NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4143 8.3049 120.3205 54.7494 32.9207 176.9720 3 L 4.6049 8.8217 121.7464 51.4952 44.6362 175.3603 4 T 4.0218 9.5387 116.8151 61.3195 71.1884 174.7513 5 A 3.9715 8.5172 122.2901 55.6528 18.2392 179.6429 6 E 3.9321 8.1324 116.2149 59.5360 29.5892 179.3588 7 E 3.8955 7.7718 117.0168 59.3986 29.5799 179.2488 8 K 3.7718 8.0053 118.2238 59.7971 32.1792 179.1976 9 A 4.0522 7.8038 120.2184 54.7661 18.2549 179.5660 10 A 3.9606 8.1169 119.4010 55.3442 18.5262 179.7162 11 V 3.5696 7.7482 116.5576 66.7890 30.9851 178.4470 12 T 4.1542 8.0887 115.3460 66.5742 68.0385 176.9771 13 G 3.7742 8.1832 106.8603 47.8985 0.0000 175.2720 14 F 4.4486 8.6244 123.2015 60.7211 39.4838 177.1537 15 W 4.3514 9.0203 128.4293 60.1817 30.2651 178.1017 16 G 3.7117 7.7766 104.1858 47.6839 0.0000 175.4822 17 K 4.1056 7.5033 119.0932 57.4724 32.0839 177.5618 18 V 3.3520 6.5675 119.7603 61.9606 31.6991 177.5229 19 K 4.1735 8.1261 127.5851 56.4328 29.7544 177.7114 20 V 3.4860 7.7208 117.7227 63.9720 31.9427 177.5587 21 D 4.3427 7.9500 118.5745 57.3130 40.8138 178.3315 22 E 4.0491 7.9842 117.4603 58.9278 29.9851 178.6944 23 V 3.5231 7.5822 118.9415 65.6502 31.5559 178.1842 24 G 3.5551 8.1086 105.0766 47.9256 0.0000 175.6004 25 A 3.9814 7.7982 123.4145 54.4844 18.2784 179.4200 26 E 3.8064 8.6817 118.1542 59.0936 29.7592 178.6363 27 A 3.9022 8.2298 121.2867 55.2834 18.4686 179.4364 28 L 3.9031 7.7823 118.5250 57.9212 42.2034 179.1575 29 G 3.5603 7.8104 105.5168 48.1308 0.0000 175.8781 30 R 3.8737 8.2421 121.4976 58.3026 29.9870 178.5721 31 L 3.9749 8.2895 120.7044 58.6375 41.7843 179.2946 32 L 3.9013 7.5030 117.1747 57.4873 41.5430 179.6550 33 V 3.6099 7.3191 117.2428 66.0965 31.6655 178.1082 34 V 3.5170 7.5581 116.6172 64.2988 32.7678 175.5719 35 Y 3.9474 7.1704 116.6803 54.0904 37.7137 173.8298 36 P 4.3352 0.0000 0.0000 65.3095 31.6965 177.5046 37 W 4.4609 8.3470 115.1893 60.0740 27.8069 178.1397 38 T 4.3509 7.4695 110.1754 64.5604 67.9252 176.0710 39 Q 4.2959 8.3675 121.0318 58.8215 28.4174 178.4811 40 R 4.1776 8.4000 119.5362 59.0537 30.0711 177.7892 41 F 4.3501 8.2528 115.8483 58.2080 39.1283 176.0510 42 F 5.4482 8.3888 117.3672 57.1743 39.9141 176.5311 43 E 4.2284 8.8203 121.5085 60.1739 29.2621 179.0763 44 H 4.3199 8.5370 110.5783 57.1690 28.3422 175.7153 45 F 4.2017 8.0437 118.7360 57.7205 39.6558 174.5597 46 G 3.8141 8.1650 104.8420 43.8273 0.0000 172.5029 47 D 4.4404 8.7504 121.5532 54.8852 40.9265 177.2161 48 L 4.8278 8.3404 129.7946 54.5825 42.5518 177.5126 49 S 4.5733 8.3060 112.0777 58.7153 63.9742 173.7148 50 S 4.5452 7.5243 115.1644 56.0545 66.6071 174.6964 51 A 3.9288 8.5624 123.8457 55.8876 17.7585 179.7420 52 D 4.2738 8.0536 114.7285 57.2422 41.0116 178.7045 53 A 4.0871 7.7973 121.0269 55.1533 18.5970 179.6783 54 V 3.4929 7.8832 116.7125 66.4896 31.4452 177.8896 55 M 4.2805 8.0553 115.5265 56.9643 32.0243 176.6239 56 N 4.8904 7.7672 115.7556 52.5550 39.6899 174.1054 57 N 4.6559 7.9733 117.6000 52.4032 39.7526 174.9629 58 A 4.0273 8.6205 130.7195 55.2858 18.5428 178.9786 59 K 4.0251 8.1817 117.6302 59.3875 32.3596 178.9265 60 V 3.4005 8.4453 118.9309 65.8914 31.2089 178.1496 61 K 3.8895 8.0543 117.7169 59.4112 31.8488 179.1534 62 A 4.0441 8.2200 121.0515 55.5043 18.2920 179.1561 63 H 4.3076 9.1565 117.2260 59.3567 29.8894 177.4630 64 G 3.9208 8.1813 107.9845 47.8928 0.0000 175.4671 65 K 3.9486 7.7942 122.5012 58.9265 32.2341 178.8348 66 K 3.9439 7.8353 118.5659 59.5725 31.9985 179.0768 67 V 3.6250 7.9902 118.5795 66.4508 31.3872 178.2069 68 L 4.2899 8.3028 118.3673 57.4942 41.3053 179.4495 69 D 4.5726 8.8683 121.3340 56.9706 40.8137 178.8941 70 S 4.1336 8.2356 114.3377 60.8895 63.0281 176.2759 71 F 4.2703 8.2513 124.8988 61.2879 38.9253 177.4016 72 S 4.2094 8.9393 114.3007 61.1346 62.8342 176.0022 73 N 4.3445 8.5970 121.4501 56.6199 38.6439 177.0157 74 G 3.7068 7.8183 106.7153 48.0266 0.0000 175.0968 75 M 3.9247 7.3765 118.6133 56.6111 31.8532 177.0840 76 K 4.5045 7.4389 117.2381 56.3490 32.9098 