NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5099 8.3344 116.7966 58.7358 64.1603 173.5807 -1 N 4.4484 8.3132 121.4493 51.8287 39.7548 172.9028 0 A 3.9420 9.4112 128.4139 53.2706 19.2675 178.3884 0 R 3.9620 9.4012 125.1139 56.7706 31.0675 176.8884 3 N 4.9143 8.1676 113.9539 52.5459 39.2742 174.0599 4 K 3.9980 8.0001 120.5509 56.1400 32.3323 176.3891 5 N 4.4546 8.4095 125.0212 52.9405 39.8604 173.7238 *7 S 4.1381 8.2334 114.4328 58.1358 63.0344 173.0654 8 T 4.2143 8.4452 124.8934 63.3753 68.8017 174.7017 9 I 4.0730 8.4743 127.8434 63.7634 37.8017 175.8530 10 Y 4.9383 7.5140 118.4108 56.2079 41.6253 173.3105 11 Q 4.2338 7.9102 126.1971 54.4100 32.2338 173.9259 12 T 4.5287 7.7805 117.1741 60.5080 70.9003 172.6497 13 S 4.9071 8.2947 120.0729 56.8379 67.2872 172.8242 14 A 5.1166 8.4607 122.7851 50.7485 22.5654 175.4553 15 T 4.6478 8.8884 116.7620 61.6019 71.7690 172.9579 16 A 5.1538 8.7131 127.5041 50.2701 21.9061 176.0455 17 S 4.5335 8.7747 118.0975 56.9679 64.5219 173.9940 18 A 4.6626 8.3509 128.9590 50.2086 21.0451 174.1986 19 G 3.6575 8.2766 101.5226 44.2801 0.0000 173.6232 20 R 3.7881 8.4877 117.7991 58.6445 30.2013 177.0841 21 N 4.9979 7.6715 114.4769 52.6145 38.9483 175.4133 22 G 3.9103 7.6839 104.9455 46.2177 0.0000 173.7757 23 V 5.1889 8.6832 112.2439 59.5610 36.4584 175.3459 24 V 5.0875 8.8256 122.3485 60.2692 35.1739 174.3472 25 S 5.2280 8.8619 116.6892 56.8916 66.7977 173.8861 26 T 4.5043 9.0607 112.7730 61.1369 69.5350 174.9567 27 E 3.8642 8.9677 124.9639 59.4125 29.5228 177.7061 28 D 4.6579 8.0933 114.3845 52.3498 39.7208 176.0650 29 K 3.9157 8.1439 116.7118 57.5793 30.2780 176.4879 30 L 4.0941 8.1811 120.5634 57.1862 41.8617 177.2974 31 L 4.6534 7.9317 120.9422 53.6083 45.3678 174.7191 32 E 5.1836 8.8702 125.2435 54.6710 32.7221 175.1881 33 L 4.9027 9.3039 123.6574 53.0421 46.1460 175.5842 34 N 5.0974 8.6607 118.4378 52.6465 40.1884 174.0625 35 L 5.1759 8.5825 121.1461 53.2051 45.5064 175.6902 36 S 4.6535 8.5923 115.0903 56.8553 66.6412 173.3098 37 Y 4.6263 8.2051 118.4176 57.0382 39.2210 174.0502 38 P 4.7474 0.0000 0.0000 62.3562 32.2565 177.4806 39 K 4.8453 8.5166 118.2672 59.3423 32.0454 179.3255 40 E 4.1372 8.0081 117.8644 56.3857 28.4475 177.6240 *42 G 3.7960 8.2185 105.2495 44.8656 0.0000 172.9821 43 G 4.4454 7.9019 109.7526 43.4601 0.0000 173.7957 44 S 4.3931 8.7345 111.6159 58.0540 63.6640 174.6221 45 G 4.2544 7.9151 109.2991 46.7870 0.0000 174.0065 46 T 4.3030 7.3426 108.3589 61.3943 69.7480 173.4697 47 A 4.6554 8.1642 123.1714 51.2238 22.6613 174.7200 48 T 4.6102 8.1250 110.3735 61.3055 69.9603 173.5992 49 N 5.1851 8.2082 118.4082 50.2603 40.4343 173.9110 50 P 4.4046 0.0000 0.0000 65.2635 31.1649 178.8996 51 E 4.1655 8.3043 117.6140 59.3024 29.3360 178.9056 52 Q 4.0619 8.6767 118.2521 59.0384 28.7291 178.8554 53 L 4.0833 8.0552 120.0358 57.7401 41.5621 179.3574 54 F 4.4303 8.5764 120.4567 61.2567 39.3485 177.0533 55 A 3.9610 8.5713 120.8095 55.2316 18.2601 179.8263 56 V 3.6231 8.0531 116.9420 65.9881 31.5163 178.5325 57 G 3.6983 8.3069 107.0516 47.4218 0.0000 175.1583 58 Y 3.2753 7.8868 122.3597 59.8328 38.7049 177.5516 59 A 3.8970 8.0204 121.5826 55.2058 18.4814 179.5038 60 A 3.8792 7.9205 119.0600 55.3584 18.4652 179.3298 61 C 3.9456 8.0216 117.4313 62.6338 31.6056 175.6632 62 F 4.2149 8.5759 122.5689 61.2277 38.9937 176.8073 63 S 4.0040 8.2718 112.9392 61.6282 62.0797 175.8198 64 N 4.2678 8.3384 119.3172 56.4798 38.5960 176.6546 65 A 3.9571 7.9666 122.2775 55.1003 18.3672 179.6321 66 I 3.4507 7.4100 118.1817 64.5893 37.1673 178.6879 67 L 3.9296 7.8996 119.6838 57.8651 41.3614 179.1897 68 H 4.1140 8.5552 118.6499 59.4008 29.8273 177.6350 69 V 3.5097 8.0056 119.9535 65.7585 31.2276 177.7996 70 A 3.9351 8.2893 121.0548 54.9134 18.1500 179.6543 71 R 3.7810 8.1185 117.3223 59.7470 30.0135 178.6879 72 E 3.9554 7.9383 116.8034 58.8964 29.5187 178.2827 73 A 4.3010 8.0134 118.0083 50.9733 19.2811 176.9404 74 K 3.7069 7.6719 115.8673 57.2006 30.3752 175.4662 75 V 3.9855 7.8927 117.9837 61.1395 32.3756 174.9239 76 A 4.2072 