NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4255 8.2893 120.3520 54.1150 34.5108 175.7247 2 S 4.3555 7.3339 112.8422 55.0841 65.8143 173.3886 3 N 4.7692 9.0181 116.6680 53.0147 38.0362 177.9255 4 I 3.6451 7.3577 123.1848 64.8245 38.1090 177.7640 5 N 4.3508 8.0504 116.8311 56.1367 38.3555 177.0745 6 L 3.8539 7.7896 121.4352 57.9213 42.1577 179.0314 7 V 3.5360 8.0825 118.6976 66.0196 31.4876 177.8592 8 Q 3.9374 8.1122 119.3881 58.8843 28.8569 177.9880 9 L 3.8526 7.8614 121.5657 57.9835 42.1097 179.1847 10 V 3.6889 7.8906 118.5557 66.0301 31.4214 178.2186 11 R 3.9976 8.3110 116.2238 59.3568 28.7153 178.5165 12 D 4.5416 8.2216 119.5950 57.4311 40.4217 178.8558 13 S 4.4334 8.2929 115.5721 61.7890 62.8313 176.8653 14 L 4.0151 8.0937 121.6290 57.6962 41.0550 179.5527 15 F 4.0164 7.8909 117.3769 60.7938 38.8911 177.5377 16 T 4.1270 7.6341 113.8866 66.4134 68.3070 176.6025 17 I 3.9776 7.4021 120.7913 62.4427 37.2727 176.9812 18 G 4.0501 7.8915 106.3613 45.3466 0.0000 173.0218 19 C 4.5681 7.5034 116.4816 57.1395 30.3691 171.5092 20 P 4.2684 0.0000 0.0000 61.2297 31.9607 174.7944 21 P 4.5438 0.0000 0.0000 63.3912 31.1947 178.2995 22 S 4.2109 7.5616 116.1277 61.2980 63.4904 175.4007 23 I 3.8646 7.6142 112.7699 61.9342 37.7337 174.8265 24 I 4.7469 7.1342 122.5766 60.8291 37.8026 175.2770 25 T 4.8998 8.6974 116.7862 60.2670 72.6042 172.1729 26 D 4.7104 8.1627 119.1453 53.0839 41.2953 175.7725 27 L 4.1935 8.5468 120.2871 57.4403 42.0750 176.5815 28 D 4.5068 7.1000 114.7419 53.1241 42.1561 175.7367 29 S 4.7372 8.3921 111.8986 59.6273 63.2036 174.4089 30 H 4.8553 8.4670 116.9190 55.4982 29.7795 173.5915 31 S 4.6056 7.5443 113.5110 56.4707 64.6826 173.4885 32 A 4.4542 8.2954 121.9476 52.1862 19.0656 176.9022 33 I 4.5587 8.7413 120.4972 60.1521 39.9131 175.1900 34 T 4.8001 8.8091 121.7447 61.8361 72.3665 172.9185 35 I 4.7192 8.6452 127.8501 59.5854 38.9121 175.3273 36 S 4.6522 8.4155 124.0468 58.2654 63.2896 174.2767 37 L 4.8550 8.2719 122.7702 52.7484 44.4179 175.8276 38 D 4.4789 8.5718 121.3189 55.1449 41.3642 177.0684 39 S 4.0043 9.0325 118.8311 59.2941 60.4158 171.2155 40 M 4.7516 7.3064 117.8962 53.1531 35.9891 173.2388 41 P 4.1259 0.0000 0.0000 62.5009 31.9967 176.3936 42 A 4.3061 7.9926 122.0002 52.0674 19.5952 176.8850 43 I 4.1770 8.3182 120.8493 60.3256 38.9097 174.7768 44 N 4.9136 8.5632 124.8234 51.3723 41.0651 174.1188 45 I 5.1481 8.1853 122.4197 59.7861 41.5512 174.2141 46 A 4.9188 9.2224 126.8619 50.8972 23.4232 174.8968 47 L 4.7784 8.4933 119.6283 53.7684 42.7115 177.0615 48 V 4.0750 8.9831 125.0898 61.5758 32.7483 175.1351 49 N 4.2222 9.2841 127.2639 54.7521 35.4919 174.8234 50 E 3.8701 8.3928 111.3889 57.0427 27.8764 174.5758 51 Q 4.7398 7.5552 117.6677 53.9546 32.6755 174.7652 52 V 4.4180 8.4096 123.0493 62.6707 33.1658 174.1259 53 M 5.2999 9.3629 128.0139 53.7744 35.2376 174.0752 54 L 5.4663 8.7913 125.3588 52.8674 45.0696 175.4414 55 W 5.8898 8.6534 118.2594 55.6585 32.1682 173.2286 56 A 4.9133 9.4626 122.4406 50.5331 22.3757 174.8073 57 N 5.1212 8.6057 119.7071 51.9028 39.8709 174.4408 58 F 4.7614 9.3325 123.8008 55.5927 41.4878 175.5347 59 D 4.8664 9.0408 122.2282 54.6010 41.1921 176.3228 60 A 4.2901 8.4408 126.4758 51.4089 18.8207 175.7807 61 P 4.4356 0.0000 0.0000 61.9463 32.6169 176.7033 62 S 4.4033 8.2584 114.9472 57.9625 65.1479 174.7695 63 D 4.3206 8.4998 120.7248 57.4750 40.7798 178.4169 64 V 3.6651 7.7156 119.2689 64.5822 31.4922 178.1704 65 K 3.9444 7.9896 119.9437 59.1272 32.0397 178.5635 66 L 3.9733 8.0085 120.7471 58.1318 41.7283 178.9376 67 Q 4.0114 7.8403 117.4690 59.0981 28.7845 178.7825 68 S 4.3206 7.7206 113.7646 60.6035 63.6092 175.5934 69 S 4.5876 8.0720 116.4247 58.1398 63.0848 175.6358 70 A 3.9931 7.9161 125.2251 55.4867 18.0414 179.0670 71 Y 