NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3313 8.1693 122.4945 54.5405 43.9340 176.0153 4 T 4.3461 7.5095 107.1290 58.4710 70.8728 172.7076 5 S 4.1584 8.1102 118.5615 58.1179 65.6799 174.8664 6 D 4.4808 6.8904 117.6279 52.7788 40.8041 176.4923 7 F 4.0467 7.3693 118.6268 60.3504 39.3885 176.5276 8 D 4.7316 7.9741 117.7518 54.1670 41.2777 175.6800 9 N 4.5664 8.3806 120.7687 52.4961 39.1440 173.8674 10 P 4.4650 0.0000 0.0000 66.1400 31.2533 178.5683 11 R 3.9806 8.6191 117.9793 58.4646 30.0145 178.7566 12 W 4.1096 8.2700 128.5215 60.5396 30.8462 178.1314 13 I 3.8675 8.2332 119.5169 64.5201 36.6103 178.5785 14 G 3.6113 8.4689 106.6675 47.3980 0.0000 175.9064 15 R 3.8039 7.5098 119.8393 59.8108 30.2133 178.1809 16 H 4.1617 7.4605 114.2588 58.3473 28.7879 177.4375 17 K 3.7802 8.2810 121.8693 59.1769 31.7748 178.1824 18 H 4.0824 8.1158 115.5902 57.5079 29.8674 176.0410 *20 F 4.2772 7.9020 122.2440 58.1153 40.8176 176.8461 21 N 4.3159 8.3818 116.6108 56.1675 38.6094 176.4856 22 F 4.3282 8.3899 119.9075 61.1655 39.5562 176.5136 23 L 3.6015 7.7457 118.6707 57.0008 42.1410 177.3217 24 D 4.3581 7.3588 121.3451 52.2102 39.4396 176.9109 25 V 3.4181 7.3636 121.4251 64.2353 31.9582 177.6737 26 N 4.6008 7.9764 114.9503 52.1962 38.7881 174.1542 27 H 4.1779 8.0234 116.8784 57.4314 28.5598 175.2786 28 N 4.3168 8.2172 115.5623 54.4102 38.7993 177.1565 29 G 4.0872 10.9621 106.9948 44.8558 0.0000 172.5474 30 K 5.0609 7.2379 116.0057 55.8600 35.2202 174.8525 31 I 4.9158 8.7153 114.8424 59.2908 41.4868 174.1553 32 S 5.1743 8.6838 117.8848 55.4349 65.6211 174.8715 33 L 3.8172 8.5287 122.5769 58.2126 42.3656 177.9512 34 D 4.8313 7.8106 116.2319 57.7291 41.0529 178.6976 35 E 4.0456 7.8751 117.1046 56.8293 29.2201 179.2470 *37 V 4.0961 7.8572 114.5456 61.6730 33.9054 177.4304 38 Y 3.8148 8.1175 120.4349 60.5438 38.5969 177.9047 39 K 3.9651 8.3785 120.1943 59.6322 32.4110 178.4215 40 A 4.2224 8.0841 120.2981 55.6024 18.3264 179.6903 41 S 4.1847 8.0513 113.2364 61.3586 62.7845 176.3209 42 D 4.1989 8.2055 121.1864 57.3877 40.9817 178.2455 43 I 3.9120 7.7796 120.0963 64.8729 37.1789 178.9635 44 V 3.7734 7.8529 112.7086 64.1766 31.1570 178.9849 45 I 3.7482 7.9109 119.2127 64.4271 37.2636 177.2010 46 N 4.6356 8.2974 115.0868 54.4306 38.9953 175.8251 47 N 4.8590 8.2532 114.1159 53.4344 40.6483 175.3823 48 L 4.5838 7.9154 114.5941 54.0093 42.4430 176.5583 49 G 3.8496 8.3981 105.4424 46.0724 0.0000 174.0119 50 A 4.2497 8.0126 122.6542 51.7520 18.9235 179.3790 51 T 4.1531 8.9514 113.3934 60.8814 70.8465 174.0951 52 P 4.2374 0.0000 0.0000 65.8782 31.3805 178.8987 53 E 3.9977 8.1276 116.8133 59.4775 29.4914 179.1920 54 Q 4.0487 8.2328 117.8713 58.9284 28.7012 178.8205 55 A 4.0734 8.3291 121.9516 55.2129 18.4770 179.8638 56 K 3.9398 8.1158 117.0669 59.5494 32.2239 179.5891 57 R 3.9452 8.1950 119.0726 59.7139 30.0138 178.1302 58 H 4.3043 8.4850 118.1439 59.0401 29.7887 177.2218 59 K 3.9656 8.4662 121.8711 59.5531 32.0530 178.5889 60 D 4.3469 8.2869 119.0292 57.2841 40.7379 178.6571 61 A 3.9820 7.8819 120.9659 55.0901 18.4065 179.9198 62 V 2.7408 7.4432 116.7926 65.6747 31.5397 177.7297 63 E 3.9068 8.4240 119.2197 59.4505 29.4475 178.8100 64 A 3.9821 8.0433 120.6844 54.7688 18.1666 179.4381 65 F 3.8426 7.9175 118.4942 61.6404 39.9445 177.2851 66 F 4.2506 8.2771 117.4931 60.2043 38.6583 177.8755 67 G 3.7173 8.3151 105.7952 47.8203 0.0000 175.9084 68 G 3.4152 7.6574 106.5186 46.5378 0.0000 174.5855 69 A 4.3111 7.2125 121.7559 50.8592 19.9600 175.8815 70 G 3.8186 7.4303 108.2482 46.6271 0.0000 173.5129 *72 K 3.9035 7.5540 121.0470 56.1513 33.7944 175.4030 73 Y 4.3591 7.9688 119.3671 59.6997 38.1883 177.1389 74 G 3.9836 9.6088 112.4843 45.3475 