NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8014 8.3649 120.5484 53.1849 42.0539 174.8729 2 P 4.3155 0.0000 0.0000 62.7325 31.8858 174.0243 3 T 4.7679 8.2414 116.9220 61.1091 71.3306 174.3370 4 W 4.1835 8.8845 135.0000 57.5257 31.1722 175.2211 5 V 4.3409 8.4017 125.3137 60.6618 32.6960 174.7935 6 D 4.5132 9.0026 127.0868 55.2577 41.1977 176.8756 7 M 4.2215 8.2342 122.8378 54.7001 33.1087 176.7763 8 E 4.1403 8.3982 120.9522 56.0080 31.7759 178.2242 9 A 4.0747 8.6008 124.0477 55.3497 18.4980 180.5593 10 G 3.5317 7.9782 103.7389 48.0092 0.0000 175.5600 11 D 4.3027 7.9470 120.7914 57.0486 40.7992 178.6194 12 I 3.4752 7.6764 120.1436 64.3835 37.0368 178.3307 13 A 3.9647 8.0061 121.4220 55.0402 18.1536 179.7364 14 L 3.9328 7.7960 117.6585 57.7360 41.5806 179.8469 15 V 2.8984 7.5520 118.1112 65.7423 31.4016 178.1771 16 K 4.0161 8.1532 118.8070 59.5662 31.6708 179.5414 17 S 4.2501 8.3096 114.1052 61.4252 63.5169 176.3760 18 S 4.4496 8.5136 118.0557 60.7736 62.8865 176.1556 19 W 4.6993 9.0585 132.1739 60.5866 30.3090 177.7887 20 A 3.4140 8.0891 119.1389 54.8286 17.7876 179.1226 21 Q 4.1377 7.7674 115.2843 57.4639 29.1248 176.6428 22 I 4.4917 7.4749 111.4708 60.3184 38.8658 176.7150 23 H 3.3805 7.5015 116.2788 57.2166 28.4659 175.3990 24 D 4.7863 7.9087 118.8718 53.0946 39.6054 176.6701 25 K 4.6547 7.7756 119.3872 56.1382 33.1481 178.5237 26 E 3.8735 8.3993 120.2447 59.7066 29.5368 178.8917 27 V 3.5971 7.6958 117.4933 66.2083 31.6152 177.6725 28 D 4.5597 8.0512 118.1399 57.2721 40.7359 178.6824 29 I 2.6909 7.6822 120.7083 63.8650 37.0006 178.2509 30 L 3.6926 7.7628 121.1413 58.1104 41.8139 178.1771 31 Y 4.2151 8.5848 119.9857 60.9261 38.7259 177.7381 32 N 4.3625 8.6300 118.1896 56.4924 38.9928 176.5873 33 F 4.3719 8.1378 121.9954 61.6245 39.3258 177.2692 34 F 4.2101 7.8371 115.9733 60.1644 38.6754 177.3380 35 K 3.8233 7.9503 119.1656 59.5986 32.0208 178.7985 36 S 4.0971 7.8886 114.1648 60.0452 64.3633 174.2601 37 Y 4.6037 7.6313 118.4932 54.4139 38.1161 173.8869 38 P 4.1665 0.0000 0.0000 65.4982 31.6458 177.9579 39 A 3.9958 7.9229 118.1508 54.9568 18.5709 179.3970 40 S 4.2371 8.0882 114.2184 61.7278 62.9024 176.3697 41 Q 3.0276 7.7768 121.5387 58.7452 28.3773 177.8761 42 A 4.1595 7.4692 120.2532 53.9807 18.4455 178.8106 43 K 4.1370 7.9577 115.8732 56.5752 32.7861 176.8683 44 F 4.4414 7.9516 119.6332 56.1194 39.9591 176.9400 45 S 4.0199 8.7733 121.7055 61.5740 62.7904 175.5854 46 A 4.0580 7.5274 120.9263 53.3819 18.7443 177.6185 47 F 5.0764 7.5054 112.2445 57.2887 41.4819 175.3477 48 A 4.3120 8.1793 124.6146 53.4822 18.3718 178.0958 49 G 3.9544 8.8460 110.3449 45.4654 0.0000 173.6623 50 K 4.4139 7.6590 118.8174 55.0224 33.6986 176.4914 51 D 4.4604 8.3746 120.9909 53.9157 42.2933 177.1888 52 L 3.9030 8.5090 128.2103 58.3102 41.9689 178.8640 53 E 4.0449 8.1183 117.4689 59.1959 29.3868 179.0534 54 S 4.2953 7.7885 114.3099 61.2445 63.4783 176.0747 55 L 4.0611 7.7069 121.8506 56.3536 41.4300 177.6781 56 K 3.5925 6.6010 119.0676 57.7895 32.4514 176.1826 57 D 4.6529 8.9062 123.8293 55.3659 38.4113 174.2837 58 T 4.6461 7.5262 109.9780 60.0484 72.1058 175.4801 59 A 4.0865 8.4625 124.3427 55.0453 18.6167 178.3536 60 P 4.4312 0.0000 0.0000 65.6645 31.4099 178.6445 61 F 4.1708 8.2387 118.8540 61.4074 39.3308 177.1311 62 A 4.0214 8.3507 120.4603 54.8493 18.0932 179.2856 63 L 3.9206 8.5259 119.3843 58.7723 42.2452 178.8369 64 H 4.1893 8.4014 117.7735 59.0851 29.8400 176.8642 65 A 3.8258 7.9197 122.6502 55.6105 18.0629 179.8053 66 T 3.8580 8.2610 114.4479 66.6870 68.1058 177.1204 67 R 3.9319 8.1281 120.0440 59.3356 30.1355 179.1588 68 I 3.7188 7.7282 119.4069 64.5543 37.1807 178.8158 69 V 3.9312 7.9234 119.0141 65.7753 31.3090 177.8528 70 S 4.1471 8.4244 113.5522 61.4703 62.1091 176.4950 71 V 3.5929 7.5730 120.3110 65.9678 31.2312 178.0125 72 I 3.4886 7.8046 119.5556 64.3441 36.8798 177.9086 73 N 4.5557 8.8459 117.5992 56.5839 38.4614 177.0256 74 E 3.9086 8.2138 120.1201 59.2025 29.5364 178.6122 75 A 3.9193 7.9323 119.8129 55.3637 18.7961 179.4318 76 I 3.5874 7.9704 118.4218 64.2299 36.8519 178.4590 77 A 4.0441 7.9574 121.0118 55.0756 18.2922 179.1005 78 L 