NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1456 8.1701 117.3775 63.3471 70.2013 173.1119 *4 A 4.1671 7.9770 123.1109 51.9680 20.7395 177.2244 5 D 4.5079 8.6839 122.7289 57.8006 40.9032 179.3576 6 E 3.7859 8.0631 118.3279 59.6125 29.3972 179.4629 7 T 3.8275 7.7552 115.2033 66.6428 68.6554 176.5893 8 I 3.7293 7.7674 121.6857 64.5011 37.2603 178.5900 9 I 3.4945 7.7946 120.8364 64.3614 36.8327 178.5880 10 L 3.9962 8.0905 119.9890 57.6929 41.2654 179.2981 11 N 4.3207 8.5210 117.1027 56.1346 38.3725 177.4938 12 V 3.5475 7.6411 119.6252 65.9248 31.6385 177.7198 13 L 3.9557 7.8118 119.8747 58.2336 41.9001 179.2339 14 G 3.6721 8.3516 105.6907 47.9816 0.0000 175.7597 15 Q 4.1080 8.5061 120.6613 58.5780 28.5571 178.1581 16 Y 3.9597 8.1912 121.2018 60.9409 38.8297 178.3043 17 T 3.9648 8.1858 110.7723 64.8257 68.8561 176.6458 18 R 3.9399 8.2020 120.6827 59.0653 30.1067 178.9081 19 A 3.9623 8.1389 120.5808 55.1454 18.4602 178.9698 20 H 3.7847 8.2164 117.0615 59.7688 29.9008 177.3051 21 D 4.2504 8.1117 121.6407 56.2995 40.4062 178.5966 22 R 3.7905 7.7797 117.0857 56.1970 30.7243 176.4009 23 R 3.5031 7.1926 116.4718 57.1559 28.1818 177.0608 24 D 4.6918 7.9002 118.7109 51.7777 40.8909 174.5506 25 P 4.2183 0.0000 0.0000 65.5578 32.0153 178.0011 26 D 4.4224 7.9010 116.4261 57.1252 40.3744 179.1695 27 A 3.8257 8.4862 119.3099 52.6497 17.8548 178.9100 *29 A 4.4455 8.1199 124.2607 53.7300 20.3886 179.8710 30 A 4.1903 7.9526 117.4949 54.7261 18.6246 178.4325 31 L 4.2069 7.6373 112.0094 55.8464 42.1307 176.5535 32 F 5.0810 7.8757 117.2244 54.9289 41.3294 175.5582 33 A 4.2184 8.7469 127.0829 51.6841 18.8079 176.9314 34 P 4.2521 0.0000 0.0000 65.5141 31.4751 177.8485 35 E 4.5391 8.0324 112.0942 55.8559 30.0547 175.7808 36 A 4.5304 7.9973 122.0230 52.3169 19.5821 177.0717 37 T 5.0497 8.5232 115.5140 61.7933 72.5112 173.1606 38 I 4.5702 8.5397 125.8129 59.7102 39.8258 174.3649 39 E 4.8388 8.8145 127.0253 54.9821 31.4649 174.8478 40 I 4.9704 8.8174 126.6631 59.8122 39.4171 175.4654 41 V 4.9497 9.1351 119.5936 59.5684 36.7077 174.1913 42 D 4.8465 9.4699 123.8684 53.5950 41.9937 176.3070 43 A 5.3234 8.8688 128.0001 50.9377 19.9098 175.8947 44 V 3.6550 7.9861 119.1310 65.0989 31.7961 176.8093 45 G 3.7975 9.4655 114.0583 46.2228 0.0000 173.9425 46 G 3.7602 8.4844 105.5918 45.5593 0.0000 174.1357 47 A 4.2542 7.5895 122.9358 52.1063 19.5153 178.1358 48 S 4.7022 7.9867 111.1984 57.1715 62.5527 174.0127 49 R 4.4242 8.1859 121.5671 55.1345 31.8756 178.0197 50 S 4.3529 8.7673 119.4184 59.2085 62.5106 173.3543 51 I 4.2593 8.9166 128.8430 63.1723 37.9391 176.0497 52 S 4.5708 7.7007 114.4310 57.0254 65.8670 172.5156 53 R 4.9418 8.5655 125.9815 54.6014 32.1321 174.5896 54 L 4.5172 9.0967 127.6281 53.3101 43.6302 175.6493 55 E 4.5442 8.9961 124.9302 56.9633 30.9025 177.2607 56 G 4.0418 9.0683 110.4209 45.3857 0.0000 173.7324 57 R 3.8267 8.4041 117.5687 59.2123 29.9936 179.1431 58 D 4.3026 8.0659 117.9867 57.3021 40.8849 178.5104 59 A 3.9552 7.8830 120.7160 55.1448 18.4613 179.5644 60 I 3.5111 7.5374 118.0808 64.4645 36.6631 178.8189 61 R 3.8391 8.1683 119.1984 59.3301 29.8739 179.3243 62 V 3.7332 7.8717 117.6980 65.9577 31.2916 177.9342 63 A 3.9274 7.8392 119.5137 54.9777 18.2093 179.2974 64 V 3.5569 7.4471 116.1856 65.9033 31.5087 177.8757 65 R 4.0869 7.2297 117.7982 58.5095 31.5043 177.8292 66 Q 4.2141 7.8221 117.9302 53.5497 25.9890 175.7637 *69 A 4.0956 7.1372 121.3574 51.0787 20.3775 175.4339 70 P 4.3015 0.0000 0.0000 62.6553 32.0780 175.8546 71 H 4.4965 8.4960 118.6459 55.1784 29.2144 175.7502 72 