NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4657 8.3049 118.2000 54.6726 32.5762 174.7559 2 I 3.8462 8.1283 121.1405 60.7753 37.8158 174.4319 3 I 4.2182 9.5484 128.3658 60.8368 38.4319 175.6906 4 E 4.8996 8.6922 124.4568 56.1871 31.8769 176.1927 5 R 4.9778 7.7365 116.1933 54.0597 34.1357 175.4075 6 L 4.3280 8.6346 122.0711 54.1218 42.5521 177.2707 7 V 4.2997 8.1343 119.7323 61.7386 31.9177 176.1801 8 G 3.8388 8.2441 111.4011 45.5249 0.0000 170.6763 9 N 5.3415 8.3228 116.7205 51.6974 42.1952 176.3812 10 L 3.7622 8.6622 123.6191 57.5511 42.2509 180.2977 11 R 3.9778 9.2930 116.3657 59.0964 29.6698 179.1142 12 D 4.5699 8.1190 117.0085 55.5787 38.6462 177.3500 13 L 3.4370 8.0593 117.6869 55.8823 41.8928 177.5127 14 N 4.4913 8.6487 117.3805 53.5271 34.3587 172.6332 15 P 4.4789 0.0000 0.0000 61.8329 32.1628 176.9478 16 L 3.7596 9.0965 113.5975 56.4001 38.2147 173.6182 17 D 4.7043 8.5800 122.3352 54.0057 40.0437 174.5454 18 F 5.0250 7.6090 114.5726 55.5916 43.4068 175.3605 19 S 4.4688 9.4248 117.6641 57.5272 62.5068 172.6635 20 V 4.5199 8.2602 127.3190 61.7191 32.0724 174.2326 21 D 4.9907 9.3416 128.6894 53.0275 43.6415 174.7003 22 H 5.3861 8.6494 120.4757 54.0256 32.7796 172.8266 23 V 4.3392 8.4244 121.6760 61.6288 33.0104 174.4244 24 D 5.0609 8.6109 128.5993 53.3354 41.5395 175.8039 25 L 4.7323 8.8806 124.3773 52.6342 44.7780 176.6908 26 E 4.2078 8.7279 121.9420 55.1629 30.2090 178.0485 27 W 4.2823 8.6442 118.6025 59.6934 27.9876 177.5969 28 F 3.8557 6.0837 110.5222 57.0554 37.5234 175.3207 29 E 4.5845 7.6128 120.9081 56.5372 30.5652 177.7429 30 T 3.9811 7.7464 109.9279 63.8124 69.0977 175.9979 31 R 4.5269 7.8363 119.3316 55.6713 30.4560 176.3929 32 K 4.2280 7.7423 118.7546 56.6646 32.8360 176.6515 33 K 4.4926 8.7649 121.0211 57.0075 35.1218 175.7583 34 I 5.4390 7.7348 119.8192 59.0511 39.0795 175.0020 35 A 4.2987 8.0159 126.8795 50.9951 22.6584 174.3076 36 R 4.7200 7.8812 118.9316 54.5587 32.6625 174.5525 37 F 5.1805 9.1204 123.7853 55.6004 43.7426 173.4001 38 K 5.1263 8.6682 121.1049 54.8780 34.4553 176.0386 39 T 4.3958 8.9596 117.7038 60.6091 69.9576 175.6289 40 R 3.8645 8.8967 122.4803 59.3582 30.0052 177.1857 41 Q 4.2208 8.3170 114.4513 55.9799 28.8575 176.4192 42 G 3.9380 8.2460 106.6374 45.2462 0.0000 173.8148 43 K 4.2397 8.0657 119.4976 55.5891 32.9193 175.8223 44 D 5.2408 8.4083 123.0421 53.9097 41.8120 175.8333 45 I 4.8145 8.8408 115.2834 59.0993 41.6988 173.9061 46 A 5.1367 8.5132 124.5921 50.1782 22.3617 174.6624 47 I 4.7986 8.7560 116.4673 59.4110 40.5321 175.2513 48 R 5.2926 8.8683 123.6275 53.9995 31.2831 173.2672 49 L 4.5433 9.1322 122.6501 54.5533 42.5169 176.3318 50 K 4.5059 8.9123 123.3494 55.1906 34.2927 176.1064 51 D 4.2978 8.7582 122.2912 54.9807 38.5780 174.0595 52 A 4.1787 7.8015 119.3588 51.3910 19.7012 176.3378 53 P 4.3462 0.0000 0.0000 62.9435 32.1051 178.3963 54 K 3.9747 8.9257 125.0960 57.7913 31.7393 175.6316 55 L 4.0189 7.9113 118.3381 56.6756 41.6540 176.5456 56 G 3.9160 7.5655 102.7667 43.5538 0.0000 173.3380 57 L 4.1982 8.7071 120.0793 54.9919 42.1083 177.6072 58 S 4.9017 9.2787 119.4424 56.1038 65.3019 173.4193 59 Q 4.2028 8.9147 123.8120 58.3213 28.9395 177.3912 60 G 3.9884 9.4450 114.4460 44.9365 0.0000 172.6363 61 D 4.6356 8.0379 120.7786 54.8894 42.1293 175.5040 62 I 4.6458 8.6337 124.5363 60.4441 38.1229 176.3462 63 L 4.7600 8.8788 127.0816 55.4772 43.2906 176.7902 64 F 4.7696 7.9032 120.4712 56.7715 43.0829 173.3297 65 K 4.6759 7.6554 129.8006 56.3615 34.1019 175.5125 66 E 4.4444 9.1208 127.0588 55.7134 34.2628 173.7091 67 E 3.8278 8.5994 121.3369 56.4014 29.2187 173.2398 68 K 4.3872 8.8153 119.5430 58.2734 32.5674 175.0771 69 E 4.9816 8.6018 122.6995 55.4088 30.9407 175.0055 70 I 5.1424 8.7982 127.3233 59.5636 41.2326 174.3762 71 I 5.0473 8.8749 126.3497 59.6003 39.6776 174.6589 72 A 5.2117 8.7545 127.8331 49.7981 23.2663 174.7451 73 V 4.2024 8.7517 119.9873 62.4465 33.0846 174.3432 74 N 5.3362 9.0973 126.7918 51.8854 41.3873 172.9109 75 I 4.7138 9.0628 127.7441 59.8751 38.4173 175.7594 76 L 4.2626 8.7214 128.2390 54.2412 42.2178 176.9324 77 D 4.7826 8.7395 122.5376 55.4395 41.7430 175.6320 78 S 4.7946 9.1059 115.2116 56.9026 67.7578 