NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7465 8.0232 122.2807 51.0148 20.5235 176.3973 3 P 4.4549 0.0000 0.0000 61.8946 31.9821 175.4008 4 K 4.2559 9.1437 123.2841 59.6422 33.5721 177.1421 5 A 4.6623 7.6315 118.0684 50.9069 22.7704 175.3631 6 V 4.7172 8.6903 121.4592 61.1510 34.2626 174.2769 7 L 5.1563 9.2149 128.6329 53.6034 43.5412 176.2129 8 V 4.7370 9.7736 116.1935 58.8259 36.2173 175.1654 9 G 3.9703 7.5144 109.8224 45.2556 0.0000 171.7223 10 L 4.4978 7.6549 120.1928 53.2024 42.4329 175.1271 11 P 4.5064 0.0000 0.0000 64.3897 30.1173 177.3520 12 G 4.0255 9.1131 110.6745 45.6608 0.0000 174.8416 13 S 3.9962 8.1250 114.8549 58.9333 63.6648 175.5893 14 G 4.2281 7.8405 109.1486 45.6219 0.0000 175.6287 15 K 3.8495 8.5585 121.0711 59.6968 31.9489 179.2486 16 S 4.1767 7.9698 114.5406 61.7310 62.8970 176.7857 17 T 3.8693 7.7495 117.8613 66.9180 68.4668 176.9656 18 I 3.8915 8.3388 122.2071 64.0084 37.0610 178.8813 19 G 3.5720 7.9656 106.3854 47.7297 0.0000 175.7724 20 R 3.9123 8.1127 121.6065 59.2949 30.1540 178.9099 21 R 3.9918 8.1151 117.8490 58.9660 30.0119 178.8382 22 L 3.9664 8.5737 120.5614 57.9097 42.0965 178.8816 23 A 3.9792 8.1409 120.8467 54.9368 18.4735 179.4321 24 K 3.8394 8.1365 117.9566 59.7052 32.0578 178.8042 25 A 4.0268 7.7699 119.7161 55.0084 18.4285 178.9246 26 L 4.2832 7.9229 114.9043 54.5815 41.9945 177.5492 27 G 3.8596 7.7561 106.4706 46.4835 0.0000 173.3740 28 V 4.4804 7.7579 112.0584 58.9596 35.2556 175.3489 29 G 4.1076 8.4635 107.9694 45.4299 0.0000 172.3219 30 L 5.2373 8.3638 122.8195 53.0159 44.1508 175.2266 31 L 4.5573 9.0187 128.4005 53.3481 44.7673 174.2637 32 D 5.2466 8.5160 127.0187 52.8591 42.5087 176.8799 33 T 3.8659 8.7353 118.0120 65.1904 68.5196 176.1004 34 D 4.4264 8.1977 120.9663 57.2615 40.8881 178.7110 35 V 3.6038 8.2363 118.4519 66.0067 31.5449 177.9319 36 A 3.9735 8.2191 120.3206 54.8298 18.1121 179.7602 37 I 3.6957 7.4828 118.2791 64.5349 37.2581 178.3456 38 E 4.6905 8.1407 120.7566 59.0640 29.0174 179.4746 39 Q 3.9931 8.2228 117.7972 58.7550 28.8782 178.2155 40 R 4.0508 7.9936 119.4171 58.6026 30.3972 177.6146 41 T 4.4307 8.1058 107.2697 60.4913 69.3818 176.7905 42 G 3.9308 8.3021 108.8700 46.3289 0.0000 174.1601 43 R 4.4495 7.8052 119.7467 54.5869 31.4096 176.4974 44 S 4.7617 8.3025 115.8785 57.7497 64.3899 175.2003 45 I 3.8277 8.7841 120.9268 65.1059 36.7638 177.7991 46 A 4.0552 8.3001 120.4568 55.4845 18.0318 178.8488 47 D 4.4098 8.1462 115.7717 57.6356 41.1304 179.8072 48 I 3.6997 7.5125 119.6740 65.1022 37.1906 177.8787 49 F 4.0836 8.2137 118.3888 59.7928 38.3835 177.3573 50 A 4.0107 8.8355 122.2427 56.3759 18.6055 179.2339 51 T 3.9073 8.6314 114.0515 66.0418 68.2474 175.6179 52 D 4.2919 7.5701 127.7711 55.7206 41.7387 178.0647 53 G 4.0460 8.4814 107.2309 44.0179 0.0000 173.1377 54 E 3.8740 9.2389 114.0768 60.2095 29.4951 180.9991 55 Q 3.7182 8.5146 120.3028 59.2595 30.9882 180.3627 56 E 3.9343 8.0247 119.8174 58.6127 29.4988 178.2224 57 F 3.8814 8.6978 121.1071 61.2110 39.4658 176.9680 58 R 3.7509 8.2744 117.0596 59.6520 29.9833 178.8050 59 R 3.8701 7.9128 117.9915 59.3892 30.0035 178.7547 60 I 3.5837 7.3589 119.3089 64.1388 37.1975 177.9216 61 E 3.5854 8.1935 120.8552 59.2236 29.4744 178.5017 62 E 3.8947 8.5894 119.5886 59.1865 29.5081 178.2150 63 D 4.2611 7.8342 118.0032 57.3376 41.2116 178.5137 64 V 3.5331 7.7990 118.8526 65.7794 31.4900 178.1739 65 V 3.5272 8.0764 118.4189 66.0956 31.2848 178.1545 66 R 3.8994 8.1482 117.6473 59.2667 29.9295 178.9655 67 A 3.9749 7.8271 120.1669 55.0476 18.3006 179.5754 68 A 3.9603 8.2109 119.4578 55.3618 17.9902 179.8856 69 L 3.8594 8.4570 117.6104 57.3813 41.3366 179.3811 70 A 4.2137 7.4734 119.9011 54.3059 19.3136 178.4993 71 D 4.6060 8.4527 115.8152 54.6785 41.6738 176.4860 72 H 4.6141 8.0764 120.0845 55.5776 30.3921 174.2847 73 D 4.9067 7.9453 125.1140 52.8220 41.6226 177.4765 74 G 4.1161 7.0336 111.4769 46.3803 0.0000 174.2289 75 V 4.8249 9.3071 125.7750 61.0604 33.7788 174.0594 76 L 5.1817 8.8616 129.3951 53.4356 44.9106 174.8759 77 S 5.1118 8.8614 122.8414 56.7581 64.9163 173.1108 78 L 4.6459 8.5434 128.1130 53.6769 43.0361 176.8757 