NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8740 8.3016 109.1141 45.0670 0.0000 173.8728 4 D 4.1941 8.4625 125.1019 52.9889 42.1328 175.0051 5 K 3.8896 9.5489 129.0835 59.6632 32.6385 178.2800 6 K 3.9673 8.0796 118.2015 58.8446 32.1578 179.3383 7 V 3.5474 7.9311 118.7112 66.0954 31.4725 178.0104 8 I 3.7633 7.7485 119.5327 64.5647 36.8861 178.1502 9 Q 4.0478 7.8307 120.0613 59.1754 28.8449 177.7101 10 H 4.1365 8.2302 117.3979 58.7223 28.7071 177.6557 11 L 3.9872 8.4681 121.1069 58.0778 41.5319 179.4361 12 N 4.4213 8.6293 116.6448 55.9999 38.3681 177.4885 13 K 3.9732 8.0094 121.3312 59.3878 32.2371 179.0487 14 I 3.6892 7.9690 120.2599 64.1686 36.9650 177.8333 15 L 4.0200 8.5650 121.7312 58.4234 41.7131 179.2615 16 G 3.6617 8.1300 105.2468 48.0675 0.0000 175.3450 17 N 4.3736 8.1692 118.7505 55.9688 38.5233 177.3509 18 E 3.9348 8.4836 120.4767 59.4738 29.4118 179.3443 19 L 4.0565 8.2387 119.2777 57.7076 41.6081 179.8034 20 I 3.6543 7.5026 119.6129 64.3465 37.0987 178.2572 21 A 3.2981 7.7035 121.5170 54.8264 18.0484 179.4163 22 I 3.5483 7.8025 118.6470 64.9724 37.2624 178.4231 23 N 4.3708 7.7524 116.9006 56.0457 38.3320 177.5326 24 Q 3.8630 8.0275 121.0500 59.5141 29.1475 177.8671 25 Y 4.7962 8.0772 119.5767 60.5653 37.8765 178.1708 26 F 4.0840 8.6328 121.9700 60.9575 39.4138 177.0544 27 L 3.9645 8.2488 120.1008 58.4849 41.9152 178.6099 28 H 3.8472 8.2273 116.1661 58.7546 28.5821 177.4010 29 S 4.3450 8.3628 115.1804 61.9842 62.1886 176.7111 30 R 3.8667 7.9077 120.0178 58.8542 29.7286 179.0351 31 M 3.4209 8.0237 119.2502 57.9296 31.9434 178.5851 32 W 4.5717 8.0089 119.3664 60.1191 29.2460 178.3216 33 N 4.4095 8.4150 116.3675 56.4085 37.7093 177.0006 34 D 4.3341 7.8250 118.6462 56.8205 41.3962 177.4776 35 W 4.8402 7.9474 116.6558 56.5436 29.1600 177.0246 36 G 3.9850 8.0550 107.0401 46.6466 0.0000 175.9429 37 L 4.5009 7.7744 122.0607 53.5337 38.3283 177.6298 38 K 4.1436 8.4140 120.8109 58.7713 32.5745 179.1847 39 R 3.8942 7.9950 119.7072 59.1566 29.9134 178.3568 40 L 3.8083 7.7622 118.5031 57.6077 41.5761 179.5213 41 G 3.7829 8.2215 105.3882 47.8724 0.0000 175.6246 42 A 4.0683 8.3935 123.7308 55.1073 18.4151 179.2141 43 H 3.9230 8.3291 116.8360 59.3665 29.7194 177.1724 44 E 4.0513 8.6871 121.5244 59.3528 29.5158 178.1579 45 Y 4.1169 8.2850 119.8504 60.6378 38.7997 177.3343 46 H 3.9852 8.2351 119.3474 59.3539 30.0325 177.0866 47 E 3.7994 8.1222 120.3133 59.3005 29.2274 179.2555 48 S 4.2552 8.2180 113.1421 61.6217 62.4988 176.3250 49 I 3.5842 7.5644 122.3462 64.3977 36.6994 178.0849 50 D 4.2511 7.9445 119.6948 57.5084 40.5550 178.8314 51 E 4.1222 7.9478 119.8219 58.8842 29.4234 179.1605 52 M 4.0122 8.0268 118.9287 58.4458 32.0253 178.9865 53 K 4.0336 8.0787 118.5568 59.4493 32.2226 179.0654 54 H 4.2146 8.5396 116.8312 58.9185 28.6503 177.5190 55 A 3.9871 8.2994 122.6892 55.1660 18.2363 178.8710 56 D 4.2875 8.0521 116.4677 57.7256 41.2691 178.8412 57 K 3.9952 8.1004 118.6168 59.4719 31.9611 179.3348 58 L 4.0277 8.0420 119.1996 57.8690 41.6206 179.6608 59 I 3.7207 7.9782 119.7840 64.4252 37.0564 178.3438 60 E 4.0061 8.2712 119.4358 59.3311 29.2173 179.4903 61 R 4.0137 8.0860 118.7158 59.6062 30.2556 178.6013 62 I 3.7006 8.1093 120.0283 64.3615 37.1695 178.2010 63 L 4.2093 7.9842 120.9527 57.8006 41.6742 178.7424 64 F 4.3728 8.1059 120.2627 60.9878 39.2345 176.4429 65 L 3.8074 8.0776 116.4970 54.3661 41.3342 176.4846 66 E 3.3321 7.8734 118.6240 57.4346 28.0438 173.7682 67 G 3.9863 8.3523 105.9591 43.4845 0.0000 173.3832 68 L 4.5002 8.0301 118.9891 52.1341 42.0868 175.2005 69 P 4.3824 0.0000 0.0000 62.3365 