NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5086 8.1633 120.6166 55.1433 33.3264 173.7335 2 K 4.3066 8.1404 123.4147 55.8653 33.8327 170.7071 3 V 4.9237 9.2573 116.5343 60.2374 37.1988 173.1871 4 I 4.6882 8.5549 124.9824 60.5241 38.8138 176.1817 5 L 4.9416 7.8687 127.3039 55.4254 44.3635 174.8823 6 L 4.2823 8.4458 128.2552 55.3852 49.8100 177.8588 7 E 3.8552 9.6758 133.5972 56.7076 29.2622 174.7944 8 P 4.4678 0.0000 0.0000 63.2429 31.8655 175.9698 9 L 4.7301 7.7591 117.7258 53.8125 45.2587 175.2461 10 E 4.3192 8.6804 119.2410 56.9070 30.6327 177.1905 11 N 4.1343 8.9326 121.3343 53.7906 38.0078 173.8790 12 L 4.2277 7.8414 114.1763 56.5718 42.2161 173.4843 13 G 4.0695 8.4971 113.9335 45.9931 0.0000 166.9311 14 D 4.3213 8.5381 128.5518 53.7800 38.9816 173.8865 15 V 3.5398 8.2553 117.7538 60.8730 32.6606 176.3184 16 G 4.0459 8.5950 106.4336 46.3748 0.0000 172.5132 17 Q 4.3813 7.8900 121.1062 54.8588 30.4235 174.9639 18 V 4.4650 8.3724 126.7858 62.6072 33.0476 175.5990 19 V 4.5699 8.5511 126.2205 60.6868 34.9034 172.4913 20 D 5.1197 8.7769 125.1075 52.8414 40.8531 175.7614 21 V 4.6806 8.4414 114.1577 59.4848 36.4418 174.9048 22 K 4.2697 8.6406 120.2199 55.7286 32.9212 176.2024 23 P 4.3386 0.0000 0.0000 65.8900 31.1743 178.5440 24 G 3.9389 8.2860 103.7179 48.2444 0.0000 174.6183 25 Y 4.4406 8.0426 121.8398 60.2849 38.7822 177.9479 26 A 3.8181 8.0364 121.0053 55.1812 18.4107 179.2528 27 R 3.8477 8.5106 116.1047 59.2386 30.3009 177.6046 28 N 4.9308 8.2020 112.4053 53.7685 39.3449 174.2468 29 Y 4.5927 7.6992 120.0830 58.5006 41.3580 176.6062 30 L 3.6319 7.7737 118.5064 58.1306 42.9397 179.7475 31 L 3.9338 8.6147 118.0270 57.6171 41.9683 178.4332 32 P 4.2130 0.0000 0.0000 65.3559 31.3536 177.2738 33 R 4.2004 7.8667 115.1186 55.1751 29.7696 176.3168 34 G 3.9439 7.4971 104.9411 46.8546 0.0000 174.4594 35 L 4.5114 7.4893 116.6143 53.6865 42.4731 176.0203 36 A 4.4124 7.2027 119.5741 52.0631 22.0287 175.2038 37 V 4.4848 8.1196 117.4950 61.2400 35.8113 174.0698 38 L 4.3037 8.4088 123.8703 54.0905 41.8698 178.5898 39 A 4.4934 8.1114 127.8943 51.4317 15.6087 176.8314 40 T 4.4167 7.5363 112.5734 59.4586 71.4322 176.7247 41 E 3.7261 8.8765 124.5920 60.4905 29.2565 178.9418 42 S 4.0303 8.2315 110.8107 62.1840 62.4990 175.5522 43 N 4.4436 8.4875 117.5666 56.1890 38.6512 176.9526 44 L 3.9072 8.7098 123.2687 58.4983 42.0763 179.4472 45 K 4.0637 8.6354 118.2783 59.5937 32.3864 178.5889 46 A 4.1378 7.7781 120.7657 53.9760 18.4422 178.9782 47 L 4.0216 7.7257 119.7557 58.0615 42.3637 178.2890 48 E 3.8518 8.3075 118.5597 59.1965 28.4200 178.8188 49 A 3.9683 7.7127 120.5029 54.9939 18.3153 178.7341 50 R 3.9707 7.8430 113.7479 57.0239 30.3042 177.4395 51 I 4.1505 7.2885 118.9231 64.3150 37.7357 177.1326 52 R 4.4275 7.6748 114.9486 56.2917 29.9887 176.7375 53 A 4.6893 7.3366 120.7118 51.8267 19.8032 176.9515 54 Q 4.4493 7.9934 116.6281 55.7338 31.2983 177.0656 55 A 4.1827 8.0121 120.0748 54.5231 19.5840 178.9053 56 K 4.2161 7.8138 114.1947 56.8749 32.3491 177.3725 57 R 4.4468 7.8740 117.8557 55.8659 31.9401 175.6062 58 L 4.2962 7.5203 117.2515 55.4130 42.4788 176.6794 59 A 5.0485 7.8629 119.8675 52.5702 19.0919 177.1193 60 E 4.6053 8.0386 118.5751 57.0056 31.3198 176.1886 61 R 4.5591 7.4477 114.9666 56.1403 30.6492 176.6473 62 K 4.5161 7.7930 116.4215 56.4457 33.3087 176.0383 63 A 4.6093 8.0710 120.3535 51.6984 21.2730 177.5827 64 E 4.2079 8.1200 115.6178 58.1838 30.3454 177.3714 65 A 4.1937 7.9106 118.6662 53.6355 18.7703 177.2954 66 E 4.4127 7.9617 114.8556 56.8991 30.8959 178.4870 67 R 4.0817 8.2316 119.4222 58.8844 29.8624 178.2079 68 L 4.1010 7.9945 119.2221 57.3434 41.6869 178.8399 69 K 4.0456 7.3219 117.7789 59.1470 33.7235 177.5816 70 E 4.4065 7.4960 119.4240 53.1936 28.0784 174.5763 71 I 4.1504 6.9270 129.3416 61.5027 41.5259 176.2451 72 L 4.8499 7.7637 118.0974 55.3819 40.6550 176.9289 73 E 4.9605 8.6684 118.0639 57.4287 31.2090 176.3231 74 N 4.5052 7.7352 115.9409 55.0455 38.7967 175.9823 75 L 4.3598 7.4115 120.8242 53.4105 40.4455 177.5811 76 T 4.1140 7.2240 113.2678 61.5940 68.2404 172.0829 77 L 