NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2372 8.3144 121.7899 55.7734 32.5392 175.0984 2 E 3.9271 8.5631 128.0864 53.9890 30.4133 175.7619 3 S 4.3823 8.8521 122.3943 57.8962 66.2899 174.6954 4 A 3.9965 8.5850 125.0351 55.5045 18.2833 179.9904 5 A 3.9789 8.0505 118.4446 55.3782 18.5104 179.6107 6 A 4.0140 8.0369 119.0788 55.0830 18.4674 179.7568 7 K 4.0455 8.5477 118.7190 59.6122 32.1681 178.8683 8 F 4.1425 8.4998 121.0558 61.1919 39.3108 177.0532 9 E 3.9350 8.2548 117.8349 59.3987 29.0815 179.2909 10 R 3.8285 7.8154 117.4308 59.5607 30.2467 178.1914 11 Q 4.0581 7.8348 116.3566 57.6913 28.9573 176.3206 12 H 4.6488 7.8582 113.3518 54.9904 30.5881 173.0033 13 M 4.5337 7.8286 120.0381 53.7112 33.8648 176.3815 14 D 4.7391 8.1490 122.5684 53.0134 41.5429 175.0044 15 S 4.2184 7.8883 116.7201 59.4728 64.3428 174.9351 16 G 3.9597 8.6017 111.1961 45.7614 0.0000 173.8969 17 N 4.6974 7.8218 115.3243 52.2730 40.5321 173.1139 18 S 4.6398 8.5742 120.9204 56.3996 64.4958 173.5377 19 P 4.4714 0.0000 0.0000 64.9559 31.7842 177.3977 20 S 4.5465 7.1325 114.2403 56.2681 61.8179 173.7012 21 S 4.4843 7.3467 116.9303 56.7744 64.8903 174.5130 22 S 4.3422 8.7900 124.7120 61.0975 62.5517 176.3963 23 S 4.2961 8.0120 115.6356 60.6649 63.3138 175.0791 24 N 4.5438 7.8999 119.4301 54.9757 38.7275 175.5315 25 Y 4.0707 7.6404 120.5491 61.8708 38.7909 177.3876 26 C 4.1152 8.5179 116.7850 60.1594 35.2563 175.9280 27 N 4.4845 8.2561 117.2522 56.5720 38.1698 177.3408 28 L 3.9328 7.6684 119.5964 57.9947 41.6450 179.4997 29 M 3.6327 7.9072 118.9861 58.5424 31.6771 178.7492 30 M 4.0503 8.3348 119.1380 58.3055 32.1101 178.5287 31 C 4.1540 7.7832 120.1711 62.1590 31.6615 175.0435 32 C 4.0009 8.3814 119.6182 62.4914 31.1805 174.2858 33 R 4.3700 8.2228 116.5259 55.6500 29.4225 176.2458 34 K 3.8941 7.7328 115.3989 58.3412 30.1230 176.0191 35 M 4.6439 8.3255 115.5009 55.3840 31.9407 177.1297 36 T 5.1179 7.6899 107.2606 60.2714 69.6243 172.5782 37 Q 4.7986 8.4348 120.6513 56.3028 30.4980 174.1848 38 G 4.2217 10.4899 113.6896 44.9274 0.0000 173.0355 39 K 2.9823 6.6695 115.9070 55.6493 34.4582 174.1644 40 C 4.8357 8.6037 117.4058 55.9797 40.7522 173.7293 41 K 4.2172 8.5289 126.4514 55.6758 32.4201 174.2502 42 P 4.7495 0.0000 0.0000 65.4633 31.8368 176.2157 43 V 4.9729 7.4590 116.2557 61.4259 35.0886 173.6929 44 N 4.4648 8.7375 122.1196 53.0001 42.8263 173.0226 45 T 4.6998 7.8352 122.3661 61.7528 70.8026 173.6808 46 F 4.6840 8.8875 124.3749 55.6175 41.8553 174.5012 47 V 4.4544 8.4248 123.0960 61.8250 32.5808 175.0114 48 H 4.8588 9.0327 124.4044 56.1491 29.4744 175.3063 49 E 4.2986 8.1106 118.3524 55.3129 30.4859 176.9560 50 S 4.3733 8.2693 114.8300 58.1684 64.9917 174.8634 51 L 3.9460 8.4951 124.3306 58.2936 41.9512 179.0514 52 A 3.9801 8.0127 120.1764 55.5481 18.1243 179.2643 53 D 4.3434 7.7246 115.5744 57.3032 41.0957 178.9587 54 V 3.7799 7.7028 118.5396 65.8856 31.7181 178.2770 55 K 3.9687 8.3769 118.2642 59.3620 31.8315 179.0834 56 A 4.0572 8.0069 120.5219 54.5532 18.2396 179.6798 57 V 3.5593 7.6882 117.1705 66.0643 31.3217 177.0222 58 C 3.8983 7.8485 114.6104 58.0735 39.9019 174.2132 59 S 4.5798 7.5364 114.2438 57.8707 63.6885 174.8756 60 Q 4.5313 7.4051 121.1397 55.7144 28.1959 176.7545 61 K 4.0885 8.3159 127.5356 57.3061 33.1118 176.6669 62 K 4.0804 8.6943 130.2596 56.6563 32.4209 176.1702 63 V 4.5512 8.5836 119.9410 59.8022 36.6567 174.7665 64 T 4.3327 8.2213 118.1428 62.9125 69.5258 176.1075 65 C 4.7273 8.7111 123.0284 56.3007 41.0346 175.1494 66 K 3.8163 8.7660 121.4900 59.5305 31.6304 178.0810 67 N 4.6134 8.1072 113.7284 52.6875 37.3579 175.8539 68 G 3.9742 8.0232 108.7557 45.8017 0.0000 174.5708 69 Q 4.1632 8.3932 119.1569 56.4090 29.1725 176.6558 70 T 4.5654 8.3107 108.8059 61.6431 69.3253 173.9237 71 N 4.8929 7.8648 118.9993 53.6766 38.7137 174.8055 72 C 5.3700 7.4142 116.3103 56.8236 44.0983 172.6990 73 Y 5.1641 8.9538 119.2495 56.2574 42.1746 174.0061 74 Q 5.1755 9.1495 124.5185 54.0145 31.6853 174.9844 75 S 4.7760 8.6222 121.5066 58.1727 63.2546 174.7979 76 K 4.1206 9.4121 122.5633 59.1002 32.6446 176.9533 77 S 4.8409 7.6638 113.3531 56.0201 66.1179 173.2964 78 T 4.1377 8.0187 111.5259 62.1117 69.6538 173.7549 79 M 5.0207 8.7118 121.6884 53.5407 36.8639 174.9109 80 