31.8067 176.0969 70 N 4.6562 9.1236 122.7252 52.4693 38.1451 174.0663 71 L 4.5908 8.2161 123.6166 54.4155 42.5319 177.5200 72 Q 4.0744 8.3017 121.3613 57.5838 29.3389 175.4156 73 D 4.7002 8.1240 117.7256 52.4006 41.7650 175.1818 74 L 4.5629 8.3450 126.5772 52.8635 43.7768 176.7253 75 G 3.8252 8.3218 116.5474 44.7607 0.0000 171.2852 76 K 4.1875 8.3915 121.3501 55.3472 32.5969 177.4762 77 L 4.1107 8.4195 126.8326 54.7177 42.1550 177.1472 78 L 4.5080 8.6417 123.8047 53.1440 41.2531 174.8942 79 I 4.2823 8.0479 123.6337 59.6956 38.1239 176.6003 80 G 4.0086 8.6718 114.8201 44.7895 0.0000 172.8235 81 E 4.6994 8.6818 115.5721 55.8840 30.5551 175.4805 82 N 5.0063 7.6296 117.2316 50.9605 41.8447 174.9336 83 T 4.4298 8.5114 110.3630 64.9770 68.9402 176.3101 84 Q 3.9471 8.1895 121.9222 59.1573 29.1970 177.9842 85 E 4.0250 8.9796 119.9835 59.7145 29.4194 179.3442 86 M 3.9756 8.2876 118.7757 58.2011 31.8655 178.8148 87 L 4.1156 8.3366 119.2927 57.8718 41.7937 179.3580 88 Q 3.9586 8.1925 119.4282 59.4404 29.0371 177.9428 89 C 4.1541 8.5898 118.1600 63.0775 28.1092 175.9558 90 D 4.6584 8.5254 120.5363 57.2147 40.4277 178.5275 91 L 3.9920 8.1637 120.9728 58.4103 42.0371 178.6394 92 N 4.3610 8.8610 116.7394 56.4742 38.4953 177.1538 93 L 4.0435 8.1933 121.5895 58.1675 42.1167 178.9180 94 E 4.1354 8.6595 118.8628 59.2605 29.5301 179.1579 95 L 4.0060 8.1233 119.1596 57.6891 41.7585 179.5483 96 K 3.9591 7.9371 119.4089 59.5205 32.1556 178.7847 97 A 4.2433 8.1767 121.0399 55.5150 18.3669 179.7886 98 T 3.8627 8.2501 114.6005 66.4316 68.5985 176.9513 99 K 3.9651 7.9092 121.3069 59.7087 32.2312 178.7455 100 D 4.4140 8.0180 118.7154 57.1265 40.7062 178.5363 101 L 3.9756 8.1133 119.7000 58.1457 41.7024 179.9469 102 R 3.9604 7.9304 117.4091 59.2445 29.9503 179.0010 103 E 3.9937 8.1965 117.9291 59.2608 29.3711 179.2924 104 A 3.5090 8.1279 121.0366 54.8336 18.4336 179.7410 105 I 3.5826 7.8530 118.3508 64.5730 37.2445 178.4476 106 V 3.5692 7.7153 119.0694 66.6965 31.1937 177.6059 107 H 4.0456 7.9321 117.0931 59.2785 29.6962 176.9422 108 C 4.0308 8.2423 118.7370 62.6803 27.9176 175.5129 109 E 3.8870 8.1733 120.7719 59.5485 29.0058 178.6422 110 Q 3.9467 7.7411 117.8267 58.8189 29.0939 177.7857 111 V 3.9477 7.3046 110.3526 60.5092 31.8693 175.5057 112 H 3.1580 7.6798 114.3244 57.1301 26.8039 176.1286 113 D 4.5426 7.3649 120.2992 53.4709 38.9774 175.0809 114 Y 4.2543 7.5432 122.0028 60.0269 38.3844 177.3166 115 V 3.6602 7.8212 119.2328 66.0066 31.7693 178.0519 116 S 4.1349 8.2732 114.6663 61.4590 62.5817 176.5625 117 R 3.8749 7.8848 120.9862 59.5621 29.9911 177.9455 118 D 4.3400 8.4186 118.0314 57.2033 41.1657 177.8690 119 L 3.9415 8.1010 120.7866 58.4154 42.0437 179.1084 120 L 3.9967 7.9804 118.7353 57.5378 41.4897 179.4456 121 K 3.9403 8.4662 120.1461 59.5542 32.0715 178.7105 122 D 4.3516 8.0211 118.7751 57.4527 40.6961 178.8054 123 I 3.5373 7.8480 120.3718 64.0950 37.0089 178.2563 124 L 3.9189 8.1657 121.6679 58.0150 41.8793 178.6649 125 E 3.9227 8.2277 119.3340 59.2679 29.5191 178.6599 126 S 4.0605 7.8586 112.7971 61.5725 62.4022 176.0652 127 E 4.0223 8.3531 121.3989 59.4173 29.1026 179.1515 128 E 4.0349 8.7117 119.1423 59.3860 29.3954 179.1975 129 E 4.0194 8.4141 118.7037 59.7340 29.4576 179.0541 130 H 4.3395 8.4792 116.3411 59.0809 28.7356 177.7788 131 I 3.7548 8.2356 121.9100 64.5665 36.9540 177.9980 132 D 4.3114 8.4298 118.9007 57.3255 41.0609 177.4761 133 Y 4.0537 8.3769 120.2960 60.7429 38.8251 178.1245 134 L 3.5911 8.2061 119.8025 57.9689 41.8341 179.5545 135 E 3.9301 8.3973 118.5316 59.5770 29.2328 179.6718 136 T 3.8351 