NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3539 8.1227 123.5826 52.3051 21.0305 178.9088 3 D 4.1544 8.1200 115.0380 56.6917 41.3092 176.4099 4 L 4.0489 8.6825 121.6989 58.3680 42.6667 178.4016 5 T 3.9231 7.8760 115.4094 66.8011 68.5411 175.8830 6 H 4.3782 8.3758 119.9905 59.5424 29.9260 177.2260 7 E 4.0933 8.2589 120.3181 59.1031 29.2394 179.0686 8 F 4.0852 8.3271 120.8072 61.2883 39.2993 177.3284 9 W 4.1849 7.9547 116.8360 59.5396 28.7214 177.8447 10 D 4.6645 8.1683 117.9112 57.6769 40.7672 178.6205 11 R 3.8059 8.0168 118.1920 58.6263 30.0638 178.6614 12 L 3.8778 7.7053 120.3580 57.7391 41.6471 178.6968 13 E 4.0715 7.3412 119.2762 58.6875 29.5582 177.7327 14 D 4.4900 7.4524 114.1052 54.7298 41.3421 176.6258 15 V 3.9780 7.1627 119.4517 61.7471 30.9972 175.7315 16 R 4.1106 8.6256 128.8256 58.6791 30.3895 176.1045 17 S 4.9023 7.5709 111.0298 57.2089 67.8037 174.2514 18 G 3.5574 7.9194 113.8353 45.3618 0.0000 173.9050 *20 L 4.1934 8.3651 126.2699 55.0062 43.4956 175.0557 21 G 4.3103 8.2689 108.6294 45.6515 0.0000 172.2802 22 I 4.6075 7.8991 122.3647 59.6487 38.9174 175.8333 23 K 4.1110 8.6268 127.2158 57.9705 32.1935 177.7702 24 G 3.9036 9.0802 112.0485 45.3415 0.0000 173.2138 25 Q 4.3400 7.5205 118.0040 54.4017 29.4381 176.7079 26 G 3.7990 8.3811 114.2568 45.2322 0.0000 170.7966 27 R 4.6265 8.1472 118.4400 53.8179 33.0851 175.2824 28 L 4.4691 8.2563 119.7174 54.8360 42.0118 176.8429 29 I 4.6905 8.0952 117.2508 58.0648 40.1854 173.7001 30 P 4.7879 0.0000 0.0000 62.3807 32.5154 176.2407 *32 S 4.5191 8.6721 115.2317 57.6908 62.9879 171.9522 33 P 3.8785 0.0000 0.0000 62.3721 32.2650 175.7139 34 Q 4.6091 8.4268 122.4816 54.2251 31.7337 174.7978 35 T 4.9546 8.1907 112.6537 60.2871 73.5658 172.6521 36 D 4.8862 8.6376 120.2635 52.5566 42.6330 175.3215 37 D 4.5393 9.1908 127.8026 55.4513 39.5271 177.0957 38 D 4.5441 8.0292 117.6035 54.0933 40.6490 175.9820 39 A 4.6191 7.6950 122.3800 50.4304 18.8320 172.8504 40 P 3.9254 0.0000 0.0000 60.7427 33.3629 175.8768 41 G 3.8938 6.3972 105.2326 45.5474 0.0000 173.8672 42 A 4.8456 7.3306 119.0079 50.1034 22.6909 175.3642 43 I 4.3295 8.9043 121.2387 59.3291 39.6909 174.8859 44 W 5.0432 8.5032 127.3508 55.0355 31.6347 175.3529 45 F 5.1605 9.1765 120.9721 55.8831 43.1035 173.6257 46 I 4.8548 8.5875 123.1195 60.1136 38.8754 174.6880 47 T 4.8214 8.9424 120.6614 60.6178 71.5263 172.0923 48 A 5.1935 8.5249 124.2180 51.1294 19.8851 178.8175 49 K 4.0350 8.9164 120.0489 59.3855 32.2549 179.1471 50 G 3.7315 8.3426 107.5276 47.3150 0.0000 174.3824 51 T 4.1851 7.4773 111.1837 61.4188 70.9191 175.2137 52 D 4.3739 8.4944 121.5676 57.4087 40.3634 179.0804 53 L 3.9531 7.8443 118.9524 57.5760 41.4781 179.2039 54 A 4.0196 7.4021 118.3001 55.2863 18.2476 179.6339 55 K 4.1925 8.1572 117.1831 59.4581 31.8515 179.9117 56 G 3.7000 8.2065 105.3037 46.7741 0.0000 174.6208 57 V 4.5403 7.5103 110.7593 60.1180 32.3132 177.4798 58 A 4.0677 7.7915 124.3622 55.1311 18.3619 179.6060 59 A 4.0637 8.1964 117.8092 52.8367 18.3571 177.4681 60 G 4.0228 7.1064 102.1502 44.4881 0.0000 169.3575 61 P 4.6744 0.0000 0.0000 63.1304 31.7228 176.4518 62 Q 4.7666 8.8308 122.0467 53.1362 32.9619 173.2232 63 P 4.8005 0.0000 0.0000 62.9158 32.6827 175.3524 64 A 5.3401 9.1470 125.1058 50.3462 23.7319 174.0902 65 Q 5.1238 9.4861 119.3524 54.4702 32.9235 173.8542 66 F 4.9421 9.0291 127.3097 56.4758 42.3523 173.2140 67 V 4.6031 7.9520 126.1983 61.0232 33.1839 174.7835 68 V 4.1144 8.5905 127.5926 61.4087 34.5572 174.8154 69 S 4.8687 8.3357 120.7111 57.2125 63.3014 170.5650 70 D 4.6747 8.5685 123.2613 51.8682 42.7073 175.9526 71 D 