NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4447 8.3193 115.4137 58.1539 64.0283 176.4736 7 V 3.9103 8.7658 114.0259 59.2430 32.7593 173.8654 8 P 4.4345 0.0000 0.0000 61.6757 32.9202 177.2797 9 K 3.8076 8.6185 121.7165 56.7084 32.5039 175.9886 10 E 4.1277 8.6032 125.7911 55.6430 30.2649 176.5025 11 L 4.1874 8.4765 125.8823 55.6503 42.1052 176.4553 12 Y 4.9108 7.9945 117.1470 57.3606 42.1814 175.9834 13 L 3.5860 7.1092 121.8944 57.5166 42.3290 175.5581 14 S 4.4740 7.2002 109.8703 57.8605 64.8097 173.2414 15 S 4.7137 8.3587 113.2669 57.5027 64.0569 174.0566 16 S 4.5974 7.8112 114.9462 56.2631 66.9286 174.9527 17 L 3.9272 8.4790 124.4838 58.1146 41.2617 179.1073 18 K 3.8265 8.0255 119.1871 59.6708 31.8993 178.0919 19 D 4.2797 7.7531 116.6086 57.1400 41.4744 177.3497 20 L 4.0365 7.7259 120.4218 58.4573 42.0416 178.7949 21 N 4.3485 8.4720 116.4964 56.1934 38.5764 177.2990 22 K 3.8844 7.7530 119.1981 59.4555 31.9242 178.7700 23 K 4.2584 7.8679 116.6525 57.8389 32.2552 178.2265 24 T 4.2616 7.5334 109.0303 61.3302 69.6752 174.7215 25 E 4.3592 6.9958 120.6678 56.1098 30.3721 176.6928 26 V 4.3564 8.1030 112.5941 60.8564 34.2278 176.0813 27 K 4.3792 7.8121 120.2900 54.5926 33.1279 175.7914 28 P 4.6579 0.0000 0.0000 65.0963 31.4563 178.3240 29 E 4.1227 8.2623 115.9837 58.4287 29.4489 177.5841 30 K 4.5089 8.2495 116.7025 55.6099 33.0161 175.5875 31 I 4.2215 7.4732 120.6487 58.8498 38.7730 176.4744 32 S 4.3827 8.2695 120.8222 58.2479 64.9715 175.0524 33 T 3.9434 8.4837 119.5217 67.0067 68.1929 177.0013 34 K 4.1124 8.0490 119.7962 59.4405 32.0774 179.4894 35 S 4.1230 8.1723 115.5166 61.8523 62.6338 176.2881 36 Y 4.2724 8.0398 119.4223 61.0495 37.5976 178.8118 37 V 3.6596 8.1142 119.2678 66.2445 31.4876 177.3535 38 H 4.1779 8.3029 117.8645 59.5762 29.7179 177.2131 39 S 4.1635 8.3922 116.5795 61.7147 62.6525 176.5434 40 A 4.2881 8.5885 123.7417 55.3285 18.0591 179.6787 41 L 4.0882 8.2074 117.4426 57.9212 41.6316 179.7179 42 K 4.0168 7.9240 119.6616 59.4407 32.0575 178.9576 43 I 3.6949 8.4921 120.5708 64.3058 36.9910 178.2476 44 F 3.7046 8.5963 121.6718 60.8835 39.2680 176.9435 45 K 3.8429 8.1157 119.3343 60.1420 31.9216 178.8899 46 T 3.8289 8.1404 115.7303 66.3596 68.2937 176.6553 47 A 3.4907 7.8539 123.0935 54.7037 18.0520 179.4916 48 E 3.8307 7.5329 118.4100 58.9880 29.5570 179.3639 49 E 3.8952 7.7661 117.9313 59.6783 29.5478 179.3187 50 C 4.0925 8.1038 116.7489 62.6994 28.1758 176.0885 51 R 3.9191 7.9608 120.2333 59.6049 29.4843 178.6454 52 L 4.0523 7.9493 117.6441 57.4073 41.6819 178.0889 53 D 4.5225 7.8868 115.3389 54.1017 41.2997 176.6834 54 R 3.9251 7.6201 115.9899 58.1101 28.1324 177.1758 55 D 4.6224 7.8713 119.9818 53.0860 39.7456 176.3349 56 E 4.0065 8.3066 125.1399 58.8200 29.7432 178.3632 57 E 4.0372 8.0877 118.1291 59.5079 29.6568 179.2626 58 R 3.8726 8.2513 118.3287 59.2441 30.1206 178.1952 59 A 3.7832 8.1542 120.7073 55.3232 18.1758 178.9095 60 Y 4.1154 8.0863 116.6243 60.9984 39.0076 177.9517 61 V 3.6448 7.9555 117.8516 66.1639 31.7484 177.7235 62 L 4.1589 8.0161 118.5125 57.7715 41.0377 179.8210 63 Y 4.4533 7.8094 114.2403 58.5481 37.5491 178.0646 *65 K 4.1986 8.0190 123.4007 56.6719 34.2898 177.0311 66 Y 4.1249 8.4753 119.5508 60.9444 38.6415 178.4491 67 V 3.6431 8.0773 119.0292 66.2557 31.5257 178.2106 68 T 3.8366 7.7104 115.1536 66.3648 68.3270 176.6913 69 V 3.1230 7.8740 120.4339 65.9744 31.5315 177.2425 70 Y 3.7413 7.8175 119.2799 60.8860 38.3565 177.9789 71 N 3.9863 8.1453 116.1695 56.0454 38.7207 176.8292 72 L 3.8387 7.7705 122.0716 58.1555 42.1973 179.1695 73 I 3.5398 7.5842 113.2802 63.0951 37.3616 177.8428 74 K 2.8465 6.9092 119.5219 58.4444 32.3831 178.4048 75 K 4.1029 7.1411 118.5238 56.5425 32.7931 177.0807 76 R 4.2310 7.4359 120.1790 54.8837 31.0274 175.5710 77 P 4.2941 0.0000 0.0000 66.0256 31.0960 178.6258 78 D 4.4670 8.0996 116.1928 55.9779 39.6916 178.1730 79 F 4.3137 8.2238 122.0074 61.2987 39.3857 176.9619 80 K 4.0714 8.2232 116.8320 59.7993 31.9669 178.7045 81 Q 4.1947 8.4025 118.8732 58.2563 29.2589 176.4451 82 Q 4.5460 8.0708 119.0999 54.6166 30.2410 177.4529 83 Q 3.5771 8.4794 119.8083 59.5700 29.2537 176.9096 84 D 4.3879 8.0221 119.1166 57.4479 41.0134 178.0342 85 Y 3.9431 7.7697 119.3556 60.8522 38.9051 178.0603 86 F 4.2305 7.9183 118.7631 60.8112 38.8453 177.4034 87 H 4.4678 8.5865 116.6041 58.9369 28.2535 177.9423 88 S 4.1407 7.7889 114.9079 61.1011 63.0172 176.3795 89 I 3.7531 7.1798 