NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3332 8.1127 119.0738 55.4604 31.4632 175.7240 9 L 3.7850 8.3065 117.5105 59.1324 41.9018 177.3525 10 D 4.8567 8.9631 118.4226 56.7375 41.7514 176.0692 11 D 4.8200 7.8697 116.8295 54.1815 41.8050 177.1651 12 Q 4.2116 7.9902 120.8385 55.3476 30.1430 176.6177 13 I 3.7762 8.5542 124.8212 64.2509 38.1320 178.2485 14 G 3.7089 8.1221 106.0540 47.7118 0.0000 175.3232 15 F 4.3684 8.2036 122.4915 61.2807 39.6221 177.1644 16 I 3.5118 8.0130 119.5551 64.3384 36.8735 178.4775 17 L 3.9884 8.4114 120.2938 57.6756 41.4121 179.5530 18 R 3.8975 7.9815 118.7849 59.4575 29.9376 178.6423 19 Q 3.8766 7.8815 117.7335 58.6776 28.6085 178.5149 20 A 3.9444 7.9618 121.8236 55.0729 18.3562 179.0918 21 N 4.2612 8.1378 115.4881 57.1136 39.0792 177.0596 22 Q 4.0059 8.5104 119.7558 58.9328 28.9047 178.8216 23 R 3.8721 8.2904 119.9951 59.6005 30.0505 177.9708 24 Y 3.9740 8.3139 119.1980 60.6147 38.8229 177.7800 25 A 3.9731 8.5860 121.9325 55.0254 18.2699 179.5445 26 A 3.9501 7.9841 119.3803 55.2197 18.4797 179.9268 27 L 3.9194 7.7017 117.2252 57.6556 41.6470 179.2999 28 F 3.5564 8.0713 120.6258 61.2880 39.1458 177.0193 29 A 4.0081 7.9386 118.8594 54.6914 18.1496 178.1555 30 N 4.6141 7.4922 112.4747 54.2949 39.5888 176.1356 31 G 3.8016 7.3022 104.6808 44.9446 0.0000 175.0199 32 I 3.1737 7.2038 121.3893 62.3299 37.6825 177.7721 33 G 3.9407 7.9839 105.3689 45.4794 0.0000 173.1427 34 N 4.7412 7.4203 114.3179 51.9590 37.5837 175.9691 35 G 3.9408 8.1650 105.7955 46.0001 0.0000 174.0383 36 L 4.6485 8.1636 120.2882 54.1663 42.6996 177.6129 37 T 4.3650 9.8541 114.4840 60.8876 71.0065 174.0043 38 P 3.3156 0.0000 0.0000 65.6804 31.1056 178.8660 39 T 4.0532 7.7387 107.7907 64.2929 69.1382 176.7068 40 Q 4.0193 7.9099 120.5961 58.7244 28.7393 178.9466 41 W 4.2944 8.8051 129.2615 60.4121 30.7783 177.7450 42 A 3.8549 8.1128 120.5585 55.1493 17.8283 179.4548 43 A 3.8875 8.1812 119.3777 55.0233 18.4273 179.6281 44 L 3.7104 7.5606 118.5482 58.1616 42.3162 179.0920 45 V 3.2057 7.2549 118.3676 66.1072 31.2868 177.8357 46 R 3.8330 7.8597 118.0663 59.3927 29.8027 178.2809 47 L 4.0182 7.9326 118.8680 57.7307 41.3977 179.4517 48 G 3.7381 7.7104 104.3847 48.1035 0.0000 175.1973 49 E 4.1024 7.7177 119.5725 59.1135 29.6119 178.9416 50 T 4.2039 8.1541 108.5080 62.9098 69.8538 175.8096 51 G 3.7568 8.2773 108.6794 43.3241 0.0000 170.3513 52 P 4.5880 0.0000 0.0000 63.5691 31.8151 175.8680 53 C 4.7573 9.0309 123.4452 56.9888 35.6047 171.3185 54 P 4.6136 0.0000 0.0000 63.1808 31.9084 176.3902 55 Q 3.8998 8.7958 125.6580 60.0783 28.8550 179.5191 56 N 4.3984 8.0815 116.4444 56.1319 38.7715 177.1455 57 Q 3.9217 8.0309 120.7775 59.0135 28.9688 177.8781 58 L 4.0586 8.0085 120.9891 57.9136 42.3805 178.8751 59 G 3.7771 8.0245 105.6218 48.0823 0.0000 175.8859 60 R 4.0417 8.1108 119.1141 57.8157 30.1262 178.0372 61 L 4.5560 7.4468 116.8430 54.9082 41.9233 176.8148 62 T 4.4304 7.5633 108.8115 60.5222 69.4855 172.2178 63 A 3.4358 8.0433 125.2457 53.3146 15.2745 177.4928 *65 D 4.4325 7.8846 118.8815 53.9176 43.7154 175.9022 66 A 4.0824 8.4084 122.5705 55.5953 18.2370 180.1277 67 A 3.9320 7.8899 118.5048 55.6698 18.3166 179.8616 68 T 3.8273 7.8054 113.8342 66.8061 68.7148 176.6666 69 I 3.8503 8.1458 120.8192 63.4594 37.8956 177.8048 70 K 4.5463 7.4786 122.1816 59.0552 32.0294 179.0789 71 G 3.5851 7.9246 105.7674 47.7783 0.0000 176.0614 72 V 3.7502 7.5571 113.1799 63.8058 31.5164 178.8197 73 V 3.6493 7.7808 118.1849 65.6328 31.3382 177.1394 74 E 3.8962 8.3708 119.2077 59.9622 29.1634 179.2394 75 R 3.9636 8.0781 117.1582 59.1569 30.4719 178.9541 76 L 4.1589 8.0605 118.8503 57.9253 41.2699 179.1011 77 D 4.3963 8.5391 118.2514 56.8323 40.9387 177.7641 78 K 4.1785 8.1700 118.9393 58.1019 32.2829 177.6663 79 R 4.5750 7.9032 115.8961 55.5890 31.4154 176.8005 80 G 3.9545 7.5959 105.5518 45.4791 0.0000 174.3080 81 L 4.5398 7.7355 120.2089 55.8869 42.8405 176.3219 82 I 5.2899 7.6836 110.7664 59.0515 41.1242 174.5688 83 Q 4.7251 9.3259 120.5225 54.5108 31.8414 174.2005 84 R 5.2657 8.5566 120.0738 54.7345 32.5080 175.5229 85 S 4.7452 8.8811 116.3210 56.4139 66.8924 173.3198 86 A 4.2368 8.6828 123.6212 52.5350 19.1256 176.7269 87 D 4.3555 8.9610 122.7986 53.6105 41.5916 175.5723 88 P 4.2759 0.0000 0.0000 65.2097 31.5316 176.7814 89 D 4.6650 8.1076 115.5200 53.3279 41.1972 175.9936 90 D 4.4747 7.7420 114.5910 53.4297 43.3859 176.6509 91 G 3.7267 8.8209 116.3159 48.1315 0.0000 173.2776 92 R 4.0239 7.7196 117.5117 58.5861 