NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2126 8.3144 121.7901 55.5681 33.1619 175.1353 2 E 3.7511 8.5979 125.1125 55.1221 30.0467 175.4176 3 T 4.1915 8.7473 118.5203 61.1980 72.1846 174.9797 4 A 4.0041 8.5012 123.0799 55.2170 18.2916 179.9424 5 A 3.9480 7.9741 118.7143 55.3062 18.5718 179.6067 6 A 4.0190 8.0125 119.1100 55.0649 18.3858 179.7710 7 K 4.1314 8.3213 119.7514 59.0195 32.2677 178.8076 8 F 4.0781 8.3254 120.9934 61.3300 39.3492 176.9757 9 E 4.0489 8.2439 118.0096 59.4791 29.0775 179.3028 10 R 3.8986 7.9167 117.5131 59.5155 30.2315 178.1339 11 Q 4.0037 7.9456 116.3994 57.6517 29.1245 176.1332 12 H 4.5848 7.8580 113.9338 53.8379 31.5318 173.0625 13 M 4.6859 8.0254 118.7552 53.6866 33.4200 176.4348 14 D 4.8445 9.1577 123.3625 52.8413 41.0129 175.8756 15 S 4.4161 8.4321 116.1863 59.8942 63.5884 175.5104 16 S 4.4488 7.8144 113.8868 59.3865 63.2829 174.1211 17 T 4.7292 7.3828 109.9995 60.2140 71.5318 173.9926 18 S 4.2400 8.5249 118.1312 60.5766 63.4185 173.7607 19 A 3.7897 6.8997 119.8893 50.8438 21.3507 175.3044 20 A 3.2696 8.0354 123.2879 52.1213 18.6316 178.0255 21 S 4.4988 8.4313 116.7158 58.6809 64.3212 173.5813 22 S 4.6117 7.4253 114.9489 57.0984 65.3795 175.0713 23 S 4.2825 8.5706 114.7178 60.6556 63.0311 174.6294 24 N 4.7194 8.0453 117.6477 53.5549 39.0427 176.0204 25 Y 3.9688 8.0207 120.5565 61.1274 38.7892 177.5558 26 C 4.1610 8.2614 116.7734 60.1117 39.6889 175.7695 27 N 4.4161 8.2501 117.4626 56.6232 38.1612 177.3646 28 Q 3.9385 8.0476 119.1271 59.2029 28.8222 178.5928 29 M 3.7041 7.8970 120.0703 58.3884 31.8037 178.7467 30 M 4.0026 8.2492 119.3156 58.0991 32.0316 178.8296 31 K 3.9551 7.6676 118.8096 59.5773 32.2597 179.2187 32 S 4.1144 7.8585 112.5414 61.1425 63.0815 175.1013 33 R 4.1794 8.0584 117.6787 55.8829 29.7881 176.0112 34 N 4.2937 7.8411 114.2536 54.5487 36.5547 174.8718 35 L 4.4117 7.9979 116.8128 55.4828 41.8905 177.9636 36 T 5.3911 7.5196 106.9733 60.1924 69.4770 174.9444 37 K 4.1779 8.4560 124.8759 59.7798 32.3357 177.3130 38 D 4.7582 7.8081 115.9825 55.0107 42.5939 175.8158 39 R 3.8133 7.2810 113.2719 55.4212 31.5200 174.1213 40 C 4.7816 8.7257 116.3469 55.5625 40.1623 173.9715 41 K 4.1706 8.2423 126.5015 55.7734 32.4109 174.8763 42 P 4.6229 0.0000 0.0000 65.6082 32.3989 176.7038 43 V 5.1892 7.5923 110.9689 59.6576 35.7937 174.6324 44 N 4.7148 8.9875 121.3567 52.7654 42.5076 173.0068 45 T 4.7885 7.9267 121.6655 61.6754 71.6234 172.9469 46 F 4.7802 8.9240 124.3705 55.6664 42.1037 174.6781 47 V 4.4156 9.0898 122.7329 61.0512 33.5991 175.6409 48 H 5.2330 8.6021 128.2556 53.6861 26.2843 173.0321 49 E 4.7809 7.6493 118.0795 53.4766 34.7357 176.2572 50 S 4.3841 8.3724 114.8058 58.1205 65.0984 174.8287 51 L 3.9929 8.5743 125.0625 58.5277 41.9824 179.1705 52 A 4.0720 8.0738 120.0832 55.4701 18.0432 179.2074 53 D 4.3687 7.5954 116.0324 57.1843 41.1517 178.8414 54 V 3.8101 7.6715 118.5784 66.0089 31.7531 178.1263 55 Q 3.8976 8.5697 117.9820 58.8165 28.5146 178.6657 56 A 4.0471 7.9828 121.3465 54.6040 18.2501 179.6645 57 V 3.5004 7.6290 117.1530 66.0319 31.3052 176.9037 58 C 3.7240 7.6513 114.1630 57.8410 39.8258 174.0678 59 S 4.6997 7.5683 114.5386 57.8909 63.8900 174.8150 60 Q 4.3971 7.5959 121.1083 56.1133 27.8954 176.9153 61 K 4.1929 7.7620 129.0732 57.1549 33.0839 175.6848 62 N 4.3697 8.7946 127.3054 53.4632 39.7531 174.3229 63 V 4.5764 8.6041 118.2243 59.3077 36.8571 174.5946 64 A 4.2837 8.3737 125.1519 51.9874 19.1476 178.6005 65 C 4.6608 9.0571 120.1197 56.2883 41.0801 175.2386 66 K 3.8238 9.0700 121.6102 59.6569 31.5529 178.2871 67 N 4.5387 7.9861 113.1155 53.0303 37.6913 175.0189 68 G 4.0671 8.1376 107.7933 45.9612 0.0000 174.7401 69 Q 4.1056 8.5428 118.9680 56.7227 29.1696 176.9878 70 T 4.5622 8.3661 109.5701 61.6129 69.2718 173.7621 71 N 5.0024 7.9068 118.4158 53.8669 38.6537 174.8659 72 C 5.4023 7.4668 115.4690 56.8012 44.3121 172.6676 73 Y 5.1144 8.9392 118.3637 56.4000 42.2862 173.8755 74 Q 5.2074 9.1414 124.5857 53.9400 31.8059 174.9057 75 S 4.3933 8.5927 121.3658 58.5839 63.1576 174.4081 76 Y 4.4501 8.9679 121.0931 60.2802 37.9765 176.3702 77 S 4.9306 7.8601 114.2026 56.4724 65.7512 173.6226 78 T 4.2452 8.0446 112.3059 61.9579 69.9599 173.6162 79 M 5.0531 9.0048 121.6553 53.4674 37.0022 174.5233 80 S 