NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9385 8.2127 109.7452 45.8562 0.0000 175.0501 0 S 4.5497 7.8964 112.9056 57.5505 62.2886 173.5860 1 M 4.1083 8.4260 123.6473 58.5392 32.3889 177.0321 2 A 4.1688 7.6899 121.1885 54.6035 18.5329 179.1248 3 L 3.8409 8.1330 117.5388 58.2011 42.2435 179.0993 4 K 3.9210 7.8380 119.2090 59.4397 32.1999 178.7495 5 R 3.8696 8.4472 119.2774 59.6336 30.0911 178.3452 6 I 3.3399 8.0221 119.9153 64.4865 36.8432 178.4489 7 Q 4.0901 8.0598 118.7112 58.9193 28.5750 178.9328 8 K 4.0122 8.0301 119.2794 59.4430 31.8487 179.1518 9 E 4.0853 8.3737 118.8751 59.4352 29.4278 179.2514 10 L 3.9537 8.3302 120.1998 58.3066 41.9661 178.9726 11 Q 3.9925 8.2162 117.1043 58.9777 28.9016 178.5405 12 D 4.4574 8.6545 120.1534 57.2803 40.5106 178.0475 13 L 3.9648 8.8856 121.8011 58.7776 41.8759 179.1079 14 Q 4.0851 7.9469 115.5273 57.7413 28.6273 178.3372 15 R 4.2447 7.7268 119.9742 57.9944 31.4925 176.3465 16 D 4.7532 7.4302 117.1218 50.9734 41.6003 172.7818 17 P 4.4028 0.0000 0.0000 61.8612 32.4568 174.9221 18 P 4.3635 0.0000 0.0000 61.8681 32.0116 175.8575 19 A 4.0701 8.4386 124.0603 54.3539 18.6813 178.3378 20 Q 3.9426 9.0532 120.2531 56.0024 27.2811 172.6968 21 C 5.3847 7.7118 114.4033 58.3733 31.4191 173.0846 22 S 4.7279 8.5374 112.3075 57.6252 65.7241 173.0930 23 A 5.0995 8.1653 126.6025 50.5446 22.6734 175.0046 24 G 3.7576 8.1329 105.6061 45.0211 0.0000 171.6564 25 P 4.9605 0.0000 0.0000 62.9050 32.0501 177.0635 26 V 4.2140 8.3217 120.7122 59.8029 31.6297 175.2096 27 G 4.1316 9.0564 116.0841 44.1124 0.0000 172.4378 28 D 4.8369 8.1868 116.6825 54.4417 41.7093 179.6170 29 D 4.3721 8.0568 132.6060 53.0695 38.1301 176.8383 30 L 4.5473 8.7930 123.4393 56.3749 41.6937 177.9105 31 F 4.3465 8.5544 117.5080 58.9898 40.2123 174.3661 32 H 5.3933 9.0222 117.1693 53.9754 32.4686 172.6456 33 W 5.6924 9.5950 122.6795 54.9632 33.7426 173.9708 34 Q 5.2344 9.3907 121.7854 54.6419 32.0266 174.0091 35 A 5.4032 8.8720 125.5236 50.9322 23.3999 175.1611 36 T 5.1836 9.3384 110.8931 59.9696 72.6397 172.9464 37 I 5.0736 8.7620 123.7737 59.9683 40.9916 174.3511 38 M 4.7931 8.8821 126.9164 53.9312 33.4711 175.4757 39 G 4.3772 9.9627 111.2373 46.0382 0.0000 172.6971 40 P 4.2530 0.0000 0.0000 66.2023 28.4353 176.4127 41 S 4.2585 6.8530 110.2065 63.5971 61.4129 171.7027 42 D 4.8762 9.0730 127.7512 53.7336 39.6247 174.7506 43 S 4.8131 10.1019 112.3510 55.5296 65.4336 172.3447 44 P 4.5874 0.0000 0.0000 63.3671 31.1763 176.2140 45 Y 4.8678 7.3906 115.8020 57.4125 38.4076 175.3487 46 Q 4.5194 6.9699 120.4649 57.1761 29.4064 177.6542 47 G 3.9814 9.1401 111.8453 45.3926 0.0000 173.0517 48 G 4.1037 7.5205 106.8105 44.2800 0.0000 173.0225 49 V 4.7080 8.0083 121.5895 60.6686 33.9038 174.8065 50 F 4.7710 9.2265 126.4297 55.5955 42.4816 174.1220 51 F 5.5461 9.5842 121.9190 55.8967 41.6317 174.7693 52 L 5.2743 9.3536 122.2319 53.0839 46.4208 175.2613 53 T 4.9690 8.8128 111.5617 60.0174 71.5634 172.9171 54 I 4.4754 8.4060 126.2166 59.7089 39.8378 174.1478 55 H 5.1450 8.6978 125.0493 53.8191 31.1709 173.3167 56 F 4.3365 8.7623 124.1207 55.9278 39.8142 174.7544 57 P 4.6654 0.0000 0.0000 62.4984 32.3574 176.5851 58 T 4.5693 8.4392 106.9703 63.5701 69.2863 175.0740 59 D 4.7834 8.0906 120.9783 54.3631 41.7878 175.4571 60 Y 4.4253 7.6205 120.7048 57.8437 39.1262 174.5264 61 P 3.4598 0.0000 0.0000 62.4865 31.4879 177.3701 62 F 4.4510 8.6378 118.7522 59.1098 39.1564 175.6885 63 K 4.7077 7.7525 119.6802 53.2649 35.2448 174.3178 64 P 2.9700 0.0000 