172.5931 79 E 4.6296 8.9067 119.5244 56.2454 30.3091 176.2674 80 V 4.6996 9.1344 125.2966 60.9127 34.9354 174.4831 81 I 4.4566 8.8119 129.5094 61.2454 38.2351 174.7453 82 H 5.0509 9.5842 126.4755 54.9816 30.1036 174.5676 83 I 4.8084 9.2286 125.5094 59.8253 39.2888 174.7406 84 Q 5.0015 9.0472 128.6192 54.2355 30.0738 174.9245 85 A 4.6543 9.3298 131.5150 52.4684 19.1654 177.8906 86 K 4.2512 9.6203 120.7022 54.5284 33.6210 177.6004 87 S 4.5012 7.3149 111.0686 57.0666 66.6310 175.6514 88 V 3.8376 8.5071 121.1357 66.2026 31.2802 177.6452 89 A 3.9966 8.1059 120.0755 55.2848 18.1169 179.1022 90 E 3.9293 8.3251 117.8008 59.1245 29.6705 178.8848 91 V 3.5771 8.0921 118.2485 66.0488 31.5431 177.7038 92 A 3.9550 8.1792 120.2993 55.1260 18.2116 179.4596 93 K 3.9131 8.0103 117.8823 59.7088 32.2631 178.8355 94 I 3.6639 7.9942 120.2922 64.8997 37.0372 178.3528 95 C 3.9969 8.1162 117.3934 62.5586 27.8644 175.6327 96 Y 4.0796 8.1469 121.3100 60.8891 38.3298 178.0109 97 E 3.8306 8.3962 119.5792 59.3455 29.6460 179.5011 98 I 3.7776 7.9984 120.2104 64.1810 37.1633 178.5842 99 G 3.5890 8.1523 106.7893 47.8754 0.0000 175.2205 100 N 4.0963 7.6138 118.3082 56.2074 39.0066 176.6506 101 R 3.9848 7.4126 117.5195 56.3346 30.4811 176.0107 102 H 4.0481 7.5856 114.6098 56.6633 26.8675 174.4068 103 A 4.6885 7.5579 118.9261 50.5143 20.1027 178.4025 104 A 4.1682 8.5722 122.1795 52.3052 19.5477 176.9176 105 L 4.9200 8.0459 121.2137 53.7904 46.0633 174.4024 106 Y 5.0687 9.1758 122.7107 55.9793 42.0753 174.6159 107 Y 4.3942 8.9372 121.5081 58.7104 38.6564 176.7779 108 G 4.1083 8.1526 113.6413 45.9343 0.0000 173.7469 109 E 4.2498 8.9094 115.0646 57.7952 30.3018 172.0386 110 S 4.7882 7.4352 110.3776 56.5008 66.4230 174.6107 111 Q 3.7162 8.6904 118.5329 58.6089 28.3468 178.2238 112 F 4.9249 8.0821 113.3672 57.0645 39.8692 173.9472 113 E 5.2185 7.7798 121.7265 54.8009 31.6149 175.1804 114 F 5.3110 9.0709 121.2871 55.7926 44.1756 173.6983 115 K 5.1003 9.3914 119.8682 55.0593 35.8656 175.3958 116 T 4.9000 8.6713 117.5659 59.4400 71.2116 171.2449 117 P 4.3268 0.0000 0.0000 62.6064 32.1626 175.8334 118 F 4.5663 9.0666 127.2186 58.4035 39.8721 174.3819 119 E 3.8828 8.2747 123.0997 52.9947 32.6865 176.0967 120 K 3.9462 8.2787 121.5071 59.6016 32.4766 177.4083 121 P 4.2055 0.0000 0.0000 66.1905 31.0925 178.5543 122 T 3.8992 7.7493 115.1606 65.9326 68.3987 176.3455 123 L 3.9947 8.0755 122.1038 58.0005 42.0996 178.7206 124 A 3.9707 8.5125 121.0649 55.1488 18.2291 179.0190 125 L 3.8740 8.2850 119.1305 58.7211 42.0639 179.4202 126 L 4.0790 8.0373 118.4793 57.5646 41.5040 179.4680 127 E 3.9460 8.2856 118.8013 59.3515 29.2711 178.9891 128 K 4.0498 8.0979 118.6104 59.0669 32.1535 177.5275 129 L 4.5764 7.4879 116.1310 53.3963 42.0326 176.6088 130 G 3.8879 8.2149 107.2146 46.3836 0.0000 173.7332 131 V 4.0109 8.0210 120.2400 61.5086 32.4793 175.6054 132 Q 4.2914 8.7198 129.7267 56.4334 29.8936 174.4785 133 N 5.5591 8.5681 122.3151 52.1627 40.9481 173.5790 134 R 4.5977 8.9104 119.2476 55.0037 34.0215 173.6360 135 V 4.6599 8.4002 126.4519 62.0157 32.4757 174.8273 136 L 4.8842 8.8904 127.0372 52.8099 46.5224 175.4704 137 S 4.9663 8.5924 116.2942 58.1398 63.1534 173.1757 138 S 4.5589 9.0732 121.2658 57.7541 66.8841 172.8206 139 K 4.5172 8.4726 121.3201 55.2585 32.9754 176.7594 140 L 3.9203 8.3038 128.3132 53.0098 40.6129 174.2808 141 D 4.5697 8.0789 122.6463 53.5193 42.1992 177.4036 142 S 4.4695 9.0663 123.0214 61.5380 63.0747 176.6413 143 K 4.1329 7.6382 118.1739 59.0959 32.5987 177.4798 144 E 4.5820 8.3548 118.3879 56.3913 29.9744 175.8104 145 R 3.7498 7.7165 120.4726 55.9343 30.8453 175.8484 146 L 4.3291 8.1887 126.6114 54.3327 42.2458 177.0311 147 T 4.2983 8.5557 114.6853 61.2919 70.0306 174.2272 148 V 4.3954 8.2809 122.9122 60.0008 33.5966 175.8123 149 S 4.3331 8.6058 118.8851 58.6251 63.2346 173.8217 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 8.30 4.47 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 2 I 8.13 3.85 1.89 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 1.42 0.16 0.92 0.00 0.00 3 I 9.55 4.22 1.94 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 1.44 0.74 1.05 0.00 0.00 4 E 8.69 4.90 0.00 