NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1090 8.2548 109.1144 45.2828 0.0000 174.9976 17 I 3.6626 7.3084 120.2470 63.3850 37.4780 175.3853 18 T 3.8342 7.7771 116.5100 63.4114 69.8882 174.0323 19 G 3.5456 7.6481 112.6613 44.6000 0.0000 171.1846 20 T 4.5832 7.6003 117.0610 61.7542 69.9947 174.6375 21 W 4.9176 8.9982 125.5171 54.9913 33.4481 174.0124 22 Y 5.5086 9.3616 119.8276 56.5554 41.3747 175.0592 23 N 5.2393 8.4547 120.9278 50.7301 39.8321 174.5272 24 Q 4.3012 8.6256 115.8299 57.2090 29.2574 177.1283 25 L 4.1936 7.9368 117.5399 56.2255 42.2727 177.0226 26 G 4.1269 8.4034 107.5362 45.4106 0.0000 172.9050 27 S 5.1008 9.1099 116.3092 56.8692 65.9753 173.2285 28 T 4.8171 9.1844 119.4118 61.7182 71.7166 172.9175 29 F 4.9888 9.3269 128.7723 56.6067 41.7252 173.9782 30 I 4.5283 8.3232 128.8095 59.4940 38.8267 175.4811 31 V 4.5793 8.1306 126.2749 59.9463 35.5467 174.5307 32 T 4.7191 8.5696 117.8115 61.7047 71.8629 172.7492 33 A 4.7332 8.5952 129.1829 50.2282 20.0158 177.2864 34 G 3.8227 9.5326 112.3228 45.0662 0.0000 174.4376 35 A 4.1407 8.5368 123.5753 54.3877 18.5383 178.2991 36 D 4.5060 8.0683 113.4873 53.5219 40.1042 177.1702 37 G 3.2583 8.3887 108.9323 44.9736 0.0000 172.8414 38 A 5.0258 7.9106 121.1692 50.8126 21.0233 176.6211 39 L 5.2937 8.9263 120.5207 53.1542 45.0308 175.9613 40 T 4.9397 8.9644 112.6602 59.5516 72.6370 174.5035 41 G 4.0410 7.2956 109.1063 46.5094 0.0000 171.2479 42 T 5.1810 7.8253 110.4048 60.2280 72.9624 172.6005 43 Y 5.2015 9.3328 124.9701 55.9570 41.5453 174.2623 44 E 5.9800 9.4096 123.7831 54.2922 33.9978 174.5720 45 S 4.6745 8.2959 114.4554 57.7653 63.8386 174.0667 46 A 4.1227 8.3130 122.0899 55.6630 17.9390 179.7974 47 V 3.5449 7.9979 113.6082 66.3678 31.7531 178.1455 48 G 3.8805 7.8558 106.0258 45.9031 0.0000 173.3511 49 N 4.5364 8.0383 115.6081 51.5407 38.6261 175.4298 50 A 3.9288 8.6731 122.1960 55.6813 18.2681 179.9014 51 E 3.9080 7.5109 112.5541 58.2553 29.8150 177.7543 52 S 4.8912 8.2502 113.2684 57.9464 64.4685 173.1208 53 R 5.0264 7.4893 121.3813 55.6452 30.9932 175.1944 54 Y 4.9019 9.0794 123.1691 55.9828 42.2736 175.0566 55 V 4.4372 8.6086 122.8260 62.8364 32.5742 175.1032 56 L 5.1948 8.7292 126.3764 54.4202 44.0114 175.1720 57 T 4.9204 8.5921 114.3453 61.2312 71.5302 173.2373 58 G 4.3237 8.7782 112.3250 46.4287 0.0000 172.0056 59 R 5.5903 8.7829 117.4209 55.0995 34.9000 174.0861 60 Y 5.2380 8.5380 118.1913 55.5459 41.3529 174.4473 61 D 4.3256 9.0378 120.7901 53.9742 40.7341 176.9596 62 S 4.2673 8.1602 120.9417 59.3343 64.0293 174.3891 63 A 4.6891 8.0722 123.5719 50.0663 18.6622 173.8561 64 P 4.6792 0.0000 0.0000 60.9040 32.6772 177.2307 65 A 4.2158 8.4031 122.3190 52.9703 18.7817 177.3955 66 T 4.5811 8.3351 108.5361 61.6332 69.0322 174.7150 67 D 4.5918 8.1166 119.2767 53.9632 39.7351 176.8931 68 G 4.0214 8.2463 107.6900 45.4991 0.0000 174.2454 69 S 4.3414 7.9609 115.5868 57.9128 63.4413 174.1107 70 G 4.0309 8.2413 109.8581 45.8597 0.0000 172.6693 71 T 4.8161 8.6784 116.2966 61.4535 70.3720 174.7466 72 A 4.7701 8.6858 129.4286 52.2395 19.9965 175.8953 73 L 4.8912 8.7626 120.5742 55.5651 44.6951 173.8159 74 G 4.5710 9.0378 104.1824 45.7148 0.0000 172.4433 75 W 5.7813 8.2950 117.6523 55.6617 32.3467 173.3890 76 T 5.2685 9.3880 116.5203 61.9092 72.4816 173.5410 77 V 4.6170 8.5688 123.3115 61.1742 34.7834 173.7802 78 A 4.3884 8.3324 129.8167 49.5408 20.0955 178.0192 79 W 4.3388 8.3814 126.1518 55.7321 28.0964 176.3663 80 K 5.3391 7.8177 118.0953 54.8792 35.7692 174.5929 81 N 5.0296 9.0158 122.1733 51.9253 39.8404 174.2958 82 N 4.5783 8.8028 114.3633 55.1054 38.7740 175.0762 83 Y 4.6022 7.9869 114.0227 58.4516 40.6234 175.8374 84 R 4.8060 9.0981 116.9667 54.5703 34.2405 174.0703 85 N 5.1594 8.5522 117.4258 53.1077 40.7602 173.6339 86 A 4.3990 9.2115 128.8214 51.4483 19.8219 176.3889 87 H 4.1600 8.7546 114.7154 56.3334 26.9267 173.2283 88 S 5.2258 7.4273 111.6368 57.9344 66.8971 174.5432 89 A 4.9056 8.9764 120.9543 50.8558 22.8384 175.3422 90 T 4.9687 8.5355 117.7682 61.7168 72.1915 173.2950 91 T 4.9759 8.3259 114.7325 59.6203 