4.5603 8.3488 126.7065 56.6597 41.3443 178.3496 72 G 3.7138 8.2199 107.1878 48.1839 0.0000 173.8896 73 E 4.2707 8.6410 117.7097 55.0907 30.3796 176.5481 74 G 4.3079 7.6094 106.4973 45.5201 0.0000 172.5039 75 L 5.0488 6.6842 118.8478 52.9294 44.3079 174.5827 76 Y 5.1790 8.9861 123.2307 56.2464 41.7891 174.3581 77 A 4.8604 9.1864 125.1322 50.7077 23.5299 174.5187 78 D 5.0427 8.9449 121.3308 52.6045 43.3236 174.1461 79 L 5.0162 8.7476 126.3541 53.2030 44.2130 175.4615 80 D 5.2317 9.4034 123.9371 53.5421 42.9879 176.1996 81 G 3.5228 8.5960 108.3628 46.1655 0.0000 171.3315 82 T 4.9999 7.5597 117.3230 61.6633 72.3369 172.8773 83 L 5.2471 8.8920 129.2841 53.5074 44.1566 175.0137 84 E 5.0334 9.0146 123.1358 54.6327 33.8364 173.9938 85 R 4.5944 8.5414 121.0896 55.8271 30.9304 175.2080 86 S 4.9656 9.1826 122.0029 56.3947 64.6270 173.7245 87 T 4.4904 8.4090 115.4390 61.4321 69.2306 174.1856 88 D 4.6158 8.1246 125.2699 55.0220 41.6476 177.2263 89 R 3.9519 8.4657 130.1600 61.4480 29.7040 175.1551 90 E 4.0587 8.1578 118.3758 59.1565 29.4936 179.1857 91 A 3.4015 7.7477 120.4014 54.6048 18.3199 179.1622 92 L 3.9116 7.6177 118.7722 58.5096 41.9565 178.8243 93 D 4.4104 7.7454 116.5549 57.0261 41.1485 177.5644 94 E 3.8175 7.4980 118.6838 58.9499 29.7025 178.0191 95 F 4.8022 7.1528 114.1019 56.3245 39.5911 175.8132 96 W 4.4082 7.3504 128.4569 57.2768 31.2889 175.6797 97 S 4.7309 7.1952 118.0833 55.8199 66.8370 174.8159 98 F 4.0534 8.7579 123.3100 61.2505 39.1901 176.8687 99 V 3.6905 7.8316 117.1963 66.0432 31.4150 177.7323 100 A 4.0084 7.6220 120.0400 55.1709 17.7849 179.0923 101 D 4.4763 7.8408 116.2284 57.2153 41.0069 178.2778 102 A 3.7849 7.3568 120.6992 54.3959 18.3486 178.8576 103 W 4.0927 7.7218 115.6634 56.8464 29.6945 176.4521 104 F 5.0801 7.4949 117.3459 55.6546 42.0961 174.8056 105 D 4.5278 9.3367 125.3834 57.6319 40.8649 177.8631 106 G 3.9708 8.6735 106.0273 45.5147 0.0000 175.6393 107 G 3.9469 8.2485 109.3615 44.5766 0.0000 174.1574 108 Q 2.5200 7.6845 115.8788 57.9417 28.9231 176.2758 109 H 4.6906 7.3492 116.3344 55.0241 29.1592 174.1887 110 D 4.7774 7.3949 118.8319 52.1244 42.5942 174.9947 111 P 4.3160 0.0000 0.0000 65.6193 31.6937 177.0331 112 D 4.6538 8.7553 116.9061 55.3597 41.2894 176.2703 113 V 3.6918 7.3522 120.4852 62.7045 32.3866 174.9955 114 C 4.7068 9.1520 127.4996 57.6645 34.8763 172.2750 115 L 5.0670 8.7038 129.2227 54.1608 43.1003 174.8880 116 L 5.1102 9.1778 127.6449 53.3387 44.0777 175.6676 117 K 4.1649 9.2161 124.7263 54.4407 34.7769 174.2883 118 F 5.0512 9.0413 131.2027 56.9627 41.4437 174.4322 119 T 4.5882 7.7960 124.0711 61.0545 69.8119 172.5411 120 P 4.0917 0.0000 0.0000 62.7341 31.6204 176.2494 121 A 4.5589 9.1813 127.0766 53.7317 20.4591 176.9348 122 S 5.0852 7.2477 107.4730 57.7408 66.4744 173.4841 123 G 4.2431 8.3585 106.6895 46.0531 0.0000 172.0169 124 E 5.0102 8.0402 122.6955 54.8994 30.9873 174.8130 125 I 5.0325 8.7693 128.4457 59.5942 40.7199 174.9086 126 S 5.2411 9.6915 121.9697 56.8586 66.3740 173.1039 127 I 5.0900 8.8264 125.6586 59.4892 39.9628 175.3360 128 T 4.5952 8.9014 118.3221 61.5909 70.0859 173.7470 129 E 4.6647 8.6006 121.7728 55.7907 32.7192 176.8430 130 G 3.8724 9.0243 108.3171 44.8946 0.0000 175.3123 131 G 4.1889 7.9039 108.4868 45.6329 0.0000 174.7469 132 G 3.6771 8.6190 103.7723 47.4856 0.0000 175.5761 133 A 4.0894 7.9960 122.8866 55.2915 18.5386 179.5440 134 R 4.0272 7.8887 116.9941 59.2064 30.1123 178.3640 135 F 4.0820 8.0920 120.2505 61.3585 39.4251 177.0080 136 L 3.9866 8.0304 117.9770 57.9729 41.4335 178.9586 137 Y 4.0449 7.9466 118.7474 60.8976 38.9236 177.9114 138 E 