30.4768 177.1187 93 R 4.5103 8.0336 116.8595 54.9632 32.4630 175.4736 94 L 4.9276 8.2030 122.7406 53.2677 44.9712 175.3469 95 L 4.6375 8.9327 127.3270 54.4316 43.3902 176.0098 96 V 4.9190 9.0639 123.2866 61.4104 34.0003 174.6642 97 S 5.0361 8.9511 122.3432 56.4405 67.7142 173.3446 98 L 4.5423 8.4300 122.1863 54.8973 42.0685 177.5168 99 S 4.3158 8.7174 119.4360 57.7634 64.0085 173.5118 100 P 4.1102 0.0000 0.0000 66.0662 30.8794 178.5524 101 A 4.0802 8.0961 118.7682 55.3220 18.3831 179.6141 102 G 3.5113 8.0827 103.2918 47.9747 0.0000 175.3975 103 R 3.8646 8.8154 121.7219 59.2317 29.8559 178.4229 104 A 4.1619 7.8374 119.2669 54.8586 18.9471 179.1066 105 E 4.1187 9.1719 118.4392 59.2093 29.4132 179.2764 106 L 4.0692 8.2559 123.0607 58.2667 43.3358 177.7818 107 E 4.6481 7.4831 114.8666 54.4852 27.1770 177.8408 *109 G 4.6294 7.0486 111.7348 45.6471 0.0000 172.8853 110 L 4.4391 8.7363 119.5910 56.7296 42.0027 179.7664 111 A 3.9608 8.0081 120.3313 55.0706 18.4319 179.2709 112 A 3.7879 7.8793 118.5957 55.1447 18.4434 179.4110 113 A 3.6905 7.3164 117.9480 55.4925 18.4606 180.1757 114 R 3.9685 7.9989 116.4311 59.1480 30.0727 178.9604 115 E 3.8957 8.2117 119.2771 59.2061 29.7894 178.6252 116 I 3.5685 8.1856 120.4843 64.6530 37.2687 178.0617 117 N 4.6843 8.3262 117.6737 55.6692 37.2708 177.4618 118 R 4.0461 8.1827 118.4152 58.9740 29.3345 178.9420 119 Q 3.9718 7.9497 118.2923 58.7832 28.7890 177.9866 120 A 4.1917 7.8809 120.5336 54.4167 18.7188 178.6540 121 L 4.4548 7.7588 114.5718 54.7917 42.0065 178.2752 122 A 3.9942 7.4551 121.8369 54.7455 18.3586 177.1760 123 P 4.2981 0.0000 0.0000 64.5389 31.7003 176.1968 124 L 4.8723 7.6728 117.7416 52.6866 43.9358 176.9353 125 S 4.5206 8.3243 116.9311 57.3460 65.5137 175.3671 126 L 3.9562 8.4125 121.3923 58.4564 41.2745 179.9612 127 Q 4.2621 8.0402 116.5512 58.3710 28.6808 178.1105 128 E 4.1143 7.5806 120.2095 59.0621 29.6463 178.9145 129 Q 4.0167 8.4422 118.4431 58.4269 28.5235 178.1890 130 E 3.8887 8.2366 120.6373 59.7009 29.7774 179.0335 131 T 3.8788 7.6988 115.2859 66.3984 68.5070 176.5011 132 L 3.9107 8.0782 122.2833 58.2867 42.3068 178.8123 133 R 4.0469 7.8658 118.3832 59.4269 29.6217 178.7468 134 G 3.5259 7.6088 104.5193 47.7511 0.0000 175.4395 135 L 4.1555 7.9291 122.1127 57.3904 41.5985 179.6542 136 L 3.9677 8.3661 119.0280 57.8023 41.5555 179.3152 137 A 3.9731 7.9159 120.3662 55.3361 18.0811 179.4857 138 R 4.1515 7.6225 113.7527 57.7917 30.1351 177.3296 139 L 4.6371 7.5603 117.7247 54.1238 42.5144 176.5529 140 I 3.8450 7.5061 125.2945 61.8729 36.9988 175.7145 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 8 R 8.11 4.33 0.00 1.75 1.90 0.00 3.23 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.31 3.79 0.00 1.62 1.49 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.96 4.86 0.00 2.77 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 11 D 7.87 4.82 0.00 2.81 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 Q 7.99 4.21 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 13 I 8.55 3.78 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 1.58 1.17 0.93 0.00 0.00 14 G 8.12 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 15 F 8.20 4.37 0.00 3.07 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 16 I 8.01 3.51 1.87 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 1.51 0.85 0.87 0.00 0.00 17 L 8.41 3.99 0.00 1.80 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.98 3.90 0.00 1.92 2.04 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 19 Q 7.88 3.88 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.94 1.67 0.00 20 A 7.96 3.94 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 21 N 8.14 4.26 0.00 3.01 2.92 0.00 0.00 7.27 6.69 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 22 Q 8.51 4.01 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 23 R 8.29 3.87 0.00 1.90 2.21 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 24 Y 8.31 3.97 0.00 3.18 3.12 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 25 A 8.59 3.97 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 26 A 7.98 3.95 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 27 L 7.70 3.92 0.00 1.65 1.57 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.07 3.56 0.00 2.68 2.98 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 29 A 7.94 4.01 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 30 N 7.49 4.61 0.00 2.83 2.75 0.00 0.00 6.97 7.86 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 31 G 7.30 3.80 