NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8263 8.1476 120.6187 55.5372 34.0422 173.7126 2 V 4.7863 9.0238 126.1427 59.0555 34.5553 172.7023 3 L 4.5948 9.2741 127.2717 53.4800 44.3773 176.0427 4 I 4.8725 8.5721 127.9331 59.6380 39.4456 174.5262 5 L 5.0414 8.9111 127.7275 52.8162 44.8221 175.4727 6 N 5.2732 8.8564 120.0201 51.7382 42.4074 175.0288 7 G 4.4880 8.4765 112.2746 42.8804 0.0000 171.4431 8 P 4.4301 0.0000 0.0000 64.3041 31.9411 177.5687 9 N 4.5754 9.1572 117.4253 53.8230 38.1927 176.6615 10 L 4.0699 7.5591 118.0301 56.9996 41.8622 178.9204 11 N 4.4452 8.1858 115.1822 55.1902 37.1598 175.5113 12 L 4.4335 7.8640 118.1197 54.1345 42.2683 176.1629 13 L 3.9206 7.4326 119.9076 55.7595 41.7558 175.6611 14 G 3.7230 8.4535 115.3488 45.9067 0.0000 175.1432 15 R 4.1600 7.6796 120.3171 56.3327 31.3508 177.4760 16 R 4.0930 7.4419 115.3747 55.7543 28.2312 176.5155 17 E 4.2395 8.7490 123.4330 55.8060 29.9418 171.7136 18 P 4.7399 0.0000 0.0000 63.9642 32.8300 176.4507 19 E 4.2337 7.9642 117.0964 56.5475 29.7937 176.6334 20 V 3.5202 7.3401 118.3236 64.7793 32.0390 175.9623 21 Y 4.3419 7.6904 118.2317 57.3942 39.0127 177.1782 22 G 4.2650 8.0932 107.6555 45.0057 0.0000 172.5582 23 R 4.4779 8.2027 112.5214 56.2438 30.7960 176.3267 24 T 4.3560 7.7784 109.6487 61.6610 69.7144 174.8001 25 T 4.8170 8.2958 116.4397 59.7602 71.6370 175.9056 26 L 3.8868 8.3111 122.8539 58.4711 42.1579 178.5612 27 E 3.7584 8.1844 117.9739 59.9348 29.3847 179.4901 28 E 3.8320 8.1059 118.0171 59.0438 29.3960 179.1355 29 L 3.7151 8.1247 121.1832 58.0656 42.0534 178.9822 30 E 2.9818 7.5780 117.2829 58.6398 29.1962 178.8897 31 A 3.7405 7.4956 121.6525 54.9518 18.3875 179.3630 32 L 3.1614 7.4643 117.3222 58.0112 41.5013 179.7559 33 C 4.4132 7.8731 116.4718 62.6381 28.1703 175.3381 34 E 3.8762 8.3567 121.2479 59.6743 29.1013 179.1010 35 A 3.9690 8.0376 120.4680 54.9644 18.1742 179.6469 36 W 4.5672 8.4152 118.0624 59.7314 29.0910 178.7424 37 G 3.6434 8.5479 105.7125 48.0954 0.0000 175.6077 38 A 4.0586 8.0205 123.7058 54.4124 18.2553 179.4025 39 E 3.9315 8.1298 114.5908 58.8946 29.5419 177.6052 40 L 4.3246 7.4309 118.7062 54.5553 42.4229 176.4985 41 G 3.9010 8.3812 105.3874 46.4280 0.0000 173.0107 42 L 4.7590 7.7829 118.8880 52.2734 44.4764 176.9971 43 G 3.9371 8.7863 111.4790 46.2602 0.0000 172.6138 44 V 5.4201 8.3879 115.5943 59.2957 35.5901 175.3094 45 V 4.6531 9.0491 123.1059 59.8484 35.0204 174.1151 46 F 5.1349 8.8030 124.0619 56.6163 41.7444 174.1665 47 R 4.6159 8.4139 124.4533 54.2381 33.8827 174.2008 48 Q 5.2088 8.7327 122.6265 54.8339 31.9839 174.0988 49 T 4.9242 9.0235 118.8837 61.0521 70.7846 173.2502 50 N 4.6968 9.0979 121.3009 53.5695 39.5879 175.1117 51 Y 4.5128 7.8590 117.8099 55.6145 40.6805 175.7431 52 E 3.9244 8.9095 125.7046 59.5925 29.8905 179.1092 53 G 3.9540 8.0528 105.3895 48.1466 0.0000 175.2295 54 Q 3.5198 7.8958 121.9920 58.1768 29.0533 177.9173 55 L 3.9979 7.7403 120.1268 57.7287 41.7013 179.2125 56 I 3.6871 7.8919 120.0416 64.7024 36.9881 178.2372 57 E 3.9776 8.3146 119.3741 59.3054 29.0106 179.5668 58 W 4.5462 8.1973 119.0924 59.9849 28.9122 179.0658 59 V 3.7372 7.9132 111.5653 64.4606 31.0818 178.3750 60 Q 4.1861 8.1464 117.0186 58.4352 28.7398 177.9396 61 Q 4.5801 8.0126 117.6277 56.3322 29.3984 177.4331 62 A 4.1782 7.7308 122.9143 55.5509 18.3271 179.2727 63 H 4.4119 8.4003 112.1592 58.9133 28.8284 177.6220 64 Q 3.9535 7.6855 117.8189 58.4943 28.5830 177.3568 65 E 4.0839 7.8918 115.3910 56.6569 29.7470 177.2204 66 G 3.9180 7.7789 105.5348 45.0622 0.0000 174.5759 67 F 4.4155 7.5948 118.7633 57.8420 39.2960 174.8232 68 L 4.7157 8.3851 124.3013 55.1777 43.1297 175.5712 69 A 4.7194 7.5307 117.5409 52.1041 22.8278 175.0488 70 I 5.0115 8.2876 119.6580 59.6138 41.1754 174.7901 71 V 4.5876 8.5320 127.5284 61.4184 33.3841 174.2433 72 L 5.0386 9.0545 129.8977 53.3099 45.1867 174.4218 73 N 5.2780 8.8860 125.5090 50.3122 39.9338 172.9288 74 P 4.3957 0.0000 0.0000 62.4610 32.6381 178.3153 75 G 4.1656 8.6063 107.7120 45.9839 