NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4123 8.3044 120.3279 54.7943 33.4784 174.1804 2 E 3.8665 8.3098 120.6514 54.9583 30.1989 174.5695 3 A 4.0297 9.3636 129.4581 52.7322 19.8252 177.2042 4 L 3.9870 8.5501 123.1004 56.4843 41.9089 178.6069 5 G 3.8871 9.7282 104.2297 44.7480 0.0000 172.3275 6 A 4.5594 7.2940 116.3383 50.8674 22.0797 176.4280 7 D 4.6714 8.7247 121.7769 53.5920 42.3607 175.6923 8 V 4.6200 8.4178 123.2360 61.3800 33.9870 174.9604 9 T 4.4134 7.8343 122.0501 61.9349 69.0018 174.6217 10 Q 3.9329 8.8485 126.2003 56.9176 28.7823 177.4541 11 G 3.9685 9.1015 110.6095 46.4749 0.0000 172.8592 12 L 5.0425 8.3741 120.8350 52.9813 45.5111 175.0905 13 E 5.0863 8.6588 118.9290 53.9566 34.5065 175.1006 14 K 4.0097 8.3379 123.2098 58.2314 31.9334 176.7681 15 G 4.0894 9.2578 116.3600 45.4579 0.0000 174.1872 16 S 4.3045 8.3190 116.4914 58.7543 64.2134 173.3235 17 L 5.1495 8.4296 122.8484 53.1762 43.2439 175.6589 18 I 4.6602 8.8074 117.2352 59.0326 41.7038 174.4248 19 T 4.4183 8.5171 118.6823 63.2512 69.9081 174.4143 20 C 4.7115 8.5536 126.6716 57.1719 31.2298 174.0707 21 A 4.5251 8.2173 133.8718 50.3263 15.7297 174.6350 22 D 5.0894 7.6089 119.3217 53.5131 42.2312 175.6969 23 N 4.9966 8.3717 115.1642 52.9489 37.5773 176.6978 24 T 3.8313 7.9157 111.1759 63.9447 69.1935 175.0722 25 G 3.9537 7.7306 109.9595 45.0167 0.0000 172.7799 26 A 4.8367 7.3923 123.1008 51.0719 20.4743 176.6352 27 R 4.3851 9.0535 122.5985 57.6277 32.0606 175.9802 28 E 5.1493 8.0428 119.1930 54.2224 32.6386 174.1545 29 L 5.2223 8.8972 125.9681 52.7505 45.5873 175.1605 30 K 4.9727 8.7852 124.1532 54.3147 34.6849 175.4054 31 V 3.8710 8.7607 128.8683 63.6006 31.9403 175.7686 32 I 4.2436 8.6203 128.1422 62.8046 39.1071 175.9057 33 S 4.7012 7.7728 115.1510 57.2184 68.1041 173.1464 34 V 4.5885 8.1984 120.8846 61.0084 33.7339 174.4045 35 H 4.2130 8.9802 128.5963 57.9468 29.9736 175.2420 36 G 3.8698 8.6870 113.6744 45.9803 0.0000 172.1826 37 Y 4.5267 7.7832 120.3574 56.0049 40.0262 175.2080 38 S 4.2390 7.1257 120.1548 56.7336 65.5211 173.3312 39 G 4.0621 8.0102 126.6893 45.4919 0.0000 172.6285 40 T 4.5440 8.1523 117.6111 59.7543 70.4869 172.6441 41 K 3.9983 8.4606 125.6064 58.4194 32.1999 176.7194 42 N 4.6081 9.0262 122.2925 53.3104 36.9222 174.4368 43 R 4.1662 7.7202 118.7790 55.8434 30.8119 175.3642 44 H 4.5728 8.6347 122.7512 54.3992 29.6205 173.1588 45 P 4.5441 0.0000 0.0000 63.3327 31.8279 175.3494 46 K 4.8525 8.0020 123.7973 55.4619 34.5310 175.7641 47 A 4.6510 9.0417 123.4422 50.5697 23.1103 175.3974 48 G 4.1156 9.0239 106.1144 44.5713 0.0000 171.4755 49 L 4.1986 8.7037 122.3124 56.8080 42.1496 177.4725 50 G 4.1474 9.0030 115.0183 45.2344 0.0000 173.3495 51 D 4.7947 8.0150 119.5866 53.8634 42.7512 175.1542 52 K 4.8631 8.6533 122.2814 54.8976 34.1351 175.0614 53 I 5.0379 8.7973 120.6877 59.3643 41.3286 174.6611 54 T 4.6241 8.7034 120.6395 63.2605 70.1136 174.1061 55 V 5.0271 9.0895 123.9580 61.5685 35.7796 173.4566 56 S 5.2394 8.8520 119.1348 56.4414 66.4953 173.3167 57 V 4.3166 8.1623 122.0743 62.8210 31.6592 176.6370 58 T 4.0468 8.6529 125.8223 65.9951 68.9419 175.6208 59 K 4.5751 9.1287 119.6880 53.8690 36.1127 177.2243 60 G 3.8147 8.3155 109.5415 45.2864 0.0000 172.2065 61 T 4.0765 7.6766 110.0641 60.7459 69.4390 173.3947 62 P 4.2710 0.0000 0.0000 66.2827 31.3447 178.4922 63 E 4.1097 8.0328 115.6510 59.5518 29.7879 178.7108 64 M 4.1652 7.7056 117.3900 56.8596 32.3817 176.9570 65 R 3.9752 7.6747 118.2031 58.0027 30.5741 177.1294 66 R 4.0843 8.6212 121.0998 56.6829 29.8109 176.9459 67 Q 4.1630 7.6369 117.1118 55.8109 30.1332 175.6478 68 V 4.4155 8.2986 122.7224 61.6580 32.5003 174.5674 69 L 4.9540 8.9312 127.6498 