NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2462 0.0000 0.0000 62.5934 33.9781 174.3858 2 H 5.1004 7.8995 120.0706 54.3808 32.2875 171.3371 3 F 5.5258 9.0985 125.2432 55.7188 42.7826 173.9028 4 L 4.3618 8.3363 123.5774 53.4561 44.0413 175.2696 5 I 4.5137 8.2556 127.9780 59.8652 38.5948 174.2221 6 L 4.9091 8.9404 131.1489 53.5056 43.8535 174.6290 7 N 5.3752 9.4354 124.9215 51.7319 41.3358 175.7436 8 G 4.1209 8.9247 113.8746 43.2577 0.0000 170.5595 9 P 4.9243 0.0000 0.0000 63.8693 31.3420 176.6260 10 N 4.3939 9.1785 116.5844 53.6762 37.3186 176.2876 11 V 3.5615 7.4491 118.3349 65.6679 31.7077 177.6777 12 N 4.3327 8.0521 115.9267 55.3675 37.1227 175.5834 13 R 4.2563 7.7073 116.3738 55.7448 30.5606 176.4873 14 L 3.6749 7.3994 119.5884 56.7751 41.9242 177.9995 15 G 4.0088 9.5417 110.6756 47.0863 0.0000 173.4818 16 S 4.6553 7.4968 110.4639 56.5729 63.6347 173.1536 17 R 4.0635 8.3612 117.7553 57.7481 31.0190 176.8091 18 E 3.8202 7.4296 110.3897 56.4883 25.7887 174.8320 19 P 4.8265 0.0000 0.0000 64.1051 31.8573 178.4138 20 E 4.1167 8.1540 114.2589 57.5020 30.0566 177.2921 21 V 3.8515 7.5102 118.3624 63.4838 32.6968 176.1626 22 F 4.5812 7.8448 115.9637 57.1374 41.0806 174.9778 23 G 4.2124 8.2189 108.6395 44.9923 0.0000 175.8300 24 R 3.9289 8.5645 118.3408 58.7727 29.3564 177.7791 25 Q 4.3051 7.9896 116.1693 56.2071 29.6040 174.6121 26 T 5.2501 7.7409 108.4666 58.6031 72.7269 174.7553 27 L 3.9130 8.2331 122.0286 58.3981 41.8854 179.1382 28 T 3.6821 7.6996 115.4331 66.4260 68.4330 175.8461 29 D 4.3324 8.1401 120.9991 57.6753 40.8361 179.1392 30 I 3.6242 7.4806 119.4992 64.3675 37.0994 178.0341 31 E 3.2493 7.9094 119.9732 59.3216 29.4081 178.9214 32 T 3.7748 7.8949 115.8710 66.8691 68.3995 176.3304 33 D 4.4489 8.2189 120.6902 57.4401 40.9082 178.9145 34 L 4.0331 8.3579 119.7814 57.4688 41.6491 179.3478 35 F 4.2649 8.5636 121.0999 61.2252 38.8026 176.9720 36 Q 4.0739 8.2116 117.4968 59.2647 28.6791 178.9236 37 F 4.1726 8.2011 121.2092 61.3294 39.2269 177.0150 38 A 4.2249 8.2433 120.4026 55.0339 18.1458 179.5697 39 E 4.0108 8.0632 116.6724 59.4829 29.4885 179.2047 40 A 4.3106 7.5237 119.9073 54.5359 18.3858 178.4662 41 L 4.6303 6.7895 114.5601 53.4936 42.9016 181.5321 42 H 3.9653 8.3978 113.8582 57.4391 26.7807 174.1842 43 I 4.6742 8.6188 112.2341 59.2119 40.8813 174.2375 44 Q 4.7036 8.6569 120.9788 54.0856 31.1734 175.0466 45 L 5.3264 8.6236 122.2769 53.2519 45.5099 175.9225 46 T 4.7472 8.3573 118.5747 61.8953 71.7613 172.9768 47 F 5.1247 8.9924 124.8255 56.2495 41.2900 175.3598 48 F 4.9630 8.9143 124.2264 57.2369 42.9002 172.6464 49 Q 5.2967 7.8307 126.4613 53.6165 31.5153 174.1157 50 S 4.4656 7.8979 116.9832 57.5579 65.9649 174.4377 51 N 4.6911 8.8883 121.5321 53.7043 39.0868 174.0696 52 H 5.0445 8.2362 117.7086 53.9856 30.7139 175.3140 53 E 3.9912 9.0930 125.3397 59.5253 29.5362 179.0873 54 G 3.7382 8.1889 105.0870 48.0702 0.0000 175.1497 55 D 4.4759 8.0820 120.7386 57.1842 40.8445 178.8212 56 L 4.1602 7.9655 119.0938 57.9030 41.6731 179.4837 57 I 3.6942 7.7496 119.5279 64.2497 37.0064 178.2210 58 D 4.2468 8.2351 119.5610 57.3878 40.6125 178.7209 59 A 3.9743 8.0764 121.1763 55.0779 18.0989 179.8528 60 I 3.6897 7.7121 117.4779 64.8118 37.3154 177.8919 61 H 4.4049 7.8526 115.6430 59.2296 28.4949 177.4775 62 E 4.1635 8.4293 118.7924 58.2767 29.2814 179.0083 63 A 4.0674 7.8409 121.4308 54.9239 18.2908 178.8440 64 E 3.9419 8.3457 117.6029 59.4866 29.3405 177.9610 65 E 4.5397 7.4132 114.6467 56.5075 29.8738 176.4996 66 Q 4.1307 7.5865 117.7466 55.4700 31.2045 173.7846 67 Y 4.9833 8.1312 113.9828 56.2082 41.2407 175.1100 68 S 4.8030 8.5954 114.1806 57.9545 64.0647 174.0303 69 G 4.2582 7.7487 106.0066 46.2221 0.0000 172.4826 70 I 5.1916 8.1075 121.1207 59.2098 41.3671 174.7833 71 V 4.4669 8.6817 126.7130 61.2402 33.3286 173.9761 72 L 5.0564 8.9001 131.0856 53.3538 44.8183 174.5382 73 N 5.2446 9.1510 125.8949 50.4376 39.7989 172.5441 74 P 4.4499 0.0000 0.0000 61.6367 32.9158 178.0504 75 G 3.8777 8.4260 108.5552 46.1526 