7.8011 116.0067 66.4460 68.4764 176.7979 137 Q 3.6652 7.7242 119.8710 58.9164 28.6136 178.5756 138 L 3.8604 7.7233 120.0294 57.9925 41.6520 180.0645 139 G 3.5231 7.9327 105.3138 47.5922 0.0000 175.8046 140 L 4.0770 7.8829 121.3619 57.3837 41.6166 179.4101 141 I 3.5908 7.3814 119.9459 64.3294 36.7569 178.3645 142 Q 3.9292 7.4197 117.7215 59.0680 28.6707 178.8843 143 K 4.1456 7.8909 117.9807 58.7291 32.2729 178.9855 144 V 4.2146 8.3714 109.9950 59.8722 32.9505 177.0490 145 G 4.0887 7.6757 105.4316 45.8630 0.0000 174.5374 146 L 3.9498 8.4852 122.4135 58.0789 42.1584 179.2712 147 E 3.9627 8.1646 117.9987 59.5164 29.3693 178.9605 148 N 4.2963 8.1246 115.8731 56.4975 38.4843 176.4876 149 Y 3.9985 8.0271 119.7094 60.8683 39.1404 178.0509 150 L 4.0624 8.3180 119.9690 57.6701 41.5888 179.0466 151 Q 3.9170 8.3152 119.8493 59.4116 28.7841 178.3852 152 S 4.2825 8.0609 113.6552 60.0529 63.1009 174.4586 153 H 4.5938 7.5961 118.4324 55.5374 29.6884 175.6435 154 M 4.0103 7.9422 121.8027 58.4955 32.1919 175.5839 155 H 5.1955 7.6253 114.0131 53.6369 30.8047 174.6226 156 E 4.1276 8.7768 122.1996 56.7799 29.2466 176.7983 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 8.30 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 4 D 8.46 4.19 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.55 3.89 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.08 3.97 0.00 1.81 1.66 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 7 V 7.93 3.55 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 0.95 0.00 0.00 0.91 0.00 0.00 8 I 7.75 3.76 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.36 0.89 0.00 0.00 9 Q 7.83 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 H 8.23 4.14 0.00 3.34 3.28 0.00 5.68 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 8.47 3.99 0.00 1.82 1.73 0.93 0.70 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 12 N 8.63 4.42 0.00 2.80 2.85 0.00 0.00 6.71 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 13 K 8.01 3.97 0.00 1.91 1.98 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.97 3.69 1.99 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 1.74 0.82 0.91 0.00 0.00 15 L 8.56 4.02 0.00 1.77 1.91 0.96 1.16 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 16 G 8.13 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.17 4.37 0.00 2.94 2.88 0.00 0.00 7.03 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 18 E 8.48 3.93 0.00 2.09 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 2.57 2.53 0.00 19 L 8.24 4.06 0.00 1.63 1.68 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.50 3.65 1.95 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 1.42 1.00 0.86 0.00 0.00 21 A 7.70 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.80 3.55 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.84 0.00 0.00 23 N 7.75 4.37 0.00 2.72 2.82 0.00 0.00 6.75 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 24 Q 8.03 3.86 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 25 Y 8.08 4.80 0.00 3.01 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 26 F 8.63 4.08 0.00 3.29 3.08 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 0.00 0.00 0.00 27 L 8.25 3.96 0.00 1.89 1.72 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.23 3.85 0.00 3.32 2.82 0.00 5.71 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 29 S 8.36 4.35 0.00 3.95 3.94 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 30 R 7.91 3.87 0.00 1.94 1.85 0.00 2.88 0.00 0.00 2.