NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7372 8.3544 109.7332 45.5155 0.0000 172.2044 *2 H 4.2600 8.2930 124.5908 55.4182 30.8635 172.4853 3 V 4.3580 8.1458 125.6119 61.1464 33.0936 174.0478 4 Y 4.7189 8.6506 124.3911 56.1476 40.2786 174.8288 5 E 4.8530 8.6093 123.3531 54.8710 32.7825 174.7742 6 S 4.7385 8.0712 114.5735 58.0063 66.2480 172.9079 7 D 4.9993 9.0882 118.6364 52.7253 45.2735 175.4081 8 V 5.0650 8.3783 120.7785 61.5924 34.4281 174.1908 9 S 4.9784 9.1405 121.9434 56.0558 66.8975 172.8630 10 W 4.9825 8.7551 130.5657 56.8280 30.8304 175.7988 11 I 3.7234 8.2874 129.0176 61.4718 37.2923 176.0863 12 D 3.3700 7.4441 116.2528 53.0666 42.2271 178.4877 13 D 4.3535 8.4547 121.0159 56.1696 40.4178 175.6723 14 R 4.9451 8.6594 123.0870 57.2505 30.5173 174.0984 15 R 5.8610 8.9093 117.7117 53.7999 33.5330 176.0010 16 T 5.2228 8.9265 112.9900 59.8143 72.7819 172.3556 17 E 5.0056 9.2821 123.8803 54.5120 32.4333 174.6921 18 V 4.5062 9.0203 128.2471 62.1517 33.3529 174.6339 19 S 5.2387 9.3886 124.4184 56.7878 65.8080 173.4794 20 V 4.4667 8.5837 124.9721 60.7272 34.4184 176.2642 21 G 3.8954 9.0173 119.3493 47.3313 0.0000 173.0844 22 D 4.7265 8.9449 122.9611 53.9486 41.2383 175.3234 23 H 4.8592 8.2549 118.0118 54.5457 30.2406 174.3159 24 R 5.2045 8.3748 120.7114 54.7154 33.6499 174.5358 25 I 4.5908 9.0047 124.9334 59.2776 40.8063 174.2643 26 E 4.7641 8.8271 127.9250 55.6647 30.6953 175.5941 27 V 4.6216 8.9640 126.6840 61.4231 34.6290 174.0100 28 D 5.6359 9.2159 127.0825 52.0806 45.2239 175.6093 29 S 4.5337 8.9769 116.3686 58.1125 64.0786 173.1413 30 P 3.4140 0.0000 0.0000 60.9469 32.3560 175.2304 31 P 4.5046 0.0000 0.0000 64.9648 31.2544 178.7163 32 E 3.6430 7.7420 114.1258 58.2438 29.4679 177.4163 33 F 4.7723 7.8881 116.5044 57.2785 39.3335 176.0435 34 G 3.9318 8.4360 108.9812 45.1524 0.0000 174.4457 35 G 4.5346 8.2178 109.3768 42.7535 0.0000 171.5354 36 P 4.6299 0.0000 0.0000 62.0078 32.2626 176.0392 37 E 4.3075 8.5469 119.2796 57.4220 30.1759 176.8764 38 G 3.8885 8.9733 107.7244 46.3867 0.0000 172.8586 39 Q 4.6280 7.4220 117.2611 53.0933 32.5608 175.2236 40 L 3.9961 7.9714 119.4076 54.9842 43.0678 176.0746 41 Y 5.6535 8.0129 118.5349 53.9344 42.1221 174.9176 42 P 4.3887 0.0000 0.0000 65.9862 31.1992 178.8837 43 E 4.4430 8.5991 116.4549 59.0226 29.7678 178.2788 44 T 4.4810 8.0398 108.6672 63.3555 69.9740 176.8452 45 L 4.0408 8.2784 121.9909 57.3352 41.6324 179.1596 46 F 4.0875 8.6015 120.7778 61.0061 39.4415 175.5140 47 P 3.9259 0.0000 0.0000 65.4397 30.9979 178.8451 48 S 4.0575 7.9178 113.8982 61.5708 62.6582 176.8849 49 V 3.5179 7.9405 121.2153 65.4373 31.0986 177.6069 50 L 3.6640 7.5608 120.1731 58.2829 41.8471 179.0665 51 A 3.9882 7.8416 120.3846 55.0221 18.1701 179.7615 52 S 3.9732 8.3656 114.2468 61.9855 62.8638 176.5147 53 C 4.0375 8.1809 122.8812 61.6093 31.1434 175.2633 54 L 3.9211 8.1096 122.2988 57.9658 41.5879 178.8313 55 L 3.1815 7.7783 120.3535 58.1985 41.6398 178.9483 56 T 3.6825 7.9216 110.0150 65.1042 68.0540 176.4645 57 T 3.7668 8.0374 118.6418 66.2510 68.5099 176.2769 58 F 4.1975 8.3911 122.8387 61.4974 39.3443 177.0513 59 L 3.9021 8.1033 118.6962 57.6090 41.2912 178.9898 60 E 3.6579 7.5844 118.8374 59.4960 29.2994 179.1146 61 F 3.9706 7.0648 116.1096 59.9754 39.1495 177.3176 62 K 3.7780 7.9785 119.7492 59.5680 31.7531 178.5508 63 D 4.3513 7.6871 117.4628 57.2952 40.7670 179.9259 64 R 4.1069 7.6441 114.6917 56.4142 30.0481 177.2865 *66 G 3.7813 7.9833 105.8003 45.3234 0.0000 173.5505 67 I 4.1929 7.7351 120.8805 60.4450 37.6441 176.6407 68 N 4.7252 9.3022 124.1703 52.0771 38.1458 172.7263 69 L 4.4780 8.2603 124.8353 54.9100 42.4560 175.9675 70 K 4.5700 9.3983 126.3867 58.2809 33.5828 176.8980 71 S 4.7679 7.8565 111.5571 57.4294 66.2593 174.1384 72 W 5.3922 8.6053 131.0533 56.6021 33.3244 173.3893 73 N 5.3608 9.0551 124.8745 51.4174 41.8113 173.7238 74 S 5.0054 8.7348 116.7769 56.7548 66.4309 172.4432 75 