NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2762 8.1733 120.0055 57.0731 34.2932 177.1448 6 Q 4.0181 7.7750 118.9526 56.7217 28.4490 176.7143 7 P 4.2656 0.0000 0.0000 65.8578 32.1196 177.8069 8 F 3.8937 8.3225 120.1209 61.0564 39.2268 176.5297 9 E 4.0663 9.2022 119.8678 59.3296 29.4790 178.7548 10 R 3.8863 7.8359 118.6105 59.4619 30.1862 178.4953 11 I 3.6611 7.8330 119.5967 64.3569 37.0451 178.1912 12 L 3.9371 7.8989 121.1234 58.0669 41.8305 178.7733 13 R 3.9255 8.4579 119.1237 59.7164 29.8821 178.3998 14 E 4.0580 8.3917 118.2233 59.2438 29.3714 179.2458 15 I 3.7518 7.8379 119.8980 64.6826 37.2552 178.0244 16 C 4.0857 8.3069 117.5057 62.9464 28.0196 175.9976 17 F 4.1033 8.5016 122.1194 61.7638 38.9072 177.1192 18 M 3.9607 8.6156 118.8012 58.3013 31.7663 179.1892 19 V 3.7090 8.1597 119.5877 64.4466 31.5394 178.3813 20 K 3.7741 7.8964 120.2592 59.3688 31.8964 178.9469 21 V 3.2801 7.0034 117.0647 65.6547 31.7673 177.0446 22 E 3.8252 8.0006 119.3038 59.3370 29.2196 179.0896 23 G 3.5860 7.7901 105.3888 47.8514 0.0000 175.2008 24 R 3.8913 7.7229 118.4398 56.9496 29.9361 178.7791 25 K 3.9589 7.6453 119.1236 59.2579 31.9181 179.3565 26 V 3.7276 7.5614 112.3446 63.7852 31.5637 178.1116 27 L 4.3874 7.7357 118.4776 56.8718 41.1333 179.2332 28 R 3.9449 7.4643 118.2909 59.2136 30.1319 177.8081 29 D 4.4426 7.6574 115.1008 55.1264 41.1049 177.4356 30 F 4.7831 7.8333 117.4544 56.2584 40.3593 176.2485 31 G 3.9517 8.0789 104.7956 46.3689 0.0000 172.9207 32 I 4.2581 7.7891 120.3517 60.1428 38.1628 176.7880 33 T 4.3326 8.7236 116.3460 60.1566 71.1675 174.0626 34 P 4.2704 0.0000 0.0000 65.9837 31.3883 178.7634 35 A 4.0289 7.9937 118.6796 55.3674 18.3976 179.4763 36 Q 3.9539 7.8345 116.0628 59.0859 28.7569 178.9453 37 F 4.0932 8.5245 122.0796 61.1596 39.3860 176.9316 38 D 4.2464 8.3440 118.6812 57.3015 40.7003 178.7312 39 I 3.6186 7.6043 120.0189 64.4451 37.1127 178.2383 40 L 3.8963 7.7352 119.5230 58.0330 41.5315 179.5603 41 Q 3.6275 7.9908 119.5118 58.7897 28.9263 178.1424 42 K 4.0291 7.9723 120.7034 59.6609 32.1841 178.9303 43 I 3.9947 7.6453 121.1800 63.9013 36.8012 177.5390 44 Y 3.8479 7.8675 119.4699 60.8513 38.6322 178.0265 45 F 4.7194 7.9459 115.5230 58.7453 39.3925 176.1728 46 E 4.4932 8.2808 115.1145 55.2166 31.2161 176.3519 47 G 3.8366 8.5696 105.8277 43.1183 0.0000 170.1881 48 P 5.1988 0.0000 0.0000 62.4988 31.7418 176.3813 49 K 5.0407 8.7504 121.3148 54.6552 36.4060 175.7870 50 R 4.0456 8.8520 122.0706 55.0716 31.2001 175.8580 51 P 4.2383 0.0000 0.0000 66.1346 31.2698 179.2403 52 G 3.5737 7.8523 103.6675 47.7739 0.0000 175.4930 53 E 4.0314 7.9834 120.6685 59.1746 29.4364 179.4202 54 L 4.0810 7.8244 118.6578 57.6706 41.4733 179.4761 55 S 4.1544 8.1573 115.4311 61.3111 62.4950 176.8006 56 V 3.6276 7.5836 120.2027 65.7973 31.3789 177.4065 57 L 4.0985 7.5395 118.5613 58.4998 42.0600 178.7776 58 L 4.2248 7.8974 117.0627 55.0212 42.0296 176.9860 59 G 3.7778 8.4293 106.3419 47.0267 0.0000 173.0561 60 V 4.4830 7.4873 109.8848 58.4441 36.1109 175.6514 61 A 4.2021 8.1712 123.1339 51.7370 18.9973 178.5416 62 K 3.9879 9.0027 122.7121 58.9427 32.1056 179.3962 63 S 4.1613 8.0745 114.0811 61.7474 62.8090 176.5789 64 T 3.8599 7.8485 118.9294 66.2647 68.1286 176.7343 65 V 3.5958 7.7694 119.6162 66.3343 31.5342 177.8892 66 T 4.0063 8.3795 115.9203 66.6388 68.1923 176.7166 67 G 3.6475 7.9221 106.9340 47.8757 0.0000 175.5692 68 L 4.0275 8.0522 121.8649 57.4814 41.6251 179.9742 69 V 3.6133 8.2023 118.4145 65.7417 31.5243 177.6057 70 K 3.8043 8.4026 120.0071 59.8607 31.8366 178.5141 71 R 3.9286 7.8171 118.5219 59.4915 29.9829 178.4245 72 L 4.2199 7.9039 118.4261 57.8850 41.1557 179.4023 73 E 4.4270 9.0303 120.1154 58.9749 29.2026 179.3058 74 A 4.0417 7.9200 119.6973 55.0026 18.5716 178.7148 75 D 4.5759 8.4123 115.3804 54.9423 41.2406 177.5419 76 G 3.8488 7.6877 107.4923 45.2895 0.0000 173.8580 77 Y 4.5188 8.2750 