NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.6499 8.4444 117.8553 55.8424 29.9078 171.4933 9 V 4.0360 7.2296 119.4902 60.7665 34.1744 173.3288 10 F 4.5271 8.9898 121.7741 58.0064 40.7328 174.8369 11 S 4.2609 7.7331 122.0094 55.3336 63.4189 171.6937 12 P 4.1422 0.0000 0.0000 62.9672 31.7601 178.4728 13 Q 3.8945 8.9973 120.9149 58.0304 28.2575 176.8284 14 H 4.8200 7.9642 112.7169 55.5094 29.0820 176.7299 15 C 2.8257 7.7519 122.0354 59.4773 43.1604 176.2823 16 G 3.3527 7.6378 105.0438 46.9209 0.0000 173.8127 17 C 4.2193 7.6715 118.5885 60.3493 28.5442 174.0773 18 D 4.9058 8.3607 121.1424 54.9352 41.5169 176.2785 19 R 4.5212 7.4130 115.7373 55.5238 33.9880 173.6570 20 L 4.8041 8.1997 118.9691 53.8698 43.7332 176.9252 21 T 4.2854 8.5209 118.3644 65.5785 69.0849 175.2769 22 S 4.6448 7.6032 115.2571 56.6480 64.0569 174.4886 23 I 2.9025 7.5844 123.6270 62.3406 37.9824 177.3821 24 D 4.3591 7.7059 119.1259 57.2323 41.1416 177.5062 25 D 4.5966 7.6999 117.5169 55.1905 40.8957 178.5686 26 V 3.6506 7.3092 120.3631 65.8977 31.6260 177.8418 27 R 3.5638 7.5867 117.9324 59.4587 29.5829 178.0658 28 Q 4.0408 8.0676 118.7181 58.9415 28.9229 177.7606 29 C 4.2759 7.8821 119.3901 62.1847 31.8273 175.3921 30 L 4.2018 7.9711 120.5675 58.1568 41.2518 179.4630 31 T 3.9920 8.1590 115.5587 67.1209 68.4573 176.5610 32 E 4.3405 8.1646 118.9169 59.3102 29.4856 178.8588 33 Y 4.5474 8.3336 121.2490 60.5116 38.7004 178.2639 34 I 3.5512 7.8181 119.2464 64.3394 37.4718 177.5932 35 Y 4.1480 8.3152 120.4477 60.4813 38.3988 177.7440 36 W 4.1990 8.9963 129.7150 60.5579 30.9425 177.5741 37 S 3.8168 8.2109 113.8803 59.9628 62.1756 176.5798 38 S 4.3100 7.7677 119.4799 61.3735 62.5759 174.1994 39 Y 4.2134 6.9701 118.6093 57.5181 43.0547 175.8491 40 A 3.5574 6.1259 123.2322 54.1232 18.5609 178.5820 41 Y 3.2290 6.2507 113.3474 58.5943 37.9704 177.4212 42 R 3.9766 6.5193 116.2567 57.3278 30.0231 176.8175 43 N 4.7551 7.8224 112.7472 52.6292 39.6656 174.1694 44 R 4.4655 7.8788 118.0780 54.5035 31.9162 174.6335 45 Q 4.4831 8.5778 124.3767 55.9205 29.5755 177.3141 46 C 4.4467 8.3866 116.7513 55.3441 41.5277 173.9470 47 A 3.9967 8.3394 126.6178 52.4240 18.9870 177.9710 48 G 4.3560 7.0544 105.5977 44.9939 0.0000 174.8538 49 Q 4.0270 9.2677 119.4356 58.0118 28.5675 179.0193 50 L 3.8516 7.7779 121.4348 58.5220 41.8588 178.5035 51 Y 3.5728 7.9804 115.7419 60.2713 37.5521 178.1459 52 S 4.0787 7.4885 113.9367 61.5424 62.9555 175.8924 53 T 3.8129 7.7106 118.2754 66.5197 68.1130 176.3239 54 L 2.4467 7.1576 120.5878 57.5581 41.6315 179.8167 55 L 4.1628 7.6912 119.9593 57.0299 41.5609 179.3069 56 S 4.3954 7.6724 112.7827 60.1738 63.0387 175.8912 57 F 5.2270 8.1432 123.4713 59.2642 38.5440 176.9617 58 R 4.0182 8.1242 119.0387 59.5765 29.8985 178.0989 59 D 4.3740 8.2329 118.7845 57.4823 40.6962 178.4662 60 D 4.3760 8.1140 118.7373 56.9226 40.8625 178.5528 61 A 4.1087 8.1842 121.5344 55.4272 18.3838 179.5226 62 E 4.0831 8.3978 117.1870 59.5087 29.2272 179.4775 63 L 3.9390 7.6101 119.4402 57.4923 42.1821 178.3517 64 V 3.8289 7.1233 116.9701 63.7439 31.9573 176.3863 65 F 4.5623 8.0152 114.4251 56.1860 39.8265 176.4548 66 I 3.2002 7.5556 122.6549 61.3535 36.0188 174.6157 67 D 4.6990 8.3428 132.6526 53.1111 42.1742 175.1578 68 I 3.7148 8.0338 121.7458 63.1522 37.7121 177.9165 69 R 3.8324 7.8557 122.8240 60.2040 29.8878 178.9192 70 E 4.0412 8.4739 117.7793 60.6404 29.4155 180.7534 71 L 4.2077 7.3840 118.5587 58.3034 42.2371 178.7464 72 V 4.1897 7.8870 117.7667 65.9369 31.5210 177.8750 73 K 4.2942 7.5152 117.2993 59.3902 32.0249 180.4367 74 N 4.7312 7.6525 115.2294 51.9294 39.8354 174.1562 *76 P 4.1392 0.0000 0.0000 62.5102 31.4859 176.6398 77 W 4.1804 7.9458 125.1552 59.5145 29.5051 177.1980 78 D 4.4203 7.9596 116.8222 54.6835 39.4345 176.2899 79 D 4.6529 8.0777 119.5323 51.4079 42.5813 175.5800 80 V 3.6209 8.1822 126.0372 65.7841 31.8178 177.3202 81 K 3.8885 8.1592 