NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8384 8.3544 109.7234 44.8632 0.0000 173.9954 4 D 4.1570 8.6580 123.4722 54.0216 42.6860 175.7855 5 K 3.9290 8.8371 127.4199 59.4194 32.7961 178.4156 6 K 3.9674 8.1161 119.4880 58.9353 32.1697 178.7755 7 V 3.6925 7.9631 118.4517 66.1439 31.4361 178.1359 8 I 3.8541 7.5163 119.5634 64.2642 36.9621 178.4404 9 Q 3.9911 7.9890 118.8261 59.0861 28.3878 178.5225 10 H 4.1473 8.1298 117.2161 58.8832 28.7356 177.7059 11 L 4.0035 8.3130 121.1744 58.1571 41.4788 179.5311 12 N 4.3468 8.3476 116.1975 55.8156 38.5195 177.5881 13 K 3.9260 7.8986 121.1383 59.4432 32.3177 178.7588 14 I 3.6709 7.9792 120.3953 64.5431 37.0386 177.8075 15 L 4.0129 8.1937 121.2313 58.5811 41.2624 179.4346 16 G 3.5809 8.2031 105.1892 47.6288 0.0000 175.5230 17 N 4.4234 8.0131 118.4679 56.1352 38.5621 177.2121 18 E 3.9851 8.3483 120.1044 59.4473 29.4170 179.5057 19 L 3.9361 8.1146 118.9647 57.8403 41.7088 179.4720 20 I 3.6226 7.3605 118.4332 64.4566 37.0084 178.4014 21 A 3.3225 7.9352 121.3896 54.6621 18.1205 179.3927 22 I 3.6052 7.8728 118.8759 65.0624 37.2840 178.3344 23 N 4.4456 7.7966 116.8499 55.9111 38.3963 177.5680 24 Q 3.8246 8.0208 121.1145 59.4546 29.1563 177.8546 25 Y 4.7042 8.0701 118.2684 61.0159 37.8195 178.1439 26 F 3.9128 8.4326 121.6905 61.2203 39.5326 176.9188 27 L 3.9788 8.1205 119.8856 58.4194 41.7935 178.4677 28 H 3.8354 8.1944 116.0859 59.2603 28.5976 176.9986 29 S 4.3170 8.4882 114.6748 62.2489 62.1479 176.3023 30 R 3.8175 8.2223 120.1586 59.5933 30.0262 179.0611 31 M 3.4738 8.0867 118.5582 58.0141 31.9187 178.6851 32 W 4.6818 8.1112 119.1901 60.1277 29.3894 178.1023 33 N 4.3637 8.6220 116.6977 56.7211 37.7848 176.9486 34 D 4.3489 7.6503 117.8295 56.7337 41.3678 177.6078 35 W 4.8856 7.8624 117.3011 57.2716 29.3256 177.3025 36 G 4.0286 8.2860 107.5773 45.5204 0.0000 174.0660 37 L 4.8070 8.0838 121.9690 53.5411 40.2155 177.5738 38 K 4.1659 8.4773 119.7233 57.9482 32.5881 179.0111 39 R 3.8914 7.8911 120.0761 59.1845 30.0088 178.1788 40 L 3.7995 7.7477 118.4535 57.5094 41.5212 179.1399 41 G 3.9936 8.3099 105.7135 48.3026 0.0000 175.5109 42 A 4.0179 8.0454 123.7525 54.6280 18.5555 179.1796 43 H 3.9908 8.2537 116.8480 59.3950 29.9760 177.1076 44 E 3.9639 8.4931 121.2619 59.3704 29.5566 177.7843 45 Y 4.0584 8.1768 119.6300 61.4603 38.7191 178.2764 46 H 4.0964 8.0619 116.2756 58.5349 28.8196 177.7476 47 E 3.8039 7.9388 120.4583 59.2458 29.3591 179.0775 48 S 4.2907 8.0392 113.2072 61.6463 62.4433 176.4189 49 I 3.6367 7.4758 122.2768 64.2230 36.8834 177.8744 50 D 4.2649 8.1148 119.8973 57.7562 40.6306 179.0968 51 E 4.1351 8.0997 118.3347 59.5469 29.4136 179.2902 52 M 4.0376 7.9489 118.5701 58.3756 32.0494 178.9615 53 K 4.0299 8.0344 118.6329 59.5855 32.1524 179.2455 54 H 4.2928 8.0025 116.0233 58.6002 28.5434 177.3560 55 A 3.9838 8.2862 123.0420 55.4843 18.1365 179.0763 56 D 4.2776 8.1760 116.1804 57.6064 41.2288 178.7458 57 K 4.0016 8.0390 118.7456 59.3954 32.0182 179.4516 58 L 4.0342 8.0402 119.3660 57.7322 41.5528 179.4860 59 I 3.7208 8.0956 120.1324 64.4238 37.0369 178.2857 60 E 3.9876 8.3886 119.4587 59.4783 29.2910 179.4905 61 R 4.0022 8.1967 118.6952 59.4366 30.0812 178.6061 62 I 3.7333 7.9714 119.6578 64.5172 37.1426 178.4624 63 L 3.9896 8.1374 119.7888 57.6478 41.1431 179.4193 64 F 4.3345 7.9654 120.0764 61.1662 39.4512 176.4617 65 L 3.9682 7.8824 115.0769 54.3044 41.3624 176.7142 66 E 3.6732 7.7494 117.3813 57.3207 27.2541 174.8326 67 G 3.8666 8.0368 108.6764 44.4044 0.0000 173.9118 68 L 4.5357 7.9708 118.8936 51.8902 42.2395 175.0842 69 P 