NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3879 8.1844 120.6276 54.4710 42.8882 175.8486 1 V 3.7583 8.1389 124.8785 62.2190 32.1768 174.0030 2 K 4.4438 8.9094 125.4494 56.3028 35.7667 174.8626 3 K 4.4499 8.1152 120.9223 54.6111 34.6182 174.6160 4 V 4.8630 8.7756 128.3283 60.9584 34.3366 173.7774 5 L 5.0501 8.7947 129.9552 53.4525 44.2749 174.4899 6 L 5.1787 9.1786 129.2106 53.8473 43.8034 174.8176 7 I 5.1325 8.9258 127.9360 59.7067 39.9763 174.3450 8 N 5.3640 9.5688 124.8239 51.7472 41.2286 175.5750 9 G 4.2039 8.7251 113.0296 43.4142 0.0000 171.2127 10 P 4.3176 0.0000 0.0000 64.6678 31.3945 176.9921 11 N 4.6351 9.8217 118.1975 53.9238 38.5429 176.6903 12 L 3.9836 7.7817 118.3205 57.6096 41.7441 178.8011 13 N 4.2451 8.1769 114.3976 54.9162 37.2105 174.9990 14 L 4.5306 7.9830 118.5937 54.2830 42.6849 175.8472 15 L 4.4847 8.0147 120.9670 54.6818 41.4823 176.3431 16 G 3.8472 7.8771 111.2551 44.4761 0.0000 172.7214 17 T 4.2374 8.3146 123.1641 63.8649 69.4459 177.0015 18 R 3.9568 7.8079 121.1218 58.9696 30.4565 176.7831 *23 Y 4.4571 7.6706 115.8009 56.9970 40.0912 174.7710 24 G 4.0575 7.7333 108.2713 43.9053 0.0000 174.0528 25 T 4.2092 8.1895 109.8417 62.2022 68.2043 174.3179 26 T 4.4124 7.7799 120.1163 63.2974 69.1695 175.0801 27 S 5.3160 8.3472 123.5029 56.3507 65.9453 174.9417 28 L 3.8765 8.1894 122.6706 58.1827 41.7984 178.3855 29 S 4.0318 8.0754 112.6855 61.5257 62.2062 175.8400 30 D 4.3103 7.9726 121.0437 57.4666 40.7177 178.7418 31 I 3.5751 7.4033 119.7450 64.4233 37.1193 178.1857 32 E 3.8933 8.2593 119.5486 59.7564 29.3258 179.6489 33 Q 3.9957 8.1087 117.6183 58.5990 28.6782 178.3763 34 A 3.9634 8.5092 122.1037 55.2177 18.5081 179.6068 35 A 3.9411 7.8161 118.7010 55.2567 18.4871 179.9709 36 I 3.6995 7.6932 118.2619 64.5548 37.2245 178.3091 37 E 3.9477 8.1495 120.1500 59.2295 29.2102 178.3548 38 Q 3.9883 8.2033 118.9219 59.2776 29.4695 178.0446 39 A 4.2444 7.6736 120.5538 54.6840 18.7010 179.0990 40 K 3.8717 7.9324 116.5765 59.6982 31.9354 178.8016 41 L 3.6069 8.5003 120.9547 58.6723 42.0211 179.3004 42 K 3.9551 7.3500 116.2383 57.7156 31.9716 176.0515 43 N 4.8045 9.0540 117.2209 53.4543 39.8500 174.4382 44 N 4.4708 7.7908 115.6388 56.3166 37.2420 176.2257 45 D 4.2215 7.2967 116.6822 55.7626 38.3763 174.2747 46 S 4.9100 7.3737 118.4920 57.8180 65.6090 175.1212 47 E 4.6941 8.8203 121.3760 54.9742 33.3353 173.7596 48 V 4.8549 8.4678 126.1932 61.2434 33.7637 174.4962 49 L 4.7565 8.9758 128.2536 53.5991 43.8504 176.0156 50 V 4.9435 8.2483 114.6144 60.0731 34.3992 174.8876 51 F 4.9780 8.9939 124.1669 57.3896 43.1723 172.7181 52 Q 5.3320 7.0054 123.4741 55.0041 32.0420 173.3599 53 S 4.5038 8.1625 116.3652 57.9611 64.6881 174.5276 54 N 4.5185 8.9429 122.2741 55.3652 39.3769 176.3143 55 T 4.1041 7.8526 115.8995 62.7574 69.1734 174.3539 56 E 3.5815 8.9238 127.2978 59.5133 29.5312 178.9314 57 G 3.6998 7.9119 104.7019 48.0275 0.0000 175.1958 58 F 4.6205 8.1116 119.6691 60.5427 38.9886 177.5751 59 I 3.9272 8.0421 119.3988 64.4579 36.9261 178.4569 60 I 3.5958 7.9980 120.6643 64.6035 37.0245 177.8581 61 D 4.2745 8.6778 119.9992 57.5758 40.5711 179.3617 62 R 3.5114 7.8625 118.6127 59.5166 29.9624 178.2995 63 I 3.6169 7.7547 119.6890 64.9491 36.9502 178.0009 64 H 4.1733 8.2925 116.6406 58.9772 28.6270 177.3641 65 E 3.8732 8.1070 120.6952 59.1682 29.3007 178.6924 66 A 3.9505 8.1685 121.1386 55.0671 18.3859 179.7005 67 K 3.8682 7.7369 116.9971 59.7246 31.9509 179.5127 68 R 3.8725 7.5550 117.6319 58.9752 29.9771 177.4879 69 Q 4.4329 7.7635 115.2581 55.0584 29.1085 176.3773 70 G 3.8880 8.0220 108.3692 45.6285 0.0000 174.1162 71 V 3.6758 7.9449 120.0264 62.9783 31.7060 176.0524 72 G 4.1862 8.7622 113.5475 46.4769 0.0000 173.0057 73 F 4.9312 7.8917 121.6458 56.9014 43.3559 172.6849 74 V 5.0112 8.3572 123.7710 61.1687 34.6625 174.2057 75 V 4.8605 9.1592 128.6754 61.5425 33.2295 174.1210 76 I 4.9824 8.9724 128.9001 59.2824 41.1858 173.5431 77 N 5.3794 9.6097 128.6392 51.0582 39.7427 174.5750 78 A 4.2892 8.7321 127.9862 51.7826 