H 4.8764 9.2162 122.8312 54.4937 31.8920 172.9933 76 V 4.7295 8.0951 125.3166 61.4578 33.5573 174.7454 77 T 4.5987 9.1607 124.2052 61.9034 71.4486 172.4987 78 A 5.1939 8.7401 128.2743 50.0668 21.7003 175.2482 79 E 4.6647 9.3719 121.8983 54.6002 32.1145 174.7423 80 L 5.0491 8.7347 127.4106 53.6717 43.7226 175.5317 81 G 4.3675 9.2710 112.5034 44.3787 0.0000 169.9458 82 P 4.4158 0.0000 0.0000 62.6608 32.1052 176.2113 83 S 4.6930 8.3856 117.2978 56.0001 63.7323 173.1582 84 P 4.4449 0.0000 0.0000 64.5494 31.3462 176.4693 85 E 4.2532 8.1893 118.6800 55.8400 29.2754 176.6653 86 K 3.8233 7.9808 119.5622 56.0493 32.5087 177.3416 87 G 3.6361 8.0425 106.2900 46.0696 0.0000 172.2732 88 F 5.4745 8.4834 119.1002 55.8180 43.0688 174.3853 89 K 4.6013 9.0098 118.3713 55.5504 36.3777 175.0904 90 F 4.7393 8.5352 120.3571 58.4075 39.1182 175.2620 91 H 4.4979 10.0042 122.3603 58.4443 29.6994 175.6793 92 R 5.2324 8.0179 115.6254 54.6872 35.0810 173.9263 93 I 4.8844 9.1130 123.3067 59.4631 40.6770 174.1646 94 K 5.0352 9.2963 129.0230 54.6914 34.7036 174.8711 95 I 4.9141 8.8860 127.8719 59.8928 40.4428 173.7887 96 H 5.2064 9.2159 128.3677 53.6494 31.7915 173.0547 97 V 4.2687 8.0615 126.2987 60.9265 33.8019 174.4182 98 K 4.6592 8.8206 127.9221 55.1072 33.7958 175.2777 99 I 4.7209 8.4573 127.1255 59.3482 39.8137 175.0671 100 G 4.4760 9.0427 115.0296 44.8789 0.0000 172.9251 101 V 5.1716 8.2432 118.0020 58.9565 36.3243 175.2930 102 N 4.3556 8.3488 118.4259 53.7503 39.0674 176.2663 103 D 4.2147 8.9896 122.5858 57.5861 40.7292 179.0200 104 E 4.0873 8.1011 116.0261 58.4999 30.0207 177.6716 105 D 4.6805 8.0302 119.0947 54.7990 41.3927 178.3530 106 K 3.8402 7.6311 119.8411 59.4758 31.7717 178.8557 107 E 4.1054 8.1646 117.1258 58.9947 29.7737 178.0166 108 K 4.3037 8.1234 117.2064 57.7730 32.7367 179.1722 109 I 3.8912 7.7493 120.2115 63.7461 37.0393 175.8739 110 P 4.5621 0.0000 0.0000 65.7265 31.4273 178.2066 111 R 4.0682 8.0445 116.4861 59.3020 29.9791 178.6888 112 A 4.0248 7.7686 117.6734 53.3542 18.3198 178.6193 *114 Q 4.2457 8.1726 121.3176 57.4486 31.0180 177.4264 115 L 3.8675 8.1124 117.6559 57.6386 41.3604 179.1097 116 A 4.2418 8.0461 120.8664 55.5573 18.1230 179.4007 117 E 3.9522 8.1402 115.7402 59.1691 29.8958 178.2964 118 K 3.9709 8.1486 119.0284 59.1200 32.3738 177.4805 119 Y 4.6268 7.8850 113.5591 56.7099 38.7351 175.3997 120 C 4.1665 7.4880 121.8663 58.5869 32.3382 174.2263 121 F 4.5477 8.3923 126.3144 60.9085 38.4276 177.6844 122 I 3.9278 7.7398 118.9857 64.1841 36.8490 178.2211 123 S 4.3827 7.9667 116.0576 61.1541 62.8686 176.5018 124 R 4.0794 8.3238 120.4060 59.3212 29.6102 178.9233 125 A 4.1234 8.0047 119.6503 54.2862 18.6377 178.6403 126 I 4.3225 7.5163 108.9200 59.5191 38.3036 175.5146 127 R 4.0022 7.0909 121.2505 58.5245 30.1532 176.6528 128 N 4.5268 8.9350 119.9910 53.7855 37.0680 174.4719 129 N 4.8208 8.1749 113.8600 53.3750 40.2194 175.1829 130 V 4.5498 7.4377 116.7641 60.7348 34.9406 174.4417 131 E 4.1378 9.0692 129.5123 56.2082 30.4064 174.7818 132 E 5.0548 8.9327 127.6990 54.6073 32.5126 174.4017 133 I 4.5064 8.6461 128.8257 59.7177 39.6989 174.7367 134 V 4.9044 8.4099 127.7132 61.0731 33.1989 174.2424 135 D 5.0406 8.8069 126.6133 52.4952 43.5601 173.1759 136 Y 4.8243 7.4739 115.3597 56.0384 40.8098 173.5438 137 E 4.4757 8.8250 117.2327 54.6342 33.5617 174.2040 138 F 5.1946 8.4598 119.7788 56.8972 40.4319 176.2536 139 V 4.1416 8.4928 115.6833 61.4976 31.4263 175.6439 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 0 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.29 4.26 0.00 3.16 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.15 4.36 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 0.89 0.00 0.00 0.90 0.00 0.00 4 Y 8.65 4.72 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.61 4.85 0.00 1.94 1.85 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 2.22 2.27 0.00 6 S 8.07 4.74 0.00 4.01 