0.0000 173.1033 75 V 4.4562 7.4945 119.9391 60.9052 34.4632 173.9988 76 E 4.7992 8.8126 126.8549 55.4308 31.0572 175.3244 77 T 4.6730 9.0852 122.6049 61.9593 70.7670 174.9331 78 D 5.3122 8.5605 125.9916 51.1541 41.7399 177.0780 79 W 3.4408 8.6523 127.3472 60.1237 30.4165 175.6939 80 P 3.7226 0.0000 0.0000 65.6176 30.7557 178.4675 81 A 3.9520 8.1612 119.2508 54.8950 18.2308 179.2006 82 Y 3.9471 7.9074 118.3386 61.0246 39.0599 178.0133 83 I 3.3538 7.2538 119.7692 63.6639 37.4553 177.6923 84 E 3.9033 7.7348 119.6129 59.2991 29.2455 179.5479 85 G 4.0217 7.9206 106.9899 47.0136 0.0000 175.8041 86 W 3.5360 7.9436 121.0611 59.1568 29.0991 178.7311 87 K 3.1152 7.9185 118.6952 58.9534 31.2622 179.5481 88 K 3.8798 7.5077 117.5326 59.1471 31.9045 178.9484 89 L 3.5446 7.6529 120.4156 58.1005 41.8305 178.8456 90 A 3.3819 7.9969 120.4466 55.3144 18.3767 179.6414 91 T 3.8176 7.8585 113.7216 66.9922 68.5690 176.5387 92 D 4.3186 8.1226 120.7181 57.3752 40.7244 178.8091 93 E 3.9453 8.2156 119.3194 59.4745 29.4941 179.4814 94 L 4.0934 7.9742 119.0730 57.5349 41.4751 179.2787 95 E 3.9160 8.2371 119.4436 59.1476 29.5524 178.8201 96 K 3.9489 8.1371 118.5624 59.8933 32.3225 178.6221 97 Y 3.9878 8.4591 119.6105 60.6870 38.4792 177.9355 98 A 4.1514 8.0300 120.5094 54.0235 18.6018 178.6481 99 K 4.2545 7.4134 114.9747 55.2673 32.7459 176.0340 100 N 4.0596 7.6813 115.2559 54.5361 36.4676 173.8579 101 E 4.7082 8.0785 116.3569 53.4875 31.9924 174.8762 102 P 4.3094 0.0000 0.0000 63.4014 32.1013 177.0428 103 T 4.5123 8.4121 113.1541 60.8507 71.6643 175.9316 104 L 4.1445 9.2916 122.4464 58.0551 41.6107 179.8213 105 I 4.0375 8.5593 118.7629 63.8697 37.8283 178.0362 106 R 3.9123 8.1351 119.4742 59.4132 30.0364 178.4923 107 I 3.7588 8.0123 119.6876 64.0751 37.1015 178.2617 108 W 4.4293 8.5874 129.3302 60.4395 30.6274 177.9988 109 G 3.4302 8.1444 105.7321 48.0351 0.0000 175.1862 110 D 4.3361 8.3557 121.6182 56.9953 40.5536 178.8966 111 A 4.1227 8.0873 121.0974 55.0346 18.4165 179.5165 112 L 3.9422 8.8000 119.2963 58.4511 42.1993 179.2512 113 F 4.2688 9.0641 118.1248 60.4389 38.5382 177.1176 114 D 4.4063 8.0747 117.0296 57.1276 41.0042 178.0477 115 I 3.9920 7.1260 119.4643 64.0962 37.4103 177.9734 116 V 4.0575 7.7119 117.7383 64.1671 31.8547 175.2796 117 D 4.6603 8.0865 119.4754 52.6785 40.2814 176.2398 118 K 3.8629 8.6323 129.5551 59.2278 32.1862 177.1736 119 D 4.6099 8.6732 116.3949 53.6822 41.4012 175.9531 120 Q 3.4599 7.8301 117.6073 57.6812 26.8157 173.8246 121 N 4.9533 8.8809 110.0929 53.0044 39.8190 175.4123 122 G 4.0098 9.4720 104.8446 45.9687 0.0000 173.2490 123 A 5.3440 8.1094 118.6376 50.3209 22.2079 176.5676 124 I 4.8101 8.4346 114.2078 58.9929 41.1180 175.4039 125 T 4.5085 8.8372 114.4618 61.1987 69.9767 175.2682 126 L 3.1608 8.4021 123.5174 58.2660 41.8794 178.8718 127 D 4.2971 7.9146 118.2554 57.3915 40.8085 178.4880 128 E 4.0165 8.1523 118.9140 59.0169 29.4035 179.1129 129 W 4.5561 8.3722 128.4818 60.4909 30.7748 178.0789 130 K 3.6991 8.4457 118.5209 59.3366 31.5231 179.0451 131 A 3.9212 8.0117 120.8481 55.2775 18.2335 179.0310 132 Y 3.9777 8.0425 118.0885 61.1996 38.8992 178.4201 133 T 3.1851 7.5312 110.6937 64.3084 68.5715 176.7556 134 K 4.0766 7.8266 121.8291 58.3334 32.1102 178.8537 135 A 4.0688 7.4441 119.6172 55.2144 18.4314 179.2601 136 A 4.0825 7.5323 118.2247 53.4967 18.5243 178.9055 137 G 4.0382 8.1202 104.3944 45.2063 0.0000 174.2965 138 I 3.0957 7.4686 119.2485 62.6478 38.1979 175.9193 139 I 4.5667 7.3913 120.2073 59.5004 39.9417 175.7574 140 Q 4.2722 8.7326 122.8144 56.2888 30.6298 176.5102 141 S 4.8132 7.5241 112.2153 56.5275 66.4704 175.2217 142 S 4.0986 8.4812 119.9679 61.7605 62.5836 176.6225 143 E 4.0830 8.1035 