NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4298 8.3049 120.3487 55.2327 33.7735 174.2843 2 K 4.8690 8.3565 121.8033 53.6715 36.5576 173.4070 3 K 5.1834 10.5450 125.1053 54.8223 36.4178 174.4725 4 I 5.1136 8.8164 126.7927 59.4596 40.4320 174.1163 5 L 5.1608 9.0249 128.4930 53.2729 44.6093 174.5758 6 L 5.0878 9.2867 129.5207 53.9220 43.6893 174.9155 7 L 5.5363 9.3948 126.6395 53.0798 45.0615 175.2503 8 N 5.3565 9.2004 120.2345 51.7636 42.2763 175.0139 9 G 4.2310 8.9714 113.9422 43.7241 0.0000 170.7959 10 P 4.3249 0.0000 0.0000 64.5154 31.4701 176.5481 11 N 4.3837 9.6822 117.0142 53.7511 37.7677 176.2908 12 L 4.1043 7.4736 118.9366 57.0810 41.8039 178.5647 13 N 4.4965 7.9802 114.5598 54.7994 37.7657 175.4082 14 M 4.3102 7.9258 118.6121 55.4714 32.8184 176.0327 15 L 4.1737 7.6728 120.9233 56.1645 42.0611 177.9688 16 G 4.0337 9.0553 110.5984 45.9963 0.0000 173.9231 17 K 4.4385 7.8025 118.3723 56.2884 33.8716 177.1027 18 R 4.0314 7.9017 118.4297 55.5622 29.7932 175.4408 19 E 3.4925 8.2951 121.4890 60.3633 30.0383 175.2912 20 P 4.3078 0.0000 0.0000 62.7188 31.9685 176.5416 21 H 4.4606 8.6531 121.1192 55.9860 29.4373 175.2235 22 I 4.1216 8.4169 122.5277 62.2670 38.6527 176.3412 23 Y 4.4607 8.8856 115.0366 57.6422 40.0037 175.3106 24 G 4.0106 8.0686 104.8033 43.0617 0.0000 173.7095 25 S 3.9683 8.0938 113.9399 60.0164 62.5073 174.3305 26 Q 4.0877 7.9963 121.6836 56.8883 29.3490 176.1266 27 T 4.9891 8.2538 116.8567 58.9812 72.4033 175.4298 28 L 3.7623 8.1235 121.7424 58.3751 41.9326 178.5622 29 S 4.1245 7.8454 113.7786 60.7484 62.1451 175.6952 30 D 4.2620 7.6993 121.0036 57.4476 40.5357 178.8720 31 I 3.5473 7.3642 119.6386 64.2616 36.6683 178.2814 32 E 3.5954 8.0476 119.6473 59.4574 29.1018 179.5666 33 Q 3.9810 8.0326 118.2046 59.0383 28.7772 178.1889 34 H 4.1071 8.3620 119.5055 59.4012 29.8261 177.3587 35 L 3.9124 8.0220 120.8222 57.7124 41.4008 179.2597 36 Q 4.0271 8.2254 119.5620 59.3644 29.0408 178.3703 37 Q 4.0006 8.4382 119.4604 58.9057 28.3196 178.7063 38 S 4.0521 8.1505 113.9564 61.2262 62.4543 176.0655 39 A 4.0890 8.2823 123.7078 55.4220 18.2011 179.5888 40 Q 4.2929 8.6039 117.7747 58.6293 28.5688 179.0590 41 A 4.0778 8.0607 120.6265 54.5976 18.4590 178.6547 42 Q 4.4321 7.5951 113.8803 55.8060 29.1070 176.5070 43 G 3.7132 8.1674 108.4336 45.3021 0.0000 172.7842 44 Y 4.8098 7.9688 116.1351 55.7614 41.8177 174.8143 45 E 4.5752 8.7588 120.6909 55.8589 31.6799 175.6717 46 L 5.5690 8.2176 124.0953 54.3621 45.0549 174.5814 47 D 5.1232 8.9377 125.9742 52.9942 43.9026 174.7976 48 Y 5.5017 7.6289 117.1327 55.9856 41.4614 174.0137 49 F 5.0243 9.1608 121.4295 57.5711 43.4827 172.5663 50 Q 5.4028 7.5404 123.8914 54.1952 32.0018 173.3282 51 A 4.4317 8.2832 125.0799 51.1650 22.2854 175.5489 52 N 4.7895 8.7943 115.3357 52.9840 39.3848 175.8200 53 G 4.5146 7.7052 104.4267 42.1311 0.0000 173.7162 54 E 3.8149 8.6500 121.1766 58.9949 29.4281 179.3152 55 E 3.8619 8.1090 118.8214 59.4788 29.8686 178.8859 56 S 4.1992 8.1025 114.5498 61.6682 63.0111 176.6435 57 L 4.1822 7.9875 121.1770 57.9340 41.3338 179.6444 58 I 3.5885 8.3825 120.1330 64.3792 36.9647 178.2183 59 N 4.1825 8.3550 117.6972 56.3184 38.1110 177.4693 60 R 3.7822 7.4554 118.9376 59.1829 30.4309 178.3880 61 I 3.8345 7.5997 119.7754 64.6609 37.1281 178.0878 62 H 4.2589 8.3613 117.3221 59.0500 28.2974 177.8896 63 Q 4.0633 8.1189 118.6724 58.6907 28.7807 178.2483 64 A 4.3787 7.9131 120.6893 52.4609 18.9398 177.1020 65 F 4.4502 7.7397 120.6875 60.1171 39.6855 175.8211 66 Q 3.5049 8.7284 124.7133 56.2203 26.2157 173.4122 67 N 4.9616 7.7977 111.6204 51.9156 38.8389 174.3896 68 T 4.6919 7.8464 115.7603 62.0683 70.6794 173.6472 69 D 4.9705 8.8264 124.2780 54.8703 42.7241 176.3035 70 F 4.8944 7.9402 119.1319 57.0345 43.1790 172.6317 71 I 5.2186 8.3428 124.8242 59.6325 41.0486 174.3692 72 I 5.1476 8.9683 127.2160 59.7022 39.6072 174.4606 73 I 5.0965 9.0242 127.4028 59.2482 41.6191 173.5329 74 N 5.4553 9.5108 128.7199 50.4235 39.8156 173.0171 75 P 4.5430 0.0000 0.0000 62.6284 33.1614 177.9910 76 G 3.6893 8.5295 108.7358 46.3813 0.0000 176.1170 77 A 4.1952 8.3755 122.1055 54.9468 18.7544 179.4254 78 F 4.9479 7.8090 115.5224 59.6969 38.7839 177.3692 79 T 3.9814 8.0079 