NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.7086 8.1233 122.5050 51.6253 21.6828 175.3602 12 S 5.2368 8.3176 114.1912 57.5588 65.1917 171.6411 13 L 5.0806 9.2197 123.4518 53.0625 46.4543 174.6186 14 Y 4.8794 9.0131 123.5974 56.0589 40.7911 174.8271 15 V 4.2383 8.3962 128.6296 60.2270 33.4955 175.3538 16 G 3.9911 8.9954 113.7396 43.6350 0.0000 171.3922 17 D 4.5943 8.4053 115.8432 55.2460 38.1116 174.4106 18 L 4.3816 7.7976 117.4254 54.0078 43.1998 176.9960 19 H 4.3406 8.6001 121.7967 55.1441 30.3552 174.4612 20 P 4.3079 0.0000 0.0000 64.8669 31.0209 176.0251 21 D 4.8281 8.0279 116.5803 53.9063 42.5328 176.3219 22 V 3.5616 8.3083 120.7833 63.3703 31.8578 176.2260 23 T 4.4822 8.2082 117.7183 60.4642 71.9702 175.4507 24 E 3.9843 8.5616 120.2123 59.2104 29.3702 179.4786 25 A 4.0093 7.9460 120.5169 55.5678 18.5597 179.3685 26 M 4.6986 7.7687 118.1365 58.2063 32.0048 179.1123 27 L 4.2331 8.0650 119.0454 57.7270 41.7463 178.9803 28 Y 4.0631 8.0677 119.8686 60.5705 38.8728 177.6055 29 E 3.8122 8.2983 119.5885 59.2105 29.3766 179.1923 30 K 3.6759 7.8300 118.0518 59.6489 32.5435 178.4527 31 F 4.3756 8.3198 117.4064 59.5361 38.9763 177.6918 32 S 3.7657 8.1362 113.5315 61.1900 61.6342 174.5904 33 P 4.2197 0.0000 0.0000 65.1544 31.1194 177.6446 34 A 4.2952 8.1207 118.3948 53.1022 18.7581 176.5039 35 G 3.9919 7.9782 103.3744 42.3302 0.0000 171.4792 36 P 4.3228 0.0000 0.0000 63.1318 31.5014 174.8714 37 I 4.3187 8.1241 123.5034 59.6757 38.2583 175.5456 38 L 4.2668 9.0858 130.0020 57.3529 42.6091 176.8070 39 S 4.7183 7.2122 110.9124 58.1257 65.4154 175.8212 40 I 5.0709 8.2922 120.4551 59.7223 40.9976 174.9854 41 R 4.6945 9.1028 125.8629 54.8826 33.6389 173.5100 42 V 4.3766 8.1824 126.7129 61.4271 33.1740 174.7800 43 C 4.3675 8.3103 126.1221 59.3027 29.1213 173.0714 44 R 5.0781 8.2995 121.6119 53.8024 33.8126 174.8912 45 D 4.1232 9.4600 121.2497 54.7692 41.8723 176.1904 46 M 3.5321 8.6825 121.7196 58.2665 33.2585 176.9857 47 I 4.1801 7.5924 113.9872 62.6127 39.2558 177.3085 48 T 3.9747 7.8149 110.0828 62.1648 68.9913 175.6606 49 R 4.0095 7.9705 119.1906 56.4128 28.4309 176.0987 50 R 4.0500 7.5012 119.5954 56.3644 31.1671 175.8710 51 S 4.4814 8.6091 120.6310 58.2321 63.4252 173.2091 52 L 4.4479 9.4733 127.5927 54.5738 42.5750 178.3514 53 G 4.0597 8.5484 105.9730 46.1595 0.0000 172.9368 54 Y 5.1382 7.4354 115.4825 55.8313 42.0986 173.3947 55 A 4.6004 8.2948 119.7040 50.9270 23.2592 174.6577 56 Y 5.5907 8.7419 117.1164 55.6256 41.0066 175.4617 57 V 4.5380 8.2511 121.7260 61.3053 35.0077 173.5589 58 N 5.4712 9.5313 126.5077 51.6843 40.6879 174.5905 59 F 4.7017 9.0891 123.0643 56.7748 40.0286 176.3694 60 Q 4.2973 9.0256 119.6813 57.7825 29.5942 176.6127 61 Q 4.7067 8.1153 118.6210 52.8551 31.4192 174.5561 62 P 4.4305 0.0000 0.0000 65.8929 31.2134 178.2721 63 A 4.0169 8.1378 120.0967 55.3246 18.1132 179.1790 64 D 4.1383 7.9020 116.4340 57.0486 40.9645 178.4212 65 A 2.8018 7.5402 121.2725 55.0033 18.3133 179.3870 66 E 3.5530 8.3136 117.6694 59.0811 29.4913 178.9038 67 R 3.7729 7.3315 117.5457 59.4425 30.4363 178.2115 68 A 4.0538 7.9323 120.5854 54.5617 18.0570 179.5025 69 L 3.6607 7.0634 118.7135 57.6108 42.5575 178.3944 70 D 4.7811 7.5207 116.5145 53.8687 42.1638 176.3506 71 T 4.4101 7.2388 112.5116 64.2756 74.4595 174.1357 72 M 5.3658 7.7017 117.3562 53.0160 34.3503 175.2487 73 N 4.0199 7.6806 117.9080 54.4049 39.5194 176.3029 74 F 4.3569 8.1303 120.9445 58.8001 38.7079 176.0135 75 D 4.4569 8.1362 121.0834 52.5439 39.7649 176.3576 76 V 3.8854 8.1112 122.2541 63.7960 32.3853 175.2130 77 I 4.1956 8.8349 121.3805 61.8401 41.5582 175.4849 78 K 4.0631 9.8822 