NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 3.4904 8.3449 119.6172 55.3649 29.9433 173.0563 2 F 4.5915 8.1010 118.3453 56.2353 41.1580 174.3078 3 Q 4.1245 9.4092 126.3745 58.0524 29.3656 173.3468 4 K 4.8644 7.8451 118.9880 51.1584 35.8682 176.8318 5 P 4.3869 0.0000 0.0000 66.5813 31.1681 179.3122 6 G 3.7167 8.1442 103.6306 47.8610 0.0000 175.2597 7 D 4.3997 8.1626 120.9309 57.1044 40.7369 178.6378 8 A 2.6149 7.5266 120.7381 54.6865 18.4035 179.4325 9 I 3.4896 7.5274 118.2251 64.7341 37.2200 178.5546 10 E 3.9735 8.2655 119.2837 59.3877 29.1594 178.9160 11 Y 3.9785 8.0703 119.7906 60.7010 38.9267 178.2300 12 R 3.7025 8.2166 117.4351 59.3775 29.4970 178.7413 13 Q 4.1747 8.2630 118.8263 58.8989 28.8320 178.9972 14 S 4.1223 8.2668 116.0335 61.2950 62.7231 176.6445 15 A 3.7942 7.8181 123.6666 55.1905 18.0908 179.7164 16 F 4.3554 8.0423 116.3630 61.0022 38.9162 178.1306 17 T 3.9791 8.0392 115.4382 66.6070 68.2629 176.7932 18 L 4.0701 7.8660 120.5097 57.7690 41.6311 179.5274 19 I 3.7888 8.1079 119.7068 64.4160 37.0410 178.1487 20 A 4.1551 8.5304 121.9243 55.3322 17.9872 179.1937 21 N 4.2366 8.0149 114.0387 57.3400 39.2477 176.5671 22 H 4.3223 8.3311 117.6322 58.6689 28.7993 177.5859 23 F 4.3887 8.9807 123.2389 61.2722 39.2621 177.3562 24 G 3.5787 8.5151 105.5768 47.9007 0.0000 175.8709 25 R 3.9472 7.6879 120.2863 58.9540 30.0236 179.3257 26 V 3.6718 7.5850 117.5397 65.7851 31.6790 177.7707 27 A 3.7757 7.7183 120.3709 54.9879 18.1158 179.4857 28 A 3.9723 7.8940 119.3018 55.3970 18.3098 179.8845 29 M 4.3934 8.0016 117.1128 58.1484 31.9110 178.7826 30 A 3.8154 7.8170 119.6018 55.0156 18.6045 178.8893 31 Q 4.2898 8.1007 113.9171 55.8987 29.1057 177.1253 32 G 3.9797 8.1340 108.3969 45.9050 0.0000 174.6653 33 K 4.2473 8.0999 117.5210 56.9398 32.2142 176.7941 34 A 4.7350 7.4756 121.3308 49.5370 22.2006 173.8536 35 P 4.3960 0.0000 0.0000 62.5119 32.0524 176.1302 36 F 4.5166 8.6763 124.3595 57.8270 40.2158 175.0205 37 D 4.1808 7.6405 125.4399 51.4021 43.6935 175.3182 38 A 3.7034 8.1529 132.2504 55.7582 18.3351 179.7387 39 K 3.8671 7.8655 121.4989 60.0242 31.8254 181.4195 40 V 3.7322 7.8386 119.2366 65.5442 31.4475 177.7908 41 A 3.9609 8.2485 120.7917 54.9788 18.2128 179.3861 42 A 3.9313 8.1938 119.4901 55.3307 18.4970 179.5315 43 E 3.9005 8.2669 117.0310 59.9256 29.6496 179.5155 44 N 4.4249 8.1782 116.2320 56.4639 38.5001 177.6553 45 I 3.8633 8.1692 121.2020 64.0171 37.1511 178.3247 46 A 3.9769 8.1041 121.8830 55.0276 18.1368 179.5722 47 L 3.8860 7.9625 117.4498 58.0859 41.6713 179.8913 48 V 3.6428 7.8905 118.0225 65.9991 31.1651 177.9621 49 S 4.0094 8.0772 111.9876 61.7220 62.1612 175.9283 50 T 4.0178 7.9469 118.2925 66.8350 68.3720 176.7572 51 L 3.8194 8.3246 121.2877 57.4885 41.3839 179.5213 52 S 4.3919 8.2086 113.8791 61.4216 61.3649 176.5329 53 K 4.1961 7.7111 121.9928 59.3422 31.7745 178.6780 54 L 4.0109 7.9641 119.3201 57.4217 41.6224 177.5094 55 P 4.1970 0.0000 0.0000 66.1809 30.6536 177.7005 56 L 4.6886 7.4567 115.7479 56.3259 41.7364 178.0853 57 T 4.4852 8.1348 108.7420 61.8483 69.4292 174.7649 58 A 4.6055 7.7551 124.3836 52.4132 19.4669 176.8091 59 F 4.7102 8.1091 116.2587 58.4887 39.4968 176.3636 60 G 4.0390 8.0640 109.9754 44.2546 0.0000 171.7937 61 P 4.2176 0.0000 0.0000 64.0222 31.5838 177.0499 62 G 3.8274 8.5933 109.6883 45.6377 0.0000 173.6829 63 T 4.4526 7.0379 108.2214 61.4743 68.9569 175.7724 64 D 4.1622 7.6592 126.4293 56.2148 39.7573 176.9268 65 K 4.5455 7.7217 118.7404 53.1157 35.8248 179.2457 66 G 3.7203 8.6332 107.3650 47.0466 0.0000 174.0050 *67 H 4.2073 9.4787 112.4057 55.1573 25.1253 170.5181 68 G 3.9805 8.2272 107.2559 47.4952 0.0000 174.8654 69 T 4.0399 8.2044 114.0791 62.1478 68.0482 173.4282 70 E 4.7722 8.7651 125.1740 56.0656 31.4494 174.8419 71 A 4.8081 7.9639 122.6730 51.3291 18.9593 178.6990 72 K 4.2343 9.0903 123.0853 55.9808 33.0425 176.9014 73 P 4.5795 0.0000 0.0000 65.9756 31.2399 178.7045 74 A 4.5784 8.2791 120.2585 54.2899 18.2798 179.3077 75 V 2.5916 8.0079 117.3383 65.2999 30.9229 177.8161 76 W 4.3643 8.0592 117.1541 59.0002 30.0384 178.6304 77 S 4.3579 8.3431 113.5928 60.2328 63.1902 173.8347 78 D 5.0279 8.3083 121.4493 52.4221 41.2137 176.7164 79 A 4.1683 8.3405 124.3756 54.6231 18.5412 179.2227 80 A 4.0321 8.0630 118.8082 55.2495 18.5952 179.8618 81 G 3.7199 8.2367 103.7846 48.0340 