NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8198 8.1676 115.8707 57.2002 40.0457 175.9461 11 H 4.1222 5.2900 116.0871 53.9945 29.7042 170.3818 12 E 4.5516 9.4538 123.2605 57.6065 30.0401 176.8351 13 M 4.5636 7.0983 112.7870 55.0322 32.1737 176.4936 14 R 4.5743 7.7207 116.1845 55.2303 32.7539 175.1407 15 E 4.1824 7.9621 117.4629 54.6906 30.4858 174.4558 16 P 4.6275 0.0000 0.0000 62.9577 32.3329 174.7683 17 R 4.1221 7.5484 114.4440 55.7553 33.0678 173.6109 18 I 4.4706 8.4174 121.0801 60.1855 38.3758 175.0444 19 E 4.4822 8.7797 129.2516 54.4488 30.9543 172.4304 20 K 4.4716 8.7283 131.7454 55.3405 33.9916 174.6442 21 V 4.4402 7.7884 119.0567 61.3488 34.9104 174.3865 22 V 4.4547 8.2403 129.3917 61.8310 32.5275 174.9704 23 V 4.4934 8.2463 123.1419 60.2979 33.0202 175.0380 24 H 5.2600 8.7923 124.5839 54.6853 34.1863 172.1124 25 M 4.4558 8.4758 124.2857 53.2072 33.6332 175.5741 26 G 4.0621 8.0042 113.6924 45.8134 0.0000 172.1030 27 I 4.1068 7.5132 124.4555 60.5808 39.5282 176.6800 28 G 4.1163 7.9447 111.8387 45.6607 0.0000 172.5036 29 H 4.7118 7.9909 119.0540 55.5280 29.9524 173.7389 *35 A 4.2046 6.9932 123.2665 52.0442 19.1055 176.3327 36 N 4.3858 8.8492 111.9214 56.4341 36.2718 176.5842 37 A 3.7675 7.9668 122.3532 54.6083 18.4059 178.9150 38 E 3.8944 8.5440 118.2017 59.8609 29.1211 178.9159 39 D 4.4116 7.6004 118.6181 57.6820 40.8506 179.3510 40 I 3.8467 7.5048 112.4781 63.9720 37.6936 178.2283 41 L 4.0641 7.9733 120.4868 57.4859 41.5013 179.5669 42 G 3.6227 8.3596 105.7980 47.6022 0.0000 175.3939 43 E 4.1857 7.5776 118.4998 58.5922 29.8211 178.4574 44 I 3.9924 8.0920 118.5919 63.0902 38.0765 176.7569 45 T 4.5356 7.9456 108.7575 64.3558 69.9959 174.8968 46 G 3.8556 6.9566 108.3772 44.2945 0.0000 173.2408 47 Q 4.5738 7.6707 115.5896 54.2295 31.6492 174.3075 48 M 3.9052 8.5168 118.4953 55.9146 32.4343 174.7013 49 P 4.8640 0.0000 0.0000 61.5860 33.7962 175.0038 50 V 4.4570 8.2097 119.8122 60.8871 34.3821 175.3235 51 R 4.3988 8.7843 126.0037 57.2268 31.2669 176.7526 52 T 4.4912 8.5577 117.0854 61.5342 70.7794 174.0544 53 K 5.2996 8.8320 124.9460 55.7088 33.2525 175.8427 54 A 4.8893 8.3544 122.4998 50.2221 22.1516 175.6372 55 K 4.5701 8.4632 117.5647 55.6819 35.0823 175.7219 56 R 4.2370 8.7080 121.7326 56.6056 29.5009 175.9063 57 T 4.5735 8.2159 117.0846 62.4894 69.9613 174.6290 58 V 4.5456 8.7318 125.2698 60.5747 35.0391 176.0019 59 G 3.8467 9.0083 113.6077 48.8783 0.0000 175.0455 60 E 4.2377 8.1331 118.1906 58.7835 27.9985 176.3142 61 F 4.1544 7.5887 112.7061 60.6423 39.0503 174.9075 62 D 4.9805 8.0224 116.6366 52.2076 40.6703 175.4348 63 I 4.2903 7.5564 113.3138 61.2643 39.4175 177.1132 64 R 3.9064 7.8594 122.0214 56.0030 29.5144 174.5955 65 E 3.9648 8.1989 129.2722 58.6416 29.2397 176.3709 66 G 3.8880 8.0376 111.9325 46.6048 0.0000 172.0160 67 D 4.5492 8.3063 121.6561 51.5011 42.3277 173.6460 68 P 4.5272 0.0000 0.0000 63.0585 31.4773 176.2200 69 I 4.5801 9.3242 122.5548 59.7217 40.9116 175.2610 70 G 4.2435 7.2431 112.4527 45.3149 0.0000 170.8780 71 A 5.8887 7.7209 119.4965 49.3477 23.2386 175.0696 72 K 5.0334 8.2900 116.6516 55.8024 37.0395 175.5462 73 V 4.5350 8.5379 120.6465 61.8545 34.7457 173.4700 74 T 4.7322 8.5243 119.2461 60.5508 69.9632 173.9123 75 L 4.7166 8.5097 127.0404 52.8930 43.9351 175.9415 76 R 4.7360 8.1517 121.3956 54.9850 33.5648 176.9528 77 D 4.2467 8.8037 119.9922 55.2952 39.1432 175.8804 78 E 3.9561 9.0507 121.3845 61.3078 29.1135 178.6672 79 M 4.0530 8.2981 117.5021 58.6436 31.9091 178.7205 80 A 4.0139 8.2628 120.9403 55.0869 18.5588 179.5455 81 E 3.9194 8.0333 116.5514 59.7782 29.6054 179.1063 82 E 3.8827 8.3505 117.7329 59.1314 29.7689 179.1115 83 F 4.3760 7.6437 120.3146 60.8312 39.9856 177.6183 84 L 4.2463 8.1097 117.9932 57.1819 41.0970 178.6174 85 Q 4.2882 7.9366 116.4546 56.5881 28.4793 176.3497 86 T 4.5433 7.2609 107.4769 60.9085 72.7514 175.6663 87 A 4.0566 7.8472 