NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4881 8.1927 116.8048 58.5753 64.4447 174.2176 3 Q 4.0746 8.4577 123.8151 56.7686 29.0584 176.7533 4 S 4.1425 8.8611 116.4484 61.3151 63.4595 175.7051 5 N 4.4580 8.1510 119.8515 56.2312 38.4231 177.2208 6 R 4.0087 7.7630 118.7587 59.1005 30.0381 178.1165 7 E 3.9252 8.3844 119.6068 58.7500 29.4934 178.7319 8 L 3.8283 7.9459 119.3210 57.5788 41.6112 179.4379 9 V 3.8468 7.9901 118.1315 66.2284 31.5421 178.1033 10 V 2.7457 7.8010 117.9717 65.6556 31.2395 177.3699 11 D 4.1495 8.2079 117.9520 57.3049 41.0629 177.9631 12 F 3.9957 8.4381 121.3223 61.3443 39.3968 177.0586 13 L 4.1280 8.3556 118.8091 57.9070 41.4393 179.5511 14 S 4.3149 7.9457 115.1019 61.7993 62.7158 176.0153 15 Y 4.0942 8.0049 121.9271 60.9332 38.3173 178.4909 16 K 3.5829 7.7767 117.7976 59.1306 32.3486 179.2780 17 L 4.3044 8.4458 119.9663 57.9401 41.6731 179.3799 18 S 4.9678 8.5832 115.8604 61.0950 62.5024 176.1321 19 Q 3.9244 7.8975 121.7974 57.6691 28.5738 177.0679 20 K 4.3263 8.2072 117.8175 56.0539 32.8579 177.1591 21 G 3.7245 8.3952 109.4034 45.2347 0.0000 173.9712 22 Y 4.7725 7.1302 116.9460 56.8638 39.6803 174.0709 23 S 5.0207 8.3482 116.0508 55.9114 64.9013 174.6645 24 W 4.5154 9.1870 135.0000 60.7461 30.4941 177.3539 25 S 4.1282 8.0255 110.7173 60.1518 61.9241 174.2545 26 Q 3.8763 7.5286 117.8492 57.1372 28.3417 176.2489 27 F 4.8210 7.2292 113.7867 56.5233 41.5521 174.6113 28 S 4.5868 7.0852 115.3803 56.1187 66.3933 173.6054 29 D 4.3754 8.8072 123.0632 57.6550 40.7586 178.1442 *81 I 4.4033 7.8922 116.4782 60.5730 37.8755 174.8263 82 P 4.4307 0.0000 0.0000 62.9616 31.9187 176.5258 83 M 4.2246 8.4754 118.0493 57.4406 32.3656 178.3063 84 A 3.9094 7.9347 120.7150 55.1911 18.6099 179.2670 85 A 3.9582 7.9094 118.7690 54.9959 18.4070 180.0131 86 V 3.5382 7.1537 114.5134 66.2014 31.6682 178.3013 87 K 3.6858 8.4378 118.5644 59.5389 31.7756 179.1147 88 Q 3.7766 8.0518 119.4606 58.9771 28.9404 178.0291 89 A 4.0356 7.9962 121.8769 55.0467 18.4504 179.3569 90 L 3.9550 8.1595 118.9389 58.3397 42.1600 179.1940 91 R 3.7906 7.9791 118.0155 59.3626 29.8763 178.9173 92 E 4.0201 8.3734 117.8782 59.4648 29.4869 178.9942 93 A 4.0092 7.9631 122.6803 54.4213 18.2313 179.9102 94 G 3.9206 8.9091 104.2209 47.8046 0.0000 175.6248 95 D 4.4600 8.4460 121.7140 56.9926 40.8194 178.5372 96 E 4.0358 8.7873 120.1904 59.3148 29.7760 178.5892 97 F 4.2712 8.8494 121.0446 61.6226 39.2667 177.0039 98 E 4.2594 8.9111 118.3940 59.0458 28.9060 179.2337 99 L 4.0765 7.7878 119.9871 58.2542 42.3967 178.9251 100 R 3.9061 8.1604 116.3838 57.7293 30.8426 176.1823 101 Y 4.8433 7.8696 118.9293 56.6860 38.9472 177.7464 102 R 4.3745 8.1998 125.1272 61.1151 29.7155 179.7483 103 R 4.1565 8.2216 117.7143 59.3418 29.9527 178.3143 104 A 4.1503 7.5625 116.4615 53.2165 18.2764 177.5484 105 F 4.9710 7.8822 114.1285 56.5134 41.0571 176.2983 106 S 4.0189 7.8695 114.9340 60.7906 62.6742 175.0803 107 D 4.9030 8.2172 122.0205 52.3030 41.5985 175.6448 108 L 4.1625 8.4303 125.7986 58.2534 42.7137 177.9496 109 T 3.9322 8.1214 109.1392 64.7116 67.7978 175.8965 110 S 4.3293 7.7882 116.9023 60.8126 63.4237 176.2356 111 Q 4.0825 8.7400 120.5756 57.9018 28.4877 177.7466 112 L 4.5541 7.6619 116.7798 53.1952 43.7161 175.5698 113 H 4.0893 7.6283 113.7273 56.7973 26.3905 175.2926 114 I 4.1158 7.5791 119.4851 61.3005 37.9860 176.1887 115 T 4.8023 8.1185 113.2861 59.2039 71.8195 173.0098 116 P 4.3275 0.0000 0.0000 65.2316 31.5644 178.3397 117 G 3.7853 8.1732 106.5633 47.8327 0.0000 174.9619 118 T 4.4580 7.8619 113.8650 62.8644 69.3365 176.0401 119 A 4.1176 8.2620 124.5111 55.6516 18.4208 178.8459 120 Y 2.5284 7.9601 116.7540 60.5697 38.7071 178.1104 121 Q 3.7395 8.0348 118.1455 59.0904 28.8060 179.1430 122 S 4.0514 8.2022 116.0111 61.5519 62.9167 176.2125 123 F 4.1730 8.5566 123.5412 61.7066 39.0216 176.8638 124 E 3.7027 8.2875 118.9151 58.9923 29.4025 178.6699 125 Q 3.7710 8.1042 119.9878 58.9410 29.0758 178.1556 126 V 3.2372 7.5910 119.2879 65.9995 31.4840 178.2032 127 V 3.2110 7.2857 117.7978 65.9175 31.0449 177.7389 128 N 4.3889 8.0497 115.6877 56.0278 38.5013 