NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1032 8.1832 117.5586 52.5261 38.8677 174.6779 2 L 4.1491 8.3817 117.0229 56.7751 41.4888 178.3268 3 F 4.0798 9.2692 121.8374 61.5274 39.5866 176.6898 4 Q 4.2350 8.5381 117.4690 58.6843 28.6133 178.0915 5 F 4.4084 8.5591 121.5619 61.2983 39.3921 177.0901 6 A 3.6537 8.2605 120.6808 55.0669 18.1232 179.8709 7 R 3.9261 7.7558 116.1167 59.2730 30.2184 179.2209 8 M 4.3370 8.3912 119.2086 58.5262 31.9068 178.5657 9 I 3.7011 7.8534 120.0223 64.7594 37.2264 178.2850 10 N 4.5146 8.2660 117.1437 55.9498 38.1256 177.6879 11 G 3.1770 8.0883 106.4202 46.6015 0.0000 175.1135 12 K 4.3337 7.9958 120.3409 57.8714 32.7161 177.6258 13 L 4.6497 8.2046 117.3787 53.1274 43.4448 175.9109 14 G 3.9214 7.2778 104.7972 43.5234 0.0000 172.7760 *16 A 3.7757 8.1454 122.0628 52.8776 19.6941 177.3290 17 F 4.4731 8.0747 118.0848 58.5290 37.1032 177.3601 18 S 4.2253 8.0683 119.0313 61.3259 62.4500 176.5767 19 V 3.5413 8.1734 122.4081 64.6728 30.5111 178.2474 20 W 4.4784 7.5256 117.4605 58.7183 29.0965 177.6929 21 N 4.4134 8.0950 115.7681 54.9757 37.7617 175.0053 22 Y 4.5512 7.4607 116.7425 57.6283 38.8325 176.8167 23 I 4.0375 7.8368 123.9699 64.3160 37.1726 175.8989 24 S 4.8458 7.8970 114.9471 58.0588 63.6409 172.3177 25 Y 4.6995 9.0868 129.2112 57.2301 42.0004 176.1176 26 G 3.7793 7.9567 117.3622 45.1443 0.0000 172.1309 27 C 4.4216 9.3750 114.7893 58.1436 40.7201 175.1484 28 Y 4.0278 8.6354 115.6212 58.7541 40.3787 175.7601 29 C 4.6720 8.5118 118.6604 57.8813 41.8155 172.9230 30 G 4.4548 8.4079 113.7951 47.4399 0.0000 176.9934 31 W 4.5388 9.1407 120.2904 54.7164 28.4649 174.7028 32 G 4.1238 7.3429 117.0314 44.0096 0.0000 172.1878 33 G 3.8555 10.3161 109.6711 44.6012 0.0000 172.6024 34 Q 4.5073 7.0535 113.8613 55.8827 31.7805 175.6259 35 G 4.1427 8.5920 106.7970 45.0331 0.0000 172.0540 36 T 4.4787 8.2234 115.8797 61.6367 69.5559 173.0938 37 P 4.6492 0.0000 0.0000 63.0902 31.8984 176.5847 38 K 4.0330 8.7241 120.7154 58.5151 32.7114 176.4925 39 D 4.5585 7.4285 116.6092 51.3020 42.8866 175.8417 40 A 4.0168 8.5250 120.3691 55.7375 18.3935 179.4952 41 T 3.9686 8.1439 113.7105 67.0881 68.4957 175.7387 42 D 4.5979 9.2055 119.9559 57.7627 41.1622 178.4513 43 R 3.9623 8.5708 119.3427 59.4034 30.0144 177.5200 44 C 4.1925 8.6125 116.9549 60.5738 36.7368 175.6265 45 C 4.4267 8.3912 117.1856 59.9442 39.9714 175.8616 46 F 3.8834 8.6464 122.6621 61.2995 38.8813 177.1591 47 V 3.3598 8.2227 118.1056 66.4391 31.2144 177.3900 48 H 3.9462 8.1954 117.6545 59.2983 29.5069 176.9509 49 D 4.0452 7.8307 120.7660 57.4597 40.7031 178.0866 50 C 4.1816 7.9408 117.3158 59.6426 39.8676 175.3620 51 C 4.1290 8.0540 119.9576 59.9239 41.0773 174.9092 52 Y 4.3971 8.5934 119.5089 61.0857 37.2097 178.8507 53 G 3.8065 8.4549 106.0361 47.2097 0.0000 175.2468 54 G 3.9548 7.6567 106.0507 45.0318 0.0000 173.8902 55 V 3.7331 7.2816 121.3031 62.5124 31.2075 175.1852 56 K 4.3813 8.3120 126.9747 54.9233 33.8243 177.2144 *58 G 3.8770 8.4483 109.9771 45.1256 0.0000 170.8281 59 C 4.4369 7.2066 113.2443 54.3114 40.5441 172.1280 *61 N 4.7576 8.3592 116.2324 53.4949 38.2368 172.6164 *68 P 4.1137 0.0000 0.0000 62.0115 33.3678 179.1418 69 K 3.8827 7.6110 117.6820 58.8778 32.0357 177.1647 70 L 4.4279 7.5687 115.5934 54.4006 42.5082 176.6751 71 A 4.0762 7.6416 122.2686 51.8906 18.9222 176.6586 72 I 4.3227 8.2137 122.9887 59.5659 39.0320 174.6947 73 Y 4.9691 7.5944 124.8890 55.0529 40.7651 173.9462 74 S 5.1284 9.6171 114.3874 57.1485 64.8294 173.2533 75 Y 5.3979 8.4941 123.6545 56.7792 41.1030 172.8153 76 S 4.3225 9.1216 113.9583 57.7788 67.0028 172.7928 77 F 5.1745 8.7918 118.2981 55.9284 41.1522 175.9980 78 Q 4.3802 9.0021 121.4548 55.2407 31.9517 175.5105 79 R 3.8806 9.8903 124.5808 57.4107 28.4674 176.7999 80 G 4.0832 8.6171 103.0432 45.2460 0.0000 172.9277 81 N 5.1539 7.9965 118.2703 51.4243 42.4301 173.3791 82 I 3.7343 8.1317 125.6526 60.9892 38.1228 175.4207 83 V 4.3409 8.9876 127.0686 60.9617 34.3286 173.9120 84 C 4.6073 8.8550 125.9603 57.0347 40.5555 174.7082 85 G 3.7634 8.8824 114.9564 46.4440 0.0000 174.8682 86 R 4.2181 8.6013 119.5039 55.0280 29.0921 174.5035 *88 N 5.4476 8.0462 117.9537 53.1544 39.7953 174.0274 89 N 4.9623 8.4744 118.7328 52.2870 42.1490 175.7385 90 G 3.9468 8.4467 109.1025 