72.1055 172.5923 92 W 4.8974 8.5961 124.5949 54.7588 31.9247 174.6283 93 S 4.8864 8.7514 119.2770 56.5885 64.9256 172.8211 94 G 4.5321 8.4823 113.3010 46.7308 0.0000 171.7169 95 Q 5.3242 8.3957 118.8684 54.9862 32.6650 173.5619 96 Y 4.7497 9.1133 123.2095 56.7122 40.7421 174.1729 97 V 4.0971 8.5306 126.8877 60.8570 33.9290 175.4784 98 G 4.0274 8.1602 115.4873 45.5165 0.0000 171.5627 99 G 4.2460 8.8763 105.2020 42.6501 0.0000 174.3936 100 A 4.1916 8.4225 122.5296 54.3667 18.8568 177.7044 101 E 4.6733 7.2934 115.2794 54.5099 29.3004 175.2971 102 A 4.6300 7.7043 122.0506 52.8165 20.0362 178.0429 103 R 5.2465 8.8152 114.4470 55.7576 33.6146 173.8485 104 I 4.9452 8.7654 120.8661 59.8201 40.2405 174.3171 105 N 5.3594 9.0118 125.9413 52.1169 40.2629 174.6667 106 T 5.2902 9.1920 113.2052 60.1764 73.3006 172.6048 107 Q 4.9848 9.1005 120.0377 53.8342 32.9197 174.7243 108 W 5.3480 8.4188 119.1683 54.5882 32.5017 173.9594 109 L 5.1466 8.7314 119.7812 52.9641 44.9116 175.3442 110 L 5.0361 9.3047 126.9611 53.7912 44.2672 174.8866 111 T 5.0965 8.7976 123.9446 62.0277 70.8111 174.0214 112 S 5.1926 8.7527 122.6610 56.5800 65.2825 174.3090 113 G 3.9117 8.7167 111.3526 46.4889 0.0000 173.1340 114 T 4.8031 8.3055 113.9794 59.6203 72.3333 173.1772 115 T 4.2510 8.0586 111.8854 60.7190 70.0160 175.4678 116 E 3.9496 8.7566 120.6105 59.4605 29.6145 179.7171 117 A 4.0684 7.5210 120.0752 54.5728 18.8449 177.7774 118 N 4.9136 8.0132 111.4753 53.0020 39.1473 176.6875 119 A 4.1676 8.1581 124.1518 54.1960 18.6281 180.4684 120 W 4.3561 8.4826 112.3478 58.5247 28.2690 176.5583 121 K 4.0313 6.5472 118.2189 55.9333 32.1338 176.9886 122 S 4.3113 7.6445 114.5642 60.3760 63.9186 173.2667 123 T 5.0269 7.5183 117.6054 61.7960 70.8962 173.3459 124 L 4.7731 9.0266 127.0785 53.2517 44.1579 175.9731 125 V 4.3602 7.8552 120.7167 60.2822 34.3677 175.1458 126 G 3.0530 6.5673 108.3882 45.7759 0.0000 170.9729 127 H 5.4112 7.9921 113.9986 54.2844 31.5454 172.6944 128 D 5.1761 9.2952 119.9680 52.9129 45.2385 174.6334 129 T 5.1052 8.3500 117.4572 61.9453 71.8927 172.7599 130 F 5.4962 9.5847 125.8546 56.1141 41.7597 174.9975 131 T 5.4957 9.5709 112.3740 60.0332 72.2387 174.7897 132 K 3.7586 8.8329 119.9864 57.1494 32.5940 177.3829 133 V 4.5097 7.4147 117.9464 60.2768 34.2954 175.1553 134 K 3.8125 8.3186 123.6589 56.8034 31.7574 176.8469 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 16 G 8.25 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 17 I 7.31 3.66 1.36 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.21 0.53 0.00 0.00 18 T 7.78 3.83 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 G 7.65 3.55 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 0.00 20 T 7.60 4.58 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 0.66 0.00 0.00 21 W 9.00 4.92 0.00 3.33 3.31 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 22 Y 9.36 5.51 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.45 5.24 0.00 2.23 2.14 0.00 0.00 6.95 7.63 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 24 Q 8.63 4.30 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 25 L 7.94 4.19 0.00 1.84 1.77 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.40 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.11 5.10 0.00 4.03 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.18 4.82 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 1.09 0.00 0.00 29 F 9.33 4.99 0.00 2.51 2.83 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 30 I 8.32 4.53 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.33 0.72 0.00 0.00 31 V 8.13 4.58 0.67 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 0.21 0.00 0.00 0.62 0.00 0.00 32 T 8.57 4.72 4.14 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 1.14 0.00 0.00 33 A 8.60 4.73 0.67 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 34 G 9.53 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 0.00 0.00 0.00 35 A 8.54 4.14 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 36 D 8.07 4.51 0.00 2.77 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 37 G 8.39 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.91 5.