176.8666 129 E 3.9316 7.8805 120.4900 59.1139 29.5748 178.2101 130 L 3.5828 7.4413 119.3309 57.7498 42.2108 178.2086 131 F 4.9156 7.5475 116.0713 56.1886 38.9847 177.2077 132 R 3.8592 7.7901 121.6577 59.6264 29.7917 177.2586 133 D 4.4648 8.1421 114.8172 55.0840 41.8396 176.5193 134 G 3.6902 6.2353 106.3716 44.8767 0.0000 171.7273 135 V 4.1713 7.4660 120.6311 60.4198 34.5553 175.6411 136 N 4.8041 7.5418 121.0581 50.3738 44.1106 175.7935 137 W 4.3490 8.7631 121.1350 59.6850 29.2417 179.1659 138 G 3.8784 8.3814 105.4809 48.1564 0.0000 175.8376 139 R 3.8183 7.9326 120.3051 58.7773 30.0564 179.0885 140 I 4.1264 7.6460 119.9701 64.4473 37.0717 178.6739 141 V 3.6941 8.1688 119.0008 65.8448 31.2964 177.9436 142 A 3.0464 7.7559 120.5905 54.6328 18.1767 179.2205 143 F 4.0397 8.5130 119.4856 61.5281 39.3901 177.4181 144 F 3.4565 8.2963 117.1044 60.5308 38.7002 177.7700 145 S 4.4644 8.1757 114.7692 61.6204 62.5641 176.4726 146 F 4.8666 8.6645 123.5357 61.6744 39.2138 177.4195 147 G 3.4863 7.9297 105.1540 47.5060 0.0000 175.8554 148 G 3.7305 8.4212 107.8928 47.7674 0.0000 175.6666 149 A 4.0810 8.5720 124.2702 54.5683 18.5130 179.3876 150 L 3.8311 8.0342 118.9609 58.4553 42.1305 179.1247 151 C 3.9711 7.9321 116.3713 62.8839 28.2518 175.9785 152 V 3.6098 7.7590 119.7391 66.4142 31.1256 177.7890 153 E 4.6862 8.1422 118.9367 58.3249 29.3608 179.3306 154 S 4.0743 7.7515 115.3470 61.4381 62.6087 176.7696 155 V 3.2727 7.3144 120.0730 65.8788 31.5378 177.6052 156 D 4.5603 7.8924 118.1321 56.0349 40.5491 177.3837 157 K 4.9315 7.6121 118.3843 56.5030 32.7151 175.5536 158 E 4.1317 8.1659 112.6167 57.0390 27.2974 174.8465 159 M 4.8114 8.3296 114.7516 54.0906 33.2585 178.0987 160 Q 3.5309 8.2266 119.7317 59.2141 27.6882 177.9467 161 V 3.5076 7.7083 120.7353 64.8880 31.1970 178.1653 162 L 3.8656 8.0682 119.5770 57.1715 41.3063 178.8942 163 V 3.3194 7.2440 118.2138 66.6404 31.2457 178.3110 164 S 4.1332 7.6131 112.9154 61.2226 62.9348 176.4978 165 R 3.3589 6.9813 118.5843 58.8063 29.5712 178.9443 166 I 2.9252 7.5031 119.5601 63.9354 36.9753 178.1660 167 A 3.9877 7.7454 121.5738 55.2846 18.1409 179.5347 168 S 4.0459 7.7880 111.4161 61.5042 62.3845 176.4466 169 W 4.5052 7.7904 121.5684 60.0111 28.5748 178.5309 170 M 4.5953 8.4865 118.7470 58.5256 31.4664 178.5627 171 A 4.1547 8.4568 121.2181 55.5888 18.5397 179.7096 172 T 3.8932 8.3949 114.4846 67.1578 68.5289 176.2705 173 Y 3.9778 8.6461 121.5900 60.3554 38.7646 177.5403 174 L 3.8180 8.9635 122.1826 58.3808 42.0790 178.7879 175 N 4.3579 8.6208 115.2468 56.4709 38.5760 176.9070 176 D 4.3869 8.2993 119.5570 56.5760 41.1405 177.5481 177 H 4.4919 7.8435 113.5905 55.1543 30.6663 175.3518 178 L 4.0909 7.1821 119.8868 56.0310 42.5967 177.6861 179 E 3.8866 8.1992 119.7568 59.0866 29.3564 177.1546 180 P 4.1657 0.0000 0.0000 65.4618 31.4353 178.2230 181 W 3.8577 8.0474 126.3298 60.3820 30.5634 177.6091 182 I 3.3164 7.8991 119.6764 64.5414 36.5437 178.3807 183 Q 3.9114 8.1451 118.7794 59.0285 28.3622 178.5221 184 E 3.9153 7.9877 119.1254 58.7919 29.5499 177.5987 185 N 4.4782 7.0419 114.1627 52.7184 38.7535 175.7611 186 G 3.8965 7.5257 108.8918 45.6776 0.0000 174.7850 187 G 4.0210 8.3578 106.6930 44.8008 0.0000 174.6701 188 W 4.4321 8.7199 117.1368 59.3950 28.3195 178.4115 189 D 4.5204 8.3516 118.8501 57.5665 39.6913 178.5831 190 T 3.9053 8.0311 116.5624 66.2064 68.3535 176.6438 191 F 3.1495 7.3921 122.1961 60.8601 39.2618 176.9636 192 V 3.3803 7.5046 116.5172 66.2345 31.2558 177.5402 193 D 4.3966 7.7222 116.9882 57.5313 40.8517 178.5704 194 L 4.0973 7.7094 118.1995 55.6881 41.8113 178.5035 195 Y 4.3673 8.8246 120.5869 58.0051 37.5959 177.9823 196 G 3.5793 8.5838 104.6747 44.2085 0.0000 174.0085 *197 N 4.5219 7.9090 119.3869 52.8369 38.3223 175.6319 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 S 8.19 4.49 0.00 3.99 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 3 Q 8.46 4.07 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 4 S 8.86 4.14 0.00 4.11 4.14 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 5 N 8.15 4.46 0.00 3.16 3.06 0.00 0.00 6.81 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 