NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2813 8.4444 120.2305 55.6942 30.9213 175.1586 6 Q 3.7606 8.6901 124.1859 55.8401 29.3862 174.6690 7 I 3.9798 9.0833 127.0111 63.5539 39.4960 175.6692 8 L 4.3956 7.8690 118.9219 54.6492 42.5591 176.8397 9 V 4.3194 8.9423 121.9904 61.3003 33.3204 174.3084 10 L 5.1649 8.4332 127.3264 52.9907 44.3741 174.5975 11 D 5.0913 8.7141 123.8854 51.5192 43.4724 173.6931 12 P 4.6960 0.0000 0.0000 61.7938 32.1566 174.9308 13 P 4.4483 0.0000 0.0000 64.9792 31.8030 176.8341 14 S 4.7784 7.7464 109.5558 58.3850 68.5433 173.7198 15 D 5.3319 8.0617 119.4162 52.3621 44.3228 174.8915 16 L 4.5298 9.2003 123.7598 53.0154 43.7693 175.4479 17 K 5.1600 8.3959 123.4377 54.7078 34.3303 175.8002 18 F 4.8208 9.9091 123.4723 55.6218 41.8855 174.2096 19 K 4.6209 8.8222 126.3862 55.0892 32.7914 176.6630 20 G 2.5552 7.9644 115.9759 44.1829 0.0000 170.4366 21 P 4.1147 0.0000 0.0000 62.3991 32.2984 176.0927 22 F 4.8187 8.0662 115.6444 57.4303 39.8059 177.4708 23 T 4.0340 7.8888 112.3998 63.2132 69.0949 173.1178 24 D 5.0424 7.5145 120.1241 51.5330 44.7969 175.2266 25 V 4.0175 8.4171 120.8693 63.2694 32.2587 175.0733 26 V 4.5058 8.7089 126.8779 61.5009 34.0689 174.0965 27 T 5.3397 8.7294 124.1122 62.3098 70.8408 173.8986 28 T 4.6308 9.0674 121.3187 61.7852 72.7148 172.4359 29 N 5.3232 8.5377 120.8517 51.4904 41.0191 174.0065 30 L 4.6382 8.7846 125.5276 53.1624 44.7702 175.1730 31 K 4.4842 9.3038 127.2908 55.6182 33.8914 176.0075 32 L 4.9200 8.7997 125.1486 53.1130 44.3728 174.9835 33 Q 4.8156 9.1133 126.6447 54.3681 31.5444 174.1443 34 N 5.1798 9.2159 126.8649 51.6069 38.5113 173.3523 35 P 4.4475 0.0000 0.0000 63.5648 32.0534 177.1229 36 S 4.5894 8.0173 114.8272 57.7219 64.5308 173.3941 37 D 4.8737 8.4549 117.1425 53.1497 39.2699 175.9794 38 R 4.8021 7.6639 116.5752 54.6227 34.4477 175.3348 39 K 4.4739 8.6794 120.4737 56.6576 33.8478 176.1094 40 V 4.8486 8.8401 122.6782 61.4806 34.7296 174.2560 41 C 5.1871 9.0807 126.1682 59.0068 29.9811 172.7110 42 F 5.7923 9.0413 116.7101 55.3983 41.5630 173.3752 43 K 4.9076 9.1925 120.7367 54.9593 35.7998 174.7478 44 V 4.9728 8.7405 127.0751 61.3563 33.2904 174.9460 45 K 4.7576 9.1651 125.8777 55.1030 36.5404 175.0163 46 T 4.6539 7.9151 115.3381 60.7118 69.9304 173.8556 47 T 4.0388 8.2618 116.5142 62.6534 69.7075 174.6243 48 A 4.6528 7.4538 125.0996 49.6013 18.7063 174.7176 49 P 4.2776 0.0000 0.0000 65.2277 31.9122 179.7050 50 R 3.8150 7.8885 116.0974 58.0331 30.4093 177.1681 51 R 4.1460 7.9334 116.0875 56.5120 30.7111 175.2094 52 Y 5.3948 7.2795 114.1315 56.5179 42.5294 174.1695 53 C 4.9376 9.1672 119.2466 58.1376 30.9981 173.1056 54 V 4.9900 8.5199 122.4419 61.2472 33.8443 174.8048 55 R 4.7945 9.1729 126.8161 53.7666 33.6867 173.2211 56 P 4.9241 0.0000 0.0000 62.7999 32.3490 176.1027 57 N 4.9820 8.8901 117.6420 53.5975 38.6894 174.2652 58 S 4.3126 6.9262 112.4948 57.2416 65.7573 174.4480 59 G 3.6829 5.7660 106.2854 45.8288 0.0000 171.2809 60 V 4.9301 8.1466 118.1169 61.1486 34.9142 176.0574 61 I 4.6416 9.1314 127.6462 59.3170 39.9577 175.0490 62 D 4.8884 8.8636 127.3067 53.3099 42.1460 174.4491 63 P 4.5226 0.0000 0.0000 64.6688 31.4594 176.9266 64 G 3.9192 8.8399 110.3056 45.3411 0.0000 173.1858 65 S 4.7788 7.8311 115.9173 57.1236 65.8762 172.7211 66 I 5.1095 8.0436 119.7690 59.6522 40.8095 174.4715 67 V 4.5156 9.0021 122.1811 59.8401 35.0808 174.4882 68 T 4.7722 8.5210 121.4205 61.9531 70.2381 173.9531 69 V 4.2271 8.9665 127.6973 61.4797 33.7133 174.3388 70 S 4.9646 9.0179 123.3085 57.1369 64.0491 172.6783 71 V 4.6597 9.0072 128.1823 61.7343 33.4958 174.4048 72 M 5.0902 9.3531 130.1330 53.5690 33.6954 175.1184 73 L 4.3014 9.1493 128.1138 54.4564 43.1366 176.4191 74 Q 4.5818 8.3393 126.1919 54.8443 29.4929 174.5589 75 P 4.8917 0.0000 0.0000 63.5764 32.0011 175.2322 76 F 4.8122 8.3930 115.0911 56.0628 41.1652 174.0219 77 D 4.3244 8.8274 120.0130 54.4771 39.2399 175.2782 78 Y 4.1154 8.1350 126.2887 57.1001 39.4164 173.9908 79 D 4.5920 8.3983 127.5244 51.5562 41.3490 174.7710 80 P 3.8308 0.0000 0.0000 64.4457 31.3212 177.0640 81 N 4.4821 8.6051 115.2681 53.6957 38.8839 174.2561 82 E 4.4019 8.1590 120.8013 54.2413 30.5185 174.9927 83 K 4.3972 8.2634 127.3265 54.7575 