NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3984 8.0176 117.3796 62.9319 70.3504 174.5735 6 P 4.1309 0.0000 0.0000 65.3604 31.0789 177.7093 7 F 4.4156 9.2528 121.9082 61.1380 39.5119 177.7718 8 D 4.7287 7.8552 118.2199 57.1810 40.5607 178.6835 9 A 3.9682 8.0770 121.3385 54.9410 18.1877 179.3960 10 L 3.7555 7.6834 117.0520 57.9952 42.4077 178.0885 11 W 4.1155 8.6704 127.4210 60.9030 30.7788 177.6375 12 Q 4.0669 8.4949 117.9218 58.6802 27.7950 178.6562 13 R 3.6205 7.5143 115.7301 57.4559 29.6612 177.7202 *15 L 3.8953 7.8512 118.7552 54.3726 43.5620 178.9134 16 A 3.9022 7.5482 120.3329 55.1538 18.3218 178.9869 17 R 3.7547 6.9390 113.6229 57.3970 30.0739 177.6190 18 G 4.1171 7.5669 104.4772 44.5128 0.0000 173.9699 19 W 4.5955 7.7401 120.5050 56.9164 30.0717 175.6428 20 T 4.3186 8.3900 115.7714 59.9226 69.7734 172.6110 21 P 4.8941 0.0000 0.0000 63.1826 32.0884 176.0464 22 V 4.5761 8.7557 122.1955 59.9579 34.6027 174.6725 23 S 4.7334 8.1926 117.0876 56.8125 65.3736 174.5728 24 E 4.1745 8.6251 126.1372 59.4122 29.9277 178.8796 25 S 4.2556 8.1516 111.4740 60.4158 62.6273 174.4706 26 R 4.6279 9.0260 117.5728 55.4404 31.9821 176.8440 27 L 4.0364 8.1416 120.7101 58.5434 41.8498 178.3646 28 D 4.5560 8.2024 117.8810 57.6021 40.7058 178.0547 29 D 4.3931 8.2102 118.5422 57.4666 40.6710 178.7818 30 W 4.1567 7.9251 126.8182 60.6132 30.9961 177.3884 31 L 3.6967 8.8075 119.7180 57.9352 40.7931 179.5122 32 T 3.7560 8.0337 114.8394 66.7505 68.3778 175.3073 33 Q 4.0592 7.4887 115.1633 56.6580 29.3481 176.0482 34 A 4.5997 7.0898 121.3172 48.3674 18.3591 173.9312 35 P 4.2630 0.0000 0.0000 64.5351 33.1275 176.5836 36 D 5.0170 7.7574 119.4745 52.7764 43.2950 175.1768 37 G 4.6767 8.6233 109.1128 45.8784 0.0000 170.6831 38 V 5.2658 8.8654 112.5748 59.3552 36.0623 175.2744 39 V 4.6213 8.5046 123.1156 61.0499 33.7289 174.4085 40 L 4.4024 8.8857 129.4446 54.1328 43.0042 176.0049 41 L 4.4681 8.6031 125.6449 53.4641 42.8544 176.5145 42 S 4.9499 8.4413 119.7587 56.9338 65.5719 173.1417 43 S 4.8166 8.2231 114.5487 55.9616 66.2148 172.6275 44 D 3.9952 8.5777 122.3520 53.9938 40.7114 175.4177 45 P 4.4068 0.0000 0.0000 64.9474 31.7186 178.0551 46 K 4.0745 8.2099 117.2132 59.3558 32.0810 177.8776 47 R 3.9501 7.4968 117.7780 59.0471 29.9818 175.9717 48 T 4.6310 7.4823 110.3478 59.6937 70.3498 173.9313 49 P 5.1852 0.0000 0.0000 62.7934 30.7010 177.4507 50 E 4.6204 7.6286 119.3067 58.5761 31.1717 177.7850 51 V 3.6497 7.3411 117.7471 65.6516 31.2058 178.0266 52 S 4.3705 8.1733 112.8900 60.5465 61.7510 174.7664 53 D 4.8259 8.2294 121.1534 53.1243 39.9131 177.6640 54 N 4.1555 7.4614 117.7818 56.4732 39.2780 174.1985 55 P 4.6033 0.0000 0.0000 65.5548 31.6082 180.3079 56 V 3.9138 7.1421 114.5707 63.2980 31.2901 177.7767 *58 I 4.0338 8.0141 120.7302 60.7847 38.9850 178.2310 59 G 3.8854 8.4670 105.9927 48.0280 0.0000 175.3305 60 E 4.2847 8.3641 120.7264 59.0881 29.5313 178.8303 61 L 4.2595 8.5011 119.9440 58.5578 41.8959 178.6786 62 L 3.7704 7.8959 118.8502 58.0777 41.4236 178.8364 63 H 4.6791 7.8796 110.7265 57.1240 28.4333 176.3142 64 E 4.2378 8.3869 121.2203 57.1513 30.6338 176.6245 65 F 4.9965 8.6406 117.7291 54.8656 39.6285 173.6437 66 P 4.5439 0.0000 0.0000 65.1307 32.0997 178.2076 67 D 4.3499 8.2083 117.1886 56.3634 39.4455 176.8050 68 Y 3.9371 6.8097 115.6823 57.6446 38.6081 176.1344 69 T 4.4084 7.5360 116.8838 62.3055 66.7864 174.9483 70 W 4.8265 7.0395 119.8702 55.4275 30.4012 175.9066 71 Q 4.6516 9.2800 123.2591 54.4619 31.7705 173.7989 72 V 4.3162 8.5591 126.1103 61.6460 33.4428 174.1721 73 A 4.6576 9.0248 129.2889 49.7320 22.0227 174.7554 74 I 4.8339 8.1209 113.9635 58.8829 40.7773 174.2603 75 A 5.4109 8.3166 125.5494 50.0780 21.5115 176.0607 76 D 4.6433 8.6554 121.4323 52.2446 40.6844 177.0898 77 L 3.8292 8.7074 119.2603 58.3654 41.1074 179.5087 78 E 4.0727 8.1349 117.4742 59.7509 29.4650 179.3482 79 Q 4.0892 8.7292 118.0822 59.0043 28.7779 178.8587 80 S 4.1023 8.6267 116.7247 61.7339 62.8294 176.7937 81 E 4.1227 8.0821 119.6963 59.3930 29.2832 178.9745 82 A 4.0003 8.0580 120.1811 55.3783 18.4989 179.3159 83 I 3.8785 8.1614 118.3051 64.8060 