NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3122 8.3449 119.6874 55.4976 30.2213 174.1739 4 L 4.1125 8.1549 118.6815 54.2937 42.4057 175.3709 5 T 4.4208 9.0635 119.2696 62.0368 70.2672 173.9152 6 L 4.7221 8.4012 127.2630 53.4070 43.2650 176.5182 7 D 4.9744 8.9184 123.9543 51.0976 43.2655 176.9693 8 K 3.8343 8.5594 117.7036 60.4758 31.8634 179.2690 9 T 3.8951 7.9133 114.9300 66.7074 68.4482 176.3439 10 D 4.3714 8.3132 120.7439 57.3725 40.7668 178.9215 11 I 3.6799 7.8628 120.2554 64.2331 37.0611 178.2768 12 K 4.1235 8.4089 122.0833 58.9862 32.0099 178.5077 13 I 3.7061 8.1389 120.3904 64.6704 37.0942 178.4096 14 L 4.0299 8.0556 119.4389 57.7953 41.4670 179.5232 15 Q 3.9991 8.8166 118.6066 58.9864 28.5907 179.1857 16 V 3.6990 8.1186 119.4914 66.1300 31.1312 178.1601 17 L 4.2666 8.1065 118.5995 57.7012 41.2059 179.3913 18 Q 4.0391 8.1213 117.5998 58.5414 28.6768 177.8563 19 E 4.5017 7.7296 116.4275 56.4897 31.6375 176.2502 20 N 5.0312 8.2744 116.2264 51.2314 38.9240 175.2428 21 G 3.8178 8.2038 107.8740 47.4764 0.0000 172.0689 22 R 4.4177 7.6866 117.8608 55.5808 30.6511 175.5284 23 L 4.2121 7.4582 117.1963 55.2171 42.1727 177.8783 24 T 4.0787 8.8465 113.8325 61.3970 70.6571 175.1510 25 N 4.2274 8.5933 119.6203 56.9233 38.9201 177.0731 26 V 3.6525 7.6208 120.3988 65.3597 31.7537 177.7064 27 E 3.8958 7.9964 117.8042 59.3951 29.4597 178.9209 28 L 3.9708 8.1724 120.8685 58.3353 42.0510 179.2282 29 S 4.1705 8.4014 114.3760 61.4665 62.6946 176.3143 30 E 4.0622 7.9866 121.4168 59.3167 29.2944 179.2638 31 R 4.1288 7.8889 116.6759 58.1253 30.2864 178.3042 32 V 4.1251 7.4914 108.8908 59.7135 32.7845 175.1471 33 A 3.7100 8.0904 120.0037 53.6101 15.6041 177.2944 34 L 4.8380 7.5037 118.4680 53.1558 45.3953 178.0053 35 S 4.2743 8.3575 115.4341 57.5828 64.3307 173.2775 36 P 4.2359 0.0000 0.0000 65.9408 31.1259 178.7965 37 S 4.0701 8.0248 111.2673 60.9311 62.3856 174.1476 38 P 4.2551 0.0000 0.0000 65.9902 30.8571 177.6816 39 C 4.0353 8.1328 118.3101 62.1682 31.5842 175.1922 40 L 3.9226 8.1732 122.1896 58.1955 41.6300 178.8723 41 R 3.8652 8.0407 118.4269 59.5307 30.0707 178.4080 42 R 4.0598 8.3056 118.8314 59.3954 30.0046 178.2303 43 L 3.9959 8.0234 120.2075 57.9113 42.0426 178.7264 44 K 4.0966 7.9518 119.1712 59.7344 32.0958 178.7208 45 Q 3.9790 8.0981 118.2258 59.0630 28.7318 178.9115 46 L 4.0896 8.0523 119.9803 57.5832 41.6133 179.4296 47 E 4.0981 8.6180 119.0148 59.6942 29.2677 179.1347 48 D 4.3682 8.4894 117.5942 57.2803 40.9808 178.4466 49 A 4.1831 8.2923 120.2584 53.2066 18.3835 178.4908 50 G 3.8950 7.9046 105.2145 45.5407 0.0000 174.9638 51 I 3.6848 7.5552 120.6046 64.0907 37.1633 176.8314 52 V 3.7762 7.5999 121.2370 62.1583 31.2898 175.3871 53 R 4.3337 8.1759 123.7883 57.0853 30.7324 175.9554 54 Q 4.4532 7.2532 116.1248 55.3191 31.6670 172.0981 55 Y 4.6872 8.4730 119.9448 56.1216 40.0771 175.3837 56 A 4.6400 8.3394 125.6336 50.0745 22.3018 175.5138 57 A 4.1468 8.6682 125.7975 51.9395 19.1019 176.7251 58 L 4.6405 8.4009 122.9281 52.9282 43.5677 176.1140 59 L 4.6241 8.0491 122.7508 52.6586 44.3276 176.0508 60 S 4.2829 8.2950 115.8075 57.3643 62.9606 172.9928 61 P 4.2009 0.0000 0.0000 65.7159 31.2288 178.2334 62 E 3.9967 8.2559 117.0089 59.6257 29.2695 179.5165 63 S 4.3666 7.6362 111.6828 60.4329 62.8126 175.2950 64 V 4.2599 6.9125 113.8938 60.7214 32.0830 174.7684 65 N 4.2161 8.3832 116.7483 55.2752 37.8930 173.8473 66 L 5.1278 8.1056 114.4478 53.1332 40.0830 177.3280 67 G 3.9509 8.2534 104.2609 46.4209 0.0000 171.6072 68 L 4.8782 8.4867 124.1414 53.1163 44.9468 174.6329 69 Q 4.6088 8.8220 127.1039 54.1950 31.5345 173.5558 70 A 4.8679 8.8776 128.9488 50.1590 22.0369 175.1695 71 F 4.9896 9.1067 120.7734 55.9292 41.4359 174.7948 72 I 4.7941 9.0857 126.0067 59.6296 39.6703 175.1681 73 R 4.9676 9.2138 127.7755 55.1073 31.5031 175.5020 74 V 4.7524 9.0872 125.5056 61.1213 34.1357 174.2054 75 S 5.0422 9.1797 123.0834 56.7221 63.9560 172.7580 76 I 4.4628 8.7501 128.2885 59.9936 39.0080 175.5536 77 R 3.9907 8.7295 128.0852 56.1602 30.5803 177.8367 78 K 4.2289 8.6417 125.1634 55.2127 30.7123 175.3053 79 A 4.7312 7.6052 124.9184 49.2018 22.7185 175.7375 80 K 3.9278 8.4773 120.9725 57.8825 32.7408 177.1094 