NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4125 8.1927 115.2910 57.9858 63.7504 174.2885 4 S 3.9697 8.6535 122.3772 60.9783 62.1864 174.7244 5 I 3.7102 8.4497 123.4538 64.4451 37.3059 177.9867 6 R 3.8771 8.0746 118.9012 59.2930 29.8566 178.9738 7 E 3.9993 8.3018 118.4388 59.3955 29.3969 179.0626 8 E 3.9575 8.1892 119.4906 59.0132 29.6749 179.0205 9 V 3.5418 7.9449 118.6808 66.4191 31.7383 177.8532 10 H 4.2932 8.4340 116.2186 58.8361 28.4341 178.0574 11 R 3.9821 8.2529 120.1208 59.2604 29.7841 178.5751 12 H 4.1002 8.4270 118.1437 59.4161 29.7375 177.3485 13 L 4.0592 7.9408 119.3999 57.7223 41.8198 179.4784 14 G 3.7481 8.0382 105.2591 47.7765 0.0000 176.1683 15 T 4.0209 8.0542 118.2130 66.5036 68.5163 177.3441 16 V 3.6525 7.9869 113.9716 63.9501 31.5564 178.3647 17 A 4.0443 7.6142 119.6631 55.0019 17.9037 179.5779 18 L 4.0353 7.8598 116.8635 57.5004 41.6917 178.4771 19 M 4.4809 7.5128 116.2562 53.7270 32.2795 175.8675 20 Q 3.9454 7.2543 121.1793 55.6939 29.4775 174.8045 21 P 4.3745 0.0000 0.0000 63.0300 32.0301 175.2905 22 A 4.4775 8.0580 122.1719 51.4052 21.8286 176.3017 23 L 4.3252 8.3102 120.1982 53.6525 41.3909 176.4357 24 H 4.4668 8.6033 124.8346 54.6108 29.4491 174.5259 25 Q 4.3876 8.1460 129.4168 54.0085 28.5950 175.0207 26 Q 4.0683 8.4772 124.8548 55.8754 29.4414 176.1464 27 T 4.5728 8.2695 111.9231 60.3880 70.5123 174.4602 28 H 4.6083 8.4040 123.3817 54.7081 29.3749 172.8883 29 A 3.6835 8.0939 127.1430 52.2953 15.9526 175.6508 30 P 4.3669 0.0000 0.0000 61.6028 32.7908 177.1527 31 A 4.2901 8.2465 122.9944 51.2147 19.3838 177.0251 32 P 4.2843 0.0000 0.0000 65.8506 31.4693 178.8708 33 T 4.1151 7.8908 106.2063 63.3307 68.8618 174.5539 34 E 4.3668 8.2671 121.1139 56.3086 30.0849 175.6372 35 I 4.3488 7.4129 121.1402 59.9024 37.8197 176.3506 36 T 4.4184 8.2054 116.7774 60.8250 71.4537 174.9625 37 H 4.1962 8.6357 119.7179 59.6167 29.8249 177.0322 38 T 3.8388 7.9491 117.1318 66.7742 68.3030 176.4084 39 L 3.9522 7.9737 120.6826 57.4664 41.6602 179.2161 40 F 4.1022 8.6446 121.0961 61.4422 39.1358 177.2262 41 R 3.9628 8.2444 117.1054 59.3167 30.0428 178.0401 42 A 4.0399 7.8621 120.6987 55.3152 18.1325 179.2793 43 Y 4.2458 8.1040 115.0512 60.6246 37.9862 177.4373 44 T 4.3108 7.4205 108.4594 60.4702 69.3707 175.0675 45 R 3.9373 6.7349 116.9568 56.5624 30.1573 176.1916 46 V 3.9775 8.0031 118.4902 60.8351 31.9015 174.5266 47 P 4.0607 0.0000 0.0000 65.9756 31.1582 177.4391 48 H 4.4288 6.9802 111.5929 56.9284 28.7025 175.8157 49 D 4.5479 7.7082 121.2075 53.1917 39.3128 175.6900 50 V 4.8245 7.1855 113.3765 59.4005 33.3207 176.2109 51 G 3.8807 7.9891 109.7768 47.3594 0.0000 173.8687 52 G 4.0049 8.9574 113.2238 45.1371 0.0000 173.5966 53 E 4.0833 8.0591 119.9779 55.7842 30.0897 176.3831 54 A 4.3347 8.3240 125.7763 52.5025 19.1144 176.1534 55 D 4.5987 8.1249 119.2359 53.3928 44.2455 174.8602 56 V 4.1601 7.8995 116.0289 59.3028 33.1543 174.0886 57 P 4.4702 0.0000 0.0000 62.0075 31.9109 176.1873 58 I 4.3420 7.4078 114.9458 58.5695 40.2722 175.2897 59 E 3.9773 8.3905 123.1982 55.3340 28.4989 175.7702 60 Y 4.3293 8.0489 124.1811 58.4729 38.4963 175.9106 61 H 5.0579 8.4105 118.2396 53.7389 31.6680 172.7815 62 E 4.5493 8.4587 119.5211 55.0531 31.1342 175.6735 63 K 4.5952 8.0073 120.2276 54.4819 35.2861 175.9478 64 E 4.1119 8.6319 125.2682 56.2959 30.1185 176.3341 65 E 4.2850 8.3646 121.8928 55.8157 30.7772 176.6497 66 E 4.2658 8.7914 123.2525 55.6618 30.7247 177.9892 67 I 3.7325 8.4924 122.9793 64.3730 37.1705 178.8461 68 W 4.8906 8.2909 118.2693 58.9700 27.9606 178.2090 69 E 2.9008 7.0713 119.5510 58.7269 28.6922 179.1020 70 L 3.8178 7.4068 118.5369 57.8119 41.7454 179.1714 71 N 4.4478 8.3253 116.4661 56.5313 38.4047 177.7069 72 T 4.0646 8.1896 117.3419 66.5323 68.6064 176.4956 73 F 4.2253 8.2385 122.4378 61.3402 39.3289 176.9946 74 A 3.9408 8.1199 120.3564 55.4429 18.1493 179.7004 75 T 3.8829 8.1773 114.2205 67.0874 68.4327 176.6736 76 C 4.6218 8.5546 118.7133 63.1465 28.2693 176.1129 77 E 4.1095 8.2973 120.1807 59.4967 28.9750 179.1872 78 C 4.6652 8.6279 117.3146 62.8232 28.0922 176.0698 79 L 3.9290 8.3884 120.5925 57.5594 41.1264 179.4998 80 A 5.1426 8.1848 122.0856 54.5310 18.2223 179.1764 81 W 4.4679 8.6409 126.1191 