4.2995 0.0000 0.0000 62.6339 31.7051 175.8649 70 N 4.7004 9.7689 122.9951 52.4522 38.8072 173.9950 71 L 4.6373 8.3601 124.4094 54.6021 42.4854 177.3428 72 Q 4.0598 8.8078 122.4471 58.0893 29.3314 175.6846 73 D 4.5345 8.1381 118.2424 53.0809 40.8887 175.4221 74 L 4.5447 8.3048 127.0462 52.8499 43.5306 176.7285 75 G 3.7799 8.2799 117.6550 44.8501 0.0000 171.5130 76 K 4.1438 8.4449 122.7929 55.2774 32.0733 177.7641 77 L 3.9899 8.4143 127.0318 54.9427 42.0313 177.3659 78 L 4.4858 8.6789 123.6496 53.1750 41.4630 175.2908 79 I 4.2465 8.0507 124.2602 59.5019 38.0254 176.7872 80 G 4.0077 8.6790 115.1454 44.9615 0.0000 172.4686 81 E 4.7919 8.6303 114.6440 55.3142 30.5635 175.4066 82 N 4.9365 7.7114 116.8420 50.7246 41.8655 175.0269 83 T 4.4155 8.5224 116.7170 67.3092 68.6472 176.4843 84 Q 4.0372 8.2656 120.6557 59.2695 29.0048 178.0339 85 E 4.0428 8.3274 119.7967 59.4303 29.4766 179.1015 86 M 3.9179 8.2867 118.8204 58.5684 32.1671 178.8862 87 L 4.2158 8.2327 118.9829 57.8476 41.7559 179.4720 88 Q 4.0163 8.1013 119.1989 59.2572 28.9996 177.8528 89 C 4.2014 8.4217 118.0261 63.0732 28.1861 175.9067 90 D 4.7155 8.3138 120.4313 57.3028 40.3598 178.6458 91 L 3.9844 7.9338 120.4184 58.2722 42.2566 178.6780 92 N 4.3642 8.3408 116.4883 56.3576 38.4791 177.1735 93 L 4.0441 8.1183 121.7231 58.1734 42.1130 178.8423 94 E 4.1868 8.3406 118.6184 59.0557 29.3016 179.1942 95 L 4.0181 8.4006 119.8000 57.6091 41.5426 179.4061 96 K 3.9715 8.1110 119.2219 59.3327 32.1992 178.8619 97 A 4.0124 8.0659 121.1746 55.4077 18.3605 179.4749 98 T 3.8527 8.2520 114.6927 66.7811 68.3895 176.6022 99 K 3.9451 7.8489 121.2604 59.7937 32.3293 178.7427 100 D 4.4277 7.9410 118.7931 56.9825 40.5270 178.9706 101 L 3.9252 7.7965 119.3273 57.9697 41.7515 179.3109 102 R 3.9145 8.0213 117.8997 59.7129 29.8825 179.0085 103 E 4.0144 8.0871 117.9299 59.0883 29.4294 179.1939 104 A 3.6003 7.9586 121.0119 55.0908 18.3026 179.7649 105 I 3.6577 7.9940 118.5594 64.3097 37.1042 178.8799 106 V 3.5739 7.7955 119.2063 66.3700 31.5420 177.6868 107 H 4.1273 7.9733 117.9294 59.2828 29.5584 176.9872 108 C 4.0872 8.2450 118.8813 62.6300 27.7300 175.6918 109 E 3.8949 7.9290 121.0157 59.3483 29.0407 178.7747 110 Q 3.9355 7.7500 116.9779 58.3786 28.8373 178.4373 111 V 3.9847 7.0263 109.1855 60.6496 32.0223 175.6427 112 H 3.1247 7.1441 114.5466 57.1247 26.5425 176.2981 113 D 4.5655 7.4746 120.5281 53.5364 38.3267 175.5283 114 Y 4.3960 7.6316 121.3237 60.2140 38.4640 177.5062 115 V 3.6924 7.8347 119.2390 66.0972 31.7318 178.1353 116 S 4.2128 8.2619 114.5271 61.2548 62.5950 176.6896 117 R 3.8712 7.9879 121.5635 59.5855 30.0440 178.1409 118 D 4.4824 8.2332 117.8234 56.9896 41.1292 177.9747 119 L 3.9313 7.9511 120.9788 58.2985 42.2883 179.0516 120 L 4.0218 8.1439 119.0444 57.4741 41.4763 179.5015 121 K 3.9454 8.6098 120.1286 59.5104 32.1897 178.5708 122 D 4.3557 7.9728 118.7675 57.6175 40.7928 178.7368 123 I 3.5057 7.6604 120.1829 64.2603 36.9535 178.3282 124 L 3.9096 7.7590 120.8759 58.1933 42.1385 178.4453 125 E 3.9565 8.2820 119.3107 59.5483 29.5630 178.8260 126 S 4.3547 7.9275 112.6461 61.2941 62.4019 175.9598 127 E 4.2424 8.2171 121.4723 59.1979 29.1837 178.9558 128 E 4.0083 8.6733 119.2732 59.4740 29.5424 179.1666 129 E 4.0182 8.1972 118.3533 59.7050 29.5147 178.9485 130 H 4.3765 8.2048 117.9825 59.2703 29.9022 177.2862 131 I 3.7035 8.0742 121.8613 64.4470 36.8839 177.7191 132 D 4.3460 8.3413 118.8368 57.6524 41.0656 177.7801 133 Y 4.0573 8.0802 119.7937 60.7569 38.8230 178.0330 134 L 3.7948 8.1313 119.9659 57.4671 41.6741 179.3562 135 E 3.8468 