0.0000 174.7447 76 A 4.4021 8.5272 120.4399 53.9485 18.4871 179.2700 77 L 3.3643 7.8149 117.6472 56.8332 41.5598 179.0990 78 T 3.7416 7.8249 110.3110 64.5362 68.3976 175.2724 79 H 4.8785 8.0482 117.9852 55.8396 29.2076 175.0605 80 Y 4.6060 7.2153 114.7491 56.0801 41.9597 175.8408 81 S 4.2499 7.5956 116.3006 57.3535 61.3378 173.5546 82 Y 4.2146 8.1671 125.8064 60.0426 37.9353 177.3768 83 A 4.0640 8.0623 121.9423 54.9436 18.5233 179.1874 84 L 3.8841 7.9699 119.0342 57.9446 42.2002 178.8555 85 L 3.9447 7.6873 120.4075 58.5157 42.0552 178.8446 86 D 4.4086 8.2788 118.4016 57.1429 40.4381 178.7714 87 A 4.0039 7.7007 120.9423 55.0812 18.5291 179.3579 88 I 3.8132 7.8746 111.7132 64.3480 37.3413 178.7385 89 R 3.9412 7.8340 118.5763 58.5900 29.9996 178.0124 90 A 4.3465 8.0748 118.1616 51.8375 18.8640 176.7504 91 Q 4.6485 7.0970 115.0748 53.5258 31.5153 173.9020 92 P 4.5336 0.0000 0.0000 63.7035 32.2711 176.2679 93 L 4.4471 8.0193 119.6994 53.6381 42.5531 175.2598 94 P 4.4667 0.0000 0.0000 63.0502 32.8900 175.0584 95 V 4.8709 8.4139 121.8906 61.1358 34.7439 173.8299 96 V 4.5772 8.8473 128.2756 61.0749 33.6150 174.0297 97 E 4.7105 8.7704 129.5730 55.7228 30.5322 175.2608 98 V 4.8061 8.3999 125.6775 61.5006 35.4494 173.8130 99 H 4.9417 9.0887 122.7417 54.2662 33.0239 174.5254 100 L 4.4735 9.0687 122.1704 57.6068 42.6703 177.4888 101 T 4.5284 7.8645 106.7053 59.6678 71.0777 173.5976 102 N 4.4720 8.1381 120.4616 52.3052 38.3259 175.5827 103 L 3.9538 7.6387 127.5821 57.4529 41.7733 178.2877 104 H 4.4029 8.3502 114.0503 56.5450 28.9211 175.5575 105 A 4.7773 7.7298 122.1658 51.6821 19.7674 176.8141 106 R 4.3879 7.3333 119.4600 56.6418 32.4085 175.1389 107 E 4.0604 8.2229 120.7518 56.9277 30.5686 177.3161 108 E 3.9050 8.8118 122.1514 59.3036 29.5560 179.2563 109 F 4.2792 8.2383 113.3610 59.7578 37.9664 177.1017 110 R 3.3831 6.5851 118.4351 57.8433 29.7932 177.6640 111 R 3.9829 7.5617 115.8881 57.3014 30.2340 175.8588 112 H 4.7779 7.9783 114.4781 53.6743 29.8130 173.7113 113 S 4.9158 8.4679 119.2615 56.4050 62.7013 174.0791 114 V 3.7655 8.3270 122.9534 63.6156 31.8907 177.8532 115 T 4.1238 7.7786 109.5148 63.3835 69.8099 176.6423 116 A 3.9810 8.1865 125.5479 54.7343 18.3908 177.6679 117 P 4.2549 0.0000 0.0000 64.7385 31.4133 176.7194 118 A 4.6161 7.6700 118.2810 51.8499 19.9338 176.2822 119 C 4.5908 7.6969 113.7539 58.6067 29.3695 174.0555 120 R 3.9860 8.4772 121.7270 59.7752 30.4171 176.7237 121 G 3.9950 7.1630 102.9125 45.9183 0.0000 171.7268 122 I 5.3977 8.3346 119.1586 59.1059 41.3970 175.7389 123 V 4.7464 8.8510 128.2104 59.9224 34.0565 174.6448 124 S 4.9886 9.1421 119.4796 57.6429 65.3654 173.9935 125 G 3.6792 8.5969 111.0245 45.5869 0.0000 174.1241 126 F 4.8520 8.3221 118.5090 56.5034 40.1227 176.8800 127 G 3.9274 8.2766 110.8536 45.8605 0.0000 174.6721 128 P 4.5480 0.0000 0.0000 65.9193 31.7112 178.2570 129 L 3.8978 8.1037 117.5617 57.1001 41.4155 179.3157 130 S 4.3121 8.4548 115.8490 61.9473 62.6595 176.2385 131 Y 4.0296 8.4935 119.4030 60.5458 37.6683 177.8242 132 K 3.4464 7.7303 120.0820 59.4715 32.1358 178.6426 133 L 3.8511 8.0334 119.2501 57.5269 41.4040 179.4884 134 A 4.0119 7.7479 120.2804 55.2465 18.3820 179.6718 135 L 4.0398 8.2029 117.9366 57.8967 41.5223 180.1534 136 V 3.6243 8.1249 119.6310 64.8463 31.2011 177.7991 137 Y 3.9994 8.0652 120.1582 60.5943 38.4526 178.1978 138 L 3.8075 7.7132 118.3704 57.3586 41.8155 178.9588 139 A 4.0940 7.8001 120.3139 54.8439 18.3363 178.9785 140 E 3.8880 7.5768 117.4001 58.5677 30.1208 177.5263 141 T 4.0027 6.5787 116.2534 63.1342 69.6451 175.4098 *142 L 4.1415 8.3089 123.1852 54.6409 41.6354 176.8111 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 M 8.15 4.83 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 2 V 9.02 4.79 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 0.85 0.00 0.00 0.99 0.00 0.00 3 L 9.27 4.59 0.00 1.03 1.18 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.57 4.87 1.83 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 1.00 0.00 0.00 5 L 