NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3204 8.2644 123.5829 52.0526 20.1259 177.8800 3 R 4.0043 8.1530 122.4976 59.7143 32.1838 175.9635 4 R 3.9830 8.5448 116.5746 57.4605 29.6055 178.6782 5 R 4.2418 8.9205 128.9215 56.5168 32.9685 174.0140 6 R 4.3186 7.7727 110.9515 61.6140 29.9068 179.7670 7 A 3.7178 6.9138 118.2997 51.8414 16.0325 177.0097 8 E 4.0721 8.3414 118.6773 56.7952 30.2843 177.3509 9 V 3.5540 8.1066 120.4399 62.4140 31.6949 175.7094 10 R 3.9407 8.4738 127.9514 56.4066 29.3261 176.0209 11 Q 4.2966 8.3475 124.3028 55.7323 29.5369 175.8287 12 L 4.8950 7.8898 118.3712 52.6391 45.4973 176.7997 13 Q 4.1072 8.5263 120.5170 55.0144 29.2834 175.4608 14 P 4.4640 0.0000 0.0000 62.9843 31.6246 174.1958 15 D 4.8732 8.2478 116.3907 53.1157 42.2683 177.4060 16 L 4.2410 8.6674 123.4510 56.0249 41.0875 177.0817 17 V 4.1889 7.6431 117.0416 64.1711 33.6447 176.0369 18 Y 4.0878 9.5070 118.7602 58.4900 38.3145 177.4751 19 G 3.9864 8.5483 106.2381 45.1854 0.0000 172.4698 20 D 4.6845 7.8428 120.2293 53.1500 42.3341 176.7471 21 V 3.6500 8.7328 121.8118 63.9472 31.5391 177.9437 22 L 3.9150 8.1860 119.6636 58.4581 41.5639 179.1706 23 V 2.8107 7.6276 117.4601 66.2595 31.1134 177.6347 24 T 4.0887 7.9552 114.3924 66.7584 68.3599 175.7095 25 A 4.0180 8.2440 122.4997 55.4392 18.5397 179.4974 26 F 4.0077 8.4701 119.0616 61.5898 39.3419 177.3954 27 I 3.5326 8.1431 118.6303 63.6561 36.9943 177.9739 28 N 4.4169 7.9883 117.9196 56.1481 38.4682 177.5449 29 K 3.8713 7.4269 117.4805 59.1964 32.0606 179.0587 30 I 3.7648 7.0325 119.3191 63.1368 37.3624 176.3752 31 M 4.2200 7.0742 118.0330 55.7959 32.4616 175.3359 32 R 4.4018 8.3745 115.7291 56.6232 31.8750 174.8246 33 D 4.3169 9.3370 119.6759 55.0333 38.0035 174.2733 34 G 3.9301 8.2119 104.2477 46.7868 0.0000 176.4747 35 K 4.3057 7.4011 119.8801 54.2759 28.7535 177.5091 36 K 3.8614 7.9035 122.0762 59.2915 32.3839 176.9740 37 N 4.3215 7.8326 116.2950 56.5501 39.3045 176.4855 38 L 3.9334 8.0626 120.9742 57.8272 41.8100 178.6483 39 A 4.1733 7.8632 119.6373 54.5476 19.1549 178.7489 40 A 3.8635 7.6538 118.8871 56.3836 18.5003 179.2047 41 R 3.9892 8.8580 116.0267 59.0563 29.9451 179.6576 42 I 3.5862 7.7383 118.0635 64.5068 37.4755 177.8860 43 F 4.2345 8.4926 121.8486 61.4756 39.1775 176.8524 44 Y 4.1332 7.7889 116.2370 61.3667 37.5894 177.9188 45 D 4.5962 8.3981 118.4480 57.2961 41.1163 178.6848 46 A 4.1627 7.8786 121.4180 55.3098 18.4931 179.4633 47 C 3.9725 7.8371 115.3742 62.4753 27.8077 175.4413 48 K 4.4987 8.2692 118.2364 56.6141 31.7511 177.4086 49 I 4.3815 7.6574 122.5382 62.4606 39.3203 177.7392 50 I 3.8489 7.4141 118.6684 63.1872 36.5269 177.0887 51 Q 4.4076 7.1754 120.0826 56.8047 29.2582 177.0422 52 E 4.1537 8.0421 116.5565 57.9252 29.8664 178.1843 53 K 4.6835 8.9645 115.6717 56.4710 35.6987 176.2135 54 T 4.6661 7.4594 115.7213 62.3110 72.6099 174.8339 55 G 3.8616 8.5821 112.9893 47.0450 0.0000 174.2484 56 Q 4.2842 7.7337 118.4684 55.1125 29.5750 175.7191 57 E 4.1757 8.5159 120.0478 55.7172 30.2058 175.3103 58 P 4.2861 0.0000 0.0000 66.3543 31.1228 178.0924 59 L 3.6137 7.6634 119.1628 57.2530 42.2489 178.4755 60 K 3.8424 8.2802 118.6235 59.8778 32.1535 178.8262 61 V 3.5301 8.0593 118.1003 66.5853 31.5190 177.0172 62 F 3.8995 8.4590 119.0356 61.9372 38.7901 176.7872 63 K 3.5756 8.8007 120.6561 59.0343 31.8357 179.0096 64 Q 3.9930 7.8573 119.9577 58.9252 29.1071 177.3959 65 A 3.9111 8.1741 122.1182 55.2885 18.5467 179.3637 66 V 3.2818 7.2431 116.5417 66.4374 31.2318 177.9189 67 E 3.9730 7.5375 115.6784 58.4847 29.4965 177.4374 68 N 4.7007 8.3865 114.7011 53.7425 39.3070 176.0791 69 