8.5389 130.8188 51.7828 18.4613 176.2644 77 L 4.8196 8.1848 122.5417 53.1264 44.6597 177.3907 78 K 4.1276 8.7162 122.3829 58.7217 32.4862 176.5162 79 E 4.7404 7.4142 113.3577 55.9992 31.3346 176.0391 80 A 4.6646 8.1391 120.6129 49.5018 19.2389 172.6653 81 P 4.3744 0.0000 0.0000 62.2317 32.9686 175.4981 82 V 4.8363 8.3343 123.6067 61.4335 34.5809 174.3478 83 T 4.5680 8.9710 124.7320 61.9592 70.4005 173.2104 84 A 4.8708 8.5326 128.6393 50.5656 20.9101 175.7752 85 T 4.5212 8.7980 120.2719 61.7828 70.9094 173.6866 86 V 4.9129 8.6144 126.4354 61.0089 34.0259 174.7537 87 G 4.3937 9.1732 114.5522 44.4283 0.0000 171.5832 88 I 5.2163 8.1086 120.4057 59.2695 41.2741 174.3147 89 G 4.3709 8.6317 114.0610 44.8002 0.0000 170.7404 90 P 4.5474 0.0000 0.0000 62.6651 31.7619 176.1219 91 N 4.5570 8.5630 117.0101 52.4763 37.7648 176.2134 92 G 3.9156 8.2212 107.3302 45.8199 0.0000 173.9968 93 Q 4.3920 8.4106 116.7029 55.4479 29.5106 176.3818 94 G 3.9201 8.4684 106.2392 44.9616 0.0000 173.5123 95 G 4.2795 7.6836 108.9668 43.5780 0.0000 171.9209 96 F 5.1011 8.5220 116.1359 55.5861 42.9161 174.0323 97 A 4.8509 8.8363 123.4558 50.4046 22.6922 175.2345 98 L 5.1508 8.5274 119.5887 53.5115 43.7610 176.2101 99 S 4.9634 9.0674 116.4653 56.7337 66.3480 173.1555 100 V 5.0210 8.2814 120.2997 61.4424 35.1038 173.2728 101 A 5.0623 9.1400 129.1755 50.0014 22.3549 174.8530 102 L 4.7518 8.7268 121.1133 52.7451 44.7960 175.5180 103 A 5.1584 9.1547 126.5929 49.3007 21.1045 174.7618 104 A 4.7930 8.9032 124.7255 51.9334 21.1239 176.0176 105 H 5.3287 9.2010 118.9221 53.9439 30.7656 172.8087 106 I 4.6319 8.8307 115.7043 58.1717 40.8575 176.1866 107 A 4.4424 7.9321 126.6114 49.4618 17.4045 176.7714 108 L 4.3764 6.9451 120.2601 53.6153 45.6200 173.1123 109 E 4.6844 7.8779 121.4925 55.2560 33.5428 174.3666 110 D 4.4289 8.5424 116.3014 55.0927 39.7695 174.3916 111 E 4.0515 8.6616 116.9801 60.3186 29.3156 179.1417 112 Q 3.9449 8.0511 117.7177 58.9319 28.8393 178.3459 113 A 3.9658 7.9551 121.7219 55.1215 18.3479 179.5935 114 R 3.8468 8.0561 117.1844 59.7557 30.1352 178.8302 115 Q 4.0091 8.3950 118.2716 58.7955 28.7019 178.5290 116 L 3.9197 7.9981 121.5100 58.1837 42.2086 179.1926 117 V 3.5901 8.2134 118.5970 65.9409 31.2051 178.1154 118 T 3.9686 8.1336 115.5092 66.5524 68.7085 176.3491 119 V 3.7359 8.0352 119.9201 66.0112 31.5502 177.8343 120 A 3.9768 8.0726 120.5064 55.5657 17.9117 179.0742 121 H 4.6756 8.3295 115.5799 59.2621 30.0183 177.1440 122 Q 4.1838 7.8932 119.0403 58.2939 28.6770 177.9153 123 V 4.0627 7.6917 111.7319 61.8663 32.7880 176.3898 124 C 4.1958 8.0037 119.9853 58.9710 32.0301 172.7018 125 P 4.3733 0.0000 0.0000 66.2476 30.7839 178.3313 126 Y 3.8575 8.1983 116.1180 60.8953 37.2154 178.4959 127 S 4.6856 8.0716 116.9799 61.3357 62.8735 176.3348 128 N 4.4375 8.2239 117.9049 56.1627 38.3005 177.0238 129 A 4.1286 8.0958 121.7720 54.4147 18.7917 179.0670 130 V 4.1899 7.5595 107.9772 59.8572 32.3282 175.9362 131 R 4.0980 7.1573 119.9114 57.9660 30.2745 177.3738 132 G 4.0980 8.9720 113.3993 45.9257 0.0000 174.2797 133 N 4.5658 7.8850 116.1073 55.1085 39.2050 175.3046 134 I 4.3735 7.5651 117.5357 59.6216 38.7302 175.8746 135 D 4.5818 8.3987 125.1817 52.7772 39.7744 174.2568 136 V 3.9089 8.0174 124.3456 62.5299 32.5704 175.3321 137 Q 4.2782 9.0673 128.4910 55.2752 29.1944 174.6054 138 V 4.7052 8.0986 124.8384 61.1857 33.6189 174.6478 139 S 5.1403 9.1854 121.6299 56.5742 67.1613 172.8878 140 V 4.4379 8.6782 121.2018 61.5169 34.2094 175.3355 141 N 4.2187 10.1605 126.7826 54.4584 36.4165 175.6719 142 G 4.0024 8.6444 105.9380 45.1762 0.0000 173.9576 143 L 4.6699 7.5485 119.7362 52.1251 43.9514 175.8283 144 A 4.3015 8.5597 124.8333 52.7472 18.8281 177.3718 145 L 4.1702 8.4608 122.0311 55.3411 42.0899 176.6391 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 S 8.33 4.51 0.00 3.88 3.87 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 -1 N 8.31 4.45 0.00 2.71 2.69 0.00 0.00 6.97 7.08 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 A 9.41 3.94 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 