NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1288 8.0549 120.3106 61.4481 32.7616 174.4442 2 L 4.4332 8.1084 121.2382 52.3478 43.6523 175.6285 3 S 4.4194 9.7722 117.7174 57.9296 65.3102 175.0062 4 E 4.3443 8.8061 124.7630 59.3351 29.1877 179.8292 5 G 3.6386 8.0994 105.4946 47.8350 0.0000 175.3737 6 E 3.9041 8.0542 120.5543 59.0284 29.4455 179.3850 7 W 4.3791 7.9941 118.8720 59.8515 29.0096 178.6426 8 Q 4.1128 8.5489 118.3342 58.9495 28.2821 178.7394 9 L 4.0926 8.0530 120.1010 57.6659 41.6690 179.6254 10 V 3.7626 8.1290 118.3313 66.3377 31.5772 178.1752 11 L 4.2892 8.4674 118.5442 57.5446 41.2284 178.8323 12 H 4.1870 8.5918 118.4269 59.5389 30.1120 177.4105 13 V 3.7551 7.9627 113.6660 63.8385 31.3674 178.4117 14 W 3.8860 8.4525 128.1267 60.1359 30.2879 177.8828 15 A 4.0000 8.0043 120.0161 54.6300 18.0117 179.4091 16 K 3.9375 7.7278 117.6050 59.2900 32.0292 179.6030 17 V 2.7897 7.0103 118.0874 65.6683 31.1272 177.4869 18 E 3.9821 7.7329 115.9829 58.0473 29.3109 178.5724 19 A 4.1820 7.4556 120.7444 54.0383 20.0833 177.6926 20 D 4.6555 7.8170 116.2801 51.9591 42.9329 175.3567 21 V 3.4353 7.9846 123.2463 65.6908 31.9394 176.6980 22 A 4.0486 7.9943 119.9481 55.2589 18.2796 179.7534 23 G 3.4970 8.7938 104.6080 48.1377 0.0000 175.6868 24 H 4.1350 8.2223 118.3028 58.3841 28.5432 178.1165 25 G 3.5618 8.2694 107.6946 47.9241 0.0000 175.7403 26 Q 3.9005 7.9465 121.1166 58.7157 28.7849 178.7500 27 D 4.2788 8.1148 119.7601 57.3569 40.7828 179.0824 28 I 3.7458 7.6568 120.3021 64.2924 37.2112 178.3144 29 E 3.4334 8.1879 119.6408 59.1492 28.6683 179.5136 30 I 3.6891 7.8149 120.2159 64.1916 37.1101 178.3722 31 R 3.8504 7.9249 119.6154 59.3585 29.9793 178.3933 32 L 3.9547 7.7188 120.0629 58.0796 42.0316 178.8205 33 F 4.6636 8.4563 117.6792 59.5949 38.5008 176.9035 34 K 4.1660 7.4466 117.2276 58.3618 32.8208 178.1124 35 S 4.3208 8.0257 114.5004 60.0280 64.0528 174.2293 36 H 4.6101 7.7501 117.9120 52.0803 29.1454 171.9301 37 P 4.6119 0.0000 0.0000 64.3881 31.1523 177.4025 38 E 4.0136 8.2727 116.2583 59.7743 29.0742 179.2695 39 T 4.0345 8.1472 117.0138 66.2578 68.1967 176.0629 40 L 3.5313 7.8040 121.8150 56.9366 41.7884 178.3792 41 E 3.9367 7.6212 117.5106 59.3303 29.5896 177.9190 42 K 4.0661 7.7100 116.5624 58.9556 32.3568 176.8129 43 H 4.5381 7.8314 116.3590 54.7253 29.0027 174.4470 44 D 4.6907 8.4092 123.2228 53.9001 41.7596 176.5293 45 R 4.1446 7.3309 113.2570 57.5800 30.3866 176.8687 46 F 5.0871 7.5484 116.7821 58.0610 39.9150 176.4941 47 K 4.2013 8.0530 119.4578 57.2757 32.4297 176.6747 48 H 4.8800 8.4433 111.9602 55.9423 28.7218 174.6272 49 L 4.5626 7.6215 122.0697 53.7288 40.4189 175.8009 50 K 4.4542 9.5452 119.2427 56.1348 32.5743 176.8019 51 T 4.6453 7.3741 112.4509 59.3735 71.6138 173.7759 52 E 3.8690 8.7548 124.3449 59.5424 29.7130 178.9652 53 A 3.9593 7.9414 120.0764 54.8862 18.2167 179.3511 54 E 3.8704 8.0273 116.1888 59.7777 29.7992 178.8953 55 M 4.1707 8.6024 119.0226 58.5470 31.9231 179.1480 56 K 4.1223 8.5679 116.7669 58.7189 32.2429 178.4093 57 A 4.4989 7.5593 119.2324 51.7528 19.3755 177.0554 58 S 4.2233 7.4833 113.5615 57.6637 62.5294 174.4107 59 E 4.0329 8.8070 129.5055 58.8239 29.4575 177.7311 60 D 4.4422 8.2240 118.0820 57.5302 41.2313 178.0243 61 L 3.2639 8.0521 120.7593 57.6542 41.9567 178.8499 62 K 3.9099 7.8755 119.7194 59.1507 32.0909 178.9304 63 K 3.9784 8.5979 119.6594 60.2029 32.3814 178.4053 64 H 4.3085 8.5330 119.7332 59.1101 29.7554 177.1489 65 G 3.6841 8.3451 107.6147 47.9490 0.0000 175.6819 66 V 3.5933 7.6822 120.3314 66.0046 31.7256 178.0166 67 T 3.8869 8.0769 115.6659 66.7671 68.3042 176.5777 68 V 3.5941 7.9136 119.8028 66.2318 31.6895 178.2050 69 L 4.2160 8.3458 118.8736 57.8714 41.3880 179.7676 70 T 3.9676 8.5108 116.3543 66.4970 68.4334 176.5669 71 A 3.9745 7.9308 122.3204 55.0320 18.3559 179.3528 72 L 3.6765 8.1042 119.1108 58.0995 42.0981 179.4587 73 G 3.1431 8.1400 105.3288 47.7063 0.0000 175.6151 74 A 4.0099 7.7587 122.0970 54.5542 18.6515 179.6150 75 I 3.7915 7.4272 118.5957 64.5156 37.1336 178.5495 76 L 3.9386 7.8177 120.0933 57.6640 41.1809 179.6708 77 K 3.9027 7.7574 117.0467 58.5050 32.2508 178.6302 78 K 3.9875 7.7131 117.5921 55.6250 32.3269 176.7415 79 K 2.0000 8.4028 118.1804 