NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4424 8.3349 115.4126 57.3958 63.1716 172.8862 2 K 3.7587 8.4211 126.3056 56.7630 32.4664 175.4971 3 T 4.2576 8.4501 116.0582 62.9001 69.7422 174.5192 4 N 4.4971 7.9566 120.5352 52.7187 39.9153 173.6090 5 P 4.3019 0.0000 0.0000 65.6193 31.4841 178.9659 6 R 3.9383 8.4522 117.2057 59.0686 30.0902 178.7760 7 L 3.9341 8.0194 119.7428 58.0623 41.9996 178.8148 8 S 4.1151 7.8663 112.9177 61.2476 62.2132 176.4385 9 S 4.0556 7.9783 117.9312 61.4198 62.6080 175.9738 10 L 3.8688 7.9773 123.2009 58.5163 41.8062 179.2036 11 I 3.6698 7.6897 118.9088 64.4302 37.0984 178.3547 12 A 4.0454 7.7497 121.3192 55.1461 18.1608 179.4056 13 D 4.3137 8.3626 117.9578 57.2988 41.0444 178.9284 14 L 3.9582 8.1960 119.8540 57.2811 41.4483 179.8582 15 K 3.9741 7.9683 118.5104 59.5867 32.1365 179.0967 16 S 4.0643 7.9988 113.0738 61.4585 62.0494 176.2838 17 A 4.0008 8.0593 123.0149 55.1134 18.0468 179.4121 18 A 4.6864 7.7838 119.2349 54.7748 18.4309 179.7564 19 R 4.1341 8.0276 115.8931 59.8681 30.5669 178.6527 20 S 4.1319 8.2229 114.2276 62.4589 63.1273 177.5447 21 S 4.4708 8.2334 119.5945 58.3198 64.0863 174.7245 22 G 3.9233 8.6071 109.5239 45.9000 0.0000 174.2265 23 G 3.6407 8.1279 109.9656 45.1030 0.0000 174.2028 24 A 4.5687 8.2706 125.3030 52.3794 21.5921 178.6679 25 V 3.6054 7.2893 109.2095 63.9621 31.6839 178.4741 26 W 4.9708 7.6854 118.4355 59.7407 28.8665 178.4100 27 G 3.7638 8.1536 105.0917 47.1929 0.0000 175.2379 28 D 4.3826 7.6096 119.9215 57.0982 41.2101 178.4967 29 V 3.6384 8.4560 119.1904 65.7168 31.5861 177.7977 30 A 4.0166 8.1402 120.6334 55.3768 18.0001 179.4995 31 E 3.9547 7.8357 115.5638 59.5424 29.7632 179.3011 32 R 4.0547 7.8006 118.5007 59.2738 29.9042 178.5768 33 L 3.8620 7.9232 118.2691 57.4789 41.7032 178.8048 34 E 4.1843 8.1070 117.1094 57.3138 29.5777 177.3299 35 K 4.3800 7.0779 118.1695 54.3347 33.4589 174.7639 36 P 4.2966 0.0000 0.0000 62.9850 31.9617 177.8977 37 R 3.4669 8.7040 120.9417 59.2773 30.1741 179.2379 38 R 3.9396 7.9207 113.1146 59.0247 29.4035 177.6508 39 T 4.1414 7.7532 107.4870 63.2974 69.3535 174.9026 40 H 4.3534 7.8480 119.1945 55.6869 29.4260 174.5089 41 A 4.3060 8.1267 123.1320 51.8641 19.8562 176.6833 42 E 4.8037 8.7975 121.2184 54.2221 30.8131 174.2839 43 V 4.3934 8.4630 123.5860 61.0381 33.8257 174.8138 44 N 5.5338 8.4450 124.3270 51.3732 40.7840 176.1414 45 L 4.1844 8.5808 119.4681 57.9409 41.0787 180.0193 46 G 3.7365 8.2231 105.3622 47.8549 0.0000 175.3939 47 R 4.1080 7.8032 119.7444 59.1336 30.0944 178.6205 48 I 3.8355 7.7280 119.3808 64.2937 36.9889 177.7780 49 E 3.9158 8.1402 119.3024 59.2461 29.4925 178.5734 50 R 3.8389 7.5531 117.5236 58.4348 30.2165 176.4460 51 Y 4.6399 7.6533 112.4732 57.5230 39.5676 175.5984 52 A 4.6373 8.0208 123.1647 50.9990 20.2027 176.4837 53 Q 4.6458 8.0959 116.2810 53.8428 31.7738 175.2013 54 E 4.0267 8.7139 118.9510 57.8510 30.1936 176.1921 55 D 4.3037 8.5692 117.9371 54.7137 38.2322 175.0170 56 E 4.6234 7.9009 118.7311 55.6414 31.5350 174.7503 57 T 4.1639 8.3345 124.3350 64.1614 69.9534 173.5766 58 V 4.4665 9.2001 126.8254 61.8843 33.2178 174.6124 59 V 4.7104 8.8076 129.1845 61.4079 33.3610 174.4359 60 V 4.8160 9.0177 129.4715 59.0276 32.8163 174.5235 61 P 4.7103 0.0000 0.0000 59.9110 29.9087 175.2732 62 G 4.3296 6.8223 117.6630 46.9429 0.0000 172.8995 63 K 4.8629 8.8689 126.5626 54.2407 35.4235 174.2301 64 V 4.6799 8.3765 126.8860 61.7167 33.4886 174.6327 65 L 5.0787 9.3892 127.4284 52.5983 45.4338 177.0724 66 G 4.0676 8.6758 106.1351 47.1051 0.0000 174.1165 67 S 4.3085 8.1564 117.6336 59.6127 64.2552 175.4163 68 G 4.1480 9.0900 110.6472 44.4277 0.0000 172.0685 69 V 4.3490 7.9519 116.7794 60.7385 34.1936 174.8259 70 L 4.8190 8.5817 128.2946 53.5121 43.6636 175.4240 71 Q 4.4940 9.4927 125.0307 56.6772 30.6779 176.8681 72 K 4.0366 8.1626 116.4883 56.7983 32.9000 177.0776 73 D 5.5011 8.4701 123.9955 52.7028 38.8241 175.3412 74 V 4.5447 7.5514 