NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3905 8.3044 120.3653 55.6899 33.6960 175.4837 2 D 4.6759 7.9519 125.6738 52.6437 39.9276 174.3728 3 F 4.9344 9.2191 121.5243 57.0546 41.1382 174.5824 4 R 4.9111 9.0527 119.3253 54.8005 34.6811 174.3433 5 I 4.9851 8.5191 115.6179 59.4056 40.9554 174.4129 6 G 4.3883 8.8359 109.5516 44.6752 0.0000 171.3655 7 Q 5.1784 8.6734 117.7533 54.2405 31.8501 174.4471 8 G 4.4223 9.3153 108.4633 44.7583 0.0000 170.7930 9 Y 5.4425 8.5176 121.2655 55.8799 41.9758 173.6958 10 D 4.6629 8.3046 124.2969 52.9096 45.4114 174.0738 11 V 4.6931 7.7214 121.2886 60.8004 34.5151 173.3819 12 H 4.9790 8.9384 118.9611 54.0120 33.5545 172.9389 13 Q 4.5883 8.6390 119.7456 56.0121 30.2003 175.4549 14 L 4.9000 8.7474 123.8162 54.3435 42.0827 176.6367 15 V 4.6134 8.8334 117.6923 58.4433 35.2567 173.8936 16 P 4.3958 0.0000 0.0000 63.1229 32.5835 176.9184 17 G 4.4601 8.0543 110.6649 46.6972 0.0000 173.6541 18 R 4.7041 7.2491 117.5343 53.0576 32.8221 173.7081 19 P 4.6316 0.0000 0.0000 62.5039 32.8905 175.7948 20 L 4.3467 8.5295 124.5381 54.4140 42.9704 175.1911 21 I 4.9617 8.2302 128.0318 59.5875 40.0358 175.0542 22 I 4.5573 8.3888 128.2600 60.4177 40.1396 176.2001 23 G 4.0506 9.9872 113.0145 46.5238 0.0000 175.2636 24 G 3.8753 8.9352 108.7774 44.8719 0.0000 174.5628 25 V 3.9792 7.4992 120.7279 61.6311 31.9129 174.9422 26 T 4.5029 8.4548 124.9098 63.7448 68.8414 173.9339 27 I 4.6004 8.5245 127.9820 58.2859 40.1566 173.7797 28 P 4.4218 0.0000 0.0000 63.3931 31.2980 175.1087 29 Y 4.7105 8.5257 125.2052 56.8955 41.0973 175.2888 30 E 4.0335 7.8489 121.6090 58.2588 29.9350 176.4906 31 R 5.1695 6.9222 115.1289 54.7785 34.4890 174.5309 32 G 4.3253 8.8723 106.2696 44.6849 0.0000 171.1856 33 L 5.0405 8.3776 119.5935 53.7953 42.6438 176.6020 34 L 4.3799 8.5884 126.8388 54.2942 42.8892 175.9453 35 G 4.0753 8.3164 115.6904 45.9084 0.0000 173.5111 *36 H 4.3772 8.9290 116.1216 56.5549 28.5976 174.2773 37 S 4.8914 7.5958 114.2266 57.5420 64.5413 174.0935 38 D 4.3745 8.7683 120.1462 54.0071 39.0659 175.6626 39 A 3.4640 7.5583 120.7031 53.0533 16.8380 178.3804 40 D 4.7601 8.0896 121.1316 55.2860 40.0983 176.0551 41 V 3.9195 7.9039 128.4034 63.7815 31.5666 177.8987 42 L 3.8754 7.7358 120.4065 58.0239 41.9964 178.9007 43 L 4.0360 7.8814 118.6837 57.9451 41.3819 179.2618 44 H 4.2818 8.3291 116.1878 58.8351 28.5540 177.7153 45 A 4.0223 7.9025 122.2757 55.1241 18.1155 179.8271 46 I 3.6431 7.7633 118.3441 64.6684 37.1952 178.5244 47 T 3.6514 8.0883 116.8214 66.8476 68.3641 176.0627 48 D 4.5219 8.4072 120.4062 57.5936 40.9526 178.7570 49 A 4.1785 8.2911 121.3233 55.3472 18.3665 179.7836 50 L 3.8816 8.0232 117.4760 57.9234 41.6423 179.6273 51 F 4.5953 8.5004 118.2845 60.5496 38.7943 178.0274 52 G 3.5705 8.8640 105.5112 47.6533 0.0000 175.5634 53 A 4.1375 8.0431 123.3667 54.1444 18.5152 178.8538 54 A 2.9719 7.4824 115.1015 50.8601 18.8289 176.9420 55 A 3.7097 7.4245 119.6824 53.5729 16.7639 177.9754 56 L 4.5400 8.3005 117.2786 55.7945 43.1761 177.2089 57 G 3.9574 9.2378 107.7016 43.9069 0.0000 175.7025 58 D 4.6607 8.1298 126.7640 50.6858 42.1509 175.3060 59 I 3.9800 9.2236 118.7504 64.6311 37.4748 177.9764 60 G 3.6399 8.0798 104.6773 47.7253 0.0000 175.1678 61 R 3.9449 8.3028 120.1893 58.7166 30.1092 177.3401 62 H 4.2402 7.2953 113.4597 57.9366 29.9658 174.4315 63 F 5.0287 7.9489 119.2446 55.6234 41.6427 174.0209 *74 D 4.4201 8.3496 121.2893 54.3637 41.6379 176.2704 75 S 4.2746 8.6386 115.7140 60.8832 62.7582 177.1729 76 R 3.9520 8.0351 120.8656 58.7925 29.9101 178.4525 77 A 3.9292 8.6083 121.0764 55.0864 18.3039 179.6452 78 L 3.4355 7.5394 117.1470 57.6407 41.5586 179.4888 79 L 3.8837 8.2126 120.6301 58.2086 42.0020 179.2182 80 R 3.8878 8.2290 118.2767 59.1904 29.9401 178.6373 81 E 3.9790 8.3690 119.1502 59.3387 29.5985 178.1442 82 C 3.9576 8.4665 118.7425 62.7142 31.5454 175.3909 83 A 3.9509 8.0905 122.1611 55.3288 17.7995 179.5941 84 S 4.0892 8.0595 111.5473 61.6860 62.6433 176.6639 85 R 4.0438 8.5967 121.1897 58.9065 29.8449 179.2354 86 V 3.7194 8.2972 118.6266 65.9833 31.5301 