NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5404 8.0600 117.2347 56.2098 31.7846 173.6708 3 V 4.5510 8.3001 119.9642 60.9694 33.4643 173.4268 4 D 4.7280 9.3434 130.5609 53.3937 42.6372 174.9100 5 Q 5.1923 8.6142 125.7320 54.4071 31.5459 174.2901 6 T 5.0799 8.9388 116.0429 59.3406 72.7076 172.0230 7 P 4.8825 0.0000 0.0000 62.4740 32.7358 176.0801 8 Q 4.5839 8.5226 116.9959 58.1157 29.8868 176.3672 9 T 5.2537 7.7966 107.1332 59.9352 71.9241 173.7030 10 I 4.7161 9.1898 124.0645 59.9343 41.5648 174.3177 11 T 6.0086 8.4996 121.9325 60.9536 71.2387 173.3772 12 K 4.7628 8.4693 124.3262 54.3961 37.2426 175.4542 13 E 4.7194 9.8917 122.0203 55.8356 30.9969 176.8490 14 T 4.1441 7.7301 118.0700 65.7311 69.0162 174.2960 15 G 3.9813 9.0563 113.9660 45.3656 0.0000 173.5403 16 E 4.4416 7.8324 118.7930 55.7227 31.8642 175.4232 17 S 5.3043 8.4066 114.9558 57.0323 67.2672 173.2720 18 L 4.7958 8.3426 119.8460 54.7878 44.2136 175.2499 19 T 4.9933 8.2328 115.1554 62.0206 72.6174 173.3282 20 I 4.6788 8.5766 126.2012 59.5274 40.5223 174.1835 21 N 5.3700 9.2167 123.8065 51.6629 41.6230 173.0057 22 C 5.3706 9.1768 119.9699 55.0781 43.4250 173.2796 23 V 4.9057 8.3487 121.4606 61.1720 34.7673 173.6538 24 L 4.9198 8.8779 130.5814 54.4080 42.7522 175.6519 25 R 4.6864 8.8188 124.6477 53.7279 34.5708 174.2836 26 D 4.4048 8.6707 116.5711 54.9079 38.4675 174.2379 27 S 4.5987 7.6300 109.9054 57.2910 65.6203 172.6782 28 N 4.7671 8.7628 123.3697 53.5408 38.5349 174.6517 29 C 4.5166 7.8641 116.3904 58.3139 29.6036 173.5095 30 A 4.2303 8.1541 125.4968 51.3699 19.1028 177.8751 31 L 4.1408 8.1774 122.6808 54.6513 40.9942 175.7942 32 S 4.5521 8.3132 120.3772 59.4504 63.8786 173.8126 33 S 4.7106 8.1975 113.8674 56.9375 67.5591 173.3813 34 T 4.6232 7.6512 110.5183 60.1136 71.6012 172.7209 35 Y 4.7234 8.5535 119.9929 56.1368 42.8062 174.2320 36 W 5.3268 8.4093 120.7634 55.3266 33.4555 173.9184 37 Y 5.5218 9.2685 119.4935 56.7614 42.5853 174.1159 38 R 4.7004 9.2722 121.7341 54.5120 34.2818 173.4675 39 K 4.9588 8.6284 127.2872 53.5211 34.4356 175.4826 40 K 4.6663 8.6172 127.4173 55.8323 33.4313 176.7495 41 S 4.1833 7.9327 117.1013 60.3000 62.9847 175.5925 42 G 3.9347 8.8700 110.6152 45.6380 0.0000 173.0581 43 S 4.7832 8.1749 114.4832 56.7506 64.4226 174.1022 44 T 4.4282 8.1040 115.7464 59.5835 67.8447 171.7893 45 N 4.7607 8.4349 123.3289 52.4580 42.4367 172.6787 46 E 4.3265 8.8166 128.3940 55.9929 30.4191 175.4206 47 E 4.8276 9.3834 127.0008 54.7270 32.3688 175.6180 48 S 4.9853 8.7154 118.9852 58.5397 64.1269 173.5491 49 I 4.1333 8.0543 124.9007 59.9131 38.1736 175.7761 50 S 4.3666 8.3930 123.8478 57.3853 63.4313 174.3907 51 K 3.9862 8.5508 125.5217 56.9538 32.6395 175.7547 52 G 4.2687 10.1504 108.9764 44.3842 0.0000 177.8506 53 G 3.9162 8.3119 112.0880 46.7907 0.0000 177.6632 54 R 3.7984 8.8148 127.4366 57.7878 30.3691 174.7542 55 Y 4.7317 7.9683 116.4301 56.4560 39.3155 175.1803 56 V 4.5541 8.6875 126.2795 61.0220 33.7112 173.9049 57 E 4.9807 8.7408 129.1249 55.2515 31.3346 175.0884 58 T 4.7673 8.8416 121.9224 61.7284 72.0886 173.0479 59 V 4.8741 8.5558 125.0519 61.0454 34.8517 174.1702 60 N 4.8498 9.3971 126.2163 51.9510 40.6876 175.0990 61 S 4.1841 8.8635 124.1546 61.3963 63.3780 177.2772 62 G 3.6431 8.2373 108.5076 47.7919 0.0000 174.2636 63 S 4.4782 8.3851 112.1116 57.2212 63.7575 173.9079 64 K 3.9122 7.8018 120.1185 58.0718 30.2908 174.4321 65 S 5.5147 8.2327 111.7679 56.6551 66.4359 173.4099 66 F 5.6346 9.2608 116.8875 55.7590 41.5825 173.1910 67 S 5.2015 9.5995 114.9003 56.6864 66.6637 172.1526 68 L 4.6422 8.7425 126.6017 53.0578 44.4052 174.8387 69 R 4.7586 8.7417 127.6001 54.8679 32.3416 174.7066 70 I 4.6033 8.4166 127.2465 59.6564 39.4489 174.5353 71 N 4.8870 8.4959 124.7688 51.1403 40.2605 174.7206 72 D 4.2783 8.2864 118.5993 55.3030 38.0577 