8.5547 118.9924 59.7635 29.4709 179.1026 136 T 3.8200 7.9128 115.8551 67.0312 68.5440 176.4314 137 Q 3.7416 7.7302 119.2994 58.9772 28.8240 178.9296 138 L 3.9144 7.7798 120.0188 57.5977 41.5325 179.7935 139 G 3.6747 8.3713 105.9603 47.1850 0.0000 175.9803 140 L 4.0025 7.7613 121.5324 57.7553 41.1863 179.2397 141 I 3.5271 7.2605 119.7011 64.5108 36.6774 178.4452 142 Q 4.0376 7.3819 116.7276 58.6326 28.6676 178.3120 143 K 4.1486 7.6865 118.5133 58.5847 32.2799 178.8510 144 V 4.1993 8.1532 110.0615 59.6272 33.1259 176.2096 145 G 4.1439 7.4313 106.3331 45.7625 0.0000 174.3763 146 L 3.9675 8.5281 122.8375 58.3417 41.9258 179.5160 147 E 4.0685 8.1219 117.7862 59.2766 29.5565 178.8311 148 N 4.3356 8.1051 116.2693 56.3680 38.4596 176.6744 149 Y 4.0458 7.7571 119.7996 60.4889 39.1256 177.8146 150 L 3.9904 8.1251 119.9322 57.8435 41.9100 178.8466 151 Q 3.9026 8.1589 119.7403 59.6656 28.7041 178.7386 152 S 4.4011 7.7093 112.2194 59.7049 63.1047 174.2823 153 H 4.6836 7.9825 119.2575 55.6990 29.7012 175.8772 154 M 4.1264 7.9552 120.4797 57.8371 31.9313 176.0233 155 H 5.2344 7.5340 114.0170 53.7421 31.3272 174.6295 156 E 4.1355 8.6436 120.5570 56.8199 29.3276 176.9490 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 G 8.35 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 4 D 8.66 4.16 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.84 3.93 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 K 8.12 3.97 0.00 1.83 1.58 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.54 7.81 7 V 7.96 3.69 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 1.10 0.00 0.00 1.08 0.00 0.00 8 I 7.52 3.85 1.97 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 1.52 0.64 0.90 0.00 0.00 9 Q 7.99 3.99 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.13 4.15 0.00 3.36 3.32 0.00 5.63 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 11 L 8.31 4.00 0.00 1.80 1.75 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.35 4.35 0.00 2.86 2.85 0.00 0.00 6.69 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.90 3.93 0.00 1.84 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.98 3.67 2.03 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 1.71 0.70 0.92 0.00 0.00 15 L 8.19 4.01 0.00 1.80 1.95 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 4.42 0.00 2.99 2.87 0.00 0.00 6.89 6.95 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 18 E 8.35 3.99 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 19 L 8.11 3.94 0.00 1.79 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.36 3.62 1.94 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 1.41 0.98 0.88 0.00 0.00 21 A 7.94 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.87 3.61 1.96 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 1.50 0.91 0.86 0.00 0.00 23 N 7.80 4.45 0.00 2.71 2.82 0.00 0.00 6.75 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 24 Q 8.02 3.82 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.28 0.00 25 Y 8.07 4.70 0.00 3.10 3.15 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 26 F 8.43 3.91 0.00 3.36 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 27 L 8.12 3.98 0.00 1.88 1.80 0.87 0.93 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 28 H 8.19 3.84 0.00 3.55 2.94 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.49 4.32 0.00 4.04 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 30 R 8.22 3.82 0.00 1.84 1.91 0.00 2.98 0.00 0.00 2.65 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 31 M 8.09 3.47 0.00 0.96 1.76 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 