114.6576 59.6094 35.9126 175.5922 75 T 4.7762 8.3802 120.0472 62.5293 70.2623 173.6892 76 V 4.8534 9.0104 127.6181 61.2165 33.7047 174.0385 77 A 5.9400 9.8610 130.5364 49.7384 21.2847 175.2009 78 A 4.9574 8.2549 122.1136 50.9526 22.4481 177.1466 79 V 3.5182 8.1799 119.5347 66.1314 32.0992 175.6877 80 D 4.5174 7.0333 116.3338 53.5449 44.2879 174.6201 81 F 5.4339 8.8737 121.0726 55.4055 42.8419 175.1033 82 S 4.3828 8.9258 116.9957 57.9403 64.2562 175.5109 83 G 3.7130 8.9582 106.8685 48.5584 0.0000 175.9954 84 T 3.8956 7.9244 117.8250 66.1001 68.4540 176.1326 85 A 4.0142 7.9685 122.4618 55.4622 18.4293 179.0074 86 E 3.5686 8.3059 116.8882 59.7418 29.3176 179.5577 87 T 3.8249 7.7066 115.1634 66.6851 67.8957 176.9137 88 K 3.9881 8.4057 120.7785 59.4503 32.0240 179.4853 89 I 3.5499 7.9952 120.2177 64.6002 36.9298 178.0434 90 D 4.7537 7.9242 118.6025 57.6084 40.6540 179.0860 91 Q 4.1455 7.6144 117.5535 58.4506 29.1471 177.7430 92 V 4.4370 7.3175 111.0702 61.3084 34.0084 174.8986 93 G 3.9911 8.1492 111.2225 45.2582 0.0000 175.2948 94 E 4.8274 9.4213 127.7284 54.6199 33.0914 172.8129 95 A 4.6800 8.7534 129.8044 50.7874 19.8925 176.4904 96 V 4.5988 9.2384 123.0418 60.8372 35.3771 175.2565 97 S 4.8175 8.6478 121.0202 57.7384 63.9430 175.0399 98 L 3.9639 8.2216 124.4386 58.0378 41.4431 179.2909 99 E 3.8852 7.7708 117.2705 59.0083 29.3572 179.1528 100 Q 3.8309 8.1051 118.0886 58.8652 28.9495 177.9464 101 A 4.0433 8.0332 121.2808 55.6796 17.7432 179.5694 102 I 3.0246 7.0026 117.9584 64.1894 36.7946 178.3192 103 E 3.9881 7.3049 118.9885 58.9914 29.5424 178.3588 104 N 4.5915 8.4757 116.1830 55.1673 40.3538 175.3510 105 N 5.1178 8.5232 119.4217 50.7502 38.7241 172.6436 106 P 4.6840 0.0000 0.0000 64.8925 31.8524 178.4169 107 E 4.1561 8.4850 117.0377 56.4946 30.1880 176.1639 108 G 3.5202 8.0385 107.6625 46.2693 0.0000 173.3736 109 S 4.5166 8.4067 111.2527 57.5656 65.6866 174.0517 110 H 3.9957 8.4365 116.8057 56.8597 25.8333 174.8564 111 V 4.8581 7.1411 115.8703 60.0013 34.7455 176.4139 112 R 4.4560 8.8701 126.0471 54.5718 31.7303 175.0162 113 V 4.4057 8.3377 127.0538 62.5574 32.0837 175.0050 114 I 4.7319 8.7614 128.5714 59.3532 40.6660 176.0831 115 R 4.1653 8.3437 121.8074 56.4249 29.4982 174.7990 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 S 8.33 4.44 0.00 3.99 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 2 K 8.42 3.76 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.45 4.26 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 1.21 0.00 0.00 4 N 7.96 4.50 0.00 2.80 2.68 0.00 0.00 7.25 7.71 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.45 3.94 0.00 1.95 1.96 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.02 3.93 0.00 1.75 1.82 0.92 0.78 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 8 S 7.87 4.12 0.00 4.05 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 9 S 7.98 4.06 0.00 4.03 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 10 L 7.98 3.87 0.00 1.71 1.90 0.88 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 11 I 7.69 3.67 1.87 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 1.45 1.20 0.92 0.00 0.00 12 A 7.75 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.36 4.31 0.00 2.76 2.63 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 14 L 8.20 3.96 0.00 1.86 2.01 0.93 0.50 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 15 K 7.97 3.97 0.00 2.03 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 16 S 8.00 4.06 0.00 3.91 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 17 A 8.06 4.00 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 18 A 7.78 4.69 1.52 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 0.00 0.00 19 R 8.03 4.13 0.00 1.82 2.00 0.00 3.29 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 20 S 8.22 4.13 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 21 S 8.23 4.47 0.00 4.20 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 22 G 8.61 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 23 G 8.13 3.64 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 0.00 0.00 0.00 24 A 8.27 4.57 1.20 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 0.00 0.00 25 V 7.29 3.61 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 0.53 0.00 0.00 -0.31 0.00 0.00 26 W 7.69 4.97 0.00 3.37 3.19 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 27 G 8.15 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 0.00 0.00 0.00 28 D 7.61 4.38 0.00 3.