NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2277 8.1633 120.2794 54.7259 33.3150 174.2631 2 K 4.0595 8.4883 126.1650 56.1023 32.5161 175.6998 3 G 3.9656 8.5941 113.5755 44.7510 0.0000 172.1140 4 D 4.5822 8.4530 119.5830 54.3011 41.9492 177.0691 5 T 3.8665 8.8762 122.8153 66.8531 68.5224 176.6495 6 K 3.8343 8.1644 120.9486 59.1697 32.1923 178.7978 7 V 3.8982 8.6892 119.0366 66.1942 31.3951 177.9329 8 I 3.7264 7.7734 119.3705 64.6891 36.8964 178.1531 9 N 4.2857 8.2290 117.1563 56.3517 38.3034 177.1221 10 Y 4.0897 8.1021 118.1648 61.1098 38.0524 178.4271 11 L 3.9262 8.7012 120.2290 58.1381 41.6949 179.5086 12 N 4.3716 8.5167 116.5806 55.9830 38.4063 177.4839 13 K 3.8619 8.2579 121.4556 59.3951 32.3246 178.8431 14 L 3.8033 8.1813 119.6087 57.6733 41.3966 179.0191 15 L 3.9355 7.8940 120.5931 58.3032 41.8709 179.2930 16 G 3.5946 8.1614 105.5835 47.8254 0.0000 175.3917 17 N 4.3473 8.0372 118.8043 56.1879 38.5799 177.3185 18 E 4.0854 8.3334 119.9312 59.5913 29.1155 179.5084 19 L 4.2387 8.3014 118.8349 57.3284 41.5253 180.0249 20 V 3.6405 7.7263 112.3633 64.1804 31.4347 178.1116 21 A 3.8493 8.1212 120.5714 55.2380 18.2019 179.5677 22 I 3.7586 8.2126 118.5106 64.8349 37.1858 178.4840 23 N 4.3987 7.8181 115.9047 56.4553 38.4502 177.4244 24 Q 3.8411 8.3703 121.3160 59.2421 29.0851 177.9280 25 Y 4.3332 8.2633 118.0908 60.9079 37.9788 177.7483 26 F 3.7811 8.4712 121.6359 61.0969 39.4506 176.8530 27 L 3.9168 8.2606 119.9474 58.5051 41.8905 178.3308 28 H 3.7492 8.0784 115.8176 58.8815 28.6102 177.0712 29 A 4.1399 8.3412 122.5565 55.8492 18.1015 180.0108 30 R 3.7794 7.7354 115.3539 58.6970 30.0988 179.3392 31 M 3.3978 7.8321 119.4438 58.1659 31.8954 178.5123 32 F 4.6357 7.6515 118.2388 60.5146 39.0515 177.7045 33 K 3.9370 8.3075 119.3247 59.5132 31.8342 178.0340 34 N 4.2257 7.8978 116.1030 56.7833 38.9074 176.2376 35 W 4.7611 7.8406 116.6677 57.4592 29.3049 177.2881 36 G 4.0233 8.3102 107.9334 45.8221 0.0000 175.2029 37 L 4.4790 7.9923 121.8182 53.2045 38.0308 177.1329 38 K 3.8639 7.9619 122.6553 59.7913 32.5849 177.5871 39 R 3.9230 8.3394 119.2070 59.2888 30.0046 178.4517 40 L 4.1396 7.7702 118.3391 57.2953 41.5640 178.7859 41 N 4.4482 8.1144 116.8651 56.7427 38.9592 176.5004 42 D 4.3237 7.9977 120.2902 57.4541 40.9929 179.1424 43 V 3.3212 7.6195 118.2587 66.0936 31.5200 177.9538 44 E 3.7523 8.2999 118.3763 59.2663 29.2723 178.5907 45 Y 3.9038 8.1692 119.7968 61.2217 38.8695 178.1811 46 H 4.2041 8.2161 116.4157 58.3161 28.6497 177.6019 47 E 3.6737 7.7726 120.9156 58.6476 29.1619 178.7241 48 S 4.0968 8.0322 113.7663 61.6213 62.3394 176.2856 49 I 3.5494 7.2751 122.0951 64.4590 36.8384 177.8614 50 D 4.2726 7.8191 119.5277 57.7701 40.6371 179.1420 51 E 4.1932 8.3474 118.6987 59.4616 29.3804 179.3649 52 M 4.0647 8.1583 119.0377 58.3055 31.9966 178.8188 53 K 3.9500 8.1462 118.7895 59.6702 32.1965 179.0946 54 H 4.0867 8.2280 116.1675 58.8113 28.6324 177.4995 55 A 4.2551 8.3329 122.7792 55.4091 18.1392 178.9646 56 D 4.3128 8.2290 116.3545 57.7558 41.2455 178.7993 57 R 3.8545 7.9106 118.3127 59.4514 30.0100 178.6179 58 Y 4.2993 7.8233 116.3989 61.2423 37.8612 178.8431 59 I 3.7837 8.2889 121.0328 64.6103 37.2218 178.4671 60 E 4.0493 8.5310 119.5698 59.0424 29.2305 179.5202 61 R 4.0052 8.0214 118.9702 59.5457 30.2166 178.2798 62 I 3.7472 8.4386 119.9616 64.7006 37.1526 178.3407 63 L 4.0220 8.1735 119.5107 57.7320 41.2169 179.4235 64 F 4.3702 8.1544 119.5847 61.2954 39.7313 176.6304 65 L 4.3274 8.3221 117.3090 53.9995 40.9553 177.1686 66 E 3.6777 7.9829 117.4781 57.4425 27.2179 174.5226 67 G 3.9561 8.1704 108.6166 44.0334 0.0000 173.6010 68 L 4.5119 8.0357 119.1760 52.0612 41.9554 175.1847 69 P 4.3773 0.0000 0.0000 62.5964 31.7591 175.9386 70 N 4.7138 9.5480 122.1674 52.4077 38.7604 173.8988 71 L 4.5989 8.2993 124.2568 54.5588 42.3867 177.5810 72 Q 4.1106 8.6051 122.2519 58.2893 29.3005 175.9629 73 D 4.7027 8.0298 116.6338 52.8278 42.0377 175.3027 74 L 4.5863 8.2570 125.0629 52.7397 44.1282 176.6209 75 G 3.8051 8.4598 115.4306 44.8435 0.0000 171.7317 76 K 4.1054 8.3170 120.7157 55.7280 32.4529 176.6473 77 L 4.0901 8.3853 126.8763 54.3886 42.2650 176.0807 78 N 4.8194 8.6903 121.7271 51.9834 39.8406 174.2562 79 I 3.8806 8.4975 126.5895 