NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.2259 8.1693 122.4853 55.1606 43.3908 176.2292 9 T 4.3804 7.8116 115.3630 57.9366 73.3795 172.7842 10 L 3.8817 9.1876 123.8714 58.5747 42.2012 180.3528 11 Q 3.8750 7.9099 117.2514 58.8742 28.7494 178.6643 12 K 3.8658 7.8309 119.1895 59.4049 32.0003 179.4333 13 I 3.6041 7.4726 119.5540 64.4506 37.0811 178.7250 14 V 3.4339 7.7112 118.9817 65.9245 31.2613 177.9283 15 E 3.6698 8.1153 118.6334 59.4265 29.2454 179.4633 16 T 3.8100 7.9859 115.6438 66.5648 68.4487 176.4444 17 A 3.9777 8.1345 122.5450 55.0783 18.3403 179.5431 18 A 3.9986 8.0293 119.1416 55.4956 18.5221 179.7975 19 E 3.9737 8.0476 116.7100 59.4462 29.4602 179.5858 20 I 3.6558 7.8796 119.6558 64.3503 37.2192 178.2810 21 A 4.0969 8.2169 121.6454 55.3454 18.0042 179.5004 22 D 4.2806 7.9782 115.9187 57.4687 41.0055 178.6234 23 A 4.1672 7.8614 120.0810 54.4047 18.6041 177.9110 24 N 4.7537 8.6773 111.5840 52.2976 40.7552 175.6510 25 G 4.0626 8.1701 107.0338 45.1389 0.0000 175.4215 26 V 3.7006 8.4860 121.7382 64.2960 31.6527 178.2211 27 Q 4.0841 8.0096 117.1309 58.1094 28.4921 176.4329 28 E 4.0830 7.9100 118.4370 56.9126 29.9640 176.2160 29 V 3.8023 7.6331 119.1545 63.3729 31.5398 175.5236 30 T 4.7705 8.4053 117.4733 59.0086 73.1483 174.6889 31 L 3.8771 8.4138 121.2813 57.8189 41.6483 179.6712 32 A 3.9890 7.9500 120.4048 55.2202 18.3783 179.6382 33 S 4.1039 8.1954 112.8358 61.5223 62.9308 176.6085 34 L 3.9001 8.2237 122.6946 57.4095 41.3215 179.3648 35 A 3.9298 8.2754 120.9480 55.1314 18.3528 179.1910 36 Q 3.8985 8.4964 118.4290 59.9776 28.8698 179.0818 37 T 3.9393 7.9028 115.2423 66.3107 68.6041 176.0092 38 L 4.3233 8.0845 118.0922 53.7834 42.5676 176.7223 39 G 4.0345 7.7629 107.1831 46.6468 0.0000 173.4328 40 V 4.5517 7.8482 115.5115 59.1107 35.2939 175.6601 41 R 4.1726 8.3212 120.1256 55.7593 30.8855 178.0678 42 S 4.1670 8.8763 117.8988 61.3347 62.8979 174.9510 43 P 4.5920 0.0000 0.0000 65.4627 31.1498 178.4716 44 S 4.2983 8.1474 112.3398 60.9469 62.7978 176.3942 45 L 4.0200 7.9444 123.1680 57.9375 41.0974 178.4032 46 Y 5.0183 7.6390 115.6926 59.2719 37.8850 177.2991 47 N 4.5015 8.0121 116.8700 55.3800 38.6486 175.2573 48 H 4.8185 8.1706 115.9102 55.8486 31.5820 174.3268 49 V 4.6899 7.3437 110.4131 59.4667 34.8310 176.1616 50 K 4.4013 9.6882 120.6140 56.7761 32.7518 177.7964 51 G 3.9927 7.5508 105.7749 44.0502 0.0000 173.0064 52 L 3.9066 8.2294 120.4916 58.1796 41.9579 179.1039 53 Q 3.9365 8.0663 119.1082 59.2776 29.0343 177.6750 54 D 4.3004 8.0520 118.5728 57.1504 41.2566 178.1586 55 V 3.5461 7.8027 118.7705 66.1479 31.5742 178.1608 56 R 3.9306 8.2066 117.9777 59.0291 29.8865 178.8392 57 K 3.8935 8.2040 119.3498 59.8336 32.1664 178.6142 58 N 4.3809 8.2215 116.5969 56.1427 38.4333 177.1371 59 L 4.1213 8.4648 122.4106 58.1220 42.1726 179.3346 60 G 3.6157 8.2803 105.6391 47.8996 0.0000 175.7979 61 I 3.7292 7.8602 122.4410 64.2184 37.1403 177.9348 62 Y 4.2403 8.4999 120.8685 60.5269 38.5142 178.3818 63 G 3.5843 8.3156 106.7769 47.8915 0.0000 175.6494 64 I 3.5445 7.6610 121.2772 63.3292 37.8977 178.1483 65 K 3.9196 7.9305 119.7322 59.0866 31.8470 179.2487 66 K 3.7618 7.8081 120.0179 59.0495 32.0247 178.5026 67 L 2.9390 7.4591 120.7873 58.1694 41.8173 178.2341 68 H 4.0484 8.0923 118.1749 59.4240 29.7038 176.4917 69 N 4.1402 8.1504 118.5450 56.7411 38.7343 176.9178 70 R 3.9416 7.8740 119.3527 59.3426 30.1730 179.1148 71 L 4.0276 8.0447 118.7047 57.8154 41.4156 179.3443 72 E 3.9391 8.2566 117.8545 59.2786 29.6430 178.7636 73 E 4.0403 8.2624 118.9708 59.3305 29.5476 178.6767 74 A 4.0161 7.9877 119.1897 54.9841 18.8128 178.7368 75 A 4.3060 8.0100 117.1453 51.6603 18.8900 176.9192 76 E 4.1128 7.3720 119.1945 57.3572 29.9721 176.0005 77 D 4.4833 8.8259 124.6858 55.2091 38.6737 173.3205 78 K 4.7128 7.9005 116.5860 54.8625 34.9875 174.9805 79 R 4.3121 8.1146 117.2964 57.9168 33.0322 177.5783 *81 D 4.7132 7.9038 115.7855 54.5639 43.1817 178.0443 82 E 4.0240 8.1914 117.8021 59.1765 29.4590 179.0513 83 A 4.0031 7.9709 120.7091 55.2412 18.4246 179.5938 84 I 3.4904 7.7861 117.7301 64.9765 37.2544 178.1306 85 H 4.1446 8.3949 116.6258 59.0126 