0.0000 175.5441 82 F 3.2908 8.1946 126.0050 61.2253 39.2385 177.8748 83 K 3.8957 8.3282 123.1905 59.6054 31.3328 180.7284 84 A 4.0929 7.9023 121.5094 55.0948 18.3685 179.4706 85 A 3.8706 7.9413 119.0476 55.4030 18.3412 179.7092 86 A 3.8444 7.6902 119.0510 55.3084 18.3520 179.6604 87 D 4.3234 8.1218 119.9480 57.8577 40.7960 179.6914 88 K 3.9436 8.2494 124.3969 59.7818 31.7721 180.4935 89 F 4.4232 8.3229 122.1610 61.2425 39.3446 177.0337 90 A 3.6605 8.2242 119.9779 54.9308 18.1442 179.3752 91 A 3.8213 8.0624 118.9222 55.3190 18.4461 179.4458 92 A 3.8761 8.0605 119.3986 55.6353 18.3624 180.1119 93 V 3.3718 7.5782 116.3303 65.8837 31.3959 178.0357 94 D 4.2845 7.7261 118.4470 57.2132 40.6046 178.7862 95 K 3.9191 7.9223 118.9470 59.4435 32.0524 179.1478 96 L 3.9730 8.0773 120.7735 58.0129 41.7230 178.5716 97 D 4.2655 8.2048 117.4481 57.1692 41.4534 177.7362 98 A 4.0937 8.1400 121.0398 55.3047 18.3317 179.1636 99 A 4.0283 8.4001 119.6747 55.6203 18.1266 180.1133 100 G 3.6078 8.0002 103.0136 47.8929 0.0000 175.8089 101 K 4.1865 8.0233 120.4172 59.3996 32.1519 179.2578 102 T 4.1440 7.9758 108.6425 62.3926 68.9907 175.5831 103 G 3.9228 7.6173 108.5389 46.2920 0.0000 173.1633 104 D 4.6459 7.8364 119.8704 52.7344 41.9179 176.2092 105 F 3.4533 8.8200 129.2027 61.5364 39.1762 176.6590 106 A 4.0874 8.2162 119.5030 55.3254 18.0064 179.2858 107 Q 3.8630 7.7686 117.5340 59.2089 29.1361 178.3206 108 I 3.6060 7.6265 120.8203 64.3075 37.1738 178.2466 109 K 3.6549 7.8949 120.5403 59.3404 31.9944 178.6568 110 A 3.9251 7.7267 120.5874 55.0894 18.2386 179.5229 111 A 3.9830 8.1826 119.4917 55.4004 18.3946 180.3378 112 V 3.9452 8.4158 111.5347 64.2909 31.6272 179.0872 113 G 3.6059 8.1202 105.9259 47.5492 0.0000 175.5239 114 E 3.9354 7.9052 120.3762 59.3739 30.0812 178.5724 115 T 4.1412 8.2532 116.1552 66.7814 68.5576 176.5855 116 G 3.9292 8.5562 107.7207 48.0561 0.0000 175.8747 117 G 3.6338 8.0403 107.1841 47.3977 0.0000 175.7084 118 A 4.1187 8.0515 123.0784 55.0396 18.2747 179.5243 119 C 3.7084 7.8866 117.1980 63.4379 28.2398 176.8330 120 K 3.9709 7.9466 125.2829 59.6396 30.7851 181.0507 121 G 3.8539 8.4837 107.5169 48.0360 0.0000 175.3548 122 C 4.0490 7.8907 121.4839 62.2002 31.5682 175.2361 123 H 4.1413 8.4042 118.1093 58.8955 28.0442 177.2417 124 D 4.3817 8.1583 122.2253 58.1396 40.8013 179.4822 125 K 3.9489 7.1272 121.6311 57.8351 32.0061 179.1859 126 F 5.2324 7.9370 114.1318 57.0043 40.3192 174.3554 127 K 4.9293 8.1672 121.2667 55.4468 35.0021 175.7309 128 E 4.2004 9.0869 122.5386 56.6488 29.8151 174.8719 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 Q 8.34 3.49 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 2 F 8.10 4.59 0.00 3.07 2.91 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 3 Q 9.41 4.12 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.79 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 4 K 7.85 4.86 0.00 1.63 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 0.98 7.81 5 P 0.00 4.39 0.00 2.11 2.27 0.00 3.57 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 2.09 2.15 0.00 6 G 8.14 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.16 4.40 0.00 3.11 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 8 A 7.53 2.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.53 3.49 1.95 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 1.49 0.70 0.91 0.00 0.00 10 E 8.27 3.97 0.00 2.12 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 2.34 2.47 0.00 11 Y 8.07 3.98 0.00 3.15 2.85 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 12 R 8.22 3.70 0.00 1.86 1.92 0.00 2.21 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 13 Q 8.26 4.17 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 14 S 8.27 4.12 0.00 3.86 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 15 A 7.82 3.