NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4346 8.3044 118.1950 55.0548 32.5460 174.3389 1 V 4.2289 8.0065 119.5849 60.5965 34.1702 173.7548 2 L 4.2535 8.3403 127.6787 54.1669 43.4534 176.9989 3 S 4.5416 8.6349 117.3727 57.5882 65.3697 175.0710 4 E 4.2820 8.8804 122.7464 59.7366 29.4400 179.1938 5 G 3.6588 8.1467 105.0633 47.7669 0.0000 175.4214 6 E 3.9320 7.9401 120.9417 59.0822 29.3949 179.3113 7 W 4.2875 8.0501 118.9921 59.9606 29.0475 178.5870 8 Q 4.1341 8.5478 118.1358 59.0220 28.0537 178.8472 9 L 4.0906 7.8756 119.6349 57.6115 41.5934 179.7793 10 V 3.7752 7.8585 118.4300 65.9339 31.6121 177.8925 11 L 4.4171 8.5456 118.2207 56.9858 41.1509 178.7947 12 H 4.2884 8.5667 119.4312 59.1452 29.9102 177.4784 13 V 3.3905 7.8733 120.5845 64.1217 31.3405 178.1841 14 W 3.8209 8.4780 129.1937 60.1709 30.2746 177.7920 15 A 3.9557 7.9611 120.0514 54.7594 18.0155 179.5401 16 K 3.9349 7.3040 117.0810 59.3827 32.0549 179.4950 17 V 2.8366 7.1315 118.4445 65.8610 31.0615 177.7070 18 E 3.8308 7.6027 115.7738 58.1693 29.2749 178.5191 19 A 4.2899 7.5484 120.5258 53.4112 19.8641 177.4132 20 D 4.5881 7.9609 117.1227 51.9165 42.0500 175.5420 21 V 3.5311 7.9770 123.2356 65.1957 31.9553 176.9458 22 A 4.0748 7.9546 120.3937 54.8856 18.3339 179.6742 23 G 3.9566 8.3405 105.6538 47.8512 0.0000 175.7451 24 H 4.1484 8.3704 118.9871 58.1649 28.7267 177.9054 25 G 3.7215 8.3245 107.9758 48.1133 0.0000 175.2741 26 Q 3.8822 8.0240 120.9185 58.7639 28.8151 178.7609 27 D 4.3491 7.9569 119.4225 57.7178 40.8797 179.4634 28 I 3.6645 7.7770 119.7864 64.4653 37.0952 178.6095 29 L 3.5143 7.6343 119.6004 57.4517 41.2825 179.7655 30 I 3.7555 7.6563 119.9322 64.1977 37.0191 178.2410 31 R 3.8373 7.9197 119.5977 59.1914 29.8415 178.2580 32 L 3.8848 8.0241 120.3829 58.3952 41.9581 179.1468 33 F 4.8003 8.0170 117.9249 60.2981 38.5077 178.0626 34 K 4.0398 8.3601 118.0603 59.5547 32.0738 179.1838 35 S 4.2976 7.9668 114.0324 60.4897 63.9235 174.7621 36 H 4.7106 8.4216 120.4668 52.4291 28.8879 172.2701 37 P 4.6607 0.0000 0.0000 64.0567 31.5688 177.5487 38 E 4.0919 8.2106 116.8570 59.3852 29.5109 179.0675 39 T 3.8041 8.2939 111.4775 64.4941 68.8441 176.2369 40 L 3.8011 7.9379 123.0790 57.6812 41.7307 178.4877 41 E 4.1751 7.9735 116.8169 58.3812 29.4853 178.4932 42 K 4.3459 7.9493 117.6540 56.8591 32.4992 176.7141 43 F 4.2674 7.8616 119.0833 55.6462 38.6365 176.3089 44 D 4.3266 8.4005 126.9625 57.1514 40.9143 178.6277 45 R 4.1591 7.6460 117.2058 58.3030 30.7743 176.5342 46 F 5.1500 7.6342 114.3073 55.8839 37.8807 175.9861 47 K 4.2839 8.2320 119.8403 59.1973 33.3897 177.4013 48 H 4.3618 8.1960 114.9171 57.6765 29.0052 175.8432 49 L 3.8973 6.8766 119.1203 55.5273 41.8129 177.0542 50 K 4.3959 9.7539 122.3512 56.7330 34.1893 176.3033 51 T 4.7267 7.4608 107.7498 59.0525 73.1982 174.0881 52 E 3.9647 8.5790 119.8003 59.1095 29.4444 178.2722 53 A 3.9708 7.9093 120.6539 55.1418 18.3028 179.2963 54 E 3.9205 7.8874 115.8840 59.7283 29.7679 179.1913 55 M 4.1258 8.0396 118.8875 58.2751 31.7843 178.9611 56 K 4.0065 8.3010 117.8867 58.6028 32.3019 178.3037 57 A 4.4197 7.3077 118.7661 51.1563 19.4975 177.0258 58 S 4.2081 7.4454 114.3398 57.6530 63.2025 174.6725 59 E 4.0340 8.7767 128.1018 59.0514 29.5214 178.4698 60 D 4.4118 8.0204 118.8376 57.2579 40.9923 178.1729 61 L 3.1516 7.6865 120.8261 57.6663 41.9343 178.9592 62 K 3.8677 7.7647 119.3876 59.3997 32.1573 179.0333 63 K 4.0437 8.1291 118.9029 59.3986 31.9009 179.1517 64 Q 4.2188 8.2778 120.1170 59.0110 28.9673 178.4399 65 G 3.6036 8.2366 107.0273 47.8049 0.0000 175.7929 66 V 3.6260 7.8518 120.8533 65.9195 31.5217 178.1238 67 T 3.9033 8.0340 115.4326 66.6727 68.2728 176.6181 68 V 3.6410 7.9953 119.9194 66.2621 31.5662 178.1483 69 L 4.2192 8.1972 118.7006 58.0976 41.5676 179.6691 70 T 3.9662 8.5306 116.1081 66.5014 68.2064 176.6701 71 A 4.0222 8.1204 122.8323 54.9886 18.4148 179.4221 72 L 3.7348 8.2605 119.2724 58.1864 42.1313 179.4382 73 G 3.4208 8.4769 105.6020 47.6720 0.0000 175.4320 74 A 4.1068 7.6355 121.5075 54.4745 18.6776 179.4559 75 I 3.8791 7.2225 118.8720 64.2636 37.2914 178.4393 76 L 3.9510 7.7395 119.9001 57.6916 41.2117 179.7026 77 K 3.8995 7.6546 117.0580 58.9300 32.1569 179.1430 78 K 3.9241 7.8199 118.5853 56.6485 