37.2226 178.9988 84 G 3.8204 8.3001 106.2846 47.9528 0.0000 175.3714 85 D 4.1102 8.4040 120.8220 57.2017 40.8989 178.5963 86 R 3.9840 7.9118 118.2701 58.3933 30.1726 177.4581 87 F 4.4978 8.0262 115.1415 56.4443 39.4906 176.6914 88 G 3.5809 8.0645 106.9272 45.4164 0.0000 174.8665 89 A 4.2315 7.5394 122.6086 52.2112 16.4839 177.0376 90 F 4.6827 8.3804 117.1533 57.3495 39.3918 176.5238 91 R 4.4224 7.7869 120.6219 54.6767 30.9765 173.9829 92 F 5.3044 8.3545 123.3020 55.2808 41.1705 174.3576 93 P 4.6591 0.0000 0.0000 62.8398 32.5342 175.2151 94 A 5.5912 8.2910 123.3587 49.7642 23.5516 175.7110 95 T 4.6620 7.9836 115.2694 62.2976 72.2612 173.5153 96 L 4.2290 8.8320 128.4142 54.6170 43.1615 176.4945 97 V 4.7522 8.5143 123.5910 61.1349 33.5387 174.3774 98 F 5.4112 9.4859 125.5417 56.2873 42.6948 174.1039 99 T 4.5616 9.4954 117.6436 62.7028 73.2474 174.0938 100 G 4.0997 10.3697 112.6431 46.4727 0.0000 174.0974 101 G 3.9445 8.5367 105.0914 45.2917 0.0000 173.8148 102 N 5.2020 9.3633 116.8198 50.9467 41.7075 173.4206 103 Y 4.3537 8.7717 123.1150 57.6724 39.7828 174.4581 104 R 4.1165 7.6977 124.5316 55.9903 32.3626 176.1286 105 G 3.4908 5.9754 102.8184 45.3282 0.0000 170.8788 106 V 4.7287 7.9439 117.9623 59.8261 34.3532 175.4519 107 L 4.3553 8.5009 125.6934 54.2294 42.0229 175.3293 108 N 5.1768 8.8344 121.9025 52.1809 39.4505 175.9795 109 G 3.8976 8.9831 107.5559 45.4025 0.0000 172.1405 110 I 4.2921 7.7185 117.8370 59.1915 39.9422 173.9905 111 H 4.9440 8.1942 122.7329 52.4171 32.9258 171.3065 112 P 4.4763 0.0000 0.0000 62.0354 33.0155 177.7089 113 W 4.2074 8.7128 118.0595 60.0031 28.8896 178.7852 114 A 4.0794 8.1157 120.1301 55.4345 17.8477 179.4082 115 E 4.0184 8.2423 115.1222 59.1186 29.8598 178.7538 116 L 4.1325 8.0049 120.1964 57.5475 42.2047 178.4891 117 I 3.9337 8.0719 118.1731 64.0545 38.0811 177.2108 118 N 4.6909 8.2294 116.2471 54.7925 37.1343 175.5716 119 L 4.2351 7.5270 121.2900 55.3712 41.8113 178.6478 *121 R 4.4472 8.1301 121.7127 56.4081 31.6947 177.7220 122 G 3.6711 7.6804 105.4534 47.9204 0.0000 174.5665 123 L 4.1577 7.7752 118.6384 56.2367 42.1187 177.6729 124 V 4.2696 6.7411 110.1766 60.2310 31.9931 175.4433 125 E 4.6822 8.0160 126.3372 57.2482 29.7027 175.9804 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 5 T 8.02 4.40 4.68 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 1.30 0.00 0.00 6 P 0.00 4.13 0.00 2.43 2.35 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 7 F 9.25 4.42 0.00 3.04 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 8 D 7.86 4.73 0.00 3.05 2.75 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 9 A 8.08 3.97 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 10 L 7.68 3.76 0.00 1.66 1.80 0.91 1.22 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 11 W 8.67 4.12 0.00 3.02 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 12 Q 8.49 4.07 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 13 R 7.51 3.62 0.00 2.08 1.85 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 *15 L 7.85 3.90 0.00 1.70 1.54 0.63 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.55 3.90 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 17 R 6.94 3.75 0.00 0.67 1.56 0.00 2.21 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.00 18 G 7.57 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.74 4.60 0.00 3.03 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 20 T 8.39 4.32 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 1.33 0.00 0.00 21 P 0.00 4.89 0.00 2.06 2.43 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 22 V 8.76 4.58 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 0.56 0.00 0.00 0.71 0.00 0.00 23 S 8.19 4.73 0.00 4.00 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 24 E 8.63 4.17 0.00 2.04 2.00 0.00 0.00 0.00 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 2.41 0.00 25 S 8.15 4.26 0.00 3.88 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 26 R 9.03 4.63 0.00 1.83 1.93 0.00 3.23 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 27 L 8.14 4.04 0.00 1.83 1.88 0.