125.8224 57.3462 29.7556 174.2555 79 G 4.2771 8.5176 107.9880 45.0047 0.0000 174.1904 80 K 4.6953 7.6449 118.3532 53.9606 34.2502 174.5672 81 P 4.8685 0.0000 0.0000 62.5957 32.4401 176.4714 82 V 4.0824 8.2396 116.1363 61.2422 33.3382 175.4210 83 R 4.8443 9.1878 124.6762 54.9577 31.5524 174.6022 84 I 5.3520 8.9741 127.7832 59.7959 39.0351 175.5591 85 M 4.2980 8.4143 118.0903 53.9558 33.6165 173.9356 86 W 4.7588 8.9642 121.4508 56.9765 30.2529 175.7518 87 S 4.4620 8.8858 118.0490 58.7923 62.6841 174.2835 88 Q 4.4260 8.4715 126.0505 55.8826 29.3720 173.6877 89 R 4.0456 8.4999 124.6261 57.8033 30.6265 176.6733 90 D 4.5115 7.9310 117.6354 52.8548 40.7304 174.5025 91 P 4.4398 0.0000 0.0000 63.8368 31.3623 177.7934 92 S 3.9978 7.9135 115.1985 62.2821 62.4728 176.3307 93 L 4.0368 7.6646 125.1132 56.7546 42.2526 178.9078 94 R 4.0203 7.8444 117.4936 59.1641 29.8842 178.8340 95 K 4.1459 8.6053 118.7644 58.4977 32.4234 177.9068 96 S 4.6837 8.4661 113.9140 58.9247 63.8453 176.4009 97 G 3.5729 8.0183 110.9271 47.4787 0.0000 178.8892 98 V 3.5731 8.5079 117.0445 64.1313 31.8891 178.2561 99 G 4.1558 7.9126 105.3934 44.6951 0.0000 172.1177 100 N 5.0167 7.5607 119.7926 52.9563 39.5732 174.1734 101 I 4.9460 8.6200 118.5463 59.0511 42.0203 173.7683 102 F 5.0330 9.2272 124.2358 56.5659 42.3566 173.3032 103 I 4.6787 7.8810 126.9175 59.3285 39.3745 174.5767 104 K 4.3692 8.5546 127.8353 55.2984 35.3606 173.1372 105 N 4.3554 8.7747 124.9464 53.9762 36.4952 172.9962 106 L 4.6427 8.5185 124.5513 52.9144 44.3306 178.3161 107 D 4.3813 8.6884 121.3635 55.0591 39.7248 180.7249 108 K 4.4030 8.0812 115.5083 55.7146 30.9711 182.0403 109 S 4.6450 7.9817 109.8303 58.7337 63.4860 173.8145 110 I 4.2093 7.5840 122.9492 60.2753 38.1003 175.4258 111 D 4.8306 8.1368 125.8765 51.4933 43.0785 176.5042 112 N 3.9549 8.3050 115.5843 56.7370 38.5144 177.4061 113 K 3.6800 7.8322 118.6942 59.3521 32.0274 179.1543 114 A 4.2011 7.7297 122.1926 54.5121 18.4578 179.1154 115 L 4.0127 7.8057 118.8574 58.7924 42.0390 178.5616 116 Y 4.0879 8.3737 119.5584 60.7605 38.3838 177.8497 117 D 4.4322 8.1302 119.3709 57.8857 40.8530 178.8075 118 T 3.8353 8.4408 112.2772 64.2613 67.5015 175.0274 119 F 5.1234 8.4855 118.0394 57.4985 39.8818 177.2011 120 S 4.2106 8.2317 114.0992 60.0496 62.4550 175.9945 121 A 3.7244 7.7564 124.2830 55.1145 18.2919 179.0769 122 F 4.3004 8.1017 115.1935 59.6891 39.3824 175.7972 123 G 4.0181 7.0745 103.3820 46.0146 0.0000 170.6135 124 N 4.7425 8.3393 117.9691 52.5887 39.1451 173.8567 125 I 4.4452 8.1992 117.4506 59.7897 38.7164 175.8618 126 L 4.2776 9.2536 127.6284 57.6266 42.1177 177.4379 127 S 4.8534 7.7128 111.8650 57.2128 65.8434 172.5089 128 C 5.3169 8.7190 120.1382 56.7842 32.7177 173.0238 129 K 4.8372 9.1254 121.7444 55.2492 35.9944 174.8436 130 V 4.4716 8.6313 127.5824 60.9042 32.0265 175.5960 131 V 3.7366 7.4293 127.9930 62.8071 31.4735 175.7043 132 C 4.5394 8.2080 118.6633 58.6836 32.4017 174.1648 *137 S 4.1726 8.6940 118.5419 57.2575 63.4713 175.9585 138 K 3.6637 9.3769 118.1635 56.6863 30.7058 179.4234 139 G 4.2913 9.8798 106.5519 45.4411 0.0000 172.6339 140 Y 5.0851 7.2553 116.2712 55.1775 42.1095 174.2638 141 G 3.6632 7.6013 105.1030 46.0308 0.0000 172.0911 142 F 5.5633 9.3804 118.0934 55.9380 44.2898 175.2580 143 V 4.4752 8.2457 120.0885 61.1850 34.1749 172.9989 144 H 4.8722 9.3107 127.8876 55.0340 30.7574 174.1009 145 F 5.0636 9.0931 125.5369 56.3134 40.3738 176.9366 146 E 4.0938 9.4552 123.5494 58.7193 30.2485 177.1980 147 T 4.7697 8.1038 115.4796 61.5766 71.3849 174.8022 148 Q 4.1734 8.5158 122.8295 58.6655 29.2836 177.7912 149 E 3.6360 8.2548 120.6644 59.1428 29.4514 