NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3559 8.2649 123.5898 52.2343 19.9780 177.0776 3 T 4.2770 7.9039 118.1149 63.7066 69.8701 174.5881 4 K 4.7897 9.0331 127.6549 53.5164 37.1114 173.8790 5 I 4.6735 7.8916 117.9571 59.8722 40.7194 176.1520 6 D 4.6800 8.7252 129.8391 53.6914 37.8076 176.0458 7 K 3.7705 8.1722 123.8257 59.2146 32.5052 177.8599 8 E 3.8989 8.1327 118.5314 58.9904 29.6389 178.5006 9 A 3.9999 8.5689 121.0258 55.3911 18.5600 179.2890 10 C 4.4006 8.0894 115.1232 63.2741 28.3244 176.2110 11 R 3.9398 8.2239 120.0708 59.6067 29.5020 177.8791 12 A 3.9761 8.1647 120.0458 55.4859 18.1735 179.2881 13 A 3.9820 7.9756 117.9322 55.4550 18.7007 178.9291 14 Y 4.2847 8.6885 118.2473 61.1629 38.7874 178.2003 15 N 4.2511 8.8148 117.6817 56.1346 38.3719 177.1909 16 L 3.9899 7.9043 121.0586 57.7444 42.1821 178.6516 17 V 4.1426 7.4882 117.1103 65.4411 31.7461 177.8054 18 R 4.4509 7.9586 116.2242 57.1273 30.0838 175.9328 19 D 4.4897 7.4272 118.9774 54.0603 41.1495 176.3475 20 D 4.7838 8.6553 130.7633 53.9856 40.8474 177.1050 21 G 4.2158 7.2212 99.6289 45.0883 0.0000 174.7487 22 S 4.3911 8.0454 112.9684 56.7914 65.4662 175.2697 23 A 3.5944 8.0681 121.0159 52.2084 16.2862 176.8680 24 V 4.2647 7.1711 116.6733 61.3111 30.6427 175.2360 25 I 4.2616 7.8521 119.8374 61.1829 39.2314 175.3513 26 W 5.6596 7.5716 120.5680 54.8967 31.7018 174.3725 27 V 5.0672 8.6393 115.0264 59.9253 36.3493 173.7391 28 T 5.3720 8.1973 110.7656 60.4969 73.2219 172.7188 29 F 5.3767 9.6523 121.9499 56.6459 43.0114 175.1666 30 K 5.1232 9.2851 126.2849 53.4205 36.8088 171.7740 31 Y 4.4669 8.8201 117.3691 58.3812 38.4064 174.6268 32 D 4.9719 8.9551 126.1740 53.0486 41.5881 177.3370 33 G 4.2604 8.3573 119.1884 45.9814 0.0000 172.3670 34 S 5.0190 8.7764 116.8655 58.0127 64.0007 172.5399 35 T 4.9337 7.8701 116.5572 62.6313 72.0714 173.7205 36 I 4.1970 8.3649 128.9912 61.6082 38.1969 176.1935 37 V 5.0409 8.8861 119.4633 58.6906 36.6756 172.9738 38 P 4.6551 0.0000 0.0000 62.1824 31.7908 177.3908 39 G 4.1637 8.4782 107.7452 46.9499 0.0000 175.8119 40 E 4.8276 9.0967 130.3853 55.3584 32.1608 173.0511 41 Q 3.5230 7.7538 116.2791 56.0404 31.0801 173.0099 42 G 3.4702 6.0922 105.6778 46.1495 0.0000 173.8466 43 A 4.6080 8.5503 120.7595 52.6616 20.1348 177.6240 44 E 4.5987 8.1245 115.9614 55.3791 30.9440 176.7681 45 Y 4.0034 8.9673 127.0958 61.2644 37.8962 178.5245 46 Q 4.0150 8.2775 121.4050 60.6696 28.1928 181.9907 47 H 4.5827 8.0870 116.8752 58.2388 28.7111 177.5173 48 F 2.3864 6.9360 122.2801 60.8144 38.9141 177.1842 49 I 2.7019 6.1886 115.8343 64.1340 36.5599 178.1833 50 Q 3.8739 7.1060 117.0080 58.0330 28.5285 177.9775 51 Q 3.9693 7.1818 118.6750 57.4282 30.1815 176.5148 52 C 3.2323 6.4083 119.8489 58.0497 26.4852 173.2152 53 T 4.2583 6.9462 112.1992 60.5974 70.4533 176.4468 54 D 4.5814 8.7233 121.9570 56.9556 41.0306 178.2063 55 D 4.5795 7.7580 117.6521 54.9502 42.0642 176.7826 56 V 4.6359 7.5002 112.3616 59.6073 34.6091 175.1434 57 R 5.2412 8.2656 117.6674 54.8754 32.5431 174.1869 58 L 4.4549 8.6662 120.3815 55.5524 44.4542 173.1865 59 F 5.8174 9.6077 116.9036 56.1160 42.7603 174.8010 60 A 5.4154 9.2905 121.6711 50.8984 23.0995 175.4436 61 F 5.1402 9.1397 121.1698 55.6980 41.9083 172.9745 62 V 4.3575 8.1639 125.4349 60.9534 33.8264 174.2927 63 R 3.8382 8.6251 128.8212 54.8249 30.1689 175.1767 64 F 4.6062 9.1434 126.7386 56.4586 40.9992 175.4285 65 T 4.8336 8.4250 118.7981 62.3352 71.0862 173.5321 66 T 4.5278 8.4484 113.4259 61.5241 73.0482 174.6953 67 G 4.0031 9.8017 110.4630 45.3042 0.0000 171.9888 68 D 4.3752 8.5521 115.2692 54.2077 43.8619 