28.5602 177.8077 86 A 4.1171 8.2896 122.4577 54.8191 18.0913 179.7180 87 L 4.1688 8.6409 118.2162 58.0339 41.8049 179.8836 88 G 3.6433 8.6668 105.8251 47.7951 0.0000 175.1645 89 E 3.9231 8.3993 121.7694 59.0899 29.7124 178.8809 90 A 4.0539 8.2782 120.7481 55.0178 18.5102 178.8531 91 Y 3.8600 8.4311 118.5533 61.1027 38.8702 178.7924 92 V 3.7741 8.1036 118.8589 65.8788 31.6353 177.7856 93 A 4.0104 8.3714 120.8516 55.0046 18.1223 179.2974 94 F 3.9775 8.3699 119.1902 61.5085 39.2252 177.5958 95 V 3.3551 7.4588 116.1961 65.8123 31.3272 177.8175 96 R 4.0520 7.9375 117.2524 59.0062 30.0744 178.5991 97 K 4.1615 7.7594 116.2016 57.6385 34.6349 176.5690 98 H 5.0972 7.7321 117.0617 53.2674 28.9348 172.4848 99 P 4.4402 0.0000 0.0000 65.8560 31.6382 179.0042 100 G 3.5890 8.1918 105.0134 47.3432 0.0000 175.2535 101 L 4.0540 8.1995 121.9679 58.0645 42.3850 178.1919 102 Y 4.5289 8.3307 119.3923 60.9393 38.9011 177.4107 103 E 4.0805 8.6695 120.1063 59.5902 29.7157 178.7410 104 A 4.1503 8.2303 120.6828 54.8959 18.2070 179.2099 105 T 3.9183 7.6750 107.0586 63.5488 68.8232 175.0565 106 F 4.5796 7.3745 119.1274 56.8437 39.2515 175.5482 107 L 3.9705 7.5185 123.3160 55.7095 42.4444 178.7270 108 R 4.3675 8.3804 126.5627 55.6211 28.3022 175.6312 109 D 4.8017 7.4957 117.7097 51.6358 45.8804 175.0071 110 E 4.0349 8.7904 125.6686 59.4006 29.6018 179.3813 111 E 4.0048 8.3752 118.9379 59.0412 29.2660 179.3886 112 V 3.5225 7.8425 117.0120 66.0190 32.0308 177.5971 113 R 4.0284 7.9285 117.6742 59.5814 30.1451 179.3129 114 K 3.9997 8.1351 117.5331 59.2200 31.7843 179.0568 115 A 4.2425 7.7529 119.5061 53.9770 18.6697 178.8316 116 G 3.7310 7.9278 103.3631 45.5919 0.0000 175.4591 117 D 4.4816 8.0097 121.8313 57.2698 40.8145 178.7212 118 G 3.5177 7.9974 105.7009 47.5523 0.0000 175.7658 119 I 3.7424 7.4380 121.8978 64.3481 37.2369 178.3809 120 V 3.6583 7.8053 118.5816 66.0887 31.1718 178.0863 121 K 3.9872 8.1539 118.0943 59.1789 31.9165 179.0668 122 L 3.9341 7.8681 120.5479 58.4056 42.0323 178.5578 123 C 3.9510 8.0672 116.5972 62.9396 28.1278 176.0611 124 L 3.9418 8.0427 121.5820 58.1231 41.4520 178.6205 125 Q 3.9472 8.0877 118.6527 59.3757 29.1479 178.3408 126 V 3.7285 7.8440 119.1346 65.9747 31.5863 178.0011 127 L 4.2289 8.2459 118.7716 57.5758 41.5070 179.2491 128 Q 4.1557 8.3715 117.8866 58.4279 28.3710 178.2577 129 Q 4.0646 7.6598 118.3808 58.1361 28.7458 177.1300 130 Y 4.2103 7.9078 116.3298 56.8352 39.6049 175.0417 131 G 3.8782 7.6326 109.0101 46.0176 0.0000 172.9044 132 L 4.6744 7.4115 118.7622 53.9921 43.5361 176.7693 133 E 4.3299 8.5516 120.4606 56.3202 32.0930 179.3530 134 G 4.0768 8.4696 113.1910 47.1333 0.0000 174.0729 135 E 4.4031 8.9743 125.0781 56.2710 30.1408 177.3656 136 N 4.4613 8.6471 118.8296 56.1280 38.1891 176.9937 137 A 4.0255 7.9819 121.9898 55.1760 18.4561 179.5270 138 L 3.9877 7.7181 117.0116 58.2114 41.7405 179.2530 139 H 4.2715 8.3295 116.0412 58.7356 28.6161 177.7294 140 A 4.2360 8.2095 123.0381 55.2231 18.0907 179.7733 141 T 4.0087 7.8305 108.4958 65.0971 68.7340 177.0728 142 R 4.0276 7.8131 120.6063 58.7509 30.1052 179.0107 143 G 3.7146 8.3976 105.7840 47.9181 0.0000 175.3649 144 F 3.5964 8.7258 123.9083 60.7528 39.4305 177.3121 145 R 3.6289 8.1960 117.7546 59.3448 29.7621 179.2622 146 S 4.1053 8.3118 115.2492 61.4520 62.6933 176.8456 147 I 3.5468 7.3671 122.3968 64.4810 36.8603 178.3505 148 C 3.7376 7.1400 117.2993 62.8237 27.7133 175.6598 149 H 4.4591 7.9269 119.8762 59.2151 29.4936 177.1652 150 G 3.7159 8.3459 107.9185 47.9480 0.0000 175.1545 151 F 4.1440 8.5584 123.7356 60.8917 39.4379 177.0799 152 A 4.1942 8.3113 120.3443 55.2205 18.2753 179.6194 153 S 3.9983 8.4330 112.0960 61.4009 62.4446 176.4091 154 I 3.3248 7.4454 122.5177 64.0907 36.8485 177.8511 155 E 3.8576 7.6893 120.0215 59.4934 29.2536 178.5491 156 Q 3.9948 7.9474 118.0587 59.0810 29.1520 177.5236 157 Q 4.3559 7.6766 115.5841 55.4285 29.0037 176.5529 158 G 3.8456 7.6698 108.0937 45.7897 0.0000 174.9747 159 G 3.5343 7.8007 107.4759 46.4119 0.0000 175.3903 160 F 4.8496 7.4340 119.8787 56.0966 37.5531 175.5309 161 G 3.7432 8.1990 113.1998 47.6354 0.0000 172.2094 162 L 4.1475 