4.1099 8.0189 117.2406 61.0933 38.9604 177.9736 72 N 4.0860 8.1252 116.8504 56.2028 38.6126 177.4096 73 I 3.6096 7.7769 121.3312 64.0451 37.1657 178.2105 74 L 3.8586 8.1545 121.5995 58.2428 41.7275 178.6659 75 N 4.1316 7.7118 115.2629 56.1495 38.8176 176.8216 76 L 4.0107 7.6719 121.5138 58.5174 42.0287 179.0386 77 M 4.1410 7.9671 117.0366 57.6425 31.9489 177.8213 78 L 4.3134 7.5689 117.1245 54.5334 42.4057 176.8463 79 M 4.2594 7.3144 119.9063 54.8038 32.5192 176.2238 80 N 4.6790 8.5872 120.9706 53.2728 39.6899 174.8065 81 F 4.6268 8.9029 122.9083 56.3617 40.9255 175.7020 82 S 4.0119 8.1862 125.0708 61.0419 62.8603 175.2064 83 Y 4.3274 7.1722 116.2471 58.2483 38.6738 175.3684 84 S 5.0553 8.1736 115.6173 57.5610 63.2755 174.7897 85 I 3.9634 8.5022 119.8196 63.0117 37.4401 176.5206 86 N 4.8589 7.8180 116.2481 52.0052 37.6333 174.2500 87 E 4.3552 8.4043 116.5808 56.9156 28.7662 173.2837 88 L 5.1832 7.9437 114.8694 52.9327 45.8764 175.4683 89 V 4.2242 8.1460 119.7093 61.7248 32.8754 174.9602 90 E 4.6386 9.4452 127.0607 55.0221 31.9582 174.7282 91 L 5.1635 8.3059 123.6296 53.7693 44.5596 175.1814 92 H 5.0835 9.3488 123.3140 53.8722 32.6889 173.2011 93 R 4.6191 8.6018 120.7321 56.0256 31.1476 176.5289 94 S 4.3748 9.1095 118.3766 57.3743 64.9562 173.6080 95 D 4.1418 8.3255 131.1104 55.8284 40.9906 173.5352 96 E 4.3771 8.5285 113.2632 56.1044 29.7044 174.6077 97 Y 5.4002 8.0974 116.4165 56.7793 42.6709 174.0871 98 L 4.9989 9.3883 123.7528 53.7609 44.0782 174.7000 99 Q 5.2959 9.3905 128.6612 54.3718 31.5387 173.8305 100 L 5.0122 8.9959 128.9697 54.3793 43.8462 175.2412 101 R 5.5587 9.2810 125.9327 55.0861 34.1430 173.8949 102 V 4.7913 8.9914 124.1802 60.1578 35.5341 173.7194 103 V 4.7656 8.4477 122.7846 61.3665 33.6806 174.2984 104 I 5.0206 8.7000 129.4992 60.1457 38.4687 176.3127 105 K 4.2247 9.2075 125.9138 56.1942 32.6036 177.9258 106 D 4.3992 8.7706 121.5587 57.3362 41.3220 178.2236 107 D 4.2021 7.8872 117.7387 56.6950 40.7375 176.6239 108 Y 4.9917 7.6059 114.4407 57.8916 38.2352 176.2107 109 V 4.3886 7.5149 111.8144 61.5469 32.0455 175.8419 110 H 4.8492 8.1830 113.6815 54.9766 29.9208 173.6986 111 D 4.6805 7.9148 119.3042 51.7332 43.6361 175.6776 112 G 3.7521 8.8170 115.1364 48.6523 0.0000 174.3796 113 I 3.7972 7.9844 122.0369 64.2770 37.2705 178.6378 114 V 3.6656 7.9474 118.6973 65.9833 31.4527 177.7501 115 F 4.0177 8.6129 120.2096 60.8645 39.1135 176.9467 116 A 3.9493 7.9644 120.8871 55.1161 18.1663 179.2149 117 E 3.8478 7.6501 116.4038 59.1738 29.5619 179.1165 118 I 3.2959 7.0000 119.5392 64.1878 37.0205 178.3330 119 L 3.9072 7.6569 119.9424 57.9677 41.4077 179.0510 120 H 4.1626 8.3033 118.1147 59.4873 29.8250 177.2456 121 E 4.0449 8.4550 120.4109 59.2426 29.2621 179.0750 122 F 4.1381 8.7511 121.0509 61.4201 39.3882 176.4902 123 Y 4.0171 8.5744 119.5395 60.8994 38.6489 178.1372 124 Q 4.1205 8.3127 118.9383 59.1046 28.7944 179.1091 125 R 3.8388 8.0725 119.0872 59.3255 30.0274 178.9778 126 M 3.9698 7.7595 118.5973 58.3566 31.9533 178.5785 127 E 3.8188 8.0795 118.9511 59.3509 29.3564 179.5718 128 I 3.5855 7.2374 118.5275 64.2198 37.4789 177.9445 129 L 3.8234 7.6922 121.1283 58.0374 41.6091 178.3257 130 N 4.4442 8.4717 117.5618 56.8106 38.6489 176.8817 131 G 3.6881 7.9273 105.4280 46.4973 0.0000 174.4188 132 V 4.3075 7.3095 112.1693 60.9433 32.5204 175.7823 133 L 4.2793 7.5520 125.8689 54.8261 41.6275 176.2253 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 M 8.29 4.43 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 S 7.33 4.36 0.00 4.12 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 3 N 9.02 4.77 0.00 2.99 3.07 0.00 0.00 7.06 8.23 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 4 I 7.36 3.65 1.84 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 1.51 1.18 