NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.4174 8.1127 119.6679 55.5914 33.2909 173.6111 4 R 4.8778 9.0743 122.4459 54.3787 31.8543 173.2764 5 I 4.9470 8.8519 127.8999 59.4028 40.7017 173.9375 6 L 4.7873 8.5348 129.7342 54.1722 43.5158 175.3594 7 V 4.6205 9.0211 127.7373 61.4289 33.4984 174.7191 8 V 4.7032 9.0903 130.6010 61.6600 32.6216 174.3445 9 E 4.9512 8.8402 129.5708 55.3447 32.6917 175.5887 10 D 4.5775 8.8472 126.1439 54.4606 40.3141 176.6324 11 E 4.2669 8.4306 120.6257 54.8248 29.7692 176.3589 12 A 3.9886 8.5760 126.9979 54.9789 18.3412 177.0370 13 P 4.1822 0.0000 0.0000 65.9913 31.4020 178.9227 14 I 3.6968 7.6793 117.9281 64.1595 36.9992 178.3260 15 R 3.9081 8.3068 119.8501 59.5532 29.9228 178.4417 16 E 3.9982 8.5264 118.7485 59.5897 29.5612 178.7926 17 M 3.9818 8.2564 118.4300 58.9302 32.2860 178.5510 18 V 3.7657 8.0308 118.1793 66.1891 31.6665 177.7557 19 C 4.1829 8.5828 116.9994 62.6968 27.8770 175.8134 20 F 4.0505 8.5865 122.3743 61.2715 38.5269 177.1539 21 V 3.6677 7.9707 117.5272 66.1247 31.2886 177.5925 22 L 3.9935 7.8072 118.3717 58.2415 41.4216 179.4296 23 E 4.1455 8.4982 118.4213 59.5833 29.2168 178.7774 24 Q 4.3155 7.8745 114.5668 56.3471 28.7623 176.0651 25 N 4.8735 7.4030 116.1271 52.8004 39.5523 175.5385 26 G 3.7515 8.0420 106.3593 45.2346 0.0000 174.1320 27 F 4.4131 7.9622 118.2084 57.1289 40.5880 176.1029 28 Q 4.7249 9.3677 120.4946 53.4603 28.9343 172.8996 29 P 5.0160 0.0000 0.0000 62.5380 32.8784 176.3973 30 V 4.5747 9.3514 115.9443 59.6946 35.4847 174.2002 31 E 5.0820 8.7934 122.8840 54.8765 31.1937 175.2469 32 A 4.8339 9.1283 126.3458 50.0700 21.9149 176.2168 33 E 4.5536 8.6915 117.7876 55.1016 30.6184 174.9739 34 D 4.2723 7.1243 118.9014 52.0830 42.7509 175.7358 35 Y 3.8553 7.6194 119.3724 61.1217 38.6656 177.8910 36 D 4.4386 8.2907 119.4681 57.4436 40.8512 178.7897 37 S 4.1768 8.9094 113.5864 60.8739 63.3400 176.1910 38 A 3.9804 7.7585 124.8671 55.0462 17.9321 179.5308 39 V 3.6308 8.0093 117.2330 66.4009 31.3183 177.7710 40 N 4.5046 8.1750 114.3306 55.2370 38.4361 176.1925 41 Q 4.4651 7.8237 117.9704 55.2768 30.5528 176.5604 42 L 4.5655 7.3756 122.1132 52.6234 39.8327 174.8515 43 N 3.5658 6.7818 119.1673 50.8897 40.2971 174.3595 44 E 3.6717 7.5646 118.4519 55.1610 29.9924 175.3159 45 P 4.3630 0.0000 0.0000 61.8389 32.3752 176.3624 46 W 4.5649 8.3509 120.8760 55.1508 29.7648 174.3723 47 P 4.4658 0.0000 0.0000 63.1703 31.3132 176.6773 48 D 4.6533 9.0049 123.1180 57.1859 41.6652 176.5762 49 L 4.7394 7.8095 118.2089 53.8730 45.9276 173.9922 50 I 4.9131 9.1948 126.8310 59.6753 39.6418 174.5293 51 L 4.8896 8.9628 128.3241 53.4880 43.1675 175.4663 52 L 4.9014 8.7587 126.4869 52.9662 44.7066 175.1325 53 D 5.1468 9.2491 127.4835 53.8886 42.1412 177.1339 54 W 4.4811 9.3986 122.3925 58.9068 29.5748 175.7024 55 M 4.4945 6.7760 116.4353 53.2042 33.7951 174.0518 56 L 4.7784 8.0016 124.6635 51.6514 45.4838 174.1384 57 P 4.2680 0.0000 0.0000 63.8959 31.9014 176.4886 58 G 3.7508 10.7515 111.1219 45.5173 0.0000 173.8550 59 G 3.8026 7.4443 106.6070 43.1855 0.0000 173.6702 60 S 4.3962 8.6722 121.3866 57.8981 64.8987 174.9546 61 G 4.0121 8.5226 108.9265 48.7303 0.0000 175.9940 62 I 3.8308 7.8927 122.0969 63.6396 37.3640 177.9331 63 Q 4.0447 8.1793 120.5191 59.5717 28.8105 178.7162 64 F 4.4479 8.7180 121.3642 61.4189 39.4225 177.1806 65 I 3.6577 8.1737 119.6803 64.1327 36.6621 178.2470 66 K 3.8585 8.6214 119.0522 60.0522 31.8710 178.4028 67 H 4.2776 8.0488 117.6845 59.2204 29.5222 177.3535 68 L 3.7649 7.3271 120.0268 57.2761 41.3966 178.9479 69 K 4.1558 7.9262 117.2250 57.8402 32.0679 178.8203 70 R 4.0144 7.3894 117.0926 56.7821 30.8165 176.2407 71 E 4.6995 7.1962 119.0012 53.3687 32.0134 176.9394 72 S 4.0938 8.5917 117.6472 61.7257 62.7101 176.7032 73 M 3.8810 7.9016 121.5021 57.3505 31.8659 177.3994 74 T 4.1332 6.9484 105.4583 61.5891 70.2040 176.0824 75 R 