NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.5829 8.2127 109.7924 45.6046 0.0000 175.6955 3 N 4.1900 8.5697 117.3175 54.3311 39.5706 174.6474 4 I 3.6920 8.4941 114.4164 64.1611 38.0467 177.2581 5 F 4.5825 7.9855 118.6428 59.8987 38.8507 177.6125 6 A 4.1940 8.2242 120.6417 55.4977 18.0813 179.3247 7 N 4.3901 8.0461 113.4781 56.4102 38.6027 177.0763 8 L 3.9067 7.2426 119.1272 58.1852 42.0483 179.5098 9 F 4.3068 8.1125 115.8268 59.4168 39.0644 177.7637 10 K 2.4800 7.4460 118.5967 58.9707 31.5792 178.4285 11 G 3.7802 7.7776 106.7164 48.9180 0.0000 174.2079 12 L 4.1871 7.7305 116.3956 55.5939 41.7865 178.1862 13 F 5.5801 7.4456 119.9887 56.0402 37.7495 175.4937 14 G 4.1261 7.6482 116.2390 45.3123 0.0000 172.1853 15 K 4.3605 8.4885 119.4350 56.2738 33.8182 176.9453 16 K 3.8032 7.9458 119.8742 57.2886 32.5616 175.7442 17 E 4.1871 8.7718 125.2075 56.3184 29.8233 175.2542 18 M 4.9452 8.7250 126.0317 53.7178 36.8118 174.6759 19 R 4.7196 8.1343 118.4874 55.3509 34.0568 173.2371 20 I 4.6244 8.3244 127.2549 59.4427 39.6391 174.1679 21 L 4.6603 8.7172 130.4222 53.7693 43.8577 174.6291 22 M 5.0187 8.7260 127.1381 54.0184 34.4399 174.8943 23 V 4.6737 9.4568 118.7338 58.7369 36.9132 174.9623 24 G 3.6546 7.2309 109.4371 44.1321 0.0000 172.1614 25 L 4.2366 7.6398 120.0685 54.3982 42.1810 177.0370 26 D 4.3128 8.3131 119.3437 54.7319 39.8339 176.5426 27 A 3.7426 8.7463 122.2397 52.4467 16.3316 178.9059 28 A 3.9994 7.5032 119.7760 55.9082 18.6671 178.4578 29 G 3.8432 8.3989 103.6840 45.6776 0.0000 175.8556 30 K 3.9327 8.3157 122.4760 59.6364 31.9998 179.3435 31 T 3.9177 7.7742 115.4903 66.7220 68.4125 176.9782 32 T 3.9733 7.7908 117.4255 66.4265 68.6669 176.7652 33 I 3.5678 7.8625 121.8034 64.3711 36.9486 178.2787 34 L 3.7585 7.6499 118.3475 58.1675 41.8290 178.8679 35 Y 4.2985 8.0431 119.1565 60.3796 38.4515 177.9004 36 K 3.8865 7.8395 119.1117 59.2137 32.4257 178.9423 37 L 3.4612 7.5973 118.9300 55.2085 41.4343 177.5564 38 K 3.8469 7.1292 115.7835 57.3920 30.0407 175.7339 39 L 4.0714 8.3120 116.5930 54.2564 42.4464 177.3455 40 G 3.9847 7.1382 105.1136 45.0532 0.0000 171.3263 41 E 4.2654 8.1547 118.9991 56.1761 30.4441 177.3886 42 I 4.3165 8.3774 124.7150 60.6271 37.8848 175.2665 43 V 4.3386 8.4417 121.6568 59.9469 33.6207 175.4477 44 T 5.0586 8.4744 122.3844 62.6556 69.8312 174.1292 45 T 4.6528 8.7734 115.4626 59.9932 72.7885 173.1945 46 I 5.4665 7.8156 121.2663 57.2729 36.8977 173.0593 47 P 4.4344 0.0000 0.0000 65.3083 31.9492 176.8777 48 T 4.8141 7.6927 112.1755 60.9803 72.5424 173.2071 49 I 3.8830 8.2467 117.0695 62.5381 37.8396 176.7843 50 G 3.9668 8.9185 110.8856 45.5560 0.0000 173.2814 51 F 4.8998 8.2417 122.5540 56.7995 38.5512 172.8771 52 N 5.1238 8.2949 124.4087 51.6077 39.9390 174.6769 53 V 4.4525 8.2324 123.3563 61.0377 34.7754 173.8898 54 E 5.1214 8.8638 126.9897 55.2582 32.1705 175.2043 55 T 5.6197 8.6921 118.8729 61.1258 73.2961 172.9688 56 V 4.9798 8.6041 125.0174 61.1228 34.8312 173.7942 57 E 4.8091 8.7927 125.6097 55.8400 32.0697 173.4339 58 Y 4.5728 9.6615 126.7831 57.3345 39.3447 176.0650 59 K 4.0939 7.7334 117.9505 55.7937 35.8726 175.7048 60 N 4.9416 8.1400 115.6951 53.1964 39.8648 175.1512 61 I 4.7597 7.6886 119.7871 60.3404 41.0990 174.2604 62 S 5.1326 8.2985 121.9969 56.7834 65.6677 173.3490 63 F 4.7448 9.4963 125.2018 56.6474 39.9766 174.8979 64 T 4.8959 8.6144 121.9908 61.8864 70.3780 174.3775 65 V 5.1201 8.6351 126.2900 60.0186 35.1683 174.1436 66 W 5.0322 7.7532 120.2760 55.7776 30.8088 173.0677 67 D 5.2308 8.9000 121.3023 53.8060 41.5768 175.9780 68 V 4.5835 8.1344 114.5148 59.7445 35.2087 175.0923 69 G 4.5639 8.9476 106.2564 45.9664 0.0000 173.5673 70 G 3.9812 7.7126 102.2596 46.7091 0.0000 171.3279 *74 I 3.7091 7.4705 119.8326 61.1017 38.1377 174.6787 75 R 3.8299 6.7463 117.5722 54.0883 32.8271 