2.47 2.14 0.00 32 W 8.11 4.68 0.00 3.63 3.32 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 33 N 8.62 4.36 0.00 2.89 2.87 0.00 0.00 6.71 7.70 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 34 D 7.65 4.35 0.00 2.61 2.54 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 35 W 7.86 4.89 0.00 3.82 3.18 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 36 G 8.29 4.03 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 0.00 0.00 0.00 37 L 8.08 4.81 0.00 2.00 1.59 1.18 1.00 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 38 K 8.48 4.17 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.89 3.89 0.00 1.82 1.83 0.00 3.02 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 40 L 7.75 3.80 0.00 1.31 0.17 0.15 0.29 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 41 G 8.31 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 42 A 8.05 4.02 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 43 H 8.25 3.99 0.00 3.32 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.49 3.96 0.00 2.54 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 2.86 2.78 0.00 45 Y 8.18 4.06 0.00 3.03 3.06 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 46 H 8.06 4.10 0.00 3.32 3.23 0.00 5.87 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 47 E 7.94 3.80 0.00 2.11 1.68 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 2.19 2.11 0.00 48 S 8.04 4.29 0.00 4.07 4.03 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 49 I 7.48 3.64 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.24 0.84 0.00 0.00 50 D 8.11 4.26 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.14 0.00 2.21 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 2.62 2.72 0.00 52 M 7.95 4.04 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.54 0.00 53 K 8.03 4.03 0.00 1.91 1.84 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.66 7.81 54 H 8.00 4.29 0.00 3.43 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.29 3.98 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 56 D 8.18 4.28 0.00 2.94 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 57 K 8.04 4.00 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.65 7.81 58 L 8.04 4.03 0.00 1.88 1.73 0.94 0.87 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 59 I 8.10 3.72 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 1.53 0.82 0.92 0.00 0.00 60 E 8.39 3.99 0.00 2.26 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 2.34 2.33 0.00 61 R 8.20 4.00 0.00 2.05 2.12 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.97 3.73 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 1.54 0.73 0.93 0.00 0.00 63 L 8.14 3.99 0.00 2.08 1.78 0.97 0.90 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 64 F 7.97 4.33 0.00 2.97 3.32 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 65 L 7.88 3.97 0.00 1.81 1.63 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.75 3.67 0.00 2.04 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 2.18 2.15 0.00 67 G 8.04 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 68 L 7.97 4.54 0.00 1.60 1.61 0.91 0.99 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 69 P 0.00 4.30 0.00 2.04 2.00 0.00 3.65 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 2.03 2.09 0.00 70 N 9.77 4.70 0.00 2.61 2.81 0.00 0.00 7.09 6.69 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 71 L 8.36 4.64 0.00 1.61 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.81 4.06 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.14 4.53 0.00 2.69 2.60 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 