NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9024 8.0544 120.3962 62.5632 33.3708 175.3877 8 D 4.5176 7.6626 123.5155 49.9147 40.3857 173.9889 9 P 4.2901 0.0000 0.0000 65.2058 32.1599 177.0003 10 R 4.3208 8.0521 115.3762 55.9735 30.5824 176.0548 11 A 4.4481 7.8659 121.8593 50.5356 19.7694 177.4801 12 K 4.1348 8.3656 120.8684 55.7913 32.8902 176.7253 13 W 4.3577 8.8218 134.5706 57.9468 31.0090 175.9913 14 Q 4.2869 7.7718 124.0243 52.7078 29.1007 172.8253 15 P 3.7914 0.0000 0.0000 62.0592 32.2071 176.1769 16 Q 4.7029 8.4010 117.6486 54.7049 31.9922 174.2844 17 D 5.4654 8.4636 115.5481 54.0273 41.2271 174.8989 18 N 5.0029 9.2204 113.8703 52.2688 39.3641 174.5592 19 D 4.4034 8.0578 119.2711 53.0704 41.8411 175.1304 20 I 2.7899 7.9134 120.2488 62.5605 37.6755 176.9863 21 Q 4.3782 8.5516 119.7394 55.4367 28.8298 174.6618 22 A 4.7974 7.7866 122.1925 50.2065 20.7947 177.8372 23 C 4.3925 9.0897 120.8514 59.7763 37.1897 174.5330 24 D 4.8512 8.1284 117.2751 52.9245 39.5785 175.5790 25 Y 4.7142 8.6078 122.5192 57.8636 39.2193 177.3480 26 W 4.7538 7.6886 122.1289 59.2585 28.4317 177.5118 27 R 3.7390 5.9261 115.7765 57.3794 29.9549 176.3065 28 H 5.0503 8.1140 115.6926 55.7415 29.0811 174.0372 29 C 2.9603 8.1371 116.0203 56.9329 42.0129 174.9464 30 S 4.9644 7.7385 115.1618 57.2308 62.0580 173.5287 31 I 3.5342 7.6754 118.6946 59.4513 39.7363 173.7473 32 D 4.8373 8.5907 126.9870 51.9999 44.5040 172.3814 33 G 4.1549 7.9419 113.3303 44.5658 0.0000 176.0822 34 N 5.4269 10.1042 121.9871 50.9843 42.3381 173.2915 35 I 4.3279 8.1640 122.3408 60.5143 37.6721 176.6242 36 C 4.2475 8.7501 124.5263 59.7350 34.8908 175.9750 37 D 4.2866 8.0950 118.8370 57.1999 40.9355 177.7477 38 C 4.8480 8.0840 114.6922 57.2054 40.0783 174.0251 39 S 4.6006 8.1918 113.9622 58.5937 63.0443 174.6528 40 G 4.1286 8.7335 111.5580 46.7995 0.0000 175.6578 41 G 3.9976 7.6361 111.7313 45.1228 0.0000 171.0981 42 S 5.0178 8.2894 115.6471 56.1854 66.4976 173.4888 43 L 4.0313 8.6218 120.8998 57.8264 41.6819 178.1859 44 T 4.5222 7.7856 104.5733 61.1094 69.8402 173.1250 45 N 5.0791 7.9769 119.5792 51.6691 42.1509 173.1183 46 C 4.8123 8.3497 117.3219 55.5948 36.5756 172.2228 47 P 4.6405 0.0000 0.0000 61.2533 31.8162 174.5202 48 P 4.3379 0.0000 0.0000 64.2736 31.6688 177.3949 49 G 4.0655 8.9572 108.2348 46.4255 0.0000 173.5970 50 T 4.2541 6.8955 108.8468 60.1461 71.2902 174.1699 51 K 4.6479 8.9859 122.1977 54.3830 35.1968 175.5182 52 L 4.5732 8.4560 127.3351 54.2687 42.6657 176.2097 53 A 4.7444 8.7148 129.0661 52.3646 18.7952 177.0109 54 T 4.3193 8.6438 107.8691 61.2171 70.4430 174.1617 55 A 4.8729 7.8695 123.6860 49.8677 23.4612 178.3976 56 S 3.6592 7.5593 119.3079 58.9970 63.7559 180.8688 *58 V 4.5352 8.8711 113.4457 61.7126 33.0150 173.1891 59 A 4.6259 7.7387 117.6101 51.7564 22.0234 175.6564 60 S 4.8581 9.1208 117.8450 58.2404 63.5239 173.9173 61 C 5.2725 9.3945 124.6864 55.1900 42.0590 172.8313 62 Y 4.7909 9.0461 124.8506 56.9829 40.2372 173.5670 63 N 3.5704 7.8064 125.9363 