121.6022 59.4050 29.1969 178.5203 144 D 4.3887 7.8575 117.9022 57.5383 40.7834 178.1108 145 C 4.4515 8.0280 116.9452 63.0075 28.0916 176.0822 146 E 3.9973 8.4805 120.2913 59.2752 29.0419 178.9884 147 E 4.0070 8.0653 119.1542 59.2006 29.5737 178.7840 148 T 4.1116 7.6133 116.9550 66.1706 68.3840 176.4462 149 F 3.8297 8.3108 117.1601 59.9048 39.0218 177.4147 150 R 4.0236 7.5690 117.8570 59.3320 29.9801 178.3682 151 V 3.6560 7.5734 116.9549 65.1317 31.9565 176.5081 152 C 4.2067 7.2338 114.9896 59.2589 28.5011 173.2159 153 D 4.3903 8.7651 123.5598 54.2755 40.2385 176.3013 154 I 4.1123 7.9009 125.5147 59.5886 38.9363 175.8226 155 D 4.7058 8.5701 123.9729 52.2972 40.8117 176.9772 156 E 4.0146 8.6436 117.8141 58.7421 29.4327 178.0888 157 S 4.5096 8.3176 111.6699 57.6735 63.3704 174.5666 158 G 3.9232 8.2498 108.2924 46.3540 0.0000 173.4533 159 Q 4.9454 8.3944 118.1685 53.8180 32.2606 174.5529 160 L 4.5681 8.6481 124.5277 53.6424 43.1529 175.3357 161 D 5.3994 8.4319 126.4267 51.9507 40.8191 177.1241 162 V 3.2032 8.5112 120.1676 64.7920 31.8800 177.4296 163 D 4.4782 8.5414 120.1244 57.4349 40.8747 179.5082 164 E 4.2020 8.3632 117.5529 56.8897 29.1696 178.5557 *166 T 4.2943 8.0727 115.4548 63.1974 70.4337 176.6144 167 R 3.8307 7.7152 119.7274 59.2397 29.9147 179.2534 168 Q 3.9269 7.9982 117.8949 59.1623 28.7368 178.1048 169 H 4.3032 8.0688 116.7396 58.9929 28.8309 177.5106 170 L 4.0660 8.0548 120.7281 57.9281 40.3780 179.9548 171 G 3.9656 7.8618 105.4705 48.3036 0.0000 175.6217 172 F 4.1968 8.0809 122.0702 60.6256 39.6689 177.1133 173 W 4.8273 8.4710 116.9100 58.1947 29.3109 176.7999 174 Y 5.3964 8.1350 115.3106 58.7893 38.9045 175.2805 175 T 4.1898 7.0410 107.0098 62.2614 72.0325 172.5577 *177 D 4.5976 7.8033 117.3167 52.4048 42.5630 174.9187 178 P 4.3023 0.0000 0.0000 65.3745 31.5539 178.1866 179 A 4.0954 8.4426 120.0661 54.1712 18.6885 177.6872 180 C 4.7154 8.0746 112.7481 59.2331 28.7278 173.7403 181 E 4.2727 7.6358 120.2278 57.8224 29.6048 176.8735 182 K 3.9453 8.9856 119.0928 57.2667 29.6930 177.6323 183 L 3.5770 7.0889 122.8024 57.7876 42.1521 178.0540 184 Y 4.4382 7.4539 114.5335 57.1221 39.0196 176.5858 185 G 3.8830 7.9123 109.0158 46.3895 0.0000 175.6369 186 G 3.7719 9.0245 109.9460 46.4972 0.0000 174.2340 187 A 4.0661 7.9252 123.1662 54.1331 18.5668 178.2686 188 V 4.0467 7.4929 114.7265 59.9621 33.9160 173.3356 189 P 4.4455 0.0000 0.0000 63.1120 31.1256 176.0549 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 3 L 8.17 4.33 0.00 1.65 1.77 1.12 0.68 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 4 T 7.51 4.35 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 1.16 0.00 0.00 5 S 8.11 4.16 0.00 2.72 3.36 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 6 D 6.89 4.48 0.00 2.53 2.44 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 7 F 7.37 4.05 0.00 2.88 2.81 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 8 D 7.97 4.73 0.00 2.70 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 9 N 8.38 4.57 0.00 2.96 2.99 0.00 0.00 6.90 7.30 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 10 P 0.00 4.46 0.00 2.36 2.38 0.00 3.82 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 11 R 8.62 3.98 0.00 2.07 2.05 0.00 3.15 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 12 W 8.27 4.11 0.00 3.55 3.55 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 13 I 8.23 3.87 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.23 1.26 0.00 0.00 14 G 8.47 3.61 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 0.00 0.00 0.00 15 R 7.51 3.80 0.00 1.81 1.80 0.00 2.73 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 1.48 1.43 0.00 16 H 7.46 4.16 0.00 2.84 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.28 