NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7521 8.3033 120.6520 56.0114 32.0876 172.2940 7 I 4.3428 7.7806 118.6908 60.2837 37.9825 173.9296 8 R 4.6395 9.8941 129.6448 55.0164 32.3641 171.1958 9 L 5.1037 8.4394 123.3833 52.2703 43.9143 176.0764 10 R 4.7223 8.7253 122.0229 53.7370 34.7641 174.5800 11 K 4.3489 8.5392 122.5692 56.1476 32.9030 176.2211 12 A 4.1600 8.6789 131.1959 51.4946 18.5789 176.9930 13 E 4.1665 9.0325 121.6614 57.2125 31.3231 178.4706 14 G 3.8019 8.7463 108.6971 44.6462 0.0000 170.7544 15 K 4.6655 8.4418 120.1883 55.1031 33.9041 176.7514 16 W 5.1640 9.4106 127.4789 54.8988 32.3746 174.8560 17 V 5.0588 9.1818 123.3071 61.1302 34.7142 173.8574 18 I 4.8725 8.5787 127.0817 59.0911 40.6492 174.3866 19 R 4.9974 8.7646 124.6320 55.6442 33.5927 173.7499 20 T 4.5212 8.1125 110.3119 59.8171 71.0520 173.7931 21 D 4.5678 8.5442 119.5558 55.2308 39.6422 176.5575 22 S 4.5807 8.1663 111.4681 57.6708 64.9001 173.3647 23 A 4.5114 7.5240 122.7566 51.2155 21.7708 175.0816 24 V 4.3443 8.1594 119.9165 61.5331 32.6099 175.7198 25 L 4.4398 8.3867 127.3110 55.7136 43.3366 176.7101 26 G 4.2607 7.2048 102.6423 44.7013 0.0000 172.3599 27 E 5.4505 8.8231 121.9569 54.7258 33.1486 174.9943 28 T 4.7415 9.2389 117.3850 61.0133 71.2439 173.9440 29 L 4.9383 8.5947 124.7203 54.2368 42.3580 176.3491 30 N 5.0667 8.0775 116.3864 52.6152 39.8550 174.5997 31 A 4.2382 7.9955 119.0873 52.1072 20.1580 177.3202 32 I 4.7208 8.5697 121.2037 59.3979 40.4223 174.2632 33 E 4.7230 9.2044 128.3914 54.7203 31.3160 174.1433 34 L 5.0760 8.9774 129.5683 53.6435 44.7068 174.8494 35 T 4.8506 8.8842 123.3394 61.6531 71.6871 172.6045 36 E 4.5867 8.7843 127.4507 53.9132 31.7788 175.3264 37 G 3.6413 8.2799 117.8503 47.3553 0.0000 173.8321 38 S 4.6813 8.6256 118.9980 57.7341 63.0836 174.5061 39 R 4.2052 7.7126 119.7585 56.0715 30.3946 176.3091 40 D 4.5321 8.5045 119.8784 53.9509 41.3765 175.0769 41 P 4.7224 0.0000 0.0000 63.0335 32.3911 175.5015 42 V 4.5321 8.8957 121.6423 61.3034 34.3615 174.1935 43 I 4.4839 8.3509 128.2261 60.4137 38.5017 174.4477 44 Y 4.6991 9.1010 125.1755 56.3468 40.2925 174.6112 45 F 5.0002 9.6406 124.1490 54.7906 41.4964 174.0117 46 P 3.2489 0.0000 0.0000 62.0157 31.9627 177.2275 47 R 3.6816 8.3687 121.8765 59.3524 30.0959 178.2329 48 E 3.9234 7.9932 113.9419 58.4553 29.6110 176.9076 49 D 4.6941 8.0410 118.6736 53.8901 41.5210 175.6494 50 V 4.3596 7.3675 119.3485 60.6004 33.4325 175.2300 51 A 4.1601 8.5488 129.9314 51.9474 19.0152 177.9046 *53 V 3.8773 7.9321 118.1026 61.4406 32.8156 175.5816 *55 F 4.7860 7.9368 117.2250 58.7317 40.4811 174.7324 56 D 5.1253 9.1813 122.6202 52.0006 43.7982 175.4449 57 K 3.7202 9.0515 125.3993 56.7085 32.7111 175.9992 58 S 4.8045 8.4068 122.5677 56.4973 63.8051 173.9758 59 E 4.0458 8.7250 121.2123 58.7399 29.9165 177.5958 60 K 4.0520 8.2776 122.3006 56.6406 33.0672 176.3678 61 V 5.3227 8.2310 119.0252 59.9863 36.0664 174.7572 62 T 4.7990 8.7558 111.1829 60.0500 72.3582 172.3541 63 A 5.0373 8.6602 125.3009 50.6853 21.0528 175.7142 64 C 4.7905 9.0644 122.6804 56.9075 33.8568 173.4278 65 P 4.2810 0.0000 0.0000 65.3568 31.4750 177.8112 66 L 4.1789 7.9126 117.1068 57.1356 42.2518 177.9814 67 K 3.8886 7.6445 117.1391 57.9797 33.3670 174.6989 68 G 3.8691 7.6974 104.1242 43.9662 0.0000 171.4491 69 E 4.9875 8.9291 123.0313 55.1560 31.0445 176.7203 70 A 3.9959 9.2155 130.1465 51.1468 20.0162 176.3729 71 S 4.7832 9.0426 119.9278 58.1961 64.7821 173.2768 72 Y 5.1539 8.1855 119.9277 56.6437 41.4175 174.3679 73 Y 5.2674 9.2547 118.5082 56.6546 42.6293 174.6729 74 S 5.1611 9.4090 119.4253 57.3493 65.6257 173.0600 75 I 4.2928 8.3475 123.7813 59.4183 39.4693 174.6772 76 V 4.4148 8.2626 126.8023 61.6390 33.3883 175.2182 