NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6397 8.2233 119.5546 53.0245 41.9293 175.0204 2 K 4.5879 8.6421 120.7710 55.3050 33.3654 173.3933 3 A 4.7844 7.1096 120.0482 51.3498 22.3430 175.6904 4 T 4.5131 8.5578 109.4447 59.8994 72.9278 173.2070 5 I 4.3974 8.0219 122.5258 58.9583 37.8965 173.5462 6 P 4.3511 0.0000 0.0000 64.8594 31.8198 177.2053 7 S 4.5596 7.6527 112.0648 56.1130 64.9690 172.9444 8 E 4.1805 9.1898 128.9335 59.1012 29.6947 177.0477 9 S 4.7620 7.7976 112.5687 56.4781 64.5575 171.8834 10 P 4.9323 0.0000 0.0000 62.7119 31.9307 175.9058 11 F 5.2109 8.8255 117.3675 54.3503 41.9526 174.1870 12 A 4.3595 8.9029 120.9838 52.5491 18.2709 178.7418 13 A 3.9891 9.1747 125.5801 54.8048 18.7836 179.7015 14 A 4.1684 7.9918 117.9896 55.1171 18.6240 178.3518 15 E 4.1918 8.0596 113.2196 57.6949 29.7944 177.2222 16 V 3.9101 7.4413 118.9536 61.9352 32.0056 175.7286 17 A 4.1481 8.5006 130.3724 52.1166 18.9421 176.4687 18 D 4.5612 8.5190 120.0650 53.0935 40.6014 177.6512 19 G 3.9247 8.7566 105.0894 45.9061 0.0000 174.1088 20 A 4.0778 7.3921 122.3086 51.9851 19.1612 177.3077 21 I 3.9642 8.1866 122.0597 61.2032 38.2317 175.2273 22 V 4.7414 8.2471 126.6794 60.9291 34.5151 174.6110 23 V 4.2266 8.1628 128.0898 61.2302 32.8415 174.7921 24 D 5.1612 8.7122 128.1622 54.4190 42.6660 175.4659 25 I 5.1005 8.4699 121.4284 59.8199 40.6621 174.5330 26 A 4.6866 9.0073 126.4383 51.0768 23.3128 175.5184 27 K 4.0945 9.3664 115.3015 58.0845 29.6946 175.3305 28 M 3.2400 8.4071 112.5842 55.5052 30.3019 177.1490 29 K 4.3063 7.4910 114.2832 55.7378 34.4856 174.3515 30 Y 4.7512 8.2402 118.1335 57.8055 37.9299 176.5930 31 E 4.1728 9.2904 126.0415 58.7360 30.1587 177.7493 32 T 4.6892 7.3928 114.5635 60.6017 67.9933 172.0320 33 P 4.4019 0.0000 0.0000 64.6039 33.1299 175.3941 34 E 4.7652 8.2663 120.4204 54.1564 30.9505 174.1226 35 L 4.6041 8.5711 128.9995 53.6597 44.1345 174.5397 36 H 5.0988 8.8801 123.7617 54.6696 30.0614 174.5554 37 V 4.4895 8.7078 116.8517 59.3677 35.6297 174.8382 38 K 4.7422 8.9673 120.6616 54.6785 34.1498 177.0199 39 V 3.7028 8.3821 121.7316 65.1527 31.7100 175.3739 40 G 4.1249 9.3359 115.1123 45.4197 0.0000 173.8057 41 D 4.4873 7.9299 119.2852 55.3360 42.0427 175.9905 42 T 4.8799 8.4385 119.0881 62.3399 70.0850 174.1584 43 V 4.0314 9.1533 127.2753 61.6470 33.6779 174.6345 44 T 5.0749 8.2261 124.1507 61.4686 71.2246 173.3342 45 W 4.7623 9.2235 127.8971 56.4798 30.6970 175.7033 46 I 5.0276 9.0139 125.2612 59.4298 40.3701 174.0688 47 N 5.0275 9.1831 126.3479 53.3638 39.4575 175.3901 48 R 4.6236 9.3752 125.6214 56.3286 31.3471 175.7659 49 E 4.7099 8.4682 116.8350 53.8061 32.5084 176.8681 50 A 3.9075 8.4916 121.3871 54.8949 18.6498 177.3995 51 M 3.8366 8.1201 115.0662 55.4978 32.1837 174.1306 52 P 4.9379 0.0000 0.0000 63.0245 32.3559 175.4342 53 H 5.0369 8.4370 117.6300 54.9747 33.6854 172.2213 54 N 4.9326 8.3533 116.2711 51.9770 40.5527 173.3127 55 V 4.3899 7.9633 110.0588 60.1146 35.5878 174.9447 56 H 5.0991 8.2996 123.7650 55.1468 33.2102 171.7939 57 F 5.0626 9.1195 125.4622 55.5910 41.0224 176.4134 58 V 4.2512 8.5431 116.7184 60.6153 33.0166 175.5304 59 A 4.0569 8.5660 124.8873 54.3690 18.5875 176.8922 60 G 4.1632 8.5645 109.1013 45.9179 0.0000 175.6912 61 V 3.8814 7.5688 118.1921 65.7113 31.7088 176.8971 62 L 4.2100 7.7973 117.1618 53.8519 42.6272 176.4286 63 G 4.4359 6.9838 104.6948 45.7653 0.0000 173.0450 64 E 3.8812 8.9332 117.8377 59.1731 29.6763 177.5484 65 A 4.5659 7.6656 118.2083 50.5713 20.0271 177.2193 66 A 4.1408 8.6542 121.5344 52.6853 19.5266 177.4783 67 L 4.3454 9.0574 124.1578 53.5739 43.1139 175.4590 68 K 4.3808 8.4938 128.9645 54.7374 32.1012 176.2443 69 G 3.5791 8.6240 115.9325 44.8048 0.0000 