52.9519 46.4155 175.8008 70 E 4.9307 8.5110 118.8353 55.9332 31.9310 175.0777 71 A 4.8385 8.6375 122.0447 51.1984 23.6953 175.1637 72 V 4.4876 8.1591 118.9181 60.7701 34.4212 174.8872 73 V 3.8674 8.6078 128.6306 63.2052 31.8334 176.2274 74 V 3.9166 8.9621 128.8701 64.2876 33.2469 175.7709 75 R 4.1584 7.4158 117.1350 54.3099 34.8291 174.2490 76 Q 4.9434 8.0712 117.6227 55.1835 31.6073 175.8612 77 R 4.1776 9.0738 120.6602 59.1329 30.4454 177.8464 78 K 4.1876 7.8831 118.6597 55.5867 31.7955 175.3234 79 P 4.8674 0.0000 0.0000 62.8683 32.7303 175.1058 80 I 4.8505 8.6994 115.2619 59.1705 41.3706 173.9654 81 R 4.9315 8.9831 124.7172 55.0490 31.8325 175.5947 82 R 4.7104 8.7742 125.4777 54.3728 31.6810 175.7878 83 P 4.1628 0.0000 0.0000 65.8061 31.4323 176.8685 84 D 4.6619 8.1112 115.2125 52.9865 39.5420 176.0490 85 G 4.2183 8.7667 111.3205 46.1219 0.0000 175.0351 86 T 3.9491 7.8095 115.3735 64.3262 69.3906 173.8380 87 R 4.8954 8.4816 124.0084 55.2898 32.1156 175.9857 88 V 4.4948 8.8174 121.8948 61.0242 34.6886 174.4322 89 K 4.9526 8.3683 125.3838 55.4204 35.9745 175.2026 90 F 4.7171 8.6051 120.0946 55.7341 41.1817 175.5842 91 E 4.1501 9.0598 119.7675 58.7292 29.7015 174.8612 92 D 4.7289 7.7341 115.6031 52.8423 42.6154 173.5815 93 N 5.2508 8.6979 114.8180 51.7496 41.1113 174.1687 94 A 5.2198 8.9276 124.0916 50.6144 23.3400 174.7546 95 A 4.9985 9.1862 121.3907 50.1337 23.5086 175.1170 96 V 4.5053 8.2184 119.7833 60.7380 33.9843 175.3798 97 I 4.2797 8.3527 128.7215 61.7626 38.0790 175.3135 98 V 4.8954 8.3684 124.7763 61.5065 35.2503 174.9967 99 D 4.8552 8.2729 124.3392 51.9145 41.8014 176.3650 100 E 3.9258 8.7860 118.3364 59.3780 28.5872 177.9341 101 N 4.7391 8.7274 114.8070 52.5907 38.6838 175.2815 102 E 3.6797 7.9768 115.9893 57.3155 27.7213 173.6528 103 D 5.1947 7.8414 116.3753 51.1568 42.1229 174.5428 104 P 4.6798 0.0000 0.0000 63.1818 31.6023 176.4608 105 R 3.9265 8.5846 122.6840 59.1042 30.2866 176.9822 106 G 3.9812 7.6945 105.1622 45.1728 0.0000 172.0723 107 T 4.4124 8.7012 114.3843 63.9217 70.2426 175.0396 108 E 4.8062 8.0889 119.2332 54.3824 33.4226 175.0510 109 L 4.9424 8.5379 122.6678 53.2970 43.7706 175.8557 110 K 4.4645 8.3535 122.0145 55.6315 34.1736 177.3189 111 G 3.9585 8.8843 112.7190 43.8125 0.0000 170.8140 112 P 4.8296 0.0000 0.0000 62.9651 32.4058 175.4561 113 I 4.7329 8.2367 118.4083 59.4448 42.1995 174.6998 114 A 4.9037 8.1613 126.8884 51.5934 19.1636 179.1749 115 R 3.9550 9.0219 119.8144 59.4859 29.4468 179.3951 116 E 3.9887 8.1718 118.9579 59.1212 29.5471 179.2199 117 V 3.6474 7.8048 117.6524 65.9031 31.5326 177.4597 118 A 4.0385 7.6748 119.1251 55.4409 18.2314 179.1141 119 Q 4.0215 7.7518 116.2858 59.3507 29.2549 178.1606 120 R 3.9289 7.6066 117.8714 57.8895 31.3560 176.6348 121 F 4.7765 8.3375 120.1358 54.6935 38.9376 175.8308 122 G 3.8128 8.6067 112.1155 47.9658 0.0000 172.4904 123 S 4.3588 8.0792 117.6578 60.2690 62.7353 176.6147 124 V 3.5769 7.7887 120.8031 65.6314 31.6961 177.3227 125 A 4.1908 7.9710 120.8239 54.8819 19.0041 179.5477 126 S 4.4969 8.4260 112.8415 57.2022 62.1129 174.7109 127 A 4.4344 7.3487 119.5437 53.5859 24.7301 176.9730 128 A 4.2334 8.2255 120.6506 52.1738 19.0510 177.9050 129 T 4.1253 8.6448 120.2350 66.0538 68.8001 175.0034 130 M 4.9070 7.8326 119.4436 53.4585 36.0821 175.1829 131 I 4.8069 8.3446 122.1525 59.8139 40.7057 175.4586 132 V 4.0178 8.8594 127.2080 62.8408 31.5343 175.5510 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 8.30 4.41 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.31 3.87 0.00 1.94 1.74 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 2.24 2.33 0.00 3 A 9.36 4.03 1.25 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 