81 D 4.5492 9.0618 123.2289 55.0183 39.1766 175.5537 82 A 4.0748 7.8194 122.6099 55.3679 18.2628 180.1850 83 R 4.0044 7.9957 116.0500 59.5489 30.1851 179.0586 84 E 4.0101 8.1624 117.9157 59.3793 29.6800 178.8642 85 D 4.3497 8.5234 119.4148 57.2037 40.7816 178.6369 86 F 3.7801 8.4472 121.0212 61.0715 39.3695 176.9675 87 A 3.5660 8.1124 120.3464 54.9570 17.9187 179.4040 88 A 3.7596 7.7283 118.1288 55.3468 18.7737 179.8181 89 S 3.7044 7.4593 113.3469 61.5014 62.8323 176.8456 90 V 2.5351 6.4561 120.9770 65.9210 30.7942 178.2911 91 R 3.8658 7.1306 115.8003 58.2169 29.9232 178.0826 92 K 4.5285 7.2757 116.0165 55.2133 32.9472 176.5722 93 W 4.9221 7.4531 121.3354 54.5717 28.6152 175.3446 94 P 4.3699 0.0000 0.0000 64.8451 31.2657 178.1694 95 E 3.7336 8.0209 115.9585 57.9550 29.8554 176.3305 96 V 4.3666 7.3388 119.5732 61.8520 31.4210 175.1565 97 L 4.4797 8.5618 128.8976 56.8704 42.5118 177.4606 98 S 4.5953 7.7950 111.1364 57.1244 66.9819 172.9931 99 C 5.1832 7.5619 120.2731 58.5212 34.4499 172.9629 100 F 5.1098 9.4059 124.3247 55.5033 42.6604 174.0128 101 A 4.8398 8.9422 125.6290 51.3711 18.7568 176.5247 102 L 4.9199 7.6089 124.0155 52.9319 44.6811 177.1324 103 T 4.1386 8.6343 109.7496 63.2861 70.1024 176.1527 104 G 4.1000 7.5866 115.8453 45.2191 0.0000 174.4982 105 E 4.0400 8.7479 118.2884 59.0026 30.1355 177.6368 106 T 4.2417 7.7294 117.3547 62.9415 69.5016 174.8022 107 D 4.3059 8.9116 126.8162 57.0836 42.1522 175.9910 108 Y 5.3621 8.2445 115.2665 56.0945 42.4731 174.0748 109 L 5.2481 9.4219 126.4003 53.6574 44.2324 174.9022 110 L 5.4304 9.4581 126.6119 53.1810 44.9585 175.4182 111 Q 4.7967 8.9246 121.1807 54.0533 31.4783 174.5912 112 A 5.1578 8.6340 124.9230 50.1787 23.2131 174.4127 113 F 5.1464 8.4199 118.0381 55.7549 41.8379 175.0559 114 F 4.9584 9.3866 120.5890 55.9452 43.2967 176.0917 115 T 4.6161 9.2247 110.7524 64.3923 70.8294 174.2379 116 D 4.3387 8.2227 124.7181 53.5341 45.6187 176.6656 *118 N 4.6514 9.4005 115.2308 53.1043 41.0653 176.3311 119 A 4.0603 8.2872 119.7849 54.8707 18.3656 179.3139 120 F 2.9958 8.1987 119.2408 61.3482 39.3335 177.3783 121 S 3.9477 8.0749 112.0997 61.5338 62.1310 175.6337 122 H 4.0118 8.2261 118.8045 58.6230 28.3638 177.5037 123 F 4.0199 8.0945 122.3631 61.2013 39.2479 177.2064 124 V 2.9625 7.4249 117.9993 65.9374 31.0635 178.0506 125 L 3.8856 7.6729 117.3595 57.3147 41.6145 178.4254 126 D 4.5973 7.9937 116.7859 54.9706 41.4262 177.3694 127 T 4.1983 7.0541 112.6688 64.7642 70.8040 175.6487 128 L 3.6735 6.9190 122.0454 58.1350 41.9641 179.0457 129 L 4.0399 7.8900 118.4121 57.1968 41.7420 178.4212 130 S 4.3332 7.7710 110.9289 58.9844 63.8348 173.7859 131 H 4.2690 8.0863 123.7098 56.2691 29.9656 175.6582 132 H 4.2346 8.8372 122.7878 58.4866 28.5770 176.2950 133 G 3.8741 8.1226 105.8786 47.1284 0.0000 173.2739 134 V 4.2655 7.5910 121.6171 61.9838 31.9065 175.5099 135 Q 4.1703 9.1689 130.6855 58.7588 29.4798 174.9790 136 D 4.7622 7.6892 115.6870 53.4686 44.8867 173.1402 137 A 5.3625 8.3622 122.3945 50.4090 22.5049 175.4599 138 Q 4.7080 9.1610 117.4748 54.7622 32.4026 174.1448 139 S 5.1937 8.7299 115.6606 57.0102 67.1797 173.2495 140 S 4.7211 8.5784 116.8957 56.7822 66.6756 173.2189 141 F 5.2607 8.5146 119.1683 55.4524 42.8521 174.8892 142 V 3.8553 8.5711 121.8878 62.9902 31.0711 176.1553 143 L 4.2725 8.7701 128.5983 57.1107 42.1914 177.3925 144 K 4.3469 7.5742 116.0215 55.2742 34.9070 173.8443 145 E 4.4400 8.7791 127.2385 55.2213 30.0345 175.6198 146 I 4.0920 8.4084 127.7216 63.4140 37.9436 176.4431 147 K 4.4635 7.6666 118.1910 55.6318 34.8038 174.6429 148 H 4.6201 8.5179 125.6547 55.8339 30.9415 172.1055 149 T 4.6327 8.1564 120.6411 60.4851 70.4207 173.4407 150 T 4.3747 8.1742 113.5150 61.5407 69.8877 175.0325 151 S 4.3820 7.7880 119.9167 58.6038 63.0664 174.0324 152 L 4.3365 9.0113 126.9057 53.1935 42.2748 175.2376 153 P 4.4683 0.0000 0.0000 62.9324 31.9745 176.1231 154 L 4.6761 8.3144 119.1253 54.8006 44.1700 178.1848 155 N 4.3963 8.1519 115.8068 55.5234 38.7104 176.5661 156 H 4.1799 8.2408 113.1614 58.3043 28.4772 176.2520 157 L 4.1392 7.7620 118.4241 55.6584 41.7298 176.9102 158 L 4.2980 7.7460 124.2921 54.7325 41.7740 176.1132 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 