NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0719 8.1849 120.5554 54.1838 43.6895 177.5920 3 W 4.7454 6.9840 117.5404 56.9761 29.2920 174.3045 4 K 4.5062 10.0346 123.4669 56.4083 34.0850 176.3951 5 K 4.6748 8.1023 116.9515 54.7655 34.3103 175.1902 6 T 4.2993 8.0897 115.8611 60.7870 68.5300 173.7568 7 F 4.7864 7.1118 121.1853 55.4152 40.3610 173.1056 8 T 4.7156 8.0835 111.3613 59.2653 72.8246 174.9562 9 L 4.0172 8.4913 121.1305 57.8568 41.6062 179.3772 10 E 3.9308 8.1718 118.9387 59.2400 29.5240 178.4593 11 N 4.2969 8.1164 116.4107 56.3609 38.7450 177.3612 12 L 3.8200 7.6528 119.7807 57.9469 41.4605 179.4628 13 N 4.3644 8.0773 115.3044 56.0234 38.8222 177.0574 14 Q 4.0555 8.0037 121.3710 58.9860 28.9363 177.8285 15 L 3.9366 7.9282 120.6800 58.1403 42.2249 177.9978 16 C 4.3781 7.7046 113.6553 59.2576 28.6143 174.1147 17 S 4.1682 7.0402 115.3262 58.6769 63.4342 173.0461 18 N 4.1067 8.6713 117.1818 54.1097 37.2680 172.3073 19 S 4.5107 7.7725 110.5081 56.2058 66.6032 174.4372 20 A 4.0329 8.5789 120.5300 55.2588 17.8488 179.9883 21 V 3.4681 7.6482 116.8853 66.3649 31.6540 178.5543 22 S 4.1794 7.9775 113.4124 61.5050 62.7622 175.5672 23 H 4.1566 8.1476 121.3041 58.6838 29.6455 176.2326 24 L 4.3723 7.7644 118.2509 53.9802 41.6363 177.2562 25 G 3.8873 7.8786 106.8653 46.0926 0.0000 173.9658 26 I 4.2411 7.5724 120.3504 60.8992 37.9616 175.3044 27 E 4.7452 8.9739 126.6597 54.2603 32.9158 174.4772 28 I 4.3041 9.0598 129.0461 61.6312 36.8598 175.8475 29 S 4.7244 8.6130 122.2486 59.1653 64.7284 173.9710 30 A 4.7150 7.9263 119.9037 51.7951 22.0287 174.8433 31 F 4.4067 8.3098 112.9873 55.9238 40.8224 174.0463 32 G 3.4676 7.3041 108.7000 43.8598 0.0000 172.1689 33 E 4.2767 8.8488 117.7367 58.9371 29.5905 177.2514 34 D 4.6406 7.7549 116.7884 51.8243 40.3343 174.5952 35 W 5.6546 7.8531 114.2240 56.9909 31.3737 172.6526 36 I 5.3172 9.1143 120.6732 59.9319 41.5446 173.4536 37 E 5.9800 10.2705 126.1378 53.7277 33.9620 174.6022 38 A 5.3208 8.4683 121.7819 50.8966 23.2508 175.6586 39 T 5.3176 8.9229 111.9028 58.6040 72.2170 171.3434 *41 P 4.4738 0.0000 0.0000 63.3517 32.7070 176.8076 42 V 4.2824 8.6825 122.1585 61.6369 31.7539 173.9570 43 D 4.7857 8.4789 127.0554 52.3224 42.3241 175.4269 44 H 4.1691 9.1066 112.8081 58.7067 28.4857 176.5931 45 R 3.9826 8.0575 119.2186 58.1087 30.7543 176.6994 46 T 4.4581 7.7970 107.5963 60.4512 68.8257 172.6727 *48 Q 4.1745 7.5142 120.6191 55.3210 30.2248 175.1499 49 P 4.3024 0.0000 0.0000 65.0784 31.1253 176.8875 50 F 4.7409 7.0765 113.0634 56.6252 37.9247 176.5334 51 G 3.9445 8.1485 108.1205 45.5956 0.0000 173.8216 52 V 4.6631 6.8261 110.9957 58.4940 35.3551 175.1750 53 L 3.9012 8.7114 124.9256 56.0610 42.7246 176.1969 54 H 4.1358 9.3299 127.1269 55.7411 30.3910 176.0006 55 G 3.5672 8.9907 113.6994 47.9663 0.0000 175.1945 56 G 3.7206 8.1896 107.3328 47.7286 0.0000 175.8814 57 V 3.6512 7.8486 120.1552 65.6731 31.5335 178.1467 58 S 4.1414 7.9965 115.2227 61.5148 62.5964 176.7848 59 V 3.6195 7.7537 120.3390 65.6866 31.2553 177.8774 60 A 3.9709 7.9605 120.7004 55.1175 18.2602 179.3373 61 L 3.8700 8.0938 118.5554 58.1297 42.1631 178.9696 62 A 3.9947 8.0645 120.7309 55.3371 18.3355 179.2947 63 E 3.8962 8.6018 118.1871 59.4959 29.6419 179.0243 64 T 3.7666 7.9474 115.8819 66.8181 68.6151 176.4843 65 I 3.7469 7.9240 120.4914 63.8138 37.9801 178.2466 66 G 3.3152 8.1398 106.8528 47.7127 0.0000 176.0300 67 S 3.9848 8.0759 117.7629 60.9248 62.8965 176.5503 68 L 3.7084 7.7388 122.8696 57.9890 41.6275 178.7449 69 A 3.9401 7.3903 119.4673 55.0527 18.5610 179.5168 70 G 3.8639 7.2299 104.2796 48.0496 0.0000 176.1383 71 S 4.2284 7.9021 116.6948 60.9728 62.9280 176.1512 72 L 4.2574 7.9431 121.2816 56.4239 41.1494 177.7574 73 C 4.8801 7.8372 115.4181 58.7190 28.6789 172.9762 74 L 4.8870 6.9604 120.2997 52.4741 44.1892 176.3102 75 E 