NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8576 8.3549 109.7365 45.5124 0.0000 173.5914 2 S 4.2365 8.1824 115.0659 55.0021 64.1153 172.8771 3 S 3.6423 9.6760 123.5618 61.4508 63.7534 174.5025 4 G 3.7472 8.0083 111.3645 47.2537 0.0000 173.3548 5 S 4.4696 8.1876 121.3709 58.5948 66.5931 172.6992 6 S 4.5316 8.1518 115.0910 58.0954 64.7853 174.5541 7 G 4.0865 8.0832 110.5515 43.0258 0.0000 170.5618 8 P 4.4400 0.0000 0.0000 62.9218 32.4046 176.4742 9 A 4.5433 7.6590 120.0573 51.7914 21.8360 175.9292 10 T 4.1676 7.8637 111.6046 61.6993 70.1043 171.7963 11 D 4.5268 8.4149 125.5520 53.7050 43.8936 174.6911 12 W 4.9460 9.0697 120.7716 54.9301 29.9962 175.1121 13 L 4.2818 7.8883 118.5396 54.3553 43.0281 176.0903 14 S 4.2264 7.5520 113.3290 56.0736 62.0297 172.3546 15 A 4.2741 7.5469 126.7092 50.8298 21.3549 175.6964 16 E 4.2362 8.6830 118.3624 56.9018 30.5208 176.8106 17 T 4.3896 8.0322 114.1173 66.3219 68.6017 174.9504 18 F 3.6913 8.2030 117.2091 58.1535 38.0736 175.0325 19 E 3.8100 8.0623 120.8571 56.7054 29.8146 177.6058 20 S 4.0017 8.4955 120.3352 60.6184 63.6638 174.8160 21 D 4.3614 8.1527 120.3369 56.9837 41.0611 176.4157 22 L 3.7720 6.9452 115.9120 54.6274 42.5110 177.4219 23 D 4.4742 8.5862 121.4331 54.1163 39.4946 175.5444 24 E 4.4552 8.3455 124.0728 55.7907 30.2705 176.2978 25 T 4.2849 7.5714 111.1679 62.0788 67.8054 174.1778 26 R 4.7541 7.3779 115.2953 54.6519 32.8019 174.7495 27 V 4.0688 8.0771 111.8031 59.8283 32.3848 174.9260 28 P 4.3144 0.0000 0.0000 62.2779 30.4402 175.8837 29 E 4.1655 8.6575 122.1542 55.4981 30.0143 176.7431 30 V 3.5270 8.2485 117.6647 61.1484 31.4980 174.3827 31 P 4.6347 0.0000 0.0000 62.0186 32.2702 176.2820 32 S 4.2826 7.9167 113.4668 61.1058 62.5663 174.0583 33 S 4.6201 7.4218 113.0877 57.9569 67.0597 174.3945 34 L 4.6070 8.5810 122.4947 54.5343 44.4330 174.1589 35 H 5.1564 9.6530 127.2106 54.6054 32.5004 173.5202 36 V 4.8138 8.1029 116.4833 59.5006 35.6668 174.9663 37 R 4.5531 8.6570 125.1204 53.5774 32.2293 172.8006 38 P 4.7860 0.0000 0.0000 62.8347 32.2373 175.7356 39 L 4.5046 8.5937 123.4480 52.9352 45.4366 176.9875 40 V 3.3654 8.1043 116.9768 64.7103 32.6395 176.7730 41 T 4.6677 7.6963 106.5388 61.2747 70.5680 172.8346 42 S 5.2879 7.7294 117.1932 58.6876 68.5800 173.1586 43 I 4.4467 7.8568 119.9580 61.0638 40.6586 174.9006 44 V 4.3354 8.6706 129.7815 62.1734 31.8507 175.0730 45 V 4.5388 9.4230 129.9894 61.9535 32.1913 174.2246 46 S 5.0703 9.0089 124.1862 56.2774 65.0611 173.4731 47 W 5.3306 7.9774 121.5743 54.7097 31.2316 174.4096 48 T 4.8464 8.2763 107.5512 59.3501 70.9160 172.2905 49 P 4.8123 0.0000 0.0000 61.7186 33.2142 173.6169 50 P 4.5953 0.0000 0.0000 62.7672 32.0004 176.3640 51 E 3.8954 8.9627 122.5330 59.4906 29.5556 177.2397 52 N 4.4597 8.0681 117.9793 53.8688 38.6076 174.2278 53 Q 4.6432 8.4484 127.3270 56.6872 29.7217 176.4473 54 N 4.9083 7.6728 116.2816 53.8582 41.9850 175.5442 55 I 4.7734 7.6453 119.5175 60.2858 37.9479 176.1223 56 V 3.5490 8.4372 127.3100 63.2230 31.8988 175.2972 57 V 3.9885 8.0553 129.0287 61.4341 32.1351 175.5295 58 R 4.0150 8.5360 127.8198 58.5645 30.7993 176.6586 59 G 3.6807 6.0552 102.3305 46.0493 0.0000 171.1953 60 Y 5.4858 7.7388 116.5425 55.9304 42.4801 174.7157 61 A 5.0229 8.7446 121.0965 50.3048 22.5018 175.4824 62 I 4.5840 8.3100 122.9102 58.7553 39.7427 174.7064 63 G 4.4057 8.2184 115.3485 44.6127 0.0000 171.2846 64 Y 5.9145 8.6842 121.6088 53.6486 42.4820 173.6385 65 G 4.3716 8.8738 110.9982 44.2206 0.0000 172.3673 66 I 3.3658 7.4976 125.1530 62.8689 37.3882 174.2749 67 G 4.2575 10.3729 