0.0000 174.5976 76 A 4.2912 8.5979 119.8085 54.6535 18.2898 179.6161 77 L 3.3555 7.6964 117.8135 57.1867 41.5308 179.0069 78 S 3.9332 7.7972 113.5321 61.9163 61.9515 175.6561 79 H 4.9782 7.7511 116.2632 57.3829 28.8335 175.5274 80 Y 4.6449 7.2311 114.1623 55.6550 40.8542 176.4633 81 S 4.2277 7.6253 117.1050 57.4080 60.0569 173.4028 82 Y 4.2451 7.9870 124.0500 60.3518 38.1229 177.4555 83 A 4.1517 8.0484 121.3549 54.8105 18.4919 179.5800 84 I 3.7383 7.5984 118.4838 64.1989 37.2079 178.2195 85 R 3.9076 7.8304 119.5888 59.9042 29.7116 178.4147 86 D 4.4365 8.0255 116.6850 56.9743 41.0136 178.5080 87 A 4.2161 7.9424 121.0943 55.2502 18.2695 179.6740 88 V 3.5764 7.9303 116.8490 66.4859 31.3493 178.3331 89 S 4.2826 8.1018 113.4653 60.3848 62.6910 175.5783 90 S 4.6875 7.6733 115.6454 57.0983 63.3710 173.4556 91 I 4.7720 7.0469 114.9099 58.5468 39.8463 175.6391 92 S 4.5174 8.9972 114.9089 58.9379 63.6549 174.7053 93 L 4.4591 7.7010 121.5352 53.7385 42.5818 174.9844 94 P 4.4846 0.0000 0.0000 63.0074 32.6862 175.1517 95 V 4.8729 8.5060 122.7991 60.9527 35.0716 173.8952 96 V 4.7472 8.3951 126.6541 61.0236 34.2992 173.7807 97 E 4.8214 8.8033 129.2293 55.3984 31.2517 175.0123 98 V 4.8272 8.6215 125.8278 61.4378 35.3761 173.7480 99 H 4.7858 8.7064 123.6193 54.3026 32.4437 174.3735 100 L 4.2374 8.7307 123.0592 57.7472 42.5636 177.8831 101 S 4.4264 7.9307 111.1247 57.3483 64.1564 174.0007 102 N 4.4511 8.1552 119.8899 52.3836 37.4239 174.9769 103 L 3.7744 7.9723 125.6480 57.6367 41.9795 179.6505 104 Y 3.8955 7.1081 114.5968 60.4780 37.7690 176.7777 105 A 4.3781 8.0461 120.4339 52.3876 19.3563 177.1812 106 R 4.7675 7.3124 116.3678 54.5380 32.6368 175.9140 107 E 4.0617 8.2584 117.6296 56.9563 30.3255 177.4678 108 E 3.4056 8.7176 122.2198 59.1262 29.7817 179.2159 109 F 4.3152 7.9791 112.3550 59.2938 38.0296 175.9612 110 R 3.4209 6.9409 118.5580 56.8890 29.9225 176.5671 111 H 4.8078 7.7895 115.0563 56.0871 29.0753 175.0774 112 Q 4.7258 7.7986 117.0655 54.0930 31.3021 174.3560 113 S 4.8460 8.5959 114.2751 56.8268 64.3596 174.1998 114 V 4.0555 8.6718 120.4059 62.1129 32.2096 177.2060 115 I 4.0076 7.6121 121.0185 63.4939 38.0308 177.5908 116 A 4.0006 8.3755 123.6571 54.8608 18.2357 177.7512 117 P 4.3114 0.0000 0.0000 65.1253 31.3938 177.3651 118 V 4.1624 7.6556 108.3699 60.8645 32.2920 175.4444 119 A 4.5794 7.4326 123.4821 50.2912 20.4145 177.7684 120 K 4.0449 8.8031 119.2435 58.6593 32.3318 177.6228 121 G 3.9107 7.2031 102.8441 46.6683 0.0000 171.3027 122 Q 5.1820 8.4234 119.4762 54.7084 32.4065 174.0544 123 I 4.5750 8.6546 126.3762 59.4931 40.2122 174.7382 124 V 4.6793 8.2933 126.0685 62.4561 34.2086 175.5175 125 G 3.9269 8.9796 115.5730 45.5555 0.0000 173.3378 126 L 4.4035 7.6799 118.3901 54.1413 42.4145 178.5792 127 G 3.8656 8.0998 109.6242 45.7144 0.0000 174.7262 128 A 4.2963 8.4783 118.8229 54.7607 18.2898 179.3871 129 E 4.0894 8.4762 117.9410 59.2835 29.4738 178.8305 130 G 3.6298 7.9539 105.4898 48.0926 0.0000 175.1632 131 Y 4.1073 8.0264 118.8214 60.8798 37.8865 178.9584 132 K 3.7433 7.9596 118.9127 59.2109 32.2273 179.1935 133 L 4.0521 8.3140 119.4373 57.7267 41.5126 179.4364 134 A 3.9648 8.1568 120.6685 55.2331 18.3264 179.6799 135 V 3.2787 7.8027 116.6983 66.2121 31.4520 178.3114 136 R 4.0473 8.5572 118.0834 59.5597 29.7405 178.3339 137 Y 4.0687 7.9070 117.9495 60.7509 39.1235 177.8737 138 L 3.8791 8.0903 119.9225 57.6111 41.3880 179.3825 139 L 4.2171 7.9933 118.6779 57.9032 41.7280 179.4057 140 S 4.2735 7.9364 112.1517 60.2384 63.2130 174.7640 141 Q 4.1465 7.5151 126.3403 56.0887 28.7259 175.2195 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 P 0.00 4.25 0.00 1.58 1.38 0.00 3.46 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 2.00 2.01 0.00 2 H 7.90 5.10 0.00 3.10 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.10 5.53 0.00 3.02 2.75 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 0.00 0.00 0.00 4 L 8.34 4.36 0.00 0.69 1.17 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.26 4.51 1.46 