77 G 4.0233 8.5953 114.3701 44.5613 0.0000 172.4905 78 A 3.9769 8.7403 121.0602 55.3163 18.2579 179.1544 79 S 4.3772 8.1819 108.9505 58.6573 64.0857 173.4570 80 G 3.7288 6.8638 106.2671 44.4661 0.0000 172.1384 81 T 4.7568 8.2525 117.3888 62.8075 70.0477 175.1366 82 L 4.4478 9.1522 127.1805 52.9877 42.4965 175.5764 83 K 4.2479 8.5705 126.1041 56.7459 32.9219 176.2167 84 D 4.6654 8.6695 127.3549 55.5636 39.2486 174.3746 85 A 4.6276 8.1444 119.3930 53.2729 19.9907 177.7541 86 A 4.9229 8.4245 116.6310 49.8936 23.2007 174.9690 87 W 5.4588 7.8293 115.1971 55.4626 31.8689 173.6842 88 S 4.9420 8.8556 114.2641 57.4606 66.0650 172.8596 89 Y 4.6744 8.8655 124.8025 57.1646 37.2276 175.8209 90 E 4.3255 8.8450 124.3383 58.2793 30.4205 177.9245 91 S 4.6706 7.6723 113.4201 56.0275 63.4754 171.5307 92 P 4.7412 0.0000 0.0000 61.8394 32.7788 176.5251 93 K 4.2638 8.7626 122.1866 55.8531 33.6056 176.0746 94 E 4.4136 7.9491 122.7079 57.5653 29.3843 176.6882 95 G 4.0184 9.5189 115.1818 45.2881 0.0000 174.1929 96 L 4.5504 7.5705 118.2559 54.4711 41.9518 178.2882 97 E 3.9800 8.0279 120.6574 58.7878 29.6026 179.0586 98 A 3.8153 7.8861 121.2248 54.3219 18.6410 177.9481 99 I 3.0787 7.1973 107.3324 59.9210 37.7459 175.0060 100 A 4.2430 7.3491 124.7655 54.4386 18.1034 178.9426 101 G 4.1005 9.0360 111.7953 45.5577 0.0000 173.2018 102 Y 4.5028 8.3789 117.9891 58.0214 39.4082 174.5928 103 L 4.7260 9.0162 121.7926 53.0719 44.4246 175.5655 104 A 4.6849 7.5074 123.3611 49.7616 22.6241 174.8437 105 F 4.9304 7.7712 115.9097 55.1574 43.0814 174.9680 106 A 4.6441 9.4423 125.6325 51.5218 18.5012 176.9975 107 P 4.7799 0.0000 0.0000 64.2474 31.9779 178.2232 108 D 4.5726 8.2217 118.4277 55.9856 39.3914 176.8307 109 C 4.8286 7.7629 111.6700 57.7766 31.4042 173.0978 110 T 4.8741 7.8548 108.7868 60.1833 72.6013 172.3403 111 K 4.6661 9.0457 123.4128 54.5962 35.0733 174.8610 112 V 4.9947 8.2472 126.2711 61.0857 34.4565 174.4528 113 G 3.9455 8.5507 112.7248 45.7920 0.0000 171.9868 114 Q 3.4526 7.3723 121.7249 54.8709 29.9284 175.1923 115 Y 3.9619 8.5341 125.9174 57.8464 38.7985 175.0627 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 6 H 8.30 4.75 0.00 3.20 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.78 4.34 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.82 0.00 0.00 8 R 9.89 4.64 0.00 1.44 1.78 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 9 L 8.44 5.10 0.00 1.40 1.49 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.73 4.72 0.00 1.65 1.73 0.00 3.11 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 11 K 8.54 4.35 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 A 8.68 4.16 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.03 4.17 0.00 2.18 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 0.00 2.42 2.45 0.00 14 G 8.75 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 0.00 0.00 0.00 15 K 8.44 4.67 0.00 1.84 1.70 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 16 W 9.41 5.16 0.00 3.19 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 17 V 9.18 5.06 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 0.97 0.00 0.00 1.06 0.00 0.00 18 I 8.58 4.87 0.56 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.33 -0.11 0.00 0.00 19 R 8.76 5.00 0.00 2.02 1.90 0.00 2.76 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 20 T 8.11 4.52 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 1.14 0.00 0.00 21 D 8.54 4.57 0.00 2.80 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 22 S 8.17 4.58 0.00 3.92 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 23 A 7.52 4.51 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 24 V 8.16 4.