124.6790 54.8553 18.4880 179.3056 88 L 3.5293 7.6855 117.0364 57.6592 41.5758 178.1393 89 P 4.2687 0.0000 0.0000 65.0716 31.2877 177.5837 90 L 4.3689 7.5384 115.3023 54.0018 42.1268 176.1451 91 A 4.8395 7.7923 122.0161 50.4180 21.5502 174.7291 92 E 4.4345 8.0916 116.7410 58.1017 31.9262 176.2859 93 L 3.7361 6.5947 117.9184 52.3900 43.8211 175.9587 94 A 4.4957 8.5538 122.2263 52.5161 21.3725 174.2467 95 T 3.1870 9.4600 113.5437 62.3670 69.6337 172.7513 96 S 4.1177 8.7158 121.3179 60.1901 63.6135 172.9277 97 Q 4.5245 7.9654 119.2208 55.7880 28.6552 174.2811 98 F 5.0295 7.7084 114.8971 55.1359 41.0767 175.0694 99 D 4.6594 10.0617 123.9119 54.5358 41.6305 175.7764 100 D 4.6833 8.5384 119.5285 55.4700 41.2796 177.6363 101 T 4.5651 7.2207 112.8124 62.2230 68.7590 174.4974 102 G 3.9194 8.2599 108.6288 47.0392 0.0000 172.9489 103 N 5.3317 7.7784 115.2230 51.1489 42.4024 173.2460 104 F 4.8320 7.4857 109.5688 56.2281 41.2203 173.0447 105 S 5.0230 8.2745 114.4639 56.4973 65.1463 172.8407 106 F 4.9422 8.6165 120.8356 55.3132 41.5490 173.5775 107 G 3.9371 8.8996 103.2454 43.8177 0.0000 173.6486 *128 L 3.9948 8.1709 125.4024 55.1456 42.9154 176.8838 129 D 4.7396 8.6215 126.5490 53.4105 43.4325 176.4980 130 V 4.1199 7.9678 120.6813 61.9288 34.5660 173.7980 131 T 4.7085 8.2284 124.9534 61.6609 71.3932 174.1570 132 V 4.3184 7.8000 124.7471 61.0646 34.3658 173.7067 133 N 4.6599 8.5766 127.6465 52.4003 39.9994 173.5640 134 L 5.2576 8.1614 126.2158 53.3209 44.2953 175.9153 135 V 4.2539 7.8596 119.8648 61.2284 35.0787 171.7367 136 R 4.3445 8.3598 117.2650 54.9459 31.3767 177.1437 137 P 4.0000 0.0000 0.0000 64.9955 32.3001 176.9761 138 G 4.2039 7.9018 107.2940 45.7426 0.0000 175.5578 139 Y 4.2576 8.3165 122.5842 60.4055 38.9942 176.1990 140 R 3.7367 8.2636 119.2632 59.7520 29.8603 178.0018 141 V 3.5660 7.5589 116.0799 64.7980 31.1833 176.6285 142 A 4.6850 7.9871 118.3969 50.9483 19.6763 176.6790 143 K 4.3314 7.7746 114.1155 55.7091 33.5730 176.5736 144 R 4.3700 7.5255 115.4258 55.0504 31.0865 176.5408 145 D 4.4299 8.5262 117.5704 57.1024 41.4014 177.6066 146 K 4.1423 7.9090 118.2345 56.9901 32.9063 176.6519 147 A 3.7383 8.7539 123.7774 52.5553 16.2956 177.1626 148 S 4.5175 7.1436 111.2884 60.9274 63.5059 173.4638 149 R 4.5826 9.0411 119.4043 55.1837 33.7533 173.8569 150 S 4.3585 8.5738 119.9846 57.9201 63.3564 173.7555 151 I 3.9002 8.2892 127.9781 60.3439 37.5307 174.2661 152 P 4.3275 0.0000 0.0000 62.8772 31.9954 177.1895 153 T 3.8906 8.8581 112.5238 65.0140 68.5688 176.3291 154 K 3.9930 8.0807 120.1810 59.2942 32.1818 177.0486 155 H 4.6010 8.2899 115.9711 56.2278 29.9638 175.2697 156 R 4.2744 7.4107 116.9416 56.2599 31.0404 175.6405 157 L 4.3454 8.2301 121.9803 54.5119 43.3291 175.8284 158 N 5.0533 8.1590 121.6546 51.1100 41.7176 174.6202 159 P 4.3281 0.0000 0.0000 65.8725 31.5062 178.7979 160 A 3.8661 7.9012 118.7090 55.4717 17.9868 179.3081 161 D 4.3997 8.1936 116.2539 57.0069 40.7702 179.0065 162 A 4.1264 7.9172 121.6877 55.0995 18.7089 179.3673 163 V 3.1873 7.6444 116.5998 66.6605 31.4215 177.4131 164 A 3.8928 7.9384 119.6802 55.0164 17.8723 178.9261 165 F 4.0664 8.0022 117.9009 61.6731 39.9027 177.8896 166 I 3.5478 7.9141 118.7795 64.3831 36.8048 177.8376 167 E 4.4005 8.2695 120.6425 58.5440 29.4522 177.8538 168 S 4.5776 8.2983 112.2465 57.6890 64.6918 175.1876 169 T 4.6681 7.8535 113.5208 63.3667 71.6609 172.8576 170 Y 3.2890 7.8451 123.9904 57.0906 34.9523 168.2521 171 D 4.4663 6.5050 117.1633 53.7205 43.1483 175.8732 172 V 4.7030 7.6259 117.1615 60.9840 35.6222 178.3189 173 E 4.3703 9.0035 122.2794 56.3397 28.7224 177.3334 174 V 3.6764 7.8825 117.1518 62.1549 31.7259 175.1855 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 10 F 8.17 4.82 0.00 3.35 3.40 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 11 H 5.29 4.12 0.00 3.11 2.39 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 4.55 0.00 