3.78 0.00 1.42 1.45 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.21 7.81 18 H 8.12 4.08 0.00 3.38 3.53 0.00 5.86 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 F 7.90 4.28 0.00 3.13 3.14 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 21 N 8.38 4.32 0.00 2.83 2.82 0.00 0.00 7.06 8.20 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 22 F 8.39 4.33 0.00 2.83 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 23 L 7.75 3.60 0.00 1.42 1.47 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.36 4.36 0.00 2.10 2.25 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 25 V 7.36 3.42 1.85 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 0.65 0.00 0.00 0.81 0.00 0.00 26 N 7.98 4.60 0.00 2.65 2.81 0.00 0.00 6.91 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 27 H 8.02 4.18 0.00 3.14 3.29 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.22 4.32 0.00 2.93 2.81 0.00 0.00 7.31 7.65 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 29 G 10.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.24 5.06 0.00 1.86 1.84 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.59 7.81 31 I 8.72 4.92 1.66 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.07 0.49 0.00 0.00 32 S 8.68 5.17 0.00 4.03 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 0.00 33 L 8.53 3.82 0.00 1.37 1.36 0.82 0.36 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 34 D 7.81 4.83 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.88 4.05 0.00 2.12 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 2.23 2.22 0.00 *37 V 7.86 4.10 2.19 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 0.98 0.00 0.00 1.27 0.00 0.00 38 Y 8.12 3.81 0.00 3.30 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 39 K 8.38 3.97 0.00 2.01 1.87 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 40 A 8.08 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.05 4.18 0.00 3.79 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 42 D 8.21 4.20 0.00 2.68 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 43 I 7.78 3.91 2.19 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 1.06 0.00 0.00 44 V 7.85 3.77 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 0.70 0.00 0.00 1.01 0.00 0.00 45 I 7.91 3.75 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.53 0.90 0.00 0.00 46 N 8.30 4.64 0.00 2.99 2.88 0.00 0.00 6.97 8.71 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 47 N 8.25 4.86 0.00 2.91 2.84 0.00 0.00 6.81 7.15 0.00 0.00 0.00 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0.00 0.00 0.00 56 K 8.12 3.94 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 57 R 8.20 3.95 0.00 2.02 2.16 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 58 H 8.48 4.30 0.00 3.43 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.47 3.97 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 60 D 8.29 4.35 0.00 2.94 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 61 A 7.88 3.98 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 62 V 7.44 2.74 1.88 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 1.04 0.00 0.00 0.17 0.00 0.00 63 E 8.42 3.91 0.00 2.20 2.21 0.00 0.00 0.00 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 2.32 0.00 64 A 8.04 3.98 1.40 0.00 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0.00 0.00 0.00 82 Y 7.91 3.95 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.25 3.35 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.24 0.00 0.00 84 E 7.73 3.90 0.00 2.02 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 2.22 2.27 0.00 85 G 7.92 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 86 W 7.94 3.54 0.00 3.28 