NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0743 8.1832 117.5850 52.3128 38.8027 175.0464 2 L 4.0797 8.1264 118.3565 56.6758 41.4021 178.9776 3 F 4.1273 8.9533 119.9435 60.8254 39.3711 177.1292 4 Q 4.0668 8.4537 117.0292 59.0714 28.5636 178.8088 5 F 4.6052 8.0853 121.1839 61.0634 38.8662 177.1484 6 A 3.1312 7.7722 120.6004 54.6526 17.7564 179.7627 7 R 3.7643 7.5191 115.3409 59.5625 30.1612 179.0989 8 L 4.1735 8.3607 119.0209 57.6961 41.3299 179.5759 9 I 3.6728 7.1871 118.7574 64.6027 37.4641 177.8839 10 D 4.5103 7.7357 118.5595 56.9771 40.2983 178.3873 11 A 3.5891 7.1917 121.5106 54.9254 18.3933 178.5389 12 K 4.2492 7.9681 114.5951 58.5295 33.2852 176.5505 13 Q 4.6453 7.2680 119.0392 55.6315 31.2426 175.0641 14 E 4.4924 8.4658 121.5347 55.7827 32.7762 175.1027 *16 A 4.2504 8.2481 121.5768 53.0218 19.3919 177.0584 17 F 3.6233 10.3652 120.2250 57.9439 37.6651 176.2467 18 S 4.5409 7.7818 117.9382 57.5159 61.1328 174.3283 19 F 5.0178 6.7346 112.3695 56.5959 40.8541 177.1442 20 F 4.1017 6.6233 119.6385 60.0462 38.7346 176.4828 21 K 4.3818 7.5033 117.9413 57.0526 32.1784 176.5678 22 Y 4.9593 7.9524 114.5987 57.8515 39.9983 177.3875 23 I 4.0473 7.8314 122.2653 64.5030 37.5150 175.4007 24 S 4.6633 7.6895 111.5514 57.8606 63.0524 171.4777 25 Y 4.9241 9.3120 126.6225 56.5680 41.4878 174.4207 26 G 4.0774 8.9660 119.2851 46.6715 0.0000 173.7681 27 C 4.5205 9.7074 118.1084 57.4715 41.2050 174.9761 28 Y 4.3445 8.2373 115.1657 58.9305 40.1177 174.4208 29 C 4.4741 8.4754 117.7759 58.2226 40.4911 173.5888 30 G 4.1228 8.6070 116.0779 45.4388 0.0000 172.6264 31 W 4.2890 8.6148 124.7802 57.7986 30.0251 176.3665 32 G 4.1226 8.9694 113.6771 47.6304 0.0000 172.4485 33 G 4.3242 9.6798 109.5601 45.6249 0.0000 172.7623 34 Q 4.4552 7.3421 115.4624 56.0163 30.7782 173.2758 35 G 3.8364 9.2366 104.0823 46.0164 0.0000 171.0852 36 T 3.3079 8.2041 114.8185 59.5162 70.1439 169.9084 37 P 4.7669 0.0000 0.0000 63.1456 31.6933 175.8062 38 K 4.5327 8.5859 115.1003 55.2733 34.1177 175.8157 39 D 4.3218 7.8006 117.8294 51.7026 41.0522 176.9645 40 A 3.9352 8.1679 120.5828 56.1844 17.7864 179.3567 41 T 4.0991 8.1132 111.6914 67.3290 68.9063 175.1554 42 D 4.8914 8.5703 118.7454 58.0211 40.8220 178.8842 43 R 3.9618 8.0978 118.1261 59.7051 29.9793 178.6854 44 C 4.0938 8.0312 115.9371 63.0934 27.7840 175.5355 45 C 4.5885 8.6157 117.5134 59.0841 38.0173 175.6877 46 F 3.9694 7.8591 122.3316 60.8530 39.0940 177.3466 47 V 3.2265 8.7830 117.2268 66.2998 30.9238 177.2560 48 H 3.9269 8.3649 118.1580 59.2206 29.7051 176.6603 49 D 4.0781 7.3973 120.5119 57.5091 40.4991 177.8583 50 C 4.0898 8.1245 115.4570 58.5807 41.6350 174.8153 51 C 4.1528 7.4830 121.4849 61.9346 31.6385 174.9898 52 Y 4.3517 7.1177 117.0867 61.0523 37.1657 178.4476 53 A 4.0681 7.9238 120.1121 54.5119 18.5657 178.9215 54 R 4.3515 7.8010 115.4356 56.6582 30.4940 176.2945 55 V 3.4989 7.3902 118.0950 63.0360 31.4452 175.3303 56 K 4.2187 8.4892 128.2178 55.6200 33.8644 176.7414 *58 G 4.4345 8.5408 112.0609 44.8155 0.0000 174.9742 59 C 4.1244 8.9201 119.2868 55.2721 40.3900 171.9861 *61 N 4.7261 8.2168 116.8393 53.2832 39.3786 173.2189 *68 P 4.1616 0.0000 0.0000 62.2611 33.3918 177.9401 69 K 3.9597 8.3616 119.4012 58.1670 32.2327 177.7658 70 L 4.5065 7.8801 115.9757 54.1757 42.4293 176.1959 71 V 4.0535 7.3932 119.4037 60.1700 32.1277 175.2545 72 E 4.2347 8.6474 125.3581 55.2275 30.2782 175.4635 73 Y 4.8150 7.5964 121.1847 55.1963 39.8034 174.4248 74 S 5.1144 8.5973 114.6931 56.9304 64.1605 172.1716 75 Y 5.1955 8.4413 123.7021 56.0104 41.1128 173.9155 76 S 4.4472 8.8434 114.3726 56.8724 66.4801 172.3340 77 Y 4.6118 8.7327 128.2580 56.5340 39.3055 173.6732 78 R 4.4310 7.8628 126.1601 56.5656 32.2283 178.2525 79 T 3.5578 8.8531 119.3542 64.7982 65.7990 172.2164 80 G 3.9933 7.5611 105.9969 45.5759 0.0000 174.8358 81 K 4.1035 7.1584 120.8432 54.9105 34.2177 174.5462 82 I 4.4169 8.4816 128.7166 61.6339 37.3997 175.7859 83 V 4.1105 8.5566 128.4693 60.6063 33.1872 174.9009 84 C 4.5578 8.9839 123.9723 55.9118 40.0730 173.2467 85 G 3.9927 8.2357 109.5372 44.5316 0.0000 170.8652 86 G 4.2312 8.0599 114.4879 44.3759 0.0000 171.4885 *88 D 4.2976 8.4357 122.6769 53.8891 42.4998 175.7266 89 D 4.6175 7.7550 118.0281 51.2534 43.8241 172.5413 90 P 4.2227 0.0000 0.0000 66.0118 31.2364 177.1494 91 C 