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 7 D 9.09 5.00 0.00 2.60 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 8 V 8.38 5.07 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 0.88 0.00 0.00 0.98 0.00 0.00 9 S 9.14 4.98 0.00 3.97 3.97 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 10 W 8.76 4.98 0.00 3.21 3.22 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 11 I 8.29 3.72 1.80 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 1.32 0.66 0.81 0.00 0.00 12 D 7.44 3.37 0.00 2.59 2.30 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 13 D 8.45 4.35 0.00 2.87 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 0.00 0.00 0.00 14 R 8.66 4.95 0.00 1.79 1.97 0.00 3.26 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 15 R 8.91 5.86 0.00 1.95 1.87 0.00 3.37 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.44 0.00 16 T 8.93 5.22 4.45 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 1.36 0.00 0.00 17 E 9.28 5.01 0.00 2.01 1.85 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 2.21 2.23 0.00 18 V 9.02 4.51 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 0.92 0.00 0.00 0.98 0.00 0.00 19 S 9.39 5.24 0.00 3.75 3.75 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 20 V 8.58 4.47 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 1.10 0.00 0.00 0.97 0.00 0.00 21 G 9.02 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 22 D 8.94 4.73 0.00 2.55 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 23 H 8.25 4.86 0.00 3.29 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.37 5.20 0.00 1.64 1.94 0.00 3.33 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 25 I 9.00 4.59 1.89 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 1.13 0.69 0.91 0.00 0.00 26 E 8.83 4.76 0.00 1.99 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 2.37 2.55 0.00 27 V 8.96 4.62 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 1.02 0.00 0.00 0.97 0.00 0.00 28 D 9.22 5.64 0.00 2.88 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 29 S 8.98 4.53 0.00 3.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 3.41 0.00 1.74 1.32 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 31 P 0.00 4.50 0.00 2.06 2.10 0.00 3.40 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 32 E 7.74 3.64 0.00 1.54 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 1.51 1.47 0.00 33 F 7.89 4.77 0.00 2.94 2.89 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 34 G 8.44 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 35 G 8.22 4.53 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 0.00 36 P 0.00 4.63 0.00 2.28 2.12 0.00 4.12 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 2.22 2.07 0.00 37 E 8.55 4.31 0.00 2.03 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 2.34 2.27 0.00 38 G 8.97 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 39 Q 7.42 4.63 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 40 L 7.97 4.00 0.00 1.70 1.50 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.01 5.65 0.00 2.94 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 42 P 0.00 4.39 0.00 2.27 2.22 0.00 3.78 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 43 E 8.60 4.44 0.00 2.12 2.25 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 2.39 2.49 0.00 44 T 8.04 4.48 4.30 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 1.39 0.00 0.00 45 L 8.28 4.04 0.00 1.93 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.60 4.09 0.00 3.23 3.22 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 47 P 0.00 3.93 0.00 2.12 1.92 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.85 0.00 48 S 7.92 4.06 0.00 4.05 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 49 V 7.94 3.52 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 1.01 0.00 0.00 0.94 0.00 0.00 50 L 7.56 3.66 0.00 1.22 1.54 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.84 3.99 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 52 S 8.37 3.97 0.00 3.90 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 53 C 8.18 4.04 0.00 2.96 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 54 L 8.11 3.92 0.00 1.81 1.88 1.02 0.93 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 55 L 7.78 3.18 0.00 1.39 1.67 -0.