V 4.4258 7.2753 117.9137 61.7223 32.1248 175.3254 70 K 4.1639 7.5605 118.2452 55.5120 32.1761 174.7182 71 P 4.7628 0.0000 0.0000 62.7350 32.4835 176.6058 72 R 4.1896 8.9290 121.0708 58.7194 31.2114 176.0687 73 M 5.3474 7.5334 115.4965 53.5807 36.1871 174.1080 74 E 4.8065 8.2179 116.4777 56.3764 33.3974 174.7720 75 V 4.9837 8.4646 112.8294 59.8376 34.6319 175.8814 76 R 4.6750 8.9906 122.5624 54.2601 33.8788 175.1856 77 S 4.6904 8.9271 118.6576 58.5563 63.5151 172.8554 78 R 4.3055 8.1508 119.0875 55.2031 33.0303 174.3717 79 R 4.6080 8.1046 125.9161 55.1029 28.1519 176.5080 80 V 3.4736 7.7067 119.4276 61.7533 30.8882 175.4762 81 G 3.4297 8.4512 118.4204 46.0537 0.0000 171.3833 82 G 3.9832 7.9776 112.4379 45.8150 0.0000 173.8910 83 A 4.0179 7.2835 123.1028 51.5616 19.1219 175.5185 84 N 5.6462 8.2644 117.2346 51.2143 40.5603 174.4665 85 Y 4.6280 8.3428 120.7237 55.7754 40.2481 174.4774 86 Q 4.0306 8.7451 124.3781 56.5276 30.0645 176.3239 87 V 4.4291 8.6830 125.2600 61.0684 33.3363 173.2572 88 P 5.2325 0.0000 0.0000 62.7637 32.5467 175.0780 89 M 4.4435 8.5612 116.8061 54.1868 34.6159 173.9624 90 E 4.1855 8.9534 120.3027 57.3234 30.4358 176.4365 91 V 4.1829 8.1124 122.7352 60.9703 33.2146 175.7612 92 S 4.0761 8.7024 121.6387 58.2141 62.5495 173.2715 93 P 4.3615 0.0000 0.0000 65.3868 30.7874 178.0309 94 R 4.1603 7.6834 118.1111 58.8255 30.5248 178.0124 95 R 3.8057 7.8854 117.8476 59.6157 29.8935 177.6944 96 Q 3.7748 8.3885 118.2687 58.9511 28.6234 178.3661 97 Q 3.7994 7.9669 119.4018 59.6760 28.9475 178.8398 98 S 4.0296 7.5936 115.8266 61.8658 62.8467 177.1646 99 L 3.2615 7.6754 120.7713 57.5860 41.1434 178.8360 100 A 3.9853 7.8874 120.7398 55.4476 18.0625 179.3033 101 L 4.0821 8.1833 116.2659 58.0523 41.9345 179.5913 102 R 3.8880 8.0697 118.4262 59.6170 29.8546 178.1446 103 W 4.6257 8.6647 119.0239 60.8130 29.0147 177.6330 104 L 4.1980 8.6567 118.3617 57.9984 41.0024 179.3093 105 V 3.3040 8.1953 118.0614 66.5803 31.3786 178.4205 106 Q 3.9406 8.0624 117.9647 59.1298 29.3070 177.8204 107 A 4.1186 9.0691 122.4294 55.1845 18.5122 179.0114 108 A 4.0226 8.8705 120.4820 55.8205 18.1320 179.4641 109 N 4.5371 7.9726 111.2205 53.7630 38.8737 175.9910 110 Q 4.5367 8.2068 118.3685 55.6229 30.4218 176.2390 111 R 4.3103 7.7680 117.6663 55.3653 31.2647 173.8016 112 P 4.6432 0.0000 0.0000 64.2120 32.6373 175.9682 113 E 3.9116 8.2393 115.1121 56.6467 29.6228 177.2906 114 R 3.9818 8.6999 121.6293 59.2444 30.7309 177.4733 115 R 3.9347 7.9422 118.1617 55.8323 30.1052 176.3234 116 A 3.9053 8.8627 125.3404 55.7934 18.2989 179.3712 117 A 3.8803 7.6243 116.8915 55.1075 18.3256 179.5992 118 V 3.4374 7.9214 116.5254 65.9348 31.5983 178.3806 119 R 4.1204 7.8871 117.1967 59.5698 30.0111 178.5779 120 I 3.8529 7.9558 118.5476 64.4202 37.2546 177.7653 121 A 4.0352 7.9634 120.8786 56.5106 18.2436 178.7940 122 H 4.2558 9.7987 114.9192 58.1774 28.6354 177.3698 123 E 3.9168 9.3395 121.0318 59.8501 29.7133 179.3759 124 L 3.9810 8.2557 118.6860 58.2451 41.7611 179.0603 125 M 3.9859 8.0342 117.9289 58.8776 32.0839 178.3979 126 D 4.3463 8.0898 118.2588 57.5625 40.8575 178.7394 127 A 4.0990 8.3780 120.8630 54.5491 18.4120 178.8844 128 A 4.0585 8.2064 117.6685 55.7301 18.4828 179.1077 129 E 4.1256 8.3779 115.7311 60.6111 29.6916 177.6291 130 G 3.6111 7.4291 105.3496 44.7622 0.0000 172.6962 131 K 4.5713 8.0876 119.7294 54.1493 35.9198 175.3714 132 G 4.1525 9.1396 105.3539 44.9865 0.0000 174.8934 133 G 3.8461 8.9901 107.9104 48.2281 0.0000 175.3750 134 A 4.0702 8.5760 123.0535 54.7309 18.3745 179.5395 135 V 3.5593 7.8202 115.4047 66.2743 31.4879 177.4323 136 K 4.5258 