117.6498 59.7968 31.9160 178.6228 82 D 4.2970 8.1512 117.5234 57.3490 41.1925 177.7306 83 C 3.8103 8.0528 117.1241 62.7191 28.0441 175.9922 84 A 3.9969 8.0935 122.2525 55.1149 17.7054 179.4910 85 E 3.9308 7.8010 116.2133 59.5726 29.8304 179.4025 86 I 3.8976 7.7788 119.7489 64.4482 37.1482 178.3934 87 I 3.9326 7.8874 120.6834 64.6623 37.0526 178.4034 88 R 4.7689 8.1495 118.7791 57.7103 29.5421 178.7408 89 C 4.1370 7.9891 117.1323 62.9147 28.2294 175.1597 90 Y 4.3544 8.2397 116.5633 59.5823 39.0528 176.1900 91 I 4.4091 8.1105 123.8604 58.9412 37.1541 174.4636 92 P 4.6938 0.0000 0.0000 64.6653 31.8260 177.4835 93 D 4.5867 7.7348 115.9660 53.8865 41.4627 176.1098 94 E 3.9223 8.6124 122.5787 58.8854 29.9128 176.6071 95 Q 4.1243 7.9065 119.7927 55.3131 28.3552 174.7810 96 K 4.6673 8.2023 124.9511 55.2352 34.1521 177.2719 97 T 4.3851 8.7299 112.6208 60.6598 71.7690 175.7821 98 I 3.5119 8.1983 121.4641 64.3831 37.7263 178.1153 99 R 3.8177 7.7823 119.0999 59.2272 30.0284 178.1249 100 E 3.8456 7.7986 118.5008 59.3516 29.4982 179.3880 101 I 3.6625 7.9036 120.0836 64.4256 37.1494 178.6991 102 S 3.4191 7.7022 115.3373 61.0995 62.5239 176.3854 103 A 4.1339 8.0548 123.6889 55.4365 18.0744 179.7849 104 I 3.8893 7.8220 118.1114 64.6716 37.2061 178.8157 105 I 3.9820 7.8956 120.6477 64.2788 37.0747 178.6322 106 G 3.8915 8.8092 107.0196 47.9121 0.0000 175.4410 107 L 4.0484 8.6341 123.4828 58.1400 42.1541 178.9104 108 C 4.2169 8.3392 116.5174 62.6939 28.1573 175.9699 109 A 3.8617 8.3139 122.6030 54.9817 17.8626 179.1490 110 Y 3.7683 8.0767 117.7582 60.7534 38.9583 177.7686 111 A 3.8547 8.3551 121.7973 55.2180 18.1893 179.5145 112 A 3.8387 7.8740 119.0926 55.4244 18.1559 180.0977 113 T 4.1130 7.2289 114.5897 66.0914 68.5502 176.0555 114 Y 3.6952 7.5806 120.8191 60.2228 38.8530 177.7737 115 W 4.6245 7.8871 116.8475 56.5372 29.7859 177.0759 116 G 4.0977 6.5299 107.6400 44.8853 0.0000 174.0532 117 G 3.8355 7.8526 109.8117 44.5873 0.0000 173.0152 118 E 3.9899 8.5657 119.8682 58.4872 29.9402 178.1527 119 D 4.8880 7.7834 114.2336 52.9921 40.7014 175.2692 120 H 4.2424 7.0485 115.0639 52.8223 31.5760 171.1580 121 P 4.6101 0.0000 0.0000 62.6804 32.3436 175.4388 122 T 4.7232 8.3524 109.0890 59.3300 72.8346 175.0438 123 S 4.1712 8.5504 116.8740 62.0729 62.8207 176.9220 124 N 4.2342 7.9761 118.7169 56.1687 38.0800 177.5295 125 S 4.0859 7.8906 114.7410 61.3189 63.3576 176.2880 126 L 4.0058 8.0819 122.5987 57.6715 41.3233 179.1741 127 N 4.7119 8.2651 116.1093 56.2155 38.1808 177.2043 128 A 4.1785 7.5555 121.2972 55.0493 18.4304 179.0361 129 L 3.9759 7.4034 117.9746 58.3535 42.3584 178.9515 130 F 4.7953 7.5240 116.9413 59.8743 38.7682 178.1710 131 V 4.0315 7.9506 115.1909 63.6837 31.2038 176.5505 *133 L 4.5404 7.8298 118.5178 54.5117 43.3237 178.4643 134 E 3.9777 8.4021 114.2721 57.1572 29.0882 176.0115 *136 L 4.0832 7.7240 116.2551 54.2632 42.7046 176.8037 137 N 5.0815 8.3740 121.5949 51.4521 40.8563 175.4570 138 Y 4.5570 8.9524 117.9325 60.4641 38.0801 178.2624 139 V 3.3063 6.9998 119.4906 65.5903 31.5805 177.6131 140 D 4.3218 8.5110 119.3568 57.3456 40.4832 178.2517 141 Y 4.3012 7.6017 117.0839 61.0305 37.5751 178.2261 142 N 4.5106 7.8758 117.1487 56.0539 38.7842 177.3833 143 I 3.9405 7.3984 120.5155 64.4531 37.4554 178.3015 144 I 3.7075 7.8308 118.8978 63.4215 37.5260 177.4055 145 F 4.4345 7.9773 120.8110 61.4465 39.2146 176.6651 146 R 3.9194 8.0957 116.3118 57.4668 30.2591 176.7115 147 R 4.3651 7.5734 118.3928 56.0238 30.6834 175.9564 *149 N 4.2866 8.1616 121.1744 53.8088 39.0361 173.4171 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 8 H 8.44 4.65 0.00 3.21 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.23 4.04 2.14 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 0.76 0.00 0.00 0.97 0.00 0.00 10 F 8.99 4.53 0.00 3.24 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 11 S 7.73 4.26 0.00 3.69 3.55 