3.8631 7.5147 120.7496 58.6666 29.9508 176.4003 76 D 4.7490 7.4477 115.1050 53.6869 41.4953 175.8634 77 I 3.8532 7.5586 122.0767 60.1815 37.4373 174.1945 78 P 5.1779 0.0000 0.0000 62.7490 32.5012 175.2852 79 V 4.8449 8.8313 123.1838 60.9796 34.8298 173.9775 80 V 4.6576 8.7267 127.5864 61.2294 34.1765 174.0992 81 M 4.8994 9.0103 128.2875 55.0706 34.3011 174.6327 82 L 5.3127 9.4951 126.0512 53.8802 43.4838 175.5807 83 T 4.7814 8.9973 120.8040 61.7057 71.1549 175.4204 84 A 4.0435 7.9357 126.8103 53.9477 19.4180 177.5578 *97 T 4.4492 7.0732 108.7735 62.7091 68.3399 172.1465 98 G 3.8301 8.9971 118.6149 45.9902 0.0000 174.5063 99 A 4.3005 7.6670 121.7866 50.9810 19.8841 176.8465 100 D 4.4660 8.4599 121.2672 57.2400 42.1756 175.6901 101 D 4.6185 7.4444 115.5023 53.1433 45.6504 173.0709 102 Y 5.3216 8.2766 115.1901 56.3224 42.5736 174.5281 103 I 4.6730 9.1590 123.0195 59.6571 41.5402 174.0613 104 T 4.9159 8.7762 125.8841 62.9004 69.6515 174.2770 105 K 4.2027 10.0446 126.1384 54.7188 33.0677 175.1731 106 P 4.1566 0.0000 0.0000 61.8221 32.5219 175.0832 107 F 5.0639 7.0053 114.0593 54.5103 41.2019 175.1199 108 S 4.6920 8.4435 116.0819 56.9121 65.7180 173.1128 109 P 4.3637 0.0000 0.0000 66.1026 31.0960 179.1094 110 K 4.1086 8.0891 116.6333 59.6111 32.6395 178.7344 111 E 3.8846 7.9985 120.7155 58.9732 29.5975 178.3984 112 L 3.5791 7.8864 120.3657 58.1635 42.1233 179.2392 113 V 3.5303 7.7154 117.6383 65.6426 31.4687 177.6307 114 A 3.9475 8.1538 120.7483 55.2745 18.3402 179.2636 115 R 3.7436 7.8337 116.8312 59.8230 30.1439 178.4656 116 I 3.5980 7.5927 119.1931 64.6178 37.2435 178.7014 117 K 4.1493 8.1480 118.6944 59.0505 31.7879 179.4353 118 A 3.9587 7.9808 121.3732 55.2734 18.1581 179.8737 119 V 3.5463 7.4313 115.1265 66.3541 31.6070 177.8494 120 M 4.2507 7.9237 117.7554 58.2652 32.0256 178.4866 121 R 4.1469 7.7810 115.8248 57.7876 30.3463 177.4897 122 R 4.2244 7.3673 122.3743 56.4480 30.2041 176.0621 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 3 R 8.11 4.42 0.00 1.79 2.03 0.00 2.96 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 4 R 9.07 4.88 0.00 1.93 1.86 0.00 3.05 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 5 I 8.85 4.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.82 0.00 0.00 6 L 8.53 4.79 0.00 1.86 1.60 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.02 4.62 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 0.94 0.00 0.00 0.93 0.00 0.00 8 V 9.09 4.70 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 0.65 0.00 0.00 0.74 0.00 0.00 9 E 8.84 4.95 0.00 2.14 1.75 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 2.31 2.44 0.00 10 D 8.85 4.58 0.00 2.78 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 11 E 8.43 4.27 0.00 2.23 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 2.27 2.29 0.00 12 A 8.58 3.99 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 13 P 0.00 4.18 0.00 2.15 2.10 0.00 3.52 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 2.10 2.17 0.00 14 I 7.68 3.70 2.01 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 1.48 0.57 0.96 0.00 0.00 15 R 8.31 3.91 0.00 1.98 2.05 0.00 3.10 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 E 8.53 4.00 0.00 2.03 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 2.36 2.46 0.00 17 M 8.26 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 18 V 8.03 3.77 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 1.02 0.00 0.00 1.22 0.00 0.00 19 C 8.58 4.18 0.00 3.06 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 20 F 8.59 4.05 0.00 3.25 3.25 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 21 V 7.97 3.67 2.20 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 1.09 0.00 0.00 1.19 0.00 0.00 22 L 7.81 3.99 0.00 1.99 1.79 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.50 4.15 0.00 2.08 1.90 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 2.34 2.53 0.00 