NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7465 8.1833 119.3552 57.5021 41.2891 173.2631 3 Y 4.7943 8.7804 119.8669 55.3882 40.9771 170.7586 4 E 5.1200 10.6218 127.7982 54.7626 32.5106 174.1294 5 I 4.9083 9.1480 128.1711 59.7687 40.0351 174.5561 6 R 5.0712 8.6602 126.7272 54.6094 32.6053 175.3890 7 T 4.9002 8.9096 120.4753 61.9683 71.6618 172.7089 8 Y 5.3917 8.9015 124.1568 56.1630 42.0092 174.7425 9 R 4.9852 9.1140 122.9950 54.7960 32.3372 175.4825 10 L 4.8904 8.8644 127.2358 53.1131 43.6420 176.5835 11 K 4.2761 8.9292 121.9987 55.7574 33.3778 175.5667 12 N 4.4516 8.7790 124.9521 56.1339 38.8573 174.7784 13 G 3.9253 9.3283 114.1676 45.6582 0.0000 173.8732 14 A 4.3435 8.2236 121.2037 52.7633 18.7970 179.5320 15 I 3.6783 7.7453 118.8891 63.9625 37.3192 176.1564 16 P 4.1475 0.0000 0.0000 65.5853 31.2841 178.5169 17 A 3.9920 7.9592 118.9270 55.1848 18.3994 178.7146 18 Y 3.9529 8.3668 118.3193 61.1181 38.9457 178.5651 19 L 4.0528 8.5844 120.1165 57.3672 41.5243 179.6545 20 K 3.8803 7.9822 119.8713 59.5265 32.2134 179.4213 21 V 3.6678 7.6942 119.3405 64.5279 31.3260 178.5963 22 V 3.4985 7.7417 119.0148 65.7190 31.1735 177.5454 23 E 3.7904 7.6981 117.6025 59.5972 29.5877 178.3271 24 D 4.5285 8.2092 117.7220 56.6031 41.0012 176.9854 25 E 4.6299 8.6961 115.1642 54.6187 32.1260 176.7372 26 G 3.0105 7.3514 104.4762 45.4853 0.0000 174.8962 27 I 3.7857 7.9815 121.2509 64.1189 37.9024 177.8592 28 E 3.9768 8.0479 118.7160 59.3783 29.3743 179.1294 29 I 3.6930 7.6871 119.3553 64.5159 37.1979 178.1094 30 Q 3.4299 8.3039 120.5123 59.0073 28.9608 178.4723 31 K 4.3351 8.5943 120.1994 59.3252 31.9005 179.4215 32 S 4.2078 8.0570 113.5814 60.6457 62.9083 175.3880 33 H 4.5734 7.2457 118.0872 57.9111 29.5973 177.0322 34 L 4.2328 7.8259 119.4088 54.9015 41.5183 177.8240 35 G 4.0183 8.6151 108.8649 43.5156 0.0000 174.1320 36 E 4.5215 8.9753 125.1710 54.1800 32.4440 175.7811 37 L 3.3495 8.2432 127.6795 54.3499 42.2316 176.4692 38 V 3.8585 8.4202 127.0082 64.9256 32.5684 176.2839 39 G 3.7270 6.9095 103.4219 45.5621 0.0000 172.2377 40 Y 4.6404 7.6625 122.6079 55.6856 41.2520 174.1073 41 F 5.4565 9.4177 125.7754 55.6018 43.3156 174.2526 42 F 5.6915 8.2395 114.7172 54.7010 40.8304 174.8381 43 S 4.2790 8.8005 115.3802 59.4911 63.1142 172.9854 44 E 4.6078 8.7086 119.4941 57.1750 33.1926 175.3383 45 I 4.5532 7.9748 117.8158 59.9798 41.0193 173.1151 46 G 3.9981 8.8839 112.7198 43.2885 0.0000 172.6385 47 P 4.3085 0.0000 0.0000 62.7039 31.7749 175.8415 48 I 4.2685 8.1815 123.6469 61.4179 38.6959 174.8301 49 N 4.3028 8.7202 117.9645 54.7849 35.7034 173.1798 50 E 5.2661 8.1910 117.9437 54.5412 32.7852 174.4347 51 I 5.2081 8.5936 125.8224 59.5536 41.0190 174.7266 52 V 4.8649 9.0946 126.2289 61.4494 34.7159 173.7106 53 H 5.0373 8.7160 122.8249 53.6228 32.1292 172.3456 54 I 5.1672 8.4243 121.0823 59.3928 40.5931 174.4758 55 W 5.0640 9.2843 125.7026 54.7137 32.6200 174.0824 56 A 4.6945 8.1880 125.7362 50.1682 20.1200 176.2607 57 F 4.9504 9.0181 121.4255 55.4437 41.7022 175.8132 58 S 4.3483 9.2010 118.2572 61.0854 63.2858 174.8336 59 S 4.9730 7.7083 113.8789 55.6952 67.2253 174.5957 60 L 3.7192 7.7877 121.5004 57.2687 41.4110 179.1445 61 D 4.3384 7.8121 118.4359 56.6468 40.8178 177.9772 62 D 4.2963 7.7006 119.0058 56.9678 41.1242 178.1537 63 R 2.9691 7.5777 118.9905 59.0287 30.0812 178.2649 64 A 3.7768 7.6578 120.4763 55.0155 18.2970 179.2230 65 E 3.7942 7.9794 117.6085 59.5662 29.8004 179.3228 66 R 3.9078 8.1808 118.4405 59.3908 29.9275 179.3677 67 R 3.8051 7.9313 116.6611 58.6856 30.0218 178.6570 68 A 4.0843 7.5344 120.0158 55.1161 18.7280 179.5853 69 R 4.0390 7.7759 116.2727 58.8597 29.8648 179.3776 70 L 3.5545 7.3440 117.1846 55.2271 41.9799 177.5647 *72 A 4.2561 7.9935 121.4308 51.2481 20.6549 177.2611 73 D 4.4348 7.7221 116.1436 53.6908 41.5212 175.2901 74 P 4.4215 0.0000 0.0000 65.8312 31.0331 178.5300 75 R 4.0863 8.7428 118.5982 58.6441 29.8893 178.6077 76 W 4.4404 8.3550 128.5422 60.5348 30.5303 178.2094 77 L 3.9307 8.0212 117.4308 57.6488 41.1823 179.0745 78 S 4.2753 7.7893 114.1616 60.6795 63.0899 176.0533 79 F 4.2511 7.8052 123.6910 60.9677 39.2776 177.2914 80 L 3.1629 7.3500 118.8835 57.3711 41.2132 177.9294 81 P 4.1442 0.0000 0.0000 64.8809 31.2784 178.0426 82 K 4.0707 7.6639 116.6113 57.5151 32.3891 177.2581 83 I 4.5105 7.3315 110.2115 59.7097 38.9730 177.1933 84 R 3.7650 7.9250 121.0643 59.0166 29.8637 176.3830 85 D 4.7642 7.8277 114.2185 54.0573 41.7898 176.7891 86 L 4.2728 7.8196 120.2397 55.9604 42.3216 176.4891 87 I 4.4855 7.5465 119.4807 60.3187 37.8491 174.7516 88 E 4.4000 9.3221 125.6576 57.9500 31.0021 176.4441 89 V 4.6108 7.6352 117.6874 61.1857 