R 4.7835 9.5165 121.3717 55.8680 31.3515 175.8600 81 I 5.0169 8.7293 116.9965 59.4469 42.1446 174.1064 82 T 4.9812 9.1477 119.1454 61.8442 71.5852 172.7191 83 D 4.9424 9.0192 126.9993 53.2879 43.0649 174.1991 84 C 5.5805 8.8422 123.6110 55.3388 39.9071 173.2969 85 R 5.4468 8.7587 122.1611 54.0863 34.1348 174.7335 86 E 4.2932 8.8392 123.1223 57.1416 30.0927 177.4672 87 T 4.3414 8.4841 113.9261 60.2969 70.6322 176.1461 88 G 3.5446 8.5228 110.2825 48.7291 0.0000 174.9506 89 S 4.3391 7.8942 111.1149 58.4387 63.1809 173.8602 90 S 4.1291 7.3625 116.9540 58.1430 62.7166 173.4463 91 K 4.4475 8.6177 128.1507 54.6985 34.7266 174.6287 92 Y 4.3844 8.7434 127.9293 57.6395 39.1304 173.6492 93 P 3.6266 0.0000 0.0000 62.7302 32.2657 176.9388 94 N 4.6315 8.1632 119.8826 52.3641 36.9435 173.7123 95 C 4.5498 7.8506 116.2819 56.6913 42.9125 173.4506 96 A 4.9542 8.4497 125.3234 50.3155 21.6430 174.4866 97 Y 5.1903 9.6934 119.8428 55.9972 41.5690 175.0072 98 K 4.5970 9.3011 123.7208 55.4081 34.4040 175.0591 99 T 4.9656 8.5740 123.6768 62.3913 70.3979 174.0342 100 T 4.6148 8.6495 122.8015 61.7590 72.0819 173.1140 101 Q 4.5893 8.7846 126.1695 55.5434 29.6955 175.8133 102 V 4.5764 8.7078 116.3714 59.7584 36.8574 174.6927 103 E 5.2804 8.6796 120.5723 53.6686 31.4932 175.0747 104 K 4.7511 8.1816 122.7010 54.6417 37.7751 175.1363 105 H 4.9335 9.2337 119.1042 55.8201 30.0060 175.0713 106 I 4.7959 8.4580 115.6726 59.3794 40.6523 174.3806 107 I 4.9606 8.3362 124.2713 59.6986 40.0645 175.1219 108 V 4.7537 8.6863 119.1763 59.3802 36.0535 174.3150 109 A 5.1539 8.7950 124.5456 50.9590 20.9076 175.6183 110 C 5.4931 8.9700 118.8196 55.5692 43.9116 173.4982 111 G 3.9648 9.1286 108.1138 46.3503 0.0000 173.3096 112 G 4.3693 9.2382 104.8786 45.2758 0.0000 172.8897 113 K 4.5940 8.0047 116.6382 53.6052 34.1932 175.0968 114 P 4.3129 0.0000 0.0000 62.1179 31.8915 176.5268 115 S 4.6721 8.3409 115.5237 58.1912 62.6549 173.5240 116 V 4.6081 8.6620 120.4320 58.4486 35.8221 173.4898 117 P 4.8820 0.0000 0.0000 63.1051 31.4005 176.8245 118 V 4.4962 8.5982 116.1213 60.9106 33.5992 175.0821 119 H 4.6437 7.8755 117.9538 55.2594 33.1693 171.9131 120 F 4.5167 8.8317 127.9126 57.4377 39.8265 174.1927 121 D 4.5832 8.2061 126.4658 55.3209 42.0031 175.8497 122 A 4.6270 6.5521 117.1842 51.4277 22.4549 174.5067 123 S 5.2912 8.9140 113.8172 56.5214 65.7957 174.5983 124 V 4.1413 9.0364 121.9928 62.0322 31.5492 175.0424 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 4.24 0.00 1.72 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 2 E 8.56 3.93 0.00 2.06 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 2.31 2.37 0.00 3 S 8.85 4.38 0.00 4.10 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 4 A 8.58 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 8.05 3.98 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 6 A 8.04 4.01 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 7 K 8.55 4.05 0.00 1.92 2.05 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 8 F 8.50 4.14 0.00 3.17 3.23 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 9 E 8.25 3.93 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 10 R 7.82 3.83 0.00 1.79 2.15 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 7.83 4.06 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 12 H 7.86 4.65 0.00 2.01 2.85 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 13 M 7.83 4.53 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 14 D 8.15 4.74 0.00 2.51 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 15 S 7.89 4.22 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 16 G 8.60 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 17 N 7.82 4.70 0.00 2.66 2.87 0.00 0.00 7.23 7.63 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 18 S 8.57 4.64 0.00 4.04 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 19 P 0.00 4.47 0.00 2.06 2.15 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 S 7.13 4.55 0.00 4.01 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 21 S 7.35 4.48 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.79 4.34 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.01 4.30 0.00 4.06 4.03 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 24 N 7.90 4.54 0.00 2.94 2.86 0.00 