G 3.7337 8.7424 114.3123 44.8621 0.0000 171.8570 73 Y 4.3466 8.7319 127.5038 58.8806 38.9958 176.1218 74 R 3.6007 8.4847 123.9112 56.8685 27.7658 175.2183 75 A 5.1691 7.8742 119.1058 50.9884 21.1835 177.0511 76 W 4.8444 8.9396 128.7704 57.1179 34.5890 172.9812 77 S 5.1969 7.5342 112.7488 57.3851 66.3312 172.7375 78 Q 4.9567 9.2489 121.2712 53.4865 32.0440 173.4543 79 N 4.9185 8.7622 126.4044 52.5595 38.9621 174.4564 80 V 4.1438 8.4134 126.9768 61.9406 31.1794 174.5298 81 V 4.4980 8.1905 119.0112 60.9646 32.8269 174.7221 82 N 4.7138 9.5730 119.7433 51.9935 41.0066 173.5650 83 A 3.7239 8.5395 119.6606 52.6458 15.9759 176.1564 84 P 4.7585 0.0000 0.0000 63.6409 32.8349 176.6971 85 I 4.5889 8.8604 122.6676 59.6310 40.3321 174.4466 86 I 4.9047 8.4155 127.0218 59.3629 40.2709 175.0242 87 V 4.3331 8.7813 126.2947 61.1859 34.3070 173.9397 88 I 4.7115 8.4280 128.6754 59.6218 39.1142 175.2663 89 E 4.4824 9.0329 127.5911 54.7650 31.6665 177.0945 90 G 4.0273 8.4765 119.7416 46.8776 0.0000 172.2368 91 D 4.6794 9.0095 124.8723 52.8937 39.8501 174.8457 92 H 5.7474 8.2381 116.6976 54.5940 32.9106 172.3762 93 A 5.1388 9.2506 121.3154 50.5296 23.1817 175.1452 94 V 4.8160 8.7670 119.4519 60.8961 34.9697 174.1346 95 L 5.0813 8.9087 129.3643 53.2402 44.9952 174.1842 96 D 5.5414 9.1756 126.0531 52.4466 43.8780 174.5498 97 A 5.0771 9.0885 126.9756 50.0125 22.7740 175.3913 98 Q 4.5491 8.7998 120.6851 56.2475 30.4360 175.7713 99 F 5.5988 8.2660 115.8815 54.6607 42.0639 172.8180 *101 V 4.4583 8.1987 116.6689 63.3169 32.8337 174.6103 102 F 5.3823 9.2663 126.4324 55.5908 41.9126 175.0363 103 S 4.7743 9.1101 118.5816 58.1833 64.7777 173.0447 104 I 5.0751 8.9320 123.2421 59.4953 40.4152 174.1434 105 L 4.9708 9.1148 128.8620 52.9805 44.6697 175.1569 106 A 4.5376 8.8255 129.3668 51.3432 18.9735 177.0731 107 A 4.2644 8.6932 124.8312 51.7124 19.3511 177.5027 108 E 4.0167 8.7448 120.1838 56.1977 30.2422 177.1276 109 V 3.1760 8.1329 123.1796 61.1872 32.2250 174.0782 110 P 4.2070 0.0000 0.0000 62.2946 31.8489 177.1061 111 D 4.2001 8.7116 122.5213 57.5037 40.8221 177.8169 112 G 3.6413 7.8610 104.6815 45.5088 0.0000 174.3900 113 G 3.8379 7.7118 104.7098 44.5165 0.0000 173.6590 114 W 4.3636 7.8887 118.9810 55.7013 29.9108 175.1107 115 P 4.4432 0.0000 0.0000 62.3783 31.5336 175.9483 116 T 3.9192 8.3451 117.3345 65.8990 68.6286 174.6639 117 G 3.9949 8.8592 113.6868 45.3994 0.0000 172.9907 118 T 4.2605 7.1546 116.7054 62.3824 69.0611 174.3539 119 F 4.6279 8.2591 124.4064 56.5681 42.7832 175.9766 120 G 3.7398 8.7117 111.3287 44.2838 0.0000 172.7800 121 A 3.9031 8.2325 120.9980 52.1980 18.9456 177.2698 122 Q 4.3496 9.7377 120.6541 55.2776 30.5034 175.6912 123 G 4.1033 7.4077 112.1827 45.1859 0.0000 170.3733 124 R 4.7182 8.3617 120.3966 54.6582 33.8053 175.4751 125 I 5.1661 8.5063 125.7796 59.5874 40.2229 175.0106 126 V 4.6698 8.8716 126.4774 60.2583 34.9789 172.5724 127 P 4.1311 0.0000 0.0000 62.6927 31.3358 175.9264 128 I 4.5387 8.7484 116.2261 60.5122 39.1000 175.0943 129 E 4.8740 7.8937 120.0357 55.5450 33.6832 174.2315 130 A 4.1067 7.7152 122.3405 50.3914 22.6061 176.1370 131 G 4.2452 6.2956 108.0663 45.9918 0.0000 171.9315 132 Q 5.0111 7.8300 119.5522 54.4227 33.4994 173.8278 133 Y 5.4472 9.1420 120.2431 56.4905 40.6489 174.8033 134 R 4.9730 9.0640 123.8329 54.7128 32.5768 174.2663 135 L 4.8995 9.1407 127.0682 53.3186 44.5887 175.5739 136 T 4.9763 8.9824 120.3036 62.0192 70.6816 173.7723 137 L 5.5234 9.1824 126.0600 52.9819 45.8413 175.6068 138 R 5.2792 8.9867 117.0099 54.4643 33.3272 174.5727 139 T 3.6916 7.5966 