176.2230 77 H 5.0267 8.1743 117.6070 54.6305 29.9031 175.7129 78 L 3.8586 8.2011 121.2584 57.8823 41.6445 178.3667 79 D 4.6553 7.9270 115.4578 55.1885 41.2859 176.1495 80 D 4.7512 8.2120 120.8415 51.9536 41.9591 177.3498 81 L 4.1542 8.4524 119.5004 57.6863 41.6120 178.2945 82 K 3.9258 8.1954 117.7208 59.7473 32.3356 178.2907 83 G 3.7166 7.8958 106.2259 47.6815 0.0000 175.4026 84 T 3.7397 7.9006 117.9280 65.8206 68.7198 175.5164 85 F 4.5832 8.0063 116.7177 57.3064 39.1805 177.6414 86 A 4.1733 7.8635 124.0064 55.2463 18.1934 180.6048 87 Q 3.9500 7.9257 116.2502 58.9992 28.9623 178.5323 88 L 3.9584 7.7960 119.6239 57.5143 41.6805 179.1644 89 S 4.1903 8.5339 114.9938 60.7916 62.3284 175.8224 90 E 3.8239 7.9057 121.7158 59.0591 29.2212 178.6179 91 L 3.9005 7.6484 119.9504 58.6654 42.1721 178.7889 92 H 4.4060 8.5370 116.5802 58.8034 28.1698 177.7189 93 C 4.2322 8.0986 119.8689 61.9487 27.8608 175.6056 94 D 4.4015 7.7202 118.3071 56.2822 41.2789 178.2416 95 K 4.1783 7.9795 116.8725 58.7973 32.6254 178.0032 96 L 4.3270 8.1051 117.0178 55.2915 42.2476 176.5213 97 H 4.5367 8.1114 113.0659 55.9424 25.9355 175.2126 98 V 3.7000 8.1639 119.0373 62.2584 32.2731 174.8956 99 D 4.3217 8.6108 127.3514 53.2030 41.6167 174.9968 100 P 3.6613 0.0000 0.0000 64.9607 31.7825 177.8968 101 E 3.8890 8.6140 120.5076 59.5073 29.4811 178.3332 102 N 4.2971 8.0734 116.2730 56.1406 38.4655 177.3448 103 F 4.4978 7.2859 119.4192 60.3568 38.8771 177.8223 104 K 4.0763 8.2277 118.3506 59.3792 31.8846 179.3906 105 L 3.8937 7.7726 118.8132 57.5701 41.4393 179.2334 106 L 4.0125 8.1590 120.4256 58.2246 42.0804 178.6024 107 G 3.8500 8.1370 105.4159 48.3474 0.0000 174.7875 108 N 4.3376 8.7810 119.2960 55.9683 38.6978 177.7395 109 V 3.6374 8.0485 119.2838 65.8486 31.6348 177.6769 110 L 3.8275 8.2419 120.5293 58.1088 41.7775 179.0416 111 V 3.6037 7.8432 118.0989 65.9999 31.4829 177.9413 112 V 3.5971 7.8419 117.8375 66.1370 31.3555 178.0351 113 V 3.5178 7.8643 117.7885 65.9979 31.3571 177.6589 114 L 3.6300 8.1807 118.6727 57.8419 41.3780 179.3690 115 A 3.9373 7.8494 120.6776 55.2861 18.0528 179.7180 116 R 3.8785 7.7180 116.1581 59.7879 30.2407 178.1226 117 H 4.2814 8.2554 115.2814 57.9908 28.9659 176.3787 118 H 4.7737 8.4048 115.6493 54.8138 30.0830 175.7569 119 G 3.9491 8.5864 111.5429 46.7559 0.0000 176.2599 120 S 4.3916 8.7462 117.0761 59.7730 63.2596 175.2923 121 E 4.1440 7.9641 120.8460 58.6578 29.8991 177.3599 122 F 4.6058 8.1080 124.2081 56.6464 38.1310 175.9916 123 T 3.9450 7.4186 114.3892 61.2793 70.9770 173.3461 124 P 4.0284 0.0000 0.0000 65.8216 31.4888 178.6862 125 L 3.9050 7.7790 117.1136 57.6752 41.6118 179.2397 126 L 4.4274 7.4275 121.1961 57.5778 42.0148 178.5946 127 Q 3.4061 7.8223 119.5754 59.1111 28.7692 178.1328 128 A 4.0484 7.9350 121.5864 55.3793 18.3240 179.4294 129 E 3.8479 8.1519 116.9142 59.6777 29.5048 179.6454 130 F 4.1349 8.2867 117.6936 60.2700 38.9972 177.7501 131 Q 4.1627 8.8391 118.3765 59.0233 28.3974 179.2151 132 K 3.9655 7.9082 119.3436 59.3068 32.0413 179.5674 133 V 3.4579 7.4674 118.0321 66.2353 31.5137 178.6207 134 V 3.8443 8.4911 112.0915 64.0919 31.3375 178.4718 135 A 4.1749 8.1126 121.1851 54.8014 18.2089 179.9073 136 G 3.4472 8.3604 104.7733 47.9530 0.0000 176.1882 137 V 3.0401 7.8841 120.7064 65.1717 31.2171 177.8612 138 A 3.9309 7.7689 119.7248 55.3058 18.5683 178.9556 139 N 4.4098 8.0469 114.5310 56.6751 38.8502 177.3864 140 A 3.9934 7.8096 121.7764 55.3809 18.4029 179.7006 141 L 3.8324 7.6435 116.9404 57.0693 41.5963 178.6392 142 A 4.7473 7.8383 119.1631 53.0142 19.0228 178.5516 143 H 4.0902 7.7278 116.7253 59.1803 30.0659 176.8179 144 R 4.1337 7.5163 115.4320 57.0748 29.9939 176.4806 145 Y 4.6315 7.9524 116.0319 58.6911 38.4072 175.5354 146 H 4.6485 8.1035 123.2899 55.8840 28.9749 174.5607 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 M 8.30 4.41 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 3 L 8.82 4.60 0.00 1.61 1.49 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.54 4.02 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 