NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2532 0.0000 0.0000 62.3886 32.0885 175.5670 3 R 3.9897 8.4397 125.0969 54.1177 30.0206 174.6248 4 A 4.3182 9.1222 131.3181 50.6417 18.5392 176.4299 5 K 4.2551 8.1717 120.3973 57.2101 32.9405 178.1446 6 T 3.9494 8.5658 117.7210 64.7644 69.7531 178.2724 7 G 3.8500 8.4495 107.5338 46.0181 0.0000 173.1463 8 V 3.8673 8.4240 117.0514 64.7919 33.9701 180.5429 9 V 2.5341 6.4794 114.5568 62.1271 34.9073 176.4260 10 R 3.7822 7.9396 118.6769 59.9582 30.2300 178.1521 11 R 3.8598 8.0034 117.2888 59.7238 30.2371 178.3237 12 R 3.8940 8.0966 116.9444 59.4958 28.9209 178.9538 13 K 3.8925 8.2523 118.3390 59.7554 32.0040 178.5528 14 H 4.6495 8.2671 116.1529 57.9101 29.1556 177.3093 15 K 3.8578 8.1941 120.9503 60.6262 32.1096 178.4439 16 K 3.8342 8.0886 119.1492 59.6480 31.7713 179.0072 17 I 3.7377 7.2916 120.0933 64.7070 37.3329 178.2240 18 L 4.0503 8.5032 120.1300 57.6899 41.3926 179.3905 19 K 3.9777 8.4614 118.2612 59.8409 31.9033 178.7294 20 L 3.8589 7.4496 117.6287 57.4218 41.6038 178.9936 21 A 3.9385 8.4749 120.2979 50.7666 20.5952 176.7208 22 K 4.0713 7.3399 121.2731 58.7012 32.9104 178.3028 23 G 3.8851 8.7085 110.8881 45.4491 0.0000 172.9983 24 Y 4.8932 6.8052 116.9066 56.9732 39.3554 175.1445 25 W 4.2887 9.0818 133.0429 58.4643 31.2728 178.3534 26 G 4.0199 8.5183 103.4584 44.9934 0.0000 177.6746 27 L 3.5083 8.9390 128.3524 56.9954 41.7341 178.8677 28 R 4.2576 8.3068 117.7876 58.6925 30.0582 177.2318 29 S 5.0266 9.0073 112.8364 57.7107 63.2998 174.7939 30 K 4.4904 8.8028 117.8722 56.6629 35.4546 176.1608 31 S 4.5625 7.9998 117.0367 56.7111 63.4738 175.1253 *32 F 4.0583 8.6610 127.2683 58.8489 38.2096 172.6812 33 R 4.5295 7.6493 112.1135 57.0731 31.6005 177.6081 34 K 3.9219 9.1613 118.4075 59.3358 32.1292 178.6005 35 A 4.8159 8.7216 122.7341 55.2009 18.3953 179.2902 36 R 3.2437 7.8352 113.9852 59.3922 29.8569 177.9319 37 E 3.5303 8.1824 117.5447 59.9642 29.6650 179.9396 38 T 3.7487 7.8479 115.4005 66.5804 68.3835 176.6181 39 L 4.0701 7.9349 119.6635 57.8206 41.8428 179.6467 40 F 4.6622 7.8001 117.5359 60.5090 38.8974 177.2220 41 A 3.5819 7.6064 118.8012 55.3133 18.2951 179.2898 42 A 4.1079 8.2587 119.5000 56.2643 18.3740 178.8817 43 G 3.7084 8.6696 104.2831 47.7958 0.0000 175.1920 44 N 4.4452 8.1665 116.2516 55.9991 39.1265 176.4853 45 Y 4.4530 8.2042 117.7970 61.7395 37.9999 178.6113 46 A 4.0151 8.2032 120.5899 55.4729 18.6794 178.5988 47 Y 4.1531 8.1669 116.6755 61.1837 38.7632 178.7940 48 A 4.0028 9.7107 121.3179 55.4028 18.3447 179.4220 49 H 4.2058 8.4242 114.9217 59.1264 29.0413 178.0271 50 R 3.5635 8.4914 120.2065 59.3748 29.4742 179.2133 51 K 4.0523 7.5551 116.9319 59.1109 31.9176 179.6375 52 R 3.6869 7.6988 118.5886 59.2594 30.1205 178.7717 53 R 3.7798 8.5337 119.3813 60.0841 29.9425 177.6478 54 K 3.9145 7.7612 116.6212 60.1227 32.2696 178.5270 55 R 4.1973 7.7663 114.4247 57.4098 29.4680 178.1176 56 D 4.1135 8.0221 120.4842 57.8028 41.3005 178.1165 57 F 3.2041 7.8296 118.0998 60.0042 38.5848 177.2153 58 R 4.0021 7.3419 117.4099 60.0483 29.8891 178.7339 59 R 3.7746 7.6894 115.6198 59.6296 30.1253 179.1984 60 L 3.7409 7.3434 117.3119 57.4089 41.6708 179.5386 61 W 4.6841 8.1114 118.6571 59.6440 29.4641 178.6961 62 I 3.6502 7.5430 119.4317 64.5152 36.0521 177.7521 63 V 3.5129 7.4919 118.3563 66.8347 30.9945 177.6373 64 R 3.9006 8.1012 116.1448 59.9650 30.2449 178.6623 65 I 3.5122 7.8164 117.2342 65.6018 37.3159 177.1200 66 N 4.5100 9.5117 117.1728 57.3654 38.6410 176.8690 67 A 4.2888 9.3227 118.2592 52.8130 18.4314 176.9663 68 A 4.5344 8.5967 123.0562 54.9924 21.0918 178.6018 69 C 4.7762 9.0557 109.1208 58.5996 30.0207 175.1864 70 R 4.5866 7.8768 121.3538 57.9589 30.1082 177.9560 71 Q 4.1383 7.8571 118.1529 58.5577 29.1339 175.8389 72 H 4.8762 7.7632 113.9507 55.6168 29.4451 174.7608 73 G 4.0519 7.7437 104.7355 45.6381 0.0000 174.2245 74 L 4.5877 7.2082 115.8194 53.1179 43.5813 174.5306 75 N 4.7374 8.6097 118.1506 53.1068 40.5678 175.8690 76 Y 3.9538 8.9061 125.1339 61.3266 38.9781 178.3106 77 S 4.2649 8.5372 114.6355 61.7711 62.8937 176.1122 78 