79 G 3.8794 9.0689 115.3845 45.5748 0.0000 174.5604 80 G 3.9333 8.9899 111.9252 48.0731 0.0000 174.2957 81 G 4.0066 8.1092 105.8764 45.0020 0.0000 174.9547 82 A 4.6044 8.2474 124.0685 54.7459 18.4529 180.5139 83 V 3.8261 7.7797 107.4933 63.7996 31.7150 177.4191 84 T 3.9461 7.6575 109.4728 63.3490 69.1612 174.6424 85 S 4.5294 7.9999 120.3529 56.8723 63.6018 173.1125 86 P 4.3636 0.0000 0.0000 65.6889 31.0344 178.8136 87 G 4.0865 8.0329 105.3246 47.1061 0.0000 175.8574 88 V 3.5777 7.7793 120.3852 66.0574 31.4262 178.3833 89 R 3.9477 7.9843 115.7339 59.1342 29.7009 178.5193 90 A 4.1156 8.2453 120.5077 55.1400 18.2188 179.6096 91 A 4.0181 7.8265 118.0816 55.1368 18.5989 179.5516 92 L 4.2064 8.1170 117.4342 56.1202 41.5681 177.2643 93 A 4.0636 7.0199 121.1571 54.1846 18.5393 176.7355 94 G 4.0152 9.0658 111.1487 45.8990 0.0000 173.5914 95 H 4.4856 7.9068 116.0194 55.4293 29.6831 174.8096 96 T 4.3549 8.3234 117.6196 62.9580 69.5993 174.2734 97 V 4.6919 8.8643 127.9093 61.1109 34.1924 174.3345 98 V 4.6365 9.0486 129.4587 61.7225 33.2310 173.8959 99 Y 5.0619 9.3312 130.7223 56.2899 39.9375 174.6380 100 L 4.5467 8.6311 128.7532 54.1841 42.0916 176.6953 101 E 4.0246 8.7633 125.0997 55.5028 31.0650 175.7773 102 I 4.8826 7.9059 122.3178 59.4528 41.3879 174.6372 103 S 4.4402 9.3734 123.1042 57.6998 64.0316 175.2567 104 A 4.0687 8.6417 122.5665 55.1674 18.2666 179.8143 105 A 3.8163 7.8767 118.8707 55.3003 18.5352 179.3567 106 E 4.0221 8.0240 117.6183 59.0232 29.4416 178.9609 107 G 3.7896 8.3175 107.5511 47.2331 0.0000 176.0802 108 V 3.2296 6.8905 120.5638 64.0263 31.5573 178.1830 109 R 4.0728 7.3150 117.3712 58.5534 29.7735 178.8694 110 R 4.0034 7.8515 117.6143 58.5212 30.3422 177.9933 111 T 4.4564 7.6148 107.8808 62.0464 69.5138 176.4415 112 G 4.0049 7.5538 107.8706 46.1881 0.0000 174.7412 113 G 3.7520 8.3569 109.6813 45.6829 0.0000 174.3970 114 N 4.2508 8.1491 117.6011 55.0873 36.7973 176.7063 *115 T 4.1585 7.3692 105.7278 61.2333 67.7286 176.6025 116 V 3.2627 8.0310 124.9743 63.9115 29.4737 170.6590 117 R 4.5171 7.4605 121.4060 52.2248 30.2784 174.3801 118 P 4.0905 0.0000 0.0000 66.0259 31.7036 177.9225 119 L 4.1657 7.6775 112.8468 55.6849 41.6792 177.6750 120 L 4.7762 7.7340 116.9731 53.0751 42.0739 176.0786 121 A 4.1589 7.8160 121.4902 51.9736 19.6282 178.2529 122 G 3.8909 8.8663 109.0188 48.0163 0.0000 172.8319 123 P 4.0802 0.0000 0.0000 63.9536 31.8495 176.3721 124 D 4.3169 8.7215 119.8542 54.1911 38.0934 174.4115 125 R 3.9720 7.7393 124.5849 59.7854 30.6577 178.1998 126 A 4.0052 7.9845 120.2265 55.1788 18.5378 179.1181 127 E 3.9175 8.1393 117.2271 59.5082 29.8534 179.0676 128 K 4.0418 7.9742 118.0978 59.5334 32.0046 178.8001 129 Y 3.9672 8.6298 120.3661 60.6595 38.7115 178.0401 130 R 4.0977 8.4341 118.9642 58.9922 30.2396 178.9527 131 A 3.9650 7.9906 120.5689 55.0394 18.3498 179.3174 132 L 3.8266 7.9062 118.9072 58.4433 41.9703 178.9936 133 M 3.9826 8.0697 117.8512 58.6458 32.0382 178.1289 134 A 4.0129 7.7979 119.6733 54.7552 18.5235 179.2329 135 K 3.9894 7.7159 117.2772 59.4054 32.6947 178.6832 136 R 3.8360 8.2059 117.8505 57.7705 30.3737 178.3591 137 A 4.1496 8.1529 121.3213 55.2116 18.2483 178.0031 138 P 4.2056 0.0000 0.0000 65.5597 31.3858 178.9207 139 L 3.8903 7.4752 117.5195 57.7359 41.6997 178.8040 140 Y 4.0391 7.1964 116.6613 61.1384 37.4441 178.8759 141 R 3.9868 7.6122 117.7142 59.0576 30.1584 178.9082 142 R 4.0169 7.4153 117.6514 59.3870 30.3055 178.4516 143 V 3.9289 7.4738 108.7452 61.1914 32.2406 176.4237 144 A 4.4000 7.4591 123.0404 52.3294 18.7701 177.2629 145 T 4.5320 8.7344 112.4832 62.1960 70.9177 174.6399 146 M 4.7733 7.9097 122.1217 54.0085 35.6556 173.4981 147 R 5.0167 8.8038 125.1657 54.5468 32.4082 175.6634 148 V 4.2421 8.5470 124.1757 60.8203 34.3755 174.0759 149 D 4.6438 8.7144 128.3924 54.2421 41.5663 175.5669 150 T 4.3853 8.5043 116.3253 61.3446 69.6424 176.0429 151 N 4.3119 8.3467 120.7288 56.6665 38.5152 176.1460 152 R 4.4865 7.8461 112.0643 55.7681 30.9314 175.7544 153 R 4.4802 7.2727 117.1984 54.5230 31.5462 176.8767 154 N 4.6186 8.4260 120.3636 51.8960 39.6288 174.1232 155 P 4.3211 0.0000 0.0000 66.0994 