NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1331 8.2644 123.5840 52.9152 20.4226 177.6316 5 D 4.7338 8.2479 118.3657 55.2681 39.3512 172.5690 6 M 4.0557 8.7136 125.5822 56.7839 34.0371 173.1450 7 E 3.6933 8.4621 125.2831 55.9159 28.8067 176.7190 8 V 4.5033 8.2457 123.8649 58.1653 33.4264 171.9186 9 I 4.0286 8.1605 124.7171 59.1184 36.0862 173.7873 10 E 4.9722 8.4604 128.1850 53.6418 27.9260 174.4477 11 L 4.0945 7.8118 120.3032 55.0244 39.7265 172.0522 12 N 4.3974 8.6378 131.9728 53.3017 40.0223 173.0596 13 K 4.8684 8.4356 125.6605 55.0559 34.5089 174.8839 14 C 4.6298 8.0789 122.0276 58.9631 34.3346 172.7307 15 T 4.1319 8.6584 111.9971 64.6946 67.2540 177.0496 16 S 4.7094 7.6853 112.9111 57.1456 63.1322 173.7383 17 G 3.9198 7.1477 106.3224 47.2422 0.0000 171.4428 18 Q 4.9392 8.4201 118.5130 56.4930 31.6933 175.2632 19 S 5.0488 8.7516 125.4682 56.9600 65.2843 169.9644 20 F 4.8439 7.7601 109.9443 58.0619 39.1455 174.1418 21 E 4.1646 9.1496 123.1491 55.9158 30.1375 177.5625 22 V 4.3250 7.7665 121.3614 60.2206 31.7339 174.8539 23 I 3.8155 8.1291 124.9100 60.5085 36.1990 174.1421 24 L 4.4459 8.7643 129.2729 55.8341 43.0357 177.3460 25 K 4.5650 7.6995 117.8701 53.2181 35.0785 175.4368 26 P 4.0158 0.0000 0.0000 59.0120 31.7743 173.7341 27 P 4.2037 0.0000 0.0000 66.0520 31.7354 176.9245 28 S 4.2513 9.3802 109.9202 58.9642 60.0391 167.5510 *29 F 4.5285 7.3173 127.7449 56.5581 40.4295 178.6107 30 D 4.5875 8.3616 114.6254 53.2651 40.3897 172.1803 *45 P 4.2076 0.0000 0.0000 63.4774 31.4062 177.4188 46 S 4.1015 8.6962 122.6065 59.3121 62.6336 172.1588 47 L 3.8182 7.7318 123.4223 53.4330 41.1477 177.9358 48 E 4.6194 8.1664 127.2608 55.0400 28.3398 176.5958 49 E 3.9839 9.1109 122.1780 57.9308 29.8161 175.4672 50 I 4.5505 7.3636 116.3309 59.6264 32.9886 177.4348 51 Q 4.7027 7.6361 119.1871 55.4827 30.0538 178.5561 52 K 3.7577 8.1029 123.0396 59.7852 32.6331 179.4444 53 K 4.0806 8.1013 118.3317 59.2449 31.9408 178.8785 54 L 4.0001 7.9028 120.1813 56.9292 42.4696 177.4722 55 E 4.1721 7.7271 114.6670 56.4483 30.8349 177.3785 56 A 4.1777 7.6214 120.3825 54.1067 18.5731 179.2112 57 A 3.9916 7.7337 120.0646 54.9965 18.4543 179.3281 58 E 3.9812 7.7744 117.2560 58.6732 29.1701 178.3444 59 E 4.1189 7.8771 118.9455 58.7955 29.8643 178.3293 60 R 4.0303 8.0144 117.9338 58.5483 30.2126 179.0848 61 R 3.9180 8.0617 119.0272 59.3141 30.0471 178.2305 62 K 4.5273 7.6347 118.2065 58.4432 32.4733 176.9690 63 Y 4.1916 7.8735 119.4294 59.6436 39.0311 176.4565 64 Q 4.1251 8.3778 121.4507 58.9703 29.2894 178.5669 65 E 4.3988 8.1502 118.4354 57.1457 30.5301 176.6440 66 A 4.3556 7.7903 118.6856 52.6903 18.4085 178.0212 67 E 4.1827 7.6876 120.1068 58.8584 30.2401 180.7660 68 L 4.5334 7.2781 121.4045 55.7638 41.3269 179.5321 69 L 4.7581 7.5607 120.8266 56.6004 45.0115 177.5471 70 K 4.1869 7.7894 117.3517 58.0440 31.9167 177.2012 71 H 4.4064 8.4230 118.8821 57.3475 30.0006 175.6241 72 L 4.5753 7.9142 118.8492 55.1695 42.7896 177.9412 73 A 4.1371 7.8526 120.6471 54.4286 18.5172 178.7437 74 E 3.8830 7.8228 120.5105 60.0891 29.5454 179.5619 75 K 3.9228 7.6625 123.1038 60.5329 31.9067 180.3149 76 R 4.1887 7.9554 118.7464 58.4713 29.9841 178.0251 77 E 3.8971 8.7279 118.0714 60.2141 29.7800 179.4532 78 H 4.1955 8.0251 116.5349 58.8657 29.9831 176.5043 79 E 3.8981 8.7825 121.7787 59.5901 29.3733 178.6326 80 R 3.8671 8.0991 117.7285 59.8700 29.9625 177.9148 81 E 4.2388 8.0835 120.4590 59.9667 29.6463 179.2176 82 V 3.7358 8.5312 123.2028 65.7810 31.2325 182.6009 83 I 3.8872 7.8503 119.7503 65.4504 35.4795 180.1417 84 Q 4.4006 8.8322 121.9909 58.4479 28.5826 178.2202 85 K 4.4276 8.0424 122.1407 57.7181 32.3677 181.0090 86 A 4.4324 7.9687 121.3794 54.6751 18.6604 179.1394 87 I 3.6895 7.9761 117.2439 64.7133 38.0390 179.1186 88 E 4.0690 8.1755 118.7649 60.4688 29.3264 180.7193 89 E 4.6649 7.7728 115.2199 56.4677 30.2631 177.0882 90 N 4.6404 7.9334 119.5861 56.5943 39.2169 176.3515 91 N 4.5701 8.0333 115.5705 54.7835 38.3043 176.7069 92 N 4.2980 7.3645 120.4732 56.2978 39.0470 176.7714 93 F 4.5796 8.2781 121.8402 61.4884 39.5981 177.2030 94 I 3.4601 7.8064 121.1634 64.6008 37.0333 179.1811 95 K 4.3504 7.3132 122.3921 57.1351 32.8284 179.1791 96 M 5.4444 7.9505 117.9977 56.6853 36.3767 176.1000 97 A 4.1190 7.9713 120.0723 53.6161 19.1375 178.6090 98 K 3.9884 8.2269 118.2355 59.1480 32.6567 178.1248 99 E 4.5930 8.1855 116.9304 56.7113 29.6757 177.3750 100 K 4.3771 