1.21 0.00 0.00 5 A 8.52 3.97 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 6 E 8.13 3.93 0.00 2.01 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 2.40 2.40 0.00 7 E 7.77 3.90 0.00 2.24 1.92 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 2.27 2.31 0.00 8 K 8.01 3.77 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.59 7.81 9 A 7.80 4.05 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 10 A 8.12 3.96 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 11 V 7.75 3.57 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 0.53 0.00 0.00 0.48 0.00 0.00 12 T 8.09 4.15 4.33 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 1.29 0.00 0.00 13 G 8.18 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.62 4.45 0.00 3.50 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.02 4.35 0.00 3.88 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.50 4.11 0.00 1.33 1.68 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 18 V 6.57 3.35 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 0.00 0.00 -0.03 0.00 0.00 0.17 0.00 0.00 19 K 8.13 4.17 0.00 1.72 1.66 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.41 7.81 20 V 7.72 3.49 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 0.67 0.00 0.00 0.92 0.00 0.00 21 D 7.95 4.34 0.00 2.65 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 22 E 7.98 4.05 0.00 2.17 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 0.00 2.29 2.34 0.00 23 V 7.58 3.52 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.63 0.00 0.00 24 G 8.11 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.80 3.98 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 26 E 8.68 3.81 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 A 8.23 3.90 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 28 L 7.78 3.90 0.00 1.68 1.51 0.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.81 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.24 3.87 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 31 L 8.29 3.97 0.00 1.78 1.82 0.89 0.62 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 32 L 7.50 3.90 0.00 1.64 1.61 0.57 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.32 3.61 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 0.70 0.00 0.00 0.91 0.00 0.00 34 V 7.56 3.52 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 0.07 0.00 0.00 0.78 0.00 0.00 35 Y 7.17 3.95 0.00 2.28 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 36 P 0.00 4.34 0.00 2.27 2.15 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 2.20 2.13 0.00 37 W 8.35 4.46 0.00 3.61 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 0.00 38 T 7.47 4.35 4.40 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 1.05 0.00 0.00 39 Q 8.37 4.30 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 40 R 8.40 4.18 0.00 1.88 1.75 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.59 0.00 41 F 8.25 4.35 0.00 2.74 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 42 F 8.39 5.45 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.82 4.23 0.00 2.11 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 2.47 2.30 0.00 44 H 8.54 4.32 0.00 3.15 3.36 0.00 5.52 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.04 4.20 0.00 3.32 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 46 G 8.17 3.81 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 0.00 0.00 0.00 47 D 8.75 4.44 0.00 2.65 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 48 L 8.34 4.83 0.00 1.67 1.62 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.31 4.57 0.00 3.98 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 50 S 7.52 4.55 0.00 4.01 3.96 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 51 A 8.56 3.93 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 52 D 8.05 4.27 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.80 4.09 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 54 V 7.88 3.49 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 0.94 0.00 0.00 0.96 0.00 