24 Q 7.87 4.32 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.15 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 25 N 7.40 4.87 0.00 3.00 2.96 0.00 0.00 7.03 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 26 G 8.04 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 0.00 0.00 0.00 27 F 7.96 4.41 0.00 3.00 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 28 Q 9.37 4.72 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 29 P 0.00 5.02 0.00 2.11 2.07 0.00 3.75 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 2.03 2.14 0.00 30 V 9.35 4.57 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 0.70 0.00 0.00 0.98 0.00 0.00 31 E 8.79 5.08 0.00 1.84 1.87 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 2.25 2.31 0.00 32 A 9.13 4.83 1.07 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 0.00 0.00 0.00 0.00 0.00 33 E 8.69 4.55 0.00 2.10 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 0.00 2.19 2.15 0.00 34 D 7.12 4.27 0.00 3.09 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 35 Y 7.62 3.86 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 36 D 8.29 4.44 0.00 2.91 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 37 S 8.91 4.18 0.00 3.94 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 38 A 7.76 3.98 0.75 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 0.00 0.00 39 V 8.01 3.63 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 1.00 0.00 0.00 0.41 0.00 0.00 40 N 8.17 4.50 0.00 2.97 2.85 0.00 0.00 7.03 7.15 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 41 Q 7.82 4.47 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.33 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 42 L 7.38 4.57 0.00 1.86 2.07 1.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 6.78 3.57 0.00 2.53 2.61 0.00 0.00 6.13 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 44 E 7.56 3.67 0.00 1.74 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 2.09 2.21 0.00 45 P 0.00 4.36 0.00 2.18 2.02 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 46 W 8.35 4.56 0.00 3.31 3.17 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 47 P 0.00 4.47 0.00 2.15 2.08 0.00 4.09 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 2.22 2.24 0.00 48 D 9.00 4.65 0.00 2.76 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 49 L 7.81 4.74 0.00 1.68 1.43 0.87 0.82 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 50 I 9.19 4.91 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 1.11 0.00 0.00 51 L 8.96 4.89 0.00 1.68 1.60 0.83 0.01 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 52 L 8.76 4.90 0.00 1.82 1.57 0.88 1.16 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 53 D 9.25 5.15 0.00 2.98 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 54 W 9.40 4.48 0.00 3.71 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 6.78 4.49 0.00 0.76 0.57 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 56 L 8.00 4.78 0.00 1.76 1.46 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.27 0.00 2.19 2.14 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 58 G 10.75 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 0.00 0.00 0.00 59 G 7.44 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 60 S 8.67 4.40 0.00 4.08 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 61 G 8.52 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 0.00 0.00 0.00 62 I 7.89 3.83 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.00 1.04 0.00 0.00 63 Q 8.18 4.04 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 64 F 8.72 4.45 0.00 3.32 3.38 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 65 I 8.17 3.66 2.06 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 1.55 0.57 0.93 0.00 0.00 66 K 8.62 3.86 0.00 2.04 1.95 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 67 H 8.05 4.28 0.00 3.39 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.33 