3.7347 8.7480 119.7493 59.2769 29.6324 179.5887 139 I 3.4599 7.4036 119.4618 64.2201 37.0894 178.1952 140 A 3.9148 7.6608 121.5110 55.2407 18.3457 179.6850 141 K 3.7115 8.1485 118.0549 59.1256 32.2009 178.9953 142 A 4.1002 7.4940 122.4883 54.9864 18.1010 179.3844 143 H 4.0816 7.8579 113.0054 58.6103 28.7780 177.4941 144 L 4.3410 7.5422 120.0951 56.0981 40.4544 177.4294 145 T 4.4520 7.4132 105.6241 60.2209 69.8914 174.2626 146 D 4.4784 7.9881 119.8293 55.3752 38.7199 173.1373 147 E 4.4039 7.2794 118.4571 55.2574 30.5701 176.1512 148 T 4.1408 8.2522 120.1603 62.5380 69.1277 172.7902 149 P 4.3560 0.0000 0.0000 62.9139 31.8380 175.2294 150 D 4.9323 8.9915 122.7860 52.3358 44.2894 176.7730 *152 G 4.0488 8.0719 110.5061 45.7994 0.0000 172.3268 153 E 4.8821 8.9109 122.5127 54.5663 33.0468 174.9883 154 Q 4.9742 8.3911 122.3332 54.7510 32.0815 173.6548 155 A 4.5489 8.8968 125.9507 51.4917 23.5244 175.0177 156 T 4.6731 8.4286 116.5857 62.5387 69.5494 174.6413 157 V 4.2505 8.7362 127.3990 61.2799 34.3724 174.4733 158 T 4.8075 8.0460 122.7674 61.6440 70.3117 174.3176 159 F 4.4205 8.9238 124.8446 57.7215 38.6472 175.6766 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 A 8.12 4.35 1.36 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 3 D 8.12 4.15 0.00 2.90 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 4 L 8.68 4.05 0.00 1.76 1.63 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.88 3.92 4.34 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 1.48 0.00 0.00 6 H 8.38 4.38 0.00 3.46 3.56 0.00 5.59 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 7 E 8.26 4.09 0.00 2.26 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 2.57 0.00 8 F 8.33 4.09 0.00 3.12 3.17 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 9 W 7.95 4.18 0.00 3.43 3.24 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 10 D 8.17 4.66 0.00 2.95 2.83 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 11 R 8.02 3.81 0.00 1.82 1.88 0.00 3.17 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 12 L 7.71 3.88 0.00 1.13 1.53 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.34 4.07 0.00 1.83 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 2.42 2.28 0.00 14 D 7.45 4.49 0.00 2.74 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 15 V 7.16 3.98 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 0.85 0.00 0.00 0.85 0.00 0.00 16 R 8.63 4.11 0.00 1.89 1.91 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 17 S 7.57 4.90 0.00 3.83 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 18 G 7.92 3.56 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 *20 L 8.37 4.19 0.00 1.59 1.28 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.27 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 0.00 0.00 0.00 0.00 22 I 7.90 4.61 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 1.35 0.91 0.97 0.00 0.00 23 K 8.63 4.11 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.44 7.81 24 G 9.08 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 0.00 0.00 0.00 25 Q 7.52 4.34 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 26 G 8.38 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 27 R 8.15 4.63 0.00 1.76 1.82 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 28 L 8.26 4.47 0.00 1.48 1.54 0.86 0.74 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 29 I 8.10 4.69 1.81 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 1.32 0.56 0.87 0.00 0.00 30 P 0.00 4.79 0.00 2.08 2.08 0.00 3.36 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 *32 S 8.67 4.52 0.00 3.95 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 33 P 0.00 3.88 0.00 1.94 2.04 0.00 3.90 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 2.21 2.30 0.00 34 Q 8.43 4.61 0.00 1.