31.8895 177.1569 79 K 2.0000 8.2365 117.4593 56.5414 29.6832 176.3854 80 G 3.9876 8.1004 107.2009 45.7686 0.0000 174.8152 81 H 4.6566 7.5631 119.3285 54.9402 27.2729 174.6501 82 H 5.2441 7.2067 111.6420 54.1564 29.7719 176.2166 83 E 3.9862 8.6379 121.6375 60.4096 28.9514 179.2152 84 A 4.0406 7.9035 118.3790 55.1873 18.6380 179.0800 85 E 4.0915 8.1814 116.6660 59.4714 29.4865 179.3785 86 L 4.1178 8.2544 119.2389 57.4249 41.6559 179.0106 87 K 3.8928 7.8899 119.0313 59.4357 32.0698 177.3869 88 P 4.3229 0.0000 0.0000 65.7004 31.2215 178.1960 89 L 4.0379 7.5139 117.2918 57.9124 41.9649 178.7150 90 A 4.2039 8.4567 121.2377 55.1425 18.3670 179.2999 91 Q 3.8919 8.2641 118.3822 59.4843 29.1830 178.8153 92 S 4.0888 8.1724 115.1383 61.5180 63.1439 176.0911 93 H 4.1612 8.6413 119.6511 58.2886 28.2560 177.4460 94 A 2.8356 8.0760 122.2524 53.9945 18.3268 178.8012 95 T 4.0032 7.4373 112.5551 64.3022 69.7201 175.9705 96 K 4.0620 7.4861 120.0620 58.6232 32.9140 176.9893 97 H 4.3863 7.6646 113.9055 55.8728 29.5763 174.7547 98 K 3.3345 7.5302 117.4488 56.6050 28.0460 174.1484 99 I 4.4009 8.1994 119.8788 58.5065 39.3994 174.8004 100 P 4.6087 0.0000 0.0000 62.1515 32.4140 177.2448 101 I 3.6217 8.4484 120.4911 64.5166 36.9383 178.1994 102 K 3.5684 8.0214 119.8315 60.1272 31.7581 178.0994 103 Y 4.1608 7.9719 116.4879 60.8976 37.8216 178.3057 104 L 4.2045 7.8485 119.7120 57.6076 41.7699 179.1422 105 E 4.0099 8.0793 118.7327 59.4816 29.4109 179.2608 106 F 4.5151 7.8651 117.8074 60.8315 38.8741 177.5817 107 I 3.9258 8.1133 118.0494 63.7602 37.7675 178.0719 108 S 4.1971 8.0676 116.2907 61.6088 62.6946 176.1966 109 E 4.0355 8.4661 121.7688 59.2877 29.4163 178.7539 110 A 4.0732 8.0996 120.8990 54.9494 18.2940 179.7958 111 I 3.6917 8.0234 118.6618 64.7208 37.2315 178.5799 112 I 3.8200 7.8779 120.6408 64.6727 36.9154 177.9070 113 H 4.0730 8.4132 118.9563 59.4057 29.6423 177.5606 114 V 3.5803 7.8980 119.9549 65.8843 31.3024 178.0033 115 L 3.7883 8.0015 119.0390 57.8251 41.0777 178.8434 116 H 4.3105 7.9015 117.2235 59.5431 29.8807 177.2281 117 S 4.1820 7.9344 115.7693 61.6119 62.7670 176.4865 118 R 4.0487 7.9579 119.4996 57.5919 31.0195 176.5045 119 H 5.0183 8.1565 115.8091 53.8349 29.5894 173.2324 120 P 4.2936 0.0000 0.0000 65.9603 31.5062 179.2073 121 G 3.6568 8.1646 106.4884 47.5261 0.0000 173.6310 122 N 4.9989 8.1973 114.9727 52.9529 39.2982 174.5441 123 F 4.9993 7.8375 119.7171 56.7444 39.7147 174.7598 124 G 3.8740 7.8585 107.9640 44.1192 0.0000 172.5820 125 A 3.8898 8.3920 120.6330 55.4334 18.3137 179.6743 126 D 4.1999 7.9607 116.6268 57.3513 40.9585 178.7157 127 A 3.9792 7.7550 120.9046 54.9243 18.3434 179.3325 128 Q 3.1557 7.9521 118.8056 58.8239 29.0339 178.5318 129 G 3.4798 8.1248 106.7812 47.6591 0.0000 175.6125 130 A 3.9036 7.9804 123.1318 54.9561 18.2704 179.4477 131 M 3.9794 8.1940 116.9443 58.7605 32.3186 177.9984 132 N 4.3142 8.5038 117.6656 56.5129 39.1034 176.8111 133 K 3.9054 8.1216 120.9308 59.3932 32.2725 178.7397 134 A 3.8762 8.1225 121.2261 54.7986 18.1424 179.4983 135 L 4.1784 8.2906 117.8711 57.6481 41.7488 179.2789 136 E 3.9738 8.6602 119.2099 59.1014 29.2508 179.1639 137 L 3.9381 8.1306 120.4941 58.0302 42.1482 178.5665 138 F 4.1587 8.3721 120.5939 61.6192 39.2221 177.2397 139 R 3.4050 8.2359 117.6818 59.0348 29.8720 179.0474 140 K 3.8389 8.2676 119.6561 59.4951 32.2845 178.7140 141 D 4.3143 8.2690 119.4617 57.4024 40.6865 178.8337 142 I 3.5189 7.7181 120.4388 64.0297 36.9419 178.3725 143 A 3.6264 7.9714 121.7268 54.7453 18.0415 179.5327 144 A 3.9931 7.7870 119.4654 55.0364 18.4198 179.9394 145 K 4.0703 7.8597 116.7305 59.3817 32.1346 179.0591 146 Y 4.3661 8.4078 117.6651 61.1893 37.9696 178.6191 147 K 3.9902 8.1752 120.3663 59.7258 32.0400 178.6780 148 E 4.0700 7.9424 117.5923 59.0338 29.4720 178.6574 149 L 4.3034 7.8625 117.5168 55.3721 41.9274 177.7894 150 G 4.0793 7.9143 106.6252 45.1543 0.0000 172.5879 151 Y 4.6174 7.8710 120.2815 56.1161 40.9595 174.1197 152 Q 2.5501 6.6547 120.5616 53.5424 33.6291 176.4256 153 G 3.7021 7.8998 105.5030 46.5438 0.0000 173.3445 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 0 M 8.30 4.43 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 8.01 4.23 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 