NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3122 8.2493 123.5869 51.5328 20.5855 177.5370 9 P 3.8257 0.0000 0.0000 62.6129 31.3406 170.3170 10 V 3.8548 8.4492 123.0988 62.4884 33.0359 175.1011 11 E 5.1688 8.6934 128.8846 54.3747 32.4597 175.1726 12 V 4.5993 9.0364 125.4506 61.4310 34.8796 174.0593 13 T 5.0768 9.9027 117.2915 59.2396 71.7602 172.2868 14 Y 5.1402 7.7692 133.7661 57.7719 41.1635 170.5296 15 K 4.0316 8.2493 125.9056 57.5652 34.6194 177.3900 16 N 4.4938 7.4618 114.3493 51.5252 37.0082 175.2558 *18 R 4.1870 7.5043 117.8152 57.0464 32.0685 174.5917 19 F 5.5342 9.4711 125.4006 55.5947 42.7951 174.2678 20 L 4.9370 8.7445 124.5325 53.4320 44.2106 175.1106 21 I 4.8139 8.5520 128.9308 60.6473 37.4672 175.7114 22 T 4.5191 8.8160 117.6620 60.2069 71.6339 173.8134 23 H 5.1716 8.4475 122.3779 55.7820 29.2476 174.4353 24 N 4.4946 8.5765 124.4195 52.1316 39.4498 172.2908 25 P 3.9356 0.0000 0.0000 62.2952 30.4663 175.6373 26 T 3.6979 8.8996 114.2573 62.6388 69.2723 174.8205 27 N 3.8317 8.8479 116.4328 55.2683 35.1492 176.4632 28 A 3.2257 7.6419 121.5154 53.9519 19.4256 178.9005 29 T 4.3336 8.2954 108.8417 60.3866 67.5022 175.7194 30 L 4.2960 7.7253 123.6481 56.8786 42.0860 178.2587 31 N 4.3702 8.0941 117.9729 56.6285 38.7032 177.4117 32 K 4.1407 8.0945 118.8741 58.9498 32.1171 179.1934 33 F 4.1778 8.1659 121.0293 61.4744 39.4510 177.1014 34 I 3.8098 8.2104 119.4926 64.1629 36.9039 178.2797 35 E 3.9720 8.2222 119.6297 59.5800 29.2657 179.3083 36 E 4.0987 8.1599 118.4305 59.1206 29.4905 179.3290 37 L 3.9049 7.5766 118.7709 57.9078 41.7851 179.7717 38 K 4.0358 8.0040 118.1999 59.3986 31.6857 179.6341 39 K 4.0328 7.6678 117.7093 59.3281 32.0252 178.1354 40 Y 4.3066 8.0926 114.3109 57.3181 38.1379 175.6016 41 G 3.9212 8.0154 108.4666 46.4560 0.0000 173.9761 42 V 4.9082 8.0802 119.0714 62.0612 32.3518 175.4800 43 T 4.6980 8.5486 115.8950 62.1792 71.7427 173.8394 44 T 5.2257 7.7285 110.5147 59.6874 72.7794 172.7001 45 I 4.9225 8.9697 123.6174 59.2959 41.5058 174.0318 46 V 4.3710 9.1173 129.8725 61.1957 33.3667 174.4057 47 R 4.5981 8.7982 130.7846 55.5978 30.9812 176.6949 48 V 4.3948 8.9578 126.3137 61.6475 32.7367 174.9938 49 C 5.0071 7.4308 117.2494 57.9975 32.5582 175.2064 50 E 4.5040 8.5511 113.1516 55.9295 30.9593 173.4149 51 A 4.6079 7.7873 125.2085 50.1314 22.7360 175.8695 52 T 3.6991 8.1933 114.8919 64.2248 68.6021 173.6846 53 Y 5.1343 8.0102 128.8596 56.3756 40.9492 173.0872 54 D 4.5690 7.6622 128.9707 53.8156 37.6828 175.3041 55 T 3.2922 7.7099 118.5048 65.1223 67.5950 174.6931 56 T 3.8073 7.6903 110.8047 64.7139 68.6138 175.9590 57 L 3.8853 8.6614 123.1645 57.7307 42.2981 179.0110 58 V 3.7306 7.4720 117.6220 66.1844 31.5816 178.0316 59 E 4.8331 8.0395 119.5060 58.7093 28.9795 179.2680 60 K 4.0212 8.0065 119.2121 59.1351 32.3301 177.9419 61 E 4.2646 7.8275 116.8021 56.3979 29.7132 177.1688 62 G 4.0363 7.7024 106.3140 44.9831 0.0000 173.6575 63 I 4.5379 7.6709 121.5578 59.6863 39.2694 174.6093 64 H 4.8798 9.0017 128.1679 56.2354 30.9459 174.0227 65 V 4.9073 8.6618 124.6410 61.0268 34.1991 174.3059 66 L 4.5102 8.6926 127.1762 52.8987 44.7443 175.0872 67 D 4.9251 8.7643 124.0454 52.1348 41.1753 176.0693 68 W 5.4027 8.1437 128.4755 54.6964 28.1013 174.2294 69 P 5.0150 0.0000 0.0000 62.4446 32.1507 177.3646 70 F 5.1004 7.9332 115.9379 54.9281 41.4871 173.6845 71 D 4.3278 9.0841 118.4278 54.8110 40.9939 176.2525 72 D 4.3043 8.5852 123.9669 55.6554 41.8108 174.4599 73 G 4.2813 9.1473 116.5392 45.6714 0.0000 173.8407 74 A 4.2345 7.1598 120.5498 50.5631 19.1333 175.3253 75 P 3.8164 0.0000 0.0000 61.0620 31.9912 175.2947 76 P 3.3154 0.0000 0.0000 61.7639 31.8592 176.7245 77 S 4.2399 8.0231 115.5418 58.5865 64.7371 175.0796 78 N 4.4218 8.4811 118.2768 56.2809 38.1941 177.7699 79 Q 3.9025 7.9190 119.1482 58.9844 28.7922 178.7024 80 I 3.3100 7.4682 120.3744 64.1596 37.0890 178.6951 81 V 3.7008 7.5768 118.7277 65.8599 31.4773 177.3846 82 D 4.3304 8.3035 118.0068 57.6247 41.0922 178.0445 83 D 4.2722 8.1813 119.4822 56.9533 40.6573 178.3787 84 W 5.1030 8.3545 129.2025 61.1468 30.7282 177.9684 85 L 3.8867 