174.7971 73 L 4.2381 7.9699 120.1460 55.1263 42.7616 177.5686 74 T 4.8944 8.7011 112.9798 59.3392 71.5817 175.4992 75 V 3.6172 8.4630 115.4065 64.8785 31.5916 178.6999 76 E 4.0384 8.1607 117.1593 58.9899 29.3417 177.4769 77 D 4.7621 8.1002 117.3062 55.3042 41.5458 176.9806 78 S 4.4901 8.5540 117.5353 57.6254 63.5988 174.2819 79 G 4.1292 7.6800 111.8426 45.6670 0.0000 170.7298 80 T 5.1891 8.3186 116.6398 62.0716 70.6080 173.7469 81 Y 5.3048 9.6073 124.4694 56.4754 40.8731 175.1340 82 R 5.4347 9.4196 121.4559 54.6895 34.9051 171.9068 83 C 4.8099 8.8492 115.7499 53.6010 45.7132 172.4243 84 K 4.8593 8.8431 121.6672 54.3640 35.0963 173.5303 85 P 4.9611 0.0000 0.0000 61.7910 33.4831 174.5258 86 E 4.8769 9.1019 119.6666 54.9781 34.2152 174.7538 87 S 4.9428 8.8232 116.1240 58.2549 65.6616 173.1376 88 R 4.0566 8.7951 120.3339 56.8362 29.5013 177.0178 *93 D 4.4036 9.1241 122.9758 54.6929 42.9361 175.0386 94 A 4.3604 8.1284 117.7398 52.4627 18.7015 179.5695 95 E 4.1033 8.2014 118.3104 59.3692 29.8952 177.5895 96 C 4.5355 8.1092 114.3744 60.1171 28.3655 175.3342 97 A 4.1162 7.9184 123.9017 54.6511 17.8229 179.3127 98 A 4.0524 7.5664 119.5720 54.6036 18.7479 178.1279 99 L 4.2644 7.5155 115.8079 56.6959 42.6737 177.3962 100 N 4.8527 8.0415 114.5613 53.3571 38.1028 174.9180 101 D 4.8585 7.8551 114.5133 52.5652 40.8413 174.4476 102 Q 4.6781 7.8634 121.8070 54.7699 30.5625 174.0077 103 Y 4.8541 8.4248 121.7769 55.6165 41.6264 175.5925 104 G 4.2181 8.5073 111.1014 44.9985 0.0000 174.5313 105 G 3.6380 8.4798 108.7899 46.0292 0.0000 173.9922 106 G 4.2878 8.2655 106.9742 44.5040 0.0000 173.3178 107 T 4.8549 9.1681 117.4256 61.5933 72.8576 173.1951 108 V 4.5165 9.0560 127.6069 62.0221 32.9203 174.6241 109 V 4.7699 9.2104 129.4892 61.7136 33.4560 174.4318 110 T 4.7801 9.7155 125.8567 61.8212 71.1324 173.2592 111 V 4.7544 8.9810 127.9532 61.4798 32.4120 174.6982 112 N 4.9029 8.7718 126.0633 51.2857 40.6472 175.7223 113 A 4.1449 8.6930 124.1292 52.8602 18.3533 177.4228 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 2 R 8.06 4.54 0.00 1.92 2.15 0.00 3.05 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 3 V 8.30 4.55 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 0.82 0.00 0.00 1.00 0.00 0.00 4 D 9.34 4.73 0.00 2.61 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 5 Q 8.61 5.19 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 6 T 8.94 5.08 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 1.22 0.00 0.00 7 P 0.00 4.88 0.00 2.34 2.11 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 8 Q 8.52 4.58 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 9 T 7.80 5.25 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 1.23 0.00 0.00 10 I 9.19 4.72 1.84 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 1.20 0.94 0.87 0.00 0.00 11 T 8.50 6.01 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 1.27 0.00 0.00 12 K 8.47 4.76 0.00 1.59 1.61 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.33 7.81 13 E 9.89 4.72 0.00 2.03 1.84 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 2.31 2.43 0.00 14 T 7.73 4.14 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 1.22 0.00 0.00 15 G 9.06 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 16 E 7.83 4.44 0.00 2.08 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 2.28 2.26 0.00 17 S 8.41 5.30 0.00 3.66 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 18 L 8.34 4.80 0.00 1.64 1.61 0.68 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.23 4.99 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 1.15 0.00 0.00 20 I 8.58 4.68 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 1.22 0.00 0.00 21 N 9.22 5.37 0.00 2.59 2.67 0.00 0.00 6.49 8.21 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 22 C 9.18 5.37 0.00 1.37 