110.0266 61.4814 69.9579 173.9368 140 V 4.3715 8.1789 115.5850 58.9852 35.7672 176.5829 141 A 3.8940 8.6621 123.1438 55.4173 17.9592 178.3342 142 D 4.8886 8.6269 111.6555 53.1541 42.4498 177.8159 143 G 4.4093 6.0155 110.0986 45.8160 0.0000 174.2973 144 W 5.3602 8.4334 123.8398 54.7039 32.9078 174.2457 145 V 4.6227 8.6399 114.1463 59.4477 35.8321 174.7631 146 I 4.4409 8.3579 124.1945 61.1582 37.4361 176.8945 147 S 4.5601 9.2771 122.3454 59.8264 65.1213 173.3528 148 A 4.9219 7.5003 120.0802 51.9561 22.6029 174.3794 *150 R 4.5412 8.3606 116.4101 56.6097 31.8569 174.6013 151 I 5.0341 8.9150 127.0786 59.7849 40.0638 174.2361 152 E 5.1154 9.4629 128.0205 55.0858 31.5234 174.8255 153 H 5.1036 9.2161 122.8210 54.6234 30.6526 175.9637 154 R 4.6149 8.8124 121.1300 55.8605 30.6446 176.1891 155 L 4.8213 7.6128 118.5425 51.8289 45.3276 176.2632 156 P 4.3387 0.0000 0.0000 62.2902 32.1897 175.2177 *158 A 4.0075 8.1995 119.3348 52.8371 19.3203 176.4903 159 F 4.7416 8.7358 118.1974 57.1017 40.4192 175.7126 160 G 4.0341 8.4720 115.2834 45.8094 0.0000 174.1526 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 T 8.17 4.15 4.26 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 1.24 0.00 0.00 *4 A 7.98 4.17 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 5 D 8.68 4.51 0.00 2.76 2.72 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 6 E 8.06 3.79 0.00 1.99 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 2.33 2.35 0.00 7 T 7.76 3.83 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 1.21 0.00 0.00 8 I 7.77 3.73 2.11 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 1.60 1.01 1.16 0.00 0.00 9 I 7.79 3.49 1.64 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.09 0.65 0.00 0.00 10 L 8.09 4.00 0.00 1.63 1.69 0.88 0.93 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 11 N 8.52 4.32 0.00 2.92 2.88 0.00 0.00 6.56 7.31 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 12 V 7.64 3.55 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 0.97 0.00 0.00 0.98 0.00 0.00 13 L 7.81 3.96 0.00 1.76 1.80 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.35 3.67 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 0.00 0.00 0.00 15 Q 8.51 4.11 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 16 Y 8.19 3.96 0.00 2.99 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 17 T 8.19 3.96 4.43 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 1.50 0.00 0.00 18 R 8.20 3.94 0.00 2.03 2.09 0.00 3.39 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 19 A 8.14 3.96 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 20 H 8.22 3.78 0.00 2.93 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.11 4.25 0.00 2.57 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 0.00 0.00 0.00 0.00 22 R 7.78 3.79 0.00 1.85 2.06 0.00 3.48 0.00 0.00 3.47 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 23 R 7.19 3.50 0.00 1.88 1.88 0.00 3.12 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.42 0.00 24 D 7.90 4.69 0.00 2.67 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 0.00 0.00 0.00 0.00 25 P 0.00 4.22 0.00 2.19 2.25 0.00 3.80 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 1.97 1.97 0.00 26 D 7.90 4.42 0.00 2.81 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 27 A 8.49 3.83 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 *29 A 8.12 4.45 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 30 A 7.95 4.19 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 31 L 7.64 4.21 0.00 1.61 1.51 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.88 