4.2047 8.3453 122.0218 55.5051 42.6695 178.2104 78 T 4.4364 8.0859 121.8761 61.5743 69.1156 171.1785 79 I 4.2220 7.7888 125.1123 59.1654 38.3393 174.3316 80 P 4.7044 0.0000 0.0000 61.3617 29.8266 175.5043 81 V 4.0465 7.3601 124.8775 61.4108 33.9445 176.0373 82 R 4.5303 8.4756 117.4445 53.9158 33.0962 174.6928 83 A 2.6681 8.0715 125.1967 53.4072 22.6006 176.1640 84 G 3.8623 8.3331 97.1839 44.7354 0.0000 172.6056 85 E 5.0028 7.4639 131.0290 57.1851 31.6309 177.3026 86 T 4.4256 7.0676 107.1518 61.9519 69.2451 172.6692 87 K 4.6245 8.3590 115.5224 55.6931 33.4072 173.6305 88 I 3.8201 7.9127 127.1135 60.3726 38.8937 175.6574 89 Y 4.6685 9.4025 120.2801 56.0874 37.3486 177.0926 90 G 4.7799 9.1827 120.2569 45.3735 0.0000 173.7991 91 S 3.4442 7.7781 114.2671 59.8673 64.0175 171.1982 92 V 4.5919 7.8821 115.3287 61.7626 33.6108 172.5216 93 T 4.8029 8.0791 111.0269 60.4865 71.4325 173.9919 94 A 3.6435 8.6076 123.5775 54.9311 18.3661 179.9079 95 K 3.5818 8.3073 115.2050 58.8766 31.8861 177.0253 96 D 4.9063 8.4653 119.3617 54.3715 42.0518 178.1848 97 I 3.6501 7.5639 119.0778 65.0552 37.1885 178.0094 98 A 4.0031 7.9160 119.2261 55.7966 18.6938 178.8607 99 E 3.1466 9.3551 112.9790 59.0364 29.8501 178.9037 100 A 4.0396 8.3669 120.3743 55.9043 17.7446 179.6439 101 L 3.7032 7.4939 117.9678 58.4838 42.1217 179.1165 102 S 4.9598 8.0391 116.4991 61.2592 62.6842 176.9400 103 R 3.7658 8.8113 120.5274 60.1172 29.6276 180.8821 104 Q 3.1964 6.7425 118.1212 57.4308 30.5250 178.3194 105 H 4.6367 7.8722 108.1246 55.3205 29.5508 173.0579 106 G 3.4671 8.1687 108.3305 46.7656 0.0000 172.8088 107 V 4.2167 8.4472 120.2512 61.3462 32.7894 174.9903 108 T 4.4362 8.2600 124.2313 63.6954 69.0699 174.4029 109 I 4.5557 7.7118 123.8665 60.8094 41.0749 173.4737 110 D 4.9139 8.2029 119.2084 52.3914 44.4486 174.3611 111 P 4.4699 0.0000 0.0000 64.9500 31.6605 177.1603 112 K 4.5725 7.8121 114.0627 56.0032 35.2578 176.7969 113 R 4.4755 7.6360 120.8768 53.6264 27.9240 173.5289 114 L 4.7127 6.6636 121.1432 53.6154 49.8100 174.7554 115 A 4.4245 7.8467 124.1296 52.0215 22.2962 176.4242 116 L 4.1458 8.1776 118.6481 56.0852 43.7493 174.4013 117 E 4.6317 8.1977 122.4056 56.5321 29.4621 179.5602 118 K 4.1821 8.8685 129.6035 55.7420 32.9967 173.8637 119 P 5.3133 0.0000 0.0000 61.7051 31.8501 178.9777 120 I 2.5514 8.7484 122.5142 59.7510 38.2275 175.6112 121 K 3.8472 9.6093 123.6141 57.7823 29.4735 175.8603 122 E 5.0291 8.0043 113.3829 55.5966 32.1318 175.4032 123 L 4.0268 8.9035 128.8117 55.0519 42.8754 177.8559 124 G 3.3903 7.2228 109.3093 44.9639 0.0000 171.0429 125 E 4.5378 7.9699 121.6407 54.7990 31.3359 174.5975 126 Y 5.1543 8.1519 120.7732 56.1962 41.2741 175.3865 127 V 4.6079 8.1874 120.5632 61.5463 34.6785 174.2106 128 L 4.8871 8.1921 126.4605 53.3979 45.1855 176.7083 129 T 4.4283 8.5990 119.7575 63.1109 69.9915 173.4227 130 Y 5.0432 8.3324 124.2677 57.2248 40.0604 174.4422 131 K 5.0281 8.6299 121.1785 55.2567 35.7987 173.8239 132 P 4.7165 0.0000 0.0000 64.4435 32.7229 175.9503 133 H 4.0460 7.7273 109.0229 56.5706 26.2009 172.1174 134 P 4.6948 0.0000 0.0000 63.4540 31.8940 175.8063 135 E 3.2530 7.6290 113.5878 58.1119 31.2960 173.7211 136 V 4.8062 7.7050 118.4994 59.2243 34.7670 173.4559 137 P 4.8976 0.0000 0.0000 63.2001 33.0894 175.0157 138 I 4.5224 8.0004 118.7386 61.0370 41.4071 174.3469 139 Q 4.7742 7.9058 126.9948 55.4830 30.0199 174.5903 140 L 4.5001 8.0814 120.4636 55.0808 44.8822 176.2817 141 K 4.7493 8.1749 123.6625 53.7040 32.5863 176.5426 142 V 3.8743 7.6458 123.4980 61.2759 29.6211 175.0749 143 S 4.3699 7.2834 120.0245 58.9544 63.7596 174.5670 144 V 4.3613 7.9962 118.0070 61.8243 34.6606 175.4608 145 V 4.0213 8.0714 118.1452 61.4191 31.3410 175.7484 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 8.16 4.51 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 8.14 4.31 0.00 1.81 1.72 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.26 4.92 2.12 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 0.79 0.00 0.00 0.99 0.00 0.00 4 I 8.55 4.