0.0000 61.2103 31.6126 174.2502 65 P 4.0390 0.0000 0.0000 62.6106 32.5639 175.8352 66 K 4.1559 8.6090 123.5004 55.2629 32.9648 175.0019 67 V 4.7861 8.0339 127.2622 60.9521 33.6838 174.4913 68 A 4.9236 8.4236 127.9515 50.4246 23.1940 175.2958 69 F 4.6494 9.5667 120.0084 57.7771 39.7945 176.4109 70 T 4.5217 9.2204 111.9844 62.7079 70.8411 175.2017 71 T 4.3120 8.2220 118.7804 62.5952 69.3310 174.3161 72 K 4.1766 8.4870 127.1107 56.5950 32.9146 175.9126 73 I 4.7371 8.0057 123.6320 60.0909 40.7753 173.9660 74 Y 3.9558 8.9380 129.2217 56.8329 37.4729 173.4297 75 H 4.8313 7.7050 125.4233 53.6060 33.1925 172.6574 76 P 4.0851 0.0000 0.0000 65.0697 31.5302 177.2001 77 N 4.7061 8.2986 114.9450 52.8173 38.9444 173.9705 78 I 5.3934 7.4661 119.0886 58.1903 39.8619 175.2840 79 N 4.7083 8.4605 123.4654 51.5467 38.5322 175.7965 80 S 4.3351 8.5393 111.6779 60.1936 62.8715 174.3600 81 N 4.6401 8.2746 117.6500 52.8783 38.8876 175.3827 82 G 4.5648 8.3653 106.3750 46.5672 0.0000 173.4066 83 S 4.6675 8.6669 116.9190 58.0418 64.1136 173.1951 84 I 4.6124 8.2414 124.9177 59.6906 38.7814 176.2856 85 C 4.3921 8.7531 130.1109 57.8384 29.7821 171.1358 86 L 4.6023 7.5791 119.9212 52.3076 43.2047 175.6425 87 D 4.4619 8.4391 122.6361 55.9132 41.1748 177.0367 88 I 3.8404 8.9513 123.0293 60.5848 37.3844 173.5058 89 L 4.6955 8.1043 117.5571 54.5597 44.4764 176.6628 90 R 4.5508 7.4371 115.1182 55.8491 29.8761 179.2388 91 S 4.1948 9.2820 111.2454 60.7192 62.6765 174.5537 92 Q 4.5769 7.9154 118.4440 55.2837 28.8716 175.3554 93 W 4.5019 7.6986 127.9026 57.4088 31.6595 175.3271 94 S 4.1590 5.8150 115.4452 56.0308 64.6505 173.2759 95 P 4.1328 0.0000 0.0000 63.7415 31.2160 177.4228 96 A 3.9728 7.1328 120.4196 53.6732 18.7049 177.8520 97 L 4.1911 6.6904 115.7432 54.3697 42.5328 176.2940 98 T 5.0185 7.8962 109.4918 59.2183 73.3123 175.0188 99 V 3.6853 9.2384 120.9541 66.1480 31.4946 177.7340 100 S 4.1679 8.3822 112.4303 61.6385 62.0717 176.1759 101 K 3.9613 7.9104 120.6084 59.5647 31.7598 179.3194 102 V 3.6708 8.1899 118.7260 66.2026 31.3986 178.0042 103 L 3.9783 8.5428 118.8527 57.8325 41.3720 179.5898 104 L 4.0251 8.0767 118.9773 57.7464 41.4957 179.3538 105 S 4.1219 8.4965 113.5510 61.5776 62.2953 176.3906 106 I 3.7378 8.0699 122.6379 64.4791 36.8132 178.2427 107 C 4.1626 8.0656 117.7295 62.7200 27.8730 175.9328 108 S 4.1105 8.4391 115.1743 61.5004 61.7637 176.0378 109 L 4.1017 7.8562 121.6583 57.9948 41.7899 178.7721 110 L 4.1795 7.6379 118.2708 58.0679 41.7138 178.6864 111 C 4.6264 8.0354 115.1378 61.6475 28.6359 173.9324 112 D 4.6992 8.2927 120.7416 51.3774 41.8221 173.5865 113 P 4.4402 0.0000 0.0000 62.4930 32.1505 176.5805 114 N 4.7658 9.2851 119.0513 50.5540 38.4293 172.9834 115 P 4.3082 0.0000 0.0000 63.9161 31.6751 177.5854 116 D 4.5829 7.7261 117.8778 55.1428 41.9402 176.0485 117 D 4.8202 7.5122 117.2254 51.8768 40.7413 172.1637 118 P 4.7571 0.0000 0.0000 61.9726 33.3347 176.4115 119 L 4.7264 8.6010 115.3881 54.1889 43.6656 177.9728 120 V 4.3216 7.1289 118.0367 58.8808 32.0373 172.9371 121 P 4.2068 0.0000 0.0000 65.3724 31.5279 176.8131 122 D 4.3756 8.1707 115.8660 57.7433 41.0410 178.4770 123 I 3.6943 7.6168 119.3004 64.1176 37.1959 177.8183 124 A 3.9277 7.9694 121.7017 55.6403 18.0533 179.0145 125 H 4.1505 8.5604 116.6944 59.4027 29.8265 177.1825 126 I 3.5762 7.7383 121.2750 64.7440 36.8500 177.4774 127 Y 3.7840 8.2031 118.9700 60.8521 38.6416 178.3081 128 K 4.0592 7.9907 117.9797 59.6411 32.2625 178.3812 129 S 4.3611 8.7519 114.6718 58.6648 64.2434 