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 0.00 32 I 7.20 3.17 0.56 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.84 0.70 0.00 0.00 33 G 7.98 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 34 N 7.42 4.74 0.00 3.11 2.88 0.00 0.00 6.93 6.88 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 35 G 8.17 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 36 L 8.16 4.65 0.00 1.98 1.86 1.20 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 T 9.85 4.37 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 1.28 0.00 0.00 38 P 0.00 3.32 0.00 1.98 1.66 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 39 T 7.74 4.05 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 1.19 0.00 0.00 40 Q 7.91 4.02 0.00 2.50 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 41 W 8.81 4.29 0.00 3.69 3.48 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 42 A 8.11 3.85 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 43 A 8.18 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.56 3.71 0.00 1.76 1.41 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.25 3.21 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 0.81 0.00 0.00 0.04 0.00 0.00 46 R 7.86 3.83 0.00 1.98 1.85 0.00 3.17 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 1.59 1.68 0.00 47 L 7.93 4.02 0.00 1.84 1.66 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.71 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 0.00 0.00 0.00 49 E 7.72 4.10 0.00 2.16 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 2.27 0.00 50 T 8.15 4.20 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 1.22 0.00 0.00 51 G 8.28 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 52 P 0.00 4.59 0.00 1.93 2.01 0.00 3.65 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 2.02 2.09 0.00 53 C 9.03 4.76 0.00 3.11 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 54 P 0.00 4.61 0.00 2.10 1.96 0.00 3.67 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 2.25 2.09 0.00 55 Q 8.80 3.90 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 56 N 8.08 4.40 0.00 2.77 2.84 0.00 0.00 6.62 8.16 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 57 Q 8.03 3.92 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 L 8.01 4.06 0.00 1.63 1.88 0.88 1.36 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 59 G 8.02 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 0.00 0.00 0.00 60 R 8.11 4.04 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 61 L 7.45 4.56 0.00 1.80 1.68 0.90 0.59 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 62 T 7.56 4.43 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 1.24 0.00 0.00 63 A 8.04 3.44 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 *65 D 7.88 4.43 0.00 2.84 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 66 A 8.41 4.08 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 67 A 7.89 3.93 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 68 T 7.81 3.83 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 69 I 8.15 3.85 2.03 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 1.40 1.73 1.00 0.00 0.00 70 K 7.48 4.55 0.00 2.08 2.03 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.32 7.81 71 G 7.92 3.59 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 0.00 72 V 7.56 3.75 2.10 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 0.91 0.00 0.00 1.01 0.00 0.00 73 V 7.78 3.65 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 1.07 0.00 0.00 0.98 0.00 0.00 74 E 8.37 3.90 0.00 2.30 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 2.32 2.43 0.00 75 R 8.08 3.96 0.00 1.91 2.01 0.00 3.29 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 76 L 8.06 4.16 0.00 1.91 1.72 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.54 4.40 0.00 2.82 2.71 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 78 K 8.17 4.18 0.00 1.94 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 79 R 7.90 4.57 0.00 2.00 1.95 0.00 3.28 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 80 G 7.60 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 0.00 0.00 0.00 81 L 7.74 4.54 0.00 1.64 1.74 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.68 5.29 1.95 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 1.40 0.59 0.90 0.00 0.00 83 Q 9.33 4.73 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 84 R 8.56 5.27 0.00 1.69 1.86 0.00 3.20 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 85 S 8.88 4.75 0.00 3.85 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 