115.2249 45.7600 0.0000 173.3729 68 S 4.5868 7.3072 111.8172 56.0488 65.1728 173.3971 69 P 4.1150 0.0000 0.0000 65.5688 31.4464 177.1977 70 H 3.9696 8.2847 115.3708 58.5658 28.4849 175.8783 71 A 3.9276 7.0528 120.8392 54.8810 18.6236 176.9849 72 Q 4.5465 7.8049 112.1099 54.1915 33.3185 174.1834 73 T 5.0994 8.1875 116.6809 61.9402 72.8436 173.3391 74 I 4.4963 8.9223 125.6055 59.4257 40.4963 174.4737 75 K 5.0514 8.6487 125.9625 55.0367 34.2718 175.8818 76 V 4.6246 7.9845 115.7244 60.3036 36.7175 173.9476 77 D 4.9209 8.0400 117.4421 53.5308 42.2884 177.7394 78 Y 4.5223 8.7908 119.7082 60.7845 37.8889 178.1844 79 K 4.1934 7.1673 118.8781 58.8320 32.2217 177.4079 80 Q 3.9177 7.7034 116.5414 56.6864 29.2689 176.6334 81 R 3.7099 8.2754 122.2043 57.2736 31.3010 174.9561 82 Y 4.2944 6.4446 112.6818 55.3653 41.4521 173.7878 83 Y 4.4634 9.6314 121.6520 56.3593 42.0594 174.6073 84 T 4.8689 8.0040 123.7801 62.1872 68.7962 173.7414 85 I 3.9547 8.6620 127.5610 61.3271 37.7962 175.6713 86 E 4.4747 8.5785 128.0165 54.5618 31.8490 175.3905 87 N 4.0512 8.2101 114.2197 54.6894 35.8604 172.1042 88 L 4.6837 7.6291 116.5609 53.9503 45.3917 176.4076 89 D 5.0405 7.8509 119.6832 52.1797 42.2075 174.8586 90 P 4.6029 0.0000 0.0000 61.7500 32.4168 175.7172 91 S 3.8836 8.2023 113.4234 59.0860 60.5152 172.8722 92 S 4.7801 8.0513 114.2787 57.5398 68.1453 174.7068 93 H 4.9579 8.9609 125.0462 56.2700 29.8409 173.6548 94 Y 4.3695 8.9788 124.7998 56.3878 40.1891 175.4243 95 V 4.0055 8.0369 124.3380 62.1125 32.2762 174.3854 96 I 5.0048 8.2746 129.6387 60.2285 39.0032 175.2118 97 T 5.1192 8.7684 116.0820 58.9578 72.7281 172.5923 98 L 5.5491 8.4019 122.9226 53.4388 45.9541 174.4439 99 K 5.0096 8.6077 124.0471 55.1471 36.4389 174.7163 100 A 4.9323 8.7800 125.4557 50.9986 20.1213 175.9694 101 F 5.4724 8.2209 117.0026 55.2295 41.6115 173.8761 102 N 5.0215 9.3871 117.7756 51.4022 40.6166 174.3246 103 N 4.2917 9.0774 115.1821 56.2864 37.3199 176.5286 104 V 3.6781 7.7237 118.0124 63.6888 32.0210 175.8490 105 G 3.9365 7.8643 105.9461 46.0427 0.0000 170.8425 106 E 4.9006 8.4197 118.3731 55.0760 31.7661 176.8023 107 G 4.2839 8.4132 111.1478 45.0537 0.0000 172.5764 108 I 4.5490 8.2003 116.2312 58.5766 39.0195 174.6939 109 P 4.7308 0.0000 0.0000 62.8500 32.5456 175.2172 110 L 4.9973 8.7144 120.1511 53.3979 45.1877 175.0053 111 Y 4.8706 8.6340 117.3594 56.5413 40.4904 174.9507 112 E 5.0816 8.7172 123.0607 54.7250 34.2237 174.8663 113 S 4.9109 8.5690 113.3775 57.1364 66.3694 173.9667 114 A 4.4451 8.7962 123.7716 51.0732 22.0860 175.3676 115 V 4.7339 8.4435 123.7291 61.8560 32.2725 175.7741 116 T 4.0745 8.3167 119.0326 61.8632 69.5720 174.2458 117 R 4.1767 8.5887 123.6678 55.3890 31.2115 174.8035 118 P 4.3964 0.0000 0.0000 62.3708 31.6075 175.5535 119 H 4.0560 9.3148 124.1900 59.4427 29.8343 177.2562 120 T 3.6135 8.7158 106.1362 64.1668 67.6000 171.6070 121 S 3.7253 8.7287 110.4028 58.7764 62.4404 170.6248 122 G 3.0541 7.8107 110.1367 45.4750 0.0000 172.8660 123 P 4.5049 0.0000 0.0000 63.9522 31.9996 177.8403 124 S 4.0799 7.2625 113.0228 59.7831 62.7829 173.0306 125 S 3.7847 8.8343 117.2725 59.0135 60.3152 171.6614 126 G 3.7392 7.9365 112.4366 45.7228 0.0000 172.9978 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 8.35 3.86 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 0.00 0.00 0.00 2 S 8.18 4.24 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.68 3.64 0.00 4.04 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 4 G 8.01 3.75 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 0.00 0.00 0.00 5 S 8.19 4.47 