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 35 T 8.19 4.95 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 1.34 0.00 0.00 36 D 8.64 4.89 0.00 3.02 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 37 D 9.19 4.54 0.00 2.91 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 38 D 8.03 4.54 0.00 2.81 2.83 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 39 A 7.70 4.62 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 40 P 0.00 3.93 0.00 0.79 1.47 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 41 G 6.40 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 42 A 7.33 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.90 4.33 1.77 0.00 0.00 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 1.47 0.97 0.26 0.00 0.00 44 W 8.50 5.04 0.00 2.57 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 45 F 9.18 5.16 0.00 2.89 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 46 I 8.59 4.85 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 1.13 0.00 0.00 47 T 8.94 4.82 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 1.33 0.00 0.00 48 A 8.52 5.19 1.36 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 49 K 8.92 4.03 0.00 1.74 1.94 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.57 7.81 50 G 8.34 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 51 T 7.48 4.19 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 52 D 8.49 4.37 0.00 2.69 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 53 L 7.84 3.95 0.00 1.63 1.65 0.74 0.81 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 54 A 7.40 4.02 1.45 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 0.00 0.00 55 K 8.16 4.19 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 56 G 8.21 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 0.00 0.00 0.00 57 V 7.51 4.54 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 1.14 0.00 0.00 1.05 0.00 0.00 58 A 7.79 4.07 1.36 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 59 A 8.20 4.06 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 60 G 7.11 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 61 P 0.00 4.67 0.00 1.93 1.98 0.00 3.61 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 2.01 2.11 0.00 62 Q 8.83 4.77 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 63 P 0.00 4.80 0.00 2.09 1.99 0.00 3.54 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 2.09 0.00 64 A 9.15 5.34 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 65 Q 9.49 5.12 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 66 F 9.03 4.94 0.00 1.74 2.26 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 67 V 7.95 4.60 1.90 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 0.73 0.00 0.00 0.88 0.00 0.00 68 V 8.59 4.11 2.01 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 0.83 0.00 0.00 0.58 0.00 0.00 69 S 8.34 4.87 0.00 3.95 3.72 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 70 D 8.57 4.67 0.00 2.57 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 0.00 0.00 0.00 0.00 71 D 8.35 4.56 0.00 2.71 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 72 G 8.22 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 0.00 0.00 0.00 73 E 8.64 4.27 0.00 1.90 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 2.20 2.32 0.00 74 G 7.61 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 0.00 0.00 0.00 0.00 75 L 6.68 5.05 0.00 1.69 1.29 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.99 5.18 0.00 2.91 