4.2592 8.4244 120.1624 55.9291 30.1934 176.6080 76 E 4.1015 8.4380 120.1233 58.1673 29.8953 178.0824 77 G 4.0312 9.2095 110.0723 44.9507 0.0000 173.3253 78 K 4.8795 7.5293 117.6308 55.1428 35.8056 175.5730 79 T 4.6564 8.8006 116.5844 61.2785 71.2115 172.2832 80 V 5.1086 8.3417 113.1723 59.6534 35.7014 175.5498 81 V 4.3928 8.4703 121.3267 60.9094 34.7566 174.8331 82 G 3.8789 8.8493 115.5054 46.8232 0.0000 172.7665 83 L 4.6899 9.0082 126.3837 56.4773 42.7743 176.4640 84 D 4.7338 7.7872 115.6127 52.9158 42.5610 173.5498 85 I 5.0855 8.0093 118.1104 60.0858 41.2473 172.9018 86 N 5.2716 8.9279 123.7397 51.7046 41.2541 172.7061 87 A 4.9450 8.1544 118.0900 51.2720 22.4378 175.2945 88 N 4.8931 8.8496 117.8018 51.7123 41.7484 173.4423 89 H 5.0099 8.7043 120.9184 55.0297 29.2145 174.9872 90 L 4.5767 8.7931 124.5114 56.1409 42.7228 177.2562 91 R 4.5003 7.5241 111.4988 54.3951 31.4917 172.6304 92 P 4.4717 0.0000 0.0000 62.6630 32.4050 175.8617 93 V 4.3819 8.2175 119.0792 61.2909 33.8391 175.7812 94 R 4.5937 8.5623 121.8683 55.8014 30.4222 175.1606 95 S 4.5283 7.9156 111.4502 58.5761 66.3570 176.1250 96 G 3.8542 8.6400 108.2840 45.8797 0.0000 172.8009 97 K 4.8732 8.3980 120.9907 55.0487 36.1314 175.8852 98 V 4.6287 8.0350 112.4088 60.1027 35.0459 174.6972 99 T 5.0934 8.8567 119.2420 61.8283 71.6841 172.7915 100 A 5.0872 9.1240 129.0182 50.2070 21.7119 175.1328 101 R 5.2104 9.0236 123.4361 54.5422 32.6567 174.3068 102 A 5.5717 9.3197 129.0779 50.7614 21.2497 175.7124 103 T 5.2330 9.3586 112.7075 59.1694 72.4380 171.8385 104 P 3.4654 0.0000 0.0000 62.8672 31.7866 175.5897 105 I 4.1608 7.9018 122.5020 62.8372 39.0454 176.0662 106 N 4.5601 7.3704 118.4020 52.4510 42.4101 173.0302 107 L 4.7821 8.6290 126.3872 53.3147 43.5938 176.0323 108 G 4.1028 8.6080 114.3205 43.5180 0.0000 172.5867 109 R 4.1227 8.4865 117.1877 58.2471 30.4481 177.6371 110 N 4.9537 8.1776 113.5074 53.0853 41.2540 174.0300 111 I 5.2272 7.5177 117.3327 59.4820 41.6120 174.5805 112 Q 5.0701 9.3338 124.0347 54.1075 32.9341 174.5132 113 V 4.9506 8.7863 122.3256 60.9869 34.5351 174.2742 114 W 5.0215 9.5138 127.5601 54.8839 32.8167 174.0577 115 Q 5.0677 9.2487 124.6862 54.6471 31.0857 174.4386 116 I 5.0979 8.9735 126.3409 59.9923 40.9691 173.7406 117 D 5.3495 8.8324 127.2157 52.5287 43.5071 175.6113 118 I 5.0651 8.9286 124.3205 59.4505 39.9505 174.9149 119 R 5.2485 8.9246 123.1684 54.4450 33.1327 175.7216 120 T 4.5924 8.6858 111.8165 60.4293 70.2218 175.3146 121 E 3.9913 8.5845 118.4999 58.5885 29.4564 177.2645 122 E 4.3771 8.1979 118.8684 55.6764 29.5509 175.9558 123 N 4.2592 8.0833 115.1709 54.2281 36.7790 174.0214 124 K 4.4594 7.1620 113.9377 54.4058 33.7240 176.0649 125 L 4.4917 8.4912 125.8708 55.3153 42.4726 175.8894 126 C 4.8164 9.0256 120.6405 58.5727 32.2301 173.0954 127 C 5.2204 7.6946 118.4052 58.4921 34.8249 172.6820 128 V 4.9646 8.5390 118.1681 59.7443 34.9384 174.6384 129 S 5.1331 9.1855 118.3055 56.7161 66.7266 172.3717 130 R 5.1320 8.8505 123.4943 54.4459 33.4334 173.5613 131 L 5.2947 9.2139 127.7332 53.5911 45.5163 174.8251 132 T 5.1418 8.9166 122.5466 61.8928 70.9425 173.3717 133 L 5.3025 9.3626 126.1860 52.9695 45.7730 175.2293 134 S 5.1605 8.8328 116.4360 56.6797 64.8452 172.8952 135 V 4.7511 8.6727 127.7173 61.9449 32.3241 174.9380 136 I 4.7636 8.8583 120.6064 59.1176 41.7884 175.4077 137 N 4.6408 8.6151 118.4849 53.5777 38.6183 175.4128 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 L 8.18 4.07 0.00 0.38 1.25 0.62 0.41 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 3 W 6.98 4.75 0.00 3.46 3.32 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 4 K 10.03 4.51 0.00 1.92 1.92 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 5 K 8.10 4.67 0.00 1.88 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.67 7.81 6 T 8.09 4.30 