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.93 5.29 0.00 1.77 1.53 1.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.96 4.94 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 41 G 7.30 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 0.00 0.00 0.00 42 T 7.83 5.18 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 1.20 0.00 0.00 43 Y 9.33 5.20 0.00 3.05 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 44 E 9.41 5.98 0.00 2.08 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 0.00 2.31 2.12 0.00 45 S 8.30 4.67 0.00 4.03 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 46 A 8.31 4.12 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 47 V 8.00 3.54 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 0.81 0.00 0.00 0.94 0.00 0.00 48 G 7.86 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 49 N 8.04 4.54 0.00 2.89 2.93 0.00 0.00 5.97 7.20 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 50 A 8.67 3.93 1.18 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 0.00 0.00 51 E 7.51 3.91 0.00 1.95 1.92 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 1.47 1.54 0.00 52 S 8.25 4.89 0.00 4.05 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 53 R 7.49 5.03 0.00 1.77 1.80 0.00 3.20 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 54 Y 9.08 4.90 0.00 3.11 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 55 V 8.61 4.44 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.73 5.19 0.00 2.00 1.77 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.59 4.92 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 1.26 0.00 0.00 58 G 8.78 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 0.00 0.00 0.00 0.00 59 R 8.78 5.59 0.00 1.77 1.79 0.00 3.32 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.54 5.24 0.00 3.00 2.89 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 61 D 9.04 4.33 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.16 4.27 0.00 3.90 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.69 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 64 P 0.00 4.68 0.00 2.28 2.17 0.00 3.45 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 65 A 8.40 4.22 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 66 T 8.34 4.58 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 1.24 0.00 0.00 67 D 8.12 4.59 0.00 2.80 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 68 G 8.25 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.96 4.34 0.00 3.93 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 70 G 8.24 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 0.00 0.00 0.00 71 T 8.68 4.82 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 1.48 0.00 0.00 72 A 8.69 4.77 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 73 L 8.76 4.89 0.00 2.09 1.98 1.20 0.39 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 74 G 9.04 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 0.00 0.00 0.00 0.00 75 W 8.30 5.78 0.00 3.54 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.39 5.27 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 1.20 0.00 0.00 77 V 8.57 4.62 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 -0.23 0.00 0.00 0.85 0.00 0.00 78 A 8.33 4.39 1.18 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 0.00 0.00 79 W 8.38 4.34 0.00 3.32 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 80 K 7.82 5.34 0.00 1.93 1.72 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.49 7.81 81 N 9.02 5.03 0.00 2.86 2.72 0.00 0.00 6.73 6.47 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 82 N 8.80 4.58 0.00 2.35 2.49 0.00 0.00 6.56 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.99 4.60 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.10 4.81 0.00 1.99 1.91 0.00 3.44 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 85 N 8.55 5.16 0.00 2.66 2.60 0.00 0.00 6.90 7.96 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 86 A 9.21 4.40 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 87 H 8.75 4.16 0.00 3.30 3.30 0.00 5.66 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 88 S 7.43 5.23 0.00 4.04 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 89 A 8.98 4.91 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 90 T 8.54 4.