NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2159 8.3001 118.1944 55.8904 32.4187 176.4822 2 A 3.5426 8.7483 127.8952 49.9451 17.5950 172.8875 3 N 4.9042 8.8478 114.4581 52.0306 40.5242 171.4043 4 D 4.1626 8.1261 119.4139 52.2813 40.8398 174.7732 5 T 3.1838 8.1007 132.7603 62.9691 65.6869 169.7310 6 P 4.3523 0.0000 0.0000 63.1343 30.5793 177.7835 7 F 3.6560 9.0623 128.0953 59.1813 38.5023 172.4072 8 S 3.6210 7.2212 111.1738 60.1302 61.3887 172.4582 9 A 4.0211 7.8748 124.8061 55.3977 18.8854 179.7292 10 L 3.8762 7.7569 117.1917 57.4485 41.6359 179.2007 11 W 3.8980 7.6437 128.2130 60.4359 30.3013 178.0898 12 Q 3.9668 7.6596 117.2840 58.9611 28.3534 178.3300 13 R 3.9996 7.7943 119.4727 58.9004 30.1981 178.2232 14 L 3.7307 7.7551 119.8767 58.2685 40.2432 178.9056 15 L 4.0850 7.1997 121.6967 57.5365 41.9454 178.8013 16 T 4.2931 7.2716 115.3840 64.8335 68.4696 174.3154 17 R 4.3390 7.8418 116.3690 57.3916 30.9256 172.7822 18 G 4.3093 9.2249 112.5966 44.9936 0.0000 171.8456 19 W 5.3521 7.8704 118.4451 54.9684 31.2939 175.7544 20 Q 4.6698 8.0885 123.8198 54.2653 32.2543 171.4031 21 P 5.1145 0.0000 0.0000 63.0775 31.9816 175.9568 22 V 4.4197 8.3244 120.4169 59.9219 34.6110 173.5195 23 E 4.5048 8.1590 118.6069 56.1913 33.5545 173.8319 24 A 4.4547 8.4770 119.3708 54.8240 20.3043 179.0987 25 S 4.4147 7.9285 107.6079 60.1318 62.7693 174.6363 26 T 4.6853 7.5471 113.3940 60.7935 68.7600 175.5211 27 V 3.6754 7.8986 123.0557 64.6626 31.3122 177.8125 28 D 4.3854 8.1764 119.1781 57.5712 40.6520 178.3741 29 D 4.3127 8.0995 117.7177 56.7613 41.2623 177.8333 30 W 3.9713 7.9685 128.7550 60.5379 30.7379 178.0252 31 I 3.6587 8.1911 119.9619 64.2903 36.3085 178.3621 32 K 3.9464 8.0254 119.5023 59.3454 32.0494 178.6046 33 R 3.8990 7.8718 118.5098 59.2033 30.1024 178.2461 34 V 3.7551 7.3400 111.6830 61.8931 32.0784 178.2345 35 G 3.7786 9.1450 105.2660 45.5188 0.0000 172.4350 36 D 4.4537 6.7054 119.0610 55.0099 44.0638 174.6612 37 G 4.2756 7.7534 112.9785 46.7288 0.0000 170.0648 38 V 5.2464 8.2472 111.9794 59.6376 36.2696 175.1156 39 I 4.4938 8.5620 124.1992 59.5281 39.5271 174.3603 40 L 4.5527 8.9446 131.2404 53.5950 43.2094 175.5137 41 L 4.6010 8.3796 127.2022 53.9891 42.3380 177.5535 42 S 4.1363 8.2616 117.8791 58.5554 63.3639 173.7740 43 S 4.1318 8.5223 119.3998 59.0721 62.6112 174.0688 44 D 4.6047 8.6532 124.9199 53.0555 41.7709 173.9722 45 P 4.1888 0.0000 0.0000 63.6856 31.0548 175.7133 46 R 4.2456 8.6844 123.7277 55.3083 30.6290 177.4140 47 R 3.7209 8.1127 116.1780 57.1163 28.6074 172.2483 48 T 3.2346 8.5093 120.3042 62.7966 64.9741 169.9514 49 P 4.1950 0.0000 0.0000 63.4878 32.0792 178.3526 50 E 3.6502 8.9849 122.1656 57.0099 28.3056 173.2514 51 V 3.1927 8.2375 115.1055 64.1630 28.7991 171.0477 52 S 4.2510 7.9421 116.7031 57.4603 63.4396 174.2173 53 D 4.4330 8.6109 126.1942 54.3526 40.7971 175.7735 54 N 4.6281 8.7246 121.8697 52.6401 39.2971 173.7491 55 P 4.8542 0.0000 0.0000 63.1342 31.4916 178.3602 56 V 3.7359 7.6889 119.5239 66.0454 31.3168 177.8327 57 M 4.2577 8.2809 118.3783 58.5779 31.7227 178.5278 58 I 3.7639 7.9382 119.2976 64.3362 37.0575 178.3606 59 A 4.3530 8.4589 121.2759 54.9991 18.2882 179.0989 60 E 4.0562 8.7507 118.3565 59.5939 29.6779 178.8402 61 L 4.2102 8.5141 119.4116 57.9216 41.5127 179.0521 62 L 4.2042 7.9728 119.0297 58.7663 42.0444 179.0645 63 R 4.3608 7.6955 114.3125 58.4024 30.3144 177.8140 64 E 4.6651 8.1567 116.0612 55.8271 29.7822 176.2063 65 F 4.3868 7.9190 123.0598 56.2599 38.9903 173.3994 66 P 4.6395 0.0000 0.0000 63.0122 31.4017 176.9832 67 Q 4.0684 7.6298 120.9230 57.8112 29.5701 175.3191 68 F 5.0651 8.2083 112.1538 55.3237 41.4184 174.6542 69 D 4.6854 8.4024 122.1043 52.5788 39.5382 175.4433 70 W 5.1990 7.6324 120.5158 54.5267 30.5653 175.7871 71 Q 4.6601 8.2708 118.4206 54.1474 