33.7363 175.8898 84 S 3.8737 8.0906 119.0327 58.1571 62.6882 173.8004 85 K 4.3370 8.0558 126.0767 56.4331 32.9714 175.9262 86 H 4.6207 7.7927 116.1735 56.7342 29.9487 174.5730 87 K 5.2486 9.0643 120.1003 54.8774 36.9471 175.1565 88 F 5.2183 9.4880 119.8253 55.9938 43.2277 173.9790 89 M 5.2083 9.0955 120.3199 53.8946 35.8601 174.1033 90 V 4.7614 8.9262 126.3016 61.5674 33.7254 174.0125 91 Q 5.2688 9.1140 128.5568 54.8111 30.7672 175.2434 92 T 5.9886 9.3801 112.7775 59.5749 72.9746 172.3975 93 I 4.6526 7.9252 120.6247 59.4895 41.6335 173.7446 94 F 4.7488 8.4384 126.2695 57.1942 39.7220 175.0076 95 A 4.1594 9.0149 126.1376 51.3318 18.6203 176.1348 96 P 4.5080 0.0000 0.0000 61.3322 32.7007 174.9659 97 P 4.1785 0.0000 0.0000 65.8407 31.1140 178.1878 *100 S 4.4789 7.6872 111.6890 57.6483 64.4560 173.8475 101 D 4.8275 7.4398 116.8853 52.2649 44.8373 176.2407 102 M 4.1116 8.6446 125.8515 57.9675 32.3062 178.4490 103 E 4.0121 8.5815 118.9629 59.6931 29.7627 179.0269 104 A 4.0323 8.3355 119.9519 55.3220 17.9937 179.8255 105 V 3.3375 7.0672 115.0395 66.1256 31.4506 178.2486 106 W 4.4780 7.9907 118.7080 59.1887 28.6003 178.4886 107 K 4.2319 7.9069 117.8321 59.4090 32.4747 178.6612 108 E 4.1766 7.9648 117.8204 57.0113 29.6311 177.0836 109 A 4.2793 7.1098 122.1066 52.0877 18.9783 177.3660 110 K 4.3966 8.9581 123.0610 55.1353 33.4480 176.8086 111 P 4.3080 0.0000 0.0000 65.3786 31.5448 178.5056 112 D 4.4962 8.1393 116.7124 55.7606 39.2573 177.0905 113 E 4.2795 8.1975 118.5774 57.5450 30.0127 176.3042 114 L 4.8208 7.4975 118.5633 53.9424 42.9931 176.1854 115 M 4.9472 9.0519 122.0609 53.7037 35.6956 174.4668 116 D 5.3937 8.6229 120.1355 52.7811 45.1656 175.0333 117 S 4.8623 9.3195 117.7574 56.6824 66.5749 173.1452 118 K 5.1613 8.6876 122.0624 54.6839 34.8002 175.5314 119 L 5.0572 9.1261 123.1814 52.9970 45.9727 175.3846 120 R 4.7756 8.9305 123.6373 55.3661 31.7311 175.2987 121 C 5.1734 8.7537 124.0423 59.6530 29.6429 173.3865 122 V 4.4191 9.4982 121.7207 61.3990 34.6165 173.8768 123 F 5.7429 9.0141 126.7583 56.3267 40.2483 174.7599 124 E 4.9087 9.0990 124.7374 54.4972 32.8713 175.6767 125 M 4.2392 8.5616 122.2256 55.6723 32.6059 175.3427 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 E 8.44 4.28 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 2.23 2.33 0.00 6 Q 8.69 3.76 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 7 I 9.08 3.98 1.82 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 1.66 0.89 0.64 0.00 0.00 8 L 7.87 4.40 0.00 1.57 1.54 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.94 4.32 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 0.94 0.00 0.00 0.93 0.00 0.00 10 L 8.43 5.16 0.00 1.62 1.70 0.87 0.88 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 11 D 8.71 5.09 0.00 2.69 2.45 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 12 P 0.00 4.70 0.00 2.28 1.98 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 1.94 1.85 0.00 13 P 0.00 4.45 0.00 2.19 2.20 0.00 3.35 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.75 4.78 0.00 3.87 4.07 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 15 D 8.06 5.33 0.00 2.52 2.59 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 16 L 9.20 4.53 0.00 1.61 1.32 0.46 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.40 5.16 0.00 1.55 1.73 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 F 9.91 4.82 0.00 3.23 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 19 K 8.82 4.62 0.00 1.74 1.68 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 20 G 7.96 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 0.00 0.00 0.00 21 P 0.00 4.11 0.00 1.91 1.94 0.00 3.51 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 22 F 8.07 4.82 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.03 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 1.18 0.00 0.00 24 D 7.51 5.04 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.02 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 0.90 0.00 0.00 0.97 0.00 0.00 26 V 8.71 4.51 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 1.23 0.00 0.00 0.98 0.00 0.00 27 T 8.73 5.34 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 1.30 0.00 0.00 28 T 9.07 4.63 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 