177.9923 87 A 4.3054 8.0698 121.9130 54.6951 17.9797 179.3246 88 Q 3.9568 8.2157 115.7435 59.3474 28.9754 178.9655 89 A 4.3231 7.7947 118.9063 53.0172 18.3909 178.1795 90 G 3.8162 8.2471 106.5921 44.8560 0.0000 172.8497 91 F 5.1123 8.1919 117.6921 55.4897 41.7900 174.6278 92 A 4.8497 8.9830 123.3902 50.1871 22.0729 175.4503 93 I 4.2826 8.3255 121.9228 61.2368 37.6290 175.9316 94 R 4.4869 9.3144 127.2183 58.1710 30.9440 176.4325 95 N 5.0617 7.6836 113.4150 52.0334 40.6925 173.2748 96 V 4.8565 8.7444 119.6169 61.3326 35.0190 173.7995 97 D 5.4170 9.1562 126.1579 51.7921 45.2638 173.8536 98 S 5.0795 8.0843 114.6204 58.2565 66.2912 173.9038 99 T 4.9640 8.7302 116.4104 62.0742 72.8202 173.0665 100 I 4.7221 8.9193 127.0805 59.7300 39.8364 174.6279 101 I 4.8880 8.9993 127.8350 59.6890 39.1720 174.9187 102 A 4.6298 8.9512 129.8540 50.8496 22.0504 176.5007 103 Q 3.8554 9.0559 124.4724 58.7314 29.4674 176.0834 104 A 4.5876 7.4106 117.2141 50.0223 22.1438 173.5824 105 P 4.6240 0.0000 0.0000 61.2986 33.5135 176.1757 106 K 4.0653 8.4350 119.6643 55.1150 32.0275 173.0624 107 L 4.5891 8.4025 121.8655 54.4686 43.6337 178.6004 108 A 3.9558 8.2635 122.1868 54.7804 18.1391 177.5750 109 P 4.4133 0.0000 0.0000 64.8232 31.7927 176.9869 110 H 4.7852 8.3890 116.3641 55.9215 28.9886 176.4690 111 I 3.7884 7.3565 122.5756 64.4358 36.9970 177.9321 112 D 4.3171 8.0708 119.1203 57.0609 40.6305 178.4625 113 A 3.9590 7.9346 120.7774 55.4690 18.4867 178.9974 114 M 4.3552 7.8350 118.5199 58.1307 32.0400 179.1373 115 R 3.8981 8.2549 118.2791 59.3605 30.1907 178.4364 116 A 3.9814 8.0885 120.6404 55.0146 18.3252 179.2541 117 N 4.2333 8.8022 115.3985 56.5577 38.6769 177.6598 118 I 3.6419 8.1400 121.1259 64.4765 37.1822 178.4116 119 A 4.0151 8.3309 121.6091 54.9194 18.1064 179.6635 120 A 3.8865 8.0090 119.3235 55.6454 18.3819 179.5925 121 D 4.3758 8.0759 115.9440 56.8731 40.9432 178.1681 122 L 4.3847 7.7826 116.5212 53.1514 42.9513 175.5665 123 D 4.3685 7.8790 117.8061 55.6688 40.0166 172.9480 124 L 4.8928 7.9781 117.1874 51.8537 45.5087 175.6234 125 P 4.4606 0.0000 0.0000 62.3585 32.1469 177.2071 126 L 3.9351 8.7364 120.5606 58.2394 41.6081 178.8529 127 D 4.5622 8.0411 115.0900 54.8367 39.8879 176.5498 128 R 4.6028 8.2132 119.2170 55.9797 31.3799 175.5812 129 V 4.8562 7.6217 119.0821 61.2563 34.1189 174.2793 130 N 5.1133 9.0333 124.9895 52.0550 42.9768 173.0715 131 V 4.8778 8.2314 123.3045 60.1234 34.4512 174.4570 132 K 4.8568 9.0063 126.1664 54.6018 35.9895 174.8730 133 A 5.1972 8.3036 121.9103 50.5055 22.1306 175.7424 134 K 4.7484 9.0473 120.3652 54.8442 36.9474 176.5369 135 T 4.7520 8.3864 113.4187 60.0637 71.1014 173.7379 136 N 4.7193 8.8687 116.8688 52.6149 38.9329 174.3035 137 E 3.9349 9.0527 114.1604 57.4973 27.5842 175.1151 138 K 4.1006 8.2493 111.1415 56.1653 30.4468 175.3300 139 L 4.3436 7.9035 119.2149 54.2299 43.0825 178.5440 140 G 3.9466 8.5043 112.3535 44.8261 0.0000 173.3332 141 Y 4.3454 8.0448 115.6937 60.2243 37.5454 178.5058 142 L 4.1273 7.1168 120.4335 57.6781 41.7425 179.4619 143 G 3.6685 8.0220 105.2673 47.0389 0.0000 175.0568 144 R 4.4864 7.9194 118.1457 55.5010 30.5784 176.3339 145 G 3.9309 7.9470 106.8303 46.9443 0.0000 174.7499 146 E 4.4057 8.7292 120.7953 56.9293 30.5077 176.2052 147 G 4.2829 7.6657 105.0877 44.7797 0.0000 171.5106 148 I 4.8445 8.5611 118.4638 59.5732 41.6035 174.5383 149 E 5.0841 9.0070 126.3106 54.3852 32.8413 174.3873 150 A 5.3038 8.7020 125.4214 50.2829 23.0246 175.0063 151 Q 5.2691 9.1434 118.1804 54.2049 33.0066 174.6018 152 A 5.2137 9.0464 122.4396 50.3558 23.3573 174.8369 153 A 5.2253 9.2545 121.1673 50.0692 22.7288 175.1599 154 A 5.0911 8.8568 122.7042 49.9563 22.9712 174.5349 155 L 5.2107 8.9135 123.5501 53.4767 44.7231 175.7984 156 V 5.1531 8.8086 118.4560 59.5636 36.3941 174.6258 157 V 4.8076 8.5755 120.0254 59.8587 34.8995 175.5532 158 R 4.0004 8.3404 122.2610 56.0110 29.4926 176.0021 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 1 M 8.30 4.39 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 2 D 7.95 4.68 0.00 2.90 2.48 