8.6309 119.0323 57.7753 40.9192 179.6002 86 S 4.1175 8.1189 112.8079 60.9746 62.3771 175.6331 87 L 3.9531 8.4560 123.6068 58.3403 41.5576 179.0983 88 V 3.2516 7.6035 117.8467 65.9540 31.0048 177.9048 89 K 3.9930 7.9691 118.0353 59.8688 31.8535 179.1522 90 I 3.6092 8.0597 120.1837 64.0258 36.9754 178.0296 91 K 3.6701 7.9462 120.1232 59.9539 31.8077 178.9152 92 F 4.3838 7.2888 115.5848 59.7881 38.8221 177.2244 93 R 4.1858 7.3433 117.7661 58.7132 30.1336 177.5553 94 E 4.2580 8.3376 118.5615 57.9708 30.8861 177.1682 95 E 4.5084 8.2482 124.4734 52.6559 29.8142 171.8740 96 P 4.5553 0.0000 0.0000 63.8541 31.9300 177.1212 97 G 3.9364 9.0531 111.3997 45.2005 0.0000 173.0025 98 C 4.6438 7.5075 114.0368 57.7194 31.2866 172.0365 99 C 5.1009 8.5952 118.3962 58.0685 35.1267 172.7100 100 I 4.8459 8.4666 126.1552 59.6899 38.9252 174.5758 101 A 4.9461 8.8999 129.8518 51.0700 20.6226 175.9487 102 V 4.7050 9.0788 122.0225 61.3200 34.4724 173.6630 103 H 5.3821 9.6681 128.7042 53.9096 32.0938 172.8540 104 S 4.4839 8.2188 121.0428 57.2252 66.1134 174.1880 105 V 3.5434 8.5979 117.7819 65.6174 30.6917 177.4857 106 A 4.3361 7.8513 120.4343 51.1709 19.7305 177.4424 107 G 4.6366 8.0702 102.8862 46.2393 0.0000 174.2733 108 L 4.5422 7.4413 118.0728 53.6344 44.0222 177.2024 109 G 3.9017 7.4700 104.3730 44.9201 0.0000 174.6950 110 R 3.9926 8.8375 117.7354 59.0443 30.9276 178.1059 111 A 3.8558 7.7469 119.6665 54.6654 18.5071 177.8428 112 P 4.2681 0.0000 0.0000 65.4414 31.2377 178.7524 113 V 3.9141 7.7955 118.7633 66.0119 31.4608 177.9438 114 L 3.7595 7.5245 117.9995 57.7196 41.3499 179.5571 115 V 3.3143 7.6073 117.6774 65.8447 31.3118 177.9271 116 A 4.0595 8.3828 120.8196 55.2854 18.3058 179.6318 117 L 3.7563 8.3002 117.5715 57.6298 41.5776 179.7901 118 A 4.1189 8.1777 120.9717 55.2526 18.1900 179.6596 119 L 4.1206 7.7840 116.2787 57.9574 41.9161 179.4867 120 I 3.9176 8.0675 119.8795 64.6338 36.8978 178.3709 121 E 4.2239 8.2096 118.0753 59.1592 29.3714 178.9692 122 G 3.9799 7.9512 103.6326 44.6269 0.0000 173.5510 123 G 4.2485 7.7720 111.0492 46.3185 0.0000 174.3207 *125 K 4.1532 7.6566 118.7951 56.0447 35.1624 176.1467 126 Y 4.1590 8.6067 120.3110 60.6251 37.5603 178.7836 127 E 3.2641 7.1300 119.4830 58.9061 29.4408 178.7492 128 D 4.2179 7.8277 118.0817 57.5065 41.0472 178.7648 129 A 3.9753 7.8756 121.0307 54.9112 18.3583 179.9053 130 V 3.4213 8.0148 117.4371 65.9888 31.5852 178.4436 131 Q 3.9708 8.2901 118.0544 58.8092 28.4075 177.9299 132 F 4.2770 8.2137 120.6519 61.7871 39.5678 177.0804 133 I 3.9001 7.9265 118.7326 64.4931 36.8181 178.6527 134 R 4.6184 8.1351 119.6726 58.2385 29.5719 178.7601 135 Q 3.8514 7.8308 118.7303 58.3152 29.0856 176.7114 136 K 4.2452 7.9937 117.5988 56.5026 33.6891 176.3676 137 R 4.3045 7.4779 118.1524 54.9849 30.3437 175.9368 138 R 3.3056 7.1018 119.7068 57.3658 31.7361 177.6243 139 G 3.9505 7.5030 111.4861 44.6615 0.0000 173.4544 140 A 3.9442 7.5655 119.7201 53.7161 19.3503 177.9361 141 F 5.0122 7.7027 113.2408 54.9268 43.2337 174.1905 142 N 4.9201 9.2207 122.5108 51.1390 40.6275 176.0790 143 S 4.1130 8.5114 113.5591 61.6988 62.2452 175.6652 144 K 3.8904 8.2395 120.3226 60.0486 31.8482 178.9548 145 Q 4.1508 8.8748 118.1744 59.0345 28.7074 178.9938 146 L 3.9429 8.2375 121.3203 58.1953 42.0606 179.0832 147 L 3.9791 8.2173 119.0878 57.6241 41.3927 178.8780 148 Y 4.1013 8.2299 119.7410 60.8360 38.5972 178.2390 149 L 3.6389 7.6137 118.3495 57.3976 41.6809 178.8234 150 E 2.5400 7.2898 118.6098 57.9575 29.5511 178.0990 151 K 4.1129 7.1660 116.3417 55.9509 32.6994 176.5567 152 Y 3.9811 6.7555 121.2313 57.6034 39.2274 175.2830 153 R 4.2546 7.0694 123.7728 53.1550 32.8989 173.4682 154 P 4.1449 0.0000 0.0000 61.6166 31.9043 176.5921 155 K 4.0515 8.6307 120.3486 56.8628 31.9014 176.6699 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 8 A 8.25 4.31 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 9 P 0.00 3.83 0.00 2.02 1.98 0.00 3.81 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 2.11 2.18 0.00 10 V 8.45 3.85 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 1.00 0.00 0.00 0.85 0.00 0.00 11 