31.2639 179.1639 156 G 3.5623 8.0529 103.5556 47.7107 0.0000 175.5307 157 A 4.0046 8.4845 123.3051 54.6804 18.3683 179.9693 158 V 3.4745 7.8004 116.8868 66.0970 31.5772 178.3078 159 V 3.5995 7.8909 118.0170 66.3155 31.3902 178.2317 160 R 3.9101 8.3072 117.9571 59.3096 29.6143 178.4975 161 H 4.0892 8.2650 117.4926 59.2889 30.1104 177.1632 162 I 3.8572 7.8860 121.3751 64.5514 36.5404 178.1960 163 L 3.9537 8.1469 120.0063 58.3457 41.2317 180.0127 164 S 4.2040 8.0845 113.7837 60.6796 62.8158 175.8154 165 R 4.4325 7.6769 118.2440 55.8436 30.3808 176.3221 166 L 4.2024 7.4614 123.9956 54.9851 41.7174 176.5948 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 2 A 8.02 4.75 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 3 P 0.00 4.45 0.00 2.15 2.12 0.00 3.70 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 2.00 2.40 0.00 4 K 9.14 4.26 0.00 1.62 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.54 7.81 5 A 7.63 4.66 1.21 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 0.00 0.00 6 V 8.69 4.72 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 0.86 0.00 0.00 0.91 0.00 0.00 7 L 9.21 5.16 0.00 1.60 1.57 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.77 4.74 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 0.77 0.00 0.00 0.93 0.00 0.00 9 G 7.51 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 10 L 7.65 4.50 0.00 1.82 1.51 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.51 0.00 2.17 2.06 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 12 G 9.11 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 13 S 8.12 4.00 0.00 4.14 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 0.00 14 G 7.84 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 0.00 0.00 0.00 0.00 15 K 8.56 3.85 0.00 1.82 1.90 0.00 1.81 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.53 7.81 16 S 7.97 4.18 0.00 3.88 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 17 T 7.75 3.87 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 18 I 8.34 3.89 1.98 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 1.58 0.79 0.91 0.00 0.00 19 G 7.97 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 20 R 8.11 3.91 0.00 2.02 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 R 8.12 3.99 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 22 L 8.57 3.97 0.00 1.77 1.74 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.14 3.98 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 24 K 8.14 3.84 0.00 1.98 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 A 7.77 4.03 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 26 L 7.92 4.28 0.00 1.65 1.72 0.92 0.99 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 27 G 7.76 3.86 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 0.00 0.00 0.00 28 V 7.76 4.48 2.06 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 0.75 0.00 0.00 1.01 0.00 0.00 29 G 8.46 4.11 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 0.00 0.00 0.00 30 L 8.36 5.24 0.00 1.65 1.57 1.00 0.89 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 31 L 9.02 4.56 0.00 1.10 1.25 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.52 5.25 0.00 2.76 2.52 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 33 T 8.74 3.87 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 1.26 0.00 0.00 34 D 8.20 4.43 0.00 3.03 2.85 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 35 V 8.24 3.60 2.24 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 1.11 0.00 0.00 1.01 0.00 0.00 36 A 8.22 3.97 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 37 I 7.48 3.70 2.11 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.85 0.00 0.00 38 E 8.14 4.69 0.00 2.05 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 2.39 2.50 0.00 39 Q 8.22 3.99 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 40 R 7.99 4.05 0.00 1.83 2.12 0.00 3.16 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 41 T 8.11 4.43 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 42 G 8.30 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 43 R 7.81 4.45 0.00 1.89 1.87 0.00 3.14 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 