173.0181 76 P 4.1164 0.0000 0.0000 65.4134 30.8769 178.6889 77 L 4.1471 7.5000 118.6078 57.2894 41.9807 178.8798 78 W 4.3359 7.7672 118.8356 59.8436 29.1670 178.2808 79 R 3.5646 7.4040 117.5208 59.6564 29.1884 178.5986 80 H 4.2240 7.3517 117.7396 59.3794 29.9142 176.6683 81 Y 4.3106 7.2593 117.1117 61.1413 38.0610 177.8501 82 F 4.9191 9.0069 120.9696 59.9025 39.5094 176.8261 83 Q 4.4418 8.1383 118.1362 54.6707 27.1141 175.6831 84 N 4.6997 7.4765 123.9215 53.9943 41.0123 173.8148 85 T 4.3523 7.5997 116.2478 64.3751 68.7536 174.8511 86 Q 4.0743 8.9615 126.7630 57.9764 29.7027 176.1234 87 G 4.4026 7.8634 105.7943 44.2613 0.0000 171.6378 88 L 5.1194 8.9874 124.2768 53.2024 45.0323 175.0237 89 I 4.7955 8.7938 128.6213 59.8590 39.3960 174.8113 90 F 5.0397 9.3703 129.7993 56.3632 41.6746 173.8699 91 V 4.8440 7.8734 126.7645 60.5815 32.9436 175.7650 92 V 4.4273 8.6127 123.2662 61.0756 35.3714 174.1847 93 D 4.5580 8.5964 126.3496 53.0977 41.0301 176.8932 94 S 4.1872 9.1283 124.2818 61.0515 63.0985 176.3273 95 N 4.4990 8.0667 117.1664 54.8196 38.2954 175.1115 96 D 4.6828 7.9628 120.0490 52.7538 39.5767 176.6168 97 R 4.1682 7.8925 121.1044 58.6977 30.8719 178.2401 98 E 4.0199 7.5732 118.6053 59.4166 29.8596 178.2342 99 R 4.5918 8.5190 116.0766 56.5775 30.2689 178.9536 100 V 3.7327 7.6842 115.3097 64.3690 31.6204 177.9840 101 N 4.4651 8.1156 115.9446 55.8866 38.4653 177.1462 102 E 4.0466 8.0321 119.6666 59.2270 29.7864 178.8209 103 A 4.3329 8.3222 120.6086 54.5983 18.3254 179.8025 104 R 3.6612 7.7748 117.3525 59.7060 30.2448 178.3945 105 E 3.9446 8.0511 118.1345 59.6016 29.5359 179.3334 106 E 4.1614 8.3432 118.5581 59.2086 29.4865 179.1594 107 L 3.5366 7.6107 120.0226 58.3166 41.9284 178.6860 108 M 3.9325 7.7976 117.6520 58.4741 32.3405 178.5383 109 R 4.0540 8.3973 119.0241 59.7869 30.4152 178.3472 110 M 4.2012 8.0011 117.7710 58.4745 32.0041 177.8063 111 L 4.1046 7.7215 117.5521 56.5761 41.9535 178.6205 112 A 4.1522 7.5773 120.3126 53.8613 18.9032 178.1100 113 E 4.1190 7.4784 117.2017 56.4425 30.4787 177.7269 114 D 4.4421 9.0285 123.6907 57.6546 41.1050 178.7389 115 E 4.1196 8.2155 116.7502 58.6353 29.9012 177.4193 116 L 4.1613 7.8450 119.5091 55.5856 42.4370 177.9825 117 R 4.1432 7.4072 117.7231 59.4895 29.9245 176.4495 118 D 4.8563 7.9389 114.3019 53.6844 41.5979 175.3731 119 A 5.0394 8.0989 122.1037 51.1167 19.4236 178.0771 120 V 3.9665 8.3235 121.9751 62.2627 33.2418 174.3020 121 L 5.1362 8.7479 130.3548 53.8363 43.7924 174.6096 122 L 5.1728 9.2143 128.8354 53.2497 45.0713 174.8386 123 V 4.8381 9.0655 126.3846 61.2656 34.0750 174.0941 124 F 5.4371 9.0530 127.2666 56.4976 40.6193 175.1889 125 A 4.9407 9.3173 128.1405 50.8317 18.5945 176.1034 126 N 5.0257 8.8310 120.7495 52.4600 41.5108 174.5511 127 K 4.2056 8.6052 116.3616 57.3841 29.4040 177.8454 128 Q 4.1114 8.0009 121.5800 58.4271 28.9799 176.7686 129 D 4.5337 7.9598 115.4581 54.7256 40.1617 176.0541 130 L 4.4620 7.8196 121.7638 52.9691 42.8884 175.4873 131 P 4.1956 0.0000 0.0000 65.9779 31.2469 177.1236 132 N 4.5172 8.0326 111.0387 53.4153 39.0082 174.8968 133 A 4.0946 7.8961 121.5277 52.6078 18.6340 177.7957 134 M 4.3005 8.8939 123.4745 55.8593 32.9711 176.0745 135 N 4.8296 8.5789 118.5685 51.2921 40.1800 175.4518 136 A 3.9374 8.8214 120.4994 55.5651 17.6486 179.7868 137 A 3.9110 7.9593 118.3848 55.4733 18.5140 179.3842 138 E 3.7125 8.7390 117.9304 59.1367 29.7086 179.0504 139 I 3.6794 8.1257 120.5018 64.6974 37.2139 178.4309 140 T 3.7374 8.4014 116.7654 66.1406 68.1263 176.1192 141 D 4.3403 7.4076 120.2670 56.6059 41.2639 178.9453 142 K 4.1293 8.0379 117.1635 58.6307 32.1452 177.6511 143 L 4.3628 7.6567 116.4757 53.3687 42.7374 176.2929 144 G 3.9243 8.4019 107.8132 46.1349 0.0000 176.0991 145 L 3.3576 7.4098 121.0632 57.3952 41.7062 179.7974 146 H 4.4983 7.8124 114.4464 