174.4082 69 A 3.6902 8.4604 125.6021 54.8728 17.0834 178.3158 *71 S 4.4393 7.7472 114.4791 57.1611 64.4893 179.0824 72 K 4.5804 7.9287 120.9277 58.8632 32.8951 177.2122 73 R 4.6998 8.6306 120.7892 56.0750 34.2803 175.0870 74 S 4.9990 8.8966 122.3494 57.1662 64.5332 174.3562 75 K 4.7379 9.7115 128.2479 53.5289 35.0349 172.4881 76 F 5.3297 9.3215 123.8560 55.0529 41.3171 174.8481 77 A 5.4939 9.0173 123.1807 50.2600 23.1401 175.0544 78 L 5.1504 8.6935 121.8269 53.6776 44.0291 174.8939 79 I 4.8585 8.7161 127.7280 60.2152 39.2625 175.0845 80 T 4.7543 8.9836 124.9900 61.9368 70.2008 173.5282 81 W 5.1359 8.9169 135.0000 56.1684 32.6976 175.6450 82 I 4.3193 7.0691 127.4435 59.6212 39.9751 174.8964 83 G 3.6380 8.2319 116.5174 45.0892 0.0000 172.0838 84 E 3.9736 8.8108 121.2431 59.4459 30.3314 178.8421 85 N 4.6126 7.6751 120.9743 53.3998 38.5673 170.8755 86 V 3.4066 8.5364 131.3007 62.9325 33.0366 173.9954 87 S 4.4002 8.2662 121.1251 58.3815 63.8964 173.9534 88 G 3.6052 8.8165 107.0444 48.4719 0.0000 176.3293 89 L 3.9851 7.8971 124.7242 59.3300 40.6863 181.2106 90 Q 4.0423 7.8055 118.1086 59.0433 28.4491 178.7529 91 R 3.8149 7.5200 119.1774 59.1129 30.0569 178.5098 92 A 3.9939 8.2137 120.9063 55.0645 18.4543 179.5696 93 K 4.0798 8.2639 118.3357 59.8908 31.8558 178.9274 94 T 4.5626 7.7149 117.1051 65.0003 68.1364 177.2760 95 G 3.6362 7.4932 107.4577 48.0795 0.0000 175.6184 96 T 4.0725 8.3610 119.4011 66.4896 68.5482 176.5431 97 D 4.4978 8.7118 121.0723 56.9481 40.8433 178.6587 98 K 3.7342 7.9698 118.7785 59.5004 32.4314 178.8859 99 T 3.8292 7.7826 114.9268 65.1768 67.1329 175.9391 100 L 4.0731 7.9120 119.5612 56.6275 41.8155 179.2548 101 V 3.2839 7.0959 118.5149 65.5534 31.4366 177.7736 102 K 4.2236 7.4648 117.4284 57.9984 31.8546 178.4293 103 E 3.9493 7.2787 118.6209 58.3564 29.5357 178.1971 104 V 3.7924 6.9955 116.8264 64.0744 33.0546 176.9560 105 V 2.2417 7.1425 122.6233 61.2172 29.6682 176.3073 106 Q 3.9679 7.6384 123.1008 57.7563 29.1916 176.0643 107 N 4.7799 8.7094 114.8046 51.2025 40.5600 174.4907 108 F 5.2384 7.3852 116.1427 55.3558 40.9761 174.1799 109 A 4.3305 9.5095 125.5859 55.0286 18.7765 177.9496 110 K 4.7862 8.2547 114.3182 55.2808 35.7158 174.3510 111 E 4.9717 8.6304 123.4562 54.6160 32.3067 174.6530 112 F 5.0549 9.4409 119.8513 55.9418 43.7238 174.5760 113 V 4.8344 8.4961 119.1047 62.2238 33.2267 173.6323 114 I 4.7137 8.9293 129.0738 59.1838 40.7105 176.5387 115 S 3.1337 8.1463 116.5221 55.8895 64.1176 173.2073 116 D 4.7029 7.7365 120.6129 53.2056 43.2704 175.9502 117 R 4.0627 9.0775 126.0648 57.9459 30.0388 178.6944 118 K 3.9472 8.1622 119.7455 59.0868 32.3758 177.8611 119 E 3.5180 8.0836 116.5986 57.1019 29.6515 177.1529 120 L 4.2857 7.5219 117.9685 55.1722 42.3178 177.1416 121 E 3.9050 7.5933 119.4626 56.7732 30.3199 176.2781 122 E 3.6288 9.1359 126.9526 59.9165 29.6048 178.5054 123 D 4.4339 8.7498 118.8613 57.2002 40.6876 178.9659 124 F 3.9203 8.0197 120.7917 61.1308 39.3915 177.3518 125 I 3.7090 8.0790 118.7319 64.2357 37.1379 177.9622 126 K 3.6250 8.1090 119.6637 59.7715 31.8899 178.5849 127 S 3.9543 7.6716 112.6704 62.0792 60.8145 176.2238 128 E 4.0571 7.9152 120.7822 59.7343 29.0429 179.6535 129 L 4.2779 7.7394 118.0242 57.5361 41.6229 179.3071 130 K 4.1067 8.3024 120.9237 59.8188 32.1584 177.7453 131 K 4.0595 7.3209 121.8315 55.1797 31.5909 178.4027 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 A 8.26 4.36 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 3 T 7.90 4.28 4.39 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 1.31 0.00 0.00 4 K 9.03 4.79 0.00 1.41 1.64 