113.0001 65.0054 66.8988 175.0267 80 H 5.1024 8.3259 117.8033 56.0508 29.4282 175.8493 81 T 4.7134 7.9550 108.6270 60.8864 70.5569 173.1514 82 S 4.6160 8.4707 117.7433 57.0867 61.5145 174.1253 83 V 3.3080 7.6309 128.1239 65.0295 31.4617 177.1504 84 A 3.8670 7.6866 120.4075 55.1895 18.2139 179.5188 85 I 3.6180 7.7678 118.3276 64.0516 37.1265 178.5402 86 R 3.8260 7.6541 119.7973 59.7713 29.8967 178.4687 87 D 4.3543 8.3674 118.4446 56.9551 40.7457 178.7746 88 A 3.9391 7.7986 121.6561 55.1399 18.0667 179.6721 89 L 3.8867 7.9407 117.6031 57.9080 41.4871 179.8276 90 L 4.2506 8.1362 118.7894 57.5855 41.3232 179.3286 91 A 3.9070 8.0649 120.3226 54.7168 18.3951 179.2381 92 V 3.6619 7.4767 107.7598 60.6304 32.8365 176.0468 93 S 3.7415 7.5303 114.4209 59.9916 60.7588 172.8075 94 I 4.4990 7.1535 119.8172 58.4382 39.5526 174.7293 95 P 4.5383 0.0000 0.0000 63.0751 32.5149 175.1697 96 F 5.6361 7.8315 114.7014 55.1918 41.9555 172.7038 97 I 4.8744 8.6186 119.7701 59.5614 40.3737 174.0462 98 E 5.0522 8.9205 127.9693 55.1209 31.2529 174.8636 99 V 4.8319 8.7830 126.4544 61.4221 35.1536 173.8524 100 H 4.8969 8.8641 123.0908 54.1536 32.6538 174.2793 101 L 3.9920 8.7929 123.4189 57.7678 42.3560 177.9491 102 S 4.7317 8.0359 111.0977 57.0128 64.7731 173.4074 103 N 4.6181 8.3533 119.3757 52.2684 37.7840 175.6876 104 V 3.6363 8.1345 120.4730 64.3776 31.8565 178.3296 105 H 4.3572 7.9633 114.8190 57.3799 28.8354 175.5733 106 A 4.5713 7.8276 121.1477 51.8999 19.4457 177.4936 107 R 4.7798 6.9799 115.8128 55.3389 31.9546 175.8632 108 E 3.9602 8.1852 119.5532 56.6916 30.2839 176.1164 109 P 3.7231 0.0000 0.0000 65.4679 31.3286 178.9255 110 F 4.3337 7.8405 112.5773 59.1892 37.6081 176.5290 111 R 3.7618 6.8488 116.8598 56.8449 30.1289 176.7213 112 H 4.5212 8.0441 116.2968 57.2186 29.5056 174.7269 113 H 4.8276 7.7463 119.5710 54.2723 31.2415 173.4231 114 S 4.9725 7.8431 119.1629 57.0984 65.3244 172.9459 115 Y 4.7487 9.0238 123.4896 58.0265 38.2700 176.1805 116 L 4.8494 8.2792 120.8885 56.0655 44.3823 178.7868 117 S 4.1991 8.4406 114.5357 61.7358 62.8317 176.3360 118 D 4.3789 8.1413 117.7475 55.3925 39.3669 177.0910 119 V 4.1809 7.7052 111.0021 60.8339 32.3143 175.7130 120 A 2.7853 7.1709 123.2239 50.6857 19.2316 177.8510 121 K 3.9907 8.2205 122.8156 59.4362 32.9443 176.9016 122 G 4.0610 7.3637 104.4763 45.4146 0.0000 171.9484 123 V 5.1205 8.0665 118.7217 61.0469 34.9849 174.4969 124 I 4.7290 8.8486 127.5859 59.6035 40.4225 174.1570 125 C 5.0917 8.7438 121.5618 57.6683 32.0829 174.5419 126 G 3.9909 9.2959 111.3461 45.5132 0.0000 173.4269 127 L 4.5689 7.8046 117.7700 53.7282 42.6467 178.5661 128 G 3.8509 8.1414 108.7155 45.9374 0.0000 175.0799 129 A 4.2589 8.5572 119.0408 55.1941 18.3369 179.9967 130 K 4.1156 7.5485 118.0206 58.6026 32.0271 179.2786 131 G 3.6432 7.9854 106.4234 48.0801 0.0000 175.3512 132 Y 4.1517 7.8022 118.4222 60.8903 37.3223 178.1622 133 D 4.3566 7.8501 119.4433 57.6201 40.9470 178.3107 134 Y 4.4504 7.6131 117.0490 60.9904 37.7672 178.2446 135 A 4.0976 8.2263 121.8564 55.0864 18.4414 179.4569 136 L 3.8698 8.2795 119.0424 58.2241 42.2383 178.5914 137 D 4.2831 8.2603 118.0145 57.3470 41.1576 178.1125 138 F 3.8409 8.4456 120.8402 61.0655 39.3607 176.7066 139 A 2.6804 7.9787 120.6348 55.0614 17.9905 179.7201 140 I 3.0843 7.5750 118.3992 64.2363 37.1029 178.8818 141 S 3.9415 7.5904 115.0415 61.2993 62.7958 176.5147 142 E 3.7751 7.6617 122.2310 59.0850 29.1553 179.2538 143 L 4.0501 7.8710 119.1863 57.7098 41.5019 179.5767 144 Q 4.3150 8.0738 119.7112 58.2778 28.5991 178.8027 145 K 3.9448 7.8463 119.1118 59.4004 32.1146 179.4329 146 I 3.7118 7.5905 119.4717 64.6326 37.0093 178.5025 147 Q 4.3117 8.2039 120.2067 58.2954 28.5206 178.7486 148 L 4.1510 8.3748 121.8674 58.1878 41.9671 179.3666 149 G 3.7254 8.0816 104.1974 47.2772 0.0000 174.8864 150 E 4.1271 7.8773 118.5657 57.6466 29.0074 176.9291 151 M 3.1041 8.1819 122.9129 56.9529 31.4667 177.3661 *152 M 4.2815 7.9811 123.4024 55.0975 32.2459 177.6715 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 4.43 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 K 8.36 4.87 0.00 2.10 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.60 7.81 3 K 10.54 5.18 0.00 1.97 1.78 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 4 I 8.82 5.11 1.96 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 1.17 0.75 1.06 0.00 0.00 5 L 9.02 5.16 0.00 1.79 1.58 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.29 5.09 0.00 1.89 1.82 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.39 5.54 0.00 1.65 1.64 0.95 0.63 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 8 N 9.20 5.36 0.00 2.59 2.66 0.00 0.00 6.59 7.21 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 9 G 8.