1.92 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 2.48 2.17 0.00 5 R 7.74 4.98 0.00 1.63 1.76 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 6 L 8.63 4.33 0.00 1.53 1.60 0.93 0.85 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 7 V 8.13 4.30 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 0.71 0.00 0.00 0.88 0.00 0.00 8 G 8.24 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 0.00 0.00 0.00 9 N 8.32 5.34 0.00 2.67 2.58 0.00 0.00 7.63 6.33 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 10 L 8.66 3.76 0.00 1.72 1.71 0.93 0.93 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 11 R 9.29 3.98 0.00 1.95 2.22 0.00 2.78 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 12 D 8.12 4.57 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.06 3.44 0.00 1.73 1.68 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.65 4.49 0.00 3.04 2.95 0.00 0.00 7.01 8.02 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 15 P 0.00 4.48 0.00 2.07 2.11 0.00 4.09 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 2.05 2.14 0.00 16 L 9.10 3.76 0.00 1.80 1.86 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.58 4.70 0.00 2.75 2.18 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 18 F 7.61 5.02 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.42 4.47 0.00 3.91 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 20 V 8.26 4.52 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 0.64 0.00 0.00 0.97 0.00 0.00 21 D 9.34 4.99 0.00 2.78 2.57 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 22 H 8.65 5.39 0.00 3.12 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.42 4.34 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 0.52 0.00 0.00 0.89 0.00 0.00 24 D 8.61 5.06 0.00 2.54 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 25 L 8.88 4.73 0.00 1.35 1.31 0.67 -0.05 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 26 E 8.73 4.21 0.00 1.16 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 1.99 1.88 0.00 27 W 8.64 4.28 0.00 3.62 3.34 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 28 F 6.08 3.86 0.00 2.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 4.58 0.00 1.97 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 2.25 1.64 0.00 30 T 7.75 3.98 4.46 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 0.00 0.00 0.00 1.31 0.00 0.00 31 R 7.84 4.53 0.00 1.87 2.03 0.00 3.25 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 32 K 7.74 4.23 0.00 1.99 1.82 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 33 K 8.76 4.49 0.00 1.69 1.82 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 I 7.73 5.44 1.84 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 0.59 0.87 0.00 0.00 35 A 8.02 4.30 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.88 4.72 0.00 1.64 1.60 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 37 F 9.12 5.18 0.00 3.03 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 38 K 8.67 5.13 0.00 1.76 1.69 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.40 7.81 39 T 8.96 4.40 4.52 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 1.24 0.00 0.00 40 R 8.90 3.86 0.00 1.86 2.02 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 41 Q 8.32 4.22 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 42 G 8.25 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 43 K 8.07 4.24 0.00 1.72 1.62 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.46 7.81 44 D 8.41 5.24 0.00 2.53 2.57 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 45 I 8.84 4.81 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.82 0.00 0.00 46 A 8.51 5.14 1.19 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 0.00 0.00 47 I 8.76 4.80 1.94 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 1.40 1.01 1.05 0.00 0.00 48 R 8.87 5.29 0.00 1.73 1.84 0.00 3.12 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 49 L 9.13 4.54 0.00 1.51 1.63 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.91 4.51 0.00 1.60 1.71 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.54 7.81 51 D 8.76 4.30 0.00 2.77 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 52 A 7.80 4.18 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 