0.90 0.00 0.00 0.96 0.00 0.00 2 L 8.34 4.25 0.00 0.96 0.72 0.59 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.63 4.54 0.00 4.07 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 E 8.88 4.28 0.00 2.20 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 2.44 2.53 0.00 5 G 8.15 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 0.00 0.00 0.00 6 E 7.94 3.93 0.00 1.87 1.72 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 2.22 2.26 0.00 7 W 8.05 4.29 0.00 3.58 3.18 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 0.00 8 Q 8.55 4.13 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 7.88 4.09 0.00 1.91 1.75 0.89 0.64 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 10 V 7.86 3.78 2.43 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 1.17 0.00 0.00 0.90 0.00 0.00 11 L 8.55 4.42 0.00 1.85 1.81 0.96 1.07 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 12 H 8.57 4.29 0.00 3.45 3.52 0.00 5.77 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 V 7.87 3.39 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 1.10 0.00 0.00 0.86 0.00 0.00 14 W 8.48 3.82 0.00 3.70 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 15 A 7.96 3.96 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 16 K 7.30 3.93 0.00 1.44 1.67 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 17 V 7.13 2.84 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 0.00 0.00 0.06 0.00 0.00 0.39 0.00 0.00 18 E 7.60 3.83 0.00 1.96 1.92 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 2.21 2.09 0.00 19 A 7.55 4.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.96 4.59 0.00 2.67 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 21 V 7.98 3.53 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 1.08 0.00 0.00 0.84 0.00 0.00 22 A 7.95 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 24 H 8.37 4.15 0.00 3.14 3.24 0.00 5.84 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 25 G 8.32 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 0.00 0.00 0.00 26 Q 8.02 3.88 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 27 D 7.96 4.35 0.00 2.85 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 28 I 7.78 3.66 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.89 0.00 0.00 29 L 7.63 3.51 0.00 1.47 1.15 0.87 0.60 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 30 I 7.66 3.76 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.89 0.00 0.00 31 R 7.92 3.84 0.00 1.85 2.11 0.00 2.93 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 8.02 3.88 0.00 1.69 1.35 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.02 4.80 0.00 3.08 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 34 K 8.36 4.04 0.00 1.65 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.64 7.81 35 S 7.97 4.30 0.00 3.75 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 36 H 8.42 4.71 0.00 2.89 2.80 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.66 0.00 2.16 2.11 0.00 3.83 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 2.09 1.99 0.00 38 E 8.21 4.09 0.00 2.30 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 0.00 2.29 2.53 0.00 39 T 8.29 3.80 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 0.72 0.00 0.00 40 L 7.94 3.80 0.00 1.27 1.77 0.23 0.81 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 41 E 7.97 4.18 0.00 2.16 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 2.37 2.57 0.00 42 K 7.95 4.35 0.00 1.77 1.63 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.93 7.81 43 F 7.86 4.27 0.00 3.08 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 0.00 0.00 0.00 0.00 44 D 8.40 4.33 0.00 2.57 2.68 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 0.00 0.00 0.00 45 R 7.65 4.16 0.00 1.59 2.00 0.00 3.34 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 46 F 7.63 5.15 0.00 3.05 3.21 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 47 K 8.23 4.28 0.00 1.88 2.23 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.45 7.81 48 H 8.20 4.36 0.00 3.28 3.52 0.00 5.56 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 6.88 3.90 0.00 1.56 1.60 0.78 0.72 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 50 K 9.75 4.40 0.00 1.79 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 