4.8791 9.4076 117.3647 58.2038 63.6671 173.1063 81 I 5.2111 8.9585 120.0201 59.5298 41.6665 174.0839 82 T 5.0631 8.7917 119.6749 61.9159 71.6318 172.4789 83 D 4.9499 9.3786 127.1765 53.1650 43.2052 174.1867 84 C 5.5968 9.1149 123.8387 55.2782 37.9260 172.8647 85 R 5.3150 8.8284 124.2993 54.0086 32.8126 174.2057 86 E 4.0166 8.9990 127.8191 57.0389 30.3962 176.2744 87 T 4.4423 8.4409 116.3904 59.7439 71.3234 175.8574 88 G 3.5428 8.6868 110.2552 48.5313 0.0000 174.6330 89 S 4.4172 7.4445 112.4052 58.4923 63.0941 174.2067 90 S 4.0598 7.9055 117.3888 57.8621 62.5232 173.5600 91 K 4.3592 8.8214 128.9914 54.8361 34.1438 174.5003 92 Y 4.2093 8.7720 127.9368 57.6819 38.9598 174.3300 93 P 3.1394 0.0000 0.0000 63.2324 32.2272 176.8832 94 N 4.6267 7.9484 119.8192 52.1010 37.0036 173.0802 95 C 4.6832 7.9772 117.6082 56.5540 41.8449 173.1519 96 A 5.0707 8.4712 124.7205 50.4314 21.9574 174.6247 97 Y 5.1057 9.4773 118.3211 56.0959 42.4760 174.6790 98 K 4.5645 9.3562 123.5857 55.4628 34.2779 175.1106 99 T 5.0468 8.5646 123.9219 62.5356 70.2857 174.1667 100 T 4.6352 8.7946 122.6759 61.8743 72.0325 173.3188 101 Q 4.8091 8.8024 125.2727 55.5534 30.2503 174.8482 102 A 4.5750 8.5841 122.5127 51.3558 23.6175 175.2154 103 N 5.3399 8.6768 115.6715 51.7933 41.3920 174.0336 104 K 4.7401 8.7320 122.2812 54.8979 37.7728 175.4365 105 H 4.8524 8.8240 118.2400 55.7706 30.1203 174.8911 106 I 4.9030 8.5747 115.2791 59.2864 40.8617 174.3774 107 I 4.9581 8.1492 123.9833 59.7320 40.2780 175.1171 108 V 4.7470 8.6120 119.0468 59.3730 36.3030 174.1763 109 A 5.1255 8.6533 124.1022 50.7942 20.8940 175.5245 110 C 5.1323 8.6342 119.4341 55.4027 38.4154 173.2096 111 E 4.7549 8.8208 120.0492 56.5395 34.5387 175.9888 112 G 4.0911 9.9554 108.5997 44.9136 0.0000 171.7212 113 N 5.0059 8.2406 117.1380 51.1170 40.6913 172.7066 114 P 4.2835 0.0000 0.0000 63.0455 31.7704 175.7465 115 Y 4.8813 8.3209 121.3784 57.1071 38.6182 174.6012 116 V 4.4127 8.1279 119.5193 58.2383 36.2323 173.6187 117 P 4.3866 0.0000 0.0000 62.9413 31.2377 176.9102 118 V 4.5247 8.7915 114.8268 61.0772 33.9487 175.1434 119 H 5.0252 7.9420 119.6843 54.9619 33.4204 171.6219 120 F 4.5994 8.7625 127.8673 57.4213 39.5691 174.3608 121 D 4.5926 8.2557 126.5938 55.7133 42.0847 175.7958 122 A 4.6213 6.2967 117.6998 51.6437 22.3222 174.8519 123 S 5.1704 8.8952 113.2340 56.7330 65.8401 174.7047 124 V 4.1547 8.8159 115.6057 61.6682 32.0154 175.3648 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 K 8.31 4.21 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.60 3.75 0.00 2.13 1.84 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 2.40 2.38 0.00 3 T 8.75 4.19 4.26 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 1.23 0.00 0.00 4 A 8.50 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.97 3.95 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 A 8.01 4.02 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 7 K 8.32 4.13 0.00 1.96 2.05 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.33 4.08 0.00 3.27 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 9 E 8.24 4.05 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 10 R 7.92 3.90 0.00 1.81 2.08 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.95 4.00 0.00 1.44 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 12 H 7.86 4.58 0.00 2.06 2.68 0.00 5.60 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 13 M 8.03 4.69 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 14 D 9.16 4.84 0.00 2.75 2.55 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 0.00 15 S 8.43 4.42 0.00 3.94 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 16 S 7.81 4.45 0.00 4.01 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 17 T 7.38 4.73 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 1.26 0.00 0.00 18 S 8.52 4.24 0.00 3.83 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 19 A 6.90 3.79 1.04 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 0.00 0.00 20 A 8.04 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.43 4.50 0.00 3.97 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 22 S 7.43 4.61 0.00 3.99 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 23 S 8.57 4.28 0.00 4.03 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 24 N 8.05 4.72 