NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3295 8.1227 123.5838 51.8954 20.0175 177.5919 18 R 3.8497 8.5506 120.8581 57.3702 30.3319 174.4090 19 S 4.6573 7.6096 109.6151 56.6397 67.2207 173.3273 20 L 4.7880 8.6501 122.7882 54.9361 42.1921 176.0105 21 S 4.7798 8.6786 119.2357 57.2392 66.6599 172.7362 22 I 5.0033 8.2731 120.9921 60.0625 39.7927 175.0848 23 T 4.1842 8.4408 121.6752 63.7502 68.0644 174.3834 24 T 3.3166 8.7455 124.4254 62.9038 65.2771 170.1542 25 P 4.5657 0.0000 0.0000 65.1215 32.8019 175.5373 26 E 5.2846 7.6319 118.1774 54.4401 32.9725 174.1702 27 E 4.8036 8.6489 125.2559 55.1636 33.5261 172.8460 28 M 5.2724 8.6674 124.4577 53.8342 35.1206 174.6822 29 I 4.6724 8.7715 125.7620 59.5754 41.0233 174.0041 30 E 5.2822 8.9005 125.9890 54.6331 31.9287 175.5021 31 K 4.7641 8.9735 121.7472 54.8129 37.4289 175.4417 32 A 4.7388 8.8655 124.0735 50.7986 20.2464 177.2720 33 K 4.0983 8.8129 122.0812 58.1205 32.6603 177.4383 34 G 3.9838 8.9885 114.9226 45.3849 0.0000 173.3262 35 E 4.5070 7.8598 119.5917 55.9955 31.6226 175.3264 36 T 5.0300 8.2372 110.2536 60.0191 70.8255 173.7000 37 A 4.2877 8.7550 128.5656 51.3730 20.2269 175.3695 38 Y 4.5906 8.5998 124.3164 56.3436 39.9680 175.0818 39 L 4.3964 8.4008 129.3427 52.2173 42.8931 174.4321 40 P 4.3344 0.0000 0.0000 62.9997 32.5206 177.7298 41 C 4.9301 9.3361 122.5654 55.7731 46.1511 171.3110 42 K 5.2875 8.4937 123.2920 54.1788 34.1845 174.9712 43 F 5.5677 8.5156 118.5278 55.4068 42.1316 173.5681 44 T 4.7786 8.9274 116.4809 61.9105 71.2460 173.5211 45 L 4.8785 8.6306 125.4967 53.8277 43.7292 175.8333 46 S 4.9437 8.8144 115.8982 55.2079 64.5357 173.1603 47 P 4.3078 0.0000 0.0000 65.6799 31.1719 177.7940 48 E 4.1524 7.8032 114.8722 58.4954 30.3599 177.7450 49 D 4.8917 7.9804 121.7085 54.0488 38.5694 176.4123 50 Q 4.4400 7.9173 117.5905 55.6418 29.9080 176.3135 51 G 3.9105 7.9636 108.3101 43.8811 0.0000 171.4379 52 P 4.4340 0.0000 0.0000 61.8938 32.0587 175.8190 53 L 4.2084 8.4120 123.6898 55.5188 42.8143 176.0841 54 D 4.8362 9.4192 126.1584 52.6802 43.0747 173.1561 55 I 5.0727 9.1587 126.1280 59.2918 40.0647 174.4418 56 E 5.3814 8.9795 122.4039 54.8308 33.5715 173.9391 57 W 5.2558 9.2969 120.5808 55.0908 32.5303 174.8385 58 L 5.2808 9.0727 122.0796 52.9525 45.6987 175.1749 59 I 4.3304 8.4760 122.2551 59.1970 40.9911 174.5017 60 S 4.8950 8.7561 126.2894 56.0449 63.3988 171.4520 61 P 4.7815 0.0000 0.0000 62.0930 32.1471 177.6230 62 A 4.2456 8.8083 125.7997 55.3568 18.1854 178.5954 63 D 4.4720 8.0906 115.4152 57.1783 40.3789 176.7809 64 N 5.0832 7.7081 113.8147 50.5591 40.5367 175.2806 65 Q 4.2079 8.6009 116.7027 58.3539 28.9347 177.6949 66 K 4.2486 7.1658 116.9157 56.8731 33.2432 176.3364 67 V 4.3372 7.7512 118.2011 62.4660 34.9349 173.8018 68 D 4.2497 8.4334 122.7243 55.4630 38.8423 174.6205 69 Q 4.5079 8.0737 118.0157 54.2282 30.7289 177.5862 70 V 4.0786 8.4833 117.8300 62.4591 31.4743 176.0396 71 I 4.5486 8.4679 117.4692 61.9946 39.8651 175.6628 72 I 4.9667 7.5066 120.0226 59.9106 41.3693 173.2829 73 L 5.5382 9.5971 127.1769 53.2699 46.2511 174.8955 74 Y 5.3594 9.5187 123.9824 56.1252 41.5692 174.2975 75 S 4.6275 8.9060 120.4058 57.5074 66.9933 174.5809 76 G 3.6421 9.0793 109.0600 46.9753 0.0000 172.9062 77 D 4.3230 7.8564 113.6103 53.2691 40.1811 172.7602 78 K 4.4934 7.1734 114.8850 53.8543 35.2616 175.3978 79 I 4.9128 8.0328 123.1381 60.3595 38.5656 174.8533 80 Y 4.8033 9.2313 122.6268 56.4964 40.3226 175.8659 81 D 5.0338 8.6978 121.3524 53.1780 41.3799 175.8316 82 D 4.7351 7.5526 119.2179 54.1886 40.2740 174.6484 83 Y 4.5440 7.8418 118.7335 59.4410 40.4874 176.3845 84 Y 4.5064 7.8419 125.0536 54.9701 39.1393 173.5748 85 P 4.2154 0.0000 0.0000 65.7635 31.5776 178.8352 86 D 4.4450 7.6097 115.7607 56.3654 41.1404 176.8807 87 L 4.6857 8.2097 118.7013 54.0012 41.9677 175.7817 88 K 4.1408 7.7647 120.9954 57.8287 32.1676 177.1597 89 G 3.9724 9.0137 113.5874 46.0702 0.0000 173.4385 90 R 4.6726 8.0766 116.1390 54.2641 32.4035 174.8873 91 V 4.6243 7.5289 119.1876 61.2906 33.9247 174.3573 92 H 4.9659 8.4990 123.1233 53.8695 33.5811 172.8414 93 F 4.8736 8.7461 120.7258 58.0400 38.8464 175.7930 94 T 4.1950 8.8209 113.9323 63.9301 69.4048 175.5974 95 S 4.4557 7.9573 115.6383 57.4754 63.3186 173.4219 96 N 4.5047 8.8014 124.0277 55.2601 37.4160 175.3145 97 