60.8103 30.7214 177.4701 82 R 4.3682 7.9906 115.0911 55.7606 29.7204 177.3311 83 G 3.9928 8.0735 105.9475 45.9646 0.0000 175.5819 84 V 3.6889 8.1149 121.5232 65.1670 31.8362 175.7157 85 W 5.0878 7.9272 114.5575 54.9429 30.5915 173.0340 86 T 4.7743 8.6995 109.8880 60.1063 71.5075 175.5800 87 A 3.6146 8.2157 122.8847 55.1041 18.3307 179.8886 88 E 3.7948 7.9477 116.9221 59.4566 29.5665 179.1143 89 E 3.9319 7.7660 118.3015 59.1556 29.4803 179.3140 90 R 3.0043 7.0638 118.4535 59.1020 29.9576 178.6278 91 R 3.5869 7.6903 118.0334 59.2299 29.9939 178.9480 92 R 3.7565 7.7755 118.1964 59.4541 29.6367 178.7674 93 K 4.2209 7.8740 119.5698 58.7849 31.7387 179.2712 94 Q 4.1376 8.5311 121.4733 58.0914 28.7023 176.9225 95 N 4.9575 8.5585 115.5088 53.4097 39.1905 175.4078 96 C 4.1536 7.4742 115.7901 61.3531 30.6516 176.0015 97 D 4.4187 8.2208 119.2046 57.3007 40.5400 179.4586 98 V 3.6722 7.0965 111.5078 62.4950 31.9137 177.6080 99 G 4.1148 8.1543 104.5182 45.7423 0.0000 173.9648 100 Q 4.0394 8.8298 120.5482 59.6966 28.7500 179.4225 101 T 3.9547 7.9233 115.6511 66.9110 68.6542 176.7432 102 V 3.6215 7.8157 119.5101 66.0025 31.5080 176.9948 103 Y 4.1996 8.3319 119.5435 60.1877 38.3829 177.4667 104 L 4.5558 7.7037 116.8484 54.8234 43.2070 178.2703 105 G 3.8255 8.3436 105.4143 45.6407 0.0000 173.8225 106 M 4.6060 7.2012 119.3166 52.8601 34.2443 174.0271 107 P 4.5930 0.0000 0.0000 62.2800 32.2509 176.5643 108 Y 4.1832 8.7878 120.8208 62.0739 38.4628 178.4968 109 Y 4.4572 8.3180 116.3380 60.1571 38.0996 178.3439 110 G 3.9311 8.5138 107.7142 47.9354 0.0000 176.1337 111 R 4.1048 8.2011 119.9946 58.6923 30.2936 178.8736 112 W 4.4470 8.2132 120.2258 59.1826 29.1241 178.3358 113 L 4.2362 8.7132 120.2637 58.3717 41.6003 178.8865 114 L 4.0910 8.3193 119.0249 58.3243 41.6538 179.7367 115 T 4.0729 8.3503 115.3268 66.2415 67.8845 176.8776 116 A 4.0049 8.2128 122.7649 55.0178 18.2935 179.5247 117 A 3.9873 8.1441 119.4344 55.1643 18.4376 179.7980 118 R 3.8561 8.1610 117.3923 59.7120 30.1926 178.6707 119 I 3.8395 7.8970 118.3355 63.8742 37.8521 177.8272 120 L 4.0975 7.4897 119.0196 57.6366 41.4169 179.6456 121 V 3.8888 7.4485 119.5235 65.4612 31.3772 177.9193 122 D 4.4107 8.3791 117.7651 56.7043 40.6471 177.8952 123 K 4.1816 7.6734 116.4563 55.1082 32.2342 176.4053 124 Q 3.4520 7.5635 116.5743 56.9318 26.7627 175.2136 125 F 4.4877 7.8663 118.5518 59.7870 39.0569 176.5091 126 V 4.6848 7.3650 112.3956 58.8336 35.7294 174.6734 127 T 4.2194 8.8337 113.8123 60.8799 71.2684 175.8864 128 L 3.9035 8.2713 122.9807 58.5028 42.0387 179.2662 129 T 3.8547 7.7972 115.3808 66.6881 68.4132 176.1881 130 E 4.0211 8.2209 120.4698 59.1155 29.4414 179.2759 131 L 3.9326 7.6719 119.9399 58.4503 42.2313 178.6031 132 H 4.2449 8.5114 116.5669 59.1588 28.6127 177.5216 133 N 4.3556 8.6100 118.5668 56.2160 38.2663 177.4011 134 K 3.9402 8.2733 121.0720 59.4966 32.2741 178.9925 135 I 3.6815 7.9128 120.1873 64.2144 37.0019 178.5146 136 V 3.5577 7.7937 119.1279 66.0329 31.3330 177.6793 137 E 3.9336 8.3861 119.1345 59.5639 29.4491 178.6762 138 M 4.0628 8.3297 118.9628 58.5288 32.0350 179.0060 139 R 3.9514 8.0663 118.2064 59.2629 30.1937 179.0179 140 E 4.0068 8.2511 118.5551 59.0688 29.1404 179.2831 141 R 3.8578 8.0901 119.0435 59.3570 30.0496 178.7475 142 V 3.5954 7.7962 117.7120 66.1290 31.3909 177.9365 143 A 4.0311 7.9117 119.1175 54.8361 18.2486 179.1485 144 S 4.3378 7.9846 111.5611 59.4898 63.6132 175.4696 145 G 3.9389 7.8815 111.4685 45.4008 0.0000 174.8114 146 Q 3.8594 7.5276 120.5801 56.9422 29.2805 177.2754 147 G 4.0634 8.8956 101.3518 45.9194 0.0000 173.2962 148 L 4.5699 8.8305 120.7177 53.6266 43.5098 177.3470 149 G 3.7149 8.3739 118.9929 46.5617 0.0000 171.9783 150 E 4.1820 8.2982 120.8535 56.9438 30.4295 177.2899 151 Y 4.3989 7.8361 118.9188 60.4101 38.6568 175.2533 152 L 4.9640 7.6217 122.0736 52.9705 45.2550 173.7381 153 P 4.8009 0.0000 0.0000 61.7229 32.4618 174.4220 154 P 4.6392 0.0000 0.0000 62.6203 32.1423 176.6266 155 K 4.1438 8.6553 121.4246 57.2473 32.6489 176.8067 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 3 S 8.19 4.41 0.00 3.87 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 4 S 8.65 3.97 0.00 4.01 3.84 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 