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 87 K 7.92 3.12 0.00 1.70 1.24 0.00 1.48 0.00 0.00 1.38 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 1.49 7.81 88 K 7.51 3.88 0.00 1.80 1.72 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 89 L 7.65 3.54 0.00 1.19 1.02 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.00 3.38 1.81 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 91 T 7.86 3.82 4.40 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 1.22 0.00 0.00 92 D 8.12 4.32 0.00 2.71 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 93 E 8.22 3.95 0.00 1.39 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 2.21 2.08 0.00 94 L 7.97 4.09 0.00 1.68 1.75 0.92 0.79 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 95 E 8.24 3.92 0.00 2.11 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 0.00 2.31 2.35 0.00 96 K 8.14 3.95 0.00 2.09 2.09 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.62 7.81 97 Y 8.46 3.99 0.00 3.26 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 98 A 8.03 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.68 1.75 0.00 107 I 8.01 3.76 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 0.98 0.00 0.00 108 W 8.59 4.43 0.00 3.42 3.23 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 0.00 109 G 8.14 3.43 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 0.00 110 D 8.36 4.34 0.00 2.88 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 0.00 111 A 8.09 4.12 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 0.00 112 L 8.80 3.94 0.00 1.87 1.72 0.78 0.19 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 0.00 113 F 9.06 4.27 0.00 3.10 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 0.00 114 D 8.07 4.41 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 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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 0.00 0.00 0.00 0.00 124 I 8.43 4.81 1.73 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 1.00 1.18 0.01 0.00 0.00 125 T 8.84 4.51 4.23 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 1.22 0.00 0.00 126 L 8.40 3.16 0.00 0.59 1.32 0.39 0.95 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 0.00 127 D 7.91 4.30 0.00 2.69 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 0.00 128 E 8.15 4.02 0.00 2.23 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 2.37 2.31 0.00 129 W 8.37 4.56 0.00 3.49 3.23 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 0.00 130 K 8.45 3.70 0.00 1.96 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.59 7.81 131 A 8.01 3.92 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 0.00 132 Y 8.04 3.98 0.00 3.18 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 0.00 133 T 7.53 3.19 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 -0.28 0.00 0.00 134 K 7.83 4.08 0.00 1.76 1.83 0.00 1.60 0.00 0.00 1.50 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.27 7.81 135 A 7.44 4.07 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 0.00 136 A 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.12 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 0.00 138 I 7.47 3.10 1.82 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 1.29 0.55 0.91 0.00 0.00 139 I 7.39 4.57 1.69 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 1.58 0.89 0.88 0.00 0.00 140 Q 8.73 4.27 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 141 S 7.52 4.81 0.00 4.01 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 0.00 142 S 8.48 4.10 0.00 3.86 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 0.00 143 E 8.10 4.08 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 144 D 7.86 4.39 0.00 2.86 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 