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.47 0.94 0.00 0.00 6 L 8.94 4.91 0.00 1.70 1.56 0.97 0.68 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 7 N 9.44 5.38 0.00 2.59 2.69 0.00 0.00 6.45 7.46 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 8 G 8.92 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 9 P 0.00 4.92 0.00 2.19 2.08 0.00 3.64 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 10 N 9.18 4.39 0.00 2.91 2.94 0.00 0.00 6.77 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 11 V 7.45 3.56 2.16 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 1.05 0.00 0.00 1.02 0.00 0.00 12 N 8.05 4.33 0.00 2.80 2.99 0.00 0.00 6.02 7.66 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 13 R 7.71 4.26 0.00 1.70 1.91 0.00 3.30 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 14 L 7.40 3.67 0.00 1.79 1.58 0.82 1.26 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 15 G 9.54 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 0.00 0.00 0.00 16 S 7.50 4.66 0.00 3.90 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 17 R 8.36 4.06 0.00 1.92 1.92 0.00 3.08 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 18 E 7.43 3.82 0.00 1.98 2.16 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 2.28 1.93 0.00 19 P 0.00 4.83 0.00 2.20 2.16 0.00 3.87 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 2.13 2.06 0.00 20 E 8.15 4.12 0.00 2.02 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 0.00 2.26 2.35 0.00 21 V 7.51 3.85 1.65 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 -0.09 0.00 0.00 0.79 0.00 0.00 22 F 7.84 4.58 0.00 3.10 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 23 G 8.22 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 0.00 0.00 0.00 0.00 24 R 8.56 3.93 0.00 1.84 1.86 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 25 Q 7.99 4.31 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 T 7.74 5.25 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 27 L 8.23 3.91 0.00 1.71 1.62 0.83 0.66 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 28 T 7.70 3.68 4.16 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 1.09 0.00 0.00 29 D 8.14 4.33 0.00 2.95 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 30 I 7.48 3.62 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.68 0.00 0.00 31 E 7.91 3.25 0.00 1.69 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 1.47 1.47 0.00 32 T 7.89 3.77 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 1.20 0.00 0.00 33 D 8.22 4.45 0.00 2.90 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 34 L 8.36 4.03 0.00 1.92 1.99 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.56 4.26 0.00 3.36 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 36 Q 8.21 4.07 0.00 2.49 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 37 F 8.20 4.17 0.00 3.10 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 38 A 8.24 4.22 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 39 E 8.06 4.01 0.00 2.09 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 2.33 2.20 0.00 40 A 7.52 4.31 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 41 L 6.79 4.63 0.00 1.75 1.45 0.92 0.98 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 42 H 8.40 3.97 0.00 3.24 3.42 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.62 4.67 1.86 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 1.47 0.83 0.97 0.00 0.00 44 Q 8.66 4.70 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 45 L 8.62 5.33 0.00 1.69 1.20 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.36 4.75 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 1.32 0.00 0.00 47 F 8.99 5.12 0.00 2.89 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 48 F 8.91 4.96 0.00 3.10 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 49 Q 7.83 5.30 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.45 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 50 S 7.90 4.47 0.00 3.57 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 51 N 8.89 4.69 0.00 2.73 2.76 