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.46 3.64 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 1.03 0.00 0.00 1.13 0.00 0.00 30 A 8.14 4.02 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 31 E 7.84 3.95 0.00 2.09 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 2.36 2.49 0.00 32 R 7.80 4.05 0.00 1.91 2.05 0.00 3.31 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.92 3.86 0.00 1.79 1.68 0.89 0.62 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 34 E 8.11 4.18 0.00 2.14 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 2.58 0.00 35 K 7.08 4.38 0.00 2.01 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.62 7.81 36 P 0.00 4.30 0.00 2.15 1.96 0.00 3.62 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 2.11 2.12 0.00 37 R 8.70 3.47 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 38 R 7.92 3.94 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.75 4.14 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 1.21 0.00 0.00 40 H 7.85 4.35 0.00 3.27 3.25 0.00 5.67 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 41 A 8.13 4.31 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 42 E 8.80 4.80 0.00 1.82 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 2.19 2.26 0.00 43 V 8.46 4.39 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.44 5.53 0.00 2.71 2.98 0.00 0.00 7.63 6.74 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 45 L 8.58 4.18 0.00 1.90 1.74 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.22 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 47 R 7.80 4.11 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 48 I 7.73 3.84 2.04 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 1.59 0.60 0.97 0.00 0.00 49 E 8.14 3.92 0.00 1.95 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 2.41 2.32 0.00 50 R 7.55 3.84 0.00 1.77 1.65 0.00 2.70 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.28 0.00 51 Y 7.65 4.64 0.00 3.00 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 52 A 8.02 4.64 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 53 Q 8.10 4.65 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 54 E 8.71 4.03 0.00 1.98 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 2.35 0.00 55 D 8.57 4.30 0.00 2.81 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 56 E 7.90 4.62 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 57 T 8.33 4.16 4.32 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 1.37 0.00 0.00 58 V 9.20 4.47 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.81 4.71 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 1.00 0.00 0.00 1.21 0.00 0.00 60 V 9.02 4.82 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 1.01 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.71 0.00 2.12 2.21 0.00 3.98 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 6.82 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 0.00 0.00 0.00 0.00 63 K 8.87 4.86 0.00 1.73 1.57 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.30 7.81 64 V 8.38 4.68 2.15 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 1.08 0.00 0.00 0.74 0.00 0.00 65 L 9.39 5.08 0.00 1.81 1.53 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.68 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.16 4.31 0.00 4.06 3.80 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 68 G 9.09 4.15 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 0.00 0.00 0.00 69 V 7.95 