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.92 3.68 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 1.15 0.00 0.00 57 T 8.04 3.77 4.40 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 1.46 0.00 0.00 58 F 8.39 4.20 0.00 3.18 2.86 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 0.00 0.00 0.00 59 L 8.10 3.90 0.00 1.72 1.59 0.77 0.98 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 60 E 7.58 3.66 0.00 1.77 1.64 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 1.78 1.67 0.00 61 F 7.06 3.97 0.00 2.91 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 62 K 7.98 3.78 0.00 1.12 1.67 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.73 7.81 63 D 7.69 4.35 0.00 2.71 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 64 R 7.64 4.11 0.00 1.85 1.92 0.00 2.79 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 *66 G 7.98 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 0.00 0.00 0.00 67 I 7.74 4.19 1.86 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 1.34 0.60 1.04 0.00 0.00 68 N 9.30 4.73 0.00 2.74 2.79 0.00 0.00 6.30 6.29 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 69 L 8.26 4.48 0.00 1.80 1.68 1.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.40 4.57 0.00 1.73 1.88 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.41 7.81 71 S 7.86 4.77 0.00 3.92 3.96 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 72 W 8.61 5.39 0.00 3.35 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 73 N 9.06 5.36 0.00 2.61 2.64 0.00 0.00 6.06 7.06 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 74 S 8.73 5.01 0.00 3.76 3.66 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 75 H 9.22 4.88 0.00 3.24 3.21 0.00 5.74 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 76 V 8.10 4.73 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 0.91 0.00 0.00 0.89 0.00 0.00 77 T 9.16 4.60 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 1.25 0.00 0.00 78 A 8.74 5.19 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 79 E 9.37 4.66 0.00 2.02 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 2.27 2.28 0.00 80 L 8.73 5.05 0.00 1.59 1.56 0.25 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 G 9.27 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 0.00 0.00 0.00 0.00 82 P 0.00 4.42 0.00 1.98 1.80 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 83 S 8.39 4.69 0.00 3.77 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 84 P 0.00 4.44 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 85 E 8.19 4.25 0.00 1.93 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 2.27 2.24 0.00 86 K 7.98 3.82 0.00 1.90 1.79 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.32 7.81 87 G 8.04 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 88 F 8.48 5.47 0.00 2.80 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 89 K 9.01 4.60 0.00 1.77 1.84 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.30 1.36 7.81 90 F 8.54 4.74 0.00 3.08 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 91 H 10.00 4.50 0.00 3.25 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.02 5.23 0.00 1.79 1.80 0.00 3.26 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 93 I 9.11 4.88 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.97 0.83 0.00 0.00 94 K 9.30 5.04 0.00 1.78 1.75 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 95 I 8.89 4.91 1.87 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 1.09 0.56 0.92 0.00 0.00 96 H 9.22 5.21 0.00 3.18 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.06 4.27 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 -0.92 0.00 0.00 