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 12 P 0.00 4.14 0.00 1.97 2.08 0.00 3.28 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.27 0.00 13 Q 9.00 3.89 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 14 H 7.96 4.82 0.00 3.34 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.75 2.83 0.00 2.68 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 16 G 7.64 3.35 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 0.00 17 C 7.67 4.22 0.00 3.26 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 18 D 8.36 4.91 0.00 2.62 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 19 R 7.41 4.52 0.00 1.75 1.89 0.00 3.48 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 L 8.20 4.80 0.00 1.89 1.80 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.52 4.29 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 1.26 0.00 0.00 22 S 7.60 4.64 0.00 3.84 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 23 I 7.58 2.90 1.03 0.00 0.00 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 1.20 0.59 0.72 0.00 0.00 24 D 7.71 4.36 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.60 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 3.65 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 1.33 0.00 0.00 1.00 0.00 0.00 27 R 7.59 3.56 0.00 1.25 1.68 0.00 3.20 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 1.60 1.30 0.00 28 Q 8.07 4.04 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 29 C 7.88 4.28 0.00 3.03 3.11 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 30 L 7.97 4.20 0.00 1.97 1.94 1.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.16 3.99 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 1.28 0.00 0.00 32 E 8.16 4.34 0.00 2.36 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 2.83 2.55 0.00 33 Y 8.33 4.55 0.00 2.88 3.26 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 34 I 7.82 3.55 2.03 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 1.73 1.01 0.85 0.00 0.00 35 Y 8.32 4.15 0.00 3.04 3.12 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 36 W 9.00 4.20 0.00 3.85 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 37 S 8.21 3.82 0.00 3.77 3.51 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 38 S 7.77 4.31 0.00 3.81 3.97 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 39 Y 6.97 4.21 0.00 3.06 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 40 A 6.13 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 6.25 3.23 0.00 1.96 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 42 R 6.52 3.98 0.00 1.66 1.58 0.00 2.96 0.00 0.00 2.99 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 43 N 7.82 4.76 0.00 2.66 2.83 0.00 0.00 6.59 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 R 7.88 4.47 0.00 1.81 2.24 0.00 3.30 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 45 Q 8.58 4.48 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 46 C 8.39 4.45 0.00 2.29 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 0.00 0.00 0.00 0.00 47 A 8.34 4.00 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 48 G 7.05 4.36 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 0.00 49 Q 9.27 4.03 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 50 L 7.78 3.85 0.00 1.79 1.85 0.86 1.08 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 51 Y 7.98 3.57 0.00 2.85 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 52 S 7.49 4.08 0.00 3.79 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 53 T 7.71 3.81 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 1.08 0.00 0.00 54 L 7.16 2.45 0.00 0.61 0.25 -0.35 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.69 4.16 0.00 1.70 1.78 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.67 4.40 0.00 4.10 4.21 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 57 F 8.14 5.23 0.00 3.20 3.27 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 58 R 8.12 4.02 0.00 2.04 2.11 