35.2573 173.7638 90 A 5.6460 8.5081 126.4580 50.8454 22.6405 174.6054 91 E 4.9945 8.5578 114.3919 56.0263 32.2626 174.3966 92 N 5.7710 8.7931 117.4296 51.5632 40.9930 173.3751 93 K 4.7649 9.0212 117.8314 55.8546 36.3979 175.1111 94 I 5.3541 8.1793 121.6600 59.0387 39.7656 175.2416 *96 K 4.1558 8.3599 122.3268 55.5643 33.0729 174.3344 97 P 4.1726 0.0000 0.0000 62.1243 32.3709 176.2185 98 A 3.9570 7.8146 123.2514 51.4643 18.9930 178.7191 99 R 3.8107 8.1452 118.9198 58.8282 30.2049 177.9261 100 F 4.7882 6.9263 110.5151 56.4061 38.1767 175.1529 101 S 4.4604 7.4727 116.0073 57.1204 63.0261 172.4888 102 P 4.3842 0.0000 0.0000 65.5445 31.4545 176.4272 103 L 4.2369 7.6765 121.0689 54.9858 41.5684 176.6510 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 F 8.18 4.75 0.00 3.30 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 3 Y 8.78 4.79 0.00 3.10 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 4 E 10.62 5.12 0.00 2.25 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 0.00 2.42 2.40 0.00 5 I 9.15 4.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.93 0.00 0.00 6 R 8.66 5.07 0.00 1.26 1.64 0.00 3.15 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 7 T 8.91 4.90 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 1.25 0.00 0.00 8 Y 8.90 5.39 0.00 2.80 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 9 R 9.11 4.99 0.00 1.87 1.81 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 L 8.86 4.89 0.00 1.50 1.71 0.63 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.93 4.28 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 N 8.78 4.45 0.00 2.71 2.77 0.00 0.00 7.27 7.98 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 13 G 9.33 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.22 4.34 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 15 I 7.75 3.68 1.89 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 1.66 0.64 0.81 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.07 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 17 A 7.96 3.99 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 18 Y 8.37 3.95 0.00 3.12 3.25 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 19 L 8.58 4.05 0.00 1.64 1.63 0.32 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.98 3.88 0.00 1.96 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.42 7.81 21 V 7.69 3.67 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 0.91 0.00 0.00 1.04 0.00 0.00 22 V 7.74 3.50 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 0.73 0.00 0.00 0.57 0.00 0.00 23 E 7.70 3.79 0.00 1.97 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 2.28 2.30 0.00 24 D 8.21 4.53 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.70 4.63 0.00 2.08 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 2.25 2.26 0.00 26 G 7.35 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 0.00 0.00 0.00 27 I 7.98 3.79 1.79 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.92 0.00 0.00 28 E 8.05 3.98 0.00 2.00 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 2.38 2.33 0.00 29 I 7.69 3.69 2.16 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 1.58 0.87 1.08 0.00 0.00 30 Q 8.30 3.43 0.00 1.89 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 31 K 8.59 4.34 0.00 2.06 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.74 1.95 7.81 32 S 8.06 4.21 0.00 3.95 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 33 H 7.25 4.57 0.00 3.17 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.83 4.23 0.00 1.14 1.42 -0.26 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.62 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.98 4.52 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 37 L 8.24 3.35 0.00 0.65 1.20 -0.29 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.42 3.86 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 0.85 0.00 0.00 1.00 0.00 0.00 39 G 6.91 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 40 Y 7.66 4.64 0.00 2.71 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 41 F 9.42 5.46 0.00 2.95 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 42 F 8.24 5.69 0.00 3.11 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 43 S 8.80 4.28 0.00 3.98 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 44 E 8.71 4.61 0.00 1.76 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 2.14 2.35 0.00 45 I 7.97 4.55 1.84 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 1.34 0.77 0.90 0.00 0.00 46 G 8.