5.08 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 33 A 8.75 4.22 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 34 P 0.00 4.25 0.00 2.20 2.15 0.00 3.61 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 2.14 2.12 0.00 35 E 8.03 4.54 0.00 2.08 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 2.24 2.25 0.00 36 A 8.00 4.53 1.51 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 0.00 0.00 37 T 8.52 5.05 4.26 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 1.23 0.00 0.00 38 I 8.54 4.57 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.38 0.95 0.00 0.00 39 E 8.81 4.84 0.00 1.91 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 2.29 0.00 40 I 8.82 4.97 1.93 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 1.31 0.71 1.09 0.00 0.00 41 V 9.14 4.95 2.21 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 0.74 0.00 0.00 1.02 0.00 0.00 42 D 9.47 4.85 0.00 2.81 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 43 A 8.87 5.32 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 44 V 7.99 3.66 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 0.92 0.00 0.00 0.98 0.00 0.00 45 G 9.47 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 46 G 8.48 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 47 A 7.59 4.25 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 48 S 7.99 4.70 0.00 3.79 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 49 R 8.19 4.42 0.00 1.86 1.86 0.00 3.18 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 50 S 8.77 4.35 0.00 3.89 3.79 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 51 I 8.92 4.26 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 1.02 0.00 0.00 52 S 7.70 4.57 0.00 3.73 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 53 R 8.57 4.94 0.00 1.90 1.76 0.00 3.25 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 54 L 9.10 4.52 0.00 1.48 1.47 0.85 0.66 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 55 E 9.00 4.54 0.00 1.80 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 2.20 2.26 0.00 56 G 9.07 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 0.00 0.00 0.00 57 R 8.40 3.83 0.00 1.85 1.98 0.00 3.16 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 58 D 8.07 4.30 0.00 2.65 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 59 A 7.88 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.51 1.78 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.62 0.00 0.00 61 R 8.17 3.84 0.00 1.96 1.94 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 62 V 7.87 3.73 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 1.05 0.00 0.00 0.94 0.00 0.00 63 A 7.84 3.93 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 64 V 7.45 3.56 2.17 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 0.73 0.00 0.00 0.90 0.00 0.00 65 R 7.23 4.09 0.00 1.95 2.06 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 66 Q 7.82 4.21 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 *69 A 7.14 4.10 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 70 P 0.00 4.30 0.00 2.07 2.00 0.00 3.68 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 2.03 2.09 0.00 71 H 8.50 4.50 0.00 3.27 3.48 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.74 3.73 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 0.00 0.00 0.00 73 Y 8.73 4.35 0.00 2.88 2.98 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 74 R 8.48 3.60 0.00 1.67 1.76 0.00 2.71 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 75 A 7.87 5.17 1.37 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 76 W 8.94 