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 31 M 8.02 3.42 0.00 0.72 1.56 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 2.39 2.11 0.00 32 W 8.01 4.57 0.00 3.62 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 33 N 8.41 4.41 0.00 2.85 2.84 0.00 0.00 6.69 7.61 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 34 D 7.83 4.33 0.00 2.60 2.52 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 35 W 7.95 4.84 0.00 3.73 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 36 G 8.05 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 37 L 7.77 4.50 0.00 2.14 1.65 1.24 0.83 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 38 K 8.41 4.14 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.58 7.81 39 R 8.00 3.89 0.00 1.87 1.89 0.00 3.18 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 L 7.76 3.81 0.00 1.38 0.29 0.48 0.13 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 41 G 8.22 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 42 A 8.39 4.07 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 43 H 8.33 3.92 0.00 3.31 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.69 4.05 0.00 2.58 2.35 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 2.77 2.69 0.00 45 Y 8.28 4.12 0.00 2.98 3.08 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 0.00 0.00 0.00 46 H 8.24 3.99 0.00 3.23 3.38 0.00 5.84 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 47 E 8.12 3.80 0.00 2.12 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 2.38 2.17 0.00 48 S 8.22 4.26 0.00 4.22 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 49 I 7.56 3.58 1.77 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 0.98 0.25 0.79 0.00 0.00 50 D 7.94 4.25 0.00 2.81 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 51 E 7.95 4.12 0.00 2.03 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 2.68 2.29 0.00 52 M 8.03 4.01 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 53 K 8.08 4.03 0.00 1.90 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 H 8.54 4.21 0.00 3.44 3.41 0.00 5.64 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 8.30 3.99 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 56 D 8.05 4.29 0.00 2.92 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 57 K 8.10 4.00 0.00 2.00 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.60 7.81 58 L 8.04 4.03 0.00 1.89 1.73 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.98 3.72 2.01 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 1.52 1.19 0.92 0.00 0.00 60 E 8.27 4.01 0.00 2.15 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 2.50 0.00 61 R 8.09 4.01 0.00 2.06 2.12 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 62 I 8.11 3.70 2.07 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 1.41 0.50 0.91 0.00 0.00 63 L 7.98 4.21 0.00 2.15 1.81 0.93 0.86 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 64 F 8.11 4.37 0.00 3.02 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 65 L 8.08 3.81 0.00 1.82 1.58 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.33 0.00 2.00 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 2.15 2.24 0.00 67 G 8.35 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 68 L 8.03 4.50 0.00 1.62 1.62 0.91 0.99 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 69 P 0.00 4.38 0.00 2.03 1.98 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 9.12 4.66 0.00 2.64 2.74 0.00 0.00 7.10 7.92 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 71 L 8.22 4.59 0.00 1.61 1.63 0.91 0.95 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 72 Q 8.30 4.07 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.12 4.70 0.00 2.68 2.58 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 