7.7415 118.9663 55.0567 31.9860 180.1468 101 L 4.4752 7.2785 117.9404 57.3280 43.7575 177.8896 102 A 3.9413 8.1234 123.9871 55.2657 18.5359 179.0235 103 Q 4.4930 7.7102 113.3819 54.1398 29.0317 180.8557 104 K 4.6067 8.2095 115.9646 58.4907 35.2482 175.6042 105 M 4.7857 7.9580 114.3567 55.1026 34.7488 175.4636 106 E 4.7076 7.9373 117.3442 55.6355 30.8797 176.6203 107 S 4.3789 8.0234 113.2157 60.8159 62.7551 175.5307 108 N 4.2477 7.9291 119.2798 56.5894 39.0540 176.5959 109 K 3.9783 7.7730 122.1285 60.2956 31.9449 179.1442 110 E 4.1284 7.7094 115.8224 60.6959 29.5614 180.5925 111 N 4.5898 8.0569 115.6121 56.9555 38.6526 177.4412 112 R 3.9778 7.8264 119.4323 59.3755 30.2034 178.1408 113 E 3.9501 8.1513 118.0290 59.5990 29.5121 179.2330 114 A 3.9826 7.7526 119.0594 55.0540 18.4536 179.2906 115 H 4.4943 8.3241 117.2654 59.1453 28.6831 178.5891 116 L 4.0286 8.4163 124.8297 59.2822 40.5223 183.1670 117 A 4.1428 7.4437 120.2395 55.0175 18.4496 179.0309 118 A 4.0500 7.7202 118.0756 55.6562 18.4823 179.3788 119 M 4.0976 7.8042 116.1525 58.5076 32.4964 177.9509 120 L 4.0166 8.0765 119.6344 56.8547 42.1976 177.9261 121 E 4.1172 8.2527 118.6525 59.6992 30.0138 177.9132 122 R 3.9499 8.0113 117.4599 59.0917 29.8272 178.2352 123 L 4.2613 7.7941 116.4621 56.3215 42.5413 178.3027 124 Q 4.1478 7.8218 117.9815 57.6540 28.4666 177.5984 125 E 4.1192 7.7226 120.3181 58.3199 30.0489 177.4774 126 K 4.2343 8.0805 115.9351 57.5561 32.2970 177.1129 127 D 4.7159 7.9597 120.2606 57.6728 41.3898 179.3584 128 K 4.4720 7.9176 116.8895 55.4270 31.3924 179.6699 129 H 4.6904 8.4036 121.5387 58.5655 30.7236 176.4237 130 A 3.9658 8.0222 123.8916 55.3700 18.4324 179.4311 131 E 4.1424 8.3166 119.0097 62.2439 29.5659 182.4872 132 E 4.2677 7.5173 117.9420 59.4804 30.5376 179.5161 133 V 4.7043 7.6202 111.5564 60.9450 32.3362 176.2949 134 R 4.3972 7.7999 120.7747 57.7663 32.8098 176.7424 135 K 4.2712 7.8943 115.9901 55.1891 30.2520 179.8570 136 N 4.7268 8.1077 120.9891 56.1031 40.0067 177.1603 137 K 3.8722 7.8041 120.2041 56.7069 32.3764 181.9519 138 E 4.2847 7.4927 117.9396 55.5205 28.6254 184.7970 139 L 4.7901 7.1787 120.2500 55.3520 43.6205 176.6243 140 K 4.6724 8.7563 125.5900 54.3889 34.4068 174.3647 141 E 4.3819 8.1689 120.9847 56.9985 30.4584 179.8015 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 4 A 8.26 4.13 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 5 D 8.25 4.73 0.00 2.79 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 6 M 8.71 4.06 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 7 E 8.46 3.69 0.00 2.16 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 0.00 2.11 1.86 0.00 8 V 8.25 4.50 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 0.91 0.00 0.00 0.93 0.00 0.00 9 I 8.16 4.03 1.87 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 1.30 0.54 0.91 0.00 0.00 10 E 8.46 4.97 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 2.25 2.50 0.00 11 L 7.81 4.09 0.00 1.80 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.64 4.40 0.00 2.98 2.90 0.00 0.00 6.60 6.61 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 13 K 8.44 4.87 0.00 1.75 1.67 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 C 8.08 4.63 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.66 4.13 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 1.22 0.00 0.00 16 S 7.69 4.71 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.15 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 18 Q 8.42 4.94 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 19 S 8.75 5.05 0.00 3.43 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 7.76 4.84 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.15 4.16 0.00 2.14 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 2.29 2.22 0.00 22 V 7.77 4.32 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 0.71 0.00 0.00 1.00 0.00 0.00 23 I 8.13 3.82 1.87 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 1.30 0.69 0.91 0.00 0.00 24 L 8.76 4.45 0.00 1.57 1.69 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.70 4.56 0.00 1.74 1.50 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.01 7.81 26 P 0.00 4.02 0.00 2.05 1.96 0.00 3.69 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 2.02 2.17 0.00 27 P 0.00 4.20 0.00 2.03 2.15 0.00 3.68 0.00 0.00 3.58 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 28 S 9.38 4.25 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 F 7.32 4.53 