58.0198 28.8257 176.6622 147 S 4.2942 7.7786 113.7114 60.6524 63.1617 175.5547 148 L 4.3468 7.3350 122.2263 54.7147 38.7466 176.6437 149 R 4.3947 8.0465 114.7402 56.6815 30.1832 177.2335 150 H 5.0945 8.1653 116.0267 55.7091 31.1495 172.4612 151 R 4.7932 7.7204 112.7677 54.6753 32.6945 173.9523 152 N 4.8618 8.6610 117.7517 53.6592 40.1734 173.5730 153 W 6.0390 8.4788 119.5261 57.2545 30.9149 172.8753 154 Y 4.4129 8.2166 121.4803 56.1775 41.6875 172.8190 155 I 4.8603 7.8497 126.0294 59.1745 40.5084 174.0902 156 Q 4.6590 9.5496 130.2235 54.1334 32.3628 173.8320 157 A 4.9450 8.6799 128.5610 51.8955 20.0931 176.2034 158 T 4.8762 9.0721 112.3486 60.3421 73.5006 172.8612 159 C 4.5957 8.7812 121.2279 58.0337 33.1754 174.0651 160 A 3.8992 8.9724 130.5031 55.2856 18.1993 179.1341 161 T 4.0133 7.9505 104.6122 64.0491 68.9328 175.1575 162 S 4.4006 8.1244 114.7349 57.8807 64.4708 175.0909 163 G 3.9640 8.3710 109.6554 44.8160 0.0000 172.9047 164 D 4.5485 7.5864 120.6528 55.8811 41.4337 177.6712 165 G 4.2163 8.9743 111.7089 47.1385 0.0000 175.3568 166 L 3.8587 7.9176 119.9030 58.1511 41.6436 178.6448 167 Y 4.2047 8.4075 118.7560 60.9861 38.8036 177.5518 168 E 4.1904 8.6797 119.0136 59.7308 29.5646 179.3877 169 G 4.0470 8.4725 104.8732 48.1534 0.0000 175.3784 170 L 4.3683 8.6015 120.7708 56.8480 41.5898 178.8966 171 D 3.9658 8.3760 119.1233 56.4853 41.1879 177.8298 172 W 3.8804 7.9878 128.7965 60.2707 30.7185 177.3460 173 L 3.2383 7.8072 119.9569 58.2940 41.4672 179.0154 174 S 4.0465 7.5420 114.7720 61.7566 62.4065 176.5239 175 N 4.1102 7.4955 118.8478 56.5244 38.0779 177.3345 176 Q 3.7021 7.0025 117.4832 58.9358 28.7346 178.7971 177 L 4.1247 7.4819 118.7459 57.1279 41.9245 178.9673 178 R 4.0079 8.2340 118.5011 57.9955 30.9406 175.9867 179 N 5.0120 7.5101 114.4583 51.7143 36.8400 173.7174 180 Q 4.0444 7.3938 117.0116 57.1751 29.7297 176.9084 181 K 4.1731 7.8816 124.7355 56.9650 33.0773 176.3851 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 G 8.21 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.19 0.00 2.95 2.83 0.00 0.00 6.64 6.93 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 4 I 8.49 3.69 1.62 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.19 0.74 0.00 0.00 5 F 7.99 4.58 0.00 3.39 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 6 A 8.22 4.19 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 7 N 8.05 4.39 0.00 2.79 2.94 0.00 0.00 7.12 7.85 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 8 L 7.24 3.91 0.00 1.70 0.87 0.66 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.11 4.31 0.00 3.48 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 10 K 7.45 2.48 0.00 1.83 1.68 0.00 1.85 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.92 7.81 11 G 7.78 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 12 L 7.73 4.19 0.00 1.78 1.78 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.45 5.58 0.00 2.97 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 14 G 7.65 4.13 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 0.00 0.00 0.00 15 K 8.49 4.36 0.00 1.86 1.93 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.40 7.81 16 K 7.95 3.80 0.00 1.89 1.90 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 17 E 8.77 4.19 0.00 2.01 1.93 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 2.43 2.36 0.00 18 M 8.73 4.95 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 19 R 8.13 4.72 0.00 1.85 1.86 0.00 3.25 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 20 I 8.32 4.62 0.96 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.15 0.86 0.00 0.00 21 L 8.72 4.66 0.00 1.61 1.37 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.73 5.02 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 23 V 9.46 4.67 1.78 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 -0.15 