4.84 0.00 3.19 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 77 S 7.53 5.20 0.00 4.04 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 78 Q 9.25 4.96 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 79 N 8.76 4.92 0.00 2.73 2.80 0.00 0.00 7.20 7.59 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 80 V 8.41 4.14 2.35 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 1.01 0.00 0.00 1.10 0.00 0.00 81 V 8.19 4.50 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 1.05 0.00 0.00 1.02 0.00 0.00 82 N 9.57 4.71 0.00 2.81 2.90 0.00 0.00 6.83 8.17 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 83 A 8.54 3.72 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 84 P 0.00 4.76 0.00 2.06 2.06 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 85 I 8.86 4.59 1.86 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 1.22 0.82 0.89 0.00 0.00 86 I 8.42 4.90 1.79 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 1.13 0.54 0.76 0.00 0.00 87 V 8.78 4.33 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 1.06 0.00 0.00 0.91 0.00 0.00 88 I 8.43 4.71 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 1.05 0.00 0.00 89 E 9.03 4.48 0.00 2.02 1.84 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 2.21 2.30 0.00 90 G 8.48 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 91 D 9.01 4.68 0.00 2.72 2.80 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 92 H 8.24 5.75 0.00 3.14 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.25 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.77 4.82 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 1.01 0.00 0.00 0.95 0.00 0.00 95 L 8.91 5.08 0.00 1.64 1.37 0.94 1.15 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 96 D 9.18 5.54 0.00 2.72 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 97 A 9.09 5.08 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 98 Q 8.80 4.55 0.00 2.33 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.44 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 99 F 8.27 5.60 0.00 3.07 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 *101 V 8.20 4.46 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 0.89 0.00 0.00 1.18 0.00 0.00 102 F 9.27 5.38 0.00 3.04 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 0.00 103 S 9.11 4.77 0.00 3.96 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 0.00 104 I 8.93 5.08 2.06 0.00 0.00 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 1.21 0.98 0.99 0.00 0.00 105 L 9.11 4.97 0.00 1.74 1.53 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.83 4.54 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 0.00 107 A 8.69 4.26 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 0.00 108 E 8.74 4.02 0.00 2.02 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 2.49 2.40 0.00 109 V 8.13 3.18 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 0.34 0.00 0.00 1.01 0.00 0.00 110 P 0.00 4.21 0.00 2.06 1.76 0.00 2.20 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 111 D 8.71 4.20 0.00 2.59 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 0.00 112 G 7.86 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 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 0.00 114 W 7.89 4.36 0.00 3.24 3.04 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 0.00 115 P 0.00 4.44 0.00 2.23 2.01 0.00 3.89 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 116 T 8.35 3.92 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 1.22 0.00 0.00 117 G 8.86 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 