0.00 2.28 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.36 4.59 0.00 2.64 2.49 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 *45 P 0.00 4.21 0.00 2.07 2.11 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 46 S 8.70 4.10 0.00 3.63 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.73 3.82 0.00 1.82 1.54 0.92 0.79 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 48 E 8.17 4.62 0.00 1.90 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 2.28 2.35 0.00 49 E 9.11 3.98 0.00 2.36 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 2.19 2.28 0.00 50 I 7.36 4.55 1.87 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 1.47 0.80 0.91 0.00 0.00 51 Q 7.64 4.70 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 52 K 8.10 3.76 0.00 2.02 1.84 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.41 7.81 53 K 8.10 4.08 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.42 7.81 54 L 7.90 4.00 0.00 1.72 1.82 0.92 0.86 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 55 E 7.73 4.17 0.00 2.09 2.16 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 2.36 2.23 0.00 56 A 7.62 4.18 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 57 A 7.73 3.99 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 58 E 7.77 3.98 0.00 2.14 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 2.31 2.32 0.00 59 E 7.88 4.12 0.00 2.37 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 0.00 2.29 2.42 0.00 60 R 8.01 4.03 0.00 2.02 1.95 0.00 3.14 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 61 R 8.06 3.92 0.00 1.91 2.03 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 62 K 7.63 4.53 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.49 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.36 7.81 63 Y 7.87 4.19 0.00 3.25 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 64 Q 8.38 4.13 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.37 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 65 E 8.15 4.40 0.00 2.07 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 0.00 2.21 2.44 0.00 66 A 7.79 4.36 1.27 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 0.00 0.00 67 E 7.69 4.18 0.00 1.94 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 2.17 2.24 0.00 68 L 7.28 4.53 0.00 1.91 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.56 4.76 0.00 1.85 1.69 0.91 0.54 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 70 K 7.79 4.19 0.00 1.79 1.73 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 71 H 8.42 4.41 0.00 3.50 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.91 4.58 0.00 1.88 1.65 0.93 0.75 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 73 A 7.85 4.14 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.82 3.88 0.00 2.04 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 2.24 2.29 0.00 75 K 7.66 3.92 0.00 1.85 1.74 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.34 7.81 76 R 7.96 4.19 0.00 2.08 1.86 0.00 3.21 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 77 E 8.73 3.90 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 78 H 8.03 4.20 0.00 3.26 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.78 3.90 0.00 2.22 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 2.33 2.38 0.00 80 R 8.10 3.87 0.00 1.88 2.18 0.00 3.39 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 81 E 8.08 4.24 0.00 2.06 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 2.29 0.00 82 V 8.53 3.74 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 0.72 0.00 0.00 0.93 0.00 0.00 83 I 7.85 3.89 1.87 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 1.52 0.53 0.91 0.00 0.00 84 Q 8.83 4.40 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 85 K 8.04 4.43 0.00 1.83 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.32 7.81 86 A 7.97 4.43 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 87 I 7.98 3.69 1.88 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 1.39 1.33 1.00 0.00 0.00 88 E 8.18 4.07 0.00 2.03 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 2.24 2.19 0.00 89 E 7.77 4.66 0.00 2.16 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 2.53 2.36 0.00 90 N 7.93 4.64 0.00 3.02 2.97 0.00 0.00 7.19 6.81 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 91 N 8.03 4.57 0.00 2.78 2.85 0.00 0.00 7.10 6.92 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 92 N 7.36 4.30 0.00 2.92 2.94 0.00 0.00 6.87 7.33 