0.00 0.00 6.92 8.16 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 52 H 8.24 5.04 0.00 3.35 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.09 3.99 0.00 2.00 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 0.00 2.36 2.32 0.00 54 G 8.19 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 0.00 0.00 0.00 55 D 8.08 4.48 0.00 2.99 3.03 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 56 L 7.97 4.16 0.00 1.83 1.75 0.91 0.95 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 57 I 7.75 3.69 1.95 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 1.50 0.66 0.74 0.00 0.00 58 D 8.24 4.25 0.00 2.93 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 59 A 8.08 3.97 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 60 I 7.71 3.69 1.88 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 1.55 0.72 0.94 0.00 0.00 61 H 7.85 4.40 0.00 3.27 3.37 0.00 5.67 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 62 E 8.43 4.16 0.00 2.13 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 2.32 2.33 0.00 63 A 7.84 4.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.94 0.00 2.12 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 2.39 2.50 0.00 65 E 7.41 4.54 0.00 1.76 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 2.28 2.28 0.00 66 Q 7.59 4.13 0.00 1.62 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 67 Y 8.13 4.98 0.00 2.94 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 68 S 8.60 4.80 0.00 3.95 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 69 G 7.75 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 0.00 0.00 0.00 0.00 70 I 8.11 5.19 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.94 0.00 0.00 71 V 8.68 4.47 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 1.08 0.00 0.00 0.84 0.00 0.00 72 L 8.90 5.06 0.00 1.74 1.44 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.15 5.24 0.00 2.69 2.98 0.00 0.00 6.80 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 74 P 0.00 4.45 0.00 2.18 2.21 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 75 G 8.43 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 0.00 0.00 0.00 76 A 8.60 4.29 1.55 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 0.00 0.00 77 L 7.70 3.36 0.00 1.59 1.41 0.84 0.38 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 78 S 7.80 3.93 0.00 3.92 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 79 H 7.75 4.98 0.00 3.55 3.65 0.00 5.68 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 80 Y 7.23 4.64 0.00 2.93 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 81 S 7.63 4.23 0.00 3.49 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 82 Y 7.99 4.25 0.00 3.16 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 83 A 8.05 4.15 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 84 I 7.60 3.74 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.89 0.00 0.00 85 R 7.83 3.91 0.00 2.00 2.26 0.00 3.43 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 86 D 8.03 4.44 0.00 2.76 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 87 A 7.94 4.22 1.44 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 0.00 0.00 88 V 7.93 3.58 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 1.04 0.00 0.00 1.01 0.00 0.00 89 S 8.10 4.28 0.00 4.08 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 90 S 7.67 4.69 0.00 4.02 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 91 I 7.05 4.77 2.08 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 1.17 1.18 0.99 0.00 0.00 92 S 9.00 4.52 0.00 4.02 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 93 L 7.70 4.46 0.00 1.62 1.72 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.48 0.00 2.21 2.26 0.00 3.83 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 2.14 2.02 0.00 95 V 8.51 4.87 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 0.97 0.00 0.00 1.01 0.00 0.00 96 V 8.40 4.75 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 0.84 0.00 0.00 0.89 0.00 0.00 97 E 8.80 4.82 0.00 2.07 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 