D 4.7189 7.4676 120.8132 51.8791 40.4008 175.9585 98 L 4.1349 8.0381 125.2679 56.6928 42.6191 178.6446 99 K 4.3462 7.8870 115.2756 58.6115 32.7292 177.1506 100 S 4.4903 7.3415 114.7690 58.8476 62.7919 174.1029 101 G 2.6667 7.2678 109.5428 45.6215 0.0000 173.7608 102 D 4.6612 7.7042 119.3422 52.3521 41.8861 174.2191 103 A 4.9293 9.2434 127.5403 51.7901 19.9543 177.1853 104 S 4.7828 8.8196 115.3877 60.2014 64.2485 173.6063 105 I 5.0080 8.0395 115.7234 59.0001 41.1905 173.7675 106 N 5.2997 8.6616 120.1840 51.2580 40.5420 173.7460 107 V 4.6597 8.3837 121.2551 61.5275 33.1845 175.0114 108 T 4.4961 8.8413 119.1483 60.2135 71.0494 173.7709 109 N 4.2797 8.4791 118.1124 54.2720 37.2789 174.6998 110 L 4.2437 8.2126 118.9568 55.5156 42.9623 177.3998 111 Q 5.0187 8.8640 121.0963 53.6146 31.9780 176.8414 112 L 4.1146 8.3700 119.1989 57.6859 41.8084 179.6752 113 S 4.5249 7.8874 111.1022 59.7793 63.2910 174.7450 114 D 4.6469 7.9873 120.1483 55.8091 41.0886 176.5476 115 I 4.0067 7.8422 122.5436 61.0893 38.2346 176.1091 116 G 4.2336 7.9438 112.8298 46.9312 0.0000 170.7173 117 T 5.2413 7.9371 116.5941 62.4881 70.3131 173.9643 118 Y 5.1574 9.5342 124.5163 56.2590 40.7812 174.4219 119 Q 4.8621 9.3107 125.4163 54.3417 32.3900 173.0931 120 C 3.8144 8.4948 127.2569 54.6755 44.9974 172.1578 121 K 4.8838 8.4740 127.1662 54.6386 34.1095 175.6315 122 V 4.4260 8.6069 125.6563 60.8599 33.9273 174.2337 123 K 4.9644 8.7342 127.3866 54.6419 35.4783 175.7844 124 K 4.7726 8.8474 125.8255 54.9731 34.3414 174.5511 125 A 4.3905 8.5233 130.1690 51.6036 18.9351 176.2168 126 P 4.6206 0.0000 0.0000 62.9890 32.1458 176.8656 127 G 3.7184 8.0248 109.4299 45.3609 0.0000 172.9778 128 V 5.0105 7.9662 121.4642 61.3114 34.8020 173.6586 129 A 4.8718 8.8620 127.7026 50.6726 22.9267 174.5662 130 N 5.9977 8.7314 116.4012 50.4747 41.1538 173.3688 131 K 4.7525 8.1187 116.4792 55.5282 36.3063 174.7835 132 K 5.1043 8.6414 120.7575 54.7713 35.4253 175.2057 133 I 4.8628 9.1422 124.5962 59.8954 40.8675 174.3112 134 H 5.1308 8.8209 125.1668 54.8142 29.3324 174.0775 135 L 4.9902 8.9059 126.7257 53.8825 43.9940 175.4624 136 V 4.6228 8.6345 124.7514 61.0855 34.8770 173.9825 137 V 4.8385 8.5670 127.1894 61.1521 33.5543 174.3555 138 L 4.7942 8.5753 127.6676 52.4288 44.5917 177.0553 139 V 3.7398 8.3882 121.4526 63.2922 31.4711 175.5709 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 17 A 8.12 4.33 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 18 R 8.55 3.85 0.00 1.87 1.97 0.00 3.26 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 19 S 7.61 4.66 0.00 3.87 3.79 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 0.00 0.00 0.00 20 L 8.65 4.79 0.00 1.85 1.62 0.85 0.92 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 21 S 8.68 4.78 0.00 3.90 3.90 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 22 I 8.27 5.00 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 1.00 0.00 0.00 23 T 8.44 4.18 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 24 T 8.75 3.32 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 1.25 0.00 0.00 25 P 0.00 4.57 0.00 2.06 2.10 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 26 E 7.63 5.28 0.00 2.00 1.77 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 2.26 2.09 0.00 27 E 8.65 4.80 0.00 2.06 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 28 M 8.67 5.27 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 29 I 8.77 4.67 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.88 0.00 0.00 30 E 8.90 5.28 0.00 1.82 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 2.22 2.31 0.00 31 K 8.97 4.76 0.00 1.60 1.62 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 32 A 8.87 4.74 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 33 K 8.81 4.10 0.00 1.68 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 34 G 8.99 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 0.00 0.00 0.00 35 E 7.86 4.51 0.00 2.13 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 2.32 2.25 0.00 36 T 8.24 5.03 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 37 A 8.76 4.29 1.11 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 38 Y 8.60 4.59 0.00 2.89 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 39 L 8.40 4.40 0.00 0.88 1.37 0.