4 L 8.55 3.99 0.00 1.65 1.75 0.95 1.01 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 5 G 9.73 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 6 A 7.29 4.56 1.20 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 0.00 0.00 7 D 8.72 4.67 0.00 2.64 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 8 V 8.42 4.62 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 0.86 0.00 0.00 1.01 0.00 0.00 9 T 7.83 4.41 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 1.22 0.00 0.00 10 Q 8.85 3.93 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 11 G 9.10 3.97 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 0.00 0.00 0.00 12 L 8.37 5.04 0.00 1.60 1.51 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.66 5.09 0.00 1.88 1.79 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 2.21 2.23 0.00 14 K 8.34 4.01 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 15 G 9.26 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 16 S 8.32 4.30 0.00 3.85 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 17 L 8.43 5.15 0.00 1.49 1.69 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.81 4.66 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.88 0.00 0.00 19 T 8.52 4.42 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 1.19 0.00 0.00 20 C 8.55 4.71 0.00 2.96 3.09 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 21 A 8.22 4.53 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 22 D 7.61 5.09 0.00 2.79 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 23 N 8.37 5.00 0.00 2.85 3.02 0.00 0.00 5.72 7.22 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 24 T 7.92 3.83 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 1.25 0.00 0.00 25 G 7.73 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 26 A 7.39 4.84 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 27 R 9.05 4.39 0.00 1.85 1.95 0.00 3.07 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.04 5.15 0.00 2.00 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 2.25 2.43 0.00 29 L 8.90 5.22 0.00 1.55 1.48 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.79 4.97 0.00 1.76 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.76 3.87 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 0.75 0.00 0.00 0.94 0.00 0.00 32 I 8.62 4.24 1.97 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 0.93 0.91 0.00 0.00 33 S 7.77 4.70 0.00 3.74 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 34 V 8.20 4.59 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 0.96 0.00 0.00 0.83 0.00 0.00 35 H 8.98 4.21 0.00 3.18 3.38 0.00 6.09 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 36 G 8.69 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.78 4.53 0.00 2.93 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 38 S 7.13 4.24 0.00 3.66 3.46 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 39 G 8.01 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 0.00 0.00 0.00 40 T 8.15 4.54 4.23 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 1.23 0.00 0.00 41 K 8.46 4.00 0.00 1.75 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 9.03 4.61 0.00 2.96 3.04 0.00 0.00 7.08 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 43 R 7.72 4.17 0.00 1.83 2.05 0.00 3.38 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 44 H 8.63 4.57 0.00 3.32 3.21 0.00 5.77 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 45 P 0.00 4.54 0.00 2.11 2.44 0.00 3.73 0.00 0.00 4.01 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 46 K 8.00 4.85 0.00 1.66 1.76 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.19 1.19 7.81 47 A 9.04 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.02 