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 3 F 9.22 4.93 0.00 3.01 3.02 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 4 R 9.05 4.91 0.00 1.62 1.75 0.00 3.31 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 5 I 8.52 4.99 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 1.30 0.93 0.95 0.00 0.00 6 G 8.84 4.39 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 0.00 7 Q 8.67 5.18 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 8 G 9.32 4.42 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 0.00 9 Y 8.52 5.44 0.00 2.95 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 10 D 8.30 4.66 0.00 2.75 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 11 V 7.72 4.69 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 0.73 0.00 0.00 1.04 0.00 0.00 12 H 8.94 4.98 0.00 3.03 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.64 4.59 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 14 L 8.75 4.90 0.00 1.57 1.74 1.04 0.87 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 15 V 8.83 4.61 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 0.79 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.40 0.00 2.06 1.95 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 17 G 8.05 4.46 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 0.00 18 R 7.25 4.70 0.00 1.65 1.81 0.00 3.45 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 19 P 0.00 4.63 0.00 2.07 2.04 0.00 3.75 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 1.97 1.95 0.00 20 L 8.53 4.35 0.00 2.07 1.84 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.23 4.96 1.83 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 1.32 0.72 0.90 0.00 0.00 22 I 8.39 4.56 1.81 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 1.16 0.72 0.86 0.00 0.00 23 G 9.99 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.94 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 25 V 7.50 3.98 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.45 4.50 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 1.21 0.00 0.00 27 I 8.52 4.60 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.59 0.79 0.00 0.00 28 P 0.00 4.42 0.00 2.12 2.11 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 Y 8.53 4.71 0.00 2.96 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 30 E 7.85 4.03 0.00 1.93 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 0.00 2.32 1.91 0.00 31 R 6.92 5.17 0.00 1.92 2.00 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 32 G 8.87 4.33 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 0.00 33 L 8.38 5.04 0.00 1.48 1.56 0.90 0.99 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 34 L 8.59 4.38 0.00 1.65 1.59 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.32 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 *36 H 8.93 4.38 0.00 2.94 3.00 0.00 7.19 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.60 4.89 0.00 3.96 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 38 D 8.77 4.37 0.00 2.75 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 39 A 7.56 3.46 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.09 4.76 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.90 3.92 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 0.98 0.00 0.00 0.96 0.00 0.00 42 L 7.74 3.88 0.00 1.73 1.81 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 4.04 0.00 1.78 1.69 0.92 1.49 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 44 H 8.33 4.28 0.00 3.49 3.35 0.00 5.64 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 45 A 7.90 4.02 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 46 I 7.76 3.64 1.98 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 1.51 0.71 0.87 0.00 0.00 47 T 8.09 3.65 4.47 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 1.17 0.00 0.00 48 D 8.41 4.52 0.00 2.98 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 49 A 8.29 4.18 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 50 L 8.02 3.88 0.00 1.61 1.52 0.