NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3075 8.2876 121.4726 55.6670 30.5743 175.2367 3 S 4.3108 8.3928 122.0474 57.8894 65.1302 173.7494 4 R 4.2035 9.0114 123.8105 59.0933 30.0489 180.5190 5 A 4.2238 7.9445 120.6361 55.1680 18.4430 179.6652 6 K 4.0306 7.8339 117.2305 59.3323 32.1233 179.4923 7 K 4.1273 8.5924 121.8464 58.8509 32.0619 178.6150 8 F 4.0518 8.4748 120.9873 61.2452 39.3147 177.1695 9 Q 4.0784 8.0435 117.7886 59.0542 28.3600 178.6164 10 R 3.8782 8.0664 118.6284 59.4696 30.1843 177.9204 11 Q 4.0807 7.8083 115.6241 57.0201 29.3461 176.1709 12 H 4.7042 7.7813 113.7409 53.7072 30.9421 172.6926 13 M 4.7384 7.8298 119.7121 53.9545 33.4528 176.3661 14 D 4.8529 8.9170 123.6730 52.6489 41.5211 175.6703 15 S 4.3121 8.1845 120.1994 61.9808 63.5156 176.8288 16 D 4.4582 7.9663 116.7512 55.6347 41.0757 176.7986 17 S 4.4347 7.2569 116.0316 57.3667 63.6915 174.1368 18 S 4.1321 8.3159 118.0491 57.7109 62.7563 172.4600 19 P 4.1349 0.0000 0.0000 65.7931 31.6785 177.6941 20 S 4.4223 7.3382 114.9054 56.6657 61.2417 174.3153 21 S 3.8547 7.4466 116.7499 58.7674 63.7001 175.4297 22 S 4.5277 8.4024 119.1485 57.1724 64.0101 175.1603 23 S 4.2339 8.6132 115.1908 60.8803 62.6672 175.0746 24 T 4.4180 7.5266 108.7520 61.6420 69.4924 175.7041 25 Y 3.9911 8.1900 124.5964 61.4857 38.6531 177.5061 26 C 4.1857 8.3194 116.9920 59.9979 38.5340 175.8008 27 N 4.3730 8.1955 117.6800 56.3820 38.0643 176.8878 28 Q 3.9387 7.7644 120.7923 59.5689 29.1808 178.2582 29 M 3.6789 7.8326 119.7953 58.4166 31.8822 178.7376 30 M 4.0173 8.0808 119.1938 58.2887 31.9809 179.1477 31 R 3.9856 7.4271 118.1619 58.9736 30.1429 179.3194 32 R 3.9751 7.9343 116.4914 58.6543 29.9787 178.2911 33 R 4.4483 7.7876 115.7452 55.1629 30.9351 175.8825 34 N 4.2372 8.0909 114.1004 55.4544 36.5178 174.7713 35 M 4.7460 8.2339 114.0711 55.3427 32.4373 177.0739 36 T 5.0392 7.7483 107.8643 61.5301 69.6549 172.5879 37 Q 4.8562 8.4623 120.9134 56.3523 30.4941 174.8643 38 G 4.0800 9.6756 116.7485 45.1436 0.0000 173.5269 39 R 4.2603 6.9973 116.7649 53.4352 34.1339 175.7478 40 C 4.5710 8.8288 118.7124 56.3631 40.3730 173.7908 41 K 4.1308 8.7215 127.6636 56.0112 32.2781 174.8970 42 P 4.6800 0.0000 0.0000 65.5324 32.5534 176.5927 43 V 5.0747 7.5886 117.4020 60.3851 34.3513 173.7995 44 N 4.7457 9.2925 120.5249 52.8378 42.9372 172.9115 45 T 4.7667 7.7768 120.2840 61.6618 71.8185 172.8074 46 F 4.9267 8.9785 125.0685 55.8690 41.7987 174.8325 47 V 4.4653 8.9963 122.9132 61.0496 33.3653 175.8493 48 H 5.4957 8.6402 129.3482 53.8741 26.0833 174.1967 49 E 4.8136 7.7005 116.9602 52.7564 34.3221 174.7667 50 P 4.3349 0.0000 0.0000 62.9425 33.0623 177.1809 51 L 4.0471 8.7237 123.3267 58.6052 41.9657 179.8896 52 V 3.9249 7.7572 119.6217 64.3626 31.0049 177.9462 53 D 4.3637 8.0191 118.3595 57.2417 40.9350 178.4040 54 V 3.7900 7.6726 118.9070 66.0625 31.6686 178.0212 55 Q 3.9016 8.4771 118.2274 59.1427 28.4386 178.6964 56 N 4.7514 8.5026 117.4072 56.1676 38.4238 177.2435 57 V 3.3142 7.5430 120.0341 66.4403 31.1970 177.1796 58 C 3.2594 7.4674 114.3179 58.2908 39.7567 174.3913 59 F 4.8618 8.1890 119.0440 57.1200 39.7095 175.9908 60 Q 4.7578 7.6973 121.6220 55.1843 29.3884 175.1893 61 E 4.1401 8.7512 124.3077 57.0304 30.6828 177.1511 62 K 4.0899 8.7148 129.2176 56.6237 33.3231 176.0389 63 V 4.5312 8.3242 119.3510 59.9510 36.9152 174.3686 64 T 4.2813 8.2330 118.5259 63.1412 69.3334 176.1097 65 C 4.6147 8.8984 123.9214 56.3020 41.0030 174.5349 66 K 3.6964 9.1098 124.6151 59.8108 31.6841 177.3154 67 N 4.5870 8.1123 112.8395 52.7472 37.3403 175.9062 