178.5900 150 A 3.8815 7.8434 120.0185 54.6658 18.6832 179.2043 151 A 3.3458 7.4082 118.8028 55.3391 18.2910 179.7859 152 E 3.8765 8.4968 116.4104 59.4243 29.4258 179.2803 153 R 3.9962 7.6870 117.8049 58.5679 30.2195 178.4710 154 A 2.0000 7.4533 121.1339 55.5240 18.4677 178.2138 155 I 4.0511 7.3094 116.4064 62.4384 39.5958 173.6638 156 E 3.8564 8.8635 123.9370 59.1241 29.1158 177.3548 157 K 4.2310 7.5061 116.5619 56.6405 32.4128 179.9176 158 M 4.3172 7.5285 115.6184 56.0464 33.3764 175.0766 159 N 4.3564 7.9204 116.7326 56.8275 38.5226 174.5109 160 G 4.0836 8.8875 115.2045 45.1945 0.0000 172.3722 161 M 4.3564 7.7720 117.1155 53.5625 32.7520 175.8634 162 L 4.4135 8.3443 120.6884 55.0978 41.3710 177.3377 163 L 4.4258 8.6562 126.5533 53.0486 41.3075 175.4913 164 N 3.9976 8.3788 124.6922 54.4651 34.4692 175.9680 165 D 4.6111 8.0299 112.2748 53.4918 38.7979 175.5110 166 R 4.5978 7.6738 120.6444 55.7088 32.6096 175.6013 167 K 4.6891 8.6272 126.1133 54.7013 32.4288 174.1835 168 V 4.6292 8.0400 119.3384 59.1311 33.6693 175.4993 169 F 5.1818 9.0488 127.6837 57.6564 41.0857 174.7132 170 V 4.3888 7.7819 124.7309 61.4283 34.1899 174.2330 171 G 4.0394 8.1953 114.5233 44.6751 0.0000 171.0815 172 R 4.6221 8.5488 120.3276 55.8241 30.5077 176.2702 173 F 4.5139 8.4878 121.5661 59.3156 39.6854 171.3839 174 K 3.5028 7.6312 131.8172 55.7538 30.5505 176.2604 175 S 3.9254 8.1055 118.5839 58.4785 62.8937 174.4234 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 11 A 8.12 4.71 1.55 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 0.00 0.00 12 S 8.32 5.24 0.00 4.05 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 13 L 9.22 5.08 0.00 1.42 1.37 0.72 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.01 4.88 0.00 3.04 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 15 V 8.40 4.24 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.97 0.00 0.00 16 G 9.00 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 17 D 8.41 4.59 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.80 4.38 0.00 1.74 1.58 0.90 0.80 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 19 H 8.60 4.34 0.00 3.17 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.31 0.00 2.18 2.15 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 21 D 8.03 4.83 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.31 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 23 T 8.21 4.48 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 1.29 0.00 0.00 24 E 8.56 3.98 0.00 2.01 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 0.00 2.36 2.35 0.00 25 A 7.95 4.01 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 26 M 7.77 4.70 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 27 L 8.07 4.23 0.00 1.92 1.83 0.88 1.03 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 28 Y 8.07 4.06 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.30 3.81 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.77 0.00 30 K 7.83 3.68 0.00 1.66 1.85 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.94 0.41 7.81 31 F 8.32 4.38 0.00 3.13 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 32 S 8.14 3.77 0.00 2.72 3.32 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 P 0.00 4.22 0.00 1.99 2.06 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 34 A 8.12 4.30 1.50 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 0.00 0.00 35 G 7.98 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 36 P 0.00 4.32 0.00 2.56 2.27 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 37 I 8.12 4.32 1.