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 1.22 0.00 0.00 7 F 7.11 4.79 0.00 2.90 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 8 T 8.08 4.72 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 9 L 8.49 4.02 0.00 1.78 1.81 1.07 0.92 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 10 E 8.17 3.93 0.00 2.04 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 0.00 2.37 2.40 0.00 11 N 8.12 4.30 0.00 3.02 2.83 0.00 0.00 7.04 6.74 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 12 L 7.65 3.82 0.00 1.70 1.49 0.19 0.10 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 13 N 8.08 4.36 0.00 2.67 2.86 0.00 0.00 7.03 7.25 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 14 Q 8.00 4.06 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 15 L 7.93 3.94 0.00 1.57 1.80 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.70 4.38 0.00 2.97 2.90 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 17 S 7.04 4.17 0.00 4.00 3.97 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 18 N 8.67 4.11 0.00 2.77 2.83 0.00 0.00 6.79 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 19 S 7.77 4.51 0.00 4.00 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 20 A 8.58 4.03 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 21 V 7.65 3.47 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 0.89 0.00 0.00 22 S 7.98 4.18 0.00 4.08 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 23 H 8.15 4.16 0.00 3.26 3.54 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.76 4.37 0.00 1.79 1.64 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.88 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 26 I 7.57 4.24 1.98 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 1.10 0.55 0.94 0.00 0.00 27 E 8.97 4.75 0.00 1.99 1.74 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 2.20 2.26 0.00 28 I 9.06 4.30 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.80 0.00 0.00 29 S 8.61 4.72 0.00 3.95 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 30 A 7.93 4.72 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.31 4.41 0.00 2.91 2.75 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 32 G 7.30 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.85 4.28 0.00 2.00 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 2.35 2.33 0.00 34 D 7.75 4.64 0.00 2.67 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 35 W 7.85 5.65 0.00 3.65 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 36 I 9.11 5.32 1.92 0.00 0.00 0.36 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 1.82 1.02 0.00 0.00 37 E 10.27 5.98 0.00 2.13 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 2.38 2.63 0.00 38 A 8.47 5.32 1.18 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 39 T 8.92 5.32 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 1.24 0.00 0.00 *41 P 0.00 4.47 0.00 2.09 2.12 0.00 3.83 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 1.94 0.00 42 V 8.68 4.28 2.15 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 0.82 0.00 0.00 0.94 0.00 0.00 43 D 8.48 4.79 0.00 2.81 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 44 H 9.11 4.17 0.00 3.26 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.06 3.98 0.00 1.84 1.89 0.00 3.12 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 46 T 7.80 4.46 4.20 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 1.20 0.00 0.00 *48 Q 7.51 4.17 0.00 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 49 P 0.00 4.30 0.00 2.25 2.21 0.00 3.54 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 2.19 2.05 0.00 50 F 7.08 4.74 0.00 3.19 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 51 G 8.15 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 52 V 6.83 4.66 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 0.82 0.00 0.00 0.96 0.00 0.00 53 L 8.71 3.90 0.00 1.55 1.57 0.96 