31.7686 175.5184 72 V 4.0305 8.1184 122.6726 61.3335 32.5765 173.9175 73 A 4.6646 8.4035 131.1526 50.4279 20.4044 176.1359 74 V 4.6381 8.6341 115.8829 59.3482 35.3571 174.6708 75 A 4.4875 8.3899 125.4327 50.6804 19.7280 176.6259 76 D 4.2703 9.0258 122.1723 56.0337 41.8090 176.3249 77 L 4.7723 7.0334 116.6220 56.3210 48.0201 177.4637 78 E 3.9273 8.0801 120.4419 58.2803 29.6309 178.7505 79 Q 3.9847 8.1247 117.7808 58.9278 28.6374 178.6127 80 S 4.0048 7.8312 113.9729 61.3038 62.2960 175.9188 81 E 3.7935 8.0950 121.5619 59.2220 29.4196 178.7238 82 A 3.8867 7.7874 120.2546 55.0864 18.2395 179.5412 83 I 3.4976 7.8869 118.5930 64.5090 37.2409 179.0599 84 G 3.3454 8.4372 106.7733 47.5098 0.0000 175.2944 85 D 4.1973 8.0004 120.4366 56.9928 41.0003 177.9236 86 R 3.8580 7.2546 118.6671 58.5392 29.9195 176.8714 87 F 4.8312 5.9611 109.5400 55.5423 38.6320 174.4281 88 N 4.1194 7.8882 119.7282 54.7811 36.5771 173.4181 89 V 4.3219 8.7988 116.5658 61.6341 33.9933 175.3799 90 R 3.8109 7.9666 119.8205 57.0774 30.0453 174.1725 91 R 4.5205 8.1503 131.3898 56.7454 33.5693 173.9753 92 F 4.9422 7.3485 110.1778 54.0194 40.6019 171.7352 93 P 4.3646 0.0000 0.0000 63.6553 31.4620 175.0999 94 A 4.9155 8.4270 124.8618 50.5945 23.6205 174.1241 95 T 4.9154 8.6819 115.5524 61.7532 71.5832 173.6812 96 L 4.3568 8.8048 127.2345 53.7500 43.7574 175.9374 97 V 4.1815 8.5160 124.2831 61.6849 33.3215 174.7192 98 F 4.8602 9.1766 128.7164 56.2472 40.3798 174.5417 99 T 4.8322 8.6975 114.7856 60.5493 71.2067 174.7277 100 D 4.5857 9.5785 122.2712 54.7550 39.6915 174.4353 101 G 4.0439 8.3490 104.0991 45.3143 0.0000 173.7891 102 K 4.7319 7.9835 118.8451 53.9384 35.2000 175.1960 103 L 4.1787 8.5342 124.1991 54.9863 42.5204 176.0895 104 R 4.4042 8.3304 124.3009 57.5184 33.0156 175.4857 105 G 4.1677 7.4128 102.9810 45.8064 0.0000 171.1653 106 A 4.9893 8.2726 119.2402 50.5720 22.4282 175.8213 107 L 4.5056 9.1786 123.8379 53.8728 43.0680 177.3745 108 S 4.4712 9.2454 121.4130 59.2195 64.0030 174.8739 109 G 3.8459 9.3827 108.3931 46.4653 0.0000 174.6068 110 I 3.9114 8.2227 121.3135 62.2803 38.1001 175.5212 111 H 4.5864 8.9913 121.8859 53.1805 30.1654 170.3358 112 P 4.3513 0.0000 0.0000 63.4626 31.4695 176.8962 113 W 3.7206 9.2499 135.0000 58.4354 30.4985 175.9075 114 A 4.2599 8.7181 120.3175 55.2032 17.7083 179.1507 115 E 4.1240 8.1569 115.3452 58.6918 29.7243 179.1694 116 L 4.0611 7.8691 120.7646 57.7211 41.2901 179.3069 117 L 4.0617 7.6896 118.0955 57.9616 41.3799 179.5993 118 T 3.9203 7.7176 114.0162 66.2933 69.1524 176.8423 119 L 4.1538 8.4401 121.1370 58.2403 41.7256 179.5258 120 M 4.1740 7.8323 118.5450 58.2379 31.5983 178.7238 121 R 3.7548 7.3776 118.0814 59.4991 30.2546 178.1929 122 S 4.2501 7.7444 111.7633 60.8085 62.4248 175.8717 123 I 4.1950 7.4797 121.4353 62.5892 37.9897 176.5487 124 V 4.1891 8.2384 115.9234 58.3905 31.8663 175.2433 125 D 4.1863 8.5505 123.9762 57.1722 41.3152 177.6312 126 T 3.8102 7.0883 115.9358 62.3984 68.6800 172.0825 127 P 4.0262 0.0000 0.0000 63.7254 31.3478 174.9851 128 A 4.1869 8.5757 125.0557 53.0226 20.1068 176.2319 129 A 4.6129 7.2596 114.8206 50.9615 22.3174 176.2947 130 Q 4.2925 8.0352 117.6629 53.8901 29.9902 174.1165 131 E 4.6460 8.4946 122.2070 57.1711 31.7549 174.3984 132 T 3.3870 8.2935 119.7642 61.5553 66.9679 172.4800 133 V 3.2913 7.5347 121.6902 63.6407 29.4560 172.8577 134 Q 4.1237 7.9048 122.5474 55.7144 29.2708 174.5963 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 8.30 4.22 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 A 8.75 3.54 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 3 N 8.85 4.90 0.00 2.79 2.79 0.00 0.00 5.94 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 4 D 8.13 4.16 0.00 2.68 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 5 T 8.10 3.18 