NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7127 8.4201 119.2042 53.6097 41.7882 176.4103 0 A 4.0950 8.0059 124.3303 50.9013 17.6230 178.3049 2 K 4.0448 9.1031 117.1006 57.9564 31.9656 172.9638 3 K 4.0539 8.3093 129.4474 57.5643 32.8254 177.0349 4 G 3.8454 8.8271 107.3244 44.5820 0.0000 172.6796 5 T 4.3870 8.1545 106.0190 61.1248 70.0478 174.4853 6 V 3.9936 7.5724 122.3113 61.9125 30.2594 174.5632 7 L 4.3086 8.0784 126.3859 55.9299 42.7352 177.9985 8 N 4.4749 7.9447 117.7157 53.2682 40.4732 175.6428 9 S 4.1223 8.6089 122.9433 61.6601 63.3131 176.5882 10 E 3.9796 8.2022 121.8038 59.0391 29.3557 179.1386 11 I 3.6879 7.9500 119.7871 64.4878 37.3073 178.6054 12 S 4.1235 8.2104 116.0313 61.5830 62.4286 176.7711 13 S 4.0576 7.8717 114.5366 61.4490 62.5170 176.0829 14 V 3.7272 7.9556 121.0221 66.0642 31.2612 177.9918 15 I 3.7493 7.8690 119.8530 64.3015 36.7668 178.1893 16 S 4.3460 7.8861 112.6150 60.0618 63.0892 175.4400 17 R 4.3968 7.5544 120.2680 55.3095 31.0053 176.4164 18 L 4.2518 7.3477 119.9872 54.5200 42.3715 176.4045 19 G 4.1627 9.3856 111.0811 43.0372 0.0000 171.7721 20 H 4.4097 8.6153 118.7643 58.0311 29.8077 175.4619 21 T 3.4363 8.7575 115.8769 61.6494 68.7489 171.9356 22 D 4.6686 7.9619 122.9732 54.9481 42.2964 175.4732 23 T 5.1337 8.4057 110.5159 59.8969 72.6628 172.3547 24 L 5.0927 8.7920 124.0082 53.4695 45.7199 174.9988 25 V 4.7799 8.8045 126.2490 61.2871 33.9822 174.2732 26 V 4.9824 8.6627 127.6224 61.3334 33.7130 174.1637 27 C 5.7545 9.1893 122.1712 56.4468 33.7961 172.8113 28 D 5.3038 9.5715 119.6942 52.0068 41.0066 177.2916 29 A 4.0808 9.1244 121.5780 54.1199 18.2837 178.4936 30 G 3.9506 8.1859 103.1780 44.9657 0.0000 173.8451 31 L 4.1606 7.5941 123.3949 53.8764 42.6193 174.8509 32 P 4.4220 0.0000 0.0000 62.6529 32.0460 175.6611 33 I 4.4204 7.9940 121.2189 58.7690 38.9931 174.0264 34 P 4.4426 0.0000 0.0000 62.4312 31.7408 177.0601 35 N 4.6184 8.5603 117.5870 54.1532 37.7096 175.8778 36 S 4.4039 7.9027 112.7072 59.4384 63.5407 173.4463 37 T 4.7748 7.3723 115.1063 60.0997 70.5470 173.2136 38 A 4.2129 8.2464 127.6720 51.9365 19.8862 176.4266 39 R 4.6066 8.5449 121.8587 54.8345 31.8344 175.5642 40 I 4.3408 8.7225 128.8608 59.8402 38.6410 174.5285 41 D 4.9157 8.5144 126.4016 52.8228 43.0198 175.4390 *43 A 4.0189 8.2989 123.8824 52.3163 19.0920 175.9615 44 L 4.1694 8.7842 124.9177 56.9596 42.9072 176.0782 45 T 4.4244 7.3367 109.8780 60.6582 70.1807 171.7893 46 Q 4.0099 8.6191 121.9704 57.7616 28.6359 177.9641 47 G 3.8927 9.3429 111.3485 45.4497 0.0000 173.0462 48 V 4.4490 7.9940 120.2282 60.2725 34.3825 173.2780 49 P 5.0519 0.0000 0.0000 62.2491 33.1569 175.8781 50 S 4.6552 9.3567 116.1826 57.2365 64.8067 175.2009 51 F 4.2442 9.1175 119.6985 59.6088 39.1974 176.8629 *53 Q 4.1966 8.1576 119.8144 55.6089 30.6750 177.8626 54 V 3.4836 7.5685 116.7427 65.8528 31.5393 178.0901 55 V 3.3608 7.5478 118.2616 65.9847 31.0352 177.3393 56 D 4.2666 7.8118 115.6731 57.4280 41.5352 177.9966 57 V 3.6917 7.7086 118.6031 65.9153 31.5040 177.9411 58 V 3.5979 7.9354 118.4653 66.2607 31.1837 177.5579 59 T 4.2297 7.7991 106.1882 63.1661 68.9568 176.3399 60 R 4.0911 7.7548 120.8776 58.1703 30.5322 176.6479 61 E 4.4829 7.7255 118.1110 55.7901 30.1358 176.4101 *63 Q 4.2455 7.8759 117.2646 55.9674 30.6560 175.1490 64 V 4.8571 8.9584 125.2234 61.2534 32.2568 175.1392 65 E 4.6640 9.2873 125.1519 57.0039 31.9051 175.2391 66 A 4.8448 7.6333 119.8034 51.0916 23.0448 174.8014 67 A 5.1274 9.2622 120.5897 50.4050 23.0872 175.3350 68 I 4.9869 8.9772 122.3858 59.5135 40.5279 174.8904 69 L 5.2323 8.6262 125.0018 52.5319 46.4331 175.8597 70 A 4.6931 8.0365 123.4904 52.0576 19.4171 178.9880 71 T 3.8865 8.9878 119.8045 66.9406 68.4699 176.8687 72 E 3.6698 7.8395 119.6953 59.0686 29.1973 179.0122 73 I 