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.37 0.88 0.00 0.00 38 L 9.09 4.27 0.00 1.62 1.85 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.21 4.72 0.00 3.86 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 40 I 8.29 5.07 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.92 0.00 0.00 41 R 9.10 4.69 0.00 1.82 1.78 0.00 3.15 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 42 V 8.18 4.38 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 0.72 0.00 0.00 0.86 0.00 0.00 43 C 8.31 4.37 0.00 2.09 2.61 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 0.00 0.00 0.00 0.00 44 R 8.30 5.08 0.00 1.62 1.83 0.00 3.39 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 45 D 9.46 4.12 0.00 2.79 2.61 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 0.00 0.00 0.00 0.00 46 M 8.68 3.53 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 47 I 7.59 4.18 1.87 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 1.48 1.04 0.92 0.00 0.00 48 T 7.81 3.97 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 49 R 7.97 4.01 0.00 2.03 2.10 0.00 3.33 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 50 R 7.50 4.05 0.00 1.85 1.81 0.00 3.11 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 51 S 8.61 4.48 0.00 3.91 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 52 L 9.47 4.45 0.00 1.77 1.93 1.06 -0.10 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 53 G 8.55 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 54 Y 7.44 5.14 0.00 2.44 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 55 A 8.29 4.60 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.74 5.59 0.00 2.87 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 57 V 8.25 4.54 1.75 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 0.74 0.00 0.00 0.42 0.00 0.00 58 N 9.53 5.47 0.00 2.70 2.75 0.00 0.00 6.55 8.47 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 59 F 9.09 4.70 0.00 2.98 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 60 Q 9.03 4.30 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 61 Q 8.12 4.71 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 62 P 0.00 4.43 0.00 2.34 2.39 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 63 A 8.14 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.90 4.14 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.54 2.80 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 66 E 8.31 3.55 0.00 2.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 67 R 7.33 3.77 0.00 1.86 1.91 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 68 A 7.93 4.05 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 69 L 7.06 3.66 0.00 1.22 1.64 0.07 1.10 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 70 D 7.52 4.78 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.24 4.41 4.46 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 1.14 0.00 0.00 72 M 7.70 5.37 0.00 1.61 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.22 0.00 73 N 7.68 4.02 0.00 2.42 1.68 0.00 0.00 7.19 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 74 F 8.13 4.36 0.00 3.24 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 75 D 8.14 4.46 0.00 2.83 2.77 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 76 V 8.11 3.89 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 0.90 0.00 0.00 0.94 0.00 0.00 77 I 8.83 4.20 1.88 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 1.25 0.57 0.91 0.00 0.00 78 K 9.88 4.06 0.00 1.75 1.56 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 79 G 8.52 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 80 K 7.64 4.70 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 81 P 0.00 4.87 0.00 2.22 2.09 0.00 3.79 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 2.04 2.02 0.00 82 V 8.24 4.08 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 0.76 0.00 0.00 1.01 0.00 0.00 83 R 9.19 4.84 0.00 2.02 1.92 0.00 3.18 0.00 0.00 3.46 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 84 I 8.97 5.35 1.67 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 0.97 0.91 0.75 0.00 0.00 85 M 8.41 4.30 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 86 W 8.96 4.76 0.00 3.24 3.27 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 87 S 8.89 4.46 0.00 4.