63.9854 37.7719 177.9445 80 G 4.3612 8.1642 103.0267 45.4790 0.0000 172.8667 81 E 4.7377 8.7597 117.4786 56.0088 31.1839 176.1042 82 D 4.9093 7.6722 118.1550 50.3308 43.9613 175.8709 83 V 4.0342 8.5657 119.4842 66.6082 31.3451 177.6409 84 E 3.8402 8.1781 117.9531 59.4592 29.4347 178.0681 85 E 4.0158 8.5007 119.4855 59.5337 29.5944 178.6855 86 M 4.1192 8.2965 116.9915 58.1335 31.5241 178.5071 87 L 4.1627 8.4885 120.5598 57.7049 41.8265 179.5309 88 R 3.9048 8.5224 119.0010 59.3004 29.9531 178.5917 89 S 4.1185 8.1117 113.2523 61.2923 62.3666 175.7239 90 D 4.2246 8.2236 121.6935 57.2684 40.5107 178.4617 91 L 3.9997 8.2362 120.5977 58.3304 42.0241 178.9786 92 A 3.9908 8.0493 120.5852 54.9233 18.2660 179.4175 93 L 3.8828 7.8401 119.0203 58.2573 42.0818 179.1028 94 E 4.0477 8.4255 118.6252 59.5009 29.6069 179.1709 95 L 4.0164 8.2005 119.2135 58.1633 41.7031 179.4892 96 D 4.5196 8.5278 119.0038 57.2130 40.6400 179.0887 97 G 3.6295 8.3564 106.2232 47.6315 0.0000 175.7159 98 A 4.0204 8.3923 123.4771 54.6419 18.4207 179.3713 99 K 3.7968 7.9548 117.8277 60.0337 32.3058 178.5294 100 N 4.3758 8.1390 116.3997 56.4046 38.4566 177.3964 101 L 3.9936 8.1246 120.3400 57.9509 41.6265 179.6671 102 R 3.9134 8.3738 118.3746 59.2795 29.9844 178.8168 103 E 3.8730 8.0640 118.2868 59.2257 29.7102 178.7374 104 A 2.8070 7.7736 120.7807 54.7329 18.3512 179.7140 105 I 3.7683 7.8814 118.6038 64.4330 36.9426 178.9173 106 G 3.5923 7.6051 105.6151 47.8218 0.0000 174.9002 107 Y 4.1140 7.7154 121.1937 60.2380 38.9000 177.2098 108 A 3.7969 8.3799 122.1817 55.4300 18.5169 179.0859 109 D 4.0900 7.9270 116.3925 57.2560 41.0764 178.2611 110 S 4.2145 7.4694 112.9412 59.8061 63.3810 175.6825 111 V 3.9954 6.8366 114.1178 60.7328 31.6202 175.4771 112 H 2.7780 6.9880 113.8109 56.7165 26.9376 176.4454 113 D 4.5224 7.3287 121.2820 53.4913 37.8213 176.1880 114 Y 4.2853 7.4408 121.1618 60.6061 38.3642 178.0620 115 V 3.7804 7.8674 113.1973 64.1724 31.8340 178.4000 116 S 4.1638 8.3219 114.9479 61.5600 62.5992 176.6128 117 R 3.8789 8.1269 121.2605 59.5252 29.8478 177.9369 118 D 4.3081 8.4602 118.0145 57.6920 41.3324 177.7323 119 M 3.9729 8.3075 118.8789 59.1090 32.0579 178.1466 120 M 4.1190 8.2004 118.7597 58.4102 32.1625 178.7605 121 I 3.7192 8.1070 120.3085 64.3061 37.3482 178.3403 122 E 3.9589 8.1598 119.4143 59.4416 29.3249 179.4028 123 I 3.5501 7.5670 119.6065 64.2450 37.0653 178.1178 124 L 3.9508 8.1953 121.4652 58.2469 42.0062 178.8805 125 R 3.8758 8.0583 118.4973 59.7185 29.9769 178.2471 126 D 4.3556 7.9508 118.2052 57.3493 40.7315 178.6349 127 E 4.0017 8.2285 119.2447 59.2805 29.3704 178.9825 128 E 4.1050 8.6241 119.9345 59.0246 29.6985 178.9792 129 G 3.7060 8.0098 105.4992 48.2558 0.0000 175.2547 130 H 4.4347 8.1952 118.8432 58.6890 28.6674 177.8723 131 I 3.8080 8.3262 121.9490 64.4919 36.9536 177.7581 132 D 4.3854 8.4689 119.0463 57.2360 41.0262 178.3081 133 W 4.1175 8.4225 128.5907 60.4315 30.7229 177.7828 134 L 3.7641 8.4634 119.1107 57.9654 41.1607 179.3587 135 E 3.9083 8.4465 118.5557 59.7438 29.3216 179.6803 136 T 3.7928 7.9402 115.5932 66.5394 68.5406 176.4514 137 E 3.7533 7.6243 120.3192 59.4841 29.5217 179.3966 138 L 3.7839 7.7989 118.9147 57.9843 41.5511 179.5036 139 D 4.3944 8.1137 118.6797 57.2312 40.6601 178.6835 140 L 3.9612 8.1846 119.9333 57.8273 41.5730 179.5267 141 I 3.4208 7.4725 119.6533 64.4639 36.7344 178.5388 142 Q 3.9365 7.3410 116.2142 58.7952 28.6540 178.5355 143 K 4.1274 8.1507 118.9643 59.1207 32.2731 178.5515 144 M 4.3701 8.3915 114.8159 54.1762 32.3946 177.4034 145 G 4.0827 7.5794 105.0667 45.7930 0.0000 174.3925 146 L 3.9567 8.3705 120.7567 58.0044 42.1562 179.2513 147 Q 3.9908 8.0272 117.4419 59.2887 28.8164 178.4594 148 N 4.3549 8.1808 116.8202 56.4032 38.3463 176.6991 149 Y 3.9356 7.8543 120.0933 60.6412 39.1465 177.8098 150 L 4.0914 8.3543 120.2356 57.9499 41.6335 179.2628 151 Q 3.9070 8.1883 119.1545 59.0806 28.7289 177.8856 152 A 4.0951 7.6431 119.8677 53.6373 18.6152 178.2530 153 Q 4.3238 7.8781 116.0043 55.6150 29.1744 177.5838 154 I 3.8929 7.3702 121.9836 63.3825 37.4272 176.6282 155 R 4.6520 7.5520 117.9867 53.7223 32.3223 175.6221 156 E 4.1275 8.7203 118.8587 56.6639 29.6043 176.6480 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 