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.90 0.00 0.00 5 L 7.87 4.94 0.00 1.49 1.64 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.45 4.28 0.00 1.44 0.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.68 3.86 0.00 1.92 1.96 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 2.31 2.38 0.00 8 P 0.00 4.47 0.00 2.18 2.16 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 9 L 7.76 4.73 0.00 1.81 1.68 1.13 0.89 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 10 E 8.68 4.32 0.00 1.98 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 2.34 2.23 0.00 11 N 8.93 4.13 0.00 2.87 2.89 0.00 0.00 6.90 7.78 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 12 L 7.84 4.23 0.00 1.88 1.79 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.50 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 14 D 8.54 4.32 0.00 3.03 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 15 V 8.26 3.54 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 0.85 0.00 0.00 0.93 0.00 0.00 16 G 8.60 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 17 Q 7.89 4.38 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 18 V 8.37 4.46 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 0.86 0.00 0.00 0.93 0.00 0.00 19 V 8.55 4.57 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 0.96 0.00 0.00 20 D 8.78 5.12 0.00 2.83 2.71 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 21 V 8.44 4.68 2.29 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 0.84 0.00 0.00 1.05 0.00 0.00 22 K 8.64 4.27 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 23 P 0.00 4.34 0.00 2.17 2.16 0.00 3.66 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 2.14 2.21 0.00 24 G 8.29 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 25 Y 8.04 4.44 0.00 2.97 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 26 A 8.04 3.82 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 27 R 8.51 3.85 0.00 2.02 1.99 0.00 3.26 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 1.66 1.69 0.00 28 N 8.20 4.93 0.00 2.96 2.90 0.00 0.00 6.78 8.32 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 29 Y 7.70 4.59 0.00 3.05 2.84 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 30 L 7.77 3.63 0.00 1.74 1.48 0.62 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.61 3.93 0.00 1.85 1.69 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.21 0.00 1.98 2.08 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 33 R 7.87 4.20 0.00 1.50 1.67 0.00 2.21 0.00 0.00 2.64 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 34 G 7.50 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 35 L 7.49 4.51 0.00 1.39 1.62 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.20 4.41 1.14 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 0.00 0.00 37 V 8.12 4.48 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 0.99 0.00 0.00 0.90 0.00 0.00 38 L 8.41 4.30 0.00 1.56 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.11 4.49 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 40 T 7.54 4.42 4.24 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 1.25 0.00 0.00 41 E 8.88 3.73 0.00 2.03 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 2.41 2.42 0.00 42 S 8.23 4.03 0.00 3.85 3.82 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 43 N 8.49 4.44 0.00 2.80 2.84 0.00 0.00 6.78 6.16 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 44 L 8.71 3.91 0.00 1.73 1.79 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.64 4.06 0.00 1.97 2.05 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.83 1.45 7.81 46 A 7.78 4.14 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 47 L 7.73 4.02 0.00 1.79 1.97 0.92 0.80 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 48 E 8.31 3.85 0.00 2.07 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 2.38 2.40 0.00 49 A 7.71 3.97 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 50 R 7.84 3.97 0.00 1.80 2.04 0.00 3.25 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 51 I 7.29 4.15 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.81 0.91 0.00 0.00 52 R 7.67 4.43 0.00 1.80 1.95 0.00 3.11 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 