1.72 1.86 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 2.08 2.18 0.00 13 M 7.10 4.56 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 14 R 7.72 4.57 0.00 1.78 1.96 0.00 3.38 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 1.60 1.71 0.00 15 E 7.96 4.18 0.00 2.17 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 2.35 2.30 0.00 16 P 0.00 4.63 0.00 0.97 1.64 0.00 3.65 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 1.98 2.00 0.00 17 R 7.55 4.12 0.00 1.76 1.83 0.00 2.73 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 18 I 8.42 4.47 1.98 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 1.44 0.93 0.97 0.00 0.00 19 E 8.78 4.48 0.00 1.83 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 0.00 2.18 2.21 0.00 20 K 8.73 4.47 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.31 7.81 21 V 7.79 4.44 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 0.99 0.00 0.00 0.96 0.00 0.00 22 V 8.24 4.45 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 0.81 0.00 0.00 0.85 0.00 0.00 23 V 8.25 4.49 1.90 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 0.08 0.00 0.00 0.72 0.00 0.00 24 H 8.79 5.26 0.00 3.14 2.97 0.00 5.53 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.48 4.46 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 8.00 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 27 I 7.51 4.11 1.76 0.00 0.00 0.82 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 0.71 0.71 0.00 0.00 28 G 7.94 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.99 4.71 0.00 3.18 3.36 0.00 5.76 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 *35 A 6.99 4.20 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 N 8.85 4.39 0.00 2.92 3.13 0.00 0.00 5.88 7.46 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 37 A 7.97 3.77 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 38 E 8.54 3.89 0.00 1.97 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 2.49 0.00 39 D 7.60 4.41 0.00 2.50 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 40 I 7.50 3.85 1.88 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 1.76 0.69 0.92 0.00 0.00 41 L 7.97 4.06 0.00 1.88 1.72 0.87 0.87 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 42 G 8.36 3.62 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 0.00 0.00 0.00 43 E 7.58 4.19 0.00 2.02 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 2.33 2.53 0.00 44 I 8.09 3.99 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.89 1.07 0.00 0.00 45 T 7.95 4.54 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 0.93 0.00 0.00 46 G 6.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.67 4.57 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.52 3.91 0.00 2.01 2.06 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 2.60 2.59 0.00 49 P 0.00 4.86 0.00 1.90 1.95 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 50 V 8.21 4.46 2.05 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 1.02 0.00 0.00 0.91 0.00 0.00 51 R 8.78 4.40 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.56 4.49 4.36 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 1.21 0.00 0.00 53 K 8.83 5.30 0.00 1.63 1.74 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.35 4.89 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 55 K 8.46 4.57 0.00 1.61 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.71 4.24 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.22 4.57 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 1.24 0.00 0.00 58 V 8.73 4.