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.32 0.00 1.85 1.63 0.00 3.80 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.44 0.00 11 N 9.68 4.38 0.00 2.86 2.99 0.00 0.00 6.87 6.66 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 12 L 7.47 4.10 0.00 1.75 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.98 4.50 0.00 2.78 3.06 0.00 0.00 6.06 7.66 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 14 M 7.93 4.31 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 15 L 7.67 4.17 0.00 1.75 1.56 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.80 4.44 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.51 7.81 18 R 7.90 4.03 0.00 1.80 1.86 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 19 E 8.30 3.49 0.00 1.92 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 2.30 2.30 0.00 20 P 0.00 4.31 0.00 2.01 1.99 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 21 H 8.65 4.46 0.00 3.16 3.22 0.00 5.67 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 22 I 8.42 4.12 1.70 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 0.53 0.12 0.00 0.00 23 Y 8.89 4.46 0.00 2.93 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 24 G 8.07 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 0.00 0.00 0.00 0.00 25 S 8.09 3.97 0.00 3.77 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 26 Q 8.00 4.09 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 T 8.25 4.99 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 1.22 0.00 0.00 28 L 8.12 3.76 0.00 1.86 1.61 0.76 0.69 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 29 S 7.85 4.12 0.00 3.84 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 30 D 7.70 4.26 0.00 2.88 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 31 I 7.36 3.55 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.24 0.00 0.00 32 E 8.05 3.60 0.00 1.52 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 1.91 2.13 0.00 33 Q 8.03 3.98 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 34 H 8.36 4.11 0.00 3.22 3.45 0.00 5.78 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 35 L 8.02 3.91 0.00 1.86 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.23 4.03 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 37 Q 8.44 4.00 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 38 S 8.15 4.05 0.00 3.83 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 39 A 8.28 4.09 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 40 Q 8.60 4.29 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 41 A 8.06 4.08 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 42 Q 7.60 4.43 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.96 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 43 G 8.17 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 44 Y 7.97 4.81 0.00 3.05 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 45 E 8.76 4.58 0.00 2.03 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 2.31 2.28 0.00 46 L 8.22 5.57 0.00 1.69 1.59 1.05 1.45 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 47 D 8.94 5.12 0.00 2.64 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 48 Y 7.63 5.50 0.00 2.87 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 49 F 9.16 5.02 0.00 3.17 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 50 Q 7.54 5.40 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 51 A 8.28 4.43 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 52 N 8.79 4.79 0.00 2.72 2.81 0.00 0.00 6.63 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 53 G 7.71 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.65 3.81 0.00 1.83 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 1.61 1.47 0.00 55 E 8.11 3.86 0.00 2.01 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 2.38 2.39 0.00 56 S 8.10 4.20 0.00 4.10 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 57 L 7.99 4.18 0.00 1.92 1.80 1.28 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.38 3.59 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.61 0.00 0.00 59 N 8.36 4.18 0.00 2.82 2.78 0.00 0.00 6.68 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.46 3.78 0.00 0.95 1.77 0.00 3.11 0.00 0.00 2.