20.0256 178.5708 79 G 3.6757 8.3802 106.1937 45.8148 0.0000 175.8182 80 A 4.0411 8.6841 120.3595 55.9098 18.0944 178.9751 81 Y 4.6196 7.4591 115.1878 60.3495 37.8664 178.6901 82 T 3.9264 8.3442 117.4683 66.2331 68.2630 174.9834 83 H 5.2661 8.4287 115.9252 55.8752 30.3375 175.1710 84 T 4.6972 7.9220 108.3392 60.7480 70.4541 173.0661 85 S 4.5994 8.5391 118.2908 57.0276 61.9891 174.1758 86 V 3.5278 7.7714 128.1398 64.4582 31.4132 177.8676 87 G 3.4801 7.6949 105.4589 47.9403 0.0000 175.6434 88 I 3.6739 7.8270 122.7622 63.7544 36.9748 178.4793 89 R 3.8020 7.4007 118.9898 59.7243 29.8944 178.4474 90 D 4.3424 8.2159 118.1286 56.7619 40.6318 178.7684 91 A 3.9714 7.8962 121.6706 55.1446 18.4584 179.4906 92 L 3.8435 7.8518 117.5325 58.0656 41.4430 179.9473 93 L 4.1603 7.9933 117.8323 57.7906 41.6513 179.5659 94 G 3.7026 8.2081 105.3485 47.4643 0.0000 175.2336 95 T 4.1316 8.1549 110.4153 61.2271 69.5112 174.5260 96 A 3.6547 7.7689 123.2965 53.3243 16.2911 177.3633 97 I 4.4101 7.7397 121.3701 60.3404 38.4123 174.7429 98 P 4.3190 0.0000 0.0000 63.2826 32.2853 175.1833 99 F 5.1022 7.6191 114.8575 55.7518 41.7692 172.7494 100 I 4.9243 8.9160 120.0480 59.5470 40.6527 174.1200 101 E 4.9119 8.8250 127.5528 55.1282 30.6369 174.7666 102 V 4.5187 8.8928 127.2376 61.3530 34.5657 173.8423 103 H 5.0660 8.8417 123.9597 54.0498 31.3073 174.1440 104 I 3.9276 8.7875 125.0012 64.4171 37.8182 176.5477 105 T 4.5920 7.7553 108.9562 59.7663 70.8808 173.7294 106 N 4.6075 8.2695 120.0238 52.2336 38.1334 175.4556 107 V 3.5298 8.2054 120.6047 64.5582 31.8517 178.7254 108 H 4.0419 7.9021 115.4913 58.3634 28.6377 176.2209 109 Q 4.1747 8.1571 117.0422 56.9207 28.9147 175.6381 110 R 4.7114 7.3202 117.7112 53.9962 32.8909 175.0940 111 E 3.8418 8.2770 117.0879 56.9458 30.0049 176.5653 112 P 3.1338 0.0000 0.0000 65.2884 30.8360 178.8149 113 F 4.2870 7.8389 112.9339 59.5023 37.5910 176.8216 114 R 3.5607 7.3869 117.5850 57.5034 30.0408 177.7472 115 H 4.3693 7.3960 116.0045 57.2585 29.0402 175.7767 116 Q 4.1836 7.2030 119.6886 55.3966 29.2150 175.3839 117 S 4.9018 8.1844 116.0769 56.8198 65.3492 173.2300 118 Y 4.5214 9.0771 123.7138 59.0569 38.4247 176.9827 119 L 4.6291 8.4609 121.0161 56.8901 41.9611 178.6444 120 S 4.3315 8.4023 116.2386 61.0544 62.6721 176.3804 121 D 4.1929 8.1961 118.8427 55.2836 39.2763 176.6839 122 K 4.3542 7.4035 117.3695 56.2322 33.8309 176.5209 123 A 2.6983 7.6077 121.7854 51.6011 18.8862 177.7739 124 V 3.7906 8.0273 120.5851 65.5870 32.1264 176.2149 125 A 4.6806 7.5843 119.6595 50.2499 23.0476 174.7608 126 V 4.7231 8.2447 118.5879 61.1135 34.1952 174.7152 127 I 4.5875 8.7210 129.1798 59.5840 39.4688 174.4392 128 C 5.0334 8.7265 121.6953 57.8030 31.9475 174.3273 129 G 3.9697 9.4366 112.4824 45.2093 0.0000 173.2228 130 L 4.3270 7.7957 119.6911 54.3931 42.8300 178.5638 131 G 3.9406 7.8902 105.9418 46.1207 0.0000 175.6751 132 V 4.0097 8.4174 110.9559 64.4515 32.1684 177.6638 133 Y 4.4010 8.4759 120.4303 60.3087 38.2815 178.0973 134 G 3.8404 7.9680 106.7321 48.2145 0.0000 175.1097 135 Y 4.1689 7.8953 119.2360 60.9889 37.9043 178.9364 136 T 3.9993 7.8531 115.8319 66.6281 68.6512 176.2150 137 A 3.8089 7.7173 122.7393 55.1990 18.2941 179.6129 138 A 3.9721 7.5970 119.2688 55.1485 18.3565 180.0335 139 I 3.6245 7.9897 118.4503 64.5554 37.0039 178.1379 140 E 3.9208 8.3005 118.5734 59.8044 29.5855 178.8303 141 Y 3.9440 8.1711 118.7671 60.5912 38.9201 177.2909 142 A 2.5849 8.0782 122.0817 55.1415 18.1646 179.1947 143 L 4.2389 7.8766 113.2274 55.7887 41.6209 177.4308 144 N 4.8302 7.6121 115.0311 52.7451 39.9746 174.1084 145 Y 4.0181 7.8830 120.7161 57.1350 39.7110 175.1743 146 Q 4.1373 7.6716 124.7412 56.1948 29.1584 175.2511 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 0 L 8.18 4.39 0.00 1.64 1.69 0.97 0.55 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 1 V 8.14 3.76 2.30 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 0.84 0.00 0.00 1.19 0.00 0.00 2 K 8.91 4.44 0.00 1.72 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.36 