4.2373 8.3372 112.6375 58.6172 35.8056 175.8340 92 L 3.9711 7.9924 121.7843 57.0029 41.1412 179.1176 93 R 3.7790 8.3005 117.0885 60.0875 30.1360 177.4686 94 A 3.8421 8.1901 119.4586 55.4671 18.2055 179.3910 95 V 3.5519 7.7778 114.7753 66.3544 31.6853 177.5183 96 C 2.8422 7.5371 117.2879 59.6718 40.7848 175.5164 97 E 3.6198 8.1637 120.1455 58.9479 29.0603 178.2213 98 C 4.1372 8.5222 116.9094 61.9920 28.1326 175.1218 99 D 4.4783 7.7264 119.8854 56.1913 40.9660 178.6625 100 R 3.8543 8.1126 119.7889 59.4768 29.9773 178.6403 101 V 3.5167 7.4628 116.3918 65.8553 31.6993 177.6521 102 A 3.7760 7.5520 119.5924 55.1718 18.4251 179.2463 103 A 4.0493 8.3281 119.5152 55.7895 18.1127 179.9381 104 I 3.8384 7.5599 117.1403 64.5193 37.3001 177.5936 105 C 4.0430 8.0247 120.0441 62.3854 31.1177 175.4085 106 F 4.3936 7.4679 119.4941 60.6041 38.8831 177.0553 107 R 3.6069 8.0092 112.7117 60.0553 29.4885 177.6463 108 E 4.0300 8.7706 126.0655 59.7058 30.4265 177.7418 109 N 4.9587 7.6633 114.8358 53.5302 38.8109 175.2334 110 M 4.4618 8.0480 116.9601 55.9875 32.5192 176.0509 111 N 4.8327 8.0790 113.9045 54.6346 39.7265 175.4664 112 T 4.3995 7.8886 106.6428 61.4197 69.6640 174.3831 113 Y 4.1158 7.8723 123.6261 58.4484 39.2055 175.0917 114 D 4.6412 7.6575 125.4678 52.6742 44.4233 175.1807 115 K 3.9764 8.9698 126.5550 59.9425 33.1405 177.5068 116 K 4.3618 7.2269 119.8409 54.7903 30.0743 176.9155 117 Y 3.7380 6.6647 110.8828 58.5026 40.9655 174.0466 118 M 4.3624 7.1232 120.0220 54.9516 33.5527 176.5693 119 L 4.0733 8.0205 116.4572 54.9304 39.0384 173.1357 120 Y 5.2714 7.9131 118.9016 56.0417 42.2954 176.8187 121 S 4.8109 7.9674 116.0204 58.9566 62.9705 175.4530 122 I 4.3655 8.2717 114.5015 60.6469 37.9397 175.9042 *124 F 5.1453 8.0137 117.4052 57.5270 40.5129 174.4614 125 D 4.6730 7.9070 116.2575 54.0154 43.9573 176.1293 126 C 5.0658 7.5934 113.7911 56.6349 40.9079 174.4760 127 K 4.3422 7.9820 115.8229 56.5250 32.8288 175.9055 128 E 4.1942 7.7266 119.5134 56.1973 30.1126 177.4409 129 E 4.1559 8.3706 118.9155 56.1218 27.1322 174.4011 130 S 4.2214 8.3672 118.7226 57.7129 62.5984 173.4375 131 D 4.2908 8.5125 122.9023 54.9236 41.2820 176.6433 132 Q 4.6175 8.4037 124.5001 54.6146 30.3774 176.4914 133 C 4.4938 8.8417 115.7184 57.7925 41.2117 174.1697 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 8.18 5.07 0.00 2.98 3.02 0.00 0.00 6.14 5.79 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 2 L 8.13 4.08 0.00 1.66 1.72 0.97 0.99 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 3 F 8.95 4.13 0.00 3.40 2.95 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 4 Q 8.45 4.07 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 5 F 8.09 4.61 0.00 3.15 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 6 A 7.77 3.13 0.18 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 7 R 7.52 3.76 0.00 1.96 2.12 0.00 3.30 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 8 L 8.36 4.17 0.00 1.72 1.77 0.77 1.07 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 9 I 7.19 3.67 1.75 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.03 0.90 0.00 0.00 10 D 7.74 4.51 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.19 3.59 0.82 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 0.00 0.00 12 K 7.97 4.25 0.00 1.77 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 13 Q 7.27 4.65 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 14 E 8.47 4.49 0.00 1.91 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 2.23 2.21 0.00 *16 A 8.25 4.25 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 17 F 10.37 3.62 0.00 3.25 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 18 S 7.78 4.54 0.00 3.91 3.77 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 19 F 6.73 5.02 0.00 2.97 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 20 F 6.62 4.10 0.00 2.98 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 21 K 7.50 4.38 0.00 1.65 1.69 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.58 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.78 0.21 7.81 22 Y 7.95 4.96 0.00 3.07 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 23 I 7.83 4.05 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 1.18 0.00 0.00 24 S 7.69 4.66 0.00 3.99 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 25 Y 9.31 4.92 0.00 