NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7419 8.1633 120.2779 55.3216 34.1741 173.9799 2 K 4.8356 9.0210 120.6524 53.8601 37.3280 173.3169 3 K 4.9272 9.8665 126.0745 54.9527 34.9302 174.5764 4 I 4.8835 8.9847 128.8573 59.9102 39.2556 174.2657 5 E 5.2899 9.2993 127.5377 54.5432 31.8887 174.9747 6 A 5.0379 9.0456 126.1405 50.0941 22.4621 174.6536 7 I 4.8440 8.5201 123.8558 59.6429 39.2850 175.0538 8 I 4.9121 8.5787 120.0274 58.5418 41.7519 175.1797 9 R 4.2505 8.2270 121.4948 55.5499 30.7274 176.3798 10 P 4.2845 0.0000 0.0000 65.6140 31.1519 178.7139 11 F 4.5324 8.0401 111.2823 58.7197 38.3701 176.5768 12 K 4.1341 7.0611 118.1531 56.6013 31.7565 178.0928 13 L 3.8761 7.7338 122.8479 58.3899 41.9747 178.4782 14 D 4.2882 8.0187 117.1835 57.3990 41.2151 177.6867 15 E 3.9525 8.1740 118.6411 59.3640 29.4157 179.4257 16 V 3.5010 7.7933 118.0958 65.8079 31.6588 177.6126 17 K 3.8008 8.1779 119.5956 59.8194 31.8852 178.4898 18 I 3.6495 7.9079 119.3951 64.4211 36.8826 178.2081 19 A 3.9801 8.1735 121.6289 55.1550 18.1804 179.7454 20 L 3.9403 8.1001 117.3852 58.0170 41.7517 179.8422 21 V 3.8506 7.6398 119.4332 65.6401 31.2628 177.8357 22 N 4.3775 8.3715 114.7180 55.7312 38.5077 175.5445 23 A 4.3142 7.5765 119.6870 51.8375 18.6750 178.0208 24 G 3.7991 8.4374 105.1957 46.2466 0.0000 174.4821 25 I 4.1539 7.7001 121.7734 59.9408 36.4015 174.3506 26 V 4.4622 8.5383 125.9089 58.4851 31.1857 173.3356 27 G 4.6498 7.7179 118.1565 45.1558 0.0000 169.2121 28 M 4.7817 7.8893 119.8697 54.8862 33.8932 174.0456 29 T 4.6841 8.5378 116.8545 61.7819 72.0875 173.0965 30 V 5.0486 8.5063 125.5812 61.1163 34.2528 174.5597 31 S 4.8233 8.8683 120.8091 56.6080 66.9995 172.5078 32 E 4.7224 8.6944 120.4863 55.9811 30.3990 176.1344 33 V 4.6338 8.7214 116.2159 60.0287 36.9488 174.0804 34 R 5.1629 8.3907 119.6844 54.9777 33.2808 175.3278 35 G 4.4984 9.3645 108.5613 45.8195 0.0000 171.5748 36 F 5.3000 8.1278 113.9369 55.1950 40.9200 175.0022 37 G 4.3621 8.6115 108.6771 45.2684 0.0000 175.6984 38 R 4.0410 8.8386 119.5716 58.9577 30.5674 177.2899 39 Q 4.3227 8.1423 115.0253 55.0805 29.2657 175.9723 40 K 3.2088 8.8907 117.2089 57.4294 29.8468 177.1053 41 G 4.0939 8.3811 103.5560 47.0649 0.0000 174.6174 42 Q 4.5701 7.3593 123.0804 56.2897 28.8623 177.1565 *51 Y 4.5883 8.6462 126.2184 57.4698 37.7191 177.3513 52 T 4.0885 8.9528 104.1574 62.4040 69.9110 174.2731 53 V 4.1482 7.9445 116.5228 59.6566 33.5513 175.0801 54 E 4.6821 8.1634 124.0079 54.5648 32.4650 174.9390 55 F 5.1561 8.7316 121.0231 56.6294 40.4424 175.2595 56 L 4.9404 9.3665 123.6115 52.8590 44.7951 175.8077 57 Q 4.6828 8.6443 120.8491 56.1502 29.5489 175.5942 58 K 4.8004 9.2672 122.1534 54.9252 37.5651 174.8195 59 L 5.2175 8.6834 120.6236 52.9711 45.0211 175.6681 60 K 4.8549 9.1517 124.4950 54.9237 34.1517 174.7119 61 L 5.1676 9.3539 128.4226 53.1485 44.2081 175.2172 62 E 5.0856 9.2754 123.4939 54.6281 32.6672 175.1516 63 I 4.6783 9.0740 125.4995 59.6076 40.9705 174.4072 64 V 4.7832 8.4894 127.4507 61.4107 32.9838 175.0672 65 V 4.6313 8.4559 119.8742 59.4049 36.3819 174.4092 66 E 4.3746 9.1863 122.2371 55.8741 30.2491 177.0024 67 D 4.4271 8.9553 123.9899 57.8315 40.6603 179.1888 68 A 4.1392 8.0000 118.6580 54.0778 18.7494 178.2851 69 Q 4.3856 8.1473 115.8141 55.8510 29.4014 177.7979 70 V 3.5360 7.5016 120.6381 66.2786 31.6274 177.3905 71 D 4.3807 8.1672 118.0036 57.8317 40.5546 179.0681 72 T 3.8603 7.7920 115.6448 66.5361 68.5894 176.7996 73 V 3.5698 7.6978 120.1967 66.0073 31.4886 178.1826 74 I 3.6817 7.8917 119.5537 64.3813 36.9462 177.9415 75 D 4.3578 8.1778 119.7724 57.6071 40.6592 179.3189 76 K 4.0139 8.2017 118.7589 59.3242 32.0085 179.6811 77 I 3.6388 7.8336 120.1318 64.2694 37.0762 178.3031 78 V 3.5035 7.8719 