4.1324 7.6001 115.2991 55.7297 42.2154 177.6295 79 M 4.1415 6.9999 119.0711 56.2939 32.3835 176.8160 80 G 3.9552 9.3719 109.9396 45.0373 0.0000 173.5257 81 V 4.2959 7.4038 118.9341 60.0572 34.3607 175.6247 82 A 4.0170 8.8276 129.5401 55.2433 18.1138 178.9195 83 E 4.0502 8.1196 113.7338 58.4793 30.0629 177.7476 84 N 4.6740 7.9959 116.7975 53.4956 39.0029 176.7266 85 R 3.8465 7.8457 121.7043 58.9415 30.2138 176.4062 86 P 4.1320 0.0000 0.0000 65.5354 31.3747 178.3817 87 A 3.9694 7.8832 118.9889 54.9730 18.3772 179.2524 88 L 3.8801 8.2696 119.2168 58.3941 42.1957 179.4390 89 K 4.0251 8.3947 118.7507 59.4540 31.8962 179.1680 90 N 4.3825 8.2782 117.0122 55.9721 38.4892 177.5480 91 V 3.5862 7.8341 119.7460 66.0450 31.6462 178.1427 92 L 3.9601 7.9638 118.5486 57.7465 41.4268 179.6775 93 K 3.9769 8.4355 118.8652 59.5344 31.9104 179.1770 94 Q 4.0149 8.2076 119.7878 59.3347 28.9337 178.4109 95 Q 4.2007 8.2248 119.1675 58.7022 28.7079 178.9599 96 G 3.6233 8.2027 106.8597 47.8559 0.0000 175.7316 97 I 3.7620 8.1382 123.1354 64.2708 36.9346 178.3467 98 N 4.4666 8.2944 116.1813 56.6671 38.6983 176.9440 99 H 4.4147 8.6133 117.2486 57.9415 28.9842 177.5686 100 K 4.0702 8.3654 122.2808 59.5408 31.8216 178.7494 101 G 3.7950 7.6769 102.6666 46.5127 0.0000 174.6606 102 R 4.5180 7.6515 118.5919 54.9490 30.6053 176.2066 103 G 3.8687 7.7843 106.2733 46.4152 0.0000 173.9250 104 V 4.0277 7.8698 119.2841 61.9431 32.5761 176.2720 105 T 4.4005 8.2067 117.2874 60.0580 72.0124 175.5630 106 A 3.2807 8.0325 122.2019 55.1049 18.0040 179.6602 107 A 3.8648 7.6528 118.5915 55.5240 18.4206 179.3127 108 H 4.5772 7.9203 116.0155 58.6234 28.7299 177.9968 109 F 4.1902 8.1296 119.3045 60.6766 38.6975 177.6003 110 E 4.1750 8.3313 119.5411 58.8554 29.0542 179.2743 111 E 3.6719 8.3552 119.1072 59.1019 29.2844 179.1033 112 F 3.6343 8.1741 120.7571 60.9546 39.3301 176.6532 113 E 3.4560 8.4091 119.0075 59.5217 29.3165 178.8217 114 T 4.1125 8.4185 117.0835 66.0661 68.5757 176.4229 115 A 4.0557 8.3084 122.6518 55.1062 18.4579 179.4180 116 L 3.7763 7.8197 119.0488 58.1636 41.5693 178.9742 117 E 3.8204 8.4660 118.7470 59.4064 29.4487 179.2400 118 A 3.9195 7.9278 120.7109 54.9983 18.4304 179.5098 119 F 3.9371 8.2248 119.1855 61.3784 39.4122 177.4281 120 L 3.9621 8.3536 119.1064 57.6809 41.1410 179.0736 121 E 2.8172 7.5083 118.6190 58.9902 29.5042 178.8207 122 S 4.0263 7.6504 114.3084 60.8965 62.9189 174.7889 123 H 4.4630 7.6435 115.7920 55.4557 31.0134 173.9435 124 A 4.5034 8.2038 124.0110 50.5118 18.2717 176.8684 125 S 4.2746 8.9245 118.5860 60.6285 63.2509 175.2797 126 G 3.9179 8.9635 111.0727 45.5844 0.0000 172.7825 127 Y 4.0643 7.6420 120.6042 57.9642 39.3814 175.3427 128 N 4.8734 8.2292 122.3548 50.8727 40.3146 174.4436 129 A 4.0914 8.7179 118.5191 55.5016 18.1576 180.1280 130 G 3.4672 8.1745 104.5109 48.1145 0.0000 176.1193 131 T 3.8344 7.8205 117.6915 66.2387 68.4116 176.4157 132 K 4.0975 7.7440 121.4425 59.4181 32.2287 178.6545 133 K 3.9154 8.3771 119.9495 59.3799 32.0714 178.6005 134 A 3.8712 8.2036 121.0357 55.1285 18.3429 179.7114 135 W 4.0946 8.4274 117.4238 59.9143 29.0101 178.4720 136 D 4.5751 8.6362 119.1547 57.6559 40.4101 179.0934 137 S 3.9822 8.1390 115.4035 61.2582 62.6858 176.6138 138 A 3.5653 7.7699 123.4610 55.1032 18.0811 179.6925 139 F 3.4757 8.3465 116.7085 60.2871 38.8781 177.1532 140 N 4.1061 8.1557 116.9290 56.9800 38.4579 176.6608 141 N 3.8197 7.4225 117.0473 56.0235 38.3276 176.9076 142 M 3.8161 7.6478 119.8592 59.1210 31.7390 177.9725 143 Y 3.7464 7.7076 117.1620 60.7877 37.5777 178.7737 144 S 4.3936 7.7396 115.8622 60.3042 63.0102 175.8963 145 V 4.0865 7.1537 119.9913 64.4343 32.2945 177.7191 146 V 3.7476 8.1003 118.4417 65.8735 31.4560 177.8900 147 F 4.4478 8.4072 117.8339 60.4382 38.6029 175.8741 148 P 4.4414 0.0000 0.0000 64.6635 31.2418 177.3944 149 E 4.3874 8.0861 115.8347 56.6475 29.8898 176.1281 150 L 4.3027 7.8245 124.3153 54.8643 41.8587 176.3482 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 D 8.36 4.80 0.00 2.80 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 2 P 0.00 4.32 0.00 2.34 2.00 0.00 3.57 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 