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 1.29 0.00 0.00 6 P 0.00 4.35 0.00 2.10 2.09 0.00 3.85 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 2.05 2.10 0.00 7 F 9.06 3.66 0.00 3.07 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 8 S 7.22 3.62 0.00 4.07 3.77 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 9 A 7.87 4.02 1.28 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 0.00 0.00 10 L 7.76 3.88 0.00 1.60 1.65 0.97 0.83 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 11 W 7.64 3.90 0.00 2.79 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 12 Q 7.66 3.97 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 13 R 7.79 4.00 0.00 1.77 1.81 0.00 3.25 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 14 L 7.76 3.73 0.00 1.14 1.43 -0.06 -0.26 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 15 L 7.20 4.09 0.00 1.70 1.70 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.27 4.29 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 17 R 7.84 4.34 0.00 1.90 1.90 0.00 3.03 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 18 G 9.22 4.31 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 0.00 19 W 7.87 5.35 0.00 3.19 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 20 Q 8.09 4.67 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.23 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 21 P 0.00 5.11 0.00 2.15 2.42 0.00 3.76 0.00 0.00 3.67 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 22 V 8.32 4.42 1.69 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 -0.03 0.00 0.00 0.59 0.00 0.00 23 E 8.16 4.50 0.00 1.85 1.80 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 2.18 2.26 0.00 24 A 8.48 4.45 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 25 S 7.93 4.41 0.00 3.86 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 26 T 7.55 4.69 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 27 V 7.90 3.68 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.76 0.00 0.00 28 D 8.18 4.39 0.00 2.81 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 29 D 8.10 4.31 0.00 2.81 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 30 W 7.97 3.97 0.00 3.38 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 31 I 8.19 3.66 1.98 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.67 0.99 0.00 0.00 32 K 8.03 3.95 0.00 1.86 2.00 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 33 R 7.87 3.90 0.00 1.92 1.76 0.00 3.22 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 34 V 7.34 3.76 1.65 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 0.03 0.00 0.00 0.02 0.00 0.00 35 G 9.15 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 0.00 0.00 0.00 36 D 6.71 4.45 0.00 2.89 2.49 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 37 G 7.75 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 0.00 0.00 0.00 0.00 38 V 8.25 5.25 1.89 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 0.25 0.00 0.00 0.39 0.00 0.00 39 I 8.56 4.49 2.03 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.09 0.89 0.00 0.00 40 L 8.94 4.55 0.00 1.39 1.31 0.61 0.43 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 41 L 8.38 4.60 0.00 1.70 1.53 1.06 0.70 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 42 S 8.26 4.14 0.00 3.91 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 43 S 8.52 4.13 0.00 3.75 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 44 D 8.65 4.60 0.00 2.56 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 45 P 0.00 4.19 0.00 2.08 2.15 0.00 3.75 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 2.01 2.00 0.00 46 R 8.68 4.25 0.00 1.93 1.98 0.00 3.53 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 47 R 8.11 3.72 0.00 2.02 2.01 0.00 3.37 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 48 T 8.51 3.23 