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.47 4.43 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 89 R 8.50 4.05 0.00 1.89 2.05 0.00 3.22 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 90 D 7.93 4.51 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 91 P 0.00 4.44 0.00 2.27 2.23 0.00 3.79 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 92 S 7.91 4.00 0.00 4.04 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.66 4.04 0.00 1.64 1.69 0.92 1.15 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 94 R 7.84 4.02 0.00 1.95 1.85 0.00 2.99 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 95 K 8.61 4.15 0.00 1.70 1.99 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.47 7.81 96 S 8.47 4.68 0.00 4.12 4.18 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 97 G 8.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 3.57 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 0.80 0.00 0.00 0.99 0.00 0.00 99 G 7.91 4.16 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 0.00 0.00 0.00 100 N 7.56 5.02 0.00 2.20 2.56 0.00 0.00 6.88 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.62 4.95 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 1.10 0.00 0.00 102 F 9.23 5.03 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.88 4.68 1.56 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.28 0.94 0.00 0.00 104 K 8.55 4.37 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.36 1.40 7.81 105 N 8.77 4.36 0.00 2.93 3.00 0.00 0.00 6.98 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 0.00 106 L 8.52 4.64 0.00 1.77 1.53 0.81 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.69 4.38 0.00 2.60 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 0.00 108 K 8.08 4.40 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.19 7.81 109 S 7.98 4.64 0.00 3.95 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 0.00 110 I 7.58 4.21 1.85 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 1.48 0.60 0.91 0.00 0.00 111 D 8.14 4.83 0.00 2.78 2.77 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 0.00 112 N 8.30 3.95 0.00 2.22 1.78 0.00 0.00 6.83 7.68 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 0.00 113 K 7.83 3.68 0.00 1.86 1.89 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.30 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.54 7.81 114 A 7.73 4.20 1.41 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 0.00 115 L 7.81 4.01 0.00 1.85 1.81 0.84 0.53 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 0.00 116 Y 8.37 4.09 0.00 3.12 3.13 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 0.00 117 D 8.13 4.43 0.00 3.06 2.76 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 0.00 118 T 8.44 3.84 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 1.48 0.00 0.00 119 F 8.49 5.12 0.00 3.25 3.37 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 0.00 120 S 8.23 4.21 0.00 3.67 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 0.00 121 A 7.76 3.