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 93 F 8.28 4.58 0.00 3.04 3.21 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 0.00 0.00 0.00 94 I 7.81 3.46 1.84 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 1.40 0.37 0.83 0.00 0.00 95 K 7.31 4.35 0.00 1.90 1.68 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.31 7.81 96 M 7.95 5.44 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 97 A 7.97 4.12 0.95 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 98 K 8.23 3.99 0.00 1.94 1.76 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.47 7.81 99 E 8.19 4.59 0.00 2.13 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 2.27 2.21 0.00 100 K 7.74 4.38 0.00 1.79 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.23 7.81 101 L 7.28 4.48 0.00 1.85 1.56 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.12 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.71 4.49 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.18 1.87 0.00 104 K 8.21 4.61 0.00 1.67 1.93 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.55 7.81 105 M 7.96 4.79 0.00 2.01 2.10 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 2.57 2.44 0.00 106 E 7.94 4.71 0.00 2.07 1.87 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 2.19 2.19 0.00 107 S 8.02 4.38 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.93 4.25 0.00 2.80 2.78 0.00 0.00 6.83 6.29 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 0.00 109 K 7.77 3.98 0.00 2.01 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.46 7.81 110 E 7.71 4.13 0.00 2.08 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 2.24 2.22 0.00 111 N 8.06 4.59 0.00 2.94 2.87 0.00 0.00 6.47 7.39 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 0.00 112 R 7.83 3.98 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 113 E 8.15 3.95 0.00 2.43 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 2.34 2.34 0.00 114 A 7.75 3.98 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 0.00 115 H 8.32 4.49 0.00 3.40 3.33 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 0.00 116 L 8.42 4.03 0.00 1.62 1.67 0.92 0.76 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 0.00 117 A 7.44 4.14 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 0.00 118 A 7.72 4.05 1.46 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 0.00 0.00 119 M 7.80 4.10 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 120 L 8.08 4.02 0.00 1.92 1.66 0.92 1.02 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 0.00 121 E 8.25 4.12 0.00 2.27 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 2.26 2.38 0.00 122 R 8.01 3.95 0.00 1.93 1.99 0.00 3.22 0.00 0.00 3.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 123 L 7.79 4.26 0.00 1.74 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.82 4.15 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 125 E 7.72 4.12 0.00 2.07 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 2.25 2.30 0.00 126 K 8.08 4.23 0.00 1.97 1.82 0.00 1.82 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.39 7.81 127 D 7.96 4.72 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.92 4.47 0.00 1.74 1.76 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 H 8.40 4.69 0.00 3.24 3.41 0.00 5.75 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 0.00 130 A 8.02 3.97 1.27 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 0.00 0.00 131 E 8.32 4.14 0.00 1.98 1.98 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 2.32 1.96 0.00 132 E 7.52 4.27 0.00 1.95 1.89 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 2.26 2.22 0.00 133 V 7.62 4.70 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.86 0.00 0.00 134 R 7.80 4.40 0.00 1.96 1.79 0.00 3.16 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 135 K 7.89 4.27 0.00 1.78 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.25 7.81 136 N 8.11 4.73 0.00 2.77 2.68 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.80 3.87 0.00 1.86 1.70 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.39 1.25 7.81 138 E 7.49 4.28 0.00 2.13 1.82 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 2.26 2.12 0.00 139 L 7.18 4.79 0.00 1.63 1.49 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.76 4.67 0.00 1.71 1.62 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.00 7.81 141 E 8.17 4.38 0.00 1.94 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 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.