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 59 G 9.01 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 60 E 8.13 4.24 0.00 2.14 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 0.00 2.31 2.34 0.00 61 F 7.59 4.15 0.00 3.03 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 62 D 8.02 4.98 0.00 2.96 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.56 4.29 1.93 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 1.42 0.83 1.06 0.00 0.00 64 R 7.86 3.91 0.00 1.76 2.07 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 65 E 8.20 3.96 0.00 2.02 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 0.00 2.29 2.32 0.00 66 G 8.04 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 67 D 8.31 4.55 0.00 2.64 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 68 P 0.00 4.53 0.00 1.94 2.03 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 69 I 9.32 4.58 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.14 0.92 0.00 0.00 70 G 7.24 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 0.00 0.00 0.00 0.00 71 A 7.72 5.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.29 5.03 0.00 1.75 1.87 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.54 4.54 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 0.84 0.00 0.00 0.85 0.00 0.00 74 T 8.52 4.73 4.19 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 1.15 0.00 0.00 75 L 8.51 4.72 0.00 1.50 1.62 0.57 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.15 4.74 0.00 1.63 1.78 0.00 3.33 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 77 D 8.80 4.25 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.05 3.96 0.00 2.02 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 2.42 2.44 0.00 79 M 8.30 4.05 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 8.26 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.92 0.00 2.13 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 2.45 2.60 0.00 82 E 8.35 3.88 0.00 1.95 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 0.00 2.36 2.57 0.00 83 F 7.64 4.38 0.00 3.12 3.26 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 84 L 8.11 4.25 0.00 1.94 1.81 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.94 4.29 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 86 T 7.26 4.54 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 1.14 0.00 0.00 87 A 7.85 4.06 1.16 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 88 L 7.69 3.53 0.00 1.77 1.65 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.27 0.00 1.98 2.11 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 90 L 7.54 4.37 0.00 1.87 1.74 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.79 4.84 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 92 E 8.09 4.43 0.00 1.94 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 2.20 2.29 0.00 93 L 6.59 3.74 0.00 1.77 1.79 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.55 4.50 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 95 T 9.46 3.19 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 1.09 0.00 0.00 96 S 8.72 4.12 0.00 4.24 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 0.00 97 Q 7.97 4.52 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 98 F 7.71 5.03 0.00 2.98 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 99 D 10.06 4.66 0.00 2.78 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 0.00 100 D 8.54 4.68 0.00 2.73 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 0.00 101 T 7.22 4.57 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 1.25 0.00 0.00 102 G 8.26 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 0.00 103 N 7.78 5.33 0.00 2.94 2.67 0.00 0.00 6.57 8.13 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 0.00 104 F 7.49 4.83 0.00 2.59 1.57 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 0.00 105 S 8.27 5.02 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.62 4.94 0.00 3.18 3.20 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 0.00 107 G 8.90 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 8.17 3.99 0.00 1.68 1.66 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.62 4.74 0.00 2.73 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 0.00 130 V 7.97 4.12 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 