119.0406 66.3313 31.0495 177.9931 79 A 4.0185 7.7959 118.4946 54.8085 18.3101 179.1198 80 A 4.0759 8.0820 118.5782 54.8167 18.7555 179.0975 81 A 4.1091 8.2261 117.8907 52.6075 19.5106 178.0411 82 R 4.1206 7.4181 118.3322 56.7254 30.6028 176.2459 83 T 4.4813 9.0657 112.7091 60.7272 70.4700 175.1296 84 G 3.9978 9.2024 110.3351 44.9749 0.0000 173.2578 85 E 4.5578 7.8345 119.2977 54.2770 31.0691 175.7470 86 I 3.7805 8.1096 115.1166 62.9615 37.6966 176.2774 87 G 4.0338 8.9356 110.3153 45.3733 0.0000 174.8728 88 D 4.2296 7.3860 119.6087 55.8675 40.9398 175.1936 89 G 4.1890 6.1847 102.9287 44.6830 0.0000 172.4801 90 K 4.4045 8.0973 118.4051 55.0481 35.5701 174.6366 91 I 4.6565 7.8306 126.4938 59.3354 40.0451 174.7937 92 F 5.0022 9.0712 125.0157 55.6962 42.0886 174.0551 93 V 4.9849 8.6553 123.8830 61.2086 33.2378 174.7446 94 S 4.9217 8.9377 121.3860 55.9271 66.8618 171.5575 95 P 4.7996 0.0000 0.0000 62.7208 32.3459 175.4489 96 V 4.3584 8.0249 120.7364 61.5827 33.1110 175.2944 97 D 4.5768 8.9208 127.3185 56.5321 41.4865 176.7757 98 Q 4.7300 7.6603 117.3764 54.9334 32.2305 173.0358 99 T 4.7747 8.9623 121.1273 61.8586 71.9100 173.2594 100 I 4.9990 8.0958 125.0301 59.6058 40.9820 174.6577 101 R 4.1331 8.9620 128.7934 55.8082 29.9019 177.3512 102 I 3.7093 8.5830 127.7576 64.4701 37.5460 178.4035 103 R 4.0578 8.0853 119.3497 58.5245 30.1045 176.8432 104 T 4.3270 7.4117 102.8516 60.6620 70.3963 175.5042 105 G 3.9474 8.3956 109.4739 45.1143 0.0000 173.6065 106 E 4.1364 7.8335 119.5776 56.2346 29.8336 176.1154 107 K 5.0715 8.2623 120.3248 55.7272 36.1435 177.2029 108 N 4.0870 8.6532 119.8852 54.0593 38.2115 176.8672 109 A 4.2863 8.8202 129.7451 55.6988 18.2810 180.0695 110 D 4.3196 7.7753 113.9643 57.3704 40.9269 177.7858 111 A 4.1873 7.7239 120.2887 53.8101 18.7188 177.9720 112 I 4.1734 7.5992 117.7702 63.3095 38.6497 177.5415 *113 S 4.2777 7.8009 115.1704 57.6983 62.7764 176.0070 114 A 4.2548 8.4139 124.2265 52.4300 18.2891 177.6373 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 1 M 8.16 4.74 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 9.02 4.84 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 3 K 9.87 4.93 0.00 1.81 1.67 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 I 8.98 4.88 1.87 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 1.22 0.36 0.89 0.00 0.00 5 E 9.30 5.29 0.00 2.10 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 2.30 2.36 0.00 6 A 9.05 5.04 1.14 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 0.00 0.00 7 I 8.52 4.84 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.94 0.00 0.00 8 I 8.58 4.91 1.75 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 1.17 0.86 0.83 0.00 0.00 9 R 8.23 4.25 0.00 1.26 1.58 0.00 2.88 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 10 P 0.00 4.28 0.00 2.24 2.14 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 11 F 8.04 4.53 0.00 3.15 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 12 K 7.06 4.13 0.00 1.62 1.69 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.48 1.37 7.81 13 L 7.73 3.88 0.00 1.85 1.67 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.29 0.00 2.84 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 15 E 8.17 3.95 0.00 2.05 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 2.41 2.39 0.00 16 V 7.79 3.50 2.28 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 1.03 0.00 0.00 0.92 0.00 0.00 17 K 8.18 3.80 0.00 1.84 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 18 I 7.91 3.65 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.91 0.00 0.00 19 A 8.17 3.98 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 20 L 8.10 3.94 0.00 1.69 1.71 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.64 3.85 