3 T 8.24 4.77 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 1.27 0.00 0.00 4 W 8.88 4.18 0.00 3.37 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 5 V 8.40 4.34 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 0.83 0.00 0.00 0.99 0.00 0.00 6 D 9.00 4.51 0.00 2.77 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 7 M 8.23 4.22 0.00 1.86 1.84 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 2.27 2.33 0.00 8 E 8.40 4.14 0.00 1.96 1.83 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 2.37 2.34 0.00 9 A 8.60 4.07 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 10 G 7.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.95 4.30 0.00 2.78 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 12 I 7.68 3.48 1.95 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 1.30 0.73 0.81 0.00 0.00 13 A 8.01 3.96 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 14 L 7.80 3.93 0.00 1.80 1.71 0.88 0.75 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 15 V 7.55 2.90 1.66 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 -0.17 0.00 0.00 0.04 0.00 0.00 16 K 8.15 4.02 0.00 1.81 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.51 7.81 17 S 8.31 4.25 0.00 4.05 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 18 S 8.51 4.45 0.00 4.47 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 9.06 4.70 0.00 3.82 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 20 A 8.09 3.41 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 21 Q 7.77 4.14 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 22 I 7.47 4.49 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.57 1.01 0.00 0.00 23 H 7.50 3.38 0.00 2.74 1.43 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.91 4.79 0.00 2.77 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 25 K 7.78 4.65 0.00 2.02 1.93 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.36 7.81 26 E 8.40 3.87 0.00 2.02 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 2.41 2.53 0.00 27 V 7.70 3.60 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 1.26 0.00 0.00 1.02 0.00 0.00 28 D 8.05 4.56 0.00 2.99 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 29 I 7.68 2.69 1.80 0.00 0.00 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 0.58 0.28 0.74 0.00 0.00 30 L 7.76 3.69 0.00 1.39 1.26 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.58 4.22 0.00 3.25 3.22 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 32 N 8.63 4.36 0.00 3.16 2.90 0.00 0.00 6.88 8.22 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 33 F 8.14 4.37 0.00 2.84 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 F 7.84 4.21 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 35 K 7.95 3.82 0.00 1.05 1.69 0.00 1.50 0.00 0.00 1.41 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.38 7.81 36 S 7.89 4.10 0.00 4.04 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.63 4.60 0.00 2.78 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 38 P 0.00 4.17 0.00 2.07 2.01 0.00 3.48 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 39 A 7.92 4.00 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 40 S 8.09 4.24 0.00 3.79 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 41 Q 7.78 3.03 0.00 0.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.11 1.36 0.00 42 A 7.47 4.16 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 43 K 7.96 4.14 0.00 1.74 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.42 1.71 7.81 44 F 7.95 4.44 0.00 3.34 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 45 S 8.77 4.02 0.00 3.79 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 46 A 7.53 4.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.51 5.08 0.00 2.99 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 48 A 8.18 4.31 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 49 G 8.