8.0543 120.2219 59.0286 31.7585 178.1832 137 K 3.3934 7.6427 116.6003 59.4270 32.1401 178.7884 138 K 3.7751 7.1620 118.8110 59.9591 32.1557 178.3157 139 E 3.9628 8.8941 119.4850 59.6210 29.1462 179.2654 140 D 4.3004 8.1043 118.1385 57.3079 41.1823 178.5308 141 V 3.6835 8.3057 119.0656 66.1844 31.0712 177.5760 142 E 3.9920 8.1577 117.5455 59.7710 29.1645 179.7543 143 R 3.7952 7.5181 116.3655 59.6017 30.2339 178.5515 144 M 4.1906 7.7978 116.6038 58.3366 32.5963 177.7233 145 A 4.2403 7.5898 119.1894 52.3533 20.3416 176.7645 146 E 3.6623 8.7971 115.7240 57.0783 27.2043 176.5298 147 A 4.6464 7.9282 118.0062 52.6338 20.5918 178.2694 148 N 4.9588 8.2907 111.8369 55.7485 41.8773 176.6165 149 R 3.8126 8.2978 120.3910 59.4632 30.1991 178.2554 150 A 3.9039 7.3798 115.9236 53.1833 17.7515 177.4138 151 Y 4.5106 8.1625 112.0736 58.2683 40.9749 176.6085 152 A 4.2448 8.0295 122.9342 54.0455 18.4647 177.9557 153 H 4.7151 8.1069 110.2872 56.6131 29.4428 174.9606 154 Y 5.0740 8.7099 118.2548 62.2565 39.8517 178.3152 155 R 3.2089 7.8399 113.1068 54.6614 31.6461 176.2401 156 W 4.0483 9.5402 135.0000 58.7026 31.5656 172.4661 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 8.26 4.32 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 3 R 8.15 4.00 0.00 1.87 1.96 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 4 R 8.54 3.98 0.00 1.84 1.58 0.00 3.42 0.00 0.00 3.15 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 5 R 8.92 4.24 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 6 R 7.77 4.32 0.00 1.77 1.81 0.00 3.31 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 7 A 6.91 3.72 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 8 E 8.34 4.07 0.00 2.06 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 2.28 2.36 0.00 9 V 8.11 3.55 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 0.82 0.00 0.00 0.92 0.00 0.00 10 R 8.47 3.94 0.00 1.80 1.86 0.00 3.28 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 11 Q 8.35 4.30 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 12 L 7.89 4.89 0.00 1.55 1.51 0.94 0.91 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 13 Q 8.53 4.11 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.46 0.00 2.26 2.14 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 15 D 8.25 4.87 0.00 2.85 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 16 L 8.67 4.24 0.00 1.78 1.73 0.96 0.91 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 17 V 7.64 4.19 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 0.29 0.00 0.00 0.51 0.00 0.00 18 Y 9.51 4.09 0.00 3.04 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 19 G 8.55 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 0.00 0.00 0.00 20 D 7.84 4.68 0.00 2.78 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 21 V 8.73 3.65 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 0.91 0.00 0.00 0.95 0.00 0.00 22 L 8.19 3.91 0.00 1.83 2.00 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.63 2.81 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 0.51 0.00 0.00 0.53 0.00 0.00 24 T 7.96 4.09 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 25 A 8.24 4.02 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.47 4.01 0.00 3.25 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 27 I 8.14 3.53 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.38 0.81 0.00 0.00 28 N 7.99 4.42 0.00 2.86 2.78 0.00 0.00 6.82 7.21 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 29 K 7.43 3.87 0.00 1.60 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.58 7.81 30 I 7.03 3.76 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.09 