T 3.9054 8.0874 118.8812 66.9192 68.2438 175.5501 79 F 3.7076 8.9652 119.7700 61.8530 39.1443 177.0543 80 I 3.6007 8.3045 118.5659 65.1159 37.2668 177.4183 81 H 4.4007 8.3268 118.0141 59.7432 29.5077 177.3321 82 G 3.7613 8.4166 105.8552 46.9648 0.0000 174.7257 83 L 4.4059 9.0355 121.2194 56.7417 42.1999 178.2766 84 K 4.0241 8.0320 119.0488 59.7120 31.8196 177.6915 85 K 4.2824 7.7924 115.2818 57.1887 32.1094 177.0228 86 A 4.6192 7.1175 118.2418 53.7884 20.4812 177.1046 87 G 4.0217 8.4202 107.9397 45.2609 0.0000 174.4116 88 I 4.7741 7.8880 123.9312 61.3913 37.7270 175.1409 89 E 4.3266 8.1606 118.6155 57.4922 29.5662 177.8180 90 V 4.4075 8.5702 121.4588 62.6899 33.3588 174.7009 91 D 4.4832 9.1016 119.8172 54.8080 41.1143 173.3659 92 R 3.5328 7.6572 118.3249 57.3770 28.1403 177.0038 93 K 4.5249 8.0377 124.4360 59.3425 32.9406 177.6900 94 N 3.1400 7.4458 117.4688 55.6811 38.5651 176.5096 95 L 4.0288 7.8816 116.9366 55.7534 41.8039 177.4694 96 A 4.3815 7.2786 122.8097 51.5583 18.7585 177.9621 97 D 4.4839 7.5857 120.9242 55.7831 41.6555 176.6469 98 L 4.4254 7.7080 120.1455 57.8810 41.4278 178.6578 99 A 3.3899 7.5874 119.4097 54.9877 17.9825 177.6296 100 V 3.8594 7.3106 114.5564 63.2746 32.9537 175.9193 101 R 3.9170 7.5912 115.1088 57.6330 31.5844 176.0530 102 E 3.8436 8.8595 117.1875 56.6267 27.9612 173.5962 103 P 4.7303 0.0000 0.0000 65.4730 31.9329 178.5009 104 Q 4.0427 8.0751 118.3170 58.8064 28.6620 178.1205 105 V 3.6538 7.7128 119.3771 65.8200 31.4223 177.9572 106 F 4.3818 8.2926 119.6438 61.6025 39.4654 176.3950 107 A 3.8584 8.2610 120.2674 55.6747 18.0572 179.0864 108 E 3.8459 8.1118 115.5991 59.6534 29.2431 179.9041 109 L 3.8974 7.2942 117.9998 57.9984 41.7347 179.2560 110 V 2.7561 7.2818 117.9935 66.1292 31.3545 177.5808 111 E 3.8275 8.1860 117.8014 59.5810 29.1467 179.6388 112 R 3.8107 8.1747 117.9646 59.9876 30.4789 177.5511 113 A 3.7747 9.0317 121.3864 53.8031 17.9413 179.0606 114 K 3.7196 8.1173 116.2778 59.8353 32.8329 178.4168 115 A 3.8494 7.7924 120.6171 55.4752 18.0129 179.1818 116 A 3.9988 7.8089 118.6509 53.9851 19.2889 177.7983 117 Q 4.6034 8.0185 116.4857 55.0210 29.2589 176.0136 118 G 3.7257 7.8686 110.9473 45.8143 0.0000 173.5326 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 2 P 0.00 4.25 0.00 2.06 2.09 0.00 3.63 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 1.92 2.08 0.00 3 R 8.44 3.99 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 4 A 9.12 4.32 1.26 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 5 K 8.17 4.26 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 6 T 8.57 3.95 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 1.21 0.00 0.00 7 G 8.45 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 8 V 8.42 3.87 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 0.98 0.00 0.00 0.93 0.00 0.00 9 V 6.48 2.53 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 0.97 0.00 0.00 0.99 0.00 0.00 10 R 7.94 3.78 0.00 1.90 1.91 0.00 3.30 0.00 0.00 3.30 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 11 R 8.00 3.86 0.00 1.96 2.04 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 12 R 8.10 3.89 0.00 2.10 1.97 0.00 3.22 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 8.25 3.89 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.64 7.81 14 H 8.27 4.65 0.00 3.35 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.19 3.86 0.00 1.96 2.11 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.51 7.81 16 K 8.09 3.83 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.72 7.81 17 I 7.29 3.74 2.01 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 1.67 0.76 0.90 0.00 0.00 18 L 8.50 4.05 0.00 1.81 1.66 0.90 0.88 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 19 K 8.46 3.98 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.72 7.81 20 L 7.45 3.86 0.00 1.77 1.78 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.47 3.94 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 0.00 0.00 0.00 22 K 7.34 4.07 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.46 7.81 23 G 8.71 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 