0.89 0.00 0.00 5 N 8.05 4.35 0.00 2.78 2.82 0.00 0.00 6.72 6.74 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 6 L 7.79 3.85 0.00 1.70 1.79 0.74 0.90 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 7 V 8.08 3.54 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 1.02 0.00 0.00 1.03 0.00 0.00 8 Q 8.11 3.94 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 9 L 7.86 3.85 0.00 1.72 1.58 0.84 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.89 3.69 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 1.04 0.00 0.00 0.96 0.00 0.00 11 R 8.31 4.00 0.00 2.16 2.22 0.00 2.87 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 12 D 8.22 4.54 0.00 3.01 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 13 S 8.29 4.43 0.00 4.24 4.06 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 14 L 8.09 4.02 0.00 1.79 1.72 0.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.89 4.02 0.00 3.17 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 16 T 7.63 4.13 4.42 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 1.23 0.00 0.00 17 I 7.40 3.98 1.94 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 1.41 0.61 0.82 0.00 0.00 18 G 7.89 4.05 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 0.00 19 C 7.50 4.57 0.00 2.84 2.75 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 20 P 0.00 4.27 0.00 2.09 2.03 0.00 3.58 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 1.95 1.86 0.00 21 P 0.00 4.54 0.00 2.23 2.28 0.00 3.46 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 22 S 7.56 4.21 0.00 3.93 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 23 I 7.61 3.86 1.83 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 1.54 0.53 0.86 0.00 0.00 24 I 7.13 4.75 1.95 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 1.26 0.82 0.89 0.00 0.00 25 T 8.70 4.90 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 1.26 0.00 0.00 26 D 8.16 4.71 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.55 4.19 0.00 1.70 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.10 4.51 0.00 2.86 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 29 S 8.39 4.74 0.00 3.90 4.07 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 0.00 0.00 0.00 30 H 8.47 4.86 0.00 3.15 3.32 0.00 5.64 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 31 S 7.54 4.61 0.00 4.05 4.10 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 32 A 8.30 4.45 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 33 I 8.74 4.56 1.93 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 1.21 0.63 0.91 0.00 0.00 34 T 8.81 4.80 4.16 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 1.09 0.00 0.00 35 I 8.65 4.72 1.84 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 1.20 0.95 0.89 0.00 0.00 36 S 8.42 4.65 0.00 3.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.27 4.85 0.00 1.60 1.63 1.15 1.17 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 38 D 8.57 4.48 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 9.03 4.00 0.00 4.03 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 40 M 7.31 4.75 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 41 P 0.00 4.13 0.00 1.39 1.69 0.00 3.18 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.52 0.00 42 A 7.99 4.31 1.09 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 43 I 8.32 4.18 1.86 0.00 0.00 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 1.48 0.68 0.84 0.00 0.00 44 N 8.56 4.91 0.00 1.44 1.42 0.00 0.00 6.35 7.16 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 45 I 8.19 5.15 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 1.02 0.00 0.00 46 A 9.22 4.92 1.52 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 47 L 8.49 4.78 0.00 1.57 1.65 0.97 0.81 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 