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.20 4.56 0.00 2.78 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 29 D 8.21 4.39 0.00 2.96 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 30 W 7.93 4.16 0.00 3.28 3.43 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 31 L 8.81 3.70 0.00 1.92 1.55 0.50 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.03 3.76 4.35 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 1.16 0.00 0.00 33 Q 7.49 4.06 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 34 A 7.09 4.60 0.05 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 0.00 0.00 35 P 0.00 4.26 0.00 2.05 2.26 0.00 3.54 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 1.96 1.92 0.00 36 D 7.76 5.02 0.00 2.44 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.62 4.68 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 38 V 8.87 5.27 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 0.30 0.00 0.00 0.60 0.00 0.00 39 V 8.50 4.62 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 0.92 0.00 0.00 0.92 0.00 0.00 40 L 8.89 4.40 0.00 1.60 1.57 0.67 0.16 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 41 L 8.60 4.47 0.00 1.10 0.55 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.44 4.95 0.00 4.05 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 43 S 8.22 4.82 0.00 4.15 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 44 D 8.58 4.00 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.41 0.00 2.16 2.21 0.00 3.65 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 46 K 8.21 4.07 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 47 R 7.50 3.95 0.00 1.77 1.97 0.00 3.27 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 48 T 7.48 4.63 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 1.22 0.00 0.00 49 P 0.00 5.19 0.00 2.23 2.14 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 50 E 7.63 4.62 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 51 V 7.34 3.65 2.15 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 1.15 0.00 0.00 0.97 0.00 0.00 52 S 8.17 4.37 0.00 4.10 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 53 D 8.23 4.83 0.00 2.92 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 54 N 7.46 4.16 0.00 2.81 2.92 0.00 0.00 7.15 7.57 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 55 P 0.00 4.60 0.00 2.29 2.34 0.00 3.68 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 2.22 2.27 0.00 56 V 7.14 3.91 2.15 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 1.06 0.00 0.00 0.95 0.00 0.00 *58 I 8.01 4.03 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.66 0.00 0.00 59 G 8.47 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 60 E 8.36 4.28 0.00 2.55 2.15 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 2.65 2.68 0.00 61 L 8.50 4.26 0.00 1.99 1.94 1.23 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.90 3.77 0.00 1.90 1.59 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.88 4.68 0.00 3.37 3.53 0.00 5.57 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.39 4.24 0.00 2.32 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 0.00 2.16 2.47 0.00 65 F 8.64 5.00 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.54 0.00 2.08 2.20 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 67 D 8.21 4.35 0.00 2.44 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 68 Y 6.81 3.94 0.00 1.57 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 69 T 7.54 4.41 4.19 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 1.11 0.00 0.00 70 W 7.04 4.83 0.00 3.44 3.07 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 71 Q 9.28 4.65 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 72 V 8.56 4.32 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 -0.39 0.00 0.00 0.21 0.00 0.00 73 A 9.02 4.66 -0.27 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 74 I 8.12 4.83 1.81 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.17 1.00 0.00 0.00 75 A 8.32 5.41 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 76 D 8.66 4.64 0.00 2.48 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 3.83 0.00 1.50 1.66 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.13 4.07 0.00 