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.04 4.36 0.00 3.15 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 17 T 8.04 3.98 4.44 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 1.25 0.00 0.00 18 L 7.87 4.07 0.00 1.87 1.77 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.11 3.79 2.20 0.00 0.00 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 1.55 0.80 1.08 0.00 0.00 20 A 8.53 4.16 1.48 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 0.00 0.00 21 N 8.01 4.24 0.00 2.86 2.95 0.00 0.00 7.33 7.89 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 22 H 8.33 4.32 0.00 3.34 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.98 4.39 0.00 3.19 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 24 G 8.52 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 25 R 7.69 3.95 0.00 1.94 1.98 0.00 3.33 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 26 V 7.59 3.67 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 27 A 7.72 3.78 0.96 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 0.00 0.00 28 A 7.89 3.97 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 29 M 8.00 4.39 0.00 2.49 2.40 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 30 A 7.82 3.82 1.20 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 0.00 0.00 31 Q 8.10 4.29 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 32 G 8.13 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 33 K 8.10 4.25 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.40 7.81 34 A 7.48 4.74 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 35 P 0.00 4.40 0.00 2.07 2.02 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 36 F 8.68 4.52 0.00 3.11 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 37 D 7.64 4.18 0.00 2.54 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 0.00 0.00 0.00 0.00 38 A 8.15 3.70 1.29 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 0.00 0.00 0.00 39 K 7.87 3.87 0.00 1.82 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 40 V 7.84 3.73 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 0.96 0.00 0.00 0.94 0.00 0.00 41 A 8.25 3.96 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 42 A 8.19 3.93 1.41 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 0.00 0.00 0.00 43 E 8.27 3.90 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 44 N 8.18 4.42 0.00 2.90 3.08 0.00 0.00 7.14 7.55 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 45 I 8.17 3.86 1.90 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 1.52 0.89 0.98 0.00 0.00 46 A 8.10 3.98 1.41 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 0.00 0.00 0.00 47 L 7.96 3.89 0.00 1.81 1.67 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.89 3.64 2.32 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 1.18 0.00 0.00 1.20 0.00 0.00 49 S 8.08 4.01 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.95 4.02 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 L 8.32 3.82 0.00 1.70 1.71 0.93 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 52 S 8.21 4.39 0.00 3.97 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 0.00 53 K 7.71 4.20 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.72 7.81 54 L 7.96 4.01 0.00 1.99 1.74 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.20 0.00 1.42 1.42 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.57 0.00 56 L 7.46 4.69 0.00 1.82 1.92 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.13 4.49 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 58 A 7.76 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.11 4.71 0.00 3.00 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 60 G 8.06 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 61 P 0.00 4.22 0.00 2.17 2.11 0.00 3.87 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 2.03 2.02 0.00 62 G 8.59 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.04 4.45 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 1.18 0.00 0.00 64 D 7.66 4.16 0.00 2.27 1.54 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 0.00 65 K 7.72 4.55 0.00 1.74 1.55 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 0.96 7.81 66 G 8.63 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 H 9.48 4.21 0.00 3.02 3.09 0.00 7.33 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.23 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 69 T 8.20 4.04 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 1.34 0.00 0.00 70 E 8.77 4.77 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 71 A 7.96 4.81 1.49 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 0.00 0.00 72 K 9.09 4.23 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.54 7.81 73 P 0.00 4.58 0.00 2.26 2.22 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 74 A 8.28 4.58 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 75 V 8.01 2.59 0.67 0.00 0.00 