46.4324 0.0000 175.3684 91 C 4.2721 8.7497 114.5067 58.1768 43.1582 176.0897 92 L 3.8174 7.6927 120.4177 57.8043 41.0386 179.5296 93 R 3.8000 8.0165 118.6152 59.5634 30.0826 178.5536 94 T 3.7925 7.7714 115.0520 66.7669 68.5929 176.5243 95 I 3.6710 7.8785 121.7497 64.4061 37.0441 177.6354 96 C 2.9629 7.9317 119.3998 59.1372 42.8996 175.3102 97 E 3.6395 7.9597 120.8645 59.2024 29.2015 177.7554 98 C 3.9162 8.0103 116.6853 60.5264 36.9319 176.2224 99 D 3.3700 7.6226 119.4440 56.6647 40.2373 178.8033 100 R 3.6301 7.7871 119.5071 59.4123 30.1249 178.6227 101 V 3.4232 7.8161 118.0315 66.0853 31.3658 177.8743 102 A 3.7541 7.6958 120.1452 54.7737 18.1225 179.5163 103 A 3.6123 8.3745 119.8283 55.1837 18.4221 179.6558 104 N 4.2951 8.2768 115.3462 56.3844 38.6823 176.7245 105 C 4.1986 8.3622 120.3411 59.7796 43.4963 175.5099 106 F 4.4464 7.6977 118.2045 61.1602 38.6163 176.9157 107 H 4.4142 8.3923 117.9684 59.1678 29.5056 177.0449 108 Q 4.1562 8.1215 117.7757 57.8070 28.8361 176.3547 109 N 4.9846 7.6994 117.5116 52.8333 38.9741 176.3672 110 K 4.2072 7.8190 118.6658 58.9192 32.6891 177.4572 111 N 4.6729 8.1224 115.9946 54.2350 38.9654 175.3690 112 T 4.4806 7.8685 107.7258 61.0083 69.3862 173.9728 113 Y 3.9620 8.1006 123.9776 58.2130 39.2257 174.5933 114 N 4.9186 8.8895 125.7781 51.4134 40.7686 174.8408 115 K 4.1632 8.9098 126.1403 59.6646 32.2777 178.4037 116 E 4.0695 8.4435 116.6417 57.9458 29.5978 176.8926 117 Y 4.4312 7.7460 116.7670 57.8564 38.2037 175.6098 118 K 4.1605 7.4988 120.2113 56.9494 32.7305 176.4822 119 F 4.1659 7.6749 117.8752 57.7420 36.8202 176.1490 120 L 4.2111 7.8999 118.9993 54.7067 42.5399 177.5163 121 S 4.6563 8.3407 116.4426 56.9492 64.6126 175.2380 122 S 4.0597 8.6374 116.2048 61.2859 62.5785 176.3986 *124 S 4.3393 7.9240 113.8631 57.9843 64.4132 174.6067 125 K 4.3205 7.8757 118.2553 57.2864 32.2567 176.0858 126 C 5.0506 8.0219 117.1642 56.8032 40.8984 174.4859 127 R 4.4648 8.0590 115.3100 56.3714 30.3491 177.0696 128 Q 4.3540 7.7077 117.6538 55.3425 30.3806 175.6027 129 R 4.3456 8.4489 120.6005 56.3915 30.6268 177.0166 130 S 4.6205 8.8028 120.6490 58.3475 63.4223 174.0233 131 E 3.8506 8.4232 125.0344 56.6315 29.8519 176.2066 132 Q 4.4295 8.4022 125.3688 55.3721 30.1772 176.3498 133 C 4.4757 8.7826 120.6120 57.4022 41.2142 173.5579 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 N 8.18 5.10 0.00 3.13 3.15 0.00 0.00 6.15 5.79 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 2 L 8.38 4.15 0.00 1.95 1.90 1.07 0.97 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 3 F 9.27 4.08 0.00 3.23 3.23 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 4 Q 8.54 4.24 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 5 F 8.56 4.41 0.00 3.24 3.12 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 6 A 8.26 3.65 1.11 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 0.00 0.00 7 R 7.76 3.93 0.00 2.18 2.20 0.00 3.29 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 8 M 8.39 4.34 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 9 I 7.85 3.70 1.79 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.82 0.00 0.00 10 N 8.27 4.51 0.00 2.64 2.70 0.00 0.00 6.96 6.92 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 11 G 8.09 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 0.00 0.00 0.00 12 K 8.00 4.33 0.00 2.15 1.91 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.37 7.81 13 L 8.20 4.65 0.00 1.74 1.72 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.28 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 *16 A 8.15 3.78 0.63 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 0.00 0.00 17 F 8.07 4.47 0.00 3.48 3.55 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 18 S 8.07 4.23 0.00 3.93 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 19 V 8.17 3.54 1.81 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 -0.63 0.00 0.00 0.40 0.00 0.00 20 W 7.53 4.48 0.00 3.44 3.38 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 21 N 8.10 4.41 0.00 2.21 1.78 0.00 0.00 6.80 7.19 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 22 Y 7.46 4.55 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 23 I 7.84 4.04 2.16 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 1.25 0.00 0.00 24 S 7.90 4.85 0.00 4.12 