56.3844 29.7489 176.2005 80 G 3.9243 7.9863 107.1918 45.4881 0.0000 174.2120 81 H 4.5004 7.3447 120.8192 54.7107 28.2799 173.7031 82 H 4.9808 7.5361 114.7237 54.6879 29.6625 176.5801 83 E 3.9891 8.4370 122.2137 60.2233 28.9386 178.9737 84 A 4.0822 8.0284 119.2260 54.2158 17.6575 178.2920 85 E 4.5176 7.9730 114.2041 56.3869 30.5712 177.7173 86 L 4.2368 8.0944 121.8319 57.6875 42.1783 178.5510 87 K 3.9110 8.1561 118.6118 59.3592 32.2087 177.5236 88 P 4.3432 0.0000 0.0000 65.2297 31.1723 178.5867 89 L 4.0386 7.5349 116.5753 58.1932 42.0492 178.8843 90 A 4.3548 8.5115 121.2332 55.1434 18.3595 179.2649 91 Q 3.9329 8.2761 118.2162 59.3882 29.0431 178.7433 92 S 3.9755 8.0617 113.7039 61.8681 62.5751 175.8479 93 H 4.2460 8.9450 118.5984 58.0081 28.2203 177.5329 94 A 3.4467 8.2126 122.9111 53.8805 18.7886 178.6500 95 T 4.2985 7.5109 104.6142 62.0139 69.9634 174.2983 96 K 4.3241 7.6299 117.8084 58.4216 34.8308 177.1253 97 H 4.2339 8.3099 117.6148 56.8305 29.5285 175.9766 98 K 3.4550 7.6278 117.2222 57.1650 28.7797 175.2266 99 I 4.1353 8.0302 118.6800 58.6589 38.4744 175.0107 100 P 4.5359 0.0000 0.0000 62.0294 32.1726 177.2867 101 I 3.6935 8.7055 121.1436 64.5296 36.8441 178.7952 102 K 3.9768 7.8891 120.4666 59.7235 32.2596 178.7017 103 Y 4.0818 8.1098 117.7608 60.6648 37.7871 178.2072 104 L 4.2216 7.8824 119.6176 57.4482 41.4916 179.1884 105 E 3.9976 8.3122 119.0638 59.5536 29.4727 179.2913 106 F 4.5865 7.9412 117.7831 60.7566 38.9131 177.6147 107 I 3.9155 8.2502 118.2732 63.9366 37.8100 177.9868 108 S 4.2488 8.3279 116.3192 61.5560 62.6208 176.2351 109 E 4.0215 8.8205 122.1363 59.3279 29.3449 178.7893 110 A 4.0348 8.1342 120.7729 55.0872 18.3580 179.5087 111 I 3.6771 8.2791 118.7626 64.7806 37.2288 178.5826 112 I 3.8499 7.9480 120.4025 64.7080 36.9806 177.8949 113 H 4.1499 8.4922 119.0271 59.4773 29.6919 177.5388 114 V 3.5384 8.1824 120.3019 65.8432 31.3192 178.0178 115 L 3.7447 7.9970 119.1095 57.8136 41.0635 178.9352 116 H 4.4430 8.1521 117.4944 59.2740 29.8837 177.2354 117 S 4.1866 7.8214 116.3525 61.3405 62.7480 176.1938 118 R 4.1743 7.8249 118.7726 57.0138 31.1654 176.2820 119 H 4.9906 8.1042 116.3016 53.7252 30.0487 173.1618 120 P 4.1909 0.0000 0.0000 66.0609 31.2077 178.7919 121 G 3.9610 8.1958 106.8027 47.3971 0.0000 173.4376 122 D 5.0099 8.1908 116.8215 54.0193 41.7997 175.9483 123 F 5.0662 8.4671 121.3394 56.7604 39.7888 174.7886 124 G 3.8896 7.7901 108.1485 43.7136 0.0000 172.1338 125 A 3.8837 8.5127 120.8188 55.7154 18.1408 179.8269 126 D 4.1966 7.9709 116.3370 57.2264 40.8756 178.7528 127 A 3.9510 7.7692 120.8871 55.1462 18.4855 179.4529 128 Q 3.1904 8.0989 116.9551 58.7958 28.7169 179.4175 129 G 3.5118 8.1202 106.5766 47.6950 0.0000 175.6391 130 A 3.8549 8.2556 123.7105 55.0205 18.3168 179.4311 131 M 4.0232 8.3490 117.0704 58.7846 32.2868 177.9191 132 N 4.3235 8.8470 117.5907 56.6463 39.0057 177.0460 133 K 3.9299 7.9697 119.8423 59.1309 32.1788 179.2402 134 A 3.9290 7.9604 121.2929 55.1464 18.3288 179.7188 135 L 4.1371 8.2963 117.6962 57.5651 41.6678 179.3096 136 E 3.9615 8.3884 119.8055 59.0772 29.5047 178.4823 137 L 3.9792 8.1708 120.5510 58.1667 42.0980 178.6801 138 F 4.1125 8.2396 120.2935 61.4769 39.3207 177.1468 139 R 3.3946 8.1966 118.2055 58.8107 29.7333 178.5700 140 K 3.8592 8.0775 118.4933 59.6883 32.1112 179.0981 141 D 4.3201 8.2369 119.3268 57.2320 40.7347 178.7082 142 I 3.4459 7.6086 119.1445 63.5463 37.8333 177.6662 143 A 3.7166 7.7228 121.6639 54.9587 18.1241 179.5105 144 A 3.9299 7.7013 118.8504 55.2636 18.2525 180.0536 145 K 3.9786 7.7520 115.9509 59.6126 32.4542 178.7764 146 Y 4.5671 8.3991 117.4535 61.4344 37.8421 179.1240 147 K 4.0662 8.2542 119.0954 59.5437 31.9079 179.2749 148 E 4.0952 8.0960 117.9864 58.7927 29.4134 178.3506 149 L 4.4495 7.7039 116.1872 53.8824 42.2561 177.1432 150 G 3.5933 7.9236 106.7546 45.4853 0.0000 168.4840 151 Y 3.7313 7.8123 123.9228 57.7721 37.1281 170.6003 152 Q 4.7468 8.7465 126.5072 55.3552 29.9057 176.0095 153 G 3.7530 8.0493 111.9330 45.7291 0.0000 173.9495 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 1 V 8.05 4.13 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 0.92 0.00 0.00 1.02 0.00 0.00 2 L 8.11 4.43 0.00 0.68 0.72 0.56 -1.01 