51 T 7.46 4.73 4.23 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 1.20 0.00 0.00 52 E 8.58 3.96 0.00 2.05 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 2.35 2.35 0.00 53 A 7.91 3.97 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 54 E 7.89 3.92 0.00 2.11 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 2.33 2.33 0.00 55 M 8.04 4.13 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 56 K 8.30 4.01 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.41 7.81 57 A 7.31 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.21 0.00 3.81 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 59 E 8.78 4.03 0.00 2.04 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 2.36 2.34 0.00 60 D 8.02 4.41 0.00 2.89 3.08 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 61 L 7.69 3.15 0.00 0.83 1.45 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.76 3.87 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 63 K 8.13 4.04 0.00 2.00 1.90 0.00 2.16 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.46 7.81 64 Q 8.28 4.22 0.00 2.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 65 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.63 2.26 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 1.11 0.00 0.00 0.96 0.00 0.00 67 T 8.03 3.90 4.56 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 1.31 0.00 0.00 68 V 8.00 3.64 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.14 0.00 0.00 69 L 8.20 4.22 0.00 1.81 1.88 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.53 3.97 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 1.26 0.00 0.00 71 A 8.12 4.02 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 72 L 8.26 3.73 0.00 1.69 1.64 0.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.42 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 0.00 0.00 0.00 74 A 7.64 4.11 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 75 I 7.22 3.88 1.84 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 1.53 0.78 0.85 0.00 0.00 76 L 7.74 3.95 0.00 1.36 1.52 -0.23 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 3.90 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 K 7.82 3.92 0.00 1.88 1.78 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.84 7.81 79 K 8.24 2.00 0.00 1.29 0.74 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.82 7.81 80 G 8.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.56 4.66 0.00 3.19 3.21 0.00 5.79 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 82 H 7.21 5.24 0.00 3.32 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.99 0.00 2.10 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 0.00 2.43 2.49 0.00 84 A 7.90 4.04 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 85 E 8.18 4.09 0.00 2.25 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 0.00 2.40 2.47 0.00 86 L 8.25 4.12 0.00 2.05 1.74 0.95 0.71 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 87 K 7.89 3.89 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.51 4.04 0.00 1.92 1.93 0.98 1.11 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 90 A 8.46 4.20 1.50 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 0.00 0.00 0.00 91 Q 8.26 3.89 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.17 4.09 0.00 3.97 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 93 H 8.64 4.16 0.00 3.61 3.59 0.00 5.80 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 94 A 8.08 2.84 0.73 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 0.00 0.00 95 T 7.44 4.00 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 1.10 0.00 0.00 96 K 7.49 4.06 0.00 1.54 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.90 1.28 7.81 97 H 7.66 4.39 0.00 3.03 3.16 0.00 5.83 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 98 K 7.53 3.33 0.00 1.79 1.80 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.25 7.81 99 I 8.20 4.40 2.10 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 1.51 0.96 1.14 0.00 0.00 100 P 0.00 4.61 0.00 1.94 2.07 0.00 3.17 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 0.80 1.51 0.00 101 I 8.45 3.62 1.79 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.84 0.00 0.00 102 K 8.02 3.57 0.00 1.71 1.64 