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 1.21 0.00 0.00 49 P 0.00 4.20 0.00 2.03 1.98 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 50 E 8.98 3.65 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 51 V 8.24 3.19 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 0.76 0.00 0.00 0.93 0.00 0.00 52 S 7.94 4.25 0.00 3.85 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 53 D 8.61 4.43 0.00 2.69 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 54 N 8.72 4.63 0.00 2.81 2.81 0.00 0.00 7.21 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 55 P 0.00 4.85 0.00 2.77 2.35 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 56 V 7.69 3.74 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 1.06 0.00 0.00 0.94 0.00 0.00 57 M 8.28 4.26 0.00 2.24 2.23 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 2.80 2.78 0.00 58 I 7.94 3.76 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.60 0.00 0.00 59 A 8.46 4.35 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.75 4.06 0.00 2.31 2.35 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 2.48 2.60 0.00 61 L 8.51 4.21 0.00 1.99 1.85 0.62 0.53 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 62 L 7.97 4.20 0.00 1.80 2.10 0.98 1.01 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 63 R 7.70 4.36 0.00 2.00 2.07 0.00 3.30 0.00 0.00 3.62 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 64 E 8.16 4.67 0.00 2.39 2.24 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 2.73 2.70 0.00 65 F 7.92 4.39 0.00 3.41 3.11 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 66 P 0.00 4.64 0.00 2.21 2.15 0.00 3.55 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 2.00 1.89 0.00 67 Q 7.63 4.07 0.00 1.96 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 5.80 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 68 F 8.21 5.07 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.40 4.69 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 70 W 7.63 5.20 0.00 3.02 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 71 Q 8.27 4.66 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 72 V 8.12 4.03 1.42 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 0.48 0.00 0.00 73 A 8.40 4.66 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.63 4.64 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 -0.23 0.00 0.00 1.13 0.00 0.00 75 A 8.39 4.49 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 76 D 9.03 4.27 0.00 2.64 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 77 L 7.03 4.77 0.00 1.77 1.70 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.08 3.93 0.00 2.02 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 0.00 2.34 2.37 0.00 79 Q 8.12 3.98 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 80 S 7.83 4.00 0.00 3.87 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 81 E 8.09 3.79 0.00 2.05 1.96 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 2.24 2.27 0.00 82 A 7.79 3.89 1.25 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 83 I 7.89 3.50 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.02 0.00 0.00 84 G 8.44 3.35 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 0.00 85 D 8.00 4.20 0.00 2.82 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 86 R 7.25 3.86 0.00 1.81 1.59 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 87 F 5.96 4.83 0.00 2.96 3.12 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 0.00 88 N 7.89 4.12 0.00 2.86 2.90 0.00 0.00 6.78 7.86 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 89 V 8.80 4.32 2.35 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 0.67 0.00 0.00 1.16 0.00 0.00 90 R 7.97 3.81 0.00 1.59 1.77 0.00 3.29 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 91 R 8.15 4.52 0.00 1.79 1.92 0.00 3.45 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 