7.8704 119.6187 54.1777 42.1119 176.4281 163 P 4.4193 0.0000 0.0000 64.8186 31.5773 177.2717 164 L 4.0731 7.0978 117.2862 54.3573 42.2484 177.0824 165 D 4.4211 8.5427 121.2416 54.6076 42.4450 177.5398 166 L 4.1280 8.5601 126.7606 57.8603 41.8617 179.2297 167 D 4.3290 8.2045 118.5787 57.2157 40.7298 178.5487 168 I 3.6626 8.2324 120.3946 64.5492 37.1631 178.4097 169 S 4.1028 7.9721 115.8556 61.6050 62.6162 176.6389 170 L 3.1635 7.8703 122.8379 58.1451 41.6634 178.2509 171 H 4.0320 8.0524 118.1168 59.4298 29.6364 177.2197 172 V 3.6056 8.0947 120.0849 65.8610 31.3536 177.7103 173 L 3.9406 7.9753 120.0053 58.2617 41.8903 178.9761 174 L 4.0372 8.0707 119.1277 57.6926 41.5194 179.1549 175 E 3.9351 8.4340 119.4383 59.5835 29.6262 178.8624 176 T 3.8987 8.1881 116.0161 66.5763 68.4999 176.2354 177 F 4.2412 8.2496 122.3423 61.4205 39.4969 177.0624 178 I 3.2569 7.9453 119.4872 64.3091 36.9343 178.4198 179 K 4.0034 8.6008 119.5547 59.6445 31.7036 179.6633 180 G 3.6007 7.8435 104.4257 47.6048 0.0000 175.4328 181 L 3.9205 7.2278 120.5738 57.5619 41.6072 179.3553 182 R 4.1778 7.9836 117.2530 58.1209 30.0873 176.5421 183 E 4.6870 7.8575 122.2177 57.2682 31.8360 176.3148 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 L 8.17 4.23 0.00 1.58 1.65 0.88 0.62 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 9 T 7.81 4.38 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 1.18 0.00 0.00 10 L 9.19 3.88 0.00 1.78 1.70 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.91 3.87 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 12 K 7.83 3.87 0.00 1.91 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 13 I 7.47 3.60 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.83 0.00 0.00 14 V 7.71 3.43 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 0.68 0.00 0.00 0.91 0.00 0.00 15 E 8.12 3.67 0.00 2.04 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 0.00 2.08 2.21 0.00 16 T 7.99 3.81 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 A 8.13 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.03 4.00 1.56 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 0.00 0.00 19 E 8.05 3.97 0.00 1.98 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 2.54 2.50 0.00 20 I 7.88 3.66 2.00 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 1.45 0.76 0.91 0.00 0.00 21 A 8.22 4.10 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 22 D 7.98 4.28 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.86 4.17 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 24 N 8.68 4.75 0.00 2.78 2.83 0.00 0.00 7.35 7.21 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 25 G 8.17 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 26 V 8.49 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 27 Q 8.01 4.08 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 28 E 7.91 4.08 0.00 1.95 2.17 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 2.31 2.28 0.00 29 V 7.63 3.80 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 0.82 0.00 0.00 0.98 0.00 0.00 30 T 8.41 4.77 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 31 L 8.41 3.88 0.00 1.69 1.68 0.78 0.74 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 32 A 7.95 3.99 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 33 S 8.20 4.10 0.00 4.06 4.13 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 34 L 8.22 3.90 0.00 1.81 1.71 0.86 0.87 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 35 A 8.28 3.93 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 36 Q 8.50 3.90 0.00 2.07 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 37 T 7.90 3.94 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 1.20 0.00 0.00 38 L 8.08 4.32 0.00 1.64 1.68 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.76 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 0.00 0.00 0.00 40 V 7.85 4.55 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 0.76 0.00 0.00 0.94 0.00 0.00 41 R 8.32 4.17 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 42 S 8.88 4.17 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.59 0.00 2.23 2.21 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 