86 A 8.68 4.24 1.25 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 0.00 0.00 0.00 87 D 8.96 4.36 0.00 2.80 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 88 P 0.00 4.28 0.00 2.07 2.10 0.00 3.70 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 2.02 2.11 0.00 89 D 8.11 4.66 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 90 D 7.74 4.47 0.00 2.65 2.50 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 91 G 8.82 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 92 R 7.72 4.02 0.00 1.95 2.01 0.00 3.15 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 93 R 8.03 4.51 0.00 1.88 1.82 0.00 3.22 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 94 L 8.20 4.93 0.00 1.72 1.48 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.93 4.64 0.00 1.87 1.55 0.96 0.82 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 96 V 9.06 4.92 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 0.96 0.00 0.00 0.92 0.00 0.00 97 S 8.95 5.04 0.00 3.73 3.65 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 98 L 8.43 4.54 0.00 1.48 1.59 0.92 0.83 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 99 S 8.72 4.32 0.00 3.91 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 0.00 100 P 0.00 4.11 0.00 2.15 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 101 A 8.10 4.08 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 0.00 102 G 8.08 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.82 3.86 0.00 2.08 2.10 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 104 A 7.84 4.16 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 0.00 105 E 9.17 4.12 0.00 2.10 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 0.00 2.38 2.51 0.00 106 L 8.26 4.07 0.00 1.84 1.86 0.39 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.48 4.65 0.00 2.07 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 2.25 2.12 0.00 *109 G 7.05 4.63 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 0.00 0.00 0.00 110 L 8.74 4.44 0.00 1.83 1.90 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.01 3.96 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 0.00 112 A 7.88 3.79 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 0.00 113 A 7.32 3.69 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 0.00 114 R 8.00 3.97 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 115 E 8.21 3.90 0.00 2.05 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 2.25 2.51 0.00 116 I 8.19 3.57 1.96 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.79 0.00 0.00 117 N 8.33 4.68 0.00 3.21 3.39 0.00 0.00 6.83 7.69 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 0.00 118 R 8.18 4.05 0.00 2.09 2.25 0.00 2.77 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 119 Q 7.95 3.97 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 120 A 7.88 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.76 4.45 0.00 1.73 1.71 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.46 3.99 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 0.00 123 P 0.00 4.30 0.00 2.06 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 124 L 7.67 4.87 0.00 1.81 1.56 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.32 4.52 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.41 3.96 0.00 1.71 1.78 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.04 4.26 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 128 E 7.58 4.11 0.00 2.42 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 2.34 0.00 129 Q 8.44 4.02 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 130 E 8.24 3.89 0.00 2.15 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 2.31 2.36 0.00 131 T 7.70 3.88 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 0.00 132 L 8.08 3.91 0.00 1.83 1.70 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.87 4.05 0.00 2.09 1.92 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 134 G 7.61 3.53 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 0.00 0.00 0.00 135 L 7.93 4.16 0.00 1.91 1.72 0.92 0.50 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 0.00 136 L 8.37 3.97 0.00 1.82 1.69 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.92 3.97 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 0.00 138 R 7.62 4.15 0.00 1.94 2.00 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 139 L 7.56 4.64 0.00 1.69 1.64 0.91 1.05 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 0.00 140 I 7.51 3.84 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.