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 91 T 8.33 4.98 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 1.14 0.00 0.00 92 W 8.60 4.90 0.00 1.78 1.92 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 93 S 8.75 4.89 0.00 3.79 3.62 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 94 G 8.48 4.53 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 0.00 95 Q 8.40 5.32 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.11 4.75 0.00 3.03 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 97 V 8.53 4.10 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 8.16 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 0.00 0.00 0.00 99 G 8.88 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 0.00 0.00 0.00 0.00 100 A 8.42 4.19 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 0.00 101 E 7.29 4.67 0.00 2.11 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 2.24 2.39 0.00 102 A 7.70 4.63 1.49 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 0.00 103 R 8.82 5.25 0.00 2.15 2.18 0.00 2.80 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 104 I 8.77 4.95 1.79 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.35 1.05 0.00 0.00 105 N 9.01 5.36 0.00 2.76 2.81 0.00 0.00 6.07 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 0.00 106 T 9.19 5.29 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 107 Q 9.10 4.98 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 108 W 8.42 5.35 0.00 2.62 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.73 5.15 0.00 1.50 1.52 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.30 5.04 0.00 1.65 1.74 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.80 5.10 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 1.24 0.00 0.00 112 S 8.75 5.19 0.00 3.69 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 0.00 113 G 8.72 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 0.00 114 T 8.31 4.80 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 0.00 115 T 8.06 4.25 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 1.22 0.00 0.00 116 E 8.76 3.95 0.00 2.04 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 2.42 2.27 0.00 117 A 7.52 4.07 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 0.00 118 N 8.01 4.91 0.00 2.69 2.74 0.00 0.00 6.77 8.09 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 0.00 119 A 8.16 4.17 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 0.00 120 W 8.48 4.36 0.00 3.60 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 0.00 121 K 6.55 4.03 0.00 1.09 0.74 0.00 1.10 0.00 0.00 1.52 0.00 0.00 2.64 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.83 7.81 122 S 7.64 4.31 0.00 4.11 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 0.00 123 T 7.52 5.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 L 9.03 4.77 0.00 1.76 1.69 0.95 0.45 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 0.00 125 V 7.86 4.36 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 0.52 0.00 0.00 0.66 0.00 0.00 126 G 6.57 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 0.00 0.00 0.00 127 H 7.99 5.41 0.00 3.18 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.30 5.18 0.00 3.03 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 0.00 0.00 0.00 0.00 129 T 8.35 5.11 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 1.33 0.00 0.00 130 F 9.58 5.50 0.00 3.08 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 0.00 131 T 9.57 5.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 132 K 8.83 3.76 0.00 1.59 1.63 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.44 7.81 133 V 7.41 4.51 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 0.81 0.00 0.00 0.93 0.00 0.00 134 K 8.32 3.81 0.00 1.54 1.45 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.58 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.63 7.81