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 1.34 0.00 0.00 0.97 0.00 0.00 22 N 8.37 4.38 0.00 2.82 2.87 0.00 0.00 7.01 8.09 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 23 A 7.58 4.31 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 24 G 8.44 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 25 I 7.70 4.15 1.93 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 1.32 1.07 0.90 0.00 0.00 26 V 8.54 4.46 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 0.82 0.00 0.00 0.93 0.00 0.00 27 G 7.72 4.65 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 0.00 0.00 0.00 28 M 7.89 4.78 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 29 T 8.54 4.68 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 1.21 0.00 0.00 30 V 8.51 5.05 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.87 4.82 0.00 3.88 3.88 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 32 E 8.69 4.72 0.00 1.87 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 2.29 2.34 0.00 33 V 8.72 4.63 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 0.74 0.00 0.00 1.00 0.00 0.00 34 R 8.39 5.16 0.00 1.54 1.93 0.00 3.26 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 35 G 9.36 4.50 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 0.00 0.00 0.00 36 F 8.13 5.30 0.00 2.96 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 37 G 8.61 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 38 R 8.84 4.04 0.00 1.85 2.05 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 39 Q 8.14 4.32 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.27 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 40 K 8.89 3.21 0.00 1.84 1.55 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 1.22 7.81 41 G 8.38 4.09 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 0.00 42 Q 7.36 4.57 0.00 2.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 *51 Y 8.65 4.59 0.00 2.36 1.59 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 52 T 8.95 4.09 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 1.18 0.00 0.00 53 V 7.94 4.15 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 0.50 0.00 0.00 -0.11 0.00 0.00 54 E 8.16 4.68 0.00 1.85 1.83 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 2.13 2.36 0.00 55 F 8.73 5.16 0.00 3.04 3.05 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 56 L 9.37 4.94 0.00 1.63 1.62 0.98 0.54 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 57 Q 8.64 4.68 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 58 K 9.27 4.80 0.00 1.63 1.76 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.59 7.81 59 L 8.68 5.22 0.00 1.55 1.52 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.15 4.85 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 L 9.35 5.17 0.00 1.74 1.54 0.90 0.40 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 62 E 9.28 5.09 0.00 1.85 1.83 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 2.23 2.26 0.00 63 I 9.07 4.68 1.87 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 1.11 0.68 0.91 0.00 0.00 64 V 8.49 4.78 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 0.84 0.00 0.00 0.93 0.00 0.00 65 V 8.46 4.63 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 0.67 0.00 0.00 0.93 0.00 0.00 66 E 9.19 4.37 0.00 2.15 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 2.30 2.32 0.00 67 D 8.96 4.43 0.00 2.72 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 68 A 8.00 4.14 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 69 Q 8.15 4.39 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 70 V 7.50 3.54 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 1.03 0.00 0.00 0.99 0.00 0.00 71 D 8.17 4.38 0.00 2.72 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 72 T 7.79 3.86 