0.00 6.60 7.44 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 25 Y 7.64 4.07 0.00 3.09 2.97 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 26 C 8.52 4.12 0.00 3.18 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 27 N 8.26 4.48 0.00 2.94 2.94 0.00 0.00 7.11 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 28 L 7.67 3.93 0.00 1.55 1.59 0.88 0.72 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 29 M 7.91 3.63 0.00 0.75 1.15 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.64 0.00 30 M 8.33 4.05 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.41 0.00 31 C 7.78 4.15 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.38 4.00 0.00 2.86 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 33 R 8.22 4.37 0.00 2.01 2.01 0.00 3.58 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 34 K 7.73 3.89 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.54 7.81 35 M 8.33 4.64 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 36 T 7.69 5.12 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 1.50 0.00 0.00 37 Q 8.43 4.80 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 38 G 10.49 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 0.00 0.00 0.00 0.00 39 K 6.67 2.98 0.00 1.59 1.44 0.00 1.42 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.22 7.81 40 C 8.60 4.84 0.00 3.12 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 41 K 8.53 4.22 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.42 7.81 42 P 0.00 4.75 0.00 2.15 2.14 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 2.14 2.13 0.00 43 V 7.46 4.97 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 0.78 0.00 0.00 0.97 0.00 0.00 44 N 8.74 4.46 0.00 2.64 2.23 0.00 0.00 7.09 6.68 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 45 T 7.84 4.70 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 0.86 0.00 0.00 46 F 8.89 4.68 0.00 3.04 2.97 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 47 V 8.42 4.45 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 0.85 0.00 0.00 1.01 0.00 0.00 48 H 9.03 4.86 0.00 3.15 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.11 4.30 0.00 1.99 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 2.34 2.26 0.00 50 S 8.27 4.37 0.00 4.06 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 51 L 8.50 3.95 0.00 1.79 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.01 3.98 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 53 D 7.72 4.34 0.00 2.79 2.76 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 54 V 7.70 3.78 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 55 K 8.38 3.97 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.59 7.81 56 A 8.01 4.06 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 7.69 3.56 2.18 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 1.08 0.00 0.00 1.00 0.00 0.00 58 C 7.85 3.90 0.00 2.94 2.76 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 59 S 7.54 4.58 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.41 4.53 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 61 K 8.32 4.09 0.00 1.99 1.90 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 62 K 8.69 4.08 0.00 1.79 1.61 0.00 1.57 0.00 0.00 1.28 0.00 0.00 3.04 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.38 7.81 63 V 8.58 4.55 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 0.75 0.00 0.00 0.82 0.00 0.00 64 T 8.22 4.33 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 1.25 0.00 0.00 65 C 8.71 4.73 0.00 3.11 2.99 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 66 K 8.77 3.82 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.37 7.81 67 N 8.11 4.61 0.00 2.79 2.89 0.00 0.00 6.19 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 8.02 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 0.00 0.00 0.00 69 Q 8.39 4.16 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 70 T 8.31 4.57 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 1.17 0.00 0.00 71 N 7.86 4.89 0.00 3.01 3.08 0.00 0.00 6.10 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 7.41 5.37 0.00 2.77 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 73 Y 8.95 5.16 0.00 2.90 2.92 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 74 Q 9.15 5.18 0.00 2.02 1.91 