1.02 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 54 H 9.33 4.14 0.00 3.24 3.15 0.00 5.66 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 55 G 8.99 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 56 G 8.19 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 0.00 0.00 0.00 57 V 7.85 3.65 2.20 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 1.02 0.00 0.00 0.78 0.00 0.00 58 S 8.00 4.14 0.00 4.16 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 59 V 7.75 3.62 2.30 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 1.08 0.00 0.00 1.07 0.00 0.00 60 A 7.96 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.87 0.00 1.77 1.87 0.92 0.90 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 62 A 8.06 3.99 1.43 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 0.00 0.00 0.00 63 E 8.60 3.90 0.00 2.01 1.94 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 2.28 2.33 0.00 64 T 7.95 3.77 4.37 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 1.15 0.00 0.00 65 I 7.92 3.75 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.20 1.00 0.00 0.00 66 G 8.14 3.32 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 0.00 67 S 8.08 3.98 0.00 3.82 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 68 L 7.74 3.71 0.00 1.69 1.58 0.67 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.39 3.94 0.53 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 0.00 0.00 70 G 7.23 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 0.00 0.00 0.00 71 S 7.90 4.23 0.00 4.06 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 72 L 7.94 4.26 0.00 1.94 1.75 -0.35 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.84 4.88 0.00 3.42 3.10 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 0.00 0.00 0.00 0.00 74 L 6.96 4.89 0.00 1.75 1.60 0.97 1.45 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 75 E 8.42 4.26 0.00 2.06 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 2.43 2.37 0.00 76 E 8.44 4.10 0.00 1.97 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 0.00 2.34 2.28 0.00 77 G 9.21 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.53 4.88 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 79 T 8.80 4.66 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 1.21 0.00 0.00 80 V 8.34 5.11 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 0.80 0.00 0.00 0.94 0.00 0.00 81 V 8.47 4.39 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 1.03 0.00 0.00 0.93 0.00 0.00 82 G 8.85 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 0.00 0.00 0.00 83 L 9.01 4.69 0.00 1.76 1.74 0.94 0.89 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 84 D 7.79 4.73 0.00 2.77 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 85 I 8.01 5.09 1.90 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 1.43 0.88 0.99 0.00 0.00 86 N 8.93 5.27 0.00 2.84 2.85 0.00 0.00 6.78 8.15 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 87 A 8.15 4.95 1.21 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 0.00 0.00 88 N 8.85 4.89 0.00 2.69 2.69 0.00 0.00 7.07 7.71 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 89 H 8.70 5.01 0.00 3.05 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.79 4.58 0.00 1.52 1.73 0.93 0.76 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 91 R 7.52 4.50 0.00 1.87 1.86 0.00 3.04 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 92 P 0.00 4.47 0.00 2.24 2.14 0.00 3.72 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 2.01 1.98 0.00 93 V 8.22 4.38 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 0.91 0.00 0.00 0.99 0.00 0.00 94 R 8.56 4.59 0.00 1.92 1.99 0.00 3.30 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 95 S 7.92 4.53 0.00 3.95 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 96 G 8.64 3.85 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 