NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3197 0.0000 0.0000 62.0081 32.6478 176.0285 17 A 3.8308 8.6127 123.8795 52.2581 19.1073 176.3231 18 R 4.6115 9.1029 121.1557 54.0493 33.6103 171.0148 19 I 4.6509 8.4230 124.9145 60.4855 38.0438 175.6492 20 T 4.7385 8.9387 116.2647 59.7851 72.1117 172.8572 21 L 5.3534 8.6148 125.2419 54.0141 44.7672 174.9543 22 T 4.9043 8.8237 116.3844 60.2581 72.7211 171.9767 23 Y 5.3660 8.3035 120.3707 56.2021 42.7492 173.3156 24 K 4.5782 8.3868 128.7162 54.7795 34.8169 175.7789 25 E 4.1059 8.9537 125.9703 57.3109 30.3158 174.0880 26 G 4.1771 8.5353 111.4209 44.5455 0.0000 173.4959 27 A 4.3013 8.4959 122.7052 51.1578 19.1213 176.1323 28 P 4.3410 0.0000 0.0000 62.8067 32.0054 176.1442 29 I 4.1896 7.9241 122.0402 60.0716 38.4140 175.5180 30 T 4.2418 8.1567 122.1764 62.5296 69.3517 174.3870 31 I 4.0806 8.0407 127.4018 60.7375 38.1368 175.9749 32 M 4.3478 8.7901 125.5115 54.3979 32.6791 176.8907 33 D 4.2824 8.5934 119.5327 57.1450 41.2797 176.5814 34 N 4.5818 8.1340 113.9869 52.5142 37.7764 175.7371 35 G 3.8104 8.6337 108.2609 45.6640 0.0000 172.6778 36 N 5.0008 8.1628 118.8814 51.3856 41.4281 172.8488 37 I 4.6452 7.6315 111.2535 58.5148 40.3672 174.5094 38 D 4.5233 8.1911 120.7486 53.9026 41.8775 175.6442 39 T 4.3554 8.0202 112.4097 61.8376 70.0708 174.7186 40 E 3.8119 8.9933 120.9801 56.7255 28.0589 174.9445 41 L 4.0023 7.6687 120.0406 54.8442 42.9184 176.5904 42 L 4.3651 8.3837 125.2849 54.7894 41.4558 176.3915 43 V 3.7105 9.2486 128.8550 65.6653 32.8643 175.5729 44 G 4.2037 7.3352 104.8094 46.7835 0.0000 171.9036 45 T 5.0821 7.8240 116.3910 61.5501 71.4654 173.8769 46 L 4.9685 8.9494 127.3989 54.5111 43.5618 175.9049 47 T 4.9350 9.1638 120.9070 61.7655 71.1575 172.7802 48 L 5.3370 9.2239 129.5412 53.5266 44.4122 175.4792 49 G 4.3576 9.4618 112.7542 45.0952 0.0000 173.3050 50 G 4.2952 8.5626 107.7619 46.1336 0.0000 173.7781 51 Y 4.5476 6.4903 117.5998 56.1071 39.1690 175.4233 52 K 4.3072 9.5102 121.0212 56.0714 32.7504 177.1021 53 T 4.0580 8.3984 111.9553 63.9084 68.6450 174.4490 54 G 4.0037 9.0082 113.3766 45.2302 0.0000 173.7465 55 T 3.8883 7.9278 117.8936 63.8832 69.2143 173.7799 56 T 5.0600 8.0475 115.1831 59.3933 71.6681 175.4264 57 S 4.2150 8.6741 116.4510 61.3741 63.1090 176.6434 58 T 3.9533 7.6601 110.2341 63.8068 68.7560 175.3438 59 S 4.2747 7.9069 117.4859 59.3272 63.4614 173.1586 60 V 4.4406 7.6741 122.2467 60.9138 33.6688 173.9454 61 N 5.1217 8.5694 125.8368 51.7715 41.9348 172.8693 62 F 5.0284 8.7962 126.8234 57.0778 40.3209 175.2634 63 T 5.6137 9.6456 114.0570 59.0430 72.3595 172.7138 64 D 4.9498 8.4413 120.7496 52.0585 43.1306 175.7255 65 A 3.8669 8.7981 120.1259 55.5426 18.0827 178.7925 66 A 3.9942 8.2169 118.5293 53.6320 18.4319 178.3554 67 G 3.8401 7.9014 102.3412 46.4148 0.0000 173.1630 68 D 4.4691 7.4768 116.9152 52.5627 41.1510 173.7672 69 P 4.5768 0.0000 0.0000 64.8986 31.6651 176.5430 70 M 3.1988 9.2009 122.5056 54.8477 31.1253 176.3004 71 Y 5.3657 7.2331 114.4744 56.1336 42.1468 174.7393 72 L 4.8478 8.8492 122.5044 53.4841 44.2246 175.4477 73 T 5.0731 9.0611 120.6830 61.8548 70.7185 173.7998 74 F 4.8760 8.7982 124.9735 55.9976 41.6472 174.8980 75 T 5.4088 8.6629 118.9866 61.4275 72.3035 173.8342 76 S 3.7180 8.9306 120.6014 58.4069 63.5215 174.3876 77 Q 4.2398 8.1279 119.8769 56.5259 28.8673 176.0644 78 D 4.5570 7.8787 117.2557 52.6608 39.5850 177.0720 79 G 3.8550 7.9871 105.8421 46.7397 0.0000 174.1526 80 N 4.6224 8.4575 115.1168 52.1336 39.0623 174.6120 81 N 4.2207 8.0472 114.1291 54.3914 36.2507 173.9815 82 H 4.6434 7.7298 114.8404 56.3888 30.0746 175.0336 83 Q 5.4711 8.8372 119.9658 54.6463 33.6571 173.6097 84 F 5.5086 8.9565 115.4752 55.5825 