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.58 4.82 0.00 1.61 1.53 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.49 4.49 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.16 4.04 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.83 7.81 73 D 8.47 5.50 0.00 2.67 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 74 V 7.55 4.54 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 1.05 0.00 0.00 1.01 0.00 0.00 75 T 8.38 4.78 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 1.27 0.00 0.00 76 V 9.01 4.85 2.31 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 1.17 0.00 0.00 1.03 0.00 0.00 77 A 9.86 5.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.25 4.96 0.63 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 79 V 8.18 3.52 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 0.69 0.00 0.00 0.88 0.00 0.00 80 D 7.03 4.52 0.00 2.74 2.36 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 81 F 8.87 5.43 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.93 4.38 0.00 3.96 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 83 G 8.96 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 84 T 7.92 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 A 7.97 4.01 1.54 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 0.00 0.00 86 E 8.31 3.57 0.00 1.99 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 2.19 2.07 0.00 87 T 7.71 3.82 4.45 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 1.20 0.00 0.00 88 K 8.41 3.99 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 89 I 8.00 3.55 1.96 0.00 0.00 1.00 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 0.69 0.87 0.00 0.00 90 D 7.92 4.75 0.00 2.66 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 91 Q 7.61 4.15 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 92 V 7.32 4.44 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 0.80 0.00 0.00 0.99 0.00 0.00 93 G 8.15 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 94 E 9.42 4.83 0.00 1.96 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 2.18 2.23 0.00 95 A 8.75 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.24 4.60 2.17 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 1.09 0.00 0.00 0.95 0.00 0.00 97 S 8.65 4.82 0.00 4.09 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 98 L 8.22 3.96 0.00 1.86 1.64 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.77 3.89 0.00 2.11 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 2.28 2.31 0.00 100 Q 8.11 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.03 4.04 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 0.00 102 I 7.00 3.02 1.66 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.48 0.59 0.00 0.00 103 E 7.30 3.99 0.00 1.99 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 2.31 2.32 0.00 104 N 8.48 4.59 0.00 2.74 2.90 0.00 0.00 6.75 7.89 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 0.00 105 N 8.52 5.12 0.00 2.83 2.92 0.00 0.00 7.05 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 0.00 106 P 0.00 4.68 0.00 2.30 2.30 0.00 3.58 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.49 4.16 0.00 2.15 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 2.43 2.41 0.00 108 G 8.04 3.52 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 0.00 0.00 0.00 109 S 8.41 4.52 0.00 3.99 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 0.00 110 H 8.44 4.00 0.00 3.32 3.33 0.00 5.56 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 0.00 111 V 7.14 4.86 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 0.40 0.00 0.00 0.93 0.00 0.00 112 R 8.87 4.46 0.00 2.07 1.85 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 113 V 8.34 4.41 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 0.86 0.00 0.00 0.87 0.00 0.00 114 I 8.76 4.73 1.90 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 1.31 1.43 0.96 0.00 0.00 115 R 8.34 4.17 0.00 1.83 1.80 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00