68 G 3.9428 8.5935 107.8398 45.6226 0.0000 174.4627 69 Q 4.1386 8.2212 119.3404 55.9363 29.3599 177.8406 70 G 3.5804 8.5569 109.8893 48.2795 0.0000 173.9733 71 N 4.6607 7.8473 118.1043 53.0527 37.1956 175.6230 72 C 5.2540 7.5180 114.8559 56.8334 44.2019 173.7482 73 Y 5.1410 8.7817 117.8452 56.3131 41.8058 174.3004 74 K 5.0266 9.0275 126.3360 54.8337 33.5525 176.4224 75 S 4.4399 8.8784 122.9857 58.5445 63.0986 174.0394 76 N 4.4380 9.9393 121.7891 56.1209 38.5592 175.1436 77 S 5.0135 7.6369 110.0328 55.8490 65.3035 173.8274 78 S 4.2625 8.3810 118.6791 58.6956 63.6950 173.1703 79 M 4.9499 9.1970 121.6460 53.6354 36.2233 174.6983 80 H 5.0002 9.4763 119.2832 55.7725 29.8487 174.7392 81 I 5.0746 9.1638 117.0907 59.2677 41.6620 174.3888 82 T 5.1151 8.9143 119.0191 61.9502 71.8057 173.0506 83 D 5.0813 9.2375 126.9187 53.6516 42.8978 174.7613 84 C 5.5756 9.6476 120.7221 55.2128 44.5948 173.0854 85 R 5.1755 8.8760 122.9676 54.2572 33.0139 173.9550 86 L 4.0074 8.9101 129.8246 55.2430 42.6441 177.0826 87 T 4.1652 8.4407 115.9719 61.4184 69.4976 174.9985 88 N 4.6029 8.6454 118.6130 54.4876 38.7539 176.1547 89 G 3.9191 7.3827 105.4193 45.7871 0.0000 174.8426 90 S 4.1403 7.4610 116.7749 58.6022 63.4546 173.9893 91 R 4.4369 8.1951 123.5535 54.4823 32.2686 173.5360 92 Y 4.1623 8.8002 125.8481 57.8836 39.0157 174.0189 93 P 3.2493 0.0000 0.0000 62.5748 31.6628 176.8219 94 N 4.4842 7.8515 119.7982 52.4953 36.8329 171.9392 95 C 4.5864 8.0765 115.8571 55.9182 42.0167 172.8874 96 A 5.0464 8.5176 127.6913 50.3724 20.9526 175.0137 97 Y 5.0967 9.3282 119.3377 56.0139 41.4582 175.5057 98 R 4.3170 8.9836 124.0306 56.3697 31.7188 175.0020 99 T 4.9941 8.5596 122.6062 62.3551 70.4315 174.5415 100 S 4.6881 9.1830 123.0101 55.8421 65.2565 171.6810 101 P 5.0237 0.0000 0.0000 62.4821 32.5326 175.4582 102 K 4.2726 8.2961 119.3817 56.9568 36.4543 173.0502 103 E 5.2028 8.8588 120.0636 54.8611 31.0796 175.9533 104 R 4.7916 8.8350 122.6432 54.5871 35.4101 174.6368 105 H 4.7949 9.1629 118.6383 55.9316 30.1296 174.5943 106 I 4.8835 8.5940 114.2411 59.1834 40.9299 174.2815 107 I 4.9268 8.1638 124.4142 59.6898 40.0489 175.0930 108 V 4.7695 8.5302 119.1419 59.3857 35.8123 174.4686 109 A 5.1390 8.6668 124.3925 50.9953 21.0797 175.6498 110 C 5.1141 8.3437 116.9861 55.2748 38.9897 173.2234 111 E 4.6521 8.6813 121.3857 56.2590 33.5968 174.6571 112 G 4.1231 9.6909 109.4887 44.5279 0.0000 172.1079 113 S 4.5433 8.1254 112.4419 55.4844 64.0428 172.0629 114 P 4.4168 0.0000 0.0000 62.7036 31.6859 175.6300 115 Y 4.7128 8.4380 121.1066 57.0041 38.8689 174.7175 116 V 4.3903 8.0538 119.2711 58.5174 36.8490 173.3711 117 P 4.3589 0.0000 0.0000 62.7696 31.3190 176.7442 118 V 4.6534 8.1725 115.9646 60.6537 33.7941 174.9238 119 H 4.7095 7.8476 117.3037 55.4751 33.1804 172.1602 120 F 4.6932 8.9886 128.3920 57.1858 39.6943 174.3887 121 D 4.5967 8.4957 126.9546 56.1733 41.8510 175.9754 122 A 4.6460 6.7213 116.9124 51.3670 22.3281 174.9433 123 S 5.2433 8.8867 113.4067 56.5373 66.2789 173.5946 124 V 4.3540 8.8452 121.2819 61.2047 34.4857 173.8716 125 E 4.8571 9.0232 129.4386 54.6385 29.8801 174.3764 126 D 4.9979 8.6204 124.6642 52.5543 40.3229 176.3612 127 S 4.1629 7.8825 119.7615 59.1938 62.6891 173.8200 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 2 E 8.29 4.31 0.00 2.03 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 2.30 2.33 0.00 3 S 8.39 4.31 0.00 4.26 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 4 R 9.01 4.20 0.00 1.87 2.09 0.00 3.33 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 5 A 7.94 4.22 