0.00 2.82 2.87 0.00 0.00 6.44 7.09 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 25 Y 8.02 3.97 0.00 3.12 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 26 C 8.26 4.16 0.00 3.18 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 27 N 8.25 4.42 0.00 2.91 2.91 0.00 0.00 7.12 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 28 Q 8.05 3.94 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 29 M 7.90 3.70 0.00 0.74 1.18 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.42 0.00 30 M 8.25 4.00 0.00 1.69 1.93 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.42 0.00 31 K 7.67 3.96 0.00 1.90 1.89 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 32 S 7.86 4.11 0.00 3.97 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 33 R 8.06 4.18 0.00 1.98 2.16 0.00 3.63 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 34 N 7.84 4.29 0.00 2.88 2.94 0.00 0.00 6.92 7.95 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 35 L 8.00 4.41 0.00 1.77 1.62 0.78 0.30 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 36 T 7.52 5.39 4.39 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 1.38 0.00 0.00 37 K 8.46 4.18 0.00 1.78 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 38 D 7.81 4.76 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.28 3.81 0.00 1.78 1.76 0.00 2.90 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 40 C 8.73 4.78 0.00 3.11 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 41 K 8.24 4.17 0.00 1.89 1.77 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.40 7.81 42 P 0.00 4.62 0.00 2.20 2.33 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 43 V 7.59 5.19 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 0.75 0.00 0.00 0.96 0.00 0.00 44 N 8.99 4.71 0.00 2.61 2.29 0.00 0.00 6.92 6.55 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 45 T 7.93 4.79 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 0.91 0.00 0.00 46 F 8.92 4.78 0.00 3.01 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 47 V 9.09 4.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 48 H 8.60 5.23 0.00 3.14 3.43 0.00 5.64 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 49 E 7.65 4.78 0.00 1.95 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 2.26 2.28 0.00 50 S 8.37 4.38 0.00 4.07 4.02 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 51 L 8.57 3.99 0.00 1.83 1.75 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.07 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.60 4.37 0.00 2.87 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 54 V 7.67 3.81 2.19 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 1.22 0.00 0.00 1.04 0.00 0.00 55 Q 8.57 3.90 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 56 A 7.98 4.05 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 57 V 7.63 3.50 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 1.07 0.00 0.00 0.94 0.00 0.00 58 C 7.65 3.72 0.00 2.82 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 59 S 7.57 4.70 0.00 3.93 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 60 Q 7.60 4.40 0.00 1.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 61 K 7.76 4.19 0.00 1.76 1.69 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 62 N 8.79 4.37 0.00 2.76 2.64 0.00 0.00 7.00 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 63 V 8.60 4.58 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 0.65 0.00 0.00 0.86 0.00 0.00 64 A 8.37 4.28 1.19 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 0.00 0.00 65 C 9.06 4.66 0.00 3.09 3.01 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 66 K 9.07 3.82 0.00 1.72 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.38 7.81 67 N 7.99 4.54 0.00 2.82 2.91 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 69 Q 8.54 4.11 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 70 T 8.37 4.56 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 1.23 0.00 0.00 71 N 7.91 5.00 0.00 3.09 3.16 0.00 0.00 6.06 7.68 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 72 C 7.47 5.40 0.00 3.12 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 73 Y 8.94 5.11 0.00 2.71 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 74 Q 9.14 5.21 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 