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.17 2.03 0.00 3.67 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 2.12 0.00 48 I 8.18 4.27 1.90 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 1.44 0.69 0.95 0.00 0.00 49 N 8.72 4.30 0.00 2.95 3.07 0.00 0.00 6.46 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 50 E 8.19 5.27 0.00 2.08 1.81 0.00 0.00 0.00 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 2.44 0.00 51 I 8.59 5.21 1.84 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.29 1.03 0.00 0.00 52 V 9.09 4.86 2.24 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 1.10 0.00 0.00 0.99 0.00 0.00 53 H 8.72 5.04 0.00 2.60 1.62 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.42 5.17 1.83 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 1.27 0.83 1.13 0.00 0.00 55 W 9.28 5.06 0.00 3.21 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 56 A 8.19 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.02 4.95 0.00 2.94 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 58 S 9.20 4.35 0.00 4.04 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 59 S 7.71 4.97 0.00 4.05 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 60 L 7.79 3.72 0.00 1.32 1.42 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.34 0.00 2.63 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 62 D 7.70 4.30 0.00 2.76 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 63 R 7.58 2.97 0.00 0.80 1.57 0.00 2.61 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 64 A 7.66 3.78 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 65 E 7.98 3.79 0.00 2.21 1.91 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 2.27 2.31 0.00 66 R 8.18 3.91 0.00 1.99 2.10 0.00 3.49 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 67 R 7.93 3.81 0.00 1.64 1.85 0.00 2.96 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 68 A 7.53 4.08 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 69 R 7.78 4.04 0.00 1.98 1.99 0.00 3.15 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 1.63 1.81 0.00 70 L 7.34 3.55 0.00 1.26 1.44 -0.36 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.99 4.26 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 73 D 7.72 4.43 0.00 2.76 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 74 P 0.00 4.42 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.74 4.09 0.00 2.12 2.12 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 76 W 8.35 4.44 0.00 3.38 3.34 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 77 L 8.02 3.93 0.00 1.82 1.72 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.79 4.28 0.00 4.06 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 7.81 4.25 0.00 3.03 3.03 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 80 L 7.35 3.16 0.00 1.40 1.42 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.14 0.00 1.86 2.00 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 82 K 7.66 4.07 0.00 1.12 1.63 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.33 1.28 7.81 83 I 7.33 4.51 1.95 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 0.56 0.59 0.56 0.00 0.00 84 R 7.92 3.76 0.00 1.78 1.87 0.00 3.14 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 85 D 7.83 4.76 0.00 2.65 2.64 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 86 L 7.82 4.27 0.00 2.00 1.82 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.55 4.49 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.69 0.00 0.00 88 E 9.32 4.40 0.00 2.01 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 2.27 2.32 0.00 89 V 7.64 4.61 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 1.08 0.00 0.00 0.95 0.00 0.00 90 A 8.51 5.65 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 91 E 8.56 4.99 0.00 2.05 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 2.25 2.27 0.00 92 N 8.79 5.77 0.00 2.75 2.86 0.00 0.00 5.84 7.13 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 93 K 9.02 4.76 0.00 1.86 1.93 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 94 I 8.18 5.35 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.95 1.15 0.00 0.00 *96 K 8.36 4.16 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.47 7.81 97 P 0.00 4.17 0.00 2.12 1.91 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 98 A 7.81 3.96 0.18 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 0.00 0.00 99 R 8.15 3.81 0.00 1.85 2.04 0.00 3.21 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 100 F 6.93 4.79 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.47 4.46 0.00 3.63 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 0.00 102 P 0.00 4.38 0.00 2.07 2.10 0.00 3.66 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 2.01 2.11 0.00 103 L 7.68 4.24 0.00 1.29 1.34 0.82 0.88 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 * Residues marked with a * may have inaccurate shift predictions.