118.9697 59.3400 39.2769 175.4973 78 L 5.3119 7.9278 117.2576 53.3312 46.7867 175.4295 79 T 5.0142 9.2966 115.2096 60.8540 71.7477 172.1011 80 R 5.2793 8.5299 120.4893 54.7107 33.3278 175.6660 81 T 4.7668 8.5053 119.2998 61.1701 70.7700 172.6220 82 P 4.3335 0.0000 0.0000 62.8740 31.6194 175.1757 83 D 4.4280 9.2116 121.4132 58.9233 41.7472 177.3157 *88 R 4.3834 7.4022 119.6647 55.9902 30.3713 173.8096 89 A 5.0237 7.8924 122.7515 50.2243 23.2899 174.6256 90 Y 5.3395 7.8971 116.3269 55.9468 41.5073 174.0060 91 F 4.9303 9.1289 118.4652 56.0177 42.6774 174.4664 92 L 5.4271 9.3080 121.2162 53.1071 44.0981 176.0291 93 V 4.7685 9.0009 123.7547 59.4779 34.0443 175.1305 94 I 4.3744 8.5742 125.6695 61.3715 38.8383 175.1601 95 T 4.4510 8.4260 118.7141 60.1634 71.1496 175.5367 96 R 4.1738 8.5795 122.3011 58.8784 29.6002 178.2622 97 K 4.0878 7.9944 118.3820 59.2438 32.4748 178.4873 98 G 4.0205 8.0835 105.6906 48.1437 0.0000 175.4879 99 E 4.2284 8.5475 121.4089 59.2354 29.3668 179.3663 100 E 4.0295 8.3369 118.6987 58.9270 29.4180 179.4916 101 V 3.0637 7.4410 118.6478 65.9380 31.5950 178.1535 102 I 3.6894 7.4506 118.8841 64.4768 36.8118 178.2159 103 E 4.0772 8.0021 119.3448 59.1078 29.2223 179.5355 104 K 3.9753 8.3535 119.0690 59.4473 32.1623 179.4957 105 V 3.5366 7.5617 117.9728 66.0266 31.3865 178.1013 106 I 3.7417 8.2146 119.9408 64.4209 36.9399 177.9672 107 E 3.9517 8.4926 120.4301 59.3481 29.4132 178.9123 108 R 3.9574 8.1840 118.7421 59.3995 30.1103 178.7377 109 R 4.0255 8.1148 117.9652 59.2796 29.9829 178.8748 110 E 4.0130 8.6060 118.7636 59.6441 29.5391 179.2708 111 N 4.3850 8.7250 116.7890 55.9608 38.4946 177.3978 112 F 4.4018 8.2533 122.5219 61.4564 39.4973 177.3867 113 I 3.5704 8.0707 119.5840 63.9817 36.7276 178.0490 114 E 3.9643 8.3090 121.9654 58.6562 29.6137 178.9426 115 K 3.9067 7.9140 118.3496 59.6301 32.1937 179.4181 116 I 3.5918 7.4951 120.1313 64.5585 37.1212 178.7113 117 T 3.9870 8.2158 112.4067 63.9776 68.3668 176.6025 118 S 4.1583 8.0417 115.5799 61.5157 62.5068 175.6606 119 D 4.4738 7.7411 119.9446 57.3178 40.5773 178.4692 120 L 4.1428 7.5777 118.4921 54.9781 42.0450 178.4057 121 G 4.0581 7.5621 103.6603 45.0458 0.0000 174.5560 122 K 3.9334 8.5589 118.6452 59.1974 32.0386 179.4911 123 E 3.9090 8.0448 119.0333 59.1668 29.7558 178.5243 124 K 3.8864 8.0594 118.0355 59.7673 31.7899 179.1360 125 S 4.1161 8.2407 115.2192 61.8628 62.9079 177.0560 126 S 4.2195 8.2021 117.6789 61.4283 62.5299 176.9956 127 K 4.0743 8.1525 121.1032 59.6532 31.8852 179.3464 128 I 3.7612 8.2120 120.4756 64.4387 37.0319 178.2228 129 L 3.9927 8.1261 121.0240 58.2084 41.7797 178.7432 130 D 4.3331 7.9676 118.4926 57.7722 40.7617 178.4921 131 Y 3.9838 8.1874 116.9905 60.6744 37.8253 178.2911 132 L 4.0895 8.1782 120.3975 57.6104 41.7239 179.4977 133 K 3.9692 8.2075 118.5665 59.4502 31.9685 179.0393 134 E 3.9410 7.9160 119.7513 58.9802 29.4975 178.4286 135 L 3.9954 8.1797 120.5924 58.1418 42.1114 178.9712 136 K 4.0309 8.3618 119.7139 59.2977 32.1328 179.0631 137 G 3.5860 8.1819 106.0870 47.8698 0.0000 175.9103 138 V 3.6255 7.8176 121.0929 65.6754 31.3041 177.8009 139 M 4.0051 8.0554 117.2418 58.5586 32.5333 177.2744 140 E 4.1115 8.5102 119.9221 59.5872 29.5538 178.8435 141 R 3.9581 7.8711 117.1579 59.2339 30.2086 177.4746 142 N 4.8057 7.8643 113.7665 52.9257 38.9526 174.7899 143 F 4.5921 7.5698 123.0527 57.1943 39.4033 175.3226 144 S 4.4353 8.0176 124.2311 57.8849 64.0525 174.3814 145 K 3.8852 7.9474 121.8235 56.9768 31.8268 175.5341 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 5 K 8.17 4.28 0.00 1.95 2.10 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 6 Q 7.78 4.02 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 7 P 0.00 4.27 0.00 2.28 2.32 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 8 F 8.32 3.89 0.00 3.20 3.15 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 9 E 9.20 4.07 0.00 2.15 2.01 