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 6 K 7.83 4.03 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.61 7.81 7 K 8.59 4.13 0.00 1.91 2.03 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.31 7.81 8 F 8.47 4.05 0.00 3.38 3.26 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 0.00 9 Q 8.04 4.08 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 10 R 8.07 3.88 0.00 1.78 2.11 0.00 3.35 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 1.68 1.68 0.00 11 Q 7.81 4.08 0.00 1.62 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 12 H 7.78 4.70 0.00 2.03 2.68 0.00 5.61 0.00 0.00 0.00 0.00 6.88 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 4.74 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.75 0.00 14 D 8.92 4.85 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 15 S 8.18 4.31 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 16 D 7.97 4.46 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.26 4.43 0.00 4.03 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 18 S 8.32 4.13 0.00 3.76 3.67 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 19 P 0.00 4.13 0.00 1.98 2.06 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 20 S 7.34 4.42 0.00 3.79 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 21 S 7.45 3.85 0.00 3.59 3.31 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 22 S 8.40 4.53 0.00 4.02 4.01 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 23 S 8.61 4.23 0.00 4.03 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 24 T 7.53 4.42 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 25 Y 8.19 3.99 0.00 3.10 3.07 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 26 C 8.32 4.19 0.00 3.18 3.06 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 27 N 8.20 4.37 0.00 2.76 2.92 0.00 0.00 6.77 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 28 Q 7.76 3.94 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 29 M 7.83 3.68 0.00 0.86 1.16 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.66 0.00 30 M 8.08 4.02 0.00 1.63 1.81 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 1.00 2.36 0.00 31 R 7.43 3.99 0.00 2.17 1.95 0.00 3.14 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 32 R 7.93 3.98 0.00 1.64 1.92 0.00 3.00 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 33 R 7.79 4.45 0.00 1.90 2.09 0.00 3.61 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 34 N 8.09 4.24 0.00 2.89 2.91 0.00 0.00 6.70 7.76 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 35 M 8.23 4.75 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 36 T 7.75 5.04 4.40 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 1.41 0.00 0.00 37 Q 8.46 4.86 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 38 G 9.68 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.00 4.26 0.00 1.65 1.71 0.00 3.30 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 40 C 8.83 4.57 0.00 3.02 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 41 K 8.72 4.13 0.00 1.82 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.40 7.81 42 P 0.00 4.68 0.00 2.19 2.31 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.59 5.07 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 0.69 0.00 0.00 1.02 0.00 0.00 44 N 9.29 4.75 0.00 2.59 2.32 0.00 0.00 6.89 6.76 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 45 T 7.78 4.77 2.79 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 0.85 0.00 0.00 46 F 8.98 4.93 0.00 3.02 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 47 V 9.00 4.47 