E 8.69 5.17 0.00 2.02 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 2.25 2.34 0.00 12 V 9.04 4.60 2.28 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 1.19 0.00 0.00 0.92 0.00 0.00 13 T 9.90 5.08 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 1.24 0.00 0.00 14 Y 7.77 5.14 0.00 3.28 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 15 K 8.25 4.03 0.00 1.45 1.41 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.60 7.81 16 N 7.46 4.49 0.00 2.71 2.74 0.00 0.00 5.91 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 *18 R 7.50 4.19 0.00 1.79 1.95 0.00 3.14 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 19 F 9.47 5.53 0.00 3.19 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 20 L 8.74 4.94 0.00 1.68 1.46 0.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.55 4.81 1.81 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 1.28 0.72 0.81 0.00 0.00 22 T 8.82 4.52 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 1.10 0.00 0.00 23 H 8.45 5.17 0.00 3.15 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.58 4.49 0.00 2.59 2.66 0.00 0.00 6.78 7.69 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 25 P 0.00 3.94 0.00 1.96 1.01 0.00 3.54 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 26 T 8.90 3.70 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 1.22 0.00 0.00 27 N 8.85 3.83 0.00 2.86 3.18 0.00 0.00 6.75 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 28 A 7.64 3.23 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 29 T 8.30 4.33 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 1.26 0.00 0.00 30 L 7.73 4.30 0.00 1.80 1.86 1.01 0.77 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 31 N 8.09 4.37 0.00 2.80 2.91 0.00 0.00 6.95 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.09 4.14 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.53 7.81 33 F 8.17 4.18 0.00 3.15 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.21 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 0.95 0.00 0.00 35 E 8.22 3.97 0.00 2.20 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 2.38 0.00 36 E 8.16 4.10 0.00 1.99 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 0.00 2.39 2.60 0.00 37 L 7.58 3.90 0.00 1.73 1.64 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.00 4.04 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 39 K 7.67 4.03 0.00 1.81 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.81 7.81 40 Y 8.09 4.31 0.00 3.01 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 41 G 8.02 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 42 V 8.08 4.91 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 1.01 0.00 0.00 43 T 8.55 4.70 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 1.30 0.00 0.00 44 T 7.73 5.23 4.15 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 1.13 0.00 0.00 45 I 8.97 4.92 1.97 0.00 0.00 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 1.22 1.82 1.12 0.00 0.00 46 V 9.12 4.37 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 0.65 0.00 0.00 0.92 0.00 0.00 47 R 8.80 4.60 0.00 1.90 1.89 0.00 3.10 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.36 0.00 48 V 8.96 4.39 1.89 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 0.41 0.00 0.00 0.52 0.00 0.00 49 C 7.43 5.01 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.55 4.50 0.00 1.89 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 2.26 0.00 51 A 7.79 4.61 1.13 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 0.00 0.00 52 T 8.19 3.70 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 53 Y 8.01 5.13 0.00 2.72 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.66 4.57 0.00 2.68 2.44 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 55 T 7.71 3.29 4.13 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 1.14 0.00 0.00 56 T 7.69 3.81 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 1.17 0.00 0.00 57 L 8.66 3.89 0.00 1.59 1.88 0.95 0.28 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 58 V 7.47 3.73 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 1.13 0.00 0.00 0.88 0.00 0.00 59 E 