122.4293 64.3070 36.9353 178.0443 90 L 4.3657 7.9484 118.6559 54.4080 41.9267 175.1104 91 G 3.8158 8.2237 112.7321 45.1676 0.0000 172.4471 92 P 4.2990 0.0000 0.0000 65.2746 31.2795 179.0274 93 G 3.5636 7.9692 104.3014 47.5321 0.0000 175.4534 94 N 3.9335 7.8530 118.2997 56.1704 38.3485 177.4846 95 I 3.8471 7.5088 120.6471 64.1774 37.2323 178.3287 96 K 3.8842 7.7425 120.5758 59.2790 32.0388 178.5819 97 K 3.7994 8.2168 119.8425 59.6841 31.9754 178.4834 98 A 3.8123 8.2161 120.7915 55.0537 18.3718 179.7867 99 V 3.5491 7.6509 116.8067 66.1595 31.6144 178.1191 100 E 4.0397 8.0800 117.0674 59.0633 29.5726 178.9610 101 E 3.7057 8.3217 119.9562 59.0957 29.4235 178.8856 102 A 4.1980 8.0182 121.1525 55.1933 18.4055 179.3592 103 E 3.9177 8.3141 117.6963 59.4107 29.7813 179.0150 104 R 3.8763 8.1366 118.8324 59.5205 30.1208 178.5009 105 L 4.0379 8.5466 119.4388 57.5745 41.6020 179.5582 106 S 3.7398 8.6958 114.7175 61.5787 62.9741 176.4475 107 E 3.9748 8.1824 122.5381 58.9617 29.1544 179.4136 108 S 4.0843 8.0080 113.0983 61.3432 62.4246 176.2630 109 L 3.6040 8.1280 122.1380 57.3190 41.2513 179.3014 110 K 3.9473 8.3671 118.9611 59.8246 32.0475 179.3078 111 L 4.0106 7.4488 118.0264 57.7888 41.5507 179.8085 112 R 3.9410 7.8723 118.1405 59.3019 29.9356 178.7583 113 Y 4.3427 8.1510 117.1253 60.8499 37.7705 177.8852 114 E 3.9126 8.4575 120.3580 59.4431 29.8305 177.8880 115 E 3.8520 8.5718 119.3328 59.7693 29.5559 178.5285 116 A 4.0285 8.1976 120.1149 55.2778 18.4690 179.2530 117 E 3.8291 8.2761 117.5039 59.3758 29.6998 179.0557 118 V 3.5438 8.0409 118.5816 66.1979 31.6066 177.7090 119 R 3.8660 8.4307 118.6903 59.7412 29.7930 177.7663 120 K 3.8670 8.1768 119.2447 59.1777 32.1357 178.4883 121 K 3.8794 8.2821 118.3130 60.0006 32.1693 179.2141 122 L 4.0439 8.3222 119.1089 57.6871 41.5485 179.3860 123 E 4.0515 8.2787 118.7873 59.1500 29.3582 178.9840 124 E 3.9280 8.3306 119.5865 58.9390 29.7125 178.5965 125 K 4.1334 8.0830 121.1031 59.2319 32.2181 178.4115 126 D 4.3967 8.5143 119.3664 57.2082 40.6624 178.9581 127 R 3.8354 7.9410 119.2179 59.5009 30.1498 178.2897 128 Q 4.0005 8.0813 117.7786 59.3400 28.5735 179.2799 129 E 4.0737 7.9039 117.7923 59.1646 29.5782 178.7371 130 E 4.1073 8.3403 118.5164 58.6941 31.1761 178.2542 131 A 4.3263 7.5169 122.2376 49.2406 16.3893 177.1599 132 Q 4.3307 7.7896 122.9930 56.3880 29.4662 173.1996 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 6 S 8.32 4.44 0.00 4.00 3.37 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 7 V 8.77 3.91 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 0.73 0.00 0.00 0.94 0.00 0.00 8 P 0.00 4.43 0.00 2.09 2.04 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 K 8.62 3.81 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.47 7.81 10 E 8.60 4.13 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 11 L 8.48 4.19 0.00 1.70 1.61 0.92 0.78 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 12 Y 7.99 4.91 0.00 3.04 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 13 L 7.11 3.59 0.00 0.60 1.33 0.81 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 14 S 7.20 4.47 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.36 4.71 0.00 3.96 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 16 S 7.81 4.60 0.00 4.03 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 17 L 8.48 3.93 0.00 1.76 1.70 0.90 0.68 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 18 K 8.03 3.83 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.49 7.81 19 D 7.75 4.28 0.00 2.70 2.64 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 20 L 7.73 4.04 0.00 2.02 1.70 0.84 0.56 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 21 N 8.47 4.35 0.00 2.91 2.83 0.00 0.00 7.03 7.88 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 22 K 7.75 3.88 0.00 1.94 1.82 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.68 7.81 23 K 7.87 4.26 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 24 T 7.53 4.26 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 25 E 7.00 4.36 0.00 1.99 1.86 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 2.43 2.53 0.00 26 V 8.10 4.36 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 0.75 0.00 0.00 0.93 0.00 0.00 27 K 7.81 4.38 0.00 1.81 1.94 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 28 P 0.00 4.66 0.00 2.24 2.26 0.00 3.92 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 29 E 8.26 4.12 0.00 1.94 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 