0.00 55 M 8.06 4.28 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 56 N 7.77 4.89 0.00 2.72 2.76 0.00 0.00 6.86 8.89 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 57 N 7.97 4.66 0.00 2.96 2.83 0.00 0.00 7.11 7.75 0.00 0.00 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 A 8.62 4.03 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 59 K 8.18 4.03 0.00 1.98 2.19 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.50 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.89 1.62 7.81 60 V 8.45 3.40 2.21 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 0.94 0.00 0.00 0.77 0.00 0.00 61 K 8.05 3.89 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.66 7.81 62 A 8.22 4.04 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 63 H 9.16 4.31 0.00 3.47 3.36 0.00 5.83 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 64 G 8.18 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 0.00 0.00 0.00 65 K 7.79 3.95 0.00 1.81 2.06 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 66 K 7.84 3.94 0.00 2.00 1.93 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 67 V 7.99 3.62 2.20 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 1.08 0.00 0.00 0.87 0.00 0.00 68 L 8.30 4.29 0.00 1.89 1.83 1.26 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.87 4.57 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.24 4.13 0.00 4.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.25 4.27 0.00 3.43 3.44 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 72 S 8.94 4.21 0.00 4.48 4.83 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 73 N 8.60 4.34 0.00 2.82 2.89 0.00 0.00 6.94 8.76 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 74 G 7.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 7.38 3.92 0.00 1.63 1.98 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.16 0.00 76 K 7.44 4.50 0.00 1.66 1.61 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.32 7.81 77 H 8.17 5.03 0.00 3.06 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.20 3.86 0.00 1.56 1.66 0.79 1.00 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 79 D 7.93 4.66 0.00 2.65 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 80 D 8.21 4.75 0.00 2.65 2.49 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 0.00 0.00 0.00 0.00 81 L 8.45 4.15 0.00 1.71 1.70 0.77 0.77 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 82 K 8.20 3.93 0.00 1.69 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.34 1.41 7.81 83 G 7.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.90 3.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 85 F 8.01 4.58 0.00 2.98 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 86 A 7.86 4.17 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 87 Q 7.93 3.95 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 88 L 7.80 3.96 0.00 1.90 1.69 0.93 0.82 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 89 S 8.53 4.19 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.91 3.82 0.00 1.99 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 2.27 2.39 0.00 91 L 7.65 3.90 0.00 1.80 1.70 0.94 0.93 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 92 H 8.54 4.41 0.00 3.30 3.63 0.00 5.68 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 93 C 8.10 4.23 0.00 2.63 1.71 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 94 D 7.72 4.40 0.00 2.76 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 95 K 7.98 4.18 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 96 L 8.11 4.33 0.00 1.93 1.92 1.