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.50 4.60 0.00 3.13 3.08 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 52 G 8.86 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.04 4.14 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 54 A 7.48 2.97 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 55 A 7.42 3.71 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 56 L 8.30 4.54 0.00 1.75 1.69 1.15 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.24 3.96 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 0.00 0.00 0.00 58 D 8.13 4.66 0.00 3.07 2.78 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 59 I 9.22 3.98 2.28 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.99 0.00 0.00 60 G 8.08 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 3.94 0.00 1.75 2.02 0.00 3.10 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 62 H 7.30 4.24 0.00 2.08 1.90 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.95 5.03 0.00 3.04 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 *74 D 8.35 4.42 0.00 3.08 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 75 S 8.64 4.27 0.00 3.88 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 76 R 8.04 3.95 0.00 1.94 2.04 0.00 3.10 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.61 3.93 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 78 L 7.54 3.44 0.00 1.65 1.31 0.64 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.21 3.88 0.00 1.77 1.77 0.85 0.82 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 80 R 8.23 3.89 0.00 2.04 1.96 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 81 E 8.37 3.98 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 82 C 8.47 3.96 0.00 2.75 2.97 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 83 A 8.09 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 84 S 8.06 4.09 0.00 3.97 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 85 R 8.60 4.04 0.00 2.22 2.15 0.00 3.43 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 86 V 8.30 3.72 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 1.08 0.00 0.00 0.95 0.00 0.00 87 A 8.07 4.31 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 88 Q 8.22 3.96 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 89 A 7.79 4.32 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.25 3.82 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 0.00 0.00 0.00 91 F 8.19 5.11 0.00 3.14 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 92 A 8.98 4.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.33 4.28 1.88 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 1.35 0.62 0.91 0.00 0.00 94 R 9.31 4.49 0.00 1.91 2.09 0.00 3.47 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 95 N 7.68 5.06 0.00 2.85 2.89 0.00 0.00 5.57 7.68 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 96 V 8.74 4.86 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.16 5.42 0.00 2.78 2.43 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 98 S 8.08 5.08 0.00 4.00 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 99 T 8.73 4.96 4.25 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 1.21 0.00 0.00 100 I 8.92 4.72 1.84 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 1.20 0.64 0.87 0.00 0.00 101 I 9.00 4.89 1.87 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 1.16 0.66 0.97 0.00 0.00 102 A 8.95 4.63 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 9.06 3.86 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 104 A 7.41 4.59 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 0.00 105 P 0.00 4.62 0.00 2.17 2.12 0.00 3.32 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 106 K 8.43 4.07 0.00 1.80 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.40 4.59 0.00 1.67 1.70 0.88 0.86 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 0.00 108 A 8.26 3.96 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 0.00 109 P 0.00 4.41 0.00 1.97 2.10 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 110 H 8.39 4.79 0.00 3.12 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.36 3.79 2.03 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 0.50 0.90 0.00 0.00 112 