53 P 0.00 4.35 0.00 2.38 2.01 0.00 3.64 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 2.13 2.10 0.00 54 K 8.93 3.97 0.00 1.77 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.05 7.81 55 L 7.91 4.02 0.00 1.66 1.99 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.57 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.71 4.20 0.00 1.59 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.28 4.90 0.00 3.93 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 59 Q 8.91 4.20 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 60 G 9.45 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 61 D 8.04 4.64 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.63 4.65 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.88 0.00 0.00 63 L 8.88 4.76 0.00 1.58 1.79 0.91 1.05 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 64 F 7.90 4.77 0.00 3.10 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 65 K 7.66 4.68 0.00 1.58 1.46 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.22 1.21 7.81 66 E 9.12 4.44 0.00 1.85 1.74 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 2.13 2.11 0.00 67 E 8.60 3.83 0.00 2.09 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 2.14 1.88 0.00 68 K 8.82 4.39 0.00 1.88 1.90 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.46 7.81 69 E 8.60 4.98 0.00 2.34 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 0.00 2.45 2.46 0.00 70 I 8.80 5.14 1.81 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.81 0.00 0.00 71 I 8.87 5.05 1.97 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.90 0.00 0.00 72 A 8.75 5.21 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 73 V 8.75 4.20 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 0.83 0.00 0.00 0.91 0.00 0.00 74 N 9.10 5.34 0.00 2.71 2.72 0.00 0.00 6.79 8.46 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 75 I 9.06 4.71 1.87 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 1.21 0.69 0.95 0.00 0.00 76 L 8.72 4.26 0.00 1.46 1.58 0.86 0.91 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 77 D 8.74 4.78 0.00 2.57 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.11 4.79 0.00 4.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.91 4.63 0.00 2.14 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 2.48 2.32 0.00 80 V 9.13 4.70 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 0.83 0.00 0.00 0.85 0.00 0.00 81 I 8.81 4.46 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.97 0.00 0.00 82 H 9.58 5.05 0.00 3.13 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.23 4.81 2.17 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 1.18 1.00 1.06 0.00 0.00 84 Q 9.05 5.00 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 85 A 9.33 4.65 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 86 K 9.62 4.25 0.00 1.72 1.69 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.21 7.81 87 S 7.31 4.50 0.00 4.00 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 88 V 8.51 3.84 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.14 0.00 0.00 89 A 8.11 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.93 0.00 2.10 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 0.00 2.35 2.34 0.00 91 V 8.09 3.58 2.39 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 1.07 0.00 0.00 1.41 0.00 0.00 92 A 8.18 3.96 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 93 K 8.01 3.91 0.00 2.08 1.96 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.36 7.81 94 I 7.99 3.66 1.97 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 1.53 0.49 0.80 0.00 0.00 95 C 8.12 4.00 0.00 2.85 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 96 Y 8.15 4.08 0.00 3.10 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 97 E 8.40 3.83 0.00 2.08 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 2.41 2.59 0.00 98 I 8.00 3.78 1.83 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 1.41 1.07 0.85 0.00 0.00 99 G 8.15 3.59 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 0.00 0.00 0.00 100 N 7.61 4.10 0.00 2.45 2.69 0.00 0.00 7.29 6.93 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 0.00 101 R 7.41 3.98 0.00 2.11 1.91 0.00 3.49 