8.91 5.04 0.00 1.47 1.57 0.96 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.86 5.27 0.00 2.71 2.67 0.00 0.00 6.59 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 7 G 8.48 4.49 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 0.00 8 P 0.00 4.43 0.00 2.20 1.97 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 9 N 9.16 4.58 0.00 2.94 2.96 0.00 0.00 7.01 6.75 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 10 L 7.56 4.07 0.00 1.84 1.77 1.06 0.97 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 11 N 8.19 4.45 0.00 2.86 3.19 0.00 0.00 6.02 7.79 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 12 L 7.86 4.43 0.00 1.80 1.69 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.43 3.92 0.00 1.94 1.78 0.73 0.79 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 14 G 8.45 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 15 R 7.68 4.16 0.00 1.82 2.01 0.00 3.21 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 16 R 7.44 4.09 0.00 2.06 2.11 0.00 2.65 0.00 0.00 2.73 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 17 E 8.75 4.24 0.00 2.27 2.33 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 2.17 2.49 0.00 18 P 0.00 4.74 0.00 2.24 2.26 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 19 E 7.96 4.23 0.00 1.93 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 2.23 2.21 0.00 20 V 7.34 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 0.22 0.00 0.00 0.87 0.00 0.00 21 Y 7.69 4.34 0.00 3.31 3.03 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 22 G 8.09 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 0.00 0.00 0.00 0.00 23 R 8.20 4.48 0.00 2.00 2.19 0.00 2.99 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 24 T 7.78 4.36 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 1.24 0.00 0.00 25 T 8.30 4.82 4.21 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 1.19 0.00 0.00 26 L 8.31 3.89 0.00 1.99 1.73 1.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.18 3.76 0.00 1.97 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 2.33 2.40 0.00 28 E 8.11 3.83 0.00 2.03 1.88 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 2.24 2.23 0.00 29 L 8.12 3.72 0.00 1.78 1.49 0.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.58 2.98 0.00 1.45 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 1.87 2.02 0.00 31 A 7.50 3.74 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 32 L 7.46 3.16 0.00 1.30 0.17 0.57 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.87 4.41 0.00 3.14 3.20 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 34 E 8.36 3.88 0.00 1.94 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 0.00 2.25 2.31 0.00 35 A 8.04 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.42 4.57 0.00 3.64 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 37 G 8.55 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 A 8.02 4.06 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 39 E 8.13 3.93 0.00 2.16 2.18 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 2.73 2.36 0.00 40 L 7.43 4.32 0.00 1.70 2.07 0.93 1.11 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 41 G 8.38 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 42 L 7.78 4.76 0.00 1.71 1.62 0.94 0.90 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 43 G 8.79 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 44 V 8.39 5.42 2.21 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 0.89 0.00 0.00 1.07 0.00 0.00 45 V 9.05 4.65 2.18 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 1.23 0.00 0.00 0.90 0.00 0.00 46 F 8.80 5.13 0.00 2.95 2.81 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 47 R 8.41 4.62 0.00 0.88 0.66 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 0.00 48 Q 8.73 5.