0.00 0.00 0.00 118 T 7.15 4.26 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 0.84 0.00 0.00 119 F 8.26 4.63 0.00 2.91 2.82 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 0.00 120 G 8.71 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 0.00 0.00 0.00 121 A 8.23 3.90 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 0.00 122 Q 9.74 4.35 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 123 G 7.41 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 0.00 124 R 8.36 4.72 0.00 1.96 1.75 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 125 I 8.51 5.17 1.91 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 1.27 0.82 1.04 0.00 0.00 126 V 8.87 4.67 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 1.09 0.00 0.00 0.98 0.00 0.00 127 P 0.00 4.13 0.00 1.74 1.25 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 128 I 8.75 4.54 1.85 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 1.35 0.80 0.94 0.00 0.00 129 E 7.89 4.87 0.00 2.01 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 2.28 2.37 0.00 130 A 7.72 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 6.30 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 0.00 132 Q 7.83 5.01 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 133 Y 9.14 5.45 0.00 2.80 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 0.00 134 R 9.06 4.97 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 135 L 9.14 4.90 0.00 1.51 1.43 0.71 0.28 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 0.00 136 T 8.98 4.98 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 1.31 0.00 0.00 137 L 9.18 5.52 0.00 1.66 1.87 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.99 5.28 0.00 1.55 1.74 0.00 2.71 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 139 T 7.60 3.69 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 -0.23 0.00 0.00 140 V 8.18 4.37 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 0.77 0.00 0.00 0.92 0.00 0.00 141 A 8.66 3.89 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 0.00 142 D 8.63 4.89 0.00 2.66 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 0.00 143 G 6.02 4.41 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 0.00 144 W 8.43 5.36 0.00 3.15 3.04 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 0.00 145 V 8.64 4.62 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 0.73 0.00 0.00 0.93 0.00 0.00 146 I 8.36 4.44 1.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.88 0.00 0.00 147 S 9.28 4.56 0.00 3.94 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 0.00 148 A 7.50 4.92 1.29 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 0.00 0.00 0.00 *150 R 8.36 4.54 0.00 1.98 1.91 0.00 3.16 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 151 I 8.92 5.03 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 1.01 0.00 0.00 152 E 9.46 5.12 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 2.28 2.32 0.00 153 H 9.22 5.10 0.00 3.16 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.81 4.61 0.00 1.67 1.86 0.00 3.21 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 155 L 7.61 4.82 0.00 1.54 1.47 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.34 0.00 2.14 2.10 0.00 3.76 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 1.96 1.94 0.00 *158 A 8.20 4.01 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 0.00 159 F 8.74 4.74 0.00 3.04 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 0.00 160 G 8.47 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 * Residues marked with a * may have inaccurate shift predictions.