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 25 Y 9.09 4.70 0.00 2.88 2.66 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 0.00 0.00 0.00 0.00 26 G 7.96 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.38 4.42 0.00 3.09 3.23 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 28 Y 8.64 4.03 0.00 3.23 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 29 C 8.51 4.67 0.00 3.36 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 30 G 8.41 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.14 4.54 0.00 3.42 3.39 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 32 G 7.34 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 33 G 10.32 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 34 Q 7.05 4.51 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.15 2.54 0.00 35 G 8.59 4.14 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 0.00 0.00 0.00 36 T 8.22 4.48 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 1.13 0.00 0.00 37 P 0.00 4.65 0.00 1.89 2.02 0.00 3.44 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 38 K 8.72 4.03 0.00 1.03 0.85 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 0.60 7.81 39 D 7.43 4.56 0.00 2.95 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 40 A 8.52 4.02 1.44 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 0.00 0.00 41 T 8.14 3.97 4.40 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 0.00 0.00 0.00 0.91 0.00 0.00 42 D 9.21 4.60 0.00 3.01 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 43 R 8.57 3.96 0.00 1.88 2.21 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 44 C 8.61 4.19 0.00 3.54 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 45 C 8.39 4.43 0.00 3.45 3.39 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 46 F 8.65 3.88 0.00 2.53 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 47 V 8.22 3.36 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 0.87 0.00 0.00 1.06 0.00 0.00 48 H 8.20 3.95 0.00 3.11 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.83 4.05 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 50 C 7.94 4.18 0.00 2.76 2.89 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 51 C 8.05 4.13 0.00 2.89 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 52 Y 8.59 4.40 0.00 2.95 2.89 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 53 G 8.45 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 54 G 7.66 3.95 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 0.00 0.00 0.00 55 V 7.28 3.73 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 0.69 0.00 0.00 0.88 0.00 0.00 56 K 8.31 4.38 0.00 1.74 1.69 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.33 7.81 *58 G 8.45 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 59 C 7.21 4.44 0.00 3.03 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 *61 N 8.36 4.76 0.00 2.72 2.78 0.00 0.00 7.66 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 *68 P 0.00 4.11 0.00 0.97 0.91 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 69 K 7.61 3.88 0.00 1.77 2.00 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.50 7.81 70 L 7.57 4.43 0.00 1.66 1.66 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.64 4.08 1.23 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 72 I 8.21 4.32 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 1.34 0.60 0.84 0.00 0.00 73 Y 7.59 4.97 0.00 3.15 3.03 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 74 S 9.62 5.13 0.00 3.92 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 75 Y 8.49 5.40 0.00 3.10 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 76 S 9.12 4.32 0.00 3.83 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 77 F 8.79 5.17 0.00 2.93 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 78 Q 9.00 4.38 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.25 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 79 R 9.89 3.88 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 80 G 8.62 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 0.00 0.00 0.00 81 N 8.00 5.15 0.00 2.85 2.65 0.00 0.00 7.15 7.07 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 82 I 8.13 3.73 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.12 0.68 0.00 0.00 83 V 8.99 4.34 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 1.04 0.00 0.00 0.94 0.00 0.00 84 C 8.85 4.61 0.00 2.80 2.89 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 85 G 8.