5 I 8.45 3.71 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 1.63 0.50 0.89 0.00 0.00 6 R 8.07 3.88 0.00 1.86 2.02 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 7 E 8.30 4.00 0.00 2.19 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 2.35 2.47 0.00 8 E 8.19 3.96 0.00 2.05 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 0.00 2.29 2.32 0.00 9 V 7.94 3.54 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 0.85 0.00 0.00 0.93 0.00 0.00 10 H 8.43 4.29 0.00 3.21 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.25 3.98 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 12 H 8.43 4.10 0.00 3.34 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.94 4.06 0.00 1.83 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.04 3.75 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 0.00 0.00 0.00 15 T 8.05 4.02 4.30 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 1.20 0.00 0.00 16 V 7.99 3.65 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 0.57 0.00 0.00 0.95 0.00 0.00 17 A 7.61 4.04 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 18 L 7.86 4.04 0.00 1.72 1.74 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.51 4.48 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 20 Q 7.25 3.95 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.37 0.00 2.08 1.97 0.00 3.76 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 2.03 2.08 0.00 22 A 8.06 4.48 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.31 4.33 0.00 1.65 1.67 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.60 4.47 0.00 3.08 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.15 4.39 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 26 Q 8.48 4.07 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 27 T 8.27 4.57 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 1.32 0.00 0.00 28 H 8.40 4.61 0.00 3.09 3.25 0.00 6.04 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 29 A 8.09 3.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.37 0.00 2.05 2.01 0.00 3.60 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 2.09 0.00 31 A 8.25 4.29 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 32 P 0.00 4.28 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 33 T 7.89 4.12 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 34 E 8.27 4.37 0.00 2.14 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 2.29 2.42 0.00 35 I 7.41 4.35 2.08 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 1.56 0.88 1.14 0.00 0.00 36 T 8.21 4.42 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 1.25 0.00 0.00 37 H 8.64 4.20 0.00 3.20 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.95 3.84 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 1.20 0.00 0.00 39 L 7.97 3.95 0.00 1.99 1.92 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.64 4.10 0.00 3.29 3.20 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 0.00 41 R 8.24 3.96 0.00 1.77 2.03 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 A 7.86 4.04 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 43 Y 8.10 4.25 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.42 4.31 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 45 R 6.73 3.94 0.00 1.94 2.14 0.00 3.09 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 46 V 8.00 3.98 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 0.76 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.06 0.00 1.54 1.80 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 48 H 6.98 4.43 0.00 3.36 3.36 0.00 5.57 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 49 D 7.71 4.55 0.00 2.68 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 50 V 7.19 4.82 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 1.21 0.00 0.00 1.00 0.00 0.00 51 G 7.99 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 52 G 8.96 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 0.00 0.00 0.00 53 E 8.06 4.08 0.00 2.17 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 2.33 2.35 0.00 54 A 8.32 4.33 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 55 D 8.12 4.60 0.00 2.62 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 56 V 7.90 4.16 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.47 