NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9048 8.3393 109.7334 45.0453 0.0000 173.2967 4 S 4.0255 8.4107 116.9574 57.7106 64.0987 171.3295 5 Q 4.6898 9.1099 125.1456 54.8752 30.5962 175.7596 6 Y 4.9582 8.8092 119.5605 56.5944 43.0553 173.9069 7 F 5.3788 9.0778 118.7979 55.9452 42.0084 175.1805 8 L 4.7600 8.9426 123.1318 53.5639 45.7503 174.7561 9 K 5.0931 8.8086 125.2991 54.7356 34.5505 175.1883 10 V 4.7549 8.6289 124.8365 60.9550 34.8766 174.0711 11 L 4.9303 8.3640 127.0705 53.8345 42.8806 176.0546 12 I 4.4475 8.7095 124.8803 58.5615 39.9871 173.8219 13 P 4.4530 0.0000 0.0000 62.2108 31.5869 177.7537 14 S 4.2340 8.6308 116.4610 61.1878 63.1367 175.8647 15 Y 4.2819 7.8537 117.7841 58.7919 37.8438 176.0881 16 A 4.3385 7.3882 122.6599 52.6570 20.1549 179.1208 17 A 3.9771 7.8979 118.6585 55.1808 18.9511 179.8652 18 G 4.0023 8.4416 105.0668 48.8915 0.0000 175.3711 19 S 4.3747 7.6610 112.3752 59.1706 63.6299 175.0513 20 I 4.3287 7.6470 113.6183 62.7333 38.6973 177.3464 21 I 3.7353 8.1458 122.4852 63.8207 37.3180 177.5319 22 G 4.3807 8.1768 104.0249 45.6486 0.0000 172.7253 23 K 4.1313 8.4417 118.4415 57.4956 32.2644 177.9016 24 G 3.6889 9.9512 110.7948 46.2503 0.0000 174.2222 25 G 3.9285 8.3361 107.4144 45.0730 0.0000 175.4417 26 Q 3.9352 8.1816 121.5196 59.7787 28.4249 179.1356 27 T 3.8600 7.8040 115.7107 66.7596 68.7191 176.6159 28 I 3.6813 7.7025 120.4572 63.7375 37.9224 178.1711 29 V 3.4953 7.7871 119.3203 65.9424 31.4275 177.4866 30 Q 3.8765 7.9880 119.2966 59.3410 28.9304 178.3830 31 L 3.8864 7.7708 120.9370 58.1476 41.9641 179.0328 32 Q 3.9929 8.0713 117.8644 59.0123 28.4885 178.8505 33 K 3.9477 8.2938 118.7091 59.3364 32.1181 178.9386 34 E 4.1082 8.4803 117.8455 58.9375 29.7854 178.4358 35 T 4.2598 7.7499 108.6792 61.2908 69.6366 176.0815 36 G 3.8360 8.2340 108.7266 45.0576 0.0000 173.4226 37 A 4.4230 7.4930 120.7746 52.0678 19.5830 177.1419 38 T 4.6766 8.9501 116.8176 61.8908 71.0264 173.8677 39 I 5.0683 8.8758 126.6154 59.4355 40.5366 175.0367 40 K 4.6093 9.0803 126.2129 54.5869 35.1488 175.3921 41 L 5.1215 8.5548 125.2477 53.2491 43.1506 176.9087 42 S 4.4006 8.9643 117.7931 58.0359 63.9815 174.2635 43 K 4.1839 8.5829 120.0943 56.0606 32.6928 178.1944 44 S 4.0146 8.4302 115.3094 61.3072 62.1696 175.6944 45 K 3.6919 7.6990 116.0381 55.9519 32.1193 176.5576 46 D 4.4649 7.4591 121.6862 52.9746 39.5310 176.0221 47 F 5.3391 7.6053 121.4777 56.0744 41.2616 174.7145 48 Y 4.2548 9.1595 123.0489 57.0555 39.8577 173.1384 49 P 4.0388 0.0000 0.0000 63.1188 31.8537 176.0467 50 G 3.9271 8.9263 113.6460 46.7228 0.0000 172.5506 51 T 4.7469 8.0279 108.1178 60.2368 72.0499 173.2473 52 T 3.4440 8.1050 115.2976 62.9260 69.2608 173.8052 53 E 4.9054 7.7336 120.3204 54.6255 32.8175 176.5247 54 R 4.9836 9.0644 123.0714 55.9816 32.3308 175.2975 55 V 4.8531 8.6960 120.0069 61.3306 34.8242 173.9107 56 C 5.2468 9.0777 127.3160 57.6555 34.1766 172.5581 57 L 4.9529 9.2983 128.1003 54.0121 42.8529 175.9141 58 I 4.8963 8.9471 125.6216 59.4137 40.2635 174.5131 59 Q 4.5090 9.3460 127.9179 53.7261 32.1409 175.2016 60 G 3.8088 7.7901 113.0188 45.0186 0.0000 172.1220 61 T 4.7087 7.5299 110.8301 60.6195 70.8446 174.9106 62 I 3.6179 8.4907 122.6437 64.9827 37.0789 178.2822 63 E 3.9369 8.1974 118.1059 59.4508 29.3964 179.0850 64 A 4.0013 7.9741 120.6923 55.1181 18.2722 179.7949 65 L 3.9229 8.1520 117.5247 58.0808 41.6765 179.3083 66 N 4.3121 8.1931 116.2266 56.2481 38.4576 177.4257 67 A 3.9771 8.1867 122.0485 55.1583 18.6073 179.7195 68 V 3.5498 8.2826 117.1435 66.5890 31.5018 177.7380 69 H 4.2864 8.6659 118.2653 59.0191 29.7387 177.1970 70 G 3.7303 8.4530 108.0273 47.9218 0.0000 175.2925 71 F 4.0047 8.3811 123.0712 60.9459 39.4199 177.1929 72 I 3.6634 8.0081 119.1382 64.2980 36.9534 177.9024 73 A 3.9005 7.9089 121.7697 55.3006 17.9006 179.0906 74 E 3.7607 7.6112 115.6927 59.5837 30.0784 178.7949 75 K 3.9387 7.6744 118.2348 59.6502 31.8428 179.4220 76 I 3.7568 7.6629 119.1480 64.0917 37.1061 177.8519 77 R 4.2983 7.8379 117.0019 56.8963 30.7940 176.6085 78 E 4.4850 7.5546 117.8390 55.0688 29.1794 175.2477 79 M 3.8044 7.9541 122.9040 53.6774 33.5085 174.3910 80 P 4.1534 