0.84 0.00 0.00 31 M 7.07 4.22 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 32 R 8.37 4.40 0.00 1.96 1.93 0.00 3.11 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 33 D 9.34 4.32 0.00 2.86 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 34 G 8.21 3.93 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 0.00 0.00 0.00 35 K 7.40 4.31 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.68 7.81 36 K 7.90 3.86 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 37 N 7.83 4.32 0.00 2.89 2.80 0.00 0.00 6.61 6.54 0.00 0.00 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 L 8.06 3.93 0.00 1.80 1.86 0.93 1.06 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 39 A 7.86 4.17 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 40 A 7.65 3.86 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.86 3.99 0.00 1.89 2.17 0.00 3.20 0.00 0.00 3.21 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 42 I 7.74 3.59 2.05 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 1.43 0.74 0.98 0.00 0.00 43 F 8.49 4.23 0.00 2.99 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 44 Y 7.79 4.13 0.00 3.39 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 45 D 8.40 4.60 0.00 2.62 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 46 A 7.88 4.16 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 47 C 7.84 3.97 0.00 3.06 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 48 K 8.27 4.50 0.00 1.81 1.82 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.62 7.81 49 I 7.66 4.38 2.07 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 1.29 1.06 0.91 0.00 0.00 50 I 7.41 3.85 1.98 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 1.31 1.07 0.93 0.00 0.00 51 Q 7.18 4.41 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 52 E 8.04 4.15 0.00 1.96 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 0.00 2.33 2.36 0.00 53 K 8.96 4.68 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.51 7.81 54 T 7.46 4.67 4.60 0.00 0.00 0.00 0.00 0.00 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 55 G 8.58 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 56 Q 7.73 4.28 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 E 8.52 4.18 0.00 2.02 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 0.00 2.36 2.40 0.00 58 P 0.00 4.29 0.00 2.23 2.56 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 59 L 7.66 3.61 0.00 2.12 1.86 0.93 0.70 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 60 K 8.28 3.84 0.00 1.91 1.88 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 61 V 8.06 3.53 2.31 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 0.90 0.00 0.00 1.07 0.00 0.00 62 F 8.46 3.90 0.00 3.12 3.21 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 63 K 8.80 3.58 0.00 1.77 1.87 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.70 7.81 64 Q 7.86 3.99 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 65 A 8.17 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 66 V 7.24 3.28 1.69 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 0.81 0.00 0.00 0.07 0.00 0.00 67 E 7.54 3.97 0.00 1.95 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 2.29 2.37 0.00 68 N 8.39 4.70 0.00 2.79 2.84 0.00 0.00 6.84 7.65 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 69 V 7.28 4.43 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 1.24 0.00 0.00 1.01 0.00 0.00 70 K 7.56 4.16 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.64 7.81 71 P 0.00 4.76 0.00 2.50 2.50 0.00 3.54 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 72 R 8.93 4.19 0.00 1.82 2.01 0.00 3.06 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 73 M 7.53 5.35 0.00 1.85 1.96 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 2.48 2.43 0.00 74 E 8.22 4.81 0.00 2.00 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 0.00 2.08 2.19 0.00 75 V 8.46 4.98 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 0.79 0.00 0.00 0.98 0.00 0.00 76 R 8.99 4.67 0.00 1.63 1.94 0.00 2.88 0.00 0.00 2.