75 S 8.59 4.39 0.00 3.97 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 76 Y 8.97 4.45 0.00 3.09 3.01 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 77 S 7.86 4.93 0.00 3.89 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 78 T 8.04 4.25 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 79 M 9.00 5.05 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.41 4.88 0.00 3.90 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 81 I 8.96 5.21 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.99 0.00 0.00 82 T 8.79 5.06 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 1.32 0.00 0.00 83 D 9.38 4.95 0.00 2.76 2.56 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 84 C 9.11 5.60 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.83 5.31 0.00 1.98 1.80 0.00 3.19 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 86 E 9.00 4.02 0.00 2.16 1.74 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 2.01 1.84 0.00 87 T 8.44 4.44 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 88 G 8.69 3.54 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 0.00 0.00 0.00 89 S 7.44 4.42 0.00 3.89 3.88 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 90 S 7.91 4.06 0.00 3.81 3.73 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 91 K 8.82 4.36 0.00 1.78 1.59 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.39 7.81 92 Y 8.77 4.21 0.00 2.99 2.91 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 93 P 0.00 3.14 0.00 1.81 1.31 0.00 3.66 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 94 N 7.95 4.63 0.00 2.79 2.75 0.00 0.00 6.96 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 95 C 7.98 4.68 0.00 3.15 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 96 A 8.47 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.48 5.11 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.36 4.56 0.00 1.87 1.90 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 99 T 8.56 5.05 4.31 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 1.28 0.00 0.00 100 T 8.79 4.64 4.28 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 1.23 0.00 0.00 101 Q 8.80 4.81 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 102 A 8.58 4.58 1.23 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 0.00 0.00 0.00 103 N 8.68 5.34 0.00 2.55 2.74 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 0.00 104 K 8.73 4.74 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 105 H 8.82 4.85 0.00 3.10 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.57 4.90 1.80 0.00 0.00 1.00 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 0.86 1.15 0.00 0.00 107 I 8.15 4.96 1.67 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 1.13 0.73 0.82 0.00 0.00 108 V 8.61 4.75 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 0.67 0.00 0.00 0.79 0.00 0.00 109 A 8.65 5.13 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 0.00 110 C 8.63 5.13 0.00 1.97 1.61 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 0.00 111 E 8.82 4.75 0.00 1.85 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 2.29 2.26 0.00 112 G 9.96 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 0.00 113 N 8.24 5.01 0.00 2.65 2.69 0.00 0.00 6.87 7.69 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 0.00 114 P 0.00 4.28 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 115 Y 8.32 4.88 0.00 2.81 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 0.00 116 V 8.13 4.41 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 0.62 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.39 0.00 0.49 1.05 0.00 3.28 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 118 V 8.79 4.52 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 0.59 0.00 0.00 0.99 0.00 0.00 119 H 7.94 5.03 0.00 3.30 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.76 4.60 0.00 2.61 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 0.00 121 D 8.26 4.59 0.00 2.57 2.56 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 0.00 122 A 6.30 4.62 1.19 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 0.00 0.00 123 S 8.90 5.17 0.00 3.97 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 0.00 124 V 8.82 4.15 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 0.66 0.00 0.00 0.94 0.00 0.00