44 S 8.30 4.76 0.00 4.04 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 45 I 8.78 3.83 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.94 1.06 0.00 0.00 46 A 8.30 4.06 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 47 D 8.15 4.41 0.00 2.68 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 48 I 7.51 3.70 2.00 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 1.55 0.98 1.02 0.00 0.00 49 F 8.21 4.08 0.00 3.20 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.84 4.01 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 51 T 8.63 3.91 4.36 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 1.22 0.00 0.00 52 D 7.57 4.29 0.00 2.76 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 53 G 8.48 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 54 E 9.24 3.87 0.00 2.10 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 2.56 2.37 0.00 55 Q 8.51 3.72 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 56 E 8.02 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 57 F 8.70 3.88 0.00 2.60 2.85 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 58 R 8.27 3.75 0.00 1.90 2.03 0.00 3.55 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.78 0.00 59 R 7.91 3.87 0.00 1.99 2.07 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 60 I 7.36 3.58 1.70 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 1.30 0.52 0.70 0.00 0.00 61 E 8.19 3.59 0.00 1.16 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 2.21 2.18 0.00 62 E 8.59 3.89 0.00 2.05 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 2.29 0.00 63 D 7.83 4.26 0.00 3.00 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 64 V 7.80 3.53 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 0.96 0.00 0.00 0.91 0.00 0.00 65 V 8.08 3.53 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 0.98 0.00 0.00 0.98 0.00 0.00 66 R 8.15 3.90 0.00 1.87 1.95 0.00 3.16 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 1.64 1.76 0.00 67 A 7.83 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.21 3.96 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 69 L 8.46 3.86 0.00 1.78 1.64 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.47 4.21 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 71 D 8.45 4.61 0.00 2.62 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 72 H 8.08 4.61 0.00 3.03 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.95 4.91 0.00 2.53 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 74 G 7.03 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 0.00 0.00 0.00 0.00 75 V 9.31 4.82 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 0.93 0.00 0.00 0.98 0.00 0.00 76 L 8.86 5.18 0.00 1.82 1.49 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.86 5.11 0.00 3.81 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 78 L 8.54 4.65 0.00 1.81 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.07 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 80 G 8.99 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 81 G 8.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.25 4.60 1.44 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 0.00 0.00 83 V 7.78 3.83 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 0.86 0.00 0.00 0.75 0.00 0.00 84 T 7.66 3.95 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 1.18 0.00 0.00 85 S 8.00 4.53 0.00 4.04 3.83 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 86 P 0.00 4.36 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 87 G 8.03 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 88 V 7.78 3.58 2.35 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 1.03 0.00 0.00 0.94 0.00 0.00 89 R 7.98 3.95 0.00 1.93 1.98 0.00 3.23 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 90 A 8.25 4.12 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 91 A 7.83 4.02 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 92 L 8.12 4.21 0.00 1.91 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.02 4.06 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 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0.00 0.00 0.00 1.94 2.08 0.00 119 L 7.68 