44 S 8.15 4.30 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.94 4.02 0.00 1.53 1.54 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.64 5.02 0.00 3.14 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 47 N 8.01 4.50 0.00 2.52 2.68 0.00 0.00 6.73 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 48 H 8.17 4.82 0.00 3.12 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.34 4.69 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 0.76 0.00 0.00 0.76 0.00 0.00 50 K 9.69 4.40 0.00 1.79 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.41 7.81 51 G 7.55 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.23 3.91 0.00 1.76 1.68 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.07 3.94 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 54 D 8.05 4.30 0.00 2.84 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 55 V 7.80 3.55 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 1.01 0.00 0.00 0.89 0.00 0.00 56 R 8.21 3.93 0.00 2.05 1.98 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 57 K 8.20 3.89 0.00 1.82 1.99 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.61 7.81 58 N 8.22 4.38 0.00 2.85 2.85 0.00 0.00 6.75 6.03 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 59 L 8.46 4.12 0.00 1.83 1.87 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.28 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 61 I 7.86 3.73 2.05 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 1.53 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0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.54 7.81 79 R 8.11 4.31 0.00 1.78 1.79 0.00 3.10 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 *81 D 7.90 4.71 0.00 2.87 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 82 E 8.19 4.02 0.00 1.99 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 2.42 2.33 0.00 83 A 7.97 4.00 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 84 I 7.79 3.49 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.91 0.98 0.00 0.00 85 H 8.39 4.14 0.00 3.30 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.29 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.64 4.17 0.00 2.01 2.09 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 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1.98 1.97 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 97 K 7.76 4.16 0.00 1.69 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.17 7.81 98 H 7.73 5.10 0.00 2.18 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.44 0.00 2.30 2.33 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 100 G 8.19 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 0.00 101 L 8.20 4.05 0.00 1.81 1.75 1.20 0.80 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 0.00 102 Y 8.33 4.53 0.00 3.36 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 0.00 103 E 8.67 4.08 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 104 A 8.23 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.81 0.00 0.00 1.01 0.00 0.00 113 R 7.93 4.03 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 114 K 8.14 4.00 0.00 1.95 1.84 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 115 A 7.75 4.24 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 0.00 116 G 7.93 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 0.00 117 D 8.01 4.48 0.00 2.87 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 0.00 118 G 8.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.44 3.74 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 1.02 0.00 0.00 120 V 7.81 3.66 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 1.09 0.00 0.00 0.95 0.00 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1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 130 Y 7.91 4.21 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.63 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 0.00 132 L 7.41 4.67 0.00 1.74 1.66 0.94 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 0.00 133 E 8.55 4.33 0.00 2.03 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 0.00 2.36 2.30 0.00 134 G 8.47 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.97 4.40 