8.16 4.23 0.00 1.51 1.76 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.49 4.06 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.59 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 4 D 8.45 4.58 0.00 2.77 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 5 T 8.88 3.87 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 1.19 0.00 0.00 6 K 8.16 3.83 0.00 1.71 1.95 0.00 1.42 0.00 0.00 0.96 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.02 7.81 7 V 8.69 3.90 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 1.16 0.00 0.00 1.16 0.00 0.00 8 I 7.77 3.73 2.05 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 1.55 0.67 0.92 0.00 0.00 9 N 8.23 4.29 0.00 2.58 2.69 0.00 0.00 7.08 7.02 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 10 Y 8.10 4.09 0.00 3.30 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 11 L 8.70 3.93 0.00 2.03 1.80 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.52 4.37 0.00 2.79 2.82 0.00 0.00 6.70 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.26 3.86 0.00 1.80 1.98 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.18 3.80 0.00 1.00 1.11 0.95 0.52 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 15 L 7.89 3.94 0.00 1.67 1.84 1.06 1.14 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 16 G 8.16 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 17 N 8.04 4.35 0.00 2.97 2.91 0.00 0.00 7.03 7.76 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 18 E 8.33 4.09 0.00 2.25 2.27 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 2.74 2.89 0.00 19 L 8.30 4.24 0.00 1.65 1.73 0.94 1.30 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 20 V 7.73 3.64 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 0.83 0.00 0.00 0.94 0.00 0.00 21 A 8.12 3.85 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 0.00 0.00 22 I 8.21 3.76 2.04 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 1.55 1.03 0.90 0.00 0.00 23 N 7.82 4.40 0.00 2.80 2.87 0.00 0.00 6.75 7.94 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 24 Q 8.37 3.84 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 25 Y 8.26 4.33 0.00 3.22 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 26 F 8.47 3.78 0.00 3.42 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 27 L 8.26 3.92 0.00 1.96 1.58 0.89 1.08 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 28 H 8.08 3.75 0.00 3.54 3.19 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.34 4.14 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 30 R 7.74 3.78 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 31 M 7.83 3.40 0.00 0.90 1.63 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.12 0.00 32 F 7.65 4.64 0.00 3.31 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 33 K 8.31 3.94 0.00 1.97 1.88 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.90 4.23 0.00 2.67 2.69 0.00 0.00 7.35 8.72 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 35 W 7.84 4.76 0.00 3.75 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 36 G 8.31 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 37 L 7.99 4.48 0.00 2.20 1.67 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.34 3.92 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.69 1.11 1.13 0.31 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 41 N 8.11 4.45 0.00 3.13 2.99 0.00 0.00 7.10 8.98 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 42 D 8.00 4.32 0.00 2.87 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 43 V 7.62 3.32 1.76 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 -0.54 0.00 0.00 0.75 0.00 0.00 44 E 8.30 3.75 0.00 2.20 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 0.00 2.65 3.13 0.00 45 Y 8.17 3.90 0.00 2.96 3.03 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 46 H 8.22 4.20 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.77 3.67 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 1.93 2.03 0.00 48 S 8.03 4.10 0.00 3.95 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 49 I 7.28 3.55 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.85 0.00 0.00 50 D 7.82 4.27 0.00 2.83 2.68 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 51 E 8.35 4.19 0.00 2.16 