2.26 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 2.35 2.43 0.00 79 Q 8.73 4.09 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 80 S 8.63 4.10 0.00 3.89 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 81 E 8.08 4.12 0.00 2.32 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 2.41 2.57 0.00 82 A 8.06 4.00 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 83 I 8.16 3.88 2.00 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 1.56 0.76 0.99 0.00 0.00 84 G 8.30 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 0.00 0.00 0.00 85 D 8.40 4.11 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.91 3.98 0.00 1.78 2.16 0.00 3.21 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.43 0.00 87 F 8.03 4.50 0.00 3.01 3.02 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 88 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.54 4.23 1.45 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 90 F 8.38 4.68 0.00 3.09 2.91 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 91 R 7.79 4.42 0.00 1.78 1.89 0.00 3.26 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 92 F 8.35 5.30 0.00 2.86 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 93 P 0.00 4.66 0.00 2.16 1.95 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 94 A 8.29 5.59 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 95 T 7.98 4.66 4.11 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 1.03 0.00 0.00 96 L 8.83 4.23 0.00 1.62 1.40 -0.35 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.51 4.75 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 0.89 0.00 0.00 0.76 0.00 0.00 98 F 9.49 5.41 0.00 3.22 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 99 T 9.50 4.56 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 1.26 0.00 0.00 100 G 10.37 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 0.00 101 G 8.54 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 0.00 0.00 0.00 102 N 9.36 5.20 0.00 2.96 2.73 0.00 0.00 6.67 7.36 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 0.00 103 Y 8.77 4.35 0.00 2.98 2.89 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 0.00 104 R 7.70 4.12 0.00 1.58 1.92 0.00 3.39 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 105 G 5.98 3.49 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 0.00 0.00 0.00 106 V 7.94 4.73 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 0.83 0.00 0.00 0.98 0.00 0.00 107 L 8.50 4.36 0.00 1.53 1.63 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.83 5.18 0.00 2.89 2.85 0.00 0.00 6.41 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 0.00 109 G 8.98 3.90 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 0.00 0.00 0.00 110 I 7.72 4.29 1.79 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 1.31 0.85 0.90 0.00 0.00 111 H 8.19 4.94 0.00 3.03 3.14 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.48 0.00 2.20 2.04 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 113 W 8.71 4.21 0.00 3.44 3.21 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 0.00 114 A 8.12 4.08 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 0.00 115 E 8.24 4.02 0.00 1.98 2.04 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 2.34 2.34 0.00 116 L 8.00 4.13 0.00 1.69 1.61 0.76 0.48 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 I 8.07 3.93 2.27 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.13 1.15 0.00 0.00 118 N 8.23 4.69 0.00 2.98 2.98 0.00 0.00 7.08 7.09 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 0.00 119 L 7.53 4.24 0.00 1.93 1.63 0.69 0.57 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 *121 R 8.13 4.45 0.00 2.21 2.10 0.00 3.45 0.00 0.00 3.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 122 G 7.68 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 0.00 123 L 7.78 4.16 0.00 1.49 1.56 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 124 V 6.74 4.27 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 0.34 0.00 0.00 0.61 0.00 0.00 125 E 8.02 4.68 0.00 2.00 2.04 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 2.11 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.