6.81 4.89 0.00 2.91 2.93 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 0.00 0.00 0.00 25 W 9.08 4.29 0.00 3.41 2.93 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 0.00 0.00 0.00 26 G 8.52 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 27 L 8.94 3.51 0.00 1.75 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.31 4.26 0.00 2.10 2.07 0.00 3.22 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 29 S 9.01 5.03 0.00 3.93 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 30 K 8.80 4.49 0.00 1.63 1.78 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.46 7.81 31 S 8.00 4.56 0.00 3.80 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 *32 F 8.66 4.06 0.00 2.33 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 0.00 0.00 0.00 33 R 7.65 4.53 0.00 1.89 2.12 0.00 2.94 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 34 K 9.16 3.92 0.00 1.74 1.93 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 35 A 8.72 4.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.84 3.24 0.00 1.74 1.72 0.00 3.19 0.00 0.00 3.35 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.62 0.00 37 E 8.18 3.53 0.00 2.10 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 2.30 2.53 0.00 38 T 7.85 3.75 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 0.60 0.00 0.00 39 L 7.93 4.07 0.00 1.68 1.85 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.80 4.66 0.00 3.31 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.61 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.26 4.11 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.67 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 N 8.17 4.45 0.00 2.74 3.01 0.00 0.00 6.82 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 45 Y 8.20 4.45 0.00 3.18 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 46 A 8.20 4.02 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 47 Y 8.17 4.15 0.00 3.10 3.19 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 48 A 9.71 4.00 1.51 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 49 H 8.42 4.21 0.00 3.46 3.33 0.00 5.84 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 50 R 8.49 3.56 0.00 1.77 1.97 0.00 3.16 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 51 K 7.56 4.05 0.00 1.95 1.73 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.19 7.81 52 R 7.70 3.69 0.00 1.87 1.85 0.00 3.21 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 53 R 8.53 3.78 0.00 1.85 2.00 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 54 K 7.76 3.91 0.00 2.07 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.75 7.81 55 R 7.77 4.20 0.00 2.10 2.15 0.00 2.73 0.00 0.00 3.06 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 56 D 8.02 4.11 0.00 2.56 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 57 F 7.83 3.20 0.00 2.33 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 58 R 7.34 4.00 0.00 1.92 2.02 0.00 3.14 0.00 0.00 3.21 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 59 R 7.69 3.77 0.00 1.91 1.84 0.00 3.04 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 60 L 7.34 3.74 0.00 1.11 1.46 -0.23 0.89 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 61 W 8.11 4.68 0.00 3.67 3.24 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 62 I 7.54 3.65 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.03 0.41 0.00 0.00 63 V 7.49 3.51 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 1.00 0.00 0.00 0.94 0.00 0.00 64 R 8.10 3.90 0.00 2.06 1.96 0.00 3.45 0.00 0.00 3.24 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 65 I 7.82 3.51 2.29 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.84 0.00 0.00 66 N 9.51 4.51 0.00 2.87 2.99 0.00 0.00 7.25 8.10 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 67 A 9.32 4.29 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 68 A 8.60 4.