NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6468 8.2893 120.3307 55.5140 34.2340 173.9417 2 S 4.0939 8.1815 120.2647 57.9546 65.7177 170.9732 3 N 4.5178 9.0506 120.3327 52.9078 38.8371 174.8374 4 T 4.4629 8.2080 115.0015 61.5296 68.6253 174.0796 5 L 4.9102 8.4228 122.5142 54.6887 44.0205 176.4852 6 F 5.0020 8.0672 119.8043 57.0777 43.4072 173.0311 7 D 4.6733 7.2120 124.3827 53.4388 44.4618 173.9155 8 D 4.3602 8.3838 121.1188 53.6698 45.7802 174.1218 9 I 5.1698 7.8673 122.5450 59.6778 40.5895 174.6386 10 F 5.1898 9.6768 123.2658 55.7447 43.8725 173.4558 11 Q 5.2268 9.1431 120.6166 53.0282 32.3000 174.6796 12 V 3.8810 8.6198 126.2193 63.7087 32.3639 175.2667 13 S 4.6660 9.2282 124.4631 59.3914 62.6799 173.4936 14 E 4.6974 7.6516 118.5303 54.9719 33.3968 173.4593 15 V 4.3667 8.3887 126.2692 61.8221 33.3227 174.6490 16 D 4.7556 9.1443 127.7291 52.0504 43.1253 172.4675 17 P 5.0354 0.0000 0.0000 61.0425 30.0324 176.5009 18 G 3.6752 7.8525 120.3212 45.8274 0.0000 172.5880 19 R 3.8452 7.7036 120.3615 57.4559 29.8547 176.8108 20 Y 4.4944 7.1356 115.8308 57.6026 38.0849 175.3187 21 N 4.5715 8.9718 123.3212 56.1676 39.4028 176.9236 22 K 4.2134 8.0911 116.9878 58.0486 32.6976 176.6447 23 V 4.9541 7.6992 117.1425 61.1696 34.4301 174.6250 24 C 5.1899 9.0594 123.7733 57.9572 32.4692 172.8500 25 R 4.8561 8.6177 122.2765 55.5823 31.6265 175.2394 26 I 5.1322 8.8623 126.0232 58.5779 41.3206 174.4409 27 E 5.0047 8.8224 125.3359 55.5482 31.8895 174.9046 28 A 5.2825 9.3582 122.8231 50.6186 23.2534 175.0299 29 A 5.1549 9.0256 121.3506 50.1708 22.4614 175.7692 30 S 4.4139 8.1812 115.0014 57.8967 63.3918 174.4470 31 T 4.3006 7.7727 118.9755 64.3084 68.9651 176.0652 32 T 4.2548 7.6678 118.1842 64.9329 69.3571 175.0067 33 Q 4.7051 7.4856 116.7549 54.0471 32.5249 175.2221 34 D 4.5861 8.5956 119.0377 56.5486 41.4207 178.2318 35 Q 4.0674 8.0604 117.7053 58.5124 28.8586 175.7996 36 C 4.9629 7.9166 119.1544 58.0697 32.9714 172.6480 37 K 4.9430 8.7160 125.0480 54.4888 35.7003 174.8060 38 L 4.9984 9.2959 126.5750 53.5840 45.4278 175.3307 39 T 4.9518 8.6497 121.1798 62.0138 72.7666 172.6646 40 L 5.1580 9.1611 128.3628 53.3966 46.1536 174.6485 41 D 5.1421 8.8732 126.1459 53.9350 41.6611 175.8940 42 I 4.5291 8.9632 124.7854 59.0915 40.8170 174.7279 43 N 4.7531 9.2610 125.6246 53.5240 38.6829 175.6928 44 V 4.1886 8.2518 126.2745 64.7917 32.0806 176.6859 45 E 4.0910 8.4672 119.6400 58.8859 29.4918 177.4049 46 L 4.3220 8.5043 117.1461 55.8129 42.5864 176.2258 47 F 4.7301 8.0791 120.6248 55.6533 40.5379 171.4294 48 P 4.4453 0.0000 0.0000 61.9427 31.9014 176.4325 49 V 4.1057 8.1208 121.1954 60.8838 33.9345 174.6337 50 A 4.6057 7.8817 127.9537 49.6716 21.3404 175.8829 51 A 3.8996 8.3410 122.5828 53.4102 18.6232 176.0824 52 Q 3.5412 8.2409 123.6538 56.2695 26.2160 172.5737 53 D 4.9726 7.9373 120.4577 52.2255 46.0789 174.8632 54 S 4.7959 8.7629 116.6417 58.2071 63.8328 173.3262 55 L 4.8673 8.7496 124.7389 53.0826 45.3643 175.9654 56 T 4.9546 8.6915 120.6810 62.2745 69.8424 173.6941 57 V 4.6426 8.8756 128.0271 62.3304 33.2293 175.0258 58 T 4.6994 8.7473 123.4344 61.7734 72.2088 172.9469 59 I 4.4592 9.4250 126.6171 57.4233 37.0850 178.5854 60 A 3.9258 8.4650 127.5846 52.2164 18.3419 178.5190 61 S 5.1637 8.4831 108.2183 58.6886 64.4415 173.3675 62 S 4.7386 7.6090 115.1772 57.8033 66.9914 174.3342 63 L 4.1310 8.4832 126.4450 54.6797 39.3156 178.9623 64 N 3.8653 9.4048 124.5983 56.4240 39.5713 172.9631 *75 A 4.1741 7.5648 118.3115 52.5641 18.9835 176.0079 76 T 4.2860 7.7781 114.1017 62.1854 69.4769 175.3786 77 R 4.1376 7.9043 122.0804 54.9741 29.4703 176.0381 78 S 4.2838 8.3764 114.1972 57.8026 63.5935 173.9763 79 W 4.2170 8.7575 134.3886 57.3059 30.9956 175.6291 80 R 3.8303 7.6905 124.9511 54.6789 30.4677 175.5841 81 P 3.7734 0.0000 0.0000 60.9792 32.6542 173.6925 82 P 3.8959 0.0000 