0.0000 0.0000 65.2381 31.1983 175.7184 *100 P 4.4791 0.0000 0.0000 62.2201 33.2433 178.2739 101 D 4.4466 8.1042 117.3300 57.4370 40.9217 178.6083 102 R 3.9934 7.9850 117.7321 58.0559 30.6208 177.6359 103 A 4.1257 7.5635 119.7045 55.0355 18.3621 177.8926 104 N 5.1551 8.0464 113.0560 52.9395 38.1228 174.5431 105 Q 5.1336 8.0553 116.7641 55.2113 32.4980 175.5996 106 V 4.5217 8.7191 114.7028 59.5083 35.3333 174.7454 107 K 5.1743 8.6242 123.7886 54.5439 34.8158 175.1555 108 I 4.9479 8.8458 118.1525 59.0721 41.4769 174.1814 109 I 4.7610 8.3672 124.3609 59.7767 38.6867 175.6600 110 V 4.5477 8.5949 120.5302 58.5073 35.1345 174.1126 111 P 5.1924 0.0000 0.0000 62.0449 32.1209 177.2875 112 N 4.3013 8.3295 117.7729 56.6984 38.4449 177.5704 113 S 4.1286 8.2392 116.1890 62.2991 62.9393 176.8323 114 T 3.8449 7.8673 111.0638 64.7476 68.4608 175.7191 115 A 4.0533 8.3310 124.3028 55.1726 17.9648 179.9089 116 G 3.5787 8.3790 104.1983 47.9113 0.0000 175.9455 117 L 4.1271 7.5713 120.1183 57.6156 41.7599 179.2397 118 I 3.8590 8.0694 119.3647 64.3084 37.1698 177.8243 119 I 3.7128 7.5693 121.0258 64.0471 37.4699 177.1630 120 G 4.2131 7.8637 103.6237 46.6780 0.0000 172.1070 121 K 4.1592 8.4557 121.2304 56.3461 31.5073 176.2450 122 G 4.0450 9.7579 117.2520 46.6336 0.0000 173.1256 123 G 3.8866 8.9614 105.4109 45.7228 0.0000 176.1142 124 A 3.9940 8.1086 123.5647 55.3128 18.1145 180.6784 125 T 3.8151 7.7662 113.5601 67.0244 68.7188 177.3847 126 V 3.6740 8.0237 114.3980 64.2575 31.4851 178.9237 127 K 3.9951 8.1499 118.1765 59.2432 31.8230 179.0860 128 A 3.9919 8.2616 121.2871 55.2937 18.3325 179.4209 129 I 3.6444 8.1785 118.5811 65.1833 37.1883 178.5832 130 M 4.3240 8.2184 120.5335 57.6530 31.5030 178.3945 131 E 3.9155 8.0843 118.6418 59.6461 29.9970 178.7353 132 Q 4.1374 8.2724 117.1547 58.3934 28.5122 178.2078 133 S 4.5612 8.4629 114.7000 57.8392 63.7010 176.0879 134 G 3.9080 8.1908 108.4757 45.5267 0.0000 173.0303 135 A 4.6653 7.6556 121.5480 50.7121 21.3187 176.7748 136 W 5.0834 9.1985 129.9007 55.9938 32.3857 174.6605 137 V 4.7768 8.5570 127.0404 60.0348 32.9757 175.1936 138 Q 4.4491 8.6424 121.7143 54.0992 33.4613 173.7058 139 L 4.7361 8.1687 120.9025 53.6357 44.2164 175.5030 140 S 4.0449 8.8725 119.0564 59.9743 62.5585 174.2840 *149 Q 4.3051 8.1365 116.0880 55.3655 30.6312 175.1502 150 N 5.6663 8.1917 114.7288 52.7548 43.8784 174.0436 151 R 5.0294 8.8061 116.5571 54.3492 33.4622 174.4887 152 V 4.3708 8.0462 120.4918 60.9949 33.4061 174.8446 153 V 4.4775 9.1254 126.5739 61.7576 33.2100 174.3491 154 T 4.9232 8.6361 125.4465 61.9068 70.5657 173.5889 155 V 4.6302 8.8713 127.1048 61.0408 34.1639 174.2700 156 S 5.0091 9.9658 121.7475 56.1439 65.7093 174.6125 157 G 3.9864 7.4877 112.5861 44.8952 0.0000 172.9659 158 E 4.2725 8.2535 119.3424 55.0967 31.6370 175.5894 159 P 4.2305 0.0000 0.0000 66.4462 31.4390 178.9110 160 E 4.2091 8.1660 116.2508 59.3263 29.3708 179.5033 161 Q 4.2078 7.8924 119.1593 58.4160 28.8360 178.1535 162 N 4.3006 8.5324 117.8499 56.4625 38.7932 177.2866 163 R 3.9071 8.4899 120.3767 59.4781 30.0689 178.4220 164 K 3.9399 8.1475 119.0724 59.4227 32.2047 178.7569 165 A 3.9943 8.0668 121.1524 55.1243 18.3175 179.7004 166 V 3.5004 8.1232 117.1786 66.0082 31.5396 177.7831 167 E 3.9009 8.0851 118.7361 59.3461 29.5306 178.9301 168 L 4.1545 7.7635 118.4600 57.7246 41.5904 179.5095 169 I 3.6580 8.1156 120.1540 64.5067 37.0933 178.4242 170 I 3.6074 8.1960 120.8760 64.5459 36.8000 178.1678 171 Q 3.9854 8.1109 120.1647 59.0837 28.5557 178.4425 172 K 4.0631 7.5965 117.8239 58.4893 32.6657 178.9723 173 I 3.8333 7.8230 120.8310 64.4365 36.8197 178.0044 174 Q 3.6609 8.0873 119.2897 58.9395 28.9404 177.5178 175 E 4.4415 7.6135 116.4635 55.7822 29.8881 175.8071 176 D 4.5997 7.2635 119.4093 52.5068 41.4853 174.2406 177 P 4.4993 0.0000 0.0000 62.9570 31.6435 175.6707 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 3 G 8.34 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 4 S 8.41 4.03 0.00 3.89 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 5 Q 9.11 4.69 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 6 Y 8.81 4.96 0.00 2.90 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 