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 2.69 2.79 0.00 52 M 8.16 4.06 0.00 2.04 2.23 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 2.77 2.55 0.00 53 K 8.15 3.95 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.23 4.09 0.00 3.57 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.33 4.26 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 0.00 0.00 56 D 8.23 4.31 0.00 2.92 2.87 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 57 R 7.91 3.85 0.00 1.81 1.76 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.82 4.30 0.00 3.24 2.96 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 59 I 8.29 3.78 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.95 0.00 0.00 60 E 8.53 4.05 0.00 2.02 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 2.35 2.64 0.00 61 R 8.02 4.01 0.00 2.16 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.44 3.75 2.07 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 1.59 0.82 0.99 0.00 0.00 63 L 8.17 4.02 0.00 2.09 1.80 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.15 4.37 0.00 3.01 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 65 L 8.32 4.33 0.00 1.67 1.61 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.68 0.00 2.05 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 2.17 2.28 0.00 67 G 8.17 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 0.00 0.00 0.00 68 L 8.04 4.51 0.00 1.63 1.63 0.92 0.99 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.55 4.71 0.00 2.59 2.81 0.00 0.00 7.10 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 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 72 Q 8.61 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.70 0.00 2.68 2.56 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 74 L 8.26 4.59 0.00 1.52 1.50 0.95 1.04 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 75 G 8.46 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.32 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.39 4.09 0.00 1.64 1.56 0.95 0.97 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 78 N 8.69 4.82 0.00 2.63 2.70 0.00 0.00 7.24 8.07 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 79 I 8.50 3.88 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.93 0.00 0.00 80 G 8.16 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 0.00 0.00 0.00 0.00 81 E 8.76 4.74 0.00 2.00 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 2.28 2.31 0.00 82 D 7.67 4.91 0.00 2.77 2.68 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 83 V 8.57 4.03 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 1.24 0.00 0.00 1.23 0.00 0.00 84 E 8.18 3.84 0.00 2.02 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 2.32 2.26 0.00 85 E 8.50 4.02 0.00 2.26 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 0.00 2.35 2.36 0.00 86 M 8.30 4.12 0.00 2.35 1.76 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.49 4.16 0.00 2.00 1.78 1.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.52 3.90 0.00 2.10 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.11 4.12 0.00 4.07 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 90 D 8.22 4.22 0.00 3.13 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 91 L 8.24 4.00 0.00 1.82 1.89 0.98 0.96 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 92 A 8.05 3.99 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 93 L 7.84 3.88 0.00 1.89 1.81 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.43 4.05 0.00 2.27 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 0.00 2.62 2.72 0.00 95 L 8.20 4.02 0.00 2.02 1.75 0.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.53 4.52 0.00 2.81 2.73 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 97 G 8.36 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 0.00 0.00 0.00 98 A 8.39 4.02 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 99 K 7.95 3.80 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.14 4.38 0.00 2.98 2.92 0.00 0.00 7.14 6.76 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 0.00 101 L 8.12 3.99 0.00 2.00 1.74 0.98 1.26 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 0.00 102 R 8.37 3.91 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.06 3.87 0.00 2.06 