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 0.00 0.00 0.45 0.00 0.00 76 W 8.06 4.36 0.00 3.51 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 77 S 8.34 4.36 0.00 4.12 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 78 D 8.31 5.03 0.00 2.86 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 79 A 8.34 4.17 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 80 A 8.06 4.03 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 81 G 8.24 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.19 3.29 0.00 2.27 2.78 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 83 K 8.33 3.90 0.00 1.79 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.34 7.81 84 A 7.90 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.87 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 86 A 7.69 3.84 1.14 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 87 D 8.12 4.32 0.00 2.91 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 88 K 8.25 3.94 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 89 F 8.32 4.42 0.00 2.96 3.26 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 90 A 8.22 3.66 1.33 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 0.00 0.00 91 A 8.06 3.82 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 92 A 8.06 3.88 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 93 V 7.58 3.37 1.77 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 0.91 0.00 0.00 0.08 0.00 0.00 94 D 7.73 4.28 0.00 2.95 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 95 K 7.92 3.92 0.00 1.98 1.84 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 96 L 8.08 3.97 0.00 1.77 1.84 1.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.20 4.27 0.00 2.73 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 98 A 8.14 4.09 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 99 A 8.40 4.03 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 0.00 100 G 8.00 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 0.00 101 K 8.02 4.19 0.00 1.87 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.59 7.81 102 T 7.98 4.14 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 1.30 0.00 0.00 103 G 7.62 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 0.00 104 D 7.84 4.65 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.82 3.45 0.00 2.23 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 0.00 106 A 8.22 4.09 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 0.00 107 Q 7.77 3.86 0.00 2.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 108 I 7.63 3.61 1.77 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.86 0.00 0.00 109 K 7.89 3.65 0.00 0.99 1.46 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 110 A 7.73 3.93 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 0.00 111 A 8.18 3.98 1.41 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 0.00 0.00 0.00 112 V 8.42 3.95 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 0.74 0.00 0.00 0.94 0.00 0.00 113 G 8.12 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 0.00 114 E 7.91 3.94 0.00 2.13 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 2.32 2.35 0.00 115 T 8.25 4.14 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 116 G 8.56 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 0.00 117 G 8.04 3.63 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 0.00 118 A 8.05 4.12 1.52 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 0.00 0.00 119 C 7.89 3.71 0.00 2.90 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 0.00 120 K 7.95 3.97 0.00 1.78 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 121 G 8.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.89 4.05 0.00 2.92 2.78 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 0.00 123 H 8.40 4.14 0.00 3.34 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.16 4.38 0.00 2.68 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 0.00 125 K 7.13 3.95 0.00 1.76 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 126 F 7.94 5.23 0.00 3.13 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 0.00 127 K 8.17 4.93 0.00 1.56 1.64 0.00 1.52 0.00 0.00 1.04 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.41 7.81 128 E 9.09 4.20 0.00 2.04 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 0.00 2.17 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.