0.00 74 L 8.30 4.54 0.00 1.52 1.53 0.88 1.07 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 75 G 8.28 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.44 4.14 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.41 3.99 0.00 1.63 1.55 0.93 0.97 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 78 L 8.68 4.49 0.00 1.76 1.66 1.01 0.74 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 79 I 8.05 4.25 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.90 0.00 0.00 80 G 8.68 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 81 E 8.63 4.79 0.00 2.07 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 2.39 2.23 0.00 82 N 7.71 4.94 0.00 2.84 2.85 0.00 0.00 6.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.52 4.42 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 1.51 0.00 0.00 84 Q 8.27 4.04 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 8.33 4.04 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 86 M 8.29 3.92 0.00 1.40 2.29 0.00 0.00 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.10 0.00 87 L 8.23 4.22 0.00 1.77 1.76 0.88 0.70 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 88 Q 8.10 4.02 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.42 4.20 0.00 3.35 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 90 D 8.31 4.72 0.00 3.01 2.85 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 91 L 7.93 3.98 0.00 1.88 1.89 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.34 4.36 0.00 2.98 2.89 0.00 0.00 6.70 6.26 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 93 L 8.12 4.04 0.00 1.95 2.01 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.34 4.19 0.00 2.24 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 2.75 2.53 0.00 95 L 8.40 4.02 0.00 1.84 1.74 0.94 0.44 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 96 K 8.11 3.97 0.00 1.93 2.06 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.07 4.01 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 98 T 8.25 3.85 4.54 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 1.23 0.00 0.00 99 K 7.85 3.95 0.00 1.78 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 7.94 4.43 0.00 2.70 2.73 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 0.00 101 L 7.80 3.93 0.00 1.89 1.72 0.93 0.96 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 0.00 102 R 8.02 3.91 0.00 2.02 2.01 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 103 E 8.09 4.01 0.00 2.08 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 2.34 2.33 0.00 104 A 7.96 3.60 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 0.00 105 I 7.99 3.66 2.11 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 1.42 1.03 0.93 0.00 0.00 106 V 7.80 3.57 2.25 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 0.99 0.00 0.00 0.99 0.00 0.00 107 H 7.97 4.13 0.00 3.22 3.20 0.00 5.84 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 0.00 108 C 8.24 4.09 0.00 3.17 3.10 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 0.00 109 E 7.93 3.89 0.00 2.07 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 0.00 2.36 2.45 0.00 110 Q 7.75 3.94 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 111 V 7.03 3.98 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 0.57 0.00 0.00 0.84 0.00 0.00 112 H 7.14 3.12 0.00 3.15 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.47 4.57 0.00 2.61 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 0.00 0.00 0.00 0.00 114 Y 7.63 4.40 0.00 3.08 2.89 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 0.00 115 V 7.83 3.69 