3.6695 7.4494 118.7930 63.5755 37.6921 177.9756 74 K 3.7335 7.4591 118.8582 59.4938 31.9874 178.5066 75 Q 4.1184 7.8020 117.3476 58.1417 29.3946 176.6526 76 Q 4.4908 7.7822 116.2248 55.7112 30.8291 175.6467 77 N 5.0186 8.1198 119.2548 50.7417 39.9046 173.2304 78 P 4.2822 0.0000 0.0000 66.4009 31.9133 178.4078 79 Q 3.9901 8.0144 117.3000 58.3089 28.7063 178.1434 80 L 3.9989 7.8571 121.2552 58.0625 42.2246 177.9967 81 H 4.1873 8.4489 118.6003 59.3901 29.7126 176.7586 82 E 3.8596 8.3955 120.8805 59.7019 29.5102 178.8058 83 T 3.8928 7.9215 115.7807 66.6118 68.4318 176.3918 84 L 4.1021 8.1868 122.2070 58.1263 42.1399 178.9846 85 L 4.0348 8.0665 118.9768 58.0968 41.5555 179.5887 86 T 3.8719 8.1068 115.7148 66.8979 68.3642 176.1483 87 H 4.3822 8.4566 120.1100 59.4446 29.9583 177.3949 88 L 4.0125 8.3865 121.1011 57.4288 41.2103 179.1565 89 E 3.9254 8.2652 119.6646 59.4324 29.5942 178.9558 90 Q 3.9522 8.0448 118.1541 58.6064 28.7052 178.2888 91 L 3.9551 8.2666 122.1500 58.2169 42.1249 179.0682 92 Q 4.3892 8.0667 118.8890 58.9080 28.2011 178.5657 93 Q 3.9470 7.5997 118.9969 59.1678 28.8282 178.2468 94 H 4.4373 7.8762 116.0921 58.8293 28.8376 177.6239 95 Q 4.2028 8.4891 119.4480 56.4913 28.5742 176.7169 96 G 3.8985 8.1774 107.7201 46.3223 0.0000 172.7431 97 N 4.9487 7.7547 117.3748 51.1684 40.1253 171.8925 98 T 4.5018 8.2740 111.9503 60.6590 69.4470 173.8109 99 I 4.3267 8.3235 130.4737 60.4452 38.0466 175.6938 100 K 4.2044 8.7576 129.9619 56.2775 33.2577 175.4811 101 I 5.0702 8.3754 127.9739 59.6256 39.4450 174.9008 102 S 4.7445 8.6548 119.8771 56.9877 67.0590 172.2186 103 Y 5.2719 8.5465 117.2227 56.5248 41.2384 174.8636 104 T 4.9731 8.8002 112.3969 59.7189 73.2539 173.3556 105 T 4.2973 8.4085 111.1542 61.5480 69.6510 174.8497 106 H 4.2178 8.8558 122.4193 59.5231 29.6468 177.4799 107 E 3.9797 8.2686 119.9865 59.6303 29.3771 179.0443 108 Q 3.9997 8.1867 119.4800 58.7757 29.0983 177.6283 109 F 4.0704 8.5462 122.2581 61.4809 39.2044 177.1764 110 K 3.9716 8.1855 116.5230 59.4976 32.2061 179.0999 111 K 4.0936 7.8605 118.5571 59.5859 32.0381 179.4475 112 L 3.9803 7.9792 119.3145 57.7622 41.5373 179.6091 113 T 3.7290 7.7685 109.5795 64.4663 68.2846 176.1595 114 A 4.0985 7.7632 122.3596 54.0545 18.4399 178.0824 115 D 4.6884 7.6656 115.6880 53.2973 41.6241 176.8366 116 S 4.8377 6.8859 113.9367 57.1672 64.4399 174.4067 117 Q 4.2581 8.9430 120.5525 58.9825 29.5283 176.1598 118 A 4.9181 7.6444 114.9901 50.8609 23.4510 175.4137 119 V 4.6154 8.7291 120.2585 61.2364 34.0968 174.5590 120 I 4.7002 9.1692 130.2957 59.9679 38.6623 174.6398 121 R 4.7095 8.8576 129.5435 55.2697 30.8756 176.2809 122 S 4.6398 8.8458 122.1261 56.9580 65.6613 174.0364 123 G 4.0152 8.9473 105.2766 46.3056 0.0000 173.3848 124 E 4.4873 8.4516 123.3930 56.6619 30.1862 177.2021 125 C 4.5684 8.7549 123.0669 59.7036 29.7103 174.2154 126 S 4.3588 7.5057 113.2872 57.0700 63.3383 172.1370 127 P 4.1410 0.0000 0.0000 63.5948 31.6389 175.8647 128 Y 3.4184 7.7206 117.5691 59.1719 35.8461 171.3615 129 A 3.9783 7.3551 120.4778 50.6503 16.1978 177.6652 130 N 5.5964 7.4914 116.9638 50.8751 43.2623 175.7454 131 V 5.0081 9.5121 122.4858 60.2602 35.5360 174.2079 132 I 4.6724 9.0401 124.7701 60.0490 38.8694 174.4521 133 L 5.0356 8.8916 127.9776 53.3943 43.9120 175.2433 134 C 5.1355 8.9031 121.3498 57.8125 30.7171 173.0830 135 A 4.6666 8.9773 126.4184 51.8861 19.1703 176.6349 136 G 4.3411 8.0944 106.6667 46.3558 0.0000 174.1569 137 V 4.1334 8.3005 114.2524 61.2855 32.4608 175.7833 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 8.42 4.71 0.00 2.68 2.91 0.00 0.00 6.98 7.08 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 A 8.01 4.10 1.17 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 0.00 0.00 2 K 9.10 4.04 0.00 1.80 2.10 