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 77 A 9.19 4.86 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 78 D 8.94 5.04 0.00 2.81 2.55 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 0.00 0.00 0.00 0.00 79 L 8.75 5.02 0.00 1.99 1.77 1.20 0.67 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 80 D 9.40 5.23 0.00 2.69 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 81 G 8.60 3.52 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 0.00 0.00 0.00 82 T 7.56 5.00 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 1.20 0.00 0.00 83 L 8.89 5.25 0.00 1.94 1.58 0.98 0.67 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 84 E 9.01 5.03 0.00 2.00 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 2.21 2.18 0.00 85 R 8.54 4.59 0.00 1.87 1.90 0.00 3.22 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 86 S 9.18 4.97 0.00 4.04 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 87 T 8.41 4.49 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 1.24 0.00 0.00 88 D 8.12 4.62 0.00 2.91 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 89 R 8.47 3.95 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 90 E 8.16 4.06 0.00 2.11 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 2.40 1.94 0.00 91 A 7.75 3.40 0.52 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 0.00 0.00 92 L 7.62 3.91 0.00 1.88 1.76 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.75 4.41 0.00 2.76 2.55 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 0.00 0.00 0.00 0.00 94 E 7.50 3.82 0.00 1.68 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 1.47 1.92 0.00 95 F 7.15 4.80 0.00 3.10 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 96 W 7.35 4.41 0.00 3.60 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.20 4.73 0.00 4.05 3.91 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 98 F 8.76 4.05 0.00 3.04 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 99 V 7.83 3.69 2.13 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 1.12 0.00 0.00 1.04 0.00 0.00 100 A 7.62 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.84 4.48 0.00 2.94 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 0.00 102 A 7.36 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.72 4.09 0.00 2.81 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 0.00 104 F 7.49 5.08 0.00 3.28 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 0.00 105 D 9.34 4.53 0.00 2.75 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 0.00 106 G 8.67 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 0.00 107 G 8.25 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 0.00 108 Q 7.68 2.52 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.48 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 109 H 7.35 4.69 0.00 3.05 3.21 0.00 5.69 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.39 4.78 0.00 2.84 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 0.00 111 P 0.00 4.32 0.00 2.12 2.14 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 112 D 8.76 4.65 0.00 3.21 2.97 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 0.00 113 V 7.35 3.69 1.90 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 0.60 0.00 0.00 0.07 0.00 0.00 114 C 9.15 4.71 0.00 3.03 2.97 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 0.00 115 L 8.70 5.07 0.00 1.96 1.87 1.