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.33 0.00 2.09 2.02 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 41 C 9.34 4.93 0.00 3.24 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 42 K 8.49 5.29 0.00 1.77 1.64 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 43 F 8.52 5.57 0.00 3.16 3.05 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 0.00 0.00 0.00 44 T 8.93 4.78 4.28 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 1.22 0.00 0.00 45 L 8.63 4.88 0.00 1.59 1.65 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.81 4.94 0.00 3.99 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 47 P 0.00 4.31 0.00 2.08 2.13 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 48 E 7.80 4.15 0.00 2.03 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 2.28 0.00 49 D 7.98 4.89 0.00 2.91 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 50 Q 7.92 4.44 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 51 G 7.96 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 52 P 0.00 4.43 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 53 L 8.41 4.21 0.00 1.76 1.80 0.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.42 4.84 0.00 2.89 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.16 5.07 2.07 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 1.11 0.00 0.00 56 E 8.98 5.38 0.00 2.04 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 2.14 2.24 0.00 57 W 9.30 5.26 0.00 3.25 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 58 L 9.07 5.28 0.00 1.49 1.43 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.48 4.33 1.14 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.29 0.03 0.00 0.00 60 S 8.76 4.89 0.00 3.70 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 61 P 0.00 4.78 0.00 2.16 2.19 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 62 A 8.81 4.25 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 63 D 8.09 4.47 0.00 2.76 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 64 N 7.71 5.08 0.00 3.10 2.91 0.00 0.00 7.15 7.32 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 65 Q 8.60 4.21 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 66 K 7.17 4.25 0.00 2.09 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.45 7.81 67 V 7.75 4.34 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 0.79 0.00 0.00 0.99 0.00 0.00 68 D 8.43 4.25 0.00 2.78 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 69 Q 8.07 4.51 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 70 V 8.48 4.08 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 0.48 0.00 0.00 0.61 0.00 0.00 71 I 8.47 4.55 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.63 0.00 0.00 72 I 7.51 4.97 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.64 0.00 0.00 73 L 9.60 5.54 0.00 2.19 1.86 0.90 1.09 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 74 Y 9.52 5.36 0.00 2.87 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 75 S 8.91 4.63 0.00 3.93 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 76 G 9.08 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 77 D 7.86 4.32 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.17 4.49 0.00 1.83 1.01 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.27 7.81 79 I 8.03 4.91 1.98 0.00 0.00 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 1.87 0.77 1.22 0.00 0.00 80 Y 9.23 4.80 0.00 3.24 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 81 D 8.70 5.03 0.00 2.74 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 82 D 7.55 4.74 0.00 2.53 2.45 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 83 Y 7.84 4.54 0.00 3.12 3.06 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 84 Y 7.84 4.51 0.00 3.28 2.94 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 85 P 0.00 4.22 0.00 2.04 2.03 0.00 3.23 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 86 D 7.61 4.45 0.00 2.66 2.79 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 0.00 0.00 0.00 87 L 8.21 4.69 0.00 2.07 1.72 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.76 4.14 0.00 1.88 1.74 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.40 7.81 89 G 9.01 3.97 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 0.00 0.00 0.00 90 R 8.08 4.67 0.00 1.84 2.06 0.00 3.28 0.00 0.00 3.20 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 91 V 7.53 4.62 1.97 