48 V 8.98 4.07 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 0.94 0.00 0.00 0.86 0.00 0.00 49 N 9.28 4.22 0.00 2.90 2.86 0.00 0.00 7.20 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 50 E 8.39 3.87 0.00 2.13 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 2.21 2.26 0.00 51 Q 7.56 4.74 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 52 V 8.41 4.42 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 1.21 0.00 0.00 0.91 0.00 0.00 53 M 9.36 5.30 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 54 L 8.79 5.47 0.00 1.02 0.43 1.00 0.51 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 55 W 8.65 5.89 0.00 3.55 3.19 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 56 A 9.46 4.91 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 57 N 8.61 5.12 0.00 2.09 1.85 0.00 0.00 6.99 7.45 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 58 F 9.33 4.76 0.00 3.12 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 59 D 9.04 4.87 0.00 2.66 2.67 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 60 A 8.44 4.29 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 61 P 0.00 4.44 0.00 2.19 2.06 0.00 3.79 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 1.98 1.94 0.00 62 S 8.26 4.40 0.00 4.07 4.05 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 63 D 8.50 4.32 0.00 2.73 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 64 V 7.72 3.67 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 0.80 0.00 0.00 0.93 0.00 0.00 65 K 7.99 3.94 0.00 1.91 1.99 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.48 7.81 66 L 8.01 3.97 0.00 1.99 1.79 0.91 0.70 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 67 Q 7.84 4.01 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 68 S 7.72 4.32 0.00 4.00 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 69 S 8.07 4.59 0.00 4.02 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 70 A 7.92 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.02 4.11 0.00 2.95 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 72 N 8.13 4.09 0.00 2.90 2.77 0.00 0.00 7.11 7.36 0.00 0.00 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 I 7.78 3.61 1.93 0.00 0.00 0.80 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 0.60 0.83 0.00 0.00 74 L 8.15 3.86 0.00 1.85 1.73 0.90 0.58 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 75 N 7.71 4.13 0.00 2.55 2.65 0.00 0.00 7.04 8.02 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 76 L 7.67 4.01 0.00 1.66 1.74 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.97 4.14 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 78 L 7.57 4.31 0.00 1.72 1.69 0.90 0.97 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 79 M 7.31 4.26 0.00 2.07 2.13 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 2.84 2.49 0.00 80 N 8.59 4.68 0.00 2.72 2.76 0.00 0.00 6.75 7.45 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 81 F 8.90 4.63 0.00 3.10 2.95 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 82 S 8.19 4.01 0.00 2.88 3.38 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 83 Y 7.17 4.33 0.00 3.07 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 84 S 8.17 5.06 0.00 4.23 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 85 I 8.50 3.96 1.93 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 1.56 0.77 1.06 0.00 0.00 86 N 7.82 4.86 0.00 2.86 2.93 0.00 0.00 6.92 7.88 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 87 E 8.40 4.36 0.00 2.26 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 2.22 2.24 0.00 88 L 7.94 5.18 0.00 1.63 1.52 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.15 4.22 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 0.83 0.00 0.00 0.49 0.00 0.00 90 E 9.45 4.64 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 