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 25 L 8.39 4.44 0.00 1.40 1.75 0.80 0.51 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 26 G 7.20 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 27 E 8.82 5.45 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 28 T 9.24 4.74 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 1.29 0.00 0.00 29 L 8.59 4.94 0.00 1.69 1.71 0.93 1.08 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 30 N 8.08 5.07 0.00 2.65 2.81 0.00 0.00 6.88 6.97 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 31 A 8.00 4.24 0.66 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 0.00 0.00 32 I 8.57 4.72 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.69 0.82 0.00 0.00 33 E 9.20 4.72 0.00 1.72 1.69 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 2.18 2.09 0.00 34 L 8.98 5.08 0.00 1.70 1.78 0.64 0.95 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 35 T 8.88 4.85 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 1.25 0.00 0.00 36 E 8.78 4.59 0.00 2.00 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 2.24 2.24 0.00 37 G 8.28 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 38 S 8.63 4.68 0.00 3.98 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 39 R 7.71 4.21 0.00 1.93 1.95 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 40 D 8.50 4.53 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.72 0.00 2.08 2.07 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 42 V 8.90 4.53 2.41 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 1.08 0.00 0.00 1.16 0.00 0.00 43 I 8.35 4.48 1.84 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.12 0.00 0.00 44 Y 9.10 4.70 0.00 3.03 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 45 F 9.64 5.00 0.00 3.14 2.94 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 46 P 0.00 3.25 0.00 1.88 1.35 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.74 0.00 47 R 8.37 3.68 0.00 1.91 1.85 0.00 3.10 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 48 E 7.99 3.92 0.00 2.06 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 2.16 2.27 0.00 49 D 8.04 4.69 0.00 2.88 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 50 V 7.37 4.36 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 0.31 0.00 0.00 0.91 0.00 0.00 51 A 8.55 4.16 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 *53 V 7.93 3.88 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 0.80 0.00 0.00 0.96 0.00 0.00 *55 F 7.94 4.79 0.00 2.79 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.18 5.13 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.05 3.72 0.00 1.76 1.65 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 0.68 7.81 58 S 8.41 4.80 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.73 4.05 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.87 0.00 60 K 8.28 4.05 0.00 1.68 1.54 0.00 1.30 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.79 1.11 7.81 61 V 8.23 5.32 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 0.84 0.00 0.00 0.98 0.00 0.00 62 T 8.76 4.80 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 1.12 0.00 0.00 63 A 8.66 5.04 1.27 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 0.00 0.00 64 C 9.06 4.79 0.00 3.04 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 65 P 0.00 4.28 0.00 2.06 2.09 0.00 3.72 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 2.02 2.11 0.00 66 L 7.91 4.18 0.00 1.57 1.65 0.94 0.82 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 67 K 7.64 3.89 0.00 1.07 0.76 0.00 1.03 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.20 7.81 68 G 7.70 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 0.00 0.00 0.00 69 E 8.93 4.99 0.00 2.07 1.95 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 2.30 2.38 0.00 70 A 9.22 