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 3 S 9.77 4.42 0.00 3.80 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 4 E 8.81 4.34 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 5 G 8.10 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.05 3.90 0.00 1.90 1.67 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 2.26 2.30 0.00 7 W 7.99 4.38 0.00 3.69 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.55 4.11 0.00 2.32 2.21 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 2.45 2.63 0.00 9 L 8.05 4.09 0.00 1.87 1.77 0.90 0.88 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 10 V 8.13 3.76 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 1.21 0.00 0.00 0.99 0.00 0.00 11 L 8.47 4.29 0.00 1.84 1.80 0.93 1.25 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 12 H 8.59 4.19 0.00 3.22 3.64 0.00 5.94 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 13 V 7.96 3.76 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 1.08 0.00 0.00 1.19 0.00 0.00 14 W 8.45 3.89 0.00 3.61 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 15 A 8.00 4.00 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 16 K 7.73 3.94 0.00 1.47 1.55 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.38 7.81 17 V 7.01 2.79 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 0.00 0.00 0.01 0.00 0.00 0.08 0.00 0.00 18 E 7.73 3.98 0.00 2.03 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 0.00 2.30 2.28 0.00 19 A 7.46 4.18 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 20 D 7.82 4.66 0.00 2.67 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 21 V 7.98 3.44 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 1.05 0.00 0.00 0.86 0.00 0.00 22 A 7.99 4.05 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 23 G 8.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.22 4.14 0.00 3.17 3.20 0.00 5.63 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 25 G 8.27 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 26 Q 7.95 3.90 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 27 D 8.11 4.28 0.00 2.77 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 28 I 7.66 3.75 1.99 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 1.51 0.91 0.89 0.00 0.00 29 E 8.19 3.43 0.00 1.63 1.12 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 2.34 2.38 0.00 30 I 7.81 3.69 1.84 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 1.39 1.16 0.90 0.00 0.00 31 R 7.92 3.85 0.00 1.92 2.10 0.00 3.03 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.72 3.95 0.00 1.78 1.53 1.06 0.93 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 33 F 8.46 4.66 0.00 3.00 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 34 K 7.45 4.17 0.00 1.79 1.90 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.43 7.81 35 S 8.03 4.32 0.00 3.53 3.62 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 36 H 7.75 4.61 0.00 2.96 2.64 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.61 0.00 2.14 2.09 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 38 E 8.27 4.01 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 39 T 8.15 4.03 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 40 L 7.80 3.53 0.00 1.15 1.45 -0.23 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.62 3.94 0.00 2.19 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 2.35 2.35 0.00 42 K 7.71 4.07 0.00 2.09 1.88 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.81 7.81 43 H 7.83 4.54 0.00 3.05 3.08 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.41 4.69 0.00 2.54 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 45 R 7.33 4.14 0.00 1.76 1.80 0.00 2.65 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 46 F 7.55 5.09 0.00 2.96 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 47 K 8.05 4.20 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.52 7.81 48 H 8.44 4.88 0.00 3.28 3.37 0.00 5.49 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.62 4.56 0.00 1.83 1.63 1.05 0.84 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 50 K 9.55 4.45 0.00 1.69 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 51 T 7.37 4.