74 L 8.34 4.56 0.00 1.52 1.52 0.88 1.07 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 75 G 8.32 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 0.00 0.00 0.00 76 K 8.39 4.19 0.00 1.71 1.73 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 L 8.42 4.11 0.00 1.64 1.56 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.64 4.51 0.00 1.68 1.66 1.03 0.71 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 79 I 8.05 4.28 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.91 0.00 0.00 80 G 8.67 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 8.68 4.70 0.00 2.18 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 2.45 2.24 0.00 82 N 7.63 5.01 0.00 2.88 2.86 0.00 0.00 5.98 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 8.51 4.43 5.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 84 Q 8.19 3.95 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 85 E 8.98 4.03 0.00 2.19 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 2.35 2.50 0.00 86 M 8.29 3.98 0.00 1.31 2.07 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.18 0.00 87 L 8.34 4.12 0.00 1.87 1.71 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.19 3.96 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.59 4.15 0.00 3.27 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 8.53 4.66 0.00 2.91 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 91 L 8.16 3.99 0.00 1.85 1.86 0.96 0.76 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 92 N 8.86 4.36 0.00 2.92 2.91 0.00 0.00 6.74 7.29 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 93 L 8.19 4.04 0.00 1.99 1.99 0.94 0.80 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 94 E 8.66 4.14 0.00 2.23 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 2.73 2.64 0.00 95 L 8.12 4.01 0.00 1.87 1.75 0.95 0.35 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 7.94 3.96 0.00 1.85 1.99 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 97 A 8.18 4.24 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 98 T 8.25 3.86 4.59 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 1.28 0.00 0.00 99 K 7.91 3.97 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.02 4.41 0.00 2.91 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 8.11 3.98 0.00 1.94 1.73 0.91 0.79 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 0.00 102 R 7.93 3.96 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 103 E 8.20 3.99 0.00 2.23 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 0.00 2.35 2.48 0.00 104 A 8.13 3.51 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 0.00 105 I 7.85 3.58 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 1.41 0.99 0.92 0.00 0.00 106 V 7.72 3.57 2.23 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 0.97 0.00 0.00 0.97 0.00 0.00 107 H 7.93 4.05 0.00 3.36 3.29 0.00 5.84 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 0.00 108 C 8.24 4.03 0.00 3.11 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 0.00 109 E 8.17 3.89 0.00 2.13 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 0.00 2.37 2.46 0.00 110 Q 7.74 3.95 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 111 V 7.30 3.