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.66 4.41 0.00 1.95 1.80 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 51 D 8.37 4.46 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.51 3.90 0.00 1.70 1.58 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.12 4.04 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 54 S 7.79 4.30 0.00 3.99 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 55 L 7.71 4.06 0.00 1.48 1.27 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 K 6.60 3.59 0.00 1.41 1.51 0.00 1.58 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.30 7.81 57 D 8.91 4.65 0.00 2.86 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 58 T 7.53 4.65 4.34 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 1.34 0.00 0.00 59 A 8.46 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.43 0.00 2.47 2.24 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 61 F 8.24 4.17 0.00 3.34 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.35 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.53 3.92 0.00 1.87 2.03 0.97 0.98 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 64 H 8.40 4.19 0.00 3.72 3.49 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 65 A 7.92 3.83 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 66 T 8.26 3.86 4.43 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 1.23 0.00 0.00 67 R 8.13 3.93 0.00 1.97 1.99 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 68 I 7.73 3.72 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 1.43 0.84 0.94 0.00 0.00 69 V 7.92 3.93 2.27 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 1.02 0.00 0.00 1.17 0.00 0.00 70 S 8.42 4.15 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.57 3.59 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 1.06 0.00 0.00 0.99 0.00 0.00 72 I 7.80 3.49 1.79 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 1.38 0.67 -0.24 0.00 0.00 73 N 8.85 4.56 0.00 3.08 3.04 0.00 0.00 6.71 7.54 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 74 E 8.21 3.91 0.00 2.07 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 2.33 0.00 75 A 7.93 3.92 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 76 I 7.97 3.59 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.78 0.00 0.00 77 A 7.96 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.60 4.13 0.00 1.77 1.72 0.90 0.98 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 79 M 7.00 4.14 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.34 0.00 80 G 9.37 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 81 V 7.40 4.30 2.07 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 1.05 0.00 0.00 0.92 0.00 0.00 82 A 8.83 4.02 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 83 E 8.12 4.05 0.00 2.11 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 0.00 2.26 2.33 0.00 84 N 8.00 4.67 0.00 2.96 2.93 0.00 0.00 6.47 7.74 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 85 R 7.85 3.85 0.00 1.92 1.81 0.00 2.62 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 86 P 0.00 4.13 0.00 2.15 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 87 A 7.88 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.27 3.88 0.00 1.74 1.92 0.94 0.57 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 89 K 8.39 4.03 0.00 1.74 1.74 0.00 1.34 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 90 N 8.28 4.38 0.00 2.86 2.84 0.00 0.00 6.56 6.98 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 91 V 7.83 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 1.01 0.00 0.00 0.96 0.00 0.00 92 L 7.96 3.96 0.00 1.89 1.68 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.44 3.98 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 94 Q 8.21 4.01 0.00 2.28 2.23 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 2.37 2.47 0.00 95 Q 8.22 4.20 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 96 G 8.20 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 0.00 0.00 0.00 97 I 8.14 3.76 2.03 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 1.54 0.92 0.93 0.00 0.00 98 N 8.29 4.47 0.00 2.69 2.84 0.00 0.00 7.15 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.61 4.41 0.00 3.63 3.56 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.37 4.07 0.00 2.16 1.99 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.72 7.81 101 G 7.68 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.65 4.52 0.00 1.89 1.84 0.00 3.09 0.00 0.00 3.05 