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 2.37 2.51 0.00 10 R 7.84 3.89 0.00 1.92 2.05 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 11 I 7.83 3.66 1.73 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 1.35 0.46 0.78 0.00 0.00 12 L 7.90 3.94 0.00 1.93 1.89 0.95 0.99 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 13 R 8.46 3.93 0.00 2.19 2.12 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 14 E 8.39 4.06 0.00 2.18 2.03 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 2.59 2.49 0.00 15 I 7.84 3.75 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.93 0.00 0.00 16 C 8.31 4.09 0.00 3.16 3.05 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 17 F 8.50 4.10 0.00 3.19 3.29 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 18 M 8.62 3.96 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.68 0.00 19 V 8.16 3.71 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 0.89 0.00 0.00 1.03 0.00 0.00 20 K 7.90 3.77 0.00 1.95 1.79 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 21 V 7.00 3.28 1.57 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 0.62 0.00 0.00 0.07 0.00 0.00 22 E 8.00 3.83 0.00 1.44 1.71 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 1.47 2.02 0.00 23 G 7.79 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 24 R 7.72 3.89 0.00 1.68 1.73 0.00 3.00 0.00 0.00 3.03 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.47 0.00 25 K 7.65 3.96 0.00 1.85 1.77 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.62 7.81 26 V 7.56 3.73 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 1.05 0.00 0.00 1.03 0.00 0.00 27 L 7.74 4.39 0.00 1.71 1.67 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.46 3.94 0.00 1.80 1.96 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 29 D 7.66 4.44 0.00 2.00 2.37 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 30 F 7.83 4.78 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.08 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 32 I 7.79 4.26 1.81 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.85 0.00 0.00 33 T 8.72 4.33 4.26 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 0.00 0.00 1.22 0.00 0.00 34 P 0.00 4.27 0.00 2.20 2.19 0.00 3.61 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 2.12 2.16 0.00 35 A 7.99 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 36 Q 7.83 3.95 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 F 8.52 4.09 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.34 4.25 0.00 2.91 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 39 I 7.60 3.62 2.00 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 1.52 1.10 0.91 0.00 0.00 40 L 7.74 3.90 0.00 1.57 1.54 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.99 3.63 0.00 1.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 42 K 7.97 4.03 0.00 1.99 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 43 I 7.65 3.99 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 1.00 0.00 0.00 44 Y 7.87 3.85 0.00 2.82 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 45 F 7.95 4.72 0.00 3.26 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 46 E 8.28 4.49 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 47 G 8.57 3.84 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 0.00 0.00 0.00 48 P 0.00 5.20 0.00 1.70 2.07 0.00 3.59 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 49 K 8.75 5.04 0.00 1.68 1.68 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.73 1.42 7.81 50 R 8.85 4.05 0.00 1.59 1.50 0.00 2.97 0.00 0.00 2.85 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.18 0.00 51 P 0.00 4.24 0.00 1.97 2.05 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 52 G 7.85 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 E 7.98 4.03 0.00 2.13 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 2.32 2.31 0.00 54 L 7.82 4.08 0.00 1.80 1.71 0.94 0.96 