50.5102 39.5613 173.2856 64 P 4.1437 0.0000 0.0000 65.9629 31.5945 178.0812 65 T 3.8973 7.7400 115.5018 65.8180 68.2967 174.7933 66 D 4.6740 7.5005 116.6162 52.1569 39.8290 177.4512 67 G 4.3237 7.8012 107.0220 46.4752 0.0000 174.1442 68 Q 4.2590 7.8727 119.4880 55.4385 31.0081 174.8729 69 S 5.0325 7.7332 114.1118 57.5234 67.2442 173.2904 70 Y 5.2462 9.0646 120.4467 56.1608 42.6402 174.0037 71 L 4.8913 8.7802 123.9823 54.3747 43.9604 175.2748 72 I 4.6844 8.3290 126.4510 59.4289 39.9408 174.6455 73 A 4.1378 8.0545 128.8771 50.3293 19.3527 177.0261 74 Y 4.8894 7.7912 121.4057 57.8843 35.8923 175.4517 75 R 4.3875 7.9062 121.0952 55.8299 32.4085 176.1075 76 D 5.3101 8.6704 122.7785 53.8118 43.5029 174.6689 77 C 5.3029 8.9175 118.6346 55.6784 40.7684 172.6933 78 C 5.9769 8.9140 120.8390 54.3468 43.8362 175.0574 79 G 3.7798 8.7509 107.3317 45.6590 0.0000 173.0733 80 Y 4.9083 7.6058 116.1352 55.6157 41.6636 174.2857 81 N 4.5528 8.4568 119.5688 52.7182 39.7705 174.9720 82 V 3.9439 8.6805 121.8622 61.2921 31.6505 176.1584 83 S 4.1038 8.3428 119.0853 60.2101 62.6015 176.0647 84 G 3.9567 7.7133 106.8017 45.2009 0.0000 173.0796 85 R 4.5366 7.8756 118.0948 55.4623 33.3263 175.3306 86 C 4.3912 8.6522 116.5220 57.4978 37.6591 171.3534 87 P 5.0519 0.0000 0.0000 63.1023 32.6089 176.7624 88 C 4.9870 9.1413 117.1512 56.3472 45.6498 172.9020 89 L 4.8248 8.0551 120.7720 54.6439 44.5236 173.8302 90 N 5.2340 9.1921 123.5528 51.1355 43.4626 174.4127 91 T 5.0903 7.8455 110.4326 61.1645 69.2539 173.9005 92 E 3.9492 8.1634 122.5247 58.5398 29.5200 177.7846 93 G 3.7629 8.8478 111.5964 45.4988 0.0000 172.4778 94 E 4.2249 7.8775 121.2535 56.6394 29.6029 176.5114 95 L 4.7074 8.6493 126.4595 52.4757 44.8431 174.2862 96 P 4.4796 0.0000 0.0000 61.9054 32.2154 178.0439 97 V 3.5721 8.6183 121.1349 65.0313 31.0059 176.7753 98 Y 4.4713 7.8534 115.7582 57.8647 38.8422 175.3613 99 R 4.7959 7.6878 120.0420 55.2531 31.0273 174.9928 100 P 4.4003 0.0000 0.0000 66.2689 31.7061 178.5169 101 E 3.0692 8.1573 117.2090 58.2513 29.5670 177.8963 102 F 4.8395 8.4201 114.8410 56.7106 40.2872 173.7871 103 A 5.2930 9.3307 125.7030 50.5436 19.3318 177.5229 104 N 5.0475 9.2162 120.8532 52.9711 37.5619 175.3853 105 D 4.8626 7.8942 116.0808 54.1511 41.7138 176.7414 106 I 3.6711 7.0694 120.1645 60.4163 37.8460 176.0565 107 I 3.8954 7.5073 124.8300 60.1558 36.6873 176.9243 108 W 4.8971 8.5330 131.1530 55.9975 27.7478 176.9501 109 C 4.8036 7.0990 114.3343 56.2561 38.8281 174.4415 110 F 4.5807 7.4206 120.2263 59.4360 38.7727 176.1604 111 G 3.9922 9.2381 113.2398 45.0940 0.0000 173.3370 112 A 4.9199 7.6407 122.1620 50.8637 19.3238 177.3385 113 E 3.9173 8.7390 120.0607 57.9626 30.0545 176.8679 114 D 4.5483 9.6227 118.3403 55.1819 38.6617 173.6495 115 D 4.4357 7.9334 114.2447 55.0166 38.7713 173.9957 116 A 4.0664 7.7564 122.0696 53.0988 18.4724 178.3382 117 M 4.6223 8.5965 120.7385 54.8362 33.9081 175.3314 118 T 4.4698 7.5767 110.6996 60.4727 70.9026 173.4637 119 Y 4.3598 8.6751 126.9914 