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.31 4.05 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.83 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 5 T 8.15 4.39 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 1.20 0.00 0.00 6 V 7.57 3.99 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 0.82 0.00 0.00 0.94 0.00 0.00 7 L 8.08 4.31 0.00 1.66 1.69 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.94 4.47 0.00 2.74 2.68 0.00 0.00 6.99 7.63 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 9 S 8.61 4.12 0.00 4.08 4.10 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 10 E 8.20 3.98 0.00 2.15 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 2.39 2.34 0.00 11 I 7.95 3.69 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 0.90 0.00 0.00 12 S 8.21 4.12 0.00 3.99 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 13 S 7.87 4.06 0.00 3.87 4.07 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 14 V 7.96 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 0.97 0.00 0.00 0.99 0.00 0.00 15 I 7.87 3.75 1.86 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 1.57 0.56 0.91 0.00 0.00 16 S 7.89 4.35 0.00 4.06 4.10 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 17 R 7.55 4.40 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 18 L 7.35 4.25 0.00 1.74 1.60 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.39 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 20 H 8.62 4.41 0.00 3.09 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.76 3.44 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 0.86 0.00 0.00 22 D 7.96 4.67 0.00 2.77 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 23 T 8.41 5.13 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 1.21 0.00 0.00 24 L 8.79 5.09 0.00 1.71 1.48 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.80 4.78 2.09 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 1.06 0.00 0.00 0.84 0.00 0.00 26 V 8.66 4.98 1.96 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 0.75 0.00 0.00 0.84 0.00 0.00 27 C 9.19 5.75 0.00 3.32 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 28 D 9.57 5.30 0.00 3.01 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 29 A 9.12 4.08 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 30 G 8.19 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 31 L 7.59 4.16 0.00 1.80 1.67 1.11 1.13 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 32 P 0.00 4.42 0.00 2.24 2.06 0.00 3.83 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 2.03 2.02 0.00 33 I 7.99 4.42 1.88 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 1.45 0.86 0.92 0.00 0.00 34 P 0.00 4.44 0.00 2.16 1.96 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 35 N 8.56 4.62 0.00 2.81 2.93 0.00 0.00 6.12 7.64 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 36 S 7.90 4.40 0.00 3.99 4.01 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 37 T 7.37 4.77 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 1.29 0.00 0.00 38 A 8.25 4.21 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 39 R 8.54 4.61 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.72 4.34 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 1.11 0.67 0.91 0.00 0.00 41 D 8.51 4.92 0.00 2.69 2.55 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 *43 A 8.30 4.02 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 44 L 8.78 4.17 0.00 1.61 1.88 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.34 4.42 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 1.22 0.00 0.00 46 Q 8.62 4.01 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.34 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 48 V 7.99 4.45 2.09 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 0.99 0.00 0.00 0.99 