7.81 3 K 8.12 4.45 0.00 1.82 1.69 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 V 8.78 4.86 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 1.08 0.00 0.00 0.96 0.00 0.00 5 L 8.79 5.05 0.00 1.85 1.55 1.07 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.18 5.18 0.00 1.83 1.71 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.93 5.13 1.97 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 1.39 0.77 1.08 0.00 0.00 8 N 9.57 5.36 0.00 2.64 2.71 0.00 0.00 6.46 7.45 0.00 0.00 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 G 8.73 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 0.00 0.00 0.00 0.00 10 P 0.00 4.32 0.00 1.94 2.04 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.00 11 N 9.82 4.64 0.00 2.86 3.04 0.00 0.00 6.87 6.70 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 12 L 7.78 3.98 0.00 1.93 1.75 1.08 0.57 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 13 N 8.18 4.25 0.00 2.77 3.14 0.00 0.00 5.92 7.79 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 14 L 7.98 4.53 0.00 1.89 1.70 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.01 4.48 0.00 1.85 1.80 0.99 0.45 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 16 G 7.88 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 17 T 8.31 4.24 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 1.20 0.00 0.00 18 R 7.81 3.96 0.00 1.81 2.03 0.00 3.32 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 *23 Y 7.67 4.46 0.00 3.05 3.01 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 24 G 7.73 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 25 T 8.19 4.21 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 26 T 7.78 4.41 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 1.22 0.00 0.00 27 S 8.35 5.32 0.00 4.02 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 28 L 8.19 3.88 0.00 1.89 1.66 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.08 4.03 0.00 3.89 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 30 D 7.97 4.31 0.00 2.96 2.68 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 0.00 0.00 0.00 0.00 31 I 7.40 3.58 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.09 0.00 0.00 32 E 8.26 3.89 0.00 2.10 1.97 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 2.19 2.53 0.00 33 Q 8.11 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 34 A 8.51 3.96 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 35 A 7.82 3.94 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 36 I 7.69 3.70 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 1.58 0.99 0.92 0.00 0.00 37 E 8.15 3.95 0.00 2.27 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 2.31 2.37 0.00 38 Q 8.20 3.99 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 39 A 7.67 4.24 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 40 K 7.93 3.87 0.00 2.01 1.85 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.68 7.81 41 L 8.50 3.61 0.00 1.69 1.75 0.93 0.70 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 42 K 7.35 3.96 0.00 1.98 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.59 7.81 43 N 9.05 4.80 0.00 2.73 3.17 0.00 0.00 7.22 6.31 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 44 N 7.79 4.47 0.00 2.85 2.85 0.00 0.00 6.24 8.06 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 45 D 7.30 4.22 0.00 2.77 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.37 4.91 0.00 3.94 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 E 8.82 4.69 0.00 2.03 1.74 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 2.22 2.27 0.00 48 V 8.47 4.85 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 0.92 0.00 0.00 0.96 0.00 0.00 49 L 8.98 4.76 0.00 1.66 1.59 0.93 0.84 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 50 V 8.25 4.94 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 8.99 4.98 0.00 3.10 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 52 Q 7.01 5.33 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 53 S 8.16 4.50 0.00 3.81 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 