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 1.16 0.00 0.00 1.10 0.00 0.00 48 H 8.64 5.50 0.00 3.16 3.37 0.00 5.62 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 7.70 4.81 0.00 1.96 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 2.29 2.32 0.00 50 P 0.00 4.33 0.00 2.19 2.02 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 51 L 8.72 4.05 0.00 1.82 1.73 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.76 3.92 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 0.98 0.00 0.00 0.96 0.00 0.00 53 D 8.02 4.36 0.00 2.92 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 54 V 7.67 3.79 2.21 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 1.22 0.00 0.00 1.06 0.00 0.00 55 Q 8.48 3.90 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 56 N 8.50 4.75 0.00 2.95 2.98 0.00 0.00 6.61 7.22 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 57 V 7.54 3.31 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 1.13 0.00 0.00 1.09 0.00 0.00 58 C 7.47 3.26 0.00 1.96 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 0.00 0.00 0.00 59 F 8.19 4.86 0.00 2.98 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 60 Q 7.70 4.76 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 61 E 8.75 4.14 0.00 2.08 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 2.36 2.31 0.00 62 K 8.71 4.09 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 0.90 7.81 63 V 8.32 4.53 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 0.71 0.00 0.00 0.82 0.00 0.00 64 T 8.23 4.28 4.20 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 1.25 0.00 0.00 65 C 8.90 4.61 0.00 3.07 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 9.11 3.70 0.00 1.70 2.16 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.42 7.81 67 N 8.11 4.59 0.00 2.84 2.88 0.00 0.00 6.13 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 8.59 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 0.00 0.00 0.00 69 Q 8.22 4.14 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 70 G 8.56 3.58 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 0.00 0.00 0.00 71 N 7.85 4.66 0.00 2.98 3.14 0.00 0.00 6.18 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 7.52 5.25 0.00 2.98 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 8.78 5.14 0.00 2.70 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 74 K 9.03 5.03 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.59 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.35 7.81 75 S 8.88 4.44 0.00 3.92 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 N 9.94 4.44 0.00 2.73 2.98 0.00 0.00 6.74 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 77 S 7.64 5.01 0.00 3.86 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 78 S 8.38 4.26 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 M 9.20 4.95 0.00 1.97 2.01 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 2.66 2.50 0.00 80 H 9.48 5.00 0.00 3.29 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.16 5.07 1.98 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 0.98 1.07 0.00 0.00 82 T 8.91 5.12 4.36 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 1.24 0.00 0.00 83 D 9.24 5.08 0.00 2.71 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 84 C 9.65 5.58 0.00 2.83 2.85 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 0.00 0.00 0.00 85 R 8.88 5.18 0.00 1.89 1.78 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 86 L 8.91 4.01 0.00 1.63 1.46 0.