0.0000 64.1186 29.9764 178.0128 83 Q 3.5132 9.0676 119.7617 57.2154 30.4400 173.6011 84 A 4.3511 8.8093 121.6326 51.4189 16.4021 177.2366 85 G 3.7034 7.8031 111.4855 47.5153 0.0000 172.2104 86 D 4.7486 7.6152 117.2620 52.7812 41.2839 173.8161 87 R 4.7251 7.4007 118.9550 53.4783 34.4703 176.0031 88 S 4.1041 8.5866 115.1803 58.4961 63.1613 173.9898 89 L 4.4285 8.2262 124.4460 54.0063 42.0036 176.8485 90 A 4.4972 8.3377 131.2044 50.4031 17.1489 177.2539 91 D 4.9307 7.4224 121.8598 51.6940 39.8242 177.8328 92 D 4.8172 8.6265 114.9514 56.1864 40.3404 175.8791 93 Y 4.6781 8.1092 116.8844 56.5709 40.4107 175.4521 94 D 4.7342 8.5328 119.3288 55.1491 42.2173 176.2523 95 Y 4.3521 8.8097 120.8783 55.5911 41.9963 174.0288 96 V 5.0343 8.2158 125.5953 61.5938 34.6461 174.0534 97 M 5.0404 9.3275 126.1805 54.0562 36.9659 173.2999 98 Y 5.0752 8.3380 119.7707 56.7374 41.7753 174.7094 99 G 3.8905 7.6046 112.4817 46.5707 0.0000 172.4541 100 T 4.5551 8.6884 117.8895 61.7113 72.7116 173.0409 101 A 4.0393 8.1923 128.7312 51.7140 19.6060 175.9016 102 Y 4.6603 8.0107 120.0420 57.9600 39.7448 176.0798 103 K 4.7748 7.3351 120.8416 53.8424 36.0895 174.3716 104 F 4.9330 9.0686 124.6998 55.8075 40.9413 174.3461 105 E 4.6584 9.0247 125.1007 54.2887 32.8479 174.3878 106 E 4.7333 8.9091 127.8928 55.1017 29.9930 175.3580 107 V 4.0107 8.2838 120.6187 60.4620 31.1283 175.0429 108 S 3.8963 8.7526 124.6443 57.8012 64.0969 175.5165 109 K 3.8491 9.3189 122.5410 57.4674 30.7565 176.2695 110 D 4.6252 8.9899 118.0205 54.0422 42.1645 175.7432 111 L 4.3508 8.0747 121.0830 55.3075 42.8537 175.8170 112 I 4.8074 8.5102 125.8306 59.5613 39.3141 174.8719 113 A 5.1153 9.0711 128.6506 49.2400 22.0592 175.4260 114 V 4.0836 7.6323 113.4852 59.3449 35.3223 174.1990 115 Y 4.7825 7.5776 121.4892 56.4347 40.2454 174.5684 116 Y 4.6571 8.9025 122.4051 56.2134 41.5299 175.1023 117 S 4.7906 8.7623 116.0992 56.5284 65.7208 174.3715 118 F 4.8880 9.2867 128.6133 57.3961 39.2778 174.3931 119 G 3.5854 7.8705 114.3163 45.8239 0.0000 172.5029 120 G 4.2386 8.7569 114.2224 45.1137 0.0000 171.6785 121 L 4.6102 7.5909 119.0246 53.1594 43.3343 175.3676 122 L 5.4677 9.1318 122.3379 53.3399 45.9666 175.0426 123 M 5.3519 8.9407 119.3099 54.1557 36.3317 173.5375 124 R 4.8189 9.3908 125.8727 54.3898 33.1706 173.7244 125 L 5.0879 8.2027 127.7273 53.2227 45.5793 174.5223 126 E 4.6805 9.0664 122.8746 54.4231 33.7517 173.6726 127 G 4.0338 6.5203 108.5691 44.5222 0.0000 169.6754 128 N 4.4328 8.2265 123.3220 51.5089 40.9184 176.0177 129 Y 3.9263 8.1669 109.7284 58.3087 38.9790 171.0744 130 R 4.5640 7.6790 120.6416 56.1885 30.2384 178.2305 131 N 4.5540 8.2128 116.8013 55.6357 39.1313 176.6503 132 L 4.7809 7.9255 114.2442 54.5357 42.9059 176.5000 133 N 4.6608 8.0820 115.9363 55.1221 39.5746 174.8081 134 N 4.6331 7.5988 117.4152 53.0241 39.2799 174.7788 135 L 4.4138 8.4539 125.7755 54.4529 42.7073 176.8432 136 K 4.2907 8.3188 119.8087 56.6239 32.1744 177.0709 137 Q 4.3536 7.6243 118.7613 54.8131 29.7279 175.6582 138 E 3.9067 8.5872 119.5034 59.0876 29.7674 175.8720 139 N 4.3934 8.1407 115.2563 53.9691 38.2745 174.6625 140 A 4.5009 7.8772 126.6223 51.4054 21.5952 174.5868 141 Y 5.1178 8.8353 119.4681 57.5816 40.9675 174.9242 142 L 5.0605 9.0642 122.4522 53.4780 46.0079 175.1290 143 L 5.1632 8.9836 125.1915 53.1085 45.5714 175.5334 144 I 5.8559 9.4450 124.2478 58.3766 41.2843 174.6589 145 R 4.9741 8.4725 121.0348 55.1872 32.8951 175.6290 146 R 4.3388 8.3682 117.6858 56.9778 30.6355 176.4134 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 M 8.29 4.65 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 2 S 8.18 4.09 0.00 4.02 3.57 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 3 N 9.05 4.52 0.00 2.95 2.95 0.00 0.00 6.66 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 4 T 8.21 4.46 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 