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 112 H 7.68 3.16 0.00 3.20 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.36 4.54 0.00 2.62 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 0.00 114 Y 7.54 4.25 0.00 3.11 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 0.00 115 V 7.82 3.66 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 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.27 4.13 0.00 4.07 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 0.00 117 R 7.88 3.87 0.00 1.94 2.19 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 D 8.42 4.34 0.00 3.09 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 0.00 119 L 8.10 3.94 0.00 1.92 1.80 0.93 0.51 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 0.00 120 L 7.98 4.00 0.00 1.89 1.69 0.91 0.66 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 0.00 121 K 8.47 3.94 0.00 2.07 2.00 0.00 1.75 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 8.02 4.35 0.00 2.96 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 0.00 123 I 7.85 3.54 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.75 0.00 0.00 124 L 8.17 3.92 0.00 1.84 1.89 0.93 0.91 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 8.23 3.92 0.00 2.10 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 2.32 2.33 0.00 126 S 7.86 4.06 0.00 3.95 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 0.00 127 E 8.35 4.02 0.00 2.04 2.23 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 2.62 2.53 0.00 128 E 8.71 4.03 0.00 1.98 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 2.35 2.50 0.00 129 E 8.41 4.02 0.00 2.19 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 0.00 2.37 2.57 0.00 130 H 8.48 4.34 0.00 3.55 3.41 0.00 5.65 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 0.00 131 I 8.24 3.75 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.95 0.00 0.00 132 D 8.43 4.31 0.00 2.87 2.88 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 0.00 133 Y 8.38 4.05 0.00 3.16 3.25 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 0.00 134 L 8.21 3.59 0.00 1.88 1.66 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.40 3.93 0.00 1.96 1.96 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 2.31 2.59 0.00 136 T 7.80 3.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 Q 7.72 3.67 0.00 1.79 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 1.28 1.96 0.00 138 L 7.72 3.86 0.00 1.75 1.62 0.82 0.86 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 0.00 139 G 7.93 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 0.00 140 L 7.88 4.08 0.00 1.73 1.83 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.38 3.59 1.78 0.00 0.00 0.50 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 -0.36 0.83 0.00 0.00 142 Q 7.42 3.93 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 143 K 7.89 4.15 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 144 V 8.37 4.21 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 0.82 0.00 0.00 1.07 0.00 0.00 145 G 7.68 4.09 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 0.00 0.00 0.00 146 L 8.49 3.95 0.00 1.77 1.68 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.16 3.96 0.00 2.05 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 2.39 2.40 0.00 148 N 8.12 4.30 0.00 3.08 2.88 0.00 0.00 6.72 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 8.03 4.00 0.00 2.94 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 8.32 4.06 0.00 1.87 1.71 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.32 3.92 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.06 4.28 0.00 3.74 3.65 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 0.00 153 H 7.60 4.59 0.00 2.87 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.94 4.01 0.00 1.74 2.03 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 155 H 7.63 5.20 0.00 3.13 3.13 0.00 5.78 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 0.00 156 E 8.78 4.13 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 2.30 2.30 0.00