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 55 S 8.16 4.15 0.00 4.00 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 56 V 7.58 3.63 2.20 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 0.80 0.00 0.00 0.96 0.00 0.00 57 L 7.54 4.10 0.00 1.70 1.88 0.94 1.08 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 58 L 7.90 4.22 0.00 1.69 1.72 0.93 0.93 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 59 G 8.43 3.78 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 0.00 0.00 0.00 60 V 7.49 4.48 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 0.77 0.00 0.00 0.94 0.00 0.00 61 A 8.17 4.20 1.26 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 0.00 0.00 0.00 0.00 0.00 62 K 9.00 3.99 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.36 7.81 63 S 8.07 4.16 0.00 4.09 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 64 T 7.85 3.86 4.38 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 1.22 0.00 0.00 65 V 7.77 3.60 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 1.17 0.00 0.00 0.93 0.00 0.00 66 T 8.38 4.01 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 67 G 7.92 3.65 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 0.00 68 L 8.05 4.03 0.00 1.87 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.20 3.61 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 1.13 0.00 0.00 0.98 0.00 0.00 70 K 8.40 3.80 0.00 1.98 2.08 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 71 R 7.82 3.93 0.00 1.95 2.11 0.00 3.25 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 1.67 1.79 0.00 72 L 7.90 4.22 0.00 2.00 1.83 0.95 0.62 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 73 E 9.03 4.43 0.00 2.24 2.01 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 2.54 2.36 0.00 74 A 7.92 4.04 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 75 D 8.41 4.58 0.00 2.99 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 76 G 7.69 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 77 Y 8.28 4.52 0.00 3.07 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 78 L 7.93 5.31 0.00 1.62 1.56 0.98 0.62 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 79 T 9.30 5.01 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 1.30 0.00 0.00 80 R 8.53 5.28 0.00 1.65 1.79 0.00 2.91 0.00 0.00 2.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 81 T 8.51 4.77 4.41 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 1.22 0.00 0.00 82 P 0.00 4.33 0.00 2.13 2.11 0.00 3.85 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 2.03 2.00 0.00 83 D 9.21 4.43 0.00 2.82 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 *88 R 7.40 4.38 0.00 1.80 1.99 0.00 3.22 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 89 A 7.89 5.02 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 90 Y 7.90 5.34 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.13 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 92 L 9.31 5.43 0.00 1.63 1.66 1.00 1.19 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 93 V 9.00 4.77 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 0.84 0.00 0.00 0.93 0.00 0.00 94 I 8.57 4.37 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.89 0.00 0.00 95 T 8.43 4.45 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 1.25 0.00 0.00 96 R 8.58 4.17 0.00 1.86 1.98 0.00 3.39 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 97 K 7.99 4.09 0.00 1.73 1.87 0.00 1.60 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.43 7.81 98 G 8.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.55 4.23 0.00 2.28 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 2.40 2.60 0.00 100 E 8.34 4.03 0.00 2.24 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 0.00 2.38 2.45 0.00 101 V 7.44 3.06 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 0.74 0.00 0.00 0.58 0.00 0.00 102 I 7.45 3.69 0.