92 F 7.35 4.94 0.00 3.15 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 93 P 0.00 4.36 0.00 2.15 2.17 0.00 3.92 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 94 A 8.43 4.92 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 95 T 8.68 4.92 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 0.99 0.00 0.00 96 L 8.80 4.36 0.00 1.54 0.83 0.47 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.52 4.18 2.13 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 1.22 0.00 0.00 0.94 0.00 0.00 98 F 9.18 4.86 0.00 3.32 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 99 T 8.70 4.83 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 1.48 0.00 0.00 100 D 9.58 4.59 0.00 2.85 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 0.00 101 G 8.35 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 0.00 102 K 7.98 4.73 0.00 1.93 1.70 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.37 7.81 103 L 8.53 4.18 0.00 1.30 1.43 -0.35 0.23 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 0.00 104 R 8.33 4.40 0.00 1.68 1.87 0.00 3.37 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 105 G 7.41 4.17 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 0.00 0.00 0.00 106 A 8.27 4.99 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 0.00 0.00 0.00 0.00 0.00 107 L 9.18 4.51 0.00 1.63 1.51 0.99 1.04 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 0.00 108 S 9.25 4.47 0.00 4.14 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 0.00 109 G 9.38 3.85 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 0.00 0.00 0.00 110 I 8.22 3.91 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.34 0.87 0.00 0.00 111 H 8.99 4.59 0.00 3.11 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.35 0.00 2.34 2.17 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 113 W 9.25 3.72 0.00 3.74 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 0.00 114 A 8.72 4.26 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 0.00 115 E 8.16 4.12 0.00 2.18 2.25 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 2.56 2.36 0.00 116 L 7.87 4.06 0.00 1.63 1.55 -0.11 0.34 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 0.00 117 L 7.69 4.06 0.00 1.91 1.76 1.11 0.83 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 0.00 118 T 7.72 3.92 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 1.22 0.00 0.00 119 L 8.44 4.15 0.00 1.75 1.72 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 M 7.83 4.17 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.84 0.00 121 R 7.38 3.75 0.00 2.17 2.08 0.00 3.41 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 122 S 7.74 4.25 0.00 3.94 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 0.00 123 I 7.48 4.20 1.99 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 1.63 0.92 0.94 0.00 0.00 124 V 8.24 4.19 1.71 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 0.64 0.00 0.00 0.81 0.00 0.00 125 D 8.55 4.19 0.00 2.59 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 0.00 126 T 7.09 3.81 4.01 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 1.12 0.00 0.00 127 P 0.00 4.03 0.00 2.11 2.06 0.00 3.67 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 1.94 1.95 0.00 128 A 8.58 4.19 1.06 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 0.00 0.00 129 A 7.26 4.61 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.04 4.29 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 131 E 8.49 4.65 0.00 1.88 1.80 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 1.99 2.10 0.00 132 T 8.29 3.39 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 1.19 0.00 0.00 133 V 7.53 3.29 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 0.82 0.00 0.00 0.94 0.00 0.00 134 Q 7.90 4.12 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00