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 5 I 7.89 4.67 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.28 0.81 0.00 0.00 6 D 8.73 4.68 0.00 2.84 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 7 K 8.17 3.77 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.61 7.81 8 E 8.13 3.90 0.00 2.03 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 2.38 2.38 0.00 9 A 8.57 4.00 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 10 C 8.09 4.40 0.00 2.98 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 11 R 8.22 3.94 0.00 1.92 2.13 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 12 A 8.16 3.98 1.45 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 13 A 7.98 3.98 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 14 Y 8.69 4.28 0.00 2.98 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 15 N 8.81 4.25 0.00 2.94 2.86 0.00 0.00 6.72 6.62 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 16 L 7.90 3.99 0.00 1.64 1.92 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.49 4.14 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 1.06 0.00 0.00 1.31 0.00 0.00 18 R 7.96 4.45 0.00 1.63 1.77 0.00 2.49 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.30 0.00 19 D 7.43 4.49 0.00 2.60 2.62 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 20 D 8.66 4.78 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.22 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 0.00 0.00 0.00 22 S 8.05 4.39 0.00 3.93 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 23 A 8.07 3.59 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 24 V 7.17 4.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.87 0.00 0.00 25 I 7.85 4.26 1.94 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 1.60 0.85 0.86 0.00 0.00 26 W 7.57 5.66 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.64 5.07 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 1.02 0.00 0.00 0.97 0.00 0.00 28 T 8.20 5.37 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 1.66 0.00 0.00 29 F 9.65 5.38 0.00 3.27 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 30 K 9.29 5.12 0.00 1.39 1.61 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.25 7.81 31 Y 8.82 4.47 0.00 3.02 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 32 D 8.96 4.97 0.00 2.76 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 33 G 8.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.78 5.02 0.00 3.96 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 35 T 7.87 4.93 4.28 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 1.22 0.00 0.00 36 I 8.36 4.20 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.67 0.90 0.00 0.00 37 V 8.89 5.04 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 0.77 0.00 0.00 0.98 0.00 0.00 38 P 0.00 4.66 0.00 1.94 1.95 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 39 G 8.48 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 0.00 0.00 0.00 0.00 40 E 9.10 4.83 0.00 2.23 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 2.34 2.32 0.00 41 Q 7.75 3.52 0.00 1.59 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 42 G 6.09 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 43 A 8.55 4.61 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 44 E 8.12 4.60 0.00 2.26 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 2.46 2.33 0.00 45 Y 8.97 4.00 0.00 2.93 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 46 Q 8.28 4.01 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 47 H 8.09 4.58 0.00 3.73 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 6.94 2.39 0.00 1.51 