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 102 H 7.59 4.05 0.00 3.31 3.36 0.00 5.66 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 0.00 103 A 7.56 4.69 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 0.00 104 A 8.57 4.17 1.33 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 0.00 0.00 0.00 105 L 8.05 4.92 0.00 1.63 1.29 0.95 0.60 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 0.00 106 Y 9.18 5.07 0.00 2.86 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 0.00 107 Y 8.94 4.39 0.00 2.89 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 0.00 108 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 0.00 109 E 8.91 4.25 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 110 S 7.44 4.79 0.00 3.76 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 0.00 111 Q 8.69 3.72 0.00 1.82 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 112 F 8.08 4.92 0.00 3.18 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 0.00 113 E 7.78 5.22 0.00 1.94 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 2.35 2.30 0.00 114 F 9.07 5.31 0.00 3.08 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 0.00 115 K 9.39 5.10 0.00 1.54 1.42 0.00 1.42 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.99 1.28 7.81 116 T 8.67 4.90 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 1.27 0.00 0.00 117 P 0.00 4.33 0.00 1.82 1.56 0.00 3.63 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.00 118 F 9.07 4.57 0.00 2.97 3.17 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 0.00 119 E 8.27 3.88 0.00 1.91 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 2.30 2.19 0.00 120 K 8.28 3.95 0.00 2.03 2.07 0.00 1.53 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.46 7.81 121 P 0.00 4.21 0.00 2.24 2.32 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 122 T 7.75 3.90 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 0.00 123 L 8.08 3.99 0.00 1.98 1.94 1.00 1.15 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 0.00 124 A 8.51 3.97 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 0.00 125 L 8.28 3.87 0.00 1.78 1.95 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.04 4.08 0.00 1.78 1.73 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.29 3.95 0.00 2.01 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 2.64 2.48 0.00 128 K 8.10 4.05 0.00 1.87 2.14 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 129 L 7.49 4.58 0.00 1.62 1.69 0.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.02 4.01 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 0.79 0.00 0.00 1.02 0.00 0.00 132 Q 8.72 4.29 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 133 N 8.57 5.56 0.00 2.84 2.77 0.00 0.00 5.93 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 R 8.91 4.60 0.00 1.87 1.75 0.00 3.06 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 135 V 8.40 4.66 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 0.64 0.00 0.00 0.85 0.00 0.00 136 L 8.89 4.88 0.00 1.50 1.42 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.59 4.97 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 9.07 4.56 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.47 4.52 0.00 1.90 1.72 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.71 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.64 7.81 140 L 8.30 3.92 0.00 1.37 0.43 -0.11 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.08 4.57 0.00 2.70 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 9.07 4.47 0.00 4.07 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 0.00 143 K 7.64 4.13 0.00 1.99 2.00 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.47 7.81 144 E 8.35 4.58 0.00 2.49 2.37 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 2.51 2.42 0.00 145 R 7.72 3.75 0.00 1.50 1.69 0.00 3.02 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.00 146 L 8.19 4.33 0.00 1.36 1.42 -0.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.56 4.30 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 1.22 0.00 0.00 148 V 8.28 4.40 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 0.77 0.00 0.00 0.92 0.00 0.00 149 S 8.61 4.33 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00