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 49 T 9.02 4.92 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 1.29 0.00 0.00 50 N 9.10 4.70 0.00 2.65 2.64 0.00 0.00 6.82 7.46 0.00 0.00 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 Y 7.86 4.51 0.00 2.84 2.81 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 52 E 8.91 3.92 0.00 1.97 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 2.33 2.29 0.00 53 G 8.05 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 54 Q 7.90 3.52 0.00 1.75 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 55 L 7.74 4.00 0.00 1.85 1.68 0.90 0.90 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 56 I 7.89 3.69 1.99 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 0.83 0.90 0.00 0.00 57 E 8.31 3.98 0.00 1.78 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 2.25 0.00 58 W 8.20 4.55 0.00 3.61 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 59 V 7.91 3.74 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 0.85 0.00 0.00 0.96 0.00 0.00 60 Q 8.15 4.19 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 61 Q 8.01 4.58 0.00 2.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 62 A 7.73 4.18 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 63 H 8.40 4.41 0.00 3.44 3.64 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.69 3.95 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.06 0.00 65 E 7.89 4.08 0.00 2.37 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 2.35 0.00 66 G 7.78 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 67 F 7.59 4.42 0.00 3.20 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 68 L 8.39 4.72 0.00 1.67 1.71 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.53 4.72 1.26 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 70 I 8.29 5.01 1.86 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 1.03 0.65 0.92 0.00 0.00 71 V 8.53 4.59 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 0.97 0.00 0.00 72 L 9.05 5.04 0.00 1.66 1.39 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.89 5.28 0.00 2.63 2.70 0.00 0.00 7.08 8.25 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 74 P 0.00 4.40 0.00 2.23 1.99 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 75 G 8.61 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 0.00 0.00 0.00 76 A 8.53 4.40 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.36 0.00 1.68 1.40 0.82 0.23 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 78 T 7.82 3.74 4.18 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 1.31 0.00 0.00 79 H 8.05 4.88 0.00 3.51 3.67 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.22 4.61 0.00 2.91 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 81 S 7.60 4.25 0.00 3.47 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 82 Y 8.17 4.21 0.00 3.15 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 83 A 8.06 4.06 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 84 L 7.97 3.88 0.00 1.80 1.61 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.69 3.94 0.00 1.75 1.96 1.07 1.37 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 86 D 8.28 4.41 0.00 2.89 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 87 A 7.70 4.00 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 88 I 7.87 3.81 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 1.52 0.68 1.01 0.00 0.00 89 R 7.83 3.94 0.00 2.03 2.04 0.00 3.33 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 90 A 8.07 4.35 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 91 Q 7.10 4.65 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 92 P 0.00 4.53 0.00 2.17 2.15 0.00 3.66 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 93 L 8.02 4.45 0.00 1.72 1.69 1.13 1.03 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 94 P 0.00 4.47 0.00 2.21 2.25 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 95 V 8.41 4.87 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 0.95 0.00 0.00 0.97 0.00 0.00 96 V 8.85 4.58 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 0.73 0.00 0.00 0.98 0.00 0.00 97 E 8.77 4.71 0.00 2.05 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 2.19 2.12 0.00 98 V 8.40 4.81 1.74 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 -0.07 0.00 0.00 0.76 0.00 0.00 99 