1.31 0.00 0.00 5 L 8.42 4.91 0.00 1.66 1.79 1.03 0.86 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 6 F 8.07 5.00 0.00 3.27 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 7 D 7.21 4.67 0.00 2.39 2.41 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 8 D 8.38 4.36 0.00 2.22 2.47 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 9 I 7.87 5.17 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.99 0.00 0.00 10 F 9.68 5.19 0.00 2.97 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 11 Q 9.14 5.23 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 12 V 8.62 3.88 2.23 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 0.98 0.00 0.00 1.07 0.00 0.00 13 S 9.23 4.67 0.00 3.87 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 14 E 7.65 4.70 0.00 1.97 1.73 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 2.28 2.26 0.00 15 V 8.39 4.37 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 0.82 0.00 0.00 0.98 0.00 0.00 16 D 9.14 4.76 0.00 2.80 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 17 P 0.00 5.04 0.00 2.10 2.07 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 18 G 7.85 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 0.00 0.00 0.00 19 R 7.70 3.85 0.00 1.48 1.90 0.00 3.29 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 20 Y 7.14 4.49 0.00 3.14 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 21 N 8.97 4.57 0.00 2.76 2.90 0.00 0.00 7.22 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 22 K 8.09 4.21 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.45 7.81 23 V 7.70 4.95 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 0.88 0.00 0.00 0.97 0.00 0.00 24 C 9.06 5.19 0.00 2.91 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 25 R 8.62 4.86 0.00 2.07 1.83 0.00 3.08 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 26 I 8.86 5.13 1.85 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 1.25 1.18 0.90 0.00 0.00 27 E 8.82 5.00 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 2.35 2.31 0.00 28 A 9.36 5.28 1.16 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 29 A 9.03 5.15 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 30 S 8.18 4.41 0.00 3.49 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 31 T 7.77 4.30 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 1.18 0.00 0.00 32 T 7.67 4.25 4.17 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 1.13 0.00 0.00 33 Q 7.49 4.71 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 34 D 8.60 4.59 0.00 2.66 2.74 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 35 Q 8.06 4.07 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 C 7.92 4.96 0.00 3.13 2.90 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 37 K 8.72 4.94 0.00 1.91 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 L 9.30 5.00 0.00 1.30 1.35 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.65 4.95 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 40 L 9.16 5.16 0.00 1.56 1.32 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.87 5.14 0.00 2.75 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 42 I 8.96 4.53 1.88 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 0.80 0.61 0.99 0.00 0.00 43 N 9.26 4.75 0.00 2.86 2.89 0.00 0.00 6.56 7.00 0.00 0.00 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 V 8.25 4.19 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 1.12 0.00 0.00 1.02 0.00 0.00 45 E 8.47 4.09 0.00 2.00 2.19 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 2.32 2.38 0.00 46 L 8.50 4.32 0.00 1.67 1.69 0.86 0.99 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 47 F 8.08 4.73 0.00 3.01 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 48 P 0.00 4.45 0.00 1.92 1.88 0.00 3.34 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 49 V 8.12 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 