0.00 3.82 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 6 S 8.15 4.53 0.00 3.78 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 7 G 8.08 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 0.00 0.00 0.00 8 P 0.00 4.44 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 A 7.66 4.54 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 10 T 7.86 4.17 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 1.23 0.00 0.00 11 D 8.41 4.53 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 W 9.07 4.95 0.00 3.64 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 13 L 7.89 4.28 0.00 1.58 1.55 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.55 4.23 0.00 3.44 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 15 A 7.55 4.27 1.19 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 16 E 8.68 4.24 0.00 2.07 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 2.27 2.45 0.00 17 T 8.03 4.39 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 1.26 0.00 0.00 18 F 8.20 3.69 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 19 E 8.06 3.81 0.00 2.01 1.73 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 2.33 2.33 0.00 20 S 8.50 4.00 0.00 3.94 3.92 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 21 D 8.15 4.36 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 22 L 6.95 3.77 0.00 1.50 1.67 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.59 4.47 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.35 4.46 0.00 1.81 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 0.00 2.21 2.21 0.00 25 T 7.57 4.28 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 1.27 0.00 0.00 26 R 7.38 4.75 0.00 1.89 1.83 0.00 3.08 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 1.67 1.62 0.00 27 V 8.08 4.07 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 0.75 0.00 0.00 0.98 0.00 0.00 28 P 0.00 4.31 0.00 2.19 2.08 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 29 E 8.66 4.17 0.00 2.12 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 2.30 2.35 0.00 30 V 8.25 3.53 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 0.75 0.00 0.00 0.99 0.00 0.00 31 P 0.00 4.63 0.00 2.43 2.22 0.00 3.86 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 2.05 2.00 0.00 32 S 7.92 4.28 0.00 3.96 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 33 S 7.42 4.62 0.00 3.78 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 34 L 8.58 4.61 0.00 1.73 1.58 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.65 5.16 0.00 3.19 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.10 4.81 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 0.76 0.00 0.00 0.97 0.00 0.00 37 R 8.66 4.55 0.00 1.81 1.84 0.00 3.05 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 38 P 0.00 4.79 0.00 2.26 2.04 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 39 L 8.59 4.50 0.00 1.64 1.52 0.94 0.74 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 40 V 8.10 3.37 2.03 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 0.87 0.00 0.00 0.88 0.00 0.00 41 T 7.70 4.67 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 42 S 7.73 5.29 0.00 3.74 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 43 I 7.86 4.45 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.90 0.00 0.00 44 V 8.67 4.34 2.03 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 0.77 0.00 0.00 0.91 0.00 0.00 45 V 9.42 4.54 2.51 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 1.08 0.00 0.00 1.03 0.00 0.00 46 S 9.01 5.07 0.00 3.80 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 47 W 7.98 