6 R 7.76 4.01 0.00 1.97 2.07 0.00 3.31 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 7 E 8.38 3.93 0.00 2.31 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 2.25 2.31 0.00 8 L 7.95 3.83 0.00 1.98 1.66 -0.22 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.99 3.85 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.15 0.00 0.00 10 V 7.80 2.75 1.84 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 0.12 0.00 0.00 0.89 0.00 0.00 11 D 8.21 4.15 0.00 2.80 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 12 F 8.44 4.00 0.00 3.12 3.28 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 13 L 8.36 4.13 0.00 1.54 1.89 1.08 1.37 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 14 S 7.95 4.31 0.00 3.97 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 15 Y 8.00 4.09 0.00 2.97 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 16 K 7.78 3.58 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.01 1.53 7.81 17 L 8.45 4.30 0.00 2.08 2.02 1.45 0.81 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 18 S 8.58 4.97 0.00 3.99 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 19 Q 7.90 3.92 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.27 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 20 K 8.21 4.33 0.00 1.78 1.58 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.50 7.81 21 G 8.40 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.13 4.77 0.00 3.23 3.09 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 23 S 8.35 5.02 0.00 3.83 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 24 W 9.19 4.52 0.00 3.56 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 25 S 8.03 4.13 0.00 3.92 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 26 Q 7.53 3.88 0.00 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.48 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 27 F 7.23 4.82 0.00 2.51 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.09 4.59 0.00 2.93 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 29 D 8.81 4.38 0.00 2.67 2.74 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 0.00 *81 I 7.89 4.40 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 1.12 1.12 0.94 0.00 0.00 82 P 0.00 4.43 0.00 2.21 2.18 0.00 3.70 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 2.08 1.96 0.00 83 M 8.48 4.22 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 84 A 7.93 3.91 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 85 A 7.91 3.96 1.32 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 0.00 0.00 86 V 7.15 3.54 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 0.72 0.00 0.00 1.10 0.00 0.00 87 K 8.44 3.69 0.00 1.81 1.85 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.54 7.81 88 Q 8.05 3.78 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 89 A 8.00 4.04 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 90 L 8.16 3.95 0.00 1.68 1.67 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.98 3.79 0.00 1.73 1.16 0.00 2.68 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.59 0.00 92 E 8.37 4.02 0.00 2.36 2.23 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 2.38 2.67 0.00 93 A 7.96 4.01 1.14 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 0.00 0.00 94 G 8.91 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 0.00 0.00 0.00 95 D 8.45 4.46 0.00 2.99 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 96 E 8.79 4.04 0.00 2.23 2.36 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 2.45 2.43 0.00 97 F 8.85 4.27 0.00 3.46 3.38 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 98 E 8.91 4.26 0.00 2.28 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 1.47 1.99 0.00 99 L 7.79 4.08 0.00 1.94 1.97 0.96 0.81 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 0.00 100 R 8.16 3.91 0.00 1.14 1.23 0.00 3.07 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 101 Y 7.87 4.84 0.00 2.93 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 0.00 102 R 8.20 4.37 0.00 1.81 1.96 0.00 3.34 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.17 0.00 103 R 8.22 4.16 0.00 1.87 2.03 0.00 