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 E 8.75 3.87 0.00 2.06 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 2.36 2.37 0.00 53 A 7.94 3.96 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 54 E 8.03 3.87 0.00 2.21 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 2.29 2.38 0.00 55 M 8.60 4.17 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 56 K 8.57 4.12 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.56 4.50 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 58 S 7.48 4.22 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.81 4.03 0.00 2.10 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 2.39 2.37 0.00 60 D 8.22 4.44 0.00 2.96 3.04 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 61 L 8.05 3.26 0.00 0.95 1.51 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.88 3.91 0.00 1.95 1.95 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.60 3.98 0.00 2.03 2.10 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.86 1.57 7.81 64 H 8.53 4.31 0.00 3.61 3.73 0.00 5.80 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 65 G 8.35 3.68 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 0.00 0.00 0.00 66 V 7.68 3.59 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 1.05 0.00 0.00 0.93 0.00 0.00 67 T 8.08 3.89 4.49 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 1.28 0.00 0.00 68 V 7.91 3.59 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 0.92 0.00 0.00 69 L 8.35 4.22 0.00 1.89 1.90 0.97 0.66 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 70 T 8.51 3.97 4.45 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 1.25 0.00 0.00 71 A 7.93 3.97 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 72 L 8.10 3.68 0.00 1.58 1.73 0.27 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.14 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 0.00 0.00 0.00 74 A 7.76 4.01 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 75 I 7.43 3.79 1.81 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 1.53 0.98 0.85 0.00 0.00 76 L 7.82 3.94 0.00 1.37 1.58 -0.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 3.90 0.00 1.64 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.58 7.81 78 K 7.71 3.99 0.00 1.71 1.81 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.54 7.81 79 K 8.40 2.00 0.00 1.23 0.74 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.51 1.06 7.81 80 G 7.99 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 81 H 7.34 4.50 0.00 3.06 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.54 4.98 0.00 3.31 3.41 0.00 5.54 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 83 E 8.44 3.99 0.00 2.04 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 2.32 2.28 0.00 84 A 8.03 4.08 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 85 E 7.97 4.52 0.00 1.98 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 0.00 2.31 2.28 0.00 86 L 8.09 4.24 0.00 2.07 1.64 1.01 0.32 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 87 K 8.16 3.91 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 88 P 0.00 4.34 0.00 2.20 2.14 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.17 0.00 89 L 7.53 4.04 0.00 1.81 1.89 0.98 1.38 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 90 A 8.51 4.35 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.28 3.93 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 92 S 8.06 3.98 0.00 4.19 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 93 H 8.95 4.25 0.00 3.57 3.57 0.00 5.85 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 94 A 8.21 3.45 1.01 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 95 T 7.51 4.30 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 1.22 0.00 0.00 96 K 7.63 4.32 0.00 1.63 1.58 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.33 7.81 97 H 8.31 4.23 0.00 3.05 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.63 3.45 0.00 1.71 1.58 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.42 1.14 7.81 99 I 8.03 4.14 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 1.14 0.00 0.00 100 P 0.00 4.54 0.00 2.08 2.07 0.00 2.