7 F 9.08 5.38 0.00 2.89 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 8 L 8.94 4.76 0.00 1.76 1.48 0.90 0.51 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 9 K 8.81 5.09 0.00 1.73 1.65 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 10 V 8.63 4.75 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 1.15 0.00 0.00 0.97 0.00 0.00 11 L 8.36 4.93 0.00 1.52 1.80 0.78 0.87 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 12 I 8.71 4.45 1.86 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 1.23 1.06 0.83 0.00 0.00 13 P 0.00 4.45 0.00 1.26 1.81 0.00 3.33 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 14 S 8.63 4.23 0.00 4.12 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 0.00 15 Y 7.85 4.28 0.00 3.04 3.17 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 16 A 7.39 4.34 0.97 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 0.00 0.00 17 A 7.90 3.98 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 18 G 8.44 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 0.00 0.00 0.00 19 S 7.66 4.37 0.00 4.02 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 20 I 7.65 4.33 2.07 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 1.46 0.57 1.03 0.00 0.00 21 I 8.15 3.74 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 1.25 0.81 0.93 0.00 0.00 22 G 8.18 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.44 4.13 0.00 1.85 1.77 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.46 7.81 24 G 9.95 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 0.00 0.00 0.00 25 G 8.34 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 26 Q 8.18 3.94 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 27 T 7.80 3.86 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 28 I 7.70 3.68 2.01 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 1.38 1.32 0.99 0.00 0.00 29 V 7.79 3.50 2.19 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 0.75 0.00 0.00 0.92 0.00 0.00 30 Q 7.99 3.88 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 31 L 7.77 3.89 0.00 1.43 1.62 0.60 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.07 3.99 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 33 K 8.29 3.95 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.57 7.81 34 E 8.48 4.11 0.00 2.04 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 0.00 2.24 2.27 0.00 35 T 7.75 4.26 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 1.20 0.00 0.00 36 G 8.23 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 0.00 0.00 0.00 37 A 7.49 4.42 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 38 T 8.95 4.68 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 1.19 0.00 0.00 39 I 8.88 5.07 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.92 0.00 0.00 40 K 9.08 4.61 0.00 1.74 1.70 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 41 L 8.55 5.12 0.00 1.52 1.60 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.96 4.40 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 43 K 8.58 4.18 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.34 7.81 44 S 8.43 4.01 0.00 3.82 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 45 K 7.70 3.69 0.00 1.58 1.53 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.23 7.81 46 D 7.46 4.46 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 47 F 7.61 5.34 0.00 3.00 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 48 Y 9.16 4.25 0.00 3.06 2.93 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 49 P 0.00 4.04 0.00 1.55 1.78 0.00 2.48 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.77 0.00 50 G 8.93 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 51 T 8.03 4.75 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 1.43 0.00 0.00 52 T 8.10 3.44 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 0.79 0.00 0.00 53 E 7.73 4.91 0.00 1.97 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 2.13 2.22 0.00 54 R 9.06 4.98 0.00 1.84 1.92 0.00 3.15 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 1.83 1.84 0.00 55 V 8.70 4.85 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 0.89 0.00 0.00 1.08 0.00 0.00 56 C 9.08 5.25 0.00 3.00 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 57 L 9.30 4.95 0.00 1.79 1.69 1.