D 8.07 4.32 0.00 2.68 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 0.00 113 A 7.93 3.96 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 0.00 114 M 7.83 4.36 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 115 R 8.25 3.90 0.00 1.97 2.18 0.00 3.09 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 1.74 0.00 116 A 8.09 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 0.00 117 N 8.80 4.23 0.00 2.95 2.87 0.00 0.00 7.04 7.92 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 0.00 118 I 8.14 3.64 1.86 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 1.43 0.90 0.90 0.00 0.00 119 A 8.33 4.02 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 0.00 120 A 8.01 3.89 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 0.00 121 D 8.08 4.38 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.78 4.38 0.00 1.68 1.68 0.90 0.87 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 0.00 123 D 7.88 4.37 0.00 2.76 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 0.00 124 L 7.98 4.89 0.00 1.61 1.52 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.46 0.00 2.37 2.18 0.00 3.73 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 2.17 1.99 0.00 126 L 8.74 3.94 0.00 1.72 1.79 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.04 4.56 0.00 2.77 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 0.00 128 R 8.21 4.60 0.00 1.90 2.13 0.00 3.08 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 129 V 7.62 4.86 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.03 5.11 0.00 2.85 2.78 0.00 0.00 6.28 7.83 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 0.00 131 V 8.23 4.88 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 1.21 0.00 0.00 0.92 0.00 0.00 132 K 9.01 4.86 0.00 1.79 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.48 7.81 133 A 8.30 5.20 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.05 4.75 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.50 7.81 135 T 8.39 4.75 4.34 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 1.20 0.00 0.00 136 N 8.87 4.72 0.00 2.77 2.71 0.00 0.00 7.78 7.81 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 0.00 137 E 9.05 3.93 0.00 2.06 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 0.00 2.24 2.39 0.00 138 K 8.25 4.10 0.00 1.88 1.87 0.00 1.79 0.00 0.00 2.37 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 139 L 7.90 4.34 0.00 1.79 1.51 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.50 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 0.00 141 Y 8.04 4.35 0.00 3.32 3.33 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 0.00 142 L 7.12 4.13 0.00 1.54 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.02 3.67 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 0.00 0.00 0.00 144 R 7.92 4.49 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 145 G 7.95 3.93 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 0.00 0.00 0.00 146 E 8.73 4.41 0.00 2.34 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 2.32 2.31 0.00 147 G 7.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.56 4.84 1.86 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 1.09 0.71 0.93 0.00 0.00 149 E 9.01 5.08 0.00 2.10 1.79 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 2.20 2.24 0.00 150 A 8.70 5.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.14 5.27 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 152 A 9.05 5.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.25 5.23 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 0.00 154 A 8.86 5.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.91 5.21 0.00 1.83 1.71 1.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.81 5.15 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 0.76 0.00 0.00 0.81 0.00 0.00 157 V 8.58 4.81 1.14 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 0.67 0.00 0.00 0.12 0.00 0.00 158 R 8.34 4.00 0.00 1.58 1.76 0.00 2.28 0.00 0.00 2.89 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.00 * Residues marked with a * may have inaccurate shift predictions.