91 L 8.31 5.16 0.00 1.54 1.47 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.35 5.08 0.00 3.08 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.60 4.62 0.00 1.73 1.90 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 94 S 9.11 4.37 0.00 3.86 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 95 D 8.33 4.14 0.00 2.89 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 0.00 0.00 0.00 96 E 8.53 4.38 0.00 1.92 1.93 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 1.47 1.47 0.00 97 Y 8.10 5.40 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.39 5.00 0.00 1.81 1.60 0.96 0.70 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 99 Q 9.39 5.30 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 100 L 9.00 5.01 0.00 2.02 1.70 0.87 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.28 5.56 0.00 2.02 1.83 0.00 3.27 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 102 V 8.99 4.79 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 0.39 0.00 0.00 0.93 0.00 0.00 103 V 8.45 4.77 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 1.10 0.00 0.00 0.95 0.00 0.00 104 I 8.70 5.02 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 1.31 0.00 0.00 105 K 9.21 4.22 0.00 1.97 1.86 0.00 1.98 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.65 7.81 106 D 8.77 4.40 0.00 2.76 2.67 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 0.00 107 D 7.89 4.20 0.00 1.58 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 0.00 0.00 0.00 108 Y 7.61 4.99 0.00 3.18 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 0.00 109 V 7.51 4.39 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.81 0.00 0.00 110 H 8.18 4.85 0.00 3.12 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.91 4.68 0.00 2.71 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 0.00 112 G 8.82 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 0.00 113 I 7.98 3.80 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 1.43 1.16 0.93 0.00 0.00 114 V 7.95 3.67 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 115 F 8.61 4.02 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.96 3.95 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 0.00 117 E 7.65 3.85 0.00 2.06 1.90 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 2.31 2.37 0.00 118 I 7.00 3.30 1.30 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.36 0.70 0.00 0.00 119 L 7.66 3.91 0.00 1.74 1.69 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.30 4.16 0.00 3.27 3.47 0.00 5.78 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 0.00 121 E 8.45 4.04 0.00 2.21 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 0.00 2.38 2.60 0.00 122 F 8.75 4.14 0.00 3.20 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 0.00 123 Y 8.57 4.02 0.00 3.21 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 0.00 124 Q 8.31 4.12 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 125 R 8.07 3.84 0.00 1.59 1.77 0.00 3.29 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 126 M 7.76 3.97 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.56 0.00 127 E 8.08 3.82 0.00 2.04 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 2.02 1.72 0.00 128 I 7.24 3.59 1.89 0.00 0.00 0.80 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 0.54 0.81 0.00 0.00 129 L 7.69 3.82 0.00 1.35 1.13 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.47 4.44 0.00 3.15 2.96 0.00 0.00 7.14 8.00 0.00 0.00 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 G 7.93 3.69 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 0.00 0.00 0.00 132 V 7.31 4.31 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 0.69 0.00 0.00 0.92 0.00 0.00 133 L 7.55 4.28 0.00 1.62 1.59 0.84 0.69 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