54 N 8.94 4.52 0.00 2.75 2.84 0.00 0.00 7.01 7.54 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 55 T 7.85 4.10 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 0.49 0.00 0.00 56 E 8.92 3.58 0.00 1.16 1.64 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 2.06 1.70 0.00 57 G 7.91 3.70 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 0.00 0.00 0.00 58 F 8.11 4.62 0.00 3.32 3.23 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 59 I 8.04 3.93 2.10 0.00 0.00 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 1.80 0.98 1.01 0.00 0.00 60 I 8.00 3.60 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.74 0.00 0.00 61 D 8.68 4.27 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.86 3.51 0.00 1.30 1.79 0.00 2.75 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 63 I 7.75 3.62 1.98 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 1.46 0.60 0.85 0.00 0.00 64 H 8.29 4.17 0.00 3.33 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.11 3.87 0.00 2.14 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 2.22 2.31 0.00 66 A 8.17 3.95 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 67 K 7.74 3.87 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.43 7.81 68 R 7.56 3.87 0.00 1.73 2.11 0.00 3.23 0.00 0.00 3.41 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 69 Q 7.76 4.43 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.91 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 70 G 8.02 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 71 V 7.94 3.68 2.21 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 0.84 0.00 0.00 0.95 0.00 0.00 72 G 8.76 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 0.00 0.00 0.00 73 F 7.89 4.93 0.00 3.06 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 74 V 8.36 5.01 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 0.94 0.00 0.00 75 V 9.16 4.86 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 1.13 0.00 0.00 1.11 0.00 0.00 76 I 8.97 4.98 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 1.13 1.24 1.02 0.00 0.00 77 N 9.61 5.38 0.00 2.76 2.87 0.00 0.00 6.97 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.73 4.29 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 79 G 8.38 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.68 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.46 4.62 0.00 3.15 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 82 T 8.34 3.93 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 1.31 0.00 0.00 83 H 8.43 5.27 0.00 3.30 3.47 0.00 5.59 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 84 T 7.92 4.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 85 S 8.54 4.60 0.00 3.65 3.94 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 0.00 0.00 0.00 86 V 7.77 3.53 1.76 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 0.80 0.00 0.00 -0.24 0.00 0.00 87 G 7.69 3.48 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 0.00 88 I 7.83 3.67 1.81 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 0.45 0.81 0.00 0.00 89 R 7.40 3.80 0.00 2.23 2.06 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 90 D 8.22 4.34 0.00 3.01 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 91 A 7.90 3.97 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 92 L 7.85 3.84 0.00 1.60 1.60 -0.14 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.99 4.16 0.00 1.63 1.76 0.97 0.96 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 94 G 8.21 3.70 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 0.00 0.00 0.00 95 T 8.15 4.13 4.21 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 1.19 0.00 0.00 96 A 7.77 3.65 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 97 I 7.74 4.41 1.84 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 1.40 0.77 0.86 0.00 0.00 98 P 0.00 4.32 0.00 1.11 1.97 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 99 F 7.62 5.10 0.00 3.08 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 0.00 100 I 8.92 4.92 2.07 