3 Q 8.34 4.31 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 4 L 8.15 4.11 0.00 1.72 1.59 0.96 0.51 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 5 T 9.06 4.42 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 6 L 8.40 4.72 0.00 1.61 1.58 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.92 4.97 0.00 2.82 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 8 K 8.56 3.83 0.00 1.81 1.93 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.56 7.81 9 T 7.91 3.90 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 1.27 0.00 0.00 10 D 8.31 4.37 0.00 2.84 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 11 I 7.86 3.68 2.01 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 1.61 1.12 0.90 0.00 0.00 12 K 8.41 4.12 0.00 1.89 1.97 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.35 7.81 13 I 8.14 3.71 2.07 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 1.54 0.93 0.94 0.00 0.00 14 L 8.06 4.03 0.00 1.87 1.71 0.91 0.83 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 15 Q 8.82 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 16 V 8.12 3.70 2.30 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 1.14 0.00 0.00 0.96 0.00 0.00 17 L 8.11 4.27 0.00 1.81 1.85 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.12 4.04 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 19 E 7.73 4.50 0.00 1.99 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 2.29 2.34 0.00 20 N 8.27 5.03 0.00 2.79 2.70 0.00 0.00 6.74 8.46 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 21 G 8.20 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 0.00 0.00 0.00 22 R 7.69 4.42 0.00 1.74 1.88 0.00 3.24 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 23 L 7.46 4.21 0.00 1.64 1.59 0.93 0.85 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 24 T 8.85 4.08 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 25 N 8.59 4.23 0.00 2.83 2.84 0.00 0.00 6.51 7.71 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 26 V 7.62 3.65 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 1.15 0.00 0.00 0.92 0.00 0.00 27 E 8.00 3.90 0.00 2.21 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 2.32 2.31 0.00 28 L 8.17 3.97 0.00 1.82 1.85 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.40 4.17 0.00 4.34 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 30 E 7.99 4.06 0.00 2.16 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 2.49 2.49 0.00 31 R 7.89 4.13 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 32 V 7.49 4.13 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 0.81 0.00 0.00 1.00 0.00 0.00 33 A 8.09 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.50 4.84 0.00 1.64 1.54 0.93 0.63 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 35 S 8.36 4.27 0.00 3.88 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 36 P 0.00 4.24 0.00 2.19 2.10 0.00 3.65 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 2.11 2.16 0.00 37 S 8.02 4.07 0.00 3.88 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 38 P 0.00 4.26 0.00 2.30 2.30 0.00 3.77 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 2.28 2.03 0.00 39 C 8.13 4.04 0.00 3.13 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 40 L 8.17 3.92 0.00 1.92 1.83 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.04 3.87 0.00 1.93 2.07 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 42 R 8.31 4.06 0.00 2.07 2.03 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 43 L 8.02 4.00 0.00 1.85 1.67 1.04 0.61 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 44 K 7.95 4.10 0.00 1.94 2.01 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.65 7.81 45 Q 8.10 3.98 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 46 L 8.05 4.09 0.00 1.86 1.72 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.62 4.10 0.00 2.20 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 2.41 2.55 0.00 48 D 8.49 4.37 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 49 A 8.29 4.18 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 50 G 7.90 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 51 I 7.56 3.68 2.00 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 1.18 