3.12 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 26 G 8.97 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 0.00 0.00 0.00 0.00 27 C 9.71 4.52 0.00 3.01 2.69 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 0.00 0.00 0.00 28 Y 8.24 4.34 0.00 3.32 3.31 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 29 C 8.48 4.47 0.00 3.59 3.56 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 30 G 8.61 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.61 4.29 0.00 3.35 3.33 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 32 G 8.97 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.68 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 0.00 0.00 0.00 0.00 34 Q 7.34 4.46 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 35 G 9.24 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 0.00 0.00 0.00 36 T 8.20 3.31 4.19 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 1.23 0.00 0.00 37 P 0.00 4.77 0.00 2.03 2.13 0.00 3.46 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 38 K 8.59 4.53 0.00 1.28 1.47 0.00 2.16 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.43 7.81 39 D 7.80 4.32 0.00 2.90 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 40 A 8.17 3.94 1.40 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 0.00 0.00 0.00 41 T 8.11 4.10 4.64 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 1.28 0.00 0.00 42 D 8.57 4.89 0.00 3.17 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 43 R 8.10 3.96 0.00 2.10 1.96 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 44 C 8.03 4.09 0.00 1.92 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 0.00 0.00 0.00 0.00 45 C 8.62 4.59 0.00 3.60 3.40 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 0.00 46 F 7.86 3.97 0.00 2.55 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 47 V 8.78 3.23 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 0.75 0.00 0.00 0.97 0.00 0.00 48 H 8.36 3.93 0.00 3.05 3.17 0.00 5.65 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 49 D 7.40 4.08 0.00 2.59 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 0.00 0.00 0.00 0.00 50 C 8.12 4.09 0.00 2.58 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 51 C 7.48 4.15 0.00 2.98 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 52 Y 7.12 4.35 0.00 3.03 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 53 A 7.92 4.07 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 54 R 7.80 4.35 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 55 V 7.39 3.50 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 0.82 0.00 0.00 0.98 0.00 0.00 56 K 8.49 4.22 0.00 1.84 1.71 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.63 7.81 *58 G 8.54 4.43 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 0.00 59 C 8.92 4.12 0.00 3.09 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 *61 N 8.22 4.73 0.00 2.71 2.69 0.00 0.00 7.66 7.71 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 *68 P 0.00 4.16 0.00 0.72 0.49 0.00 3.60 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 69 K 8.36 3.96 0.00 1.61 1.70 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 70 L 7.88 4.51 0.00 1.60 1.65 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.39 4.05 2.32 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 0.75 0.00 0.00 0.92 0.00 0.00 72 E 8.65 4.23 0.00 1.93 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 2.26 2.31 0.00 73 Y 7.60 4.81 0.00 3.01 2.97 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 74 S 8.60 5.11 0.00 4.01 4.03 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 75 Y 8.44 5.20 0.00 3.10 2.97 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 76 S 8.84 4.45 0.00 3.83 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 77 Y 8.73 4.61 0.00 3.20 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 78 R 7.86 4.43 0.00 1.75 1.71 0.00 3.16 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 79 T 8.85 3.56 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 1.16 0.00 0.00 80 G 7.56 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 81 K 7.16 4.10 0.00 1.72 1.65 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.43 7.81 82 I 8.48 4.42 1.95 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 1.68 0.88 1.03 0.00 0.00 83 V 8.56 4.11 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 