8.04 4.83 0.00 2.05 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 2.56 2.33 0.00 60 K 8.01 4.02 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 61 E 7.83 4.26 0.00 2.17 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 2.63 2.49 0.00 62 G 7.70 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 0.00 0.00 0.00 63 I 7.67 4.54 1.92 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 1.25 0.72 0.96 0.00 0.00 64 H 9.00 4.88 0.00 3.20 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.66 4.91 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 1.04 0.00 0.00 1.04 0.00 0.00 66 L 8.69 4.51 0.00 0.87 0.34 0.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.76 4.93 0.00 2.72 2.69 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 68 W 8.14 5.40 0.00 3.38 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 69 P 0.00 5.02 0.00 2.07 2.27 0.00 3.58 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 70 F 7.93 5.10 0.00 2.86 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 71 D 9.08 4.33 0.00 2.88 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 72 D 8.59 4.30 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.15 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 0.00 0.00 0.00 0.00 74 A 7.16 4.23 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 75 P 0.00 3.82 0.00 1.71 0.81 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 76 P 0.00 3.32 0.00 1.51 0.49 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 77 S 8.02 4.24 0.00 4.00 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 78 N 8.48 4.42 0.00 2.74 2.90 0.00 0.00 6.82 8.14 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 79 Q 7.92 3.90 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 80 I 7.47 3.31 1.71 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 1.00 0.00 0.00 81 V 7.58 3.70 2.27 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 1.15 0.00 0.00 1.01 0.00 0.00 82 D 8.30 4.33 0.00 3.09 2.63 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 83 D 8.18 4.27 0.00 1.58 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 0.00 0.00 0.00 84 W 8.35 5.10 0.00 3.67 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 85 L 8.63 3.89 0.00 1.91 1.77 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.12 4.12 0.00 4.08 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 87 L 8.46 3.95 0.00 2.22 1.91 0.97 0.84 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 88 V 7.60 3.25 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 1.22 0.00 0.00 0.13 0.00 0.00 89 K 7.97 3.99 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.74 7.81 90 I 8.06 3.61 2.06 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 1.41 0.83 0.90 0.00 0.00 91 K 7.95 3.67 0.00 1.79 1.16 0.00 1.43 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.35 7.81 92 F 7.29 4.38 0.00 3.04 3.09 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 93 R 7.34 4.19 0.00 1.86 2.05 0.00 3.33 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 1.63 1.68 0.00 94 E 8.34 4.26 0.00 2.04 2.16 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 2.31 2.31 0.00 95 E 8.25 4.51 0.00 1.96 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 0.00 2.20 2.24 0.00 96 P 0.00 4.56 0.00 2.09 2.00 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 97 G 9.05 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 98 C 7.51 4.64 0.00 3.12 3.11 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 99 C 8.60 5.10 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.85 1.97 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.29 1.20 0.00 0.00 101 A 8.90 4.