0 R 9.40 3.96 0.00 1.67 1.67 0.00 2.21 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 3 N 8.17 4.91 0.00 2.65 2.77 0.00 0.00 6.94 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 4 K 8.00 4.00 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 5 N 8.41 4.45 0.00 2.71 2.71 0.00 0.00 7.14 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 S 8.23 4.14 0.00 3.90 3.82 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 8 T 8.45 4.21 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 1.23 0.00 0.00 9 I 8.47 4.07 1.95 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 1.33 0.51 0.96 0.00 0.00 10 Y 7.51 4.94 0.00 2.80 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 11 Q 7.91 4.23 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 12 T 7.78 4.53 3.66 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 1.12 0.00 0.00 13 S 8.29 4.91 0.00 3.72 3.65 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 14 A 8.46 5.12 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 15 T 8.89 4.65 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 1.20 0.00 0.00 16 A 8.71 5.15 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 17 S 8.77 4.53 0.00 3.75 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 18 A 8.35 4.66 1.19 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 0.00 0.00 0.00 19 G 8.28 3.66 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 0.00 0.00 0.00 20 R 8.49 3.79 0.00 1.82 2.01 0.00 3.28 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 21 N 7.67 5.00 0.00 2.53 2.75 0.00 0.00 6.87 7.65 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 22 G 7.68 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 0.00 0.00 0.00 23 V 8.68 5.19 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 0.73 0.00 0.00 0.91 0.00 0.00 24 V 8.83 5.09 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 0.78 0.00 0.00 0.97 0.00 0.00 25 S 8.86 5.23 0.00 3.88 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 26 T 9.06 4.50 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 1.24 0.00 0.00 27 E 8.97 3.86 0.00 2.06 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 0.00 2.33 2.27 0.00 28 D 8.09 4.66 0.00 2.82 2.77 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 29 K 8.14 3.92 0.00 1.93 1.92 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 30 L 8.18 4.09 0.00 1.68 1.76 1.04 0.62 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 31 L 7.93 4.65 0.00 1.70 1.49 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.87 5.18 0.00 1.84 1.80 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 2.20 2.31 0.00 33 L 9.30 4.90 0.00 1.48 1.49 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.66 5.10 0.00 2.63 2.69 0.00 0.00 6.74 6.74 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 35 L 8.58 5.18 0.00 1.45 1.41 0.92 0.65 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 36 S 8.59 4.65 0.00 3.79 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 37 Y 8.21 4.63 0.00 2.94 2.77 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 38 P 0.00 4.75 0.00 2.39 2.21 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 39 K 8.52 4.85 0.00 1.78 1.94 0.00 1.81 0.00 0.00 2.37 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.45 7.81 40 E 8.01 4.14 0.00 1.94 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 2.33 2.38 0.00 *42 G 8.22 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 43 G 7.90 4.45 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 0.00 0.00 0.00 44 S 8.73 4.39 0.00 4.02 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 45 G 7.92 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 0.00 0.00 0.00 0.00 46 T 7.34 4.30 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 47 A 8.16 4.66 1.19 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 0.00 0.00 0.00 48 T 8.12 4.61 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 1.29 0.00 0.00 49 N 8.21 5.19 0.00 2.87 3.05 0.00 0.00 5.97 7.76 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 50 P 0.00 4.40 0.00 2.18 