0.00 0.00 49 P 0.00 5.05 0.00 2.16 2.15 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.36 4.66 0.00 3.96 4.07 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 51 F 9.12 4.24 0.00 3.14 3.16 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 *53 Q 8.16 4.20 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 54 V 7.57 3.48 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 1.00 0.00 0.00 0.97 0.00 0.00 55 V 7.55 3.36 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 0.93 0.00 0.00 0.18 0.00 0.00 56 D 7.81 4.27 0.00 2.53 2.76 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 57 V 7.71 3.69 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 0.92 0.00 0.00 0.92 0.00 0.00 58 V 7.94 3.60 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 0.97 0.00 0.00 0.95 0.00 0.00 59 T 7.80 4.23 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 1.28 0.00 0.00 60 R 7.75 4.09 0.00 2.01 2.03 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 61 E 7.73 4.48 0.00 1.91 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 2.25 2.24 0.00 *63 Q 7.88 4.25 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 V 8.96 4.86 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 0.86 0.00 0.00 0.93 0.00 0.00 65 E 9.29 4.66 0.00 2.06 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 0.00 2.36 2.25 0.00 66 A 7.63 4.84 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 67 A 9.26 5.13 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 68 I 8.98 4.99 1.92 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 1.20 0.70 1.00 0.00 0.00 69 L 8.63 5.23 0.00 1.32 1.50 0.98 0.96 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 70 A 8.04 4.69 1.03 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 0.00 0.00 71 T 8.99 3.89 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 1.09 0.00 0.00 72 E 7.84 3.67 0.00 1.16 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 1.79 2.07 0.00 73 I 7.45 3.67 1.78 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 1.48 1.37 0.92 0.00 0.00 74 K 7.46 3.73 0.00 1.68 1.71 0.00 1.40 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.02 7.81 75 Q 7.80 4.12 0.00 1.93 2.05 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 2.27 2.46 0.00 76 Q 7.78 4.49 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 77 N 8.12 5.02 0.00 2.83 2.62 0.00 0.00 6.82 7.49 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 78 P 0.00 4.28 0.00 2.31 2.41 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 79 Q 8.01 3.99 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 80 L 7.86 4.00 0.00 1.72 1.59 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.45 4.19 0.00 3.31 3.50 0.00 5.66 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 82 E 8.40 3.86 0.00 2.36 1.93 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 2.41 2.39 0.00 83 T 7.92 3.89 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 1.26 0.00 0.00 84 L 8.19 4.10 0.00 1.99 2.01 1.12 0.76 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 85 L 8.07 4.03 0.00 1.87 1.71 0.83 0.58 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 86 T 8.11 3.87 4.42 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 1.23 0.00 0.00 87 H 8.46 4.38 0.00 3.27 3.52 0.00 5.78 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 88 L 8.39 4.01 0.00 1.85 1.70 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.27 3.93 0.00 2.30 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 2.30 2.35 0.00 90 Q 8.04 3.95 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 91 L 8.27 3.96 0.00 1.68 1.75 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.07 4.39 0.00 2.57 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 93 Q 7.60 3.95 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 94 H 