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.50 0.00 61 I 7.60 3.83 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 1.47 1.08 0.87 0.00 0.00 62 H 8.36 4.26 0.00 3.27 3.29 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 63 Q 8.12 4.06 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 64 A 7.91 4.38 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 65 F 7.74 4.45 0.00 3.01 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 66 Q 8.73 3.50 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 67 N 7.80 4.96 0.00 2.81 2.82 0.00 0.00 6.73 7.59 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 68 T 7.85 4.69 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 1.32 0.00 0.00 69 D 8.83 4.97 0.00 2.71 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 70 F 7.94 4.89 0.00 3.11 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 71 I 8.34 5.22 1.93 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 1.30 0.92 0.97 0.00 0.00 72 I 8.97 5.15 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 1.14 0.00 0.00 73 I 9.02 5.10 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.98 1.02 0.00 0.00 74 N 9.51 5.46 0.00 2.82 3.01 0.00 0.00 6.84 8.54 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 75 P 0.00 4.54 0.00 2.47 2.35 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 76 G 8.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.38 4.20 1.29 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 0.00 0.00 0.00 78 F 7.81 4.95 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.98 4.34 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 0.90 0.00 0.00 80 H 8.33 5.10 0.00 3.38 3.48 0.00 5.61 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 81 T 7.96 4.71 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 1.36 0.00 0.00 82 S 8.47 4.62 0.00 3.61 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 83 V 7.63 3.31 1.78 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 0.89 0.00 0.00 -0.11 0.00 0.00 84 A 7.69 3.87 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 85 I 7.77 3.62 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 0.83 0.00 0.00 86 R 7.65 3.83 0.00 1.95 2.12 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 87 D 8.37 4.35 0.00 2.64 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 88 A 7.80 3.94 1.29 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 0.00 0.00 0.00 89 L 7.94 3.89 0.00 1.67 1.50 0.09 0.20 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 90 L 8.14 4.25 0.00 1.69 1.72 0.95 0.74 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 91 A 8.06 3.91 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 92 V 7.48 3.66 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 0.77 0.00 0.00 1.05 0.00 0.00 93 S 7.53 3.74 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 94 I 7.15 4.50 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.92 0.00 0.00 95 P 0.00 4.54 0.00 1.74 2.10 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 96 F 7.83 5.64 0.00 3.13 2.97 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 97 I 8.62 4.87 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.97 0.00 0.00 98 E 8.92 5.05 0.00 2.30 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 2.28 2.33 0.00 99 V 8.78 4.83 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 0.25 0.00 0.00 0.82 0.00 0.00 100 H 8.86 4.90 0.00 3.04 3.20 0.00 5.67 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 0.00 101 L 8.79 3.99 0.00 1.40 1.32 0.42 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.04 4.73 0.00 4.05 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 0.00 103 N 8.35 4.62 0.00 2.80 2.78 0.00 0.00 6.87 7.71 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 0.00 104 V 8.13 