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.72 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.46 0.85 7.81 103 Y 7.97 4.16 0.00 3.15 3.09 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 0.00 104 L 7.85 4.20 0.00 1.81 1.78 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.08 4.01 0.00 2.07 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 2.32 2.42 0.00 106 F 7.87 4.52 0.00 3.16 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 0.00 107 I 8.11 3.93 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.10 0.00 0.00 108 S 8.07 4.20 0.00 4.27 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.47 4.04 0.00 2.29 2.34 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 2.39 2.42 0.00 110 A 8.10 4.07 1.42 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 0.00 0.00 111 I 8.02 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.77 1.05 0.00 0.00 112 I 7.88 3.82 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.82 1.12 0.00 0.00 113 H 8.41 4.07 0.00 3.39 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 115 L 8.00 3.79 0.00 0.46 0.69 0.79 1.08 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 0.00 116 H 7.90 4.31 0.00 3.49 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.93 4.18 0.00 3.81 3.85 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 0.00 118 R 7.96 4.05 0.00 1.59 1.58 0.00 2.92 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.16 5.02 0.00 3.22 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.21 2.27 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.16 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 0.00 0.00 0.00 122 N 8.20 5.00 0.00 2.82 2.95 0.00 0.00 6.68 7.59 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 0.00 123 F 7.84 5.00 0.00 2.90 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 0.00 124 G 7.86 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 0.00 125 A 8.39 3.89 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 0.00 126 D 7.96 4.20 0.00 2.65 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 A 7.75 3.98 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 0.00 128 Q 7.95 3.16 0.00 1.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 129 G 8.12 3.48 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 0.00 130 A 7.98 3.90 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 0.00 131 M 8.19 3.98 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.50 4.31 0.00 2.87 2.91 0.00 0.00 6.85 7.15 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 0.00 133 K 8.12 3.91 0.00 1.96 1.70 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 8.12 3.88 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 0.00 135 L 8.29 4.18 0.00 1.75 1.83 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 3.97 0.00 2.12 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 2.34 2.62 0.00 137 L 8.13 3.94 0.00 1.86 1.95 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.16 0.00 3.09 3.29 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 0.00 139 R 8.24 3.41 0.00 2.03 1.83 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 140 K 8.27 3.84 0.00 1.76 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.27 4.31 0.00 2.86 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 0.00 142 I 7.72 3.52 1.28 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.38 0.17 0.00 0.00 143 A 7.97 3.63 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 0.00 144 A 7.79 3.99 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 0.00 145 K 7.86 4.07 0.00 2.05 1.93 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.41 4.37 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.18 3.99 0.00 1.97 1.97 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.94 4.07 0.00 2.13 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 2.36 2.37 0.00 149 L 7.86 4.30 0.00 1.83 1.71 0.98 0.88 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 0.00 150 G 7.91 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 0.00 151 Y 7.87 4.62 0.00 2.47 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 6.65 2.55 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 1.74 2.19 0.00 153 G 7.90 3.70 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 0.00 0.00 0.00