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 0.00 0.00 0.00 0.00 23 V 8.35 4.91 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 1.05 0.00 0.00 0.93 0.00 0.00 24 L 8.88 4.92 0.00 1.81 1.62 0.92 0.85 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 25 R 8.82 4.69 0.00 1.65 1.80 0.00 3.59 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 26 D 8.67 4.40 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.60 0.00 3.77 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 28 N 8.76 4.77 0.00 2.89 2.82 0.00 0.00 6.97 7.66 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 29 C 7.86 4.52 0.00 2.95 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 30 A 8.15 4.23 1.22 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 0.00 0.00 31 L 8.18 4.14 0.00 1.56 1.57 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.31 4.55 0.00 3.87 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 33 S 8.20 4.71 0.00 3.58 3.34 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 34 T 7.65 4.62 3.45 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 0.06 0.00 0.00 35 Y 8.55 4.72 0.00 2.80 2.42 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 36 W 8.41 5.33 0.00 3.20 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 37 Y 9.27 5.52 0.00 3.04 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 38 R 9.27 4.70 0.00 1.15 1.48 0.00 2.94 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.00 39 K 8.63 4.96 0.00 1.79 1.60 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.29 7.81 40 K 8.62 4.67 0.00 1.75 1.72 0.00 1.76 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 41 S 7.93 4.18 0.00 4.07 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 42 G 8.87 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 43 S 8.17 4.78 0.00 3.78 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 44 T 8.10 4.43 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 45 N 8.43 4.76 0.00 2.81 2.66 0.00 0.00 6.87 7.53 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 46 E 8.82 4.33 0.00 1.93 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 0.00 2.24 2.32 0.00 47 E 9.38 4.83 0.00 2.00 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 2.24 2.42 0.00 48 S 8.72 4.99 0.00 3.83 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 49 I 8.05 4.13 1.86 0.00 0.00 0.70 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 0.86 0.31 0.00 0.00 50 S 8.39 4.37 0.00 3.83 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 51 K 8.55 3.99 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 52 G 10.15 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 53 G 8.31 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 54 R 8.81 3.80 0.00 1.42 1.73 0.00 3.13 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 55 Y 7.97 4.73 0.00 3.14 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 56 V 8.69 4.55 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 1.00 0.00 0.00 0.88 0.00 0.00 57 E 8.74 4.98 0.00 2.01 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 2.41 2.79 0.00 58 T 8.84 4.77 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 1.24 0.00 0.00 59 V 8.56 4.87 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 0.78 0.00 0.00 0.98 0.00 0.00 60 N 9.40 4.85 0.00 2.75 2.70 0.00 0.00 7.02 7.61 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 61 S 8.86 4.18 0.00 3.92 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 62 G 8.24 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 63 S 8.39 4.48 0.00 4.03 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 64 K 7.80 3.91 0.00 2.19 1.94 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 65 S 8.23 5.51 0.00 3.92 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 66 F 9.26 5.63 0.00 3.34 3.09 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 0.00 0.00 0.00 