53 A 7.34 4.69 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 54 Q 7.99 4.45 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 55 A 8.01 4.18 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 56 K 7.81 4.22 0.00 1.73 1.98 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 57 R 7.87 4.45 0.00 1.83 1.74 0.00 3.59 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 58 L 7.52 4.30 0.00 2.02 1.77 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.86 5.05 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 60 E 8.04 4.61 0.00 1.87 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 0.00 2.17 2.30 0.00 61 R 7.45 4.56 0.00 1.89 1.91 0.00 3.36 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 62 K 7.79 4.52 0.00 1.67 1.84 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.53 7.81 63 A 8.07 4.61 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 64 E 8.12 4.21 0.00 2.05 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 2.32 2.36 0.00 65 A 7.91 4.19 1.24 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 0.00 0.00 66 E 7.96 4.41 0.00 2.19 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 0.00 2.35 2.25 0.00 67 R 8.23 4.08 0.00 1.99 1.97 0.00 3.47 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 68 L 7.99 4.10 0.00 1.78 1.96 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.32 4.05 0.00 1.89 1.97 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.73 7.81 70 E 7.50 4.41 0.00 2.04 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 2.28 0.00 71 I 6.93 4.15 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.23 0.92 0.00 0.00 72 L 7.76 4.85 0.00 1.72 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.67 4.96 0.00 2.21 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 2.34 2.22 0.00 74 N 7.74 4.51 0.00 2.85 2.92 0.00 0.00 6.05 7.79 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 75 L 7.41 4.36 0.00 1.81 1.69 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.22 4.11 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 1.24 0.00 0.00 77 L 8.35 4.20 0.00 1.62 1.54 0.99 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 78 T 8.09 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 1.19 0.00 0.00 79 I 7.79 4.22 1.96 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 1.45 1.16 0.94 0.00 0.00 80 P 0.00 4.70 0.00 2.15 2.06 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 81 V 7.36 4.05 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 0.74 0.00 0.00 0.94 0.00 0.00 82 R 8.48 4.53 0.00 1.87 1.86 0.00 3.25 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 83 A 8.07 2.67 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 84 G 8.33 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.46 5.00 0.00 2.11 1.89 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 2.10 2.08 0.00 86 T 7.07 4.43 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 1.24 0.00 0.00 87 K 8.36 4.62 0.00 1.73 1.70 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.49 7.81 88 I 7.91 3.82 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 1.06 0.00 0.00 89 Y 9.40 4.67 0.00 3.06 2.93 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 0.00 0.00 0.00 90 G 9.18 4.78 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 0.00 0.00 0.00 91 S 7.78 3.44 0.00 4.10 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 92 V 7.88 4.59 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 0.76 0.00 0.00 0.97 0.00 0.00 93 T 8.08 4.80 4.25 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 1.22 0.00 0.00 94 A 8.61 3.64 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 95 K 8.31 3.58 0.00 1.74 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 96 D 8.47 4.91 0.00 2.79 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 97 I 7.56 3.65 1.86 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 1.58 1.06 0.89 0.00 0.00 98 A 7.92 4.00 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 99 E 9.36 3.15 0.00 1.99 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 2.31 2.53 0.00 100 A 8.37 4.04 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 