0.94 0.00 0.00 29 N 8.54 5.32 0.00 2.51 2.65 0.00 0.00 6.69 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 30 L 8.78 4.64 0.00 1.52 1.36 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.30 4.48 0.00 1.81 1.65 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 32 L 8.80 4.92 0.00 1.36 1.32 0.07 0.71 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 33 Q 9.11 4.82 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 34 N 9.22 5.18 0.00 2.87 2.95 0.00 0.00 6.60 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 35 P 0.00 4.45 0.00 2.24 2.16 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 36 S 8.02 4.59 0.00 4.14 4.07 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 37 D 8.45 4.87 0.00 2.78 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 38 R 7.66 4.80 0.00 1.73 1.83 0.00 2.73 0.00 0.00 2.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 39 K 8.68 4.47 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.47 7.81 40 V 8.84 4.85 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 1.04 0.00 0.00 1.05 0.00 0.00 41 C 9.08 5.19 0.00 2.60 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 42 F 9.04 5.79 0.00 3.19 3.19 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 43 K 9.19 4.91 0.00 1.35 0.93 0.00 1.13 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.10 7.81 44 V 8.74 4.97 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 1.07 0.00 0.00 1.20 0.00 0.00 45 K 9.17 4.76 0.00 1.59 1.52 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.24 7.81 46 T 7.92 4.65 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 0.97 0.00 0.00 47 T 8.26 4.04 4.18 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 1.14 0.00 0.00 48 A 7.45 4.65 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 49 P 0.00 4.28 0.00 2.19 2.27 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 50 R 7.89 3.82 0.00 1.76 1.98 0.00 3.16 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 51 R 7.93 4.15 0.00 1.60 1.27 0.00 3.00 0.00 0.00 2.99 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 52 Y 7.28 5.39 0.00 2.96 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 53 C 9.17 4.94 0.00 2.94 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 54 V 8.52 4.99 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 1.01 0.00 0.00 1.23 0.00 0.00 55 R 9.17 4.79 0.00 1.79 1.82 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 56 P 0.00 4.92 0.00 2.44 2.15 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 57 N 8.89 4.98 0.00 2.83 3.32 0.00 0.00 5.59 7.64 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 58 S 6.93 4.31 0.00 3.92 3.71 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 59 G 5.77 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 60 V 8.15 4.93 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 0.89 0.00 0.00 0.90 0.00 0.00 61 I 9.13 4.64 1.96 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 1.37 1.02 0.95 0.00 0.00 62 D 8.86 4.89 0.00 2.71 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 63 P 0.00 4.52 0.00 2.19 2.14 0.00 3.81 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 2.01 2.00 0.00 64 G 8.84 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 0.00 0.00 0.00 65 S 7.83 4.78 0.00 3.96 3.83 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 66 I 8.04 5.11 1.85 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 1.31 0.99 0.90 0.00 0.00 67 V 9.00 4.52 2.10 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 0.77 0.00 0.00 0.73 0.00 0.00 68 T 8.52 4.77 4.22 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 1.21 0.00 0.00 69 V 8.97 4.23 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 1.04 0.00 0.00 0.79 0.00 0.00 70 S 9.02 4.96 0.00 3.94 3.85 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 71 V 9.01 4.66 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 0.84 0.00 0.00 0.65 0.00 0.00 72 M 9.35 5.09 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 73 L 9.15 4.30 0.00 1.44 1.74 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.34 4.58 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 75 P 0.00 4.89 0.00 2.11 2.21 0.00 3.83 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 2.02 2.00 0.00 76 