170.2761 70 P 4.3500 0.0000 0.0000 62.8464 31.9750 175.8577 71 M 4.2579 8.3724 122.0528 55.7902 32.9578 175.6208 72 M 4.4681 9.4276 124.9738 54.3661 33.6974 176.7468 73 K 4.6908 9.4738 124.4387 55.2847 34.2508 176.3889 74 K 4.5211 8.3338 121.8609 57.5711 32.4569 176.0141 75 E 3.8761 9.6175 125.0726 57.6367 27.4694 173.6706 76 Q 5.1287 7.8315 116.4201 54.3047 32.0605 174.6319 77 A 5.1007 8.6429 122.2240 50.7516 23.3990 174.5049 78 Y 5.0443 8.7151 119.0992 56.6868 42.6994 173.7753 79 S 5.5589 8.4377 121.8918 56.8494 66.0426 173.3945 80 L 4.7657 9.2014 122.2674 53.2807 45.8053 175.5543 81 T 4.8951 8.6776 120.2603 62.0869 70.5675 173.5675 82 F 4.8531 9.1813 126.6664 55.9625 40.7694 176.6268 83 T 4.9149 8.4204 116.1736 60.6990 68.8990 173.8157 84 E 5.0220 8.4451 121.3790 56.6761 32.3643 175.7309 85 A 4.0948 8.8579 129.5750 52.8155 19.0815 175.0999 86 G 3.5586 8.0560 104.6291 44.0101 0.0000 172.5460 87 T 4.5674 7.6251 115.3522 61.6514 71.2250 173.7202 88 Y 5.0157 8.7496 124.0731 56.4484 40.7825 174.5102 89 D 5.3069 9.0980 124.8813 53.7637 42.4976 175.4401 90 Y 4.7654 8.4782 120.2779 55.6805 42.1147 173.2086 91 H 5.2711 8.5756 113.6228 54.5913 32.7951 171.8909 92 C 4.5630 8.7083 120.0202 59.0010 32.1013 173.7401 93 T 3.8795 9.3773 124.9999 66.6043 68.1759 173.3917 94 P 4.5383 0.0000 0.0000 63.7655 32.1645 176.3214 95 H 4.6154 7.6495 116.7850 53.4453 29.0239 172.0063 96 P 4.4085 0.0000 0.0000 63.9786 31.8099 177.9612 97 F 4.2760 7.7396 112.7631 59.1503 38.2606 174.8961 98 M 4.3699 7.3205 122.2316 54.3437 32.4158 175.5905 99 R 5.0135 8.7084 122.3868 54.5283 34.2196 175.1702 100 G 3.7565 7.4419 107.9268 44.9286 0.0000 170.9812 101 K 5.3982 8.8688 117.3613 55.4947 36.4614 175.3035 102 V 4.6190 9.4708 123.2896 61.4590 33.6033 174.5882 103 V 4.3024 9.0812 129.9981 61.4527 32.7021 174.3691 104 V 4.5070 8.5304 129.8301 61.7228 32.9009 175.7166 105 E 4.3776 9.0433 127.3534 56.4484 29.2763 175.9805 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 D 8.22 4.64 0.00 2.51 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 2 K 8.64 4.59 0.00 1.27 1.73 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.45 7.81 3 A 7.11 4.78 0.38 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 4 T 8.56 4.51 4.15 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 1.11 0.00 0.00 5 I 8.02 4.40 1.85 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 1.29 0.58 1.01 0.00 0.00 6 P 0.00 4.35 0.00 1.84 2.03 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 7 S 7.65 4.56 0.00 3.67 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 8 E 9.19 4.18 0.00 2.00 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 2.32 2.45 0.00 9 S 7.80 4.76 0.00 3.99 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 10 P 0.00 4.93 0.00 2.03 1.96 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 11 F 8.83 5.21 0.00 2.99 3.13 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 12 A 8.90 4.36 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 13 A 9.17 3.99 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 14 A 7.99 4.17 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 15 E 8.06 4.19 0.00 2.39 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 2.43 2.52 0.00 16 V 7.44 3.91 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 0.81 0.00 0.00 1.18 0.00 0.00 17 A 8.50 4.15 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 18 D 8.52 4.56 0.00 2.88 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 19 G 8.76 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 20 A 7.39 4.08 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 21 I 8.19 3.96 1.94 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 1.19 0.79 0.80 0.00 