3.11 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 104 A 7.56 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.88 4.97 0.00 3.15 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 0.00 106 S 7.87 4.02 0.00 4.00 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 0.00 107 D 8.22 4.90 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.43 4.16 0.00 2.03 1.86 1.09 0.92 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 0.00 109 T 8.12 3.93 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 0.00 110 S 7.79 4.33 0.00 4.03 3.93 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 0.00 111 Q 8.74 4.08 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 112 L 7.66 4.55 0.00 1.63 1.70 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.63 4.09 0.00 3.38 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.58 4.12 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.98 0.00 0.00 115 T 8.12 4.80 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 1.30 0.00 0.00 116 P 0.00 4.33 0.00 2.09 2.19 0.00 3.70 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 2.03 2.10 0.00 117 G 8.17 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 0.00 0.00 0.00 118 T 7.86 4.46 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 A 8.26 4.12 1.70 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 0.00 0.00 120 Y 7.96 2.53 0.00 2.44 2.75 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 0.00 121 Q 8.03 3.74 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 122 S 8.20 4.05 0.00 4.13 3.98 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 0.00 123 F 8.56 4.17 0.00 3.21 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 0.00 124 E 8.29 3.70 0.00 1.51 1.59 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 2.07 2.25 0.00 125 Q 8.10 3.77 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 126 V 7.59 3.24 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.67 0.00 0.00 127 V 7.29 3.21 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 0.16 0.00 0.00 0.33 0.00 0.00 128 N 8.05 4.39 0.00 2.66 2.83 0.00 0.00 7.02 7.23 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 0.00 129 E 7.88 3.93 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 130 L 7.44 3.58 0.00 1.40 1.21 0.09 0.21 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 0.00 131 F 7.55 4.92 0.00 3.10 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 0.00 132 R 7.79 3.86 0.00 1.81 2.07 0.00 3.20 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 133 D 8.14 4.46 0.00 2.61 2.63 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 0.00 134 G 6.24 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 0.00 135 V 7.47 4.17 0.67 0.00 0.00 0.00 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 0.41 0.00 0.00 136 N 7.54 4.80 0.00 2.78 2.69 0.00 0.00 7.06 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 0.00 137 W 8.76 4.35 0.00 3.72 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.38 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.93 3.82 0.00 1.82 1.39 0.00 3.02 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 140 I 7.65 4.13 2.17 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 1.30 0.00 0.00 141 V 8.17 3.69 2.32 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 1.06 0.00 0.00 1.09 0.00 0.00 142 A 7.76 3.05 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 0.00 143 F 8.51 4.04 0.00 3.26 3.33 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 0.00 144 F 8.30 3.46 0.00 2.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.18 4.46 0.00 3.97 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 0.00 146 F 8.66 4.87 0.00 3.13 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 0.00 147 G 7.93 3.49 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 0.00 148 G 8.42 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 0.00 149 A 8.57 4.08 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.03 3.83 0.00 1.60 1.66 0.86 0.85 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 0.00 151 C 7.93 3.97 0.00 3.20 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 0.00 152 V 7.76 