175.0149 130 D 4.5510 7.4063 124.2803 51.2494 39.9439 176.3302 131 K 3.6427 8.1270 125.3087 59.1638 32.3147 177.3159 132 E 3.9273 8.1695 117.9072 59.5055 29.4807 178.9612 133 K 3.7955 8.2952 119.4848 59.7170 32.0703 178.0228 134 Y 4.1728 7.9280 119.4062 60.9751 38.8053 177.8020 135 N 3.9764 8.2668 117.3454 56.0141 38.5975 177.3280 136 R 3.7519 8.1285 120.3245 59.4926 30.1654 178.5686 137 L 3.7130 7.5692 118.3749 57.4338 41.3666 179.3277 138 A 3.9351 7.4095 120.5704 55.1964 18.2005 179.7436 139 R 3.9735 8.0579 116.7777 59.5575 30.1141 178.9532 140 E 3.9663 8.5695 118.4541 59.5970 29.4909 179.7609 141 W 4.2850 9.1845 119.0994 59.8308 28.9065 178.9433 142 T 4.1407 8.3994 116.2001 66.7160 67.7383 176.6539 143 Q 4.0099 8.0551 118.7215 58.9864 28.8795 178.6926 144 K 3.7981 8.0684 119.3478 58.8783 32.2574 177.4978 145 Y 4.8025 8.0771 113.8950 57.5075 39.5070 176.1261 146 A 4.5819 8.5811 122.7367 51.6392 19.8343 176.0256 147 M 4.3079 7.9263 124.0040 56.9901 32.9721 175.5178 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 G 8.21 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 0 S 7.90 4.55 0.00 4.04 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 1 M 8.43 4.11 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 2 A 7.69 4.17 1.50 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 0.00 0.00 3 L 8.13 3.84 0.00 2.15 2.01 1.10 0.42 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 4 K 7.84 3.92 0.00 1.86 1.96 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 5 R 8.45 3.87 0.00 1.91 2.22 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 6 I 8.02 3.34 1.54 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.46 -0.25 0.00 0.00 7 Q 8.06 4.09 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 8 K 8.03 4.01 0.00 2.05 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.55 7.81 9 E 8.37 4.09 0.00 2.41 2.34 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 2.47 2.60 0.00 10 L 8.33 3.95 0.00 1.99 1.89 -0.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.22 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 12 D 8.65 4.46 0.00 2.98 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 13 L 8.89 3.96 0.00 1.83 1.77 0.87 0.85 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 14 Q 7.95 4.09 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 15 R 7.73 4.24 0.00 1.98 2.16 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 16 D 7.43 4.75 0.00 2.66 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 17 P 0.00 4.40 0.00 2.04 2.00 0.00 3.68 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 2.03 2.22 0.00 18 P 0.00 4.36 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 19 A 8.44 4.07 1.27 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 0.00 0.00 20 Q 9.05 3.94 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 21 C 7.71 5.38 0.00 2.93 2.86 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 22 S 8.54 4.73 0.00 3.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 5.10 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 24 G 8.13 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 25 P 0.00 4.96 0.00 2.24 2.10 0.00 3.52 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 26 V 8.32 4.21 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 0.84 0.00 0.00 1.06 0.00 0.00 27 G 9.06 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 28 D 8.19 4.84 0.00 2.67 1.83 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 29 D 8.06 4.37 0.00 2.88 