2.15 0.00 3.61 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 2.11 2.17 0.00 51 E 8.30 4.17 0.00 2.27 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 2.44 2.50 0.00 52 Q 8.68 4.06 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 53 L 8.06 4.08 0.00 1.96 1.83 0.96 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 54 F 8.58 4.43 0.00 3.31 3.37 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 55 A 8.57 3.96 1.44 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 56 V 8.05 3.62 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 1.01 0.00 0.00 0.95 0.00 0.00 57 G 8.31 3.70 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 0.00 0.00 0.00 58 Y 7.89 3.28 0.00 2.49 2.49 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 59 A 8.02 3.90 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 60 A 7.92 3.88 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 61 C 8.02 3.95 0.00 2.60 2.61 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 62 F 8.58 4.21 0.00 3.16 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 63 S 8.27 4.00 0.00 3.98 4.04 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 64 N 8.34 4.27 0.00 2.97 2.90 0.00 0.00 7.15 8.11 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 65 A 7.97 3.96 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 66 I 7.41 3.45 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.12 0.81 0.00 0.00 67 L 7.90 3.93 0.00 1.80 1.69 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.56 4.11 0.00 3.21 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.01 3.51 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 0.99 0.00 0.00 0.93 0.00 0.00 70 A 8.29 3.94 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 71 R 8.12 3.78 0.00 2.10 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 72 E 7.94 3.96 0.00 2.06 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 2.21 2.36 0.00 73 A 8.01 4.30 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 74 K 7.67 3.71 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 75 V 7.89 3.99 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 0.73 0.00 0.00 0.91 0.00 0.00 76 A 8.54 4.21 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 77 L 8.18 4.82 0.00 1.55 1.53 0.90 0.94 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 78 K 8.72 4.13 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 79 E 7.41 4.74 0.00 2.00 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 2.05 2.17 0.00 80 A 8.14 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.37 0.00 2.17 2.03 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 82 V 8.33 4.84 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 1.11 0.00 0.00 83 T 8.97 4.57 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 1.21 0.00 0.00 84 A 8.53 4.87 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 85 T 8.80 4.52 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 86 V 8.61 4.91 2.22 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 1.02 0.00 0.00 1.15 0.00 0.00 87 G 9.17 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.11 5.22 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.91 0.00 0.00 89 G 8.63 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 0.00 0.00 0.00 0.00 90 P 0.00 4.55 0.00 2.06 1.90 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 91 N 8.56 4.56 0.00 2.77 2.91 0.00 0.00 7.05 7.75 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 92 G 8.22 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 93 Q 8.41 4.39 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 94 G 8.47 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 95 G 7.68 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 0.00 0.00 0.00 0.00 96 F 8.52 5.10 0.00 3.00 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 A 8.84 4.85 1.20 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 0.00 0.00 98 L 8.53 5.15 0.00 1.52 1.64 0.40 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.07 4.96 0.00 3.86 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 