41.9445 173.6032 85 T 5.2610 9.0026 110.4748 60.6201 71.6451 173.3185 86 T 5.3867 8.9028 112.0853 60.2124 73.0134 172.4894 87 K 5.1004 9.2819 121.3180 55.1376 36.3746 175.1391 88 V 4.9513 8.3856 120.2284 61.3769 33.6523 174.7337 89 I 4.9653 9.1491 128.7210 59.9789 41.5317 175.1436 90 G 4.1620 9.4366 114.9287 44.5352 0.0000 171.8683 91 K 5.1888 8.2821 117.7145 54.8614 36.3669 175.9919 92 D 4.8360 8.5570 123.0506 51.9380 41.6553 176.7266 93 S 4.4444 8.3915 112.0173 59.5561 63.3853 174.5901 94 R 4.0448 7.9177 119.2570 55.7200 29.9283 175.5099 95 D 4.4972 7.8105 115.8482 55.1285 40.5054 173.2089 96 F 4.9639 8.3827 115.2173 56.3682 40.4196 175.1525 97 D 5.0408 8.8082 121.9962 54.7255 41.8391 175.7102 98 I 4.4588 9.4841 124.3499 59.7617 39.7881 174.6158 99 S 5.1249 8.8139 123.1055 55.8089 62.8740 171.7058 100 P 4.7957 0.0000 0.0000 61.9054 32.6463 176.2809 101 K 4.2639 8.6046 120.0666 56.5410 33.4847 176.4883 102 V 4.7387 8.4726 123.0854 61.5901 34.7374 175.4703 103 N 4.1646 10.4379 127.4591 54.3794 36.6490 175.8581 104 G 4.0650 9.6307 105.5943 45.1728 0.0000 173.7264 105 E 4.7183 7.5594 118.3893 54.3218 34.1005 176.2427 106 N 4.7655 8.4239 121.0937 52.7514 38.3505 175.4385 *111 D 4.3225 8.4802 124.3550 55.1891 41.5197 175.0463 112 V 4.5719 8.3875 126.5716 60.5518 35.1222 174.7839 113 V 4.0636 8.3745 126.7420 62.7186 31.8853 175.8345 114 L 4.4003 8.5364 127.9084 54.3524 42.2190 177.1175 115 A 4.2020 9.0605 124.2877 52.0883 19.0191 177.6044 116 T 4.1063 8.2559 117.2488 65.1568 69.4142 173.7587 117 G 4.2344 10.8097 119.8661 44.8470 0.0000 173.1343 118 S 4.9533 6.6981 110.9152 57.8442 66.0053 173.9863 119 Q 4.4445 8.9637 122.2608 54.6067 32.2836 173.6293 120 D 4.8299 8.4714 126.1516 54.0854 42.1153 175.6659 121 F 4.5686 9.2623 121.0075 55.6006 42.6333 174.0849 122 F 4.9198 9.0400 123.5243 56.7904 40.6375 175.0250 123 V 4.6816 8.9551 124.4547 62.1127 32.6244 174.6881 124 R 5.3517 9.0787 128.1043 53.9931 33.1925 175.9059 125 S 4.3209 8.8280 118.3928 59.1121 63.8042 173.3531 126 I 4.2054 8.9663 122.2647 60.3896 38.1683 176.4906 127 G 3.9785 7.6184 106.5591 45.6930 0.0000 170.8952 128 S 4.7717 9.1556 115.5638 58.8901 62.2386 174.9501 129 K 4.1776 9.5511 125.5825 56.9185 32.2952 177.2625 130 G 4.2888 8.3783 114.3655 45.9212 0.0000 173.4163 131 G 4.0078 8.3195 109.5936 44.5020 0.0000 172.7682 132 K 4.4028 8.2260 118.2133 55.9161 32.6756 177.2806 133 L 4.3584 8.6558 125.6262 54.2139 42.6939 176.1481 134 A 4.6424 7.8892 123.9933 50.2149 19.9638 177.3744 135 A 4.1327 8.9050 125.5089 52.1872 19.2908 178.4689 136 G 3.8919 8.0388 105.5840 44.9945 0.0000 172.0162 137 K 4.7539 8.2211 119.3066 55.6765 33.9498 175.6488 138 Y 5.2593 9.0057 121.1787 56.4565 41.3247 174.8796 139 T 4.9185 9.0345 112.8530 60.2725 72.6529 172.3050 140 D 4.7031 8.1630 120.4071 52.9713 44.3097 174.0821 141 A 4.4160 8.4325 128.7818 50.6405 20.0904 175.9810 142 V 4.5941 8.0799 122.9573 61.6837 33.8746 174.9531 143 T 4.8448 8.9654 123.8658 61.6293 71.6030 173.2665 144 V 4.5993 8.3845 124.5570 60.0941 34.0355 174.8943 145 T 4.5215 8.7624 120.5157 61.6520 71.4290 172.9862 146 V 4.6719 8.3761 126.1218 61.4164 33.4149 175.2885 147 S 4.5478 8.7959 124.9109 56.8296 65.2651 173.2148 148 N 4.1601 8.4441 114.6114 54.8159 35.8958 174.7793 149 Q 4.2497 8.1352 120.8961 56.1220 29.0562 175.9656 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 16 P 0.00 4.32 0.00 2.19 2.12 0.00 3.74 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 1.88 1.97 0.00 17 A 8.61 3.83 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 18 R 9.10 4.61 0.00 1.69 1.76 0.00 3.25 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 19 I 8.42 4.65 1.89 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 