0.00 145 C 8.03 4.45 0.00 3.17 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 8.48 4.00 0.00 2.19 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 2.27 2.35 0.00 147 E 8.07 4.01 0.00 2.03 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 2.50 2.34 0.00 148 T 7.61 4.11 4.58 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 0.64 0.00 0.00 149 F 8.31 3.83 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 150 R 7.57 4.02 0.00 1.81 2.10 0.00 3.25 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 1.62 0.00 151 V 7.57 3.66 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 0.77 0.00 0.00 1.00 0.00 0.00 152 C 7.23 4.21 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 0.00 153 D 8.77 4.39 0.00 2.70 2.56 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 0.00 154 I 7.90 4.11 1.81 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.97 0.00 0.00 155 D 8.57 4.71 0.00 2.85 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 0.00 156 E 8.64 4.01 0.00 1.96 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 0.00 2.31 2.35 0.00 157 S 8.32 4.51 0.00 3.97 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 0.00 158 G 8.25 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 0.00 159 Q 8.39 4.95 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 160 L 8.65 4.57 0.00 0.62 1.22 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.43 5.40 0.00 2.82 2.62 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 0.00 162 V 8.51 3.20 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 0.64 0.00 0.00 0.40 0.00 0.00 163 D 8.54 4.48 0.00 3.08 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 0.00 164 E 8.36 4.20 0.00 2.01 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 2.13 0.00 *166 T 8.07 4.29 4.40 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 1.31 0.00 0.00 167 R 7.72 3.83 0.00 1.97 1.94 0.00 3.17 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 1.72 1.88 0.00 168 Q 8.00 3.93 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 169 H 8.07 4.30 0.00 3.36 3.52 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.05 4.07 0.00 1.72 1.73 -0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 171 G 7.86 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 0.00 0.00 0.00 172 F 8.08 4.20 0.00 2.94 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 0.00 173 W 8.47 4.83 0.00 3.08 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 0.00 174 Y 8.14 5.40 0.00 3.35 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 0.00 175 T 7.04 4.19 4.40 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 1.34 0.00 0.00 *177 D 7.80 4.60 0.00 2.75 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 0.00 178 P 0.00 4.30 0.00 2.23 2.11 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 179 A 8.44 4.10 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 0.00 180 C 8.07 4.72 0.00 3.10 2.99 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 0.00 181 E 7.64 4.27 0.00 1.94 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 2.50 2.47 0.00 182 K 8.99 3.95 0.00 1.97 2.00 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 183 L 7.09 3.58 0.00 1.43 0.37 0.53 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 7.45 4.44 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 7.91 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 0.00 186 G 9.02 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 0.00 0.00 0.00 187 A 7.93 4.07 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 0.00 188 V 7.49 4.05 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 0.99 0.00 0.00 0.83 0.00 0.00 189 P 0.00 4.45 0.00 2.20 2.01 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.