5.33 0.00 3.18 3.21 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 48 T 8.28 4.85 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 1.19 0.00 0.00 49 P 0.00 4.81 0.00 2.24 2.40 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 50 P 0.00 4.60 0.00 2.25 2.17 0.00 3.97 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 51 E 8.96 3.90 0.00 1.98 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 2.34 2.43 0.00 52 N 8.07 4.46 0.00 2.69 2.77 0.00 0.00 6.92 7.07 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 53 Q 8.45 4.64 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 54 N 7.67 4.91 0.00 2.56 2.77 0.00 0.00 7.07 7.29 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 55 I 7.65 4.77 1.86 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 1.20 1.30 0.94 0.00 0.00 56 V 8.44 3.55 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 0.68 0.00 0.00 0.81 0.00 0.00 57 V 8.06 3.99 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 0.38 0.00 0.00 0.97 0.00 0.00 58 R 8.54 4.01 0.00 1.45 1.88 0.00 3.49 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 59 G 6.06 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 0.00 0.00 0.00 60 Y 7.74 5.49 0.00 2.55 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 61 A 8.74 5.02 1.17 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 62 I 8.31 4.58 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.32 0.92 0.00 0.00 63 G 8.22 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.68 5.91 0.00 3.19 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 65 G 8.87 4.37 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 0.00 66 I 7.50 3.37 1.67 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.20 0.78 0.00 0.00 67 G 10.37 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 0.00 0.00 0.00 0.00 68 S 7.31 4.59 0.00 3.83 3.66 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 69 P 0.00 4.11 0.00 2.02 2.12 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 70 H 8.28 3.97 0.00 3.12 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.05 3.93 1.24 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 0.00 0.00 0.00 72 Q 7.80 4.55 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.64 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 73 T 8.19 5.10 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 1.15 0.00 0.00 74 I 8.92 4.50 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.31 0.00 0.00 75 K 8.65 5.05 0.00 1.61 1.77 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.18 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.28 7.81 76 V 7.98 4.62 2.26 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 0.93 0.00 0.00 1.15 0.00 0.00 77 D 8.04 4.92 0.00 2.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.79 4.52 0.00 3.19 3.14 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 79 K 7.17 4.19 0.00 1.56 1.89 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 0.81 7.81 80 Q 7.70 3.92 0.00 2.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 81 R 8.28 3.71 0.00 1.64 1.78 0.00 2.94 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.00 82 Y 6.44 4.29 0.00 2.92 2.47 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 0.00 0.00 0.00 0.00 83 Y 9.63 4.46 0.00 3.34 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 84 T 8.00 4.87 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 1.18 0.00 0.00 85 I 8.66 3.95 1.65 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 1.25 0.93 0.40 0.00 0.00 86 E 8.58 4.47 0.00 1.81 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 