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.44 4.17 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 1.23 0.00 0.00 88 N 8.65 4.60 0.00 2.72 2.89 0.00 0.00 6.81 7.65 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 89 G 7.38 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 90 S 7.46 4.14 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.44 0.00 1.83 1.72 0.00 3.14 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 92 Y 8.80 4.16 0.00 2.97 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 93 P 0.00 3.25 0.00 1.75 1.12 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 94 N 7.85 4.48 0.00 2.83 2.75 0.00 0.00 7.01 7.20 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 95 C 8.08 4.59 0.00 3.11 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 96 A 8.52 5.05 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 97 Y 9.33 5.10 0.00 2.92 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 R 8.98 4.32 0.00 1.94 1.85 0.00 3.09 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 99 T 8.56 4.99 4.32 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 1.33 0.00 0.00 100 S 9.18 4.69 0.00 3.74 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 0.00 101 P 0.00 5.02 0.00 2.08 2.00 0.00 3.81 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 1.96 2.09 0.00 102 K 8.30 4.27 0.00 1.83 1.93 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.30 7.81 103 E 8.86 5.20 0.00 1.81 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 1.95 2.26 0.00 104 R 8.84 4.79 0.00 1.73 1.95 0.00 3.32 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 105 H 9.16 4.79 0.00 3.08 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.59 4.88 1.66 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 1.10 0.00 0.00 107 I 8.16 4.93 1.69 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 0.80 0.00 0.00 108 V 8.53 4.77 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 0.67 0.00 0.00 0.79 0.00 0.00 109 A 8.67 5.14 1.26 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 0.00 0.00 0.00 110 C 8.34 5.11 0.00 1.97 1.70 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 0.00 111 E 8.68 4.65 0.00 1.95 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 112 G 9.69 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 0.00 0.00 0.00 113 S 8.13 4.54 0.00 3.82 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 0.00 114 P 0.00 4.42 0.00 2.30 2.10 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 115 Y 8.44 4.71 0.00 2.97 2.98 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 0.00 116 V 8.05 4.39 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 0.78 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.36 0.00 0.49 0.94 0.00 3.33 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 118 V 8.17 4.65 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 0.64 0.00 0.00 0.94 0.00 0.00 119 H 7.85 4.71 0.00 3.25 3.12 0.00 5.85 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 0.00 120 F 8.99 4.69 0.00 2.73 2.51 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 0.00 121 D 8.50 4.60 0.00 2.62 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 0.00 122 A 6.72 4.65 1.16 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 0.00 0.00 0.00 123 S 8.89 5.24 0.00 4.01 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 0.00 124 V 8.85 4.35 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 0.92 0.00 0.00 0.91 0.00 0.00 125 E 9.02 4.86 0.00 2.03 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 2.22 2.30 0.00 126 D 8.62 5.00 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 0.00 127 S 7.88 4.16 0.00 3.97 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