0.00 0.00 0.90 0.00 0.00 24 G 7.23 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 25 L 7.64 4.24 0.00 1.76 1.64 1.03 1.00 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 26 D 8.31 4.31 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.75 3.74 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 28 A 7.50 4.00 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 29 G 8.40 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 30 K 8.32 3.93 0.00 1.75 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 T 7.77 3.92 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 1.21 0.00 0.00 32 T 7.79 3.97 4.37 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 1.22 0.00 0.00 33 I 7.86 3.57 1.96 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 1.32 1.30 0.81 0.00 0.00 34 L 7.65 3.76 0.00 1.78 1.68 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.04 4.30 0.00 3.09 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 36 K 7.84 3.89 0.00 1.92 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.79 7.81 37 L 7.60 3.46 0.00 1.36 1.33 0.22 -0.17 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 38 K 7.13 3.85 0.00 1.97 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.44 7.81 39 L 8.31 4.07 0.00 1.38 1.54 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.14 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 0.00 0.00 0.00 41 E 8.15 4.27 0.00 1.89 1.91 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 2.34 2.37 0.00 42 I 8.38 4.32 1.86 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 1.36 0.56 0.89 0.00 0.00 43 V 8.44 4.34 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 0.83 0.00 0.00 0.94 0.00 0.00 44 T 8.47 5.06 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 1.16 0.00 0.00 45 T 8.77 4.65 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 1.22 0.00 0.00 46 I 7.82 5.47 1.87 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 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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 1.30 0.00 0.00 56 V 8.60 4.98 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 0.94 0.00 0.00 0.91 0.00 0.00 57 E 8.79 4.81 0.00 1.89 1.84 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 2.25 2.31 0.00 58 Y 9.66 4.57 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.73 4.09 0.00 0.79 1.03 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.28 7.81 60 N 8.14 4.94 0.00 3.08 2.99 0.00 0.00 5.71 7.51 0.00 0.00 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 I 7.69 4.76 1.94 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.41 0.00 0.00 62 S 8.30 5.13 0.00 3.77 3.76 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 0.00 0.00 0.00 0.00 63 F 9.50 4.74 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 9.32 4.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.83 5.03 0.00 2.91 2.85 0.00 0.00 7.05 7.12 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 0.00 127 K 8.61 4.21 0.00 2.02 1.87 0.00 2.03 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.40 7.81 128 Q 8.00 4.11 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 129 D 7.96 4.53 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 0.00 130 L 7.82 4.46 0.00 1.75 1.62 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.20 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 132 N 8.03 4.52 0.00 2.71 2.86 0.00 0.00 6.83 7.35 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 0.00 133 A 7.90 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 8.89 4.30 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.50 0.00 135 N 8.58 4.83 0.00 2.83 2.94 0.00 0.00 5.93 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 0.00 136 A 8.82 3.94 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 0.00 137 A 7.96 3.91 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 