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 77 S 8.93 4.69 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.15 4.31 0.00 2.08 1.79 0.00 3.35 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 79 R 8.10 4.61 0.00 1.56 1.73 0.00 3.35 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 80 V 7.71 3.47 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 81 G 8.45 3.43 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 0.00 82 G 7.98 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 83 A 7.28 4.02 1.06 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 84 N 8.26 5.65 0.00 2.60 2.74 0.00 0.00 7.07 7.46 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 85 Y 8.34 4.63 0.00 2.68 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 0.00 0.00 0.00 86 Q 8.75 4.03 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 87 V 8.68 4.43 2.48 0.00 0.00 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 1.35 0.00 0.00 88 P 0.00 5.23 0.00 2.14 2.08 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 89 M 8.56 4.44 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 90 E 8.95 4.19 0.00 1.82 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 2.30 2.30 0.00 91 V 8.11 4.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.00 0.00 0.00 92 S 8.70 4.08 0.00 3.84 3.74 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 93 P 0.00 4.36 0.00 2.23 2.16 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 94 R 7.68 4.16 0.00 1.95 1.91 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 95 R 7.89 3.81 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 96 Q 8.39 3.77 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 97 Q 7.97 3.80 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 98 S 7.59 4.03 0.00 3.88 3.83 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 99 L 7.68 3.26 0.00 1.05 0.13 0.69 0.51 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 0.00 100 A 7.89 3.99 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 0.00 101 L 8.18 4.08 0.00 1.70 1.87 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.07 3.89 0.00 1.91 1.95 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 103 W 8.66 4.63 0.00 3.64 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 0.00 104 L 8.66 4.20 0.00 2.23 1.98 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.20 3.30 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 0.91 0.00 0.00 0.49 0.00 0.00 106 Q 8.06 3.94 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 107 A 9.07 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.02 1.44 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 0.00 0.00 109 N 7.97 4.54 0.00 2.85 2.85 0.00 0.00 6.97 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 0.00 110 Q 8.21 4.54 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 111 R 7.77 4.31 0.00 1.99 2.14 0.00 3.29 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 112 P 0.00 4.64 0.00 2.17 2.16 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 113 E 8.24 3.91 0.00 2.10 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 0.00 2.33 2.35 0.00 114 R 8.70 3.98 0.00 1.83 2.04 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 R 7.94 3.93 0.00 1.87 1.88 0.00 3.16 