0.00 2.05 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 0.00 2.30 2.30 0.00 136 N 8.65 4.46 0.00 2.90 2.89 0.00 0.00 6.85 7.38 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 0.00 137 A 7.98 4.03 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 0.00 138 L 7.72 3.99 0.00 1.81 1.67 0.89 1.13 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 0.00 139 H 8.33 4.27 0.00 3.24 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.21 4.24 1.49 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 0.00 141 T 7.83 4.01 4.32 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 1.34 0.00 0.00 142 R 7.81 4.03 0.00 2.27 2.06 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 143 G 8.40 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 0.00 144 F 8.73 3.60 0.00 3.14 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 0.00 145 R 8.20 3.63 0.00 2.03 1.97 0.00 3.26 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 146 S 8.31 4.11 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.37 3.55 1.48 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.61 0.00 0.00 148 C 7.14 3.74 0.00 1.59 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.93 4.46 0.00 3.51 3.47 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.35 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 0.00 151 F 8.56 4.14 0.00 3.27 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 0.00 152 A 8.31 4.19 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.00 0.00 3.70 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 0.00 154 I 7.45 3.32 0.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.34 -0.42 0.00 0.00 155 E 7.69 3.86 0.00 2.12 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 0.00 2.36 2.42 0.00 156 Q 7.95 3.99 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 157 Q 7.68 4.36 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 158 G 7.67 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 0.00 159 G 7.80 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 0.00 160 F 7.43 4.85 0.00 2.95 2.80 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 0.00 161 G 8.20 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 0.00 162 L 7.87 4.15 0.00 1.74 1.62 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.42 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 164 L 7.10 4.07 0.00 1.70 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.54 4.42 0.00 2.78 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 0.00 166 L 8.56 4.13 0.00 1.82 1.91 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.20 4.33 0.00 2.85 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 0.00 168 I 8.23 3.66 2.01 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 1.49 0.88 0.90 0.00 0.00 169 S 7.97 4.10 0.00 4.14 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 0.00 170 L 7.87 3.16 0.00 0.37 1.42 0.22 0.98 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 0.00 171 H 8.05 4.03 0.00 3.31 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.09 3.61 2.22 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 1.04 0.00 0.00 0.98 0.00 0.00 173 L 7.98 3.94 0.00 1.81 1.72 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.07 4.04 0.00 1.73 1.56 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.43 3.94 0.00 2.21 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 0.00 2.37 2.43 0.00 176 T 8.19 3.90 4.43 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 1.25 0.00 0.00 177 F 8.25 4.24 0.00 3.04 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 0.00 178 I 7.95 3.26 1.99 0.00 0.00 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 1.47 0.76 1.04 0.00 0.00 179 K 8.60 4.00 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.73 7.81 180 G 7.84 3.60 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 0.00 181 L 7.23 3.92 0.00 1.12 1.15 -0.31 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.98 4.18 0.00 1.94 2.03 0.00 3.32 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 183 E 7.86 4.69 0.00 1.97 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 2.09 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.