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 30 L 8.79 4.55 0.00 1.78 2.07 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.55 4.35 0.00 3.24 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 32 H 9.02 5.39 0.00 3.50 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.59 5.69 0.00 3.18 3.01 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 0.00 0.00 0.00 34 Q 9.39 5.23 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 35 A 8.87 5.40 1.27 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 0.00 0.00 36 T 9.34 5.18 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 1.67 0.00 0.00 37 I 8.76 5.07 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.97 0.00 0.00 38 M 8.88 4.79 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 39 G 9.96 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 0.00 0.00 0.00 0.00 40 P 0.00 4.25 0.00 2.42 2.12 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 41 S 6.85 4.26 0.00 3.91 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 42 D 9.07 4.88 0.00 2.75 3.15 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 43 S 10.10 4.81 0.00 4.14 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 44 P 0.00 4.59 0.00 1.82 1.97 0.00 3.47 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.62 0.00 45 Y 7.39 4.87 0.00 3.15 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 46 Q 6.97 4.52 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 47 G 9.14 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 48 G 7.52 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.01 4.71 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 0.44 0.00 0.00 0.85 0.00 0.00 50 F 9.23 4.77 0.00 2.97 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 51 F 9.58 5.55 0.00 3.00 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 52 L 9.35 5.27 0.00 1.35 1.34 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.81 4.97 4.12 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 0.00 0.00 1.21 0.00 0.00 54 I 8.41 4.48 1.71 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 -0.05 0.00 0.00 55 H 8.70 5.14 0.00 2.83 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.76 4.34 0.00 2.37 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 0.00 0.00 0.00 0.00 57 P 0.00 4.67 0.00 2.29 2.23 0.00 3.73 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 2.34 2.24 0.00 58 T 8.44 4.57 4.36 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 1.32 0.00 0.00 59 D 8.09 4.78 0.00 2.91 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 60 Y 7.62 4.43 0.00 3.23 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 61 P 0.00 3.46 0.00 1.71 1.39 0.00 3.44 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 1.03 1.52 0.00 62 F 8.64 4.45 0.00 3.24 3.23 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 63 K 7.75 4.71 0.00 1.75 1.65 0.00 1.77 0.00 0.00 2.01 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 64 P 0.00 2.97 0.00 1.64 1.17 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 65 P 0.00 4.04 0.00 1.45 1.36 0.00 2.30 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 66 K 8.61 4.16 0.00 1.68 1.66 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.27 7.81 67 V 8.03 4.79 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 0.67 0.00 0.00 0.69 0.00 0.00 68 A 8.42 4.92 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 69 F 9.57 4.65 0.00 2.92 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 70 T 9.22 4.52 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 1.26 0.00 0.00 