0.00 101 L 7.49 3.70 0.00 1.98 1.91 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.04 4.96 0.00 3.95 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 0.00 103 R 8.81 3.77 0.00 1.93 1.95 0.00 3.33 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 104 Q 6.74 3.20 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.57 0.00 0.00 0.00 0.00 0.00 1.93 2.20 0.00 105 H 7.87 4.64 0.00 3.18 3.31 0.00 5.82 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 0.00 106 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 0.00 107 V 8.45 4.22 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 0.98 0.00 0.00 nan 0.00 0.00 108 T 8.26 4.44 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 1.24 0.00 0.00 109 I 7.71 4.56 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 1.34 0.17 0.80 0.00 0.00 110 D 8.20 4.91 0.00 2.74 2.54 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 0.00 111 P 0.00 4.47 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 112 K 7.81 4.57 0.00 1.72 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.42 7.81 113 R 7.64 4.48 0.00 1.81 2.33 0.00 3.31 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 114 L 6.66 4.71 0.00 1.67 1.49 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.85 4.42 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 0.00 116 L 8.18 4.15 0.00 1.60 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.20 4.63 0.00 1.90 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 2.18 2.37 0.00 118 K 8.87 4.18 0.00 1.69 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 119 P 0.00 5.31 0.00 2.23 2.09 0.00 3.42 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 120 I 8.75 2.55 1.97 0.00 0.00 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 1.63 0.75 1.20 0.00 0.00 121 K 9.61 3.85 0.00 2.11 1.99 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.48 7.81 122 E 8.00 5.03 0.00 1.96 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 2.35 2.10 0.00 123 L 8.90 4.03 0.00 1.65 1.55 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.22 3.39 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 0.00 125 E 7.97 4.54 0.00 1.86 1.79 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 2.17 2.16 0.00 126 Y 8.15 5.15 0.00 2.95 2.73 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 0.00 127 V 8.19 4.61 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 0.86 0.00 0.00 0.97 0.00 0.00 128 L 8.19 4.89 0.00 1.62 1.52 0.91 0.89 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 0.00 129 T 8.60 4.43 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 1.34 0.00 0.00 130 Y 8.33 5.04 0.00 2.90 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 0.00 131 K 8.63 5.03 0.00 1.73 1.86 0.00 1.20 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.29 7.81 132 P 0.00 4.72 0.00 2.25 2.12 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 133 H 7.73 4.05 0.00 3.35 3.67 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.69 0.00 2.16 2.13 0.00 3.97 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 135 E 7.63 3.25 0.00 2.37 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 0.00 2.21 2.24 0.00 136 V 7.71 4.81 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 1.00 0.00 0.00 1.07 0.00 0.00 137 P 0.00 4.90 0.00 2.16 2.24 0.00 3.88 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 2.17 2.02 0.00 138 I 8.00 4.52 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.87 0.00 0.00 139 Q 7.91 4.77 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 140 L 8.08 4.50 0.00 1.59 1.75 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.17 4.75 0.00 1.78 1.68 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.29 7.81 142 V 7.65 3.87 2.25 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 0.72 0.00 0.00 0.90 0.00 0.00 143 S 7.28 4.37 0.00 3.86 3.81 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 0.00 144 V 8.00 4.36 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 0.73 0.00 0.00 0.84 0.00 0.00 145 V 8.07 4.02 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 0.61 0.00 0.00 0.83 0.00 0.00