1.43 1.24 0.96 0.00 0.00 20 T 8.94 4.74 4.27 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 1.22 0.00 0.00 21 L 8.61 5.35 0.00 1.70 1.64 1.27 1.09 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 22 T 8.82 4.90 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 1.27 0.00 0.00 23 Y 8.30 5.37 0.00 3.04 2.81 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 24 K 8.39 4.58 0.00 1.74 1.47 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.32 7.81 25 E 8.95 4.11 0.00 1.79 1.73 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 2.23 1.90 0.00 26 G 8.54 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 0.00 0.00 0.00 0.00 27 A 8.50 4.30 1.21 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 0.00 0.00 28 P 0.00 4.34 0.00 2.03 1.99 0.00 3.65 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 2.02 2.11 0.00 29 I 7.92 4.19 1.59 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.38 0.58 0.00 0.00 30 T 8.16 4.24 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 1.16 0.00 0.00 31 I 8.04 4.08 1.82 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 1.28 0.36 0.86 0.00 0.00 32 M 8.79 4.35 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 33 D 8.59 4.28 0.00 2.59 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 34 N 8.13 4.58 0.00 2.85 2.88 0.00 0.00 6.16 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 35 G 8.63 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 36 N 8.16 5.00 0.00 2.69 2.65 0.00 0.00 6.69 8.08 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 37 I 7.63 4.65 1.61 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.57 0.00 0.00 38 D 8.19 4.52 0.00 2.57 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 39 T 8.02 4.36 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 1.22 0.00 0.00 40 E 8.99 3.81 0.00 2.11 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 0.00 2.22 2.40 0.00 41 L 7.67 4.00 0.00 1.52 1.51 0.78 0.28 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 42 L 8.38 4.37 0.00 1.55 1.57 1.08 0.92 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 43 V 9.25 3.71 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 0.75 0.00 0.00 0.98 0.00 0.00 44 G 7.34 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 0.00 0.00 0.00 0.00 45 T 7.82 5.08 4.16 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 1.07 0.00 0.00 46 L 8.95 4.97 0.00 1.81 1.75 0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.16 4.93 4.31 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 1.30 0.00 0.00 48 L 9.22 5.34 0.00 2.22 2.01 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.46 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 50 G 8.56 4.30 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 0.00 51 Y 6.49 4.55 0.00 3.26 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 52 K 9.51 4.31 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.41 7.81 53 T 8.40 4.06 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 1.23 0.00 0.00 54 G 9.01 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 55 T 7.93 3.89 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 1.07 0.00 0.00 56 T 8.05 5.06 4.45 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 1.26 0.00 0.00 57 S 8.67 4.22 0.00 4.11 4.27 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 58 T 7.66 3.95 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 1.23 0.00 0.00 59 S 7.91 4.27 0.00 4.06 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 V 7.67 4.44 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 0.27 0.00 0.00 0.79 0.00 0.00 61 N 8.57 5.12 0.00 2.73 2.49 0.00 0.00 6.83 7.27 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 62 F 