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.60 4.22 0.00 1.89 1.90 0.00 3.16 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 *88 N 8.05 5.45 0.00 2.71 2.76 0.00 0.00 7.17 8.00 0.00 0.00 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 N 8.47 4.96 0.00 2.73 2.69 0.00 0.00 7.04 7.85 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 90 G 8.45 3.95 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 0.00 0.00 0.00 91 C 8.75 4.27 0.00 3.06 3.33 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 92 L 7.69 3.82 0.00 1.91 1.85 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.02 3.80 0.00 2.02 2.06 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 94 T 7.77 3.79 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 1.15 0.00 0.00 95 I 7.88 3.67 1.89 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 1.13 0.93 0.99 0.00 0.00 96 C 7.93 2.96 0.00 1.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.64 0.00 2.00 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 2.26 0.00 98 C 8.01 3.92 0.00 3.20 2.92 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 99 D 7.62 3.37 0.00 2.55 2.34 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 0.00 100 R 7.79 3.63 0.00 1.72 1.89 0.00 3.11 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 101 V 7.82 3.42 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 0.84 0.00 0.00 0.84 0.00 0.00 102 A 7.70 3.75 0.94 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 0.00 103 A 8.37 3.61 1.35 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 0.00 0.00 104 N 8.28 4.30 0.00 2.85 2.85 0.00 0.00 6.62 8.30 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 0.00 105 C 8.36 4.20 0.00 2.98 3.07 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 0.00 106 F 7.70 4.45 0.00 2.92 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 0.00 107 H 8.39 4.41 0.00 3.25 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.12 4.16 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 109 N 7.70 4.98 0.00 3.00 2.93 0.00 0.00 6.58 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 0.00 110 K 7.82 4.21 0.00 1.83 1.99 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.42 7.81 111 N 8.12 4.67 0.00 2.76 2.93 0.00 0.00 6.83 7.54 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 0.00 112 T 7.87 4.48 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 1.27 0.00 0.00 113 Y 8.10 3.96 0.00 2.93 2.89 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 0.00 114 N 8.89 4.92 0.00 2.70 2.50 0.00 0.00 6.74 6.27 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 0.00 115 K 8.91 4.16 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.71 7.81 116 E 8.44 4.07 0.00 1.54 1.79 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 2.25 2.27 0.00 117 Y 7.75 4.43 0.00 1.77 1.84 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 0.00 118 K 7.50 4.16 0.00 1.38 0.74 0.00 2.05 0.00 0.00 1.69 0.00 0.00 2.50 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.40 7.81 119 F 7.67 4.17 0.00 3.24 3.05 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 0.00 120 L 7.90 4.21 0.00 1.61 1.59 0.82 0.98 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 0.00 121 S 8.34 4.66 0.00 4.01 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 0.00 122 S 8.64 4.06 0.00 4.03 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 0.00 *124 S 7.92 4.34 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 0.00 125 K 7.88 4.32 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 126 C 8.02 5.05 0.00 2.95 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 0.00 127 R 8.06 4.46 0.00 1.80 1.94 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 128 Q 7.71 4.35 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 129 R 8.45 4.35 0.00 1.71 1.91 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 130 S 8.80 4.62 0.00 3.91 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 0.00 131 E 8.42 3.85 0.00 1.54 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 2.04 2.08 0.00 132 Q 8.40 4.43 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 133 C 8.78 4.48 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.