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 103 G 7.78 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 0.00 0.00 0.00 104 V 7.87 4.03 2.28 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 0.55 0.00 0.00 0.91 0.00 0.00 105 T 8.21 4.40 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 1.08 0.00 0.00 106 A 8.03 3.28 -0.06 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 0.00 0.00 107 A 7.65 3.86 1.21 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 0.00 0.00 0.00 108 H 7.92 4.58 0.00 3.24 3.24 0.00 5.64 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 0.00 109 F 8.13 4.19 0.00 3.39 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.33 4.17 0.00 2.19 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 2.35 0.00 111 E 8.36 3.67 0.00 1.87 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 1.89 2.30 0.00 112 F 8.17 3.63 0.00 2.70 3.13 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 0.00 0.00 0.00 113 E 8.41 3.46 0.00 1.16 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 1.99 1.47 0.00 114 T 8.42 4.11 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 115 A 8.31 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.82 3.78 0.00 1.46 1.65 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.47 3.82 0.00 2.16 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 2.38 2.45 0.00 118 A 7.93 3.92 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 0.00 119 F 8.22 3.94 0.00 3.23 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 0.00 120 L 8.35 3.96 0.00 1.58 1.69 -0.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.51 2.82 0.00 1.25 1.75 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 2.12 2.12 0.00 122 S 7.65 4.03 0.00 3.50 3.37 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 0.00 123 H 7.64 4.46 0.00 2.75 3.09 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.20 4.50 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 4.27 0.00 3.99 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 0.00 126 G 8.96 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 0.00 127 Y 7.64 4.06 0.00 3.18 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 0.00 128 N 8.23 4.87 0.00 2.92 2.89 0.00 0.00 6.57 6.61 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 0.00 129 A 8.72 4.09 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 0.00 130 G 8.17 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 3.83 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 1.36 0.00 0.00 132 K 7.74 4.10 0.00 1.89 1.98 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.64 7.81 133 K 8.38 3.92 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 134 A 8.20 3.87 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 0.00 135 W 8.43 4.09 0.00 3.57 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 0.00 136 D 8.64 4.58 0.00 3.00 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 0.00 137 S 8.14 3.98 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.77 3.57 0.91 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 0.00 0.00 139 F 8.35 3.48 0.00 3.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.16 4.11 0.00 2.73 2.85 0.00 0.00 7.24 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 0.00 141 N 7.42 3.82 0.00 2.03 1.42 0.00 0.00 6.70 6.94 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 0.00 142 M 7.65 3.82 0.00 1.75 1.74 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 143 Y 7.71 3.75 0.00 2.61 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 0.00 144 S 7.74 4.39 0.00 4.25 4.17 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 0.00 145 V 7.15 4.09 2.17 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 0.85 0.00 0.00 1.05 0.00 0.00 146 V 8.10 3.75 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 0.56 0.00 0.00 0.85 0.00 0.00 147 F 8.41 4.45 0.00 3.16 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 0.00 148 P 0.00 4.44 0.00 2.06 2.16 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 149 E 8.09 4.39 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 150 L 7.82 4.30 0.00 1.73 1.61 1.05 0.97 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