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 101 I 8.71 3.69 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 0.83 0.00 0.00 102 K 7.89 3.98 0.00 1.63 1.94 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 103 Y 8.11 4.08 0.00 3.24 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 0.00 104 L 7.88 4.22 0.00 1.94 1.80 1.15 0.76 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 0.00 105 E 8.31 4.00 0.00 2.03 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 2.32 2.52 0.00 106 F 7.94 4.59 0.00 3.15 2.90 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 0.00 107 I 8.25 3.92 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 1.09 0.00 0.00 108 S 8.33 4.25 0.00 4.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.02 0.00 2.43 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 2.40 2.44 0.00 110 A 8.13 4.03 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 0.00 111 I 8.28 3.68 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 1.09 0.00 0.00 112 I 7.95 3.85 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.94 1.17 0.00 0.00 113 H 8.49 4.15 0.00 3.23 3.51 0.00 5.59 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 0.00 114 V 8.18 3.54 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 115 L 8.00 3.74 0.00 1.16 0.17 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.15 4.44 0.00 3.51 3.42 0.00 5.76 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 0.00 117 S 7.82 4.19 0.00 3.94 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 0.00 118 R 7.82 4.17 0.00 1.62 1.54 0.00 2.63 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 119 H 8.10 4.99 0.00 3.21 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.19 0.00 2.19 2.21 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.20 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 0.00 0.00 0.00 122 D 8.19 5.01 0.00 2.72 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 0.00 123 F 8.47 5.07 0.00 2.95 3.03 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 0.00 124 G 7.79 3.89 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 0.00 0.00 0.00 125 A 8.51 3.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.97 4.20 0.00 2.69 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 0.00 127 A 7.77 3.95 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 Q 8.10 3.19 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.31 1.96 0.00 129 G 8.12 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.26 3.85 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 4.02 0.00 2.43 2.39 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.85 4.32 0.00 3.00 2.79 0.00 0.00 7.22 6.97 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 0.00 133 K 7.97 3.93 0.00 1.82 1.67 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.57 7.81 134 A 7.96 3.93 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 0.00 135 L 8.30 4.14 0.00 1.77 1.84 1.01 0.87 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 0.00 136 E 8.39 3.96 0.00 2.13 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 2.31 2.32 0.00 137 L 8.17 3.98 0.00 1.97 2.01 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.24 4.11 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.39 0.00 2.09 1.82 0.00 3.21 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 140 K 8.08 3.86 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.63 7.81 141 D 8.24 4.32 0.00 2.74 2.70 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 0.00 142 I 7.61 3.45 1.20 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.78 0.18 0.00 0.00 143 A 7.72 3.72 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 0.00 144 A 7.70 3.93 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 0.00 145 K 7.75 3.98 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.61 7.81 146 Y 8.40 4.57 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 0.00 147 K 8.25 4.07 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.69 7.81 148 E 8.10 4.10 0.00 2.13 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 2.35 2.57 0.00 149 L 7.70 4.45 0.00 1.67 1.73 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.92 3.59 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 0.00 0.00 0.00 151 Y 7.81 3.73 0.00 3.13 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 0.00 152 Q 8.75 4.75 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 153 G 8.05 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00