0.00 22 V 8.25 4.74 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 0.85 0.00 0.00 0.92 0.00 0.00 23 V 8.16 4.23 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 1.30 0.00 0.00 0.69 0.00 0.00 24 D 8.71 5.16 0.00 2.79 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 25 I 8.47 5.10 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.65 0.00 0.00 26 A 9.01 4.69 1.21 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 0.00 0.00 0.00 27 K 9.37 4.09 0.00 1.90 1.90 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 28 M 8.41 3.24 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 29 K 7.49 4.31 0.00 1.94 1.86 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 30 Y 8.24 4.75 0.00 3.16 3.08 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 31 E 9.29 4.17 0.00 1.92 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 2.56 2.43 0.00 32 T 7.39 4.69 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 1.24 0.00 0.00 33 P 0.00 4.40 0.00 2.14 2.39 0.00 3.69 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 2.12 2.03 0.00 34 E 8.27 4.77 0.00 1.98 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 2.22 2.27 0.00 35 L 8.57 4.60 0.00 1.87 1.53 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.88 5.10 0.00 3.05 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.71 4.49 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 0.65 0.00 0.00 0.83 0.00 0.00 38 K 8.97 4.74 0.00 1.71 1.72 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.38 7.81 39 V 8.38 3.70 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 0.81 0.00 0.00 1.05 0.00 0.00 40 G 9.34 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 41 D 7.93 4.49 0.00 2.76 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 42 T 8.44 4.88 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 1.23 0.00 0.00 43 V 9.15 4.03 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 -0.30 0.00 0.00 0.84 0.00 0.00 44 T 8.23 5.07 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 1.31 0.00 0.00 45 W 9.22 4.76 0.00 3.53 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 46 I 9.01 5.03 1.91 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 1.10 1.05 0.95 0.00 0.00 47 N 9.18 5.03 0.00 2.91 2.89 0.00 0.00 6.82 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.38 4.62 0.00 1.79 1.98 0.00 3.40 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 49 E 8.47 4.71 0.00 2.16 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 0.00 2.36 2.45 0.00 50 A 8.49 3.91 1.30 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 0.00 0.00 51 M 8.12 3.84 0.00 1.96 2.04 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 2.37 2.65 0.00 52 P 0.00 4.94 0.00 1.90 1.91 0.00 3.73 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 53 H 8.44 5.04 0.00 3.02 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.35 4.93 0.00 2.63 2.64 0.00 0.00 5.86 7.68 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 55 V 7.96 4.39 1.04 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 -0.77 0.00 0.00 0.47 0.00 0.00 56 H 8.30 5.10 0.00 2.92 2.78 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.12 5.06 0.00 3.13 3.06 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 58 V 8.54 4.25 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 0.91 0.00 0.00 0.99 0.00 0.00 59 A 8.57 4.06 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 60 G 8.56 4.16 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 0.00 0.00 0.00 61 V 7.57 3.88 2.48 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 1.28 0.00 0.00 1.14 0.00 0.00 62 L 7.80 4.21 0.00 1.52 1.31 -0.39 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 63 G 6.98 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 