71 T 8.22 4.31 4.69 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 1.26 0.00 0.00 72 K 8.49 4.18 0.00 1.42 1.26 0.00 0.77 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.24 7.81 73 I 8.01 4.74 1.82 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 1.02 0.76 0.35 0.00 0.00 74 Y 8.94 3.96 0.00 1.90 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 75 H 7.71 4.83 0.00 2.92 2.78 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.09 0.00 2.01 2.06 0.00 3.12 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 1.67 1.25 0.00 77 N 8.30 4.71 0.00 2.72 2.80 0.00 0.00 6.92 7.22 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 78 I 7.47 5.39 1.57 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.65 0.76 0.00 0.00 79 N 8.46 4.71 0.00 2.86 2.95 0.00 0.00 5.97 7.64 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 80 S 8.54 4.34 0.00 4.03 4.10 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 0.00 0.00 0.00 81 N 8.27 4.64 0.00 2.89 2.89 0.00 0.00 7.01 7.65 0.00 0.00 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 G 8.37 4.56 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 0.00 83 S 8.67 4.67 0.00 3.98 3.78 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 84 I 8.24 4.61 1.88 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 1.50 0.86 0.93 0.00 0.00 85 C 8.75 4.39 0.00 2.93 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 86 L 7.58 4.60 0.00 1.71 1.57 0.94 1.06 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 87 D 8.44 4.46 0.00 2.68 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 88 I 8.95 3.84 1.94 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 1.48 0.60 1.01 0.00 0.00 89 L 8.10 4.70 0.00 1.87 1.62 0.87 0.68 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 90 R 7.44 4.55 0.00 1.85 0.89 0.00 3.23 0.00 0.00 3.38 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 91 S 9.28 4.19 0.00 4.04 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 92 Q 7.92 4.58 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 93 W 7.70 4.50 0.00 3.31 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 94 S 5.82 4.16 0.00 3.55 3.15 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 95 P 0.00 4.13 0.00 1.74 1.47 0.00 3.51 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 96 A 7.13 3.97 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 97 L 6.69 4.19 0.00 0.65 1.39 0.67 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.90 5.02 4.56 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 1.27 0.00 0.00 99 V 9.24 3.69 2.41 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 1.18 0.00 0.00 0.90 0.00 0.00 100 S 8.38 4.17 0.00 4.03 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 0.00 101 K 7.91 3.96 0.00 2.04 1.89 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.60 7.81 102 V 8.19 3.67 2.32 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 1.10 0.00 0.00 1.20 0.00 0.00 103 L 8.54 3.98 0.00 1.91 1.73 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.08 4.03 0.00 1.88 1.74 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.50 4.12 0.00 3.95 4.09 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 0.00 106 I 8.07 3.74 2.01 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 1.53 0.64 0.97 0.00 0.00 107 C 8.07 4.16 0.00 3.19 3.01 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 0.00 0.00 0.00 108 S 8.44 4.11 0.00 3.88 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 0.00 109 L 7.86 4.10 0.00 1.77 1.83 0.94 0.99 