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.18 5.11 0.00 1.82 1.65 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 K 9.22 4.16 0.00 1.24 1.37 0.00 1.16 0.00 0.00 1.32 0.00 0.00 2.51 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.75 0.21 7.81 118 F 9.04 5.05 0.00 3.18 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 0.00 119 T 7.80 4.59 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 1.13 0.00 0.00 120 P 0.00 4.09 0.00 0.49 1.38 0.00 3.78 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 1.70 2.15 0.00 121 A 9.18 4.56 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 0.00 122 S 7.25 5.09 0.00 3.99 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 0.00 123 G 8.36 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 0.00 0.00 0.00 0.00 124 E 8.04 5.01 0.00 2.01 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 2.24 2.27 0.00 125 I 8.77 5.03 1.83 0.00 0.00 0.44 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 0.62 1.07 0.00 0.00 126 S 9.69 5.24 0.00 3.86 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 0.00 127 I 8.83 5.09 1.94 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 1.16 0.97 0.00 0.00 128 T 8.90 4.60 4.37 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 1.42 0.00 0.00 129 E 8.60 4.66 0.00 1.98 1.90 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 2.24 2.39 0.00 130 G 9.02 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 0.00 131 G 7.90 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 0.00 132 G 8.62 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 0.00 133 A 8.00 4.09 1.36 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 0.00 134 R 7.89 4.03 0.00 1.96 2.15 0.00 3.17 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 135 F 8.09 4.08 0.00 3.25 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 0.00 136 L 8.03 3.99 0.00 2.08 1.79 1.27 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.95 4.04 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 0.00 138 E 8.75 3.73 0.00 1.90 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 2.65 2.67 0.00 139 I 7.40 3.46 1.55 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.35 0.80 0.00 0.00 140 A 7.66 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 3.71 0.00 1.07 1.29 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.24 7.81 142 A 7.49 4.10 1.33 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 0.00 0.00 0.00 143 H 7.86 4.08 0.00 3.27 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.54 4.34 0.00 1.51 1.69 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.41 4.45 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 0.00 146 D 7.99 4.48 0.00 2.87 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 0.00 147 E 7.28 4.40 0.00 2.01 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 2.26 2.23 0.00 148 T 8.25 4.14 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 0.00 149 P 0.00 4.36 0.00 1.98 1.89 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 150 D 8.99 4.93 0.00 2.58 2.55 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 0.00 0.00 0.00 0.00 *152 G 8.07 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 0.00 0.00 0.00 153 E 8.91 4.88 0.00 2.00 1.85 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 2.24 2.28 0.00 154 Q 8.39 4.97 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 155 A 8.90 4.55 1.18 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 0.00 156 T 8.43 4.67 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 0.00 157 V 8.74 4.25 1.62 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 0.39 0.00 0.00 0.75 0.00 0.00 158 T 8.05 4.81 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 1.23 0.00 0.00 159 F 8.92 4.42 0.00 3.22 3.12 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 * Residues marked with a * may have inaccurate shift predictions.