2.32 2.41 0.00 30 K 8.25 4.51 0.00 1.64 1.74 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 31 I 7.47 4.22 1.25 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 -0.11 0.00 0.00 32 S 8.27 4.38 0.00 4.06 3.98 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 33 T 8.48 3.94 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 0.89 0.00 0.00 34 K 8.05 4.11 0.00 1.88 1.97 0.00 1.77 0.00 0.00 1.95 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.86 1.75 7.81 35 S 8.17 4.12 0.00 3.91 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 36 Y 8.04 4.27 0.00 3.14 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 37 V 8.11 3.66 2.32 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 1.14 0.00 0.00 0.89 0.00 0.00 38 H 8.30 4.18 0.00 3.35 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.39 4.16 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 4.29 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 41 L 8.21 4.09 0.00 1.95 1.80 0.99 0.50 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 42 K 7.92 4.02 0.00 1.81 1.97 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 43 I 8.49 3.69 2.10 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 1.46 0.70 1.01 0.00 0.00 44 F 8.60 3.70 0.00 2.39 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 45 K 8.12 3.84 0.00 2.03 1.97 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.51 7.81 46 T 8.14 3.83 4.15 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 1.15 0.00 0.00 47 A 7.85 3.49 0.05 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 48 E 7.53 3.83 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 49 E 7.77 3.90 0.00 2.12 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 2.29 2.30 0.00 50 C 8.10 4.09 0.00 2.96 2.92 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 51 R 7.96 3.92 0.00 2.11 2.13 0.00 3.12 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 52 L 7.95 4.05 0.00 1.74 1.70 0.94 1.34 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 53 D 7.89 4.52 0.00 2.77 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 54 R 7.62 3.93 0.00 2.03 2.07 0.00 3.36 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 55 D 7.87 4.62 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.01 0.00 2.00 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 2.40 2.38 0.00 57 E 8.09 4.04 0.00 2.07 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 2.49 2.35 0.00 58 R 8.25 3.87 0.00 2.10 1.91 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 1.59 1.64 0.00 59 A 8.15 3.78 1.47 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 0.00 0.00 0.00 60 Y 8.09 4.12 0.00 3.06 3.32 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 61 V 7.96 3.64 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 0.91 0.00 0.00 1.13 0.00 0.00 62 L 8.02 4.16 0.00 1.56 1.48 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.81 4.45 0.00 2.92 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 *65 K 8.02 4.20 0.00 1.95 2.05 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.46 7.81 66 Y 8.48 4.12 0.00 3.27 3.35 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 67 V 8.08 3.64 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.15 0.00 0.00 68 T 7.71 3.84 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 1.15 0.00 0.00 69 V 7.87 3.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 70 Y 7.82 3.74 0.00 2.68 2.92 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 71 N 8.15 3.99 0.00 2.77 2.74 0.00 0.00 7.06 7.49 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 72 L 7.77 3.84 0.00 1.54 1.33 0.73 0.58 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 73 I 7.58 3.54 1.62 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 1.36 -0.36 0.67 0.00 0.00 74 K 6.91 2.85 0.00 1.15 0.75 0.00 1.37 0.00 0.00 0.90 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.15 7.81 75 K 7.14 4.10 0.00 1.70 1.81 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.46 7.81 76 R 7.44 4.23 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 77 P 0.00 4.29 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 78 D 8.10 4.47 0.00 2.95 2.88 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 79 F 8.22 4.31 0.00 3.09 3.17 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 0.00 0.00 0.00 80 K 8.22 4.07 0.00 1.99 1.94 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.72 7.81 81 Q 8.40 4.19 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.43 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 82 Q 8.07 4.55 0.00 1.