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 0.00 0.00 0.00 49 I 6.19 2.70 1.65 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 1.18 -0.24 0.58 0.00 0.00 50 Q 7.11 3.87 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 51 Q 7.18 3.97 0.00 1.54 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.49 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 52 C 6.41 3.23 0.00 1.68 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 53 T 6.95 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 1.15 0.00 0.00 54 D 8.72 4.58 0.00 2.76 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 55 D 7.76 4.58 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.50 4.64 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 0.93 0.00 0.00 1.05 0.00 0.00 57 R 8.27 5.24 0.00 1.75 1.78 0.00 2.88 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 58 L 8.67 4.45 0.00 2.08 1.91 1.20 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.61 5.82 0.00 3.52 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 60 A 9.29 5.42 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 61 F 9.14 5.14 0.00 3.57 3.31 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 62 V 8.16 4.36 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 0.34 0.00 0.00 0.58 0.00 0.00 63 R 8.63 3.84 0.00 1.60 1.58 0.00 3.20 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.46 0.00 64 F 9.14 4.61 0.00 3.07 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 65 T 8.42 4.83 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 1.19 0.00 0.00 66 T 8.45 4.53 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 67 G 9.80 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 68 D 8.55 4.38 0.00 2.58 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 69 A 8.46 3.69 1.40 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 0.00 0.00 0.00 *71 S 7.75 4.44 0.00 3.67 3.82 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 72 K 7.93 4.58 0.00 1.64 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.45 7.81 73 R 8.63 4.70 0.00 1.48 1.72 0.00 3.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 74 S 8.90 5.00 0.00 3.85 3.34 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 75 K 9.71 4.74 0.00 1.40 1.64 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 76 F 9.32 5.33 0.00 3.18 2.77 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 77 A 9.02 5.49 1.72 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 78 L 8.69 5.15 0.00 1.54 1.05 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.72 4.86 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 1.22 0.00 0.00 80 T 8.98 4.75 4.54 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 0.00 0.00 0.00 1.27 0.00 0.00 81 W 8.92 5.14 0.00 3.57 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 82 I 7.07 4.32 1.55 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 0.99 0.72 0.73 0.00 0.00 83 G 8.23 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.81 3.97 0.00 1.94 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 0.00 2.26 2.31 0.00 85 N 7.68 4.61 0.00 2.90 2.64 0.00 0.00 7.