0.00 3.23 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 59 D 8.23 4.37 0.00 2.96 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 60 D 8.11 4.38 0.00 2.78 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 61 A 8.18 4.11 1.54 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 0.00 0.00 62 E 8.40 4.08 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 2.46 2.45 0.00 63 L 7.61 3.94 0.00 1.87 1.78 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.12 3.83 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 0.12 0.00 0.00 0.74 0.00 0.00 65 F 8.02 4.56 0.00 2.93 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 66 I 7.56 3.20 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.94 0.00 0.00 67 D 8.34 4.70 0.00 2.69 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 68 I 8.03 3.71 1.63 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 1.34 -0.16 0.92 0.00 0.00 69 R 7.86 3.83 0.00 1.90 2.09 0.00 3.43 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 70 E 8.47 4.04 0.00 2.03 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 2.24 2.19 0.00 71 L 7.38 4.21 0.00 1.66 1.77 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.89 4.19 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 0.69 0.00 0.00 1.17 0.00 0.00 73 K 7.52 4.29 0.00 1.72 1.92 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.11 1.39 7.81 74 N 7.65 4.73 0.00 2.83 2.87 0.00 0.00 7.07 7.87 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 *76 P 0.00 4.14 0.00 2.19 2.17 0.00 3.05 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 1.98 2.01 0.00 77 W 7.95 4.18 0.00 2.80 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 78 D 7.96 4.42 0.00 2.76 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 79 D 8.08 4.65 0.00 2.70 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 80 V 8.18 3.62 2.14 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 1.12 0.00 0.00 1.12 0.00 0.00 81 K 8.16 3.89 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 82 D 8.15 4.30 0.00 2.96 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 83 C 8.05 3.81 0.00 2.99 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 84 A 8.09 4.00 1.39 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 85 E 7.80 3.93 0.00 2.16 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 2.47 2.49 0.00 86 I 7.78 3.90 1.92 0.00 0.00 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 1.52 0.81 0.94 0.00 0.00 87 I 7.89 3.93 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 1.10 0.00 0.00 88 R 8.15 4.77 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 89 C 7.99 4.14 0.00 3.22 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 90 Y 8.24 4.35 0.00 3.16 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 91 I 8.11 4.41 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 1.26 1.23 0.91 0.00 0.00 92 P 0.00 4.69 0.00 2.04 2.10 0.00 3.73 0.00 0.00 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 93 D 7.73 4.59 0.00 2.65 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 94 E 8.61 3.92 0.00 1.91 1.97 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 2.30 2.35 0.00 95 Q 7.91 4.12 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 96 K 8.20 4.67 0.00 1.72 1.66 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.56 7.81 97 T 8.73 4.39 4.20 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 1.21 0.00 0.00 98 I 8.20 3.51 1.83 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 1.43 1.25 0.86 0.00 0.00 99 R 7.78 3.82 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 E 7.80 3.85 0.00 2.08 1.93 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 2.24 2.27 0.00 101 I 7.90 3.66 1.75 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 1.42 1.04 0.80 0.00 0.00 102 S 7.70 3.42 0.00 3.67 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 0.00 103 A 8.05 4.13 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 