.21 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 0.00 112 K 8.43 4.09 0.00 1.90 1.94 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.44 7.81 113 L 7.14 4.78 0.00 1.67 1.61 0.97 1.08 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 0.00 114 P 0.00 4.69 0.00 1.99 2.15 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 115 I 8.08 4.34 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.89 0.00 0.00 116 V 8.38 4.52 1.56 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 0.37 0.00 0.00 -0.04 0.00 0.00 117 V 8.91 4.92 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 1.11 0.00 0.00 0.88 0.00 0.00 118 Y 9.50 5.30 0.00 3.03 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 0.00 119 T 8.54 5.53 4.43 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 0.00 0.00 0.00 1.31 0.00 0.00 120 P 0.00 4.86 0.00 2.29 2.08 0.00 3.84 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 121 D 8.36 4.49 0.00 2.81 2.86 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 0.00 122 N 8.16 4.84 0.00 2.88 2.98 0.00 0.00 5.79 7.68 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 0.00 123 V 7.58 4.68 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 1.10 0.00 0.00 124 D 9.41 5.16 0.00 2.90 2.52 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 0.00 0.00 0.00 0.00 125 V 8.43 4.89 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 0.80 0.00 0.00 0.89 0.00 0.00 126 K 9.26 4.93 0.00 1.60 1.50 0.00 1.27 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.03 0.85 7.81 127 Y 7.75 5.27 0.00 3.08 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 0.00 128 R 8.84 4.72 0.00 1.83 1.95 0.00 2.59 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 129 V 8.48 5.14 2.38 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 1.06 0.00 0.00 1.04 0.00 0.00 130 W 9.53 4.82 0.00 3.24 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 0.00 131 K 8.73 5.21 0.00 1.50 1.54 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.97 7.81 132 A 8.82 4.41 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 0.00 133 E 8.64 4.30 0.00 2.00 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 2.31 2.32 0.00 134 E 8.96 4.01 0.00 1.91 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 2.29 2.38 0.00 135 K 7.91 4.19 0.00 1.82 1.59 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.03 7.81 136 I 8.16 4.69 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 1.42 1.28 0.92 0.00 0.00 137 D 8.53 5.05 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.33 4.90 0.00 2.69 2.72 0.00 0.00 6.90 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 0.00 139 A 8.25 4.28 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 0.00 140 V 7.94 4.19 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 0.83 0.00 0.00 0.93 0.00 0.00 141 V 8.49 3.79 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 0.81 0.00 0.00 0.93 0.00 0.00 142 R 8.28 4.24 0.00 1.80 1.59 0.00 3.35 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 1.44 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.