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.54 3.41 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 0.69 0.00 0.00 0.98 0.00 0.00 87 S 8.27 4.40 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 88 G 8.82 3.61 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 0.00 0.00 0.00 89 L 7.90 3.99 0.00 1.66 1.71 0.92 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 90 Q 7.81 4.04 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 91 R 7.52 3.81 0.00 2.00 1.99 0.00 3.03 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 92 A 8.21 3.99 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 93 K 8.26 4.08 0.00 1.99 1.78 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.43 1.81 7.81 94 T 7.71 4.56 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 1.20 0.00 0.00 95 G 7.49 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.07 4.41 0.00 0.00 0.00 0.00 0.00 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 97 D 8.71 4.50 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.97 3.73 0.00 2.11 2.51 0.00 1.34 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.73 1.48 7.81 99 T 7.78 3.83 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 100 L 7.91 4.07 0.00 1.44 1.57 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.10 3.28 1.76 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 0.54 0.00 0.00 -0.35 0.00 0.00 102 K 7.46 4.22 0.00 1.89 1.90 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.40 7.81 103 E 7.28 3.95 0.00 1.96 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 2.21 2.23 0.00 104 V 7.00 3.79 1.75 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 0.50 0.00 0.00 0.77 0.00 0.00 105 V 7.14 2.24 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 1.09 0.00 0.00 0.48 0.00 0.00 106 Q 7.64 3.97 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 107 N 8.71 4.78 0.00 2.64 2.66 0.00 0.00 6.96 7.43 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 0.00 108 F 7.39 5.24 0.00 3.37 3.43 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 0.00 109 A 9.51 4.33 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 0.00 110 K 8.25 4.79 0.00 1.80 1.46 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.87 1.28 7.81 111 E 8.63 4.97 0.00 1.83 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 2.09 2.23 0.00 112 F 9.44 5.05 0.00 3.04 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 0.00 113 V 8.50 4.83 2.14 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 0.77 0.00 0.00 1.00 0.00 0.00 114 I 8.93 4.71 2.15 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 1.56 0.96 1.15 0.00 0.00 115 S 8.15 3.13 0.00 3.55 3.45 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 0.00 116 D 7.74 4.70 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.08 4.06 0.00 1.87 1.85 0.00 2.94 0.00 0.00 2.99 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.07 0.00 118 K 8.16 3.95 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 119 E 8.08 3.52 0.00 2.04 1.80 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 1.66 1.99 0.00 120 L 7.52 4.29 0.00 1.80 1.69 0.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.59 3.90 0.00 2.15 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 0.00 2.51 2.72 0.00 122 E 9.14 3.63 0.00 1.86 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 2.29 2.19 0.00 123 D 8.75 4.43 0.00 2.92 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 0.00 124 F 8.02 3.92 0.00 3.21 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 0.00 125 I 8.08 3.71 1.62 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 -0.07 0.00 0.00 126 K 8.11 3.63 0.00 1.79 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.56 7.81 127 S 7.67 3.95 0.00 3.68 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 0.00 128 E 7.92 4.06 0.00 2.32 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 2.28 2.82 0.00 129 L 7.74 4.28 0.00 1.84 1.72 0.56 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.30 4.11 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.42 7.81 131 K 7.32 4.06 0.00 1.74 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.