0.83 0.00 0.00 0.95 0.00 0.00 84 C 8.98 4.56 0.00 2.83 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 85 G 8.24 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 86 G 8.06 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 0.00 0.00 0.00 0.00 *88 D 8.44 4.30 0.00 2.72 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 89 D 7.75 4.62 0.00 2.65 2.50 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 90 P 0.00 4.22 0.00 2.18 2.10 0.00 3.65 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 2.11 2.16 0.00 91 C 8.34 4.24 0.00 3.15 3.43 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 92 L 7.99 3.97 0.00 1.89 1.86 0.98 0.89 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 93 R 8.30 3.78 0.00 1.77 2.15 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 94 A 8.19 3.84 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 95 V 7.78 3.55 2.29 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 1.02 0.00 0.00 0.89 0.00 0.00 96 C 7.54 2.84 0.00 1.89 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 97 E 8.16 3.62 0.00 2.14 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 2.25 2.33 0.00 98 C 8.52 4.14 0.00 3.05 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 99 D 7.73 4.48 0.00 2.86 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 0.00 100 R 8.11 3.85 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 101 V 7.46 3.52 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 0.78 0.00 0.00 0.91 0.00 0.00 102 A 7.55 3.78 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 0.00 103 A 8.33 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 3.84 2.02 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 1.44 0.70 0.95 0.00 0.00 105 C 8.02 4.04 0.00 2.91 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 0.00 0.00 0.00 106 F 7.47 4.39 0.00 3.00 2.97 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 0.00 107 R 8.01 3.61 0.00 2.02 1.84 0.00 3.27 0.00 0.00 3.20 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 108 E 8.77 4.03 0.00 1.97 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 2.39 0.00 109 N 7.66 4.96 0.00 2.91 2.96 0.00 0.00 6.89 7.55 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 0.00 110 M 8.05 4.46 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 111 N 8.08 4.83 0.00 2.81 2.90 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.89 4.40 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 1.32 0.00 0.00 113 Y 7.87 4.12 0.00 3.02 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 0.00 114 D 7.66 4.64 0.00 2.79 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 0.00 115 K 8.97 3.98 0.00 2.03 2.19 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.48 7.81 116 K 7.23 4.36 0.00 1.77 1.65 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.36 7.81 117 Y 6.66 3.74 0.00 2.18 1.55 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 0.00 118 M 7.12 4.36 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 119 L 8.02 4.07 0.00 1.71 1.66 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.91 5.27 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 0.00 121 S 7.97 4.81 0.00 3.98 3.43 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 0.00 122 I 8.27 4.37 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.96 0.00 0.00 *124 F 8.01 5.15 0.00 2.96 3.02 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 0.00 125 D 7.91 4.67 0.00 2.63 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 0.00 126 C 7.59 5.07 0.00 2.96 3.14 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 0.00 127 K 7.98 4.34 0.00 1.83 1.99 0.00 1.56 0.00 0.00 1.92 0.00 0.00 2.42 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.34 7.81 128 E 7.73 4.19 0.00 1.99 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 2.27 2.36 0.00 129 E 8.37 4.16 0.00 1.94 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 0.00 2.31 2.39 0.00 130 S 8.37 4.22 0.00 3.92 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 0.00 131 D 8.51 4.29 0.00 2.48 2.34 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 0.00 132 Q 8.40 4.62 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 133 C 8.84 4.49 0.00 2.94 2.97 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 * Residues marked with a * may have inaccurate shift predictions.