3.88 0.00 1.98 2.03 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 2.32 2.31 0.00 65 A 7.67 4.57 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 66 A 8.65 4.14 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 67 L 9.06 4.35 0.00 1.74 1.73 0.82 0.76 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 68 K 8.49 4.38 0.00 1.55 1.62 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.14 7.81 69 G 8.62 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 1.91 1.93 0.00 2.75 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.96 0.00 71 M 8.37 4.26 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 72 M 9.43 4.47 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 73 K 9.47 4.69 0.00 1.65 1.75 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.54 7.81 74 K 8.33 4.52 0.00 1.77 1.73 0.00 1.73 0.00 0.00 2.06 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.56 7.81 75 E 9.62 3.88 0.00 2.18 2.06 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 2.23 2.43 0.00 76 Q 7.83 5.13 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 77 A 8.64 5.10 0.55 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 0.00 0.00 78 Y 8.72 5.04 0.00 3.03 2.87 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 79 S 8.44 5.56 0.00 3.77 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 80 L 9.20 4.77 0.00 1.63 0.92 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.68 4.90 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 1.21 0.00 0.00 82 F 9.18 4.85 0.00 3.03 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 83 T 8.42 4.91 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 1.22 0.00 0.00 84 E 8.45 5.02 0.00 1.99 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 0.00 2.13 2.14 0.00 85 A 8.86 4.09 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 86 G 8.06 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 0.00 0.00 0.00 87 T 7.63 4.57 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 1.13 0.00 0.00 88 Y 8.75 5.02 0.00 3.22 3.24 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 89 D 9.10 5.31 0.00 2.62 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 90 Y 8.48 4.77 0.00 2.08 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 91 H 8.58 5.27 0.00 3.24 3.30 0.00 5.25 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.71 4.56 0.00 2.90 2.87 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 93 T 9.38 3.88 4.15 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 1.19 0.00 0.00 94 P 0.00 4.54 0.00 1.99 2.05 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.77 0.00 95 H 7.65 4.62 0.00 2.65 1.64 0.00 5.63 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 96 P 0.00 4.41 0.00 2.04 2.01 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 97 F 7.74 4.28 0.00 3.11 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 98 M 7.32 4.37 0.00 1.27 1.68 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.42 0.00 99 R 8.71 5.01 0.00 1.63 1.67 0.00 3.14 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 100 G 7.44 3.76 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 0.00 0.00 0.00 101 K 8.87 5.40 0.00 1.94 1.95 0.00 1.25 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 102 V 9.47 4.62 1.79 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 0.21 0.00 0.00 1.27 0.00 0.00 103 V 9.08 4.30 1.61 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 0.74 0.00 0.00 0.77 0.00 0.00 104 V 8.53 4.51 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 0.88 0.00 0.00 0.93 0.00 0.00 105 E 9.04 4.38 0.00 1.95 1.82 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 2.26 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.