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.10 4.30 0.00 2.87 3.04 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 0.00 123 G 7.07 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 0.00 124 N 8.34 4.74 0.00 3.06 2.89 0.00 0.00 6.55 7.24 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 0.00 125 I 8.20 4.45 1.45 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 1.48 0.69 0.52 0.00 0.00 126 L 9.25 4.28 0.00 1.60 1.70 1.00 0.85 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 0.00 127 S 7.71 4.85 0.00 3.82 3.56 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 0.00 128 C 8.72 5.32 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 9.13 4.84 0.00 1.93 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0.00 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 F 9.38 5.56 0.00 2.83 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 0.00 143 V 8.25 4.48 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 0.11 0.00 0.00 0.20 0.00 0.00 144 H 9.31 4.87 0.00 3.22 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.09 5.06 0.00 3.26 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 0.00 146 E 9.46 4.09 0.00 2.18 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 2.38 2.35 0.00 147 T 8.10 4.77 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 1.27 0.00 0.00 148 Q 8.52 4.17 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 149 E 8.25 3.64 0.00 2.09 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 2.38 2.44 0.00 150 A 7.84 3.88 1.20 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 0.00 0.00 151 A 7.41 3.35 1.47 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 0.00 0.00 152 E 8.50 3.88 0.00 1.92 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 2.32 2.41 0.00 153 R 7.69 4.00 0.00 2.09 2.00 0.00 3.18 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 154 A 7.45 2.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.31 4.05 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.84 0.00 0.00 156 E 8.86 3.86 0.00 2.03 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 2.27 0.00 157 K 7.51 4.23 0.00 1.89 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.28 7.81 158 M 7.53 4.32 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.30 0.00 159 N 7.92 4.36 0.00 2.66 2.74 0.00 0.00 7.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.89 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.77 4.36 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 162 L 8.34 4.41 0.00 1.66 1.69 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.66 4.43 0.00 1.58 1.63 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.38 4.00 0.00 2.95 2.95 0.00 0.00 7.13 8.08 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 0.00 165 D 8.03 4.61 0.00 2.86 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 0.00 166 R 7.67 4.60 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 167 K 8.63 4.69 0.00 1.54 1.63 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.04 7.81 168 V 8.04 4.63 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 0.74 0.00 0.00 1.05 0.00 0.00 169 F 9.05 5.18 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 7.78 4.39 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 0.77 0.00 0.00 0.97 0.00 0.00 171 G 8.20 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 0.00 172 R 8.55 4.62 0.00 1.83 1.94 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 173 F 8.49 4.51 0.00 3.09 3.07 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 0.00 174 K 7.63 3.50 0.00 1.68 1.57 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.36 7.81 175 S 8.11 3.93 0.00 3.75 3.70 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 * Residues marked with a * may have inaccurate shift predictions.