3.76 0.00 1.68 1.54 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.93 4.16 0.00 1.74 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.58 7.81 70 R 7.39 4.01 0.00 1.98 1.91 0.00 3.10 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 71 E 7.20 4.70 0.00 1.91 1.68 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 2.16 2.32 0.00 72 S 8.59 4.09 0.00 3.96 4.06 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 0.00 0.00 0.00 0.00 73 M 7.90 3.88 0.00 1.33 1.87 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 74 T 6.95 4.13 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 1.04 0.00 0.00 75 R 7.51 3.86 0.00 1.96 1.91 0.00 3.17 0.00 0.00 3.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 76 D 7.45 4.75 0.00 2.58 2.57 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 77 I 7.56 3.85 1.91 0.00 0.00 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 1.23 0.28 0.94 0.00 0.00 78 P 0.00 5.18 0.00 2.05 2.01 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 79 V 8.83 4.84 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 1.06 0.00 0.00 0.99 0.00 0.00 80 V 8.73 4.66 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 0.84 0.00 0.00 0.84 0.00 0.00 81 M 9.01 4.90 0.00 2.60 2.02 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.95 0.00 82 L 9.50 5.31 0.00 1.81 1.85 1.12 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.00 4.78 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 0.82 0.00 0.00 84 A 7.94 4.04 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 *97 T 7.07 4.45 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 1.27 0.00 0.00 98 G 9.00 3.83 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 0.00 0.00 0.00 99 A 7.67 4.30 0.90 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 0.00 100 D 8.46 4.47 0.00 2.59 2.66 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 0.00 101 D 7.44 4.62 0.00 2.60 2.37 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 0.00 102 Y 8.28 5.32 0.00 2.89 2.73 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 0.00 103 I 9.16 4.67 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.81 0.73 0.00 0.00 104 T 8.78 4.92 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 1.25 0.00 0.00 105 K 10.04 4.20 0.00 1.70 1.60 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.20 1.53 7.81 106 P 0.00 4.16 0.00 2.05 1.90 0.00 3.66 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 1.92 1.89 0.00 107 F 7.01 5.06 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 0.00 108 S 8.44 4.69 0.00 4.14 4.09 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 0.00 109 P 0.00 4.36 0.00 2.26 2.27 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 110 K 8.09 4.11 0.00 2.01 2.10 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 111 E 8.00 3.88 0.00 2.14 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 2.34 2.52 0.00 112 L 7.89 3.58 0.00 1.35 1.71 0.38 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.72 3.53 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 1.12 0.00 0.00 1.05 0.00 0.00 114 A 8.15 3.95 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 0.00 115 R 7.83 3.74 0.00 2.11 1.83 0.00 3.14 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 116 I 7.59 3.60 1.63 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.64 0.00 0.00 117 K 8.15 4.15 0.00 2.14 1.92 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.79 7.81 118 A 7.98 3.96 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 0.00 119 V 7.43 3.55 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 0.83 0.00 0.00 0.94 0.00 0.00 120 M 7.92 4.25 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 121 R 7.78 4.15 0.00 1.83 1.99 0.00 3.34 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 122 R 7.37 4.22 0.00 2.14 1.84 0.00 3.18 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.