0.00 1.97 1.90 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 58 I 7.41 4.34 1.72 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 0.89 -0.05 0.82 0.00 0.00 59 E 8.39 3.98 0.00 1.88 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 2.28 2.30 0.00 60 Y 8.05 4.33 0.00 3.01 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 61 H 8.41 5.06 0.00 3.17 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.46 4.55 0.00 1.97 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 2.25 2.21 0.00 63 K 8.01 4.60 0.00 1.68 1.58 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.43 7.81 64 E 8.63 4.11 0.00 1.97 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 2.31 0.00 65 E 8.36 4.28 0.00 1.84 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 2.18 2.23 0.00 66 E 8.79 4.27 0.00 1.20 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 67 I 8.49 3.73 2.13 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 1.69 0.91 0.88 0.00 0.00 68 W 8.29 4.89 0.00 3.53 3.27 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 69 E 7.07 2.90 0.00 1.49 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 70 L 7.41 3.82 0.00 1.75 1.67 0.86 0.66 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 71 N 8.33 4.45 0.00 3.11 3.01 0.00 0.00 7.04 6.46 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 72 T 8.19 4.06 4.38 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 1.65 0.00 0.00 73 F 8.24 4.23 0.00 2.84 3.11 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 0.00 0.00 0.00 0.00 74 A 8.12 3.94 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 75 T 8.18 3.88 4.54 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 1.29 0.00 0.00 76 C 8.55 4.62 0.00 3.55 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 77 E 8.30 4.11 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 78 C 8.63 4.67 0.00 3.25 3.04 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 79 L 8.39 3.93 0.00 2.00 1.32 0.58 0.45 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 80 A 8.18 5.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.64 4.47 0.00 3.26 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 82 R 7.99 4.37 0.00 1.67 1.72 0.00 3.02 0.00 0.00 2.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 83 G 8.07 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 84 V 8.11 3.69 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 0.47 0.00 0.00 0.46 0.00 0.00 85 W 7.93 5.09 0.00 3.62 3.16 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 86 T 8.70 4.77 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 1.26 0.00 0.00 87 A 8.22 3.61 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 88 E 7.95 3.79 0.00 1.93 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 2.34 2.30 0.00 89 E 7.77 3.93 0.00 2.21 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 2.36 2.33 0.00 90 R 7.06 3.00 0.00 0.67 1.20 0.00 2.60 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.70 0.00 91 R 7.69 3.59 0.00 1.86 1.85 0.00 3.33 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 92 R 7.78 3.76 0.00 1.78 2.01 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 93 K 7.87 4.22 0.00 2.04 1.92 0.00 1.92 0.00 0.00 2.03 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 94 Q 8.53 4.14 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 95 N 8.56 4.96 0.00 2.72 2.88 0.00 0.00 6.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.47 4.15 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.22 4.42 0.00 2.92 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 98 V 7.10 3.67 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 0.80 0.00 0.00 1.14 0.00 0.00 99 G 8.15 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.83 4.04 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.92 3.95 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 1.25 0.00 0.00 102 V 7.82 3.62 2.33 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.33 4.20 0.00 3.27 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.70 4.56 0.00 1.64 1.68 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.34 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 0.00 0.00 0.00 106 M 7.20 4.61 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 107 P 0.00 4.59 0.00 2.47 2.14 0.00 3.78 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 2.30 2.19 0.00 108 Y 8.79 4.18 0.00 2.98 2.87 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 0.00 109 Y 8.32 4.46 0.00 3.12 2.74 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 0.00 110 G 8.51 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 0.00 111 R 8.20 4.10 0.00 2.11 2.05 0.00 3.28 0.00 0.00 3.