0.00 0.00 0.00 97 K 8.40 4.87 0.00 1.82 1.74 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.42 7.81 98 V 8.04 4.63 2.15 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 0.90 0.00 0.00 0.93 0.00 0.00 99 T 8.86 5.09 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 1.25 0.00 0.00 100 A 9.12 5.09 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 0.00 101 R 9.02 5.21 0.00 2.02 1.80 0.00 2.92 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 102 A 9.32 5.57 1.34 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 0.00 0.00 103 T 9.36 5.23 4.34 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 1.43 0.00 0.00 104 P 0.00 3.47 0.00 1.44 0.63 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 105 I 7.90 4.16 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 1.06 0.56 0.85 0.00 0.00 106 N 7.37 4.56 0.00 2.64 2.52 0.00 0.00 6.97 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 0.00 107 L 8.63 4.78 0.00 1.44 1.55 0.82 0.63 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 0.00 108 G 8.61 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.49 4.12 0.00 1.82 2.01 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.18 4.95 0.00 2.72 2.82 0.00 0.00 6.92 7.59 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 0.00 111 I 7.52 5.23 1.88 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 1.36 1.12 1.01 0.00 0.00 112 Q 9.33 5.07 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 V 8.79 4.95 2.02 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 1.08 0.00 0.00 0.93 0.00 0.00 114 W 9.51 5.02 0.00 3.31 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 0.00 115 Q 9.25 5.07 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 8.97 5.10 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.97 0.00 0.00 117 D 8.83 5.35 0.00 2.72 2.57 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 0.00 118 I 8.93 5.07 1.90 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 1.31 0.79 0.93 0.00 0.00 119 R 8.92 5.25 0.00 1.88 1.98 0.00 2.74 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 120 T 8.69 4.59 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 1.22 0.00 0.00 121 E 8.58 3.99 0.00 2.10 2.13 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 2.28 2.33 0.00 122 E 8.20 4.38 0.00 2.05 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 2.27 2.41 0.00 123 N 8.08 4.26 0.00 2.82 2.89 0.00 0.00 6.83 8.04 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 0.00 124 K 7.16 4.46 0.00 1.84 1.71 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.50 7.81 125 L 8.49 4.49 0.00 1.58 1.59 1.00 0.91 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 0.00 126 C 9.03 4.82 0.00 3.15 3.13 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 0.00 127 C 7.69 5.22 0.00 3.05 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 0.00 128 V 8.54 4.96 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 0.68 0.00 0.00 0.99 0.00 0.00 129 S 9.19 5.13 0.00 3.86 3.79 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 0.00 130 R 8.85 5.13 0.00 1.95 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 131 L 9.21 5.29 0.00 1.83 1.60 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.92 5.14 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 1.25 0.00 0.00 133 L 9.36 5.30 0.00 1.64 1.59 0.97 0.58 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 0.00 134 S 8.83 5.16 0.00 3.90 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 0.00 135 V 8.67 4.75 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 0.86 0.00 0.00 1.02 0.00 0.00 136 I 8.86 4.76 1.88 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 1.33 0.68 0.92 0.00 0.00 137 N 8.62 4.64 0.00 2.72 2.77 0.00 0.00 6.76 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 * Residues marked with a * may have inaccurate shift predictions.