8.80 5.03 0.00 3.07 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 63 T 9.65 5.61 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 1.18 0.00 0.00 64 D 8.44 4.95 0.00 2.79 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 65 A 8.80 3.87 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 66 A 8.22 3.99 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 67 G 7.90 3.84 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 0.00 0.00 0.00 68 D 7.48 4.47 0.00 2.82 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 69 P 0.00 4.58 0.00 2.00 1.94 0.00 3.77 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 2.02 2.11 0.00 70 M 9.20 3.20 0.00 1.33 1.27 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 71 Y 7.23 5.37 0.00 2.92 2.81 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 72 L 8.85 4.85 0.00 1.70 1.64 0.82 0.60 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 73 T 9.06 5.07 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 1.19 0.00 0.00 74 F 8.80 4.88 0.00 1.51 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 75 T 8.66 5.41 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 1.19 0.00 0.00 76 S 8.93 3.72 0.00 3.43 3.11 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 77 Q 8.13 4.24 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.24 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 78 D 7.88 4.56 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 79 G 7.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.46 4.62 0.00 2.65 2.69 0.00 0.00 6.92 7.68 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 81 N 8.05 4.22 0.00 2.84 2.90 0.00 0.00 7.03 8.16 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 82 H 7.73 4.64 0.00 3.28 3.47 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.84 5.47 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 84 F 8.96 5.51 0.00 3.09 2.99 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 85 T 9.00 5.26 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 1.16 0.00 0.00 86 T 8.90 5.39 4.51 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 1.43 0.00 0.00 87 K 9.28 5.10 0.00 1.92 2.15 0.00 1.35 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.45 7.81 88 V 8.39 4.95 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 0.53 0.00 0.00 0.81 0.00 0.00 89 I 9.15 4.97 2.06 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 1.29 0.97 1.07 0.00 0.00 90 G 9.44 4.16 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 0.00 0.00 0.00 91 K 8.28 5.19 0.00 1.85 1.76 0.00 2.08 0.00 0.00 1.94 0.00 0.00 3.23 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.58 7.81 92 D 8.56 4.84 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.39 4.44 0.00 3.97 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 94 R 7.92 4.04 0.00 1.20 1.39 0.00 2.69 0.00 0.00 2.88 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 95 D 7.81 4.50 0.00 2.84 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 96 F 8.38 4.96 0.00 3.15 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 97 D 8.81 5.04 0.00 2.60 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 98 I 9.48 4.46 2.00 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 1.18 0.77 1.08 0.00 0.00 99 S 8.81 5.12 0.00 3.91 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 0.00 100 P 0.00 4.80 0.00 1.98 1.79 0.00 4.12 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.49 0.00 101 K 8.60 4.26 0.00 1.87 1.72 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.35 7.81 102 V 8.47 4.74 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 1.10 0.00 0.00 0.96 0.00 0.00 103 N 10.44 4.16 0.00 2.92 2.78 0.00 0.00 6.