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.08 4.70 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 0.92 0.00 0.00 1.13 0.00 0.00 103 H 9.67 5.38 0.00 3.12 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.22 4.48 0.00 3.76 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.60 3.54 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 0.74 0.00 0.00 0.83 0.00 0.00 106 A 7.85 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.07 4.64 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 0.00 108 L 7.44 4.54 0.00 1.70 1.67 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.47 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 0.00 110 R 8.84 3.99 0.00 1.59 1.48 0.00 2.29 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 1.61 1.63 0.00 111 A 7.75 3.86 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 0.00 112 P 0.00 4.27 0.00 1.67 2.06 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 113 V 7.80 3.91 2.36 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 1.28 0.00 0.00 1.25 0.00 0.00 114 L 7.52 3.76 0.00 1.31 0.19 0.30 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.61 3.31 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 0.99 0.00 0.00 0.89 0.00 0.00 116 A 8.38 4.06 1.53 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 0.00 117 L 8.30 3.76 0.00 1.98 1.75 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.18 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.78 4.12 0.00 1.80 1.65 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.07 3.92 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 1.19 0.00 0.00 121 E 8.21 4.22 0.00 2.30 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 0.00 2.65 2.62 0.00 122 G 7.95 3.98 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 0.00 0.00 0.00 123 G 7.77 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 0.00 0.00 0.00 0.00 *125 K 7.66 4.15 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 126 Y 8.61 4.16 0.00 3.17 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 0.00 127 E 7.13 3.26 0.00 1.78 1.71 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 2.08 1.47 0.00 128 D 7.83 4.22 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.88 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 0.00 130 V 8.01 3.42 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 0.96 0.00 0.00 0.53 0.00 0.00 131 Q 8.29 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.50 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 132 F 8.21 4.28 0.00 3.01 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 0.00 133 I 7.93 3.90 2.21 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.70 0.95 0.00 0.00 134 R 8.14 4.62 0.00 2.08 2.04 0.00 3.28 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 135 Q 7.83 3.85 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 136 K 7.99 4.25 0.00 1.76 1.78 0.00 1.41 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.33 7.81 137 R 7.48 4.30 0.00 1.85 1.68 0.00 3.13 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 138 R 7.10 3.31 0.00 1.85 1.80 0.00 3.23 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 139 G 7.50 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 0.00 140 A 7.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.70 5.01 0.00 3.02 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 0.00 142 N 9.22 4.92 0.00 3.01 3.00 0.00 0.00 6.62 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.51 4.11 0.00 3.94 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 0.00 144 K 8.24 3.89 0.00 2.08 1.90 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.58 7.81 145 Q 8.87 4.15 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 146 L 8.24 3.94 0.00 2.00 1.84 1.01 0.53 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 0.00 147 L 8.22 3.98 0.00 1.98 1.71 1.02 0.62 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 0.00 148 Y 8.23 4.10 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 0.00 149 L 7.61 3.64 0.00 1.68 1.63 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.29 2.54 0.00 1.31 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 2.03 1.95 0.00 151 K 7.17 4.11 0.00 1.60 1.75 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.41 7.81 152 Y 6.76 3.98 0.00 2.55 2.73 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 0.00 153 R 7.07 4.25 0.00 1.51 1.56 0.00 3.16 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 154 P 0.00 4.14 0.00 2.19 2.17 0.00 3.16 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 155 K 8.63 4.05 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.