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 0.00 2.38 2.38 0.00 104 A 7.77 2.81 1.03 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 0.00 105 I 7.88 3.77 2.03 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 1.46 0.93 0.91 0.00 0.00 106 G 7.61 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 0.00 107 Y 7.72 4.11 0.00 3.16 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 0.00 108 A 8.38 3.80 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 0.00 109 D 7.93 4.09 0.00 2.85 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 0.00 110 S 7.47 4.21 0.00 3.96 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 0.00 111 V 6.84 4.00 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 0.62 0.00 0.00 0.64 0.00 0.00 112 H 6.99 2.78 0.00 3.19 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.33 4.52 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 0.00 114 Y 7.44 4.29 0.00 3.09 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 0.00 115 V 7.87 3.78 2.14 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 0.94 0.00 0.00 0.98 0.00 0.00 116 S 8.32 4.16 0.00 4.16 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 0.00 117 R 8.13 3.88 0.00 1.95 2.20 0.00 3.33 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 1.68 1.67 0.00 118 D 8.46 4.31 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.31 3.97 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.20 4.12 0.00 2.15 2.26 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 2.89 2.78 0.00 121 I 8.11 3.72 2.00 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 1.53 0.99 0.91 0.00 0.00 122 E 8.16 3.96 0.00 2.14 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 2.32 2.34 0.00 123 I 7.57 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.76 0.00 0.00 124 L 8.20 3.95 0.00 1.84 1.85 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.06 3.88 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.95 4.36 0.00 3.03 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 0.00 127 E 8.23 4.00 0.00 2.16 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 2.58 2.52 0.00 128 E 8.62 4.11 0.00 2.26 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 2.34 2.36 0.00 129 G 8.01 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 0.00 130 H 8.20 4.43 0.00 3.65 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.33 3.81 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 0.97 0.00 0.00 132 D 8.47 4.39 0.00 2.96 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 0.00 133 W 8.42 4.12 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 3.76 0.00 1.97 1.75 1.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.91 0.00 2.18 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 0.00 2.33 2.48 0.00 136 T 7.94 3.79 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 1.17 0.00 0.00 137 E 7.62 3.75 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.80 3.78 0.00 1.70 1.62 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.39 0.00 2.78 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 0.00 140 L 8.18 3.96 0.00 1.87 1.85 0.97 0.68 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 0.00 141 I 7.47 3.42 1.71 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.28 0.69 0.00 0.00 142 Q 7.34 3.94 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.15 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.39 4.37 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 145 G 7.58 4.08 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 0.00 0.00 0.00 146 L 8.37 3.96 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.18 4.35 0.00 2.97 2.89 0.00 0.00 6.65 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.85 3.94 0.00 3.05 3.18 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 0.00 150 L 8.35 4.09 0.00 2.03 1.70 1.07 0.84 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 0.00 151 Q 8.19 3.91 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.64 4.10 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 0.00 153 Q 7.88 4.32 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.37 3.89 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.11 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 2.26 2.29 0.00