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.95 4.90 1.88 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 1.13 0.96 0.89 0.00 0.00 59 Q 9.35 4.51 0.00 1.26 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 60 G 7.79 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 0.00 0.00 0.00 61 T 7.53 4.71 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 1.22 0.00 0.00 62 I 8.49 3.62 1.84 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.83 0.00 0.00 63 E 8.20 3.94 0.00 2.05 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 2.40 2.44 0.00 64 A 7.97 4.00 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 65 L 8.15 3.92 0.00 1.83 1.73 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.19 4.31 0.00 2.98 2.89 0.00 0.00 6.97 7.77 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 67 A 8.19 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.28 3.55 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 1.01 0.00 0.00 0.91 0.00 0.00 69 H 8.67 4.29 0.00 3.25 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.45 3.73 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 0.00 0.00 0.00 71 F 8.38 4.00 0.00 3.17 3.24 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 72 I 8.01 3.66 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.89 0.00 0.00 73 A 7.91 3.90 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 74 E 7.61 3.76 0.00 2.00 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 0.00 2.20 2.28 0.00 75 K 7.67 3.94 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.47 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.92 1.32 7.81 76 I 7.66 3.76 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.35 0.93 0.00 0.00 77 R 7.84 4.30 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 78 E 7.55 4.48 0.00 2.02 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 2.21 2.35 0.00 79 M 7.95 3.80 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.79 0.00 80 P 0.00 4.15 0.00 2.08 2.02 0.00 2.94 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 *100 P 0.00 4.48 0.00 2.23 2.17 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 101 D 8.10 4.45 0.00 2.72 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 0.00 102 R 7.98 3.99 0.00 1.86 2.01 0.00 3.39 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 103 A 7.56 4.13 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.05 5.16 0.00 2.95 3.01 0.00 0.00 6.77 6.89 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 0.00 105 Q 8.06 5.13 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 106 V 8.72 4.52 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 0.75 0.00 0.00 0.90 0.00 0.00 107 K 8.62 5.17 0.00 1.60 1.60 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 108 I 8.85 4.95 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.82 0.00 0.00 109 I 8.37 4.76 1.74 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.73 0.00 0.00 110 V 8.59 4.55 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 0.72 0.00 0.00 0.98 0.00 0.00 111 P 0.00 5.19 0.00 2.17 1.97 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 112 N 8.33 4.30 0.00 2.86 2.88 0.00 0.00 7.26 7.45 0.00 0.00 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 S 8.24 4.13 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 0.00 114 T 7.87 3.84 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 1.35 0.00 0.00 115 A 8.33 4.05 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.38 3.58 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 0.00 0.00 0.00 117 L 7.57 4.13 0.00 1.76 1.73 0.92 0.66 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 0.00 118 I 8.07 3.86 1.85 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 1.50 0.55 0.89 0.00 0.00 119 I 7.57 3.71 1.87 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 1.23 0.75 0.92 0.00 0.00 120 G 7.86 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 0.00 0.00 0.00 0.00 121 K 8.46 4.16 0.00 1.81 1.74 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.50 7.81 122 G 9.76 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.96 