0.84 0.00 0.00 1.02 0.00 0.00 50 A 7.88 4.61 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 51 A 8.34 3.90 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 52 Q 8.24 3.54 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 53 D 7.94 4.97 0.00 2.58 2.54 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 0.00 0.00 0.00 0.00 54 S 8.76 4.80 0.00 3.92 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 55 L 8.75 4.87 0.00 1.74 1.66 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.69 4.95 4.42 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 1.33 0.00 0.00 57 V 8.88 4.64 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 0.93 0.00 0.00 0.85 0.00 0.00 58 T 8.75 4.70 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 1.31 0.00 0.00 59 I 9.43 4.46 1.96 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 1.01 1.53 0.94 0.00 0.00 60 A 8.46 3.93 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 61 S 8.48 5.16 0.00 4.12 4.05 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 0.00 0.00 0.00 62 S 7.61 4.74 0.00 3.99 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 63 L 8.48 4.13 0.00 1.62 0.99 0.90 0.93 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 64 N 9.40 3.87 0.00 2.76 2.86 0.00 0.00 6.78 7.96 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 *75 A 7.56 4.17 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 76 T 7.78 4.29 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 1.27 0.00 0.00 77 R 7.90 4.14 0.00 2.00 1.99 0.00 3.39 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 78 S 8.38 4.28 0.00 4.03 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 79 W 8.76 4.22 0.00 3.21 3.20 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 80 R 7.69 3.83 0.00 1.46 1.50 0.00 3.14 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 81 P 0.00 3.77 0.00 1.86 1.92 0.00 3.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 82 P 0.00 3.90 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 83 Q 9.07 3.51 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.62 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 84 A 8.81 4.35 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 85 G 7.80 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 86 D 7.62 4.75 0.00 2.55 2.51 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 0.00 0.00 0.00 0.00 87 R 7.40 4.73 0.00 1.75 1.73 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 88 S 8.59 4.10 0.00 3.96 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 89 L 8.23 4.43 0.00 2.04 1.66 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.50 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 91 D 7.42 4.93 0.00 2.92 2.84 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 92 D 8.63 4.82 0.00 2.58 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 93 Y 8.11 4.68 0.00 2.83 3.01 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 94 D 8.53 4.73 0.00 2.48 2.58 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 95 Y 8.81 4.35 0.00 2.41 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 96 V 8.22 5.03 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 0.97 0.00 0.00 0.94 0.00 0.00 97 M 9.33 5.04 0.00 1.39 1.51 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 98 Y 8.34 5.08 0.00 2.70 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 99 G 7.60 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 0.00 0.00 0.00 100 T 8.69 4.56 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 1.15 0.00 0.00 101 A 8.19 4.04 0.31 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 0.00 102 Y 8.01 4.66 0.00 2.88 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 0.00 103 K 7.34 4.77 0.00 1.89 1.65 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 104 F 9.07 4.93 0.00 2.78 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 