2.22 2.30 0.00 98 V 8.62 4.83 1.69 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 0.36 0.00 0.00 0.81 0.00 0.00 99 H 8.71 4.79 0.00 2.98 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.73 4.24 0.00 1.78 1.77 0.95 1.04 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 0.00 101 S 7.93 4.43 0.00 3.69 3.50 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 0.00 102 N 8.16 4.45 0.00 2.69 2.69 0.00 0.00 6.87 6.66 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 0.00 103 L 7.97 3.77 0.00 0.96 1.47 0.48 0.72 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 0.00 104 Y 7.11 3.90 0.00 3.02 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 0.00 105 A 8.05 4.38 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 0.00 106 R 7.31 4.77 0.00 1.76 1.77 0.00 2.97 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 107 E 8.26 4.06 0.00 1.57 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 2.51 2.36 0.00 108 E 8.72 3.41 0.00 1.93 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 2.33 2.22 0.00 109 F 7.98 4.32 0.00 3.11 3.12 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 0.00 110 R 6.94 3.42 0.00 1.54 1.66 0.00 2.84 0.00 0.00 3.02 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 111 H 7.79 4.81 0.00 3.18 3.46 0.00 5.61 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 0.00 112 Q 7.80 4.73 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 113 S 8.60 4.85 0.00 3.82 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 0.00 114 V 8.67 4.06 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 0.40 0.00 0.00 0.60 0.00 0.00 115 I 7.61 4.01 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.90 0.00 0.00 116 A 8.38 4.00 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 0.00 117 P 0.00 4.31 0.00 2.09 2.18 0.00 3.82 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 2.09 2.17 0.00 118 V 7.66 4.16 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 0.71 0.00 0.00 1.08 0.00 0.00 119 A 7.43 4.58 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 0.00 120 K 8.80 4.04 0.00 1.95 1.90 0.00 2.04 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.70 7.81 121 G 7.20 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 0.00 0.00 0.00 122 Q 8.42 5.18 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 123 I 8.65 4.58 1.77 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 1.04 0.53 0.86 0.00 0.00 124 V 8.29 4.68 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 0.53 0.00 0.00 0.85 0.00 0.00 125 G 8.98 3.93 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 0.00 0.00 0.00 126 L 7.68 4.40 0.00 1.62 1.68 0.92 0.90 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 0.00 127 G 8.10 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 0.00 128 A 8.48 4.30 1.44 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 0.00 0.00 129 E 8.48 4.09 0.00 2.14 2.20 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 2.42 2.49 0.00 130 G 7.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.03 4.11 0.00 3.20 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.96 3.74 0.00 2.04 1.88 0.00 1.94 0.00 0.00 2.04 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.15 1.50 7.81 133 L 8.31 4.05 0.00 1.67 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.16 3.96 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 0.00 135 V 7.80 3.28 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 1.24 0.00 0.00 0.91 0.00 0.00 136 R 8.56 4.05 0.00 2.16 2.08 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 137 Y 7.91 4.07 0.00 2.91 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 0.00 138 L 8.09 3.88 0.00 1.62 0.95 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.99 4.22 0.00 1.86 1.83 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.94 4.27 0.00 3.99 4.13 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 0.00 141 Q 7.52 4.15 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.58 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00