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 1.14 1.19 0.98 0.00 0.00 101 E 8.82 4.91 0.00 2.24 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 102 V 8.89 4.52 1.73 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 0.19 0.00 0.00 0.75 0.00 0.00 103 H 8.84 5.07 0.00 3.03 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.79 3.93 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.95 0.00 0.00 105 T 7.76 4.59 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 1.25 0.00 0.00 106 N 8.27 4.61 0.00 2.78 2.77 0.00 0.00 6.87 7.71 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 0.00 107 V 8.21 3.53 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 0.47 0.00 0.00 0.63 0.00 0.00 108 H 7.90 4.04 0.00 3.09 3.23 0.00 5.70 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 0.00 109 Q 8.16 4.17 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.32 4.71 0.00 1.82 1.68 0.00 3.14 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 111 E 8.28 3.84 0.00 1.16 1.63 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 2.47 2.34 0.00 112 P 0.00 3.13 0.00 2.10 2.05 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 113 F 7.84 4.29 0.00 3.29 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 0.00 114 R 7.39 3.56 0.00 1.38 1.67 0.00 2.89 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 115 H 7.40 4.37 0.00 3.10 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.20 4.18 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 117 S 8.18 4.90 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 9.08 4.52 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.63 0.00 1.81 2.03 0.93 0.79 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 0.00 120 S 8.40 4.33 0.00 3.89 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 0.00 121 D 8.20 4.19 0.00 2.85 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 0.00 122 K 7.40 4.35 0.00 1.81 2.00 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.61 7.81 123 A 7.61 2.70 1.06 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 0.00 124 V 8.03 3.79 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 0.95 0.00 0.00 0.76 0.00 0.00 125 A 7.58 4.68 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 0.00 126 V 8.24 4.72 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 0.98 0.00 0.00 127 I 8.72 4.59 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.84 0.00 0.00 128 C 8.73 5.03 0.00 2.96 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 0.00 129 G 9.44 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 0.00 130 L 7.80 4.33 0.00 1.62 1.80 1.00 1.10 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 0.00 131 G 7.89 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.42 4.01 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 0.94 0.00 0.00 1.04 0.00 0.00 133 Y 8.48 4.40 0.00 3.07 3.26 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 0.00 134 G 7.97 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 0.00 135 Y 7.90 4.17 0.00 3.20 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 0.00 136 T 7.85 4.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 137 A 7.72 3.81 1.03 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 0.00 138 A 7.60 3.97 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 0.00 139 I 7.99 3.62 2.14 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 1.57 0.86 0.94 0.00 0.00 140 E 8.30 3.92 0.00 2.01 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 2.37 2.52 0.00 141 Y 8.17 3.94 0.00 3.06 3.01 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 0.00 142 A 8.08 2.58 1.02 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 0.00 143 L 7.88 4.24 0.00 1.55 1.68 0.91 0.87 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 0.00 144 N 7.61 4.83 0.00 2.53 2.62 0.00 0.00 6.87 6.97 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 0.00 145 Y 7.88 4.02 0.00 2.83 2.83 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 0.00 146 Q 7.67 4.14 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.