3.61 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 1.19 0.00 0.00 1.02 0.00 0.00 153 E 8.14 4.69 0.00 2.17 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 2.38 2.39 0.00 154 S 7.75 4.07 0.00 3.86 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 0.00 155 V 7.31 3.27 1.59 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 -0.15 0.00 0.00 0.06 0.00 0.00 156 D 7.89 4.56 0.00 2.93 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 0.00 157 K 7.61 4.93 0.00 1.74 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.50 7.81 158 E 8.17 4.13 0.00 2.06 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 2.22 2.21 0.00 159 M 8.33 4.81 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.41 0.00 160 Q 8.23 3.53 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 161 V 7.71 3.51 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 0.83 0.00 0.00 0.87 0.00 0.00 162 L 8.07 3.87 0.00 1.62 1.62 0.94 0.93 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 0.00 163 V 7.24 3.32 1.66 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 0.87 0.00 0.00 0.06 0.00 0.00 164 S 7.61 4.13 0.00 3.97 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 0.00 165 R 6.98 3.36 0.00 1.39 0.80 0.00 2.98 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 166 I 7.50 2.93 1.83 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 1.36 0.42 0.80 0.00 0.00 167 A 7.75 3.99 1.59 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 0.00 0.00 168 S 7.79 4.05 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 W 7.79 4.51 0.00 2.85 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 0.00 170 M 8.49 4.60 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 171 A 8.46 4.15 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 0.00 172 T 8.39 3.89 4.69 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 1.41 0.00 0.00 173 Y 8.65 3.98 0.00 3.49 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.96 3.82 0.00 2.10 1.97 1.09 0.37 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 0.00 175 N 8.62 4.36 0.00 2.79 2.89 0.00 0.00 7.20 8.42 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 0.00 176 D 8.30 4.39 0.00 2.54 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 0.00 177 H 7.84 4.49 0.00 1.61 2.78 0.00 5.83 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 0.00 178 L 7.18 4.09 0.00 1.62 1.48 -0.19 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.20 3.89 0.00 2.19 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 2.35 2.44 0.00 180 P 0.00 4.17 0.00 2.14 2.04 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 181 W 8.05 3.86 0.00 3.21 3.09 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 0.00 182 I 7.90 3.32 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.53 0.00 0.00 183 Q 8.15 3.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 184 E 7.99 3.92 0.00 1.86 1.76 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 2.15 2.18 0.00 185 N 7.04 4.48 0.00 2.01 2.48 0.00 0.00 7.29 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 0.00 186 G 7.53 3.90 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 0.00 0.00 0.00 187 G 8.36 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 0.00 188 W 8.72 4.43 0.00 3.50 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 0.00 189 D 8.35 4.52 0.00 2.82 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 0.00 190 T 8.03 3.91 4.50 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 1.35 0.00 0.00 191 F 7.39 3.15 0.00 1.51 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 0.00 192 V 7.50 3.38 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 0.87 0.00 0.00 1.10 0.00 0.00 193 D 7.72 4.40 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.71 4.10 0.00 1.41 1.74 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 8.82 4.37 0.00 1.90 1.76 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 0.00 196 G 8.58 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 N 7.91 4.52 0.00 2.50 2.64 0.00 0.00 6.84 7.56 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 * Residues marked with a * may have inaccurate shift predictions.