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.26 4.21 0.00 3.92 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 0.00 117 R 7.99 3.87 0.00 1.96 2.22 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 118 D 8.23 4.48 0.00 3.03 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 0.00 119 L 7.95 3.93 0.00 1.94 1.84 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.14 4.02 0.00 1.95 1.71 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.61 3.95 0.00 2.03 1.97 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 7.97 4.36 0.00 2.93 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 0.00 123 I 7.66 3.51 1.97 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 1.10 0.65 0.84 0.00 0.00 124 L 7.76 3.91 0.00 1.92 1.90 0.94 0.82 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 0.00 125 E 8.28 3.96 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 126 S 7.93 4.35 0.00 4.01 4.13 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 0.00 127 E 8.22 4.24 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 128 E 8.67 4.01 0.00 2.01 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 2.36 2.39 0.00 129 E 8.20 4.02 0.00 2.37 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 2.37 2.36 0.00 130 H 8.20 4.38 0.00 3.29 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.07 3.70 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.93 0.00 0.00 132 D 8.34 4.35 0.00 2.83 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 0.00 133 Y 8.08 4.06 0.00 3.21 3.18 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 0.00 134 L 8.13 3.79 0.00 1.86 1.65 1.06 0.68 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 0.00 135 E 8.55 3.85 0.00 1.95 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 2.30 2.43 0.00 136 T 7.91 3.82 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 1.18 0.00 0.00 137 Q 7.73 3.74 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.18 2.01 0.00 138 L 7.78 3.91 0.00 1.93 1.61 0.83 0.90 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 0.00 139 G 8.37 3.67 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 0.00 0.00 0.00 140 L 7.76 4.00 0.00 1.80 1.77 1.02 0.60 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 0.00 141 I 7.26 3.53 1.75 0.00 0.00 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 0.89 0.04 0.79 0.00 0.00 142 Q 7.38 4.04 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 7.69 4.15 0.00 1.70 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.73 7.81 144 V 8.15 4.20 2.12 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 0.77 0.00 0.00 1.13 0.00 0.00 145 G 7.43 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 0.00 0.00 0.00 0.00 146 L 8.53 3.97 0.00 1.75 1.69 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.12 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 2.39 2.39 0.00 148 N 8.11 4.34 0.00 2.93 2.89 0.00 0.00 6.79 7.48 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 0.00 149 Y 7.76 4.05 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.13 3.99 0.00 1.89 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.90 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 152 S 7.71 4.40 0.00 3.85 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 0.00 153 H 7.98 4.68 0.00 2.86 3.02 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.96 4.13 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 155 H 7.53 5.23 0.00 3.09 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.64 4.14 0.00 1.95 1.86 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 2.31 2.30 0.00