H 9.09 4.94 0.00 3.05 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.07 4.47 0.00 1.88 1.93 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.86 4.53 4.08 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 0.00 0.00 0.98 0.00 0.00 102 N 8.14 4.47 0.00 2.57 2.64 0.00 0.00 6.88 6.66 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 0.00 103 L 7.64 3.95 0.00 1.55 1.69 0.65 0.93 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 0.00 104 H 8.35 4.40 0.00 3.18 3.32 0.00 5.81 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 0.00 105 A 7.73 4.78 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 0.00 106 R 7.33 4.39 0.00 1.53 1.54 0.00 3.03 0.00 0.00 3.07 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 107 E 8.22 4.06 0.00 1.25 1.76 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 2.53 2.33 0.00 108 E 8.81 3.91 0.00 1.99 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 2.38 2.30 0.00 109 F 8.24 4.28 0.00 3.17 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 R 6.59 3.38 0.00 1.51 1.74 0.00 2.89 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 111 R 7.56 3.98 0.00 1.91 2.01 0.00 3.10 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 112 H 7.98 4.78 0.00 3.37 3.41 0.00 5.23 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.47 4.92 0.00 3.82 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 0.00 114 V 8.33 3.77 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 0.22 0.00 0.00 0.60 0.00 0.00 115 T 7.78 4.12 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 1.13 0.00 0.00 116 A 8.19 3.98 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 0.00 117 P 0.00 4.25 0.00 2.07 2.16 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 118 A 7.67 4.62 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 0.00 119 C 7.70 4.59 0.00 3.10 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 0.00 120 R 8.48 3.99 0.00 1.62 1.83 0.00 3.47 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 121 G 7.16 3.99 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 0.00 0.00 0.00 122 I 8.33 5.40 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.91 0.00 0.00 123 V 8.85 4.75 2.21 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 0.86 0.00 0.00 1.15 0.00 0.00 124 S 9.14 4.99 0.00 3.87 3.86 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 0.00 125 G 8.60 3.68 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 0.00 0.00 0.00 126 F 8.32 4.85 0.00 3.27 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 0.00 127 G 8.28 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 0.00 128 P 0.00 4.55 0.00 2.56 2.32 0.00 3.77 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 2.25 2.23 0.00 129 L 8.10 3.90 0.00 1.93 1.60 0.98 1.08 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 0.00 130 S 8.45 4.31 0.00 4.14 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 0.00 131 Y 8.49 4.03 0.00 3.51 3.27 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 0.00 132 K 7.73 3.45 0.00 0.79 1.16 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.40 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.58 0.21 7.81 133 L 8.03 3.85 0.00 1.56 1.56 0.26 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.75 4.01 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 0.00 135 L 8.20 4.04 0.00 1.88 1.81 1.19 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.12 3.62 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 0.79 0.00 0.00 0.89 0.00 0.00 137 Y 8.07 4.00 0.00 3.15 3.23 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 0.00 138 L 7.71 3.81 0.00 1.97 1.71 1.07 0.97 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 0.00 139 A 7.80 4.09 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 0.00 140 E 7.58 3.89 0.00 1.82 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 2.24 2.31 0.00 141 T 6.58 4.00 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 1.14 0.00 0.00 *142 L 8.31 4.14 0.00 1.41 1.48 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.