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 49 L 8.70 4.20 0.00 1.60 1.64 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 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 0.00 0.00 0.00 0.00 51 D 8.01 4.79 0.00 2.77 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 52 K 8.65 4.86 0.00 1.93 1.71 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.39 7.81 53 I 8.80 5.04 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.88 0.00 0.00 54 T 8.70 4.62 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 1.21 0.00 0.00 55 V 9.09 5.03 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 1.07 0.00 0.00 0.89 0.00 0.00 56 S 8.85 5.24 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 57 V 8.16 4.32 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 0.94 0.00 0.00 0.91 0.00 0.00 58 T 8.65 4.05 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 1.30 0.00 0.00 59 K 9.13 4.58 0.00 1.65 1.64 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.32 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.68 4.08 4.23 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 1.20 0.00 0.00 62 P 0.00 4.27 0.00 2.03 2.18 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 2.20 0.00 63 E 8.03 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.71 4.17 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 65 R 7.67 3.98 0.00 1.92 1.85 0.00 3.34 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 66 R 8.62 4.08 0.00 2.03 2.09 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.64 4.16 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.30 4.42 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.93 4.95 0.00 1.53 1.47 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.51 4.93 0.00 1.87 1.78 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 2.32 2.29 0.00 71 A 8.64 4.84 1.12 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 72 V 8.16 4.49 1.70 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 0.59 0.00 0.00 -0.33 0.00 0.00 73 V 8.61 3.87 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 0.93 0.00 0.00 0.91 0.00 0.00 74 V 8.96 3.92 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 0.76 0.00 0.00 0.92 0.00 0.00 75 R 7.42 4.16 0.00 1.43 0.96 0.00 3.16 0.00 0.00 3.59 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.28 0.00 76 Q 8.07 4.94 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 77 R 9.07 4.18 0.00 1.87 2.06 0.00 3.18 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 78 K 7.88 4.19 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.87 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.94 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 80 I 8.70 4.85 2.03 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 1.38 1.30 0.99 0.00 0.00 81 R 8.98 4.93 0.00 1.87 1.83 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 1.55 1.77 0.00 82 R 8.77 4.71 0.00 1.91 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 83 P 0.00 4.16 0.00 2.03 2.16 0.00 3.67 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 2.04 2.16 0.00 84 D 8.11 4.66 0.00 2.78 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 85 G 8.77 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 0.00 0.00 0.00 0.00 86 T 7.81 3.95 4.23 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 1.19 0.00 0.00 87 R 8.48 4.90 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 88 V 8.82 4.49 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 0.81 0.00 0.00 0.89 0.00 0.00 89 K 8.37 4.95 0.00 1.95 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.39 7.81 90 F 8.61 4.72 0.00 3.22 3.08 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 91 E 9.06 4.15 