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 112 W 8.21 4.45 0.00 3.76 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 0.00 113 L 8.71 4.24 0.00 2.19 2.15 1.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.32 4.09 0.00 1.84 1.78 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.35 4.07 4.57 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 1.44 0.00 0.00 116 A 8.21 4.00 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 0.00 117 A 8.14 3.99 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 0.00 118 R 8.16 3.86 0.00 2.16 2.22 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 119 I 7.90 3.84 1.55 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.94 0.06 0.00 0.00 120 L 7.49 4.10 0.00 1.92 1.73 0.89 0.63 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 0.00 121 V 7.45 3.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.97 0.00 0.00 122 D 8.38 4.41 0.00 2.72 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 0.00 123 K 7.67 4.18 0.00 1.81 1.20 0.00 2.09 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.46 7.81 124 Q 7.56 3.45 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 7.87 4.49 0.00 3.16 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 0.00 126 V 7.37 4.68 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 0.95 0.00 0.00 0.93 0.00 0.00 127 T 8.83 4.22 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 1.19 0.00 0.00 128 L 8.27 3.90 0.00 1.70 1.61 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.80 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 130 E 8.22 4.02 0.00 2.18 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 2.31 0.00 131 L 7.67 3.93 0.00 1.75 1.80 0.93 1.20 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 0.00 132 H 8.51 4.24 0.00 3.32 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.61 4.36 0.00 2.88 2.87 0.00 0.00 6.71 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 0.00 134 K 8.27 3.94 0.00 1.98 1.98 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.91 3.68 2.03 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 1.39 0.74 0.89 0.00 0.00 136 V 7.79 3.56 2.24 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 0.99 0.00 0.00 0.98 0.00 0.00 137 E 8.39 3.93 0.00 2.13 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 2.31 2.50 0.00 138 M 8.33 4.06 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 139 R 8.07 3.95 0.00 2.01 1.96 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 140 E 8.25 4.01 0.00 2.19 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 2.48 0.00 141 R 8.09 3.86 0.00 2.18 2.07 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 142 V 7.80 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 143 A 7.91 4.03 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 0.00 144 S 7.98 4.34 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 145 G 7.88 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 0.00 146 Q 7.53 3.86 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 147 G 8.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.83 4.57 0.00 1.68 1.63 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.37 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 0.00 0.00 0.00 150 E 8.30 4.18 0.00 1.91 1.91 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 1.66 1.76 0.00 151 Y 7.84 4.40 0.00 3.31 3.04 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 0.00 152 L 7.62 4.96 0.00 1.80 1.54 0.95 0.96 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 0.00 153 P 0.00 4.80 0.00 2.12 2.04 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 154 P 0.00 4.64 0.00 1.96 2.04 0.00 3.68 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 2.03 2.27 0.00 155 K 8.66 4.14 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81