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 1.20 0.00 0.00 73 V 7.70 3.57 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 1.02 0.00 0.00 0.99 0.00 0.00 74 I 7.89 3.68 1.85 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 1.49 0.53 0.88 0.00 0.00 75 D 8.18 4.36 0.00 2.85 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 76 K 8.20 4.01 0.00 1.75 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.78 7.81 77 I 7.83 3.64 1.83 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 1.37 0.60 0.85 0.00 0.00 78 V 7.87 3.50 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 0.98 0.00 0.00 0.91 0.00 0.00 79 A 7.80 4.02 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 80 A 8.08 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 81 A 8.23 4.11 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 82 R 7.42 4.12 0.00 1.93 1.84 0.00 3.20 0.00 0.00 3.27 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 83 T 9.07 4.48 4.33 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 1.37 0.00 0.00 84 G 9.20 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 85 E 7.83 4.56 0.00 2.07 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 2.30 2.41 0.00 86 I 8.11 3.78 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.92 0.00 0.00 87 G 8.94 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 88 D 7.39 4.23 0.00 2.66 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 89 G 6.18 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 0.00 0.00 0.00 0.00 90 K 8.10 4.40 0.00 1.67 1.11 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.85 1.28 7.81 91 I 7.83 4.66 1.70 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 1.22 0.62 0.83 0.00 0.00 92 F 9.07 5.00 0.00 2.90 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 V 8.66 4.98 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 0.84 0.00 0.00 0.94 0.00 0.00 94 S 8.94 4.92 0.00 3.89 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 95 P 0.00 4.80 0.00 2.10 2.09 0.00 3.70 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 1.98 1.96 0.00 96 V 8.02 4.36 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 0.84 0.00 0.00 0.93 0.00 0.00 97 D 8.92 4.58 0.00 2.70 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 98 Q 7.66 4.73 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 99 T 8.96 4.77 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 1.21 0.00 0.00 100 I 8.10 5.00 1.87 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 1.23 0.47 0.91 0.00 0.00 101 R 8.96 4.13 0.00 1.88 1.80 0.00 3.28 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 8.58 3.71 1.87 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 1.30 0.68 0.91 0.00 0.00 103 R 8.09 4.06 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.41 4.33 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 1.21 0.00 0.00 105 G 8.40 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.83 4.14 0.00 2.01 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 2.33 2.28 0.00 107 K 8.26 5.07 0.00 1.78 1.67 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.54 7.81 108 N 8.65 4.09 0.00 2.87 1.97 0.00 0.00 6.94 6.68 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 0.00 109 A 8.82 4.29 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 0.00 110 D 7.78 4.32 0.00 2.87 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 0.00 111 A 7.72 4.19 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 0.00 112 I 7.60 4.17 1.87 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 1.27 0.81 0.91 0.00 0.00 *113 S 7.80 4.28 0.00 3.65 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 0.00 114 A 8.41 4.25 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 * Residues marked with a * may have inaccurate shift predictions.