2.22 2.39 0.00 87 N 8.21 4.05 0.00 2.92 2.90 0.00 0.00 5.79 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.63 4.68 0.00 1.51 1.32 0.53 0.41 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 89 D 7.85 5.04 0.00 2.74 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 90 P 0.00 4.60 0.00 2.18 2.29 0.00 3.64 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 91 S 8.20 3.88 0.00 4.06 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 92 S 8.05 4.78 0.00 4.15 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 93 H 8.96 4.96 0.00 3.16 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.98 4.37 0.00 3.03 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 95 V 8.04 4.01 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 0.86 0.00 0.00 0.84 0.00 0.00 96 I 8.27 5.00 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.97 0.00 0.00 97 T 8.77 5.12 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 0.71 0.00 0.00 98 L 8.40 5.55 0.00 1.65 1.46 0.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.61 5.01 0.00 1.87 1.86 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.54 7.81 100 A 8.78 4.93 1.43 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 0.00 0.00 101 F 8.22 5.47 0.00 3.01 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 0.00 102 N 9.39 5.02 0.00 2.66 2.85 0.00 0.00 6.86 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 0.00 103 N 9.08 4.29 0.00 2.89 3.07 0.00 0.00 5.92 7.75 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 0.00 104 V 7.72 3.68 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 0.70 0.00 0.00 0.97 0.00 0.00 105 G 7.86 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 0.00 106 E 8.42 4.90 0.00 1.97 1.93 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 2.18 2.37 0.00 107 G 8.41 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 0.00 108 I 8.20 4.55 1.92 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 1.52 1.02 0.94 0.00 0.00 109 P 0.00 4.73 0.00 2.13 2.11 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 110 L 8.71 5.00 0.00 1.66 1.68 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.63 4.87 0.00 2.75 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 0.00 112 E 8.72 5.08 0.00 2.00 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 0.00 2.30 2.53 0.00 113 S 8.57 4.91 0.00 3.84 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 0.00 114 A 8.80 4.45 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 0.00 115 V 8.44 4.73 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 0.98 0.00 0.00 0.97 0.00 0.00 116 T 8.32 4.07 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 1.26 0.00 0.00 117 R 8.59 4.18 0.00 1.71 1.91 0.00 3.21 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 118 P 0.00 4.40 0.00 2.20 2.12 0.00 3.40 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 119 H 9.31 4.06 0.00 3.20 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.72 3.61 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 1.23 0.00 0.00 121 S 8.73 3.73 0.00 4.08 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 0.00 122 G 7.81 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 0.00 123 P 0.00 4.50 0.00 2.17 2.32 0.00 3.75 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 1.95 1.88 0.00 124 S 7.26 4.08 0.00 3.90 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 0.00 125 S 8.83 3.78 0.00 4.03 3.92 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 0.00 126 G 7.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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