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.53 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 83 Q 8.48 3.58 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 84 D 8.02 4.39 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 3.94 0.00 2.81 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 86 F 7.92 4.23 0.00 2.33 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 87 H 8.59 4.47 0.00 3.39 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.79 4.14 0.00 4.00 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 89 I 7.18 3.75 1.98 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.94 0.00 0.00 90 L 7.95 4.37 0.00 1.72 1.78 1.16 0.90 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 91 G 8.22 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 92 P 0.00 4.30 0.00 2.13 2.06 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 93 G 7.97 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 94 N 7.85 3.93 0.00 2.67 1.42 0.00 0.00 6.95 6.89 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 95 I 7.51 3.85 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.29 0.41 0.00 0.00 96 K 7.74 3.88 0.00 1.78 1.92 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 97 K 8.22 3.80 0.00 2.10 2.23 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.48 7.81 98 A 8.22 3.81 1.70 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 99 V 7.65 3.55 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 1.06 0.00 0.00 1.03 0.00 0.00 100 E 8.08 4.04 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 101 E 8.32 3.71 0.00 1.16 1.18 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 2.10 1.84 0.00 102 A 8.02 4.20 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 0.00 103 E 8.31 3.92 0.00 2.13 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 0.00 2.32 2.37 0.00 104 R 8.14 3.88 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 105 L 8.55 4.04 0.00 1.95 1.82 1.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.70 3.74 0.00 3.96 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 0.00 107 E 8.18 3.97 0.00 2.16 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 2.64 2.46 0.00 108 S 8.01 4.08 0.00 3.86 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 0.00 109 L 8.13 3.60 0.00 1.53 1.28 0.67 0.46 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 0.00 110 K 8.37 3.95 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 111 L 7.45 4.01 0.00 1.91 1.68 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.87 3.94 0.00 1.52 1.78 0.00 3.02 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 113 Y 8.15 4.34 0.00 3.12 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 0.00 114 E 8.46 3.91 0.00 2.17 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 2.33 0.00 115 E 8.57 3.85 0.00 2.16 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 0.00 2.31 2.49 0.00 116 A 8.20 4.03 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 0.00 117 E 8.28 3.83 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 118 V 8.04 3.54 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 1.03 0.00 0.00 1.02 0.00 0.00 119 R 8.43 3.87 0.00 2.14 2.06 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 120 K 8.18 3.87 0.00 2.17 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 121 K 8.28 3.88 0.00 2.01 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.64 7.81 122 L 8.32 4.04 0.00 1.83 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.28 4.05 0.00 2.26 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 2.33 2.36 0.00 124 E 8.33 3.93 0.00 2.09 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 0.00 2.30 2.36 0.00 125 K 8.08 4.13 0.00 1.86 1.97 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.35 7.81 126 D 8.51 4.40 0.00 3.00 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 0.00 127 R 7.94 3.84 0.00 2.08 2.18 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 128 Q 8.08 4.00 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 129 E 7.90 4.07 0.00 2.04 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 2.34 2.31 0.00 130 E 8.34 4.11 0.00 2.20 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 2.32 2.37 0.00 131 A 7.52 4.33 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 0.00 132 Q 7.79 4.33 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.