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 0.00 110 L 7.64 4.18 0.00 1.88 1.78 0.73 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.04 4.63 0.00 3.20 3.08 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 0.00 0.00 0.00 112 D 8.29 4.70 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 0.86 1.34 0.00 3.59 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 1.70 1.93 0.00 114 N 9.29 4.77 0.00 2.65 2.70 0.00 0.00 7.34 8.35 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 0.00 115 P 0.00 4.31 0.00 2.22 1.96 0.00 3.70 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 116 D 7.73 4.58 0.00 2.67 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 0.00 117 D 7.51 4.82 0.00 2.54 2.50 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 0.00 118 P 0.00 4.76 0.00 2.15 1.98 0.00 3.79 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 1.93 1.94 0.00 119 L 8.60 4.73 0.00 1.52 1.64 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.13 4.32 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 0.98 0.00 0.00 0.90 0.00 0.00 121 P 0.00 4.21 0.00 2.18 2.10 0.00 3.65 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 2.11 2.16 0.00 122 D 8.17 4.38 0.00 2.81 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 0.00 123 I 7.62 3.69 1.60 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.07 0.53 0.00 0.00 124 A 7.97 3.93 1.38 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 0.00 0.00 0.00 125 H 8.56 4.15 0.00 3.20 3.51 0.00 5.64 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 0.00 126 I 7.74 3.58 2.16 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 1.77 0.95 1.10 0.00 0.00 127 Y 8.20 3.78 0.00 2.55 3.02 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 0.00 128 K 7.99 4.06 0.00 1.91 1.85 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.76 7.81 129 S 8.75 4.36 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.41 4.55 0.00 2.68 2.59 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 0.00 131 K 8.13 3.64 0.00 1.71 1.72 0.00 1.07 0.00 0.00 1.33 0.00 0.00 3.01 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.39 1.56 7.81 132 E 8.17 3.93 0.00 2.17 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 0.00 2.38 2.35 0.00 133 K 8.30 3.80 0.00 2.02 2.01 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 134 Y 7.93 4.17 0.00 3.25 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 0.00 135 N 8.27 3.98 0.00 2.87 2.77 0.00 0.00 6.74 7.19 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 0.00 136 R 8.13 3.75 0.00 1.80 2.01 0.00 3.07 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 137 L 7.57 3.71 0.00 0.58 0.22 0.77 0.81 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 0.00 138 A 7.41 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.06 3.97 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 140 E 8.57 3.97 0.00 2.23 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 2.32 2.59 0.00 141 W 9.18 4.28 0.00 3.62 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 0.00 142 T 8.40 4.14 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 1.41 0.00 0.00 143 Q 8.06 4.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 144 K 8.07 3.80 0.00 1.37 0.88 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.38 1.00 7.81 145 Y 8.08 4.80 0.00 3.08 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 0.00 146 A 8.58 4.58 0.66 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 0.00 0.00 147 M 7.93 4.31 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00