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.02 -0.03 0.00 0.00 103 E 8.00 4.08 0.00 2.05 2.03 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 2.40 2.60 0.00 104 K 8.35 3.98 0.00 1.94 1.97 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.78 1.91 7.81 105 V 7.56 3.54 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 0.98 0.00 0.00 0.74 0.00 0.00 106 I 8.21 3.74 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 1.51 0.69 0.98 0.00 0.00 107 E 8.49 3.95 0.00 2.13 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 0.00 2.34 2.35 0.00 108 R 8.18 3.96 0.00 1.93 2.01 0.00 3.12 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 1.71 1.63 0.00 109 R 8.11 4.03 0.00 2.11 2.03 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 110 E 8.61 4.01 0.00 2.26 2.03 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 2.37 2.52 0.00 111 N 8.73 4.38 0.00 2.88 2.92 0.00 0.00 6.70 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 0.00 112 F 8.25 4.40 0.00 3.12 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 0.00 113 I 8.07 3.57 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.74 0.88 0.00 0.00 114 E 8.31 3.96 0.00 2.15 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 2.31 2.21 0.00 115 K 7.91 3.91 0.00 2.03 1.84 0.00 1.79 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 116 I 7.50 3.59 1.76 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.75 0.00 0.00 117 T 8.22 3.99 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 1.23 0.00 0.00 118 S 8.04 4.16 0.00 3.91 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 0.00 119 D 7.74 4.47 0.00 2.81 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 0.00 120 L 7.58 4.14 0.00 1.74 1.70 0.91 1.09 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 0.00 121 G 7.56 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 0.00 122 K 8.56 3.93 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 123 E 8.04 3.91 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 2.39 2.40 0.00 124 K 8.06 3.89 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.59 7.81 125 S 8.24 4.12 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.20 4.22 0.00 4.10 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 0.00 127 K 8.15 4.07 0.00 1.99 1.98 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.69 7.81 128 I 8.21 3.76 1.88 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 1.38 0.89 0.91 0.00 0.00 129 L 8.13 3.99 0.00 1.87 1.93 0.93 1.16 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 0.00 130 D 7.97 4.33 0.00 2.93 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 0.00 131 Y 8.19 3.98 0.00 3.05 3.05 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 0.00 132 L 8.18 4.09 0.00 1.93 1.74 0.93 0.78 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 0.00 133 K 8.21 3.97 0.00 2.03 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 134 E 7.92 3.94 0.00 1.89 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 0.00 2.30 2.28 0.00 135 L 8.18 4.00 0.00 2.03 1.94 1.07 0.76 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 0.00 136 K 8.36 4.03 0.00 1.98 1.96 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 137 G 8.18 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 0.00 138 V 7.82 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 139 M 8.06 4.01 0.00 2.14 2.13 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 2.60 2.46 0.00 140 E 8.51 4.11 0.00 2.25 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 2.36 2.38 0.00 141 R 7.87 3.96 0.00 1.88 2.13 0.00 3.31 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 142 N 7.86 4.81 0.00 3.02 2.89 0.00 0.00 6.96 6.83 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 0.00 143 F 7.57 4.59 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.02 4.44 0.00 3.73 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 0.00 145 K 7.95 3.89 0.00 1.43 1.47 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.