3.64 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 0.69 0.00 0.00 0.64 0.00 0.00 105 H 7.96 4.36 0.00 3.11 3.23 0.00 5.69 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 0.00 106 A 7.83 4.57 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 0.00 107 R 6.98 4.78 0.00 1.67 1.67 0.00 3.16 0.00 0.00 3.17 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 108 E 8.19 3.96 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 109 P 0.00 3.72 0.00 2.10 2.01 0.00 3.51 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 110 F 7.84 4.33 0.00 3.18 3.29 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 0.00 111 R 6.85 3.76 0.00 1.62 1.81 0.00 2.89 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 112 H 8.04 4.52 0.00 3.22 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.75 4.83 0.00 3.27 3.10 0.00 5.53 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.84 4.97 0.00 3.82 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 0.00 115 Y 9.02 4.75 0.00 3.07 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 0.00 116 L 8.28 4.85 0.00 1.84 1.95 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.44 4.20 0.00 3.89 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 0.00 118 D 8.14 4.38 0.00 2.79 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 V 7.71 4.18 2.21 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 0.76 0.00 0.00 1.24 0.00 0.00 120 A 7.17 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.22 3.99 0.00 1.64 1.94 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.55 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.84 1.45 7.81 122 G 7.36 4.06 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 0.00 123 V 8.07 5.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.91 0.00 0.00 124 I 8.85 4.73 1.85 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 1.28 0.56 0.98 0.00 0.00 125 C 8.74 5.09 0.00 2.90 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 0.00 126 G 9.30 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 0.00 0.00 0.00 127 L 7.80 4.57 0.00 1.73 1.82 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.14 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 0.00 129 A 8.56 4.26 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 0.00 130 K 7.55 4.12 0.00 1.83 1.33 0.00 1.98 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.33 7.81 131 G 7.99 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 0.00 0.00 0.00 132 Y 7.80 4.15 0.00 3.14 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 D 7.85 4.36 0.00 2.45 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 0.00 134 Y 7.61 4.45 0.00 3.15 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 0.00 135 A 8.23 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.28 3.87 0.00 1.81 1.88 0.91 1.22 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 0.00 137 D 8.26 4.28 0.00 2.92 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 0.00 138 F 8.45 3.84 0.00 3.18 3.10 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 0.00 139 A 7.98 2.68 0.81 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 0.00 140 I 7.58 3.08 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 0.61 0.00 0.00 141 S 7.59 3.94 0.00 3.84 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 0.00 142 E 7.66 3.78 0.00 1.87 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 1.58 2.44 0.00 143 L 7.87 4.05 0.00 1.47 1.67 0.75 1.12 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 0.00 144 Q 8.07 4.31 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 145 K 7.85 3.94 0.00 1.95 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.64 7.81 146 I 7.59 3.71 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.14 0.98 0.00 0.00 147 Q 8.20 4.31 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 148 L 8.37 4.15 0.00 1.84 1.87 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.08 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 0.00 0.00 0.00 150 E 7.88 4.13 0.00 2.29 2.00 0.00 0.00 0.00 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 2.57 0.00 151 M 8.18 3.10 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 *152 M 7.98 4.28 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.