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 116 A 8.86 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 0.00 117 A 7.62 3.88 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 0.00 118 V 7.92 3.44 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 0.69 0.00 0.00 0.91 0.00 0.00 119 R 7.89 4.12 0.00 2.08 2.22 0.00 3.48 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 120 I 7.96 3.85 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.96 1.36 0.00 0.00 121 A 7.96 4.04 1.44 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 0.00 0.00 122 H 9.80 4.26 0.00 3.44 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.34 3.92 0.00 2.16 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 0.00 2.49 2.54 0.00 124 L 8.26 3.98 0.00 2.07 1.76 1.13 0.83 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 0.00 125 M 8.03 3.99 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.64 0.00 126 D 8.09 4.35 0.00 2.98 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 0.00 127 A 8.38 4.10 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 0.00 128 A 8.21 4.06 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 0.00 129 E 8.38 4.13 0.00 2.11 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 0.00 2.47 2.49 0.00 130 G 7.43 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.57 0.00 1.89 1.91 0.00 1.47 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 132 G 9.14 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 0.00 133 G 8.99 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 0.00 0.00 0.00 134 A 8.58 4.07 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 0.00 135 V 7.82 3.56 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.99 0.00 0.00 136 K 8.05 4.53 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.30 7.81 137 K 7.64 3.39 0.00 0.79 0.77 0.00 1.28 0.00 0.00 1.14 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.32 7.81 138 K 7.16 3.78 0.00 1.99 2.02 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 2.02 1.96 7.81 139 E 8.89 3.96 0.00 2.14 1.95 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 2.31 2.53 0.00 140 D 8.10 4.30 0.00 2.59 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 0.00 141 V 8.31 3.68 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 1.22 0.00 0.00 1.01 0.00 0.00 142 E 8.16 3.99 0.00 2.07 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 2.38 2.58 0.00 143 R 7.52 3.80 0.00 1.99 2.00 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 144 M 7.80 4.19 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 145 A 7.59 4.24 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 0.00 146 E 8.80 3.66 0.00 2.04 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 2.24 2.23 0.00 147 A 7.93 4.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.29 4.96 0.00 2.83 3.05 0.00 0.00 6.98 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 0.00 149 R 8.30 3.81 0.00 1.75 1.96 0.00 3.27 0.00 0.00 3.75 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 150 A 7.38 3.90 0.62 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 0.00 0.00 151 Y 8.16 4.51 0.00 3.07 2.87 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 0.00 152 A 8.03 4.24 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 0.00 153 H 8.11 4.72 0.00 3.32 3.36 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.71 5.07 0.00 3.18 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 0.00 155 R 7.84 3.21 0.00 1.96 1.49 0.00 3.52 0.00 0.00 3.24 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 156 W 9.54 4.05 0.00 3.39 3.45 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