0.00 100 V 8.28 5.02 2.22 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 0.96 0.00 0.00 1.32 0.00 0.00 101 A 9.14 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.73 4.75 0.00 0.91 0.91 -0.75 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.15 5.16 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 0.00 104 A 8.90 4.79 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 0.00 105 H 9.20 5.33 0.00 2.96 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.83 4.63 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 1.15 0.65 0.89 0.00 0.00 107 A 7.93 4.44 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 0.00 108 L 6.95 4.38 0.00 1.53 1.47 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.88 4.68 0.00 2.12 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 2.24 2.30 0.00 110 D 8.54 4.43 0.00 2.86 2.68 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 0.00 111 E 8.66 4.05 0.00 1.97 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 2.40 2.35 0.00 112 Q 8.05 3.94 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 113 A 7.96 3.97 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 0.00 114 R 8.06 3.85 0.00 1.91 2.09 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 115 Q 8.40 4.01 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 116 L 8.00 3.92 0.00 1.81 1.76 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.21 3.59 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 1.07 0.00 0.00 0.93 0.00 0.00 118 T 8.13 3.97 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 1.26 0.00 0.00 119 V 8.04 3.74 2.22 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 1.02 0.00 0.00 0.96 0.00 0.00 120 A 8.07 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.33 4.68 0.00 3.54 3.67 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.89 4.18 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 123 V 7.69 4.06 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 0.82 0.00 0.00 1.05 0.00 0.00 124 C 8.00 4.20 0.00 3.25 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 0.00 125 P 0.00 4.37 0.00 2.40 2.36 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 126 Y 8.20 3.86 0.00 2.41 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 0.00 0.00 0.00 127 S 8.07 4.69 0.00 4.23 4.02 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 0.00 128 N 8.22 4.44 0.00 2.87 2.90 0.00 0.00 7.04 6.68 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 0.00 129 A 8.10 4.13 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 0.00 130 V 7.56 4.19 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 0.99 0.00 0.00 1.18 0.00 0.00 131 R 7.16 4.10 0.00 2.10 1.84 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 132 G 8.97 4.10 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 0.00 0.00 0.00 133 N 7.89 4.57 0.00 2.83 2.88 0.00 0.00 6.89 7.89 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 0.00 134 I 7.57 4.37 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 1.02 0.00 0.00 135 D 8.40 4.58 0.00 2.63 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 0.00 136 V 8.02 3.91 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 0.61 0.00 0.00 1.14 0.00 0.00 137 Q 9.07 4.28 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 138 V 8.10 4.71 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 0.99 0.00 0.00 0.55 0.00 0.00 139 S 9.19 5.14 0.00 3.90 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 0.00 140 V 8.68 4.44 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 0.97 0.00 0.00 0.96 0.00 0.00 141 N 10.16 4.22 0.00 2.87 2.89 0.00 0.00 7.21 7.43 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 0.00 142 G 8.64 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 0.00 0.00 0.00 143 L 7.55 4.67 0.00 1.81 1.55 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.56 4.30 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 0.00 145 L 8.46 4.17 0.00 1.70 1.56 1.01 0.81 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 * Residues marked with a * may have inaccurate shift predictions.