0.00 104 I 7.82 3.89 2.08 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 1.71 0.83 1.00 0.00 0.00 105 I 7.90 3.98 2.23 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 1.31 0.00 0.00 106 G 8.81 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 0.00 107 L 8.63 4.05 0.00 1.67 1.90 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.34 4.22 0.00 3.19 3.10 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 0.00 109 A 8.31 3.86 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 0.00 110 Y 8.08 3.77 0.00 3.16 3.10 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 0.00 111 A 8.36 3.85 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 0.00 112 A 7.87 3.84 1.23 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 0.00 113 T 7.23 4.11 3.86 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 0.00 0.00 0.63 0.00 0.00 114 Y 7.58 3.70 0.00 2.38 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 0.00 115 W 7.89 4.62 0.00 3.26 3.11 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 0.00 116 G 6.53 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 0.00 117 G 7.85 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 0.00 118 E 8.57 3.99 0.00 1.85 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 2.20 2.20 0.00 119 D 7.78 4.89 0.00 2.74 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 0.00 120 H 7.05 4.24 0.00 3.08 3.17 0.00 5.45 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 0.00 121 P 0.00 4.61 0.00 2.24 2.12 0.00 3.31 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 122 T 8.35 4.72 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 0.00 123 S 8.55 4.17 0.00 3.87 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 0.00 124 N 7.98 4.23 0.00 2.37 1.88 0.00 0.00 6.88 7.10 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 0.00 125 S 7.89 4.09 0.00 4.14 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 0.00 126 L 8.08 4.01 0.00 1.97 1.79 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.27 4.71 0.00 3.05 3.15 0.00 0.00 6.93 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 0.00 128 A 7.56 4.18 1.09 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 0.00 0.00 129 L 7.40 3.98 0.00 1.43 1.33 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.52 4.80 0.00 3.34 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 0.00 131 V 7.95 4.03 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 0.92 0.00 0.00 1.20 0.00 0.00 *133 L 7.83 4.54 0.00 2.06 1.93 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.40 3.98 0.00 2.09 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 0.00 2.37 2.39 0.00 *136 L 7.72 4.08 0.00 1.49 0.97 0.85 0.94 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 0.00 137 N 8.37 5.08 0.00 3.23 3.05 0.00 0.00 6.38 7.47 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 0.00 138 Y 8.95 4.56 0.00 3.33 3.30 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 0.00 139 V 7.00 3.31 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 0.91 0.00 0.00 0.23 0.00 0.00 140 D 8.51 4.32 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.30 0.00 3.19 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 0.00 142 N 7.88 4.51 0.00 2.80 2.94 0.00 0.00 7.06 7.30 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 0.00 143 I 7.40 3.94 1.99 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 1.40 0.82 0.88 0.00 0.00 144 I 7.83 3.71 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 1.12 0.00 0.00 145 F 7.98 4.43 0.00 3.18 3.41 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 0.00 146 R 8.10 3.92 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 147 R 7.57 4.37 0.00 2.10 2.11 0.00 3.11 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 *149 N 8.16 4.29 0.00 2.60 2.56 0.00 0.00 7.09 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 * Residues marked with a * may have inaccurate shift predictions.