4.00 0.77 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 0.00 0.00 71 S 9.04 4.78 0.00 3.79 3.67 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 72 Y 8.19 5.15 0.00 3.19 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 73 Y 9.25 5.27 0.00 3.06 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 74 S 9.41 5.16 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.35 4.29 1.68 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 -0.18 0.67 0.48 0.00 0.00 76 V 8.26 4.41 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 0.76 0.00 0.00 0.92 0.00 0.00 77 G 8.60 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 78 A 8.74 3.98 1.28 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 79 S 8.18 4.38 0.00 3.86 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 80 G 6.86 3.73 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 0.00 0.00 0.00 81 T 8.25 4.76 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 82 L 9.15 4.45 0.00 1.54 1.65 0.94 0.90 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 83 K 8.57 4.25 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 84 D 8.67 4.67 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.14 4.63 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 86 A 8.42 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.83 5.46 0.00 2.56 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 0.00 0.00 0.00 0.00 88 S 8.86 4.94 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.87 4.67 0.00 3.02 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 90 E 8.85 4.33 0.00 2.03 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 0.00 2.42 2.57 0.00 91 S 7.67 4.67 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.74 0.00 1.94 1.91 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 93 K 8.76 4.26 0.00 1.77 1.69 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 94 E 7.95 4.41 0.00 1.95 1.83 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 2.26 2.14 0.00 95 G 9.52 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 96 L 7.57 4.55 0.00 1.75 1.44 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.03 3.98 0.00 2.01 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 0.00 2.37 2.33 0.00 98 A 7.89 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.20 3.08 1.38 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.39 0.40 0.00 0.00 100 A 7.35 4.24 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 0.00 101 G 9.04 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 0.00 0.00 0.00 102 Y 8.38 4.50 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.02 4.73 0.00 1.34 0.81 0.48 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.51 4.68 -0.53 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 0.00 105 F 7.77 4.93 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.44 4.64 1.63 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 0.00 107 P 0.00 4.78 0.00 2.32 2.43 0.00 4.07 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 108 D 8.22 4.57 0.00 2.85 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 0.00 109 C 7.76 4.83 0.00 3.17 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 0.00 110 T 7.85 4.87 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 1.27 0.00 0.00 111 K 9.05 4.67 0.00 1.78 1.63 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.36 7.81 112 V 8.25 4.99 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 1.33 0.00 0.00 1.04 0.00 0.00 113 G 8.55 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 0.00 114 Q 7.37 3.45 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.04 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 115 Y 8.53 3.96 0.00 2.82 2.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.