0.00 138 E 8.74 3.71 0.00 2.13 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 2.30 2.34 0.00 139 I 8.13 3.68 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.04 0.91 0.00 0.00 140 T 8.40 3.74 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 1.17 0.00 0.00 141 D 7.41 4.34 0.00 2.59 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 0.00 142 K 8.04 4.13 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.57 7.81 143 L 7.66 4.36 0.00 1.57 1.47 0.84 0.85 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 0.00 144 G 8.40 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 0.00 0.00 0.00 145 L 7.41 3.36 0.00 0.63 0.13 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.81 4.50 0.00 3.16 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.78 4.29 0.00 3.96 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 0.00 148 L 7.33 4.35 0.00 1.76 1.75 0.52 0.82 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 0.00 149 R 8.05 4.39 0.00 1.94 2.09 0.00 3.04 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 150 H 8.17 5.09 0.00 3.07 3.30 0.00 5.87 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.72 4.79 0.00 1.96 1.88 0.00 3.13 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 152 N 8.66 4.86 0.00 2.87 2.86 0.00 0.00 6.46 7.95 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 0.00 153 W 8.48 6.04 0.00 3.28 2.99 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 0.00 0.00 0.00 154 Y 8.22 4.41 0.00 1.43 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 0.00 155 I 7.85 4.86 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.99 0.00 0.00 156 Q 9.55 4.66 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 157 A 8.68 4.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 9.07 4.88 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 0.89 0.00 0.00 159 C 8.78 4.60 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.97 3.90 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 0.00 161 T 7.95 4.01 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 0.00 162 S 8.12 4.40 0.00 3.99 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 0.00 163 G 8.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 7.59 4.55 0.00 2.72 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 0.00 165 G 8.97 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 0.00 0.00 0.00 0.00 166 L 7.92 3.86 0.00 2.07 1.80 0.78 0.01 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 0.00 167 Y 8.41 4.20 0.00 2.93 2.99 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 0.00 0.00 0.00 168 E 8.68 4.19 0.00 2.50 2.33 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 2.55 2.63 0.00 169 G 8.47 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 0.00 170 L 8.60 4.37 0.00 2.01 1.86 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.38 3.97 0.00 2.25 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 0.00 172 W 7.99 3.88 0.00 2.86 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 0.00 173 L 7.81 3.24 0.00 2.03 1.87 1.11 1.37 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 0.00 174 S 7.54 4.05 0.00 3.83 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 0.00 175 N 7.50 4.11 0.00 2.65 2.65 0.00 0.00 7.08 7.36 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 0.00 176 Q 7.00 3.70 0.00 1.68 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 177 L 7.48 4.12 0.00 1.71 1.68 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.23 4.01 0.00 1.82 1.97 0.00 3.11 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 179 N 7.51 5.01 0.00 2.76 2.72 0.00 0.00 6.98 7.05 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 0.00 180 Q 7.39 4.04 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 181 K 7.88 4.17 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.