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.11 4.54 0.00 3.49 3.53 0.00 5.75 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.16 3.70 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 0.12 0.00 0.00 0.38 0.00 0.00 99 D 8.61 4.32 0.00 2.66 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 0.00 100 P 0.00 3.66 0.00 2.39 2.67 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 101 E 8.61 3.89 0.00 2.16 1.92 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 2.26 2.37 0.00 102 N 8.07 4.30 0.00 2.55 2.71 0.00 0.00 7.05 7.73 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 0.00 103 F 7.29 4.50 0.00 3.17 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 0.00 104 K 8.23 4.08 0.00 2.04 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.55 7.81 105 L 7.77 3.89 0.00 1.46 1.20 0.58 0.21 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 0.00 106 L 8.16 4.01 0.00 1.78 1.71 0.89 0.92 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 0.00 107 G 8.14 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 0.00 108 N 8.78 4.34 0.00 2.95 2.97 0.00 0.00 6.80 7.40 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 0.00 109 V 8.05 3.64 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 1.10 0.00 0.00 1.12 0.00 0.00 110 L 8.24 3.83 0.00 1.65 1.89 0.81 -0.02 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 0.00 111 V 7.84 3.60 2.38 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 1.28 0.00 0.00 1.15 0.00 0.00 112 V 7.84 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 113 V 7.86 3.52 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 0.84 0.00 0.00 1.02 0.00 0.00 114 L 8.18 3.63 0.00 1.01 0.72 0.72 0.54 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 0.00 115 A 7.85 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.72 3.88 0.00 1.95 2.08 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 117 H 8.26 4.28 0.00 3.15 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.40 4.77 0.00 3.40 3.53 0.00 5.96 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 0.00 119 G 8.59 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 0.00 120 S 8.75 4.39 0.00 4.03 4.04 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 0.00 0.00 0.00 121 E 7.96 4.14 0.00 2.35 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 0.00 2.44 2.34 0.00 122 F 8.11 4.61 0.00 2.96 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 0.00 123 T 7.42 3.94 4.18 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 1.26 0.00 0.00 124 P 0.00 4.03 0.00 2.05 2.10 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 125 L 7.78 3.91 0.00 1.62 1.66 0.90 0.48 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 0.00 126 L 7.43 4.43 0.00 1.59 1.40 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.82 3.41 0.00 1.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 128 A 7.93 4.05 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 0.00 129 E 8.15 3.85 0.00 2.17 1.82 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 2.25 2.38 0.00 130 F 8.29 4.13 0.00 3.40 3.35 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 0.00 131 Q 8.84 4.16 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 132 K 7.91 3.97 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 133 V 7.47 3.46 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 0.87 0.00 0.00 0.64 0.00 0.00 134 V 8.49 3.84 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 1.07 0.00 0.00 1.13 0.00 0.00 135 A 8.11 4.17 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 0.00 136 G 8.36 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 0.00 0.00 0.00 137 V 7.88 3.04 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 0.56 0.00 0.00 0.49 0.00 0.00 138 A 7.77 3.93 1.48 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 0.00 0.00 139 N 8.05 4.41 0.00 2.92 2.88 0.00 0.00 6.96 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 0.00 140 A 7.81 3.99 1.27 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 0.00 0.00 0.00 141 L 7.64 3.83 0.00 1.19 0.33 0.54 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.84 4.75 1.63 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 0.00 0.00 143 H 7.73 4.09 0.00 3.37 3.43 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.52 4.13 0.00 1.65 1.83 0.00 3.20 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 145 Y 7.95 4.63 0.00 3.16 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 0.00 146 H 8.10 4.65 0.00 3.14 3.18 0.00 5.69 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