F 8.39 4.81 0.00 3.02 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 77 D 8.83 4.32 0.00 2.74 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 78 Y 8.14 4.12 0.00 2.58 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 79 D 8.40 4.59 0.00 2.63 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 80 P 0.00 3.83 0.00 2.19 2.11 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 81 N 8.61 4.48 0.00 2.77 2.87 0.00 0.00 6.83 7.70 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 82 E 8.16 4.40 0.00 1.83 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 2.21 2.20 0.00 83 K 8.26 4.40 0.00 1.73 1.64 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 84 S 8.09 3.87 0.00 2.72 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 85 K 8.06 4.34 0.00 1.66 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.40 7.81 86 H 7.79 4.62 0.00 3.22 3.23 0.00 5.63 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 87 K 9.06 5.25 0.00 1.62 1.73 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 88 F 9.49 5.22 0.00 2.79 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 89 M 9.10 5.21 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 90 V 8.93 4.76 2.10 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 0.97 0.00 0.00 0.95 0.00 0.00 91 Q 9.11 5.27 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.46 0.00 0.00 0.00 0.00 0.00 2.49 2.21 0.00 92 T 9.38 5.99 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 1.37 0.00 0.00 93 I 7.93 4.65 1.80 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 1.23 1.56 0.26 0.00 0.00 94 F 8.44 4.75 0.00 3.01 2.93 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 95 A 9.01 4.16 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 96 P 0.00 4.51 0.00 2.14 2.03 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 97 P 0.00 4.18 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 *100 S 7.69 4.48 0.00 3.87 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 0.00 101 D 7.44 4.83 0.00 2.72 2.45 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 0.00 102 M 8.64 4.11 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 103 E 8.58 4.01 0.00 2.22 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 2.38 2.52 0.00 104 A 8.34 4.03 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 0.00 105 V 7.07 3.34 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 0.20 0.00 0.00 0.81 0.00 0.00 106 W 7.99 4.48 0.00 3.46 3.16 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 0.00 107 K 7.91 4.23 0.00 1.99 2.00 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.50 7.81 108 E 7.96 4.18 0.00 2.16 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 0.00 2.34 2.45 0.00 109 A 7.11 4.28 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 0.00 110 K 8.96 4.40 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 111 P 0.00 4.31 0.00 2.20 2.12 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 112 D 8.14 4.50 0.00 2.81 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 0.00 113 E 8.20 4.28 0.00 2.08 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 2.36 2.36 0.00 114 L 7.50 4.82 0.00 1.79 1.66 1.04 1.11 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 0.00 115 M 9.05 4.95 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 116 D 8.62 5.39 0.00 2.50 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 0.00 117 S 9.32 4.86 0.00 3.69 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 0.00 118 K 8.69 5.16 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.44 7.81 119 L 9.13 5.06 0.00 1.58 1.57 0.91 0.69 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 0.00 120 R 8.93 4.78 0.00 1.89 1.95 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 121 C 8.75 5.17 0.00 3.01 3.28 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 0.00 122 V 9.50 4.42 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 1.08 0.00 0.00 0.98 0.00 0.00 123 F 9.01 5.74 0.00 3.12 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 0.00 124 E 9.10 4.91 0.00 2.11 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 2.27 2.30 0.00 125 M 8.56 4.24 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 * Residues marked with a * may have inaccurate shift predictions.