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 131 T 8.23 4.71 4.07 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 1.04 0.00 0.00 132 V 7.80 4.32 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 1.07 0.00 0.00 0.74 0.00 0.00 133 N 8.58 4.66 0.00 2.74 2.90 0.00 0.00 6.62 7.95 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 0.00 134 L 8.16 5.26 0.00 1.78 1.51 1.30 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.86 4.25 1.54 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 0.22 0.00 0.00 0.66 0.00 0.00 136 R 8.36 4.34 0.00 1.82 1.97 0.00 2.95 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 137 P 0.00 4.00 0.00 2.26 2.11 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 138 G 7.90 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 0.00 0.00 0.00 139 Y 8.32 4.26 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.26 3.74 0.00 1.93 1.97 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 141 V 7.56 3.57 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 0.96 0.00 0.00 0.96 0.00 0.00 142 A 7.99 4.68 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 0.00 143 K 7.77 4.33 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.79 1.42 7.81 144 R 7.53 4.37 0.00 1.89 1.91 0.00 3.07 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 145 D 8.53 4.43 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 0.00 146 K 7.91 4.14 0.00 1.80 1.70 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.42 7.81 147 A 8.75 3.74 1.28 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 0.00 148 S 7.14 4.52 0.00 3.88 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 0.00 149 R 9.04 4.58 0.00 1.81 1.72 0.00 3.07 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 150 S 8.57 4.36 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.29 3.90 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 1.04 0.00 0.00 152 P 0.00 4.33 0.00 2.21 2.01 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 153 T 8.86 3.89 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 0.00 154 K 8.08 3.99 0.00 1.79 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 8.29 4.60 0.00 3.09 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.41 4.27 0.00 2.08 1.88 0.00 3.43 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 157 L 8.23 4.35 0.00 1.68 1.72 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.16 5.05 0.00 3.21 2.72 0.00 0.00 6.77 7.91 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 0.00 159 P 0.00 4.33 0.00 2.16 2.18 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 160 A 7.90 3.87 1.28 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 0.00 161 D 8.19 4.40 0.00 2.83 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 0.00 162 A 7.92 4.13 1.65 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 0.00 0.00 163 V 7.64 3.19 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 0.66 0.00 0.00 0.18 0.00 0.00 164 A 7.94 3.89 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 0.00 165 F 8.00 4.07 0.00 3.03 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 0.00 166 I 7.91 3.55 1.87 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.17 0.88 0.00 0.00 167 E 8.27 4.40 0.00 1.87 2.15 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 2.27 2.14 0.00 168 S 8.30 4.58 0.00 3.83 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 0.00 169 T 7.85 4.67 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 1.17 0.00 0.00 170 Y 7.85 3.29 0.00 3.01 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 0.00 171 D 6.51 4.47 0.00 2.95 2.88 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 0.00 172 V 7.63 4.70 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.00 4.37 0.00 1.96 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 2.38 2.19 0.00 174 V 7.88 3.68 2.05 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 0.76 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.