0.57 0.90 0.00 0.00 52 V 7.60 3.78 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 0.29 0.00 0.00 0.87 0.00 0.00 53 R 8.18 4.33 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 54 Q 7.25 4.45 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 55 Y 8.47 4.69 0.00 3.00 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 56 A 8.34 4.64 1.19 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 57 A 8.67 4.15 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 58 L 8.40 4.64 0.00 1.63 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.05 4.62 0.00 1.52 1.51 0.87 0.88 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 60 S 8.29 4.28 0.00 3.85 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 61 P 0.00 4.20 0.00 2.28 2.02 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.78 0.00 62 E 8.26 4.00 0.00 1.99 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 2.45 2.36 0.00 63 S 7.64 4.37 0.00 4.03 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 64 V 6.91 4.26 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 0.65 0.00 0.00 0.93 0.00 0.00 65 N 8.38 4.22 0.00 2.95 2.85 0.00 0.00 7.05 7.13 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 66 L 8.11 5.13 0.00 1.66 1.73 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 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 68 L 8.49 4.88 0.00 1.80 1.82 0.80 0.25 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 69 Q 8.82 4.61 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 70 A 8.88 4.87 1.13 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 0.00 0.00 71 F 9.11 4.99 0.00 2.80 2.96 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 72 I 9.09 4.79 2.10 0.00 0.00 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 1.51 0.90 1.10 0.00 0.00 73 R 9.21 4.97 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 74 V 9.09 4.75 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 0.55 0.00 0.00 1.12 0.00 0.00 75 S 9.18 5.04 0.00 3.88 3.69 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 76 I 8.75 4.46 2.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 1.04 0.00 0.00 77 R 8.73 3.99 0.00 1.85 1.87 0.00 3.22 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 78 K 8.64 4.23 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 79 A 7.61 4.73 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 80 K 8.48 3.93 0.00 1.72 1.75 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 81 D 9.06 4.55 0.00 2.95 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 82 A 7.82 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.00 4.00 0.00 1.97 2.18 0.00 3.21 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 84 E 8.16 4.01 0.00 2.00 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 2.44 2.36 0.00 85 D 8.52 4.35 0.00 2.82 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 86 F 8.45 3.78 0.00 2.99 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 87 A 8.11 3.57 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 88 A 7.73 3.76 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 89 S 7.46 3.70 0.00 3.17 3.26 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 90 V 6.46 2.54 1.53 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 0.78 0.00 0.00 -0.20 0.00 0.00 91 R 7.13 3.87 0.00 1.77 1.84 0.00 3.09 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 92 K 7.28 4.53 0.00 1.68 1.82 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.33 7.81 93 W 7.45 4.92 0.00 3.45 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 94 P 0.00 4.37 0.00 2.01 2.10 0.00 3.75 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 2.05 2.10 0.00 95 E 8.02 3.73 0.00 1.37 1.77 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 1.76 1.47 0.00 96 V 7.34 4.37 2.33 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 0.86 0.00 0.00 1.12 0.00 0.00 97 L 8.56 4.48 0.00 1.68 1.76 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.80 4.60 0.00 3.53 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 99 C 7.56 5.18 0.00 2.89 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 0.00 100 F 9.41 5.11 0.00 3.05 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 0.00 101 A 8.94 4.84 0.98 