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.06 4.78 0.00 3.32 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 70 R 7.88 4.59 0.00 2.19 2.03 0.00 3.27 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 71 Q 7.86 4.14 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.22 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 72 H 7.76 4.88 0.00 3.23 3.21 0.00 5.88 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 73 G 7.74 4.05 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 74 L 7.21 4.59 0.00 1.85 1.72 1.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.61 4.74 0.00 2.91 2.94 0.00 0.00 6.59 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 76 Y 8.91 3.95 0.00 3.27 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 77 S 8.54 4.26 0.00 4.17 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 0.00 78 T 8.09 3.91 4.42 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 1.23 0.00 0.00 79 F 8.97 3.71 0.00 3.04 2.89 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 0.00 0.00 0.00 80 I 8.30 3.60 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.07 0.83 0.00 0.00 81 H 8.33 4.40 0.00 3.27 3.55 0.00 5.80 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 82 G 8.42 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.04 4.41 0.00 2.02 1.74 1.29 0.91 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 84 K 8.03 4.02 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 85 K 7.79 4.28 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 86 A 7.12 4.62 1.37 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 87 G 8.42 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 88 I 7.89 4.77 1.89 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 1.45 0.52 0.93 0.00 0.00 89 E 8.16 4.33 0.00 1.96 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 2.31 2.36 0.00 90 V 8.57 4.41 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 0.74 0.00 0.00 0.90 0.00 0.00 91 D 9.10 4.48 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 3.53 0.00 1.88 1.74 0.00 3.15 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 93 K 8.04 4.52 0.00 1.96 2.09 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.73 7.81 94 N 7.45 3.14 0.00 1.44 2.02 0.00 0.00 7.24 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 95 L 7.88 4.03 0.00 1.70 1.59 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.28 4.38 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 97 D 7.59 4.48 0.00 2.76 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 98 L 7.71 4.43 0.00 1.78 1.74 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.59 3.39 0.48 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 0.00 0.00 100 V 7.31 3.86 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 0.89 0.00 0.00 0.88 0.00 0.00 101 R 7.59 3.92 0.00 1.90 1.84 0.00 3.31 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 1.72 1.61 0.00 102 E 8.86 3.84 0.00 2.22 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 0.00 2.29 2.23 0.00 103 P 0.00 4.73 0.00 2.39 2.52 0.00 3.89 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 104 Q 8.08 4.04 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 105 V 7.71 3.65 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 106 F 8.29 4.38 0.00 3.11 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 0.00 107 A 8.26 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.85 0.00 2.00 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 2.32 2.56 0.00 109 L 7.29 3.90 0.00 1.93 1.74 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.28 2.76 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 0.77 0.00 0.00 0.07 0.00 0.00 111 E 8.19 3.83 0.00 2.07 1.92 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 2.39 2.41 0.00 112 R 8.17 3.81 0.00 1.79 1.89 0.00 3.39 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 113 A 9.03 3.77 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 0.00 114 K 8.12 3.72 0.00 1.90 2.04 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.56 7.81 115 A 7.79 3.85 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 0.00 116 A 7.81 4.00 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 0.00 117 Q 8.02 4.60 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 118 G 7.87 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 * Residues marked with a * may have inaccurate shift predictions.