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 0.00 124 A 8.11 3.99 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 0.00 125 T 7.77 3.82 4.47 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 1.26 0.00 0.00 126 V 8.02 3.67 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 0.84 0.00 0.00 1.05 0.00 0.00 127 K 8.15 4.00 0.00 2.17 1.87 0.00 1.62 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 128 A 8.26 3.99 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 0.00 129 I 8.18 3.64 2.04 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 1.52 0.79 0.91 0.00 0.00 130 M 8.22 4.32 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.70 0.00 131 E 8.08 3.92 0.00 2.16 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 2.51 0.00 132 Q 8.27 4.14 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 133 S 8.46 4.56 0.00 4.27 4.11 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 0.00 134 G 8.19 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 0.00 0.00 0.00 135 A 7.66 4.67 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 0.00 136 W 9.20 5.08 0.00 3.24 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 0.00 137 V 8.56 4.78 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 0.81 0.00 0.00 0.85 0.00 0.00 138 Q 8.64 4.45 0.00 1.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 139 L 8.17 4.74 0.00 1.42 1.50 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.87 4.04 0.00 3.90 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 *149 Q 8.14 4.31 0.00 2.18 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 150 N 8.19 5.67 0.00 2.75 2.75 0.00 0.00 6.49 7.66 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 0.00 151 R 8.81 5.03 0.00 1.78 1.98 0.00 2.93 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 152 V 8.05 4.37 1.88 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 0.66 0.00 0.00 0.85 0.00 0.00 153 V 9.13 4.48 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 0.97 0.00 0.00 0.87 0.00 0.00 154 T 8.64 4.92 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 1.14 0.00 0.00 155 V 8.87 4.63 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 1.08 0.00 0.00 0.86 0.00 0.00 156 S 9.97 5.01 0.00 3.82 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 0.00 157 G 7.49 3.99 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 0.00 0.00 0.00 158 E 8.25 4.27 0.00 2.01 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 2.41 2.35 0.00 159 P 0.00 4.23 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 160 E 8.17 4.21 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 2.41 2.47 0.00 161 Q 7.89 4.21 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 162 N 8.53 4.30 0.00 2.88 2.89 0.00 0.00 6.69 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 0.00 163 R 8.49 3.91 0.00 1.89 2.17 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 164 K 8.15 3.94 0.00 2.05 1.95 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 165 A 8.07 3.99 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 0.00 166 V 8.12 3.50 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 0.65 0.00 0.00 0.85 0.00 0.00 167 E 8.09 3.90 0.00 2.28 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 2.29 2.35 0.00 168 L 7.76 4.15 0.00 1.89 1.68 1.00 1.00 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 0.00 169 I 8.12 3.66 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.86 0.00 0.00 170 I 8.20 3.61 1.89 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 1.36 0.58 0.86 0.00 0.00 171 Q 8.11 3.99 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 172 K 7.60 4.06 0.00 1.95 1.83 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 173 I 7.82 3.83 2.01 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 1.40 0.98 0.95 0.00 0.00 174 Q 8.09 3.66 0.00 1.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 175 E 7.61 4.44 0.00 1.92 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 0.00 2.30 2.36 0.00 176 D 7.26 4.60 0.00 2.73 2.61 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 0.00 0.00 0.00 0.00 177 P 0.00 4.50 0.00 2.21 2.03 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.