0.00 105 E 9.02 4.66 0.00 2.19 1.89 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 2.24 2.27 0.00 106 E 8.91 4.73 0.00 2.03 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 2.21 2.32 0.00 107 V 8.28 4.01 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 0.75 0.00 0.00 0.92 0.00 0.00 108 S 8.75 3.90 0.00 4.06 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 0.00 109 K 9.32 3.85 0.00 1.87 1.61 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.99 4.63 0.00 2.72 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 0.00 111 L 8.07 4.35 0.00 1.82 1.64 0.93 0.57 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 0.00 112 I 8.51 4.81 1.81 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 1.17 1.11 0.91 0.00 0.00 113 A 9.07 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.63 4.08 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 -0.27 0.00 0.00 0.72 0.00 0.00 115 Y 7.58 4.78 0.00 1.78 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 0.00 0.00 0.00 116 Y 8.90 4.66 0.00 2.62 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 0.00 0.00 0.00 117 S 8.76 4.79 0.00 3.87 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 0.00 118 F 9.29 4.89 0.00 3.03 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 0.00 119 G 7.87 3.59 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 0.00 0.00 0.00 120 G 8.76 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 0.00 0.00 0.00 0.00 121 L 7.59 4.61 0.00 1.95 1.72 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.13 5.47 0.00 1.76 1.67 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.94 5.35 0.00 2.20 2.05 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 2.40 2.44 0.00 124 R 9.39 4.82 0.00 1.87 1.68 0.00 3.23 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.00 125 L 8.20 5.09 0.00 1.56 1.19 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.07 4.68 0.00 2.13 1.77 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 2.15 2.15 0.00 127 G 6.52 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 0.00 0.00 0.00 128 N 8.23 4.43 0.00 2.78 2.57 0.00 0.00 6.77 7.56 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 0.00 129 Y 8.17 3.93 0.00 3.24 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 0.00 130 R 7.68 4.56 0.00 1.68 1.94 0.00 3.01 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 131 N 8.21 4.55 0.00 2.76 2.91 0.00 0.00 6.98 7.85 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 0.00 132 L 7.93 4.78 0.00 1.63 1.67 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.08 4.66 0.00 2.82 2.99 0.00 0.00 7.01 8.00 0.00 0.00 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 N 7.60 4.63 0.00 2.73 2.87 0.00 0.00 7.39 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 0.00 135 L 8.45 4.41 0.00 1.76 1.62 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.32 4.29 0.00 1.51 1.48 0.00 1.38 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.97 7.81 137 Q 7.62 4.35 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 138 E 8.59 3.91 0.00 1.93 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 2.31 2.29 0.00 139 N 8.14 4.39 0.00 2.88 3.01 0.00 0.00 6.63 7.35 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 0.00 140 A 7.88 4.50 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 0.00 141 Y 8.84 5.12 0.00 3.21 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 0.00 142 L 9.06 5.06 0.00 1.48 1.12 0.80 0.22 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 0.00 143 L 8.98 5.16 0.00 1.17 0.42 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.44 5.86 1.71 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.21 0.91 0.00 0.00 145 R 8.47 4.97 0.00 1.73 1.88 0.00 2.91 0.00 0.00 2.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 146 R 8.37 4.34 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.