4.17 0.00 1.57 1.62 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.73 4.78 0.00 1.73 1.63 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.82 4.16 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 0.00 122 G 8.87 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 0.00 0.00 0.00 123 P 0.00 4.08 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 124 D 8.72 4.32 0.00 3.00 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 0.00 125 R 7.74 3.97 0.00 1.89 2.06 0.00 3.28 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 126 A 7.98 4.01 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 0.00 127 E 8.14 3.92 0.00 2.06 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 0.00 2.39 2.42 0.00 128 K 7.97 4.04 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.68 7.81 129 Y 8.63 3.97 0.00 3.11 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 0.00 130 R 8.43 4.10 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 131 A 7.99 3.96 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 0.00 132 L 7.91 3.83 0.00 1.79 1.60 0.84 0.44 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 0.00 133 M 8.07 3.98 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 134 A 7.80 4.01 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 0.00 135 K 7.72 3.99 0.00 1.88 1.94 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 136 R 8.21 3.84 0.00 1.85 1.22 0.00 3.20 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 137 A 8.15 4.15 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 0.00 138 P 0.00 4.21 0.00 2.09 2.08 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 139 L 7.48 3.89 0.00 1.38 1.47 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.20 4.04 0.00 2.02 1.43 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 0.00 141 R 7.61 3.99 0.00 1.94 2.05 0.00 3.27 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 142 R 7.42 4.02 0.00 1.87 2.08 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 143 V 7.47 3.93 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 0.78 0.00 0.00 1.05 0.00 0.00 144 A 7.46 4.40 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 0.00 145 T 8.73 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 146 M 7.91 4.77 0.00 2.10 1.92 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 2.59 2.61 0.00 147 R 8.80 5.02 0.00 1.75 2.00 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 148 V 8.55 4.24 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 0.98 0.00 0.00 149 D 8.71 4.64 0.00 2.60 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 0.00 150 T 8.50 4.39 4.20 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 1.20 0.00 0.00 151 N 8.35 4.31 0.00 2.85 2.91 0.00 0.00 6.78 7.13 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 0.00 152 R 7.85 4.49 0.00 1.75 1.90 0.00 3.18 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 153 R 7.27 4.48 0.00 1.82 1.82 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 154 N 8.43 4.62 0.00 2.98 2.93 0.00 0.00 6.24 7.76 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 0.00 155 P 0.00 4.32 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 156 G 8.05 3.56 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 0.00 157 A 8.48 4.00 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 0.00 158 V 7.80 3.47 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 0.97 0.00 0.00 0.92 0.00 0.00 159 V 7.89 3.60 2.24 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 1.07 0.00 0.00 0.97 0.00 0.00 160 R 8.31 3.91 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 161 H 8.27 4.09 0.00 3.21 3.54 0.00 5.95 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 0.00 162 I 7.89 3.86 2.03 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 1.57 0.64 0.93 0.00 0.00 163 L 8.15 3.95 0.00 1.83 1.74 0.92 1.18 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 0.00 164 S 8.08 4.20 0.00 3.97 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 0.00 165 R 7.68 4.43 0.00 1.73 1.93 0.00 2.97 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 166 L 7.46 4.20 0.00 1.66 1.58 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.