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.63 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 0.00 0.00 0.00 105 E 7.56 4.72 0.00 1.88 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 0.00 2.25 2.26 0.00 106 N 8.42 4.77 0.00 2.67 2.67 0.00 0.00 6.93 8.06 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 *111 D 8.48 4.32 0.00 2.65 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 0.00 112 V 8.39 4.57 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 0.93 0.00 0.00 1.01 0.00 0.00 113 V 8.37 4.06 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 114 L 8.54 4.40 0.00 1.28 1.39 0.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.06 4.20 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 0.00 116 T 8.26 4.11 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 0.00 117 G 10.81 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 0.00 0.00 0.00 0.00 118 S 6.70 4.95 0.00 4.09 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 0.00 119 Q 8.96 4.44 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 120 D 8.47 4.83 0.00 2.21 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 0.00 0.00 0.00 121 F 9.26 4.57 0.00 2.86 2.76 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 0.00 122 F 9.04 4.92 0.00 3.25 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 0.00 123 V 8.96 4.68 2.41 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 1.27 0.00 0.00 1.13 0.00 0.00 124 R 9.08 5.35 0.00 1.79 1.82 0.00 3.57 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 125 S 8.83 4.32 0.00 3.83 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 0.00 126 I 8.97 4.21 1.91 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 1.18 0.69 0.77 0.00 0.00 127 G 7.62 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 0.00 128 S 9.16 4.77 0.00 3.86 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 0.00 129 K 9.55 4.18 0.00 1.89 1.88 0.00 2.10 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.42 7.81 130 G 8.38 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 0.00 0.00 0.00 0.00 131 G 8.32 4.01 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 0.00 132 K 8.23 4.40 0.00 1.65 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.47 7.81 133 L 8.66 4.36 0.00 1.53 1.63 0.77 0.94 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 0.00 134 A 7.89 4.64 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 0.00 135 A 8.90 4.13 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 0.00 136 G 8.04 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 0.00 137 K 8.22 4.75 0.00 1.74 1.83 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 138 Y 9.01 5.26 0.00 2.97 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 0.00 139 T 9.03 4.92 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 1.25 0.00 0.00 140 D 8.16 4.70 0.00 1.58 1.57 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 0.00 141 A 8.43 4.42 1.17 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 0.00 0.00 142 V 8.08 4.59 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 1.01 0.00 0.00 0.74 0.00 0.00 143 T 8.97 4.84 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 1.18 0.00 0.00 144 V 8.38 4.60 1.71 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 0.69 0.00 0.00 0.15 0.00 0.00 145 T 8.76 4.52 4.14 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 1.15 0.00 0.00 146 V 8.38 4.67 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 0.82 0.00 0.00 0.88 0.00 0.00 147 S 8.80 4.55 0.00 3.74 3.77 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 0.00 148 N 8.44 4.16 0.00 2.83 2.88 0.00 0.00 6.78 7.69 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 0.00 149 Q 8.14 4.25 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.