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 0.52 0.00 0.00 0.87 0.00 0.00 92 H 8.50 4.97 0.00 3.12 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.75 4.87 0.00 3.01 2.95 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 94 T 8.82 4.19 4.39 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 1.40 0.00 0.00 95 S 7.96 4.46 0.00 4.11 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 96 N 8.80 4.50 0.00 2.86 2.94 0.00 0.00 5.90 8.06 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 97 D 7.47 4.72 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.04 4.13 0.00 1.36 1.09 -0.67 -0.26 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 99 K 7.89 4.35 0.00 2.01 2.05 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 100 S 7.34 4.49 0.00 3.90 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 0.00 101 G 7.27 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.70 4.66 0.00 2.63 2.46 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 0.00 103 A 9.24 4.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.82 4.78 0.00 3.99 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 0.00 105 I 8.04 5.01 1.33 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.03 0.00 0.00 106 N 8.66 5.30 0.00 2.92 3.05 0.00 0.00 6.73 6.98 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 0.00 107 V 8.38 4.66 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 0.94 0.00 0.00 0.62 0.00 0.00 108 T 8.84 4.50 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 1.26 0.00 0.00 109 N 8.48 4.28 0.00 2.84 2.86 0.00 0.00 7.02 7.78 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 0.00 110 L 8.21 4.24 0.00 1.76 1.59 0.91 0.80 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 0.00 111 Q 8.86 5.02 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 112 L 8.37 4.11 0.00 1.73 1.74 0.93 0.88 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 0.00 113 S 7.89 4.52 0.00 4.14 4.03 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 0.00 114 D 7.99 4.65 0.00 2.92 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 0.00 115 I 7.84 4.01 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 1.01 0.00 0.00 116 G 7.94 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 0.00 0.00 0.00 0.00 117 T 7.94 5.24 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 1.25 0.00 0.00 118 Y 9.53 5.16 0.00 3.07 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 0.00 119 Q 9.31 4.86 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 120 C 8.49 3.81 0.00 1.23 2.21 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 0.00 121 K 8.47 4.88 0.00 1.59 1.58 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.21 7.81 122 V 8.61 4.43 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 0.11 0.00 0.00 0.54 0.00 0.00 123 K 8.73 4.96 0.00 1.81 1.61 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.27 7.81 124 K 8.85 4.77 0.00 1.75 1.63 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.47 7.81 125 A 8.52 4.39 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 0.00 126 P 0.00 4.62 0.00 2.18 2.16 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 G 8.02 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.97 5.01 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 0.78 0.00 0.00 0.94 0.00 0.00 129 A 8.86 4.87 1.16 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 0.00 0.00 130 N 8.73 6.00 0.00 2.62 2.64 0.00 0.00 6.18 7.13 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 0.00 131 K 8.12 4.75 0.00 1.87 1.82 0.00 1.54 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.32 7.81 132 K 8.64 5.10 0.00 1.69 1.64 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.33 7.81 133 I 9.14 4.86 2.03 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 1.27 1.05 0.96 0.00 0.00 134 H 8.82 5.13 0.00 3.16 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.91 4.99 0.00 1.63 1.67 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.63 4.62 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 0.98 0.00 0.00 0.97 0.00 0.00 137 V 8.57 4.84 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 0.89 0.00 0.00 1.03 0.00 0.00 138 L 8.58 4.79 0.00 1.62 1.53 0.93 0.54 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 0.00 139 V 8.39 3.74 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 0.75 0.00 0.00 0.94 0.00 0.00