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 2.24 2.25 0.00 75 S 8.62 4.78 0.00 3.97 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 76 K 9.41 4.12 0.00 1.89 2.01 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.43 7.81 77 S 7.66 4.84 0.00 3.84 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 8.02 4.14 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 1.06 0.00 0.00 79 M 8.71 5.02 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 80 R 9.52 4.78 0.00 1.75 1.91 0.00 3.07 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 81 I 8.73 5.02 1.93 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 1.38 0.80 1.02 0.00 0.00 82 T 9.15 4.98 4.50 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 1.40 0.00 0.00 83 D 9.02 4.94 0.00 2.74 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 8.84 5.58 0.00 2.97 2.83 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 85 R 8.76 5.45 0.00 1.73 1.82 0.00 3.24 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 86 E 8.84 4.29 0.00 1.86 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 1.91 2.42 0.00 87 T 8.48 4.34 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 88 G 8.52 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 7.89 4.34 0.00 3.97 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 S 7.36 4.13 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.62 4.45 0.00 1.76 1.57 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.51 7.81 92 Y 8.74 4.38 0.00 2.93 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 93 P 0.00 3.63 0.00 1.78 1.00 0.00 3.59 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 94 N 8.16 4.63 0.00 2.85 2.76 0.00 0.00 7.03 7.56 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 95 C 7.85 4.55 0.00 3.06 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 96 A 8.45 4.95 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.69 5.19 0.00 2.85 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 98 K 9.30 4.60 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.58 7.81 99 T 8.57 4.97 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 1.30 0.00 0.00 100 T 8.65 4.61 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 8.78 4.59 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 102 V 8.71 4.58 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 0.96 0.00 0.00 103 E 8.68 5.28 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 104 K 8.18 4.75 0.00 1.69 1.87 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 H 9.23 4.93 0.00 3.16 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.46 4.80 1.72 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 1.26 0.80 1.12 0.00 0.00 107 I 8.34 4.96 1.75 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 1.15 0.69 0.85 0.00 0.00 108 V 8.69 4.75 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 0.63 0.00 0.00 0.96 0.00 0.00 109 A 8.80 5.15 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 0.00 110 C 8.97 5.49 0.00 2.97 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 0.00 111 G 9.13 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 0.00 112 G 9.24 4.37 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 0.00 113 K 8.00 4.59 0.00 1.69 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.37 7.81 114 P 0.00 4.31 0.00 2.02 1.96 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 115 S 8.34 4.67 0.00 3.84 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 0.00 116 V 8.66 4.61 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 0.70 0.00 0.00 1.00 0.00 0.00 117 P 0.00 4.88 0.00 1.97 2.02 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 118 V 8.60 4.50 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 0.70 0.00 0.00 1.02 0.00 0.00 119 H 7.88 4.64 0.00 3.21 3.10 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 8.83 4.52 0.00 3.02 2.82 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 0.00 0.00 0.00 121 D 8.21 4.58 0.00 2.51 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 0.00 122 A 6.55 4.63 1.17 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 0.00 0.00 123 S 8.91 5.29 0.00 3.96 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 0.00 124 V 9.04 4.14 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 0.79 0.00 0.00 0.93 0.00 0.00