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 0.00 102 L 7.61 4.92 0.00 1.74 1.56 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.63 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 0.00 104 G 7.59 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.75 4.04 0.00 2.08 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 0.00 2.27 2.33 0.00 106 T 7.73 4.24 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 1.28 0.00 0.00 107 D 8.91 4.31 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.32 0.00 0.00 116 D 8.22 4.34 0.00 2.87 2.29 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 *118 N 9.40 4.65 0.00 3.07 2.96 0.00 0.00 6.72 8.11 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 0.00 119 A 8.29 4.06 1.55 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 0.00 0.00 120 F 8.20 3.00 0.00 2.75 2.94 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 0.00 0.00 0.00 121 S 8.07 3.95 0.00 3.96 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 0.00 122 H 8.23 4.01 0.00 3.48 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.09 4.02 0.00 3.20 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 0.00 124 V 7.42 2.96 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 0.82 0.00 0.00 -0.10 0.00 0.00 125 L 7.67 3.89 0.00 1.58 1.60 0.84 1.25 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 0.00 126 D 7.99 4.60 0.00 2.63 2.65 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 0.00 127 T 7.05 4.20 3.53 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 0.27 0.00 0.00 128 L 6.92 3.67 0.00 0.54 1.20 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.89 4.04 0.00 1.58 1.65 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.77 4.33 0.00 3.95 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 0.00 131 H 8.09 4.27 0.00 3.66 3.42 0.00 5.60 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 0.00 132 H 8.84 4.23 0.00 3.28 3.45 0.00 5.77 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 0.00 133 G 8.12 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 0.00 134 V 7.59 4.27 2.30 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 0.69 0.00 0.00 0.89 0.00 0.00 135 Q 9.17 4.17 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.41 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 136 D 7.69 4.76 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.36 5.36 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 0.00 138 Q 9.16 4.71 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 139 S 8.73 5.19 0.00 3.51 3.34 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 0.00 140 S 8.58 4.72 0.00 3.64 3.64 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 0.00 141 F 8.51 5.26 0.00 2.79 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 0.00 142 V 8.57 3.86 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 0.86 0.00 0.00 1.22 0.00 0.00 143 L 8.77 4.27 0.00 1.70 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.57 4.35 0.00 1.69 1.64 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.42 7.81 145 E 8.78 4.44 0.00 2.03 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 0.00 2.31 2.40 0.00 146 I 8.41 4.09 1.89 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 1.31 0.95 0.92 0.00 0.00 147 K 7.67 4.46 0.00 1.69 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.44 7.81 148 H 8.52 4.62 0.00 3.14 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.16 4.63 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 0.00 150 T 8.17 4.37 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 1.19 0.00 0.00 151 S 7.79 4.38 0.00 3.92 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 0.00 152 L 9.01 4.34 0.00 1.60 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.47 0.00 2.21 2.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 154 L 8.31 4.68 0.00 1.67 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.15 4.40 0.00 2.76 2.87 0.00 0.00 6.90 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 0.00 156 H 8.24 4.18 0.00 3.26 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.76 4.14 0.00 1.64 1.69 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.75 4.30 0.00 1.74 1.54 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.