0.48 0.00 0.00 98 K 8.82 4.66 0.00 1.57 1.65 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.29 7.81 99 I 8.46 4.72 1.82 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.40 1.03 0.00 0.00 100 G 9.04 4.48 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 0.00 101 V 8.24 5.17 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 0.94 0.00 0.00 0.90 0.00 0.00 102 N 8.35 4.36 0.00 2.86 3.04 0.00 0.00 7.37 7.96 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 0.00 103 D 8.99 4.21 0.00 2.71 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 0.00 104 E 8.10 4.09 0.00 2.10 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 0.00 2.26 2.33 0.00 105 D 8.03 4.68 0.00 2.84 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 0.00 106 K 7.63 3.84 0.00 1.58 1.50 0.00 1.31 0.00 0.00 0.66 0.00 0.00 2.17 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.49 1.39 7.81 107 E 8.16 4.11 0.00 1.97 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 2.34 2.35 0.00 108 K 8.12 4.30 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 109 I 7.75 3.89 2.26 0.00 0.00 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 1.96 1.09 0.55 0.00 0.00 110 P 0.00 4.56 0.00 2.11 2.24 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 111 R 8.04 4.07 0.00 1.93 2.08 0.00 3.32 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 112 A 7.77 4.02 1.43 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 0.00 0.00 *114 Q 8.17 4.25 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 115 L 8.11 3.87 0.00 1.15 0.13 0.54 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.05 4.24 1.64 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 0.00 117 E 8.14 3.95 0.00 2.03 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 2.31 2.39 0.00 118 K 8.15 3.97 0.00 1.68 1.95 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.45 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.09 7.81 119 Y 7.89 4.63 0.00 3.37 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 0.00 120 C 7.49 4.17 0.00 3.06 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 0.00 121 F 8.39 4.55 0.00 3.06 2.99 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 0.00 122 I 7.74 3.93 1.80 0.00 0.00 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 1.70 1.45 0.76 0.00 0.00 123 S 7.97 4.38 0.00 4.07 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 0.00 124 R 8.32 4.08 0.00 2.20 2.04 0.00 3.32 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 125 A 8.00 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 0.00 126 I 7.52 4.32 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.89 1.26 0.00 0.00 127 R 7.09 4.00 0.00 2.00 1.92 0.00 3.34 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 128 N 8.94 4.53 0.00 2.95 3.00 0.00 0.00 6.94 8.00 0.00 0.00 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 N 8.17 4.82 0.00 2.86 2.88 0.00 0.00 6.62 7.24 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 0.00 130 V 7.44 4.55 2.17 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 0.88 0.00 0.00 1.09 0.00 0.00 131 E 9.07 4.14 0.00 2.15 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 2.33 2.28 0.00 132 E 8.93 5.05 0.00 2.07 1.78 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 2.37 2.29 0.00 133 I 8.65 4.51 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 1.12 0.66 0.91 0.00 0.00 134 V 8.41 4.90 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 0.86 0.00 0.00 0.96 0.00 0.00 135 D 8.81 5.04 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.47 4.82 0.00 2.57 2.53 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 0.00 137 E 8.82 4.48 0.00 1.90 1.91 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 2.05 2.20 0.00 138 F 8.46 5.19 0.00 3.05 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 0.00 139 V 8.49 4.14 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 0.64 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.