0.00 67 S 9.60 5.20 0.00 4.04 3.71 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 68 L 8.74 4.64 0.00 0.27 0.18 0.54 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.74 4.76 0.00 1.81 1.66 0.00 3.03 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 70 I 8.42 4.60 1.67 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 1.16 0.90 0.46 0.00 0.00 71 N 8.50 4.89 0.00 2.47 2.64 0.00 0.00 6.97 7.69 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 72 D 8.29 4.28 0.00 2.74 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 73 L 7.97 4.24 0.00 1.68 1.57 0.84 0.41 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 74 T 8.70 4.89 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 1.21 0.00 0.00 75 V 8.46 3.62 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 0.83 0.00 0.00 0.95 0.00 0.00 76 E 8.16 4.04 0.00 1.99 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 2.34 2.37 0.00 77 D 8.10 4.76 0.00 2.90 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 78 S 8.55 4.49 0.00 4.02 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 79 G 7.68 4.13 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 0.00 0.00 0.00 80 T 8.32 5.19 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 1.28 0.00 0.00 81 Y 9.61 5.30 0.00 3.00 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 82 R 9.42 5.43 0.00 1.99 2.01 0.00 3.30 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 83 C 8.85 4.81 0.00 1.76 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 84 K 8.84 4.86 0.00 1.70 1.75 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.11 0.67 7.81 85 P 0.00 4.96 0.00 1.99 1.85 0.00 3.88 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 1.90 2.06 0.00 86 E 9.10 4.88 0.00 1.97 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 2.20 2.43 0.00 87 S 8.82 4.94 0.00 3.82 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 88 R 8.80 4.06 0.00 1.80 1.52 0.00 3.28 0.00 0.00 3.14 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 *93 D 9.12 4.40 0.00 2.73 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 94 A 8.13 4.36 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 95 E 8.20 4.10 0.00 2.04 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 2.37 2.40 0.00 96 C 8.11 4.54 0.00 3.29 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 97 A 7.92 4.12 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 98 A 7.57 4.05 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 99 L 7.52 4.26 0.00 1.77 1.63 0.93 0.56 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 0.00 100 N 8.04 4.85 0.00 2.80 2.78 0.00 0.00 6.76 7.53 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 0.00 101 D 7.86 4.86 0.00 2.78 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 0.00 102 Q 7.86 4.68 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 103 Y 8.42 4.85 0.00 2.90 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 0.00 104 G 8.51 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 0.00 0.00 0.00 105 G 8.48 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 0.00 106 G 8.27 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 0.00 0.00 0.00 0.00 107 T 9.17 4.85 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 1.27 0.00 0.00 108 V 9.06 4.52 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 0.81 0.00 0.00 0.98 0.00 0.00 109 V 9.21 4.77 2.40 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 0.97 0.00 0.00 0.77 0.00 0.00 110 T 9.72 4.78 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 1.26 0.00 0.00 111 V 8.98 4.75 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 0.81 0.00 0.00 0.95 0.00 0.00 112 N 8.77 4.90 0.00 2.95 2.70 0.00 0.00 6.43 7.69 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 0.00 113 A 8.69 4.14 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.