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 2.31 2.26 0.00 92 D 7.73 4.73 0.00 2.68 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 93 N 8.70 5.25 0.00 2.62 2.71 0.00 0.00 6.49 7.12 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 94 A 8.93 5.22 1.15 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 0.00 0.00 0.00 95 A 9.19 5.00 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 96 V 8.22 4.51 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 0.90 0.00 0.00 0.90 0.00 0.00 97 I 8.35 4.28 1.83 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 1.07 0.60 0.90 0.00 0.00 98 V 8.37 4.90 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 0.69 0.00 0.00 0.77 0.00 0.00 99 D 8.27 4.86 0.00 2.94 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 0.00 100 E 8.79 3.93 0.00 1.94 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 0.00 2.30 2.34 0.00 101 N 8.73 4.74 0.00 3.02 2.81 0.00 0.00 6.93 8.01 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 0.00 102 E 7.98 3.68 0.00 2.25 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 0.00 2.27 2.32 0.00 103 D 7.84 5.19 0.00 2.97 2.57 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 0.00 0.00 0.00 0.00 104 P 0.00 4.68 0.00 2.15 2.05 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 105 R 8.58 3.93 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.69 3.98 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 0.00 0.00 0.00 107 T 8.70 4.41 4.23 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 1.21 0.00 0.00 108 E 8.09 4.81 0.00 1.86 1.78 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 2.27 2.29 0.00 109 L 8.54 4.94 0.00 1.51 1.56 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.35 4.46 0.00 1.63 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 G 8.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.83 0.00 2.29 2.18 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 113 I 8.24 4.73 2.01 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 0.72 0.92 0.00 0.00 114 A 8.16 4.90 1.47 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 0.00 0.00 115 R 9.02 3.96 0.00 2.09 2.26 0.00 2.80 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 1.66 1.72 0.00 116 E 8.17 3.99 0.00 2.12 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 2.42 2.49 0.00 117 V 7.80 3.65 2.27 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 1.12 0.00 0.00 1.02 0.00 0.00 118 A 7.67 4.04 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 0.00 119 Q 7.75 4.02 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 120 R 7.61 3.93 0.00 1.65 1.72 0.00 3.01 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 121 F 8.34 4.78 0.00 3.13 2.90 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 0.00 122 G 8.61 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.08 4.36 0.00 4.08 4.17 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 0.00 124 V 7.79 3.58 2.37 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 0.86 0.00 0.00 0.89 0.00 0.00 125 A 7.97 4.19 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 0.00 126 S 8.43 4.50 0.00 4.01 4.08 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 0.00 127 A 7.35 4.43 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 0.00 128 A 8.23 4.23 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 0.00 129 T 8.64 4.13 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 0.00 130 M 7.83 4.91 0.00 1.95 1.94 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 2.58 2.54 0.00 131 I 8.34 4.81 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 1.26 0.62 0.95 0.00 0.00 132 V 8.86 4.02 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 0.87 0.00 0.00 0.99 0.00 0.00