7.88 4.44 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.49 4.20 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 96 G 8.18 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 97 N 7.75 4.95 0.00 2.81 2.92 0.00 0.00 5.51 7.22 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 98 T 8.27 4.50 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 1.21 0.00 0.00 99 I 8.32 4.33 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.91 0.00 0.00 100 K 8.76 4.20 0.00 1.87 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 I 8.38 5.07 1.90 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 1.42 0.62 0.74 0.00 0.00 102 S 8.65 4.74 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 0.00 103 Y 8.55 5.27 0.00 2.90 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 0.00 104 T 8.80 4.97 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 0.00 105 T 8.41 4.30 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 1.23 0.00 0.00 106 H 8.86 4.22 0.00 3.38 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 3.98 0.00 2.06 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 2.46 2.36 0.00 108 Q 8.19 4.00 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.55 4.07 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 0.00 110 K 8.19 3.97 0.00 1.95 1.89 0.00 1.81 0.00 0.00 1.53 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 111 K 7.86 4.09 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 7.98 3.98 0.00 1.60 1.56 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.77 3.73 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 0.94 0.00 0.00 114 A 7.76 4.10 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 0.00 115 D 7.67 4.69 0.00 2.72 2.67 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 0.00 0.00 0.00 0.00 116 S 6.89 4.84 0.00 4.11 3.79 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 0.00 117 Q 8.94 4.26 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 118 A 7.64 4.92 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 0.00 119 V 8.73 4.62 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 1.09 0.00 0.00 0.93 0.00 0.00 120 I 9.17 4.70 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.90 0.00 0.00 121 R 8.86 4.71 0.00 1.83 1.85 0.00 3.27 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 122 S 8.85 4.64 0.00 4.09 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 0.00 123 G 8.95 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 0.00 0.00 0.00 124 E 8.45 4.49 0.00 2.35 1.93 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 2.30 2.40 0.00 125 C 8.75 4.57 0.00 2.97 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 0.00 126 S 7.51 4.36 0.00 4.13 3.87 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 0.00 127 P 0.00 4.14 0.00 2.14 1.85 0.00 4.00 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 128 Y 7.72 3.42 0.00 3.00 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 0.00 129 A 7.36 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.49 5.60 0.00 2.23 2.92 0.00 0.00 6.98 7.68 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 0.00 131 V 9.51 5.01 2.45 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 0.99 0.00 0.00 1.11 0.00 0.00 132 I 9.04 4.67 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.26 0.82 0.00 0.00 133 L 8.89 5.04 0.00 1.70 1.57 0.90 0.89 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 0.00 134 C 8.90 5.14 0.00 2.83 2.80 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 0.00 135 A 8.98 4.67 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 0.00 136 G 8.09 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 0.00 0.00 0.00 137 V 8.30 4.13 2.06 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 0.78 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.