58.3762 39.7136 174.1180 120 H 4.5885 7.9382 125.5303 56.9201 32.4246 171.0094 121 C 4.7326 6.4279 109.6687 55.2147 41.1970 171.9376 122 T 5.3873 9.1883 115.7369 61.7808 71.4776 173.7854 123 I 4.6615 8.5702 118.1397 58.8445 40.4610 175.5652 124 S 4.9146 8.5206 118.1846 57.0145 63.0671 172.6829 125 P 4.4450 0.0000 0.0000 62.3267 32.7026 175.8778 126 I 4.5159 7.8874 120.3991 60.6568 38.1066 176.6068 127 V 3.8995 9.7032 118.1371 61.7029 32.4598 176.7938 128 G 3.9691 7.5904 105.7920 43.7279 0.0000 171.2347 129 K 4.3725 8.2258 121.7546 55.8216 32.3128 176.9140 130 A 3.9658 8.6807 131.1733 54.6675 18.9334 177.2717 131 S 4.1325 6.8388 113.7123 57.2032 63.0681 173.3736 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 7 V 8.05 3.90 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 0.96 0.00 0.00 0.94 0.00 0.00 8 D 7.66 4.52 0.00 2.88 2.58 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 9 P 0.00 4.29 0.00 2.23 2.21 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 10 R 8.05 4.32 0.00 1.98 2.02 0.00 3.21 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 11 A 7.87 4.45 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 12 K 8.37 4.13 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.51 7.81 13 W 8.82 4.36 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 14 Q 7.77 4.29 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 15 P 0.00 3.79 0.00 2.01 0.49 0.00 3.51 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 16 Q 8.40 4.70 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 17 D 8.46 5.47 0.00 2.76 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 18 N 9.22 5.00 0.00 2.85 2.91 0.00 0.00 6.51 8.59 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 19 D 8.06 4.40 0.00 2.67 2.59 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 20 I 7.91 2.79 1.32 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.14 0.00 0.00 21 Q 8.55 4.38 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 22 A 7.79 4.80 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 23 C 9.09 4.39 0.00 3.07 3.31 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 24 D 8.13 4.85 0.00 2.57 2.89 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 25 Y 8.61 4.71 0.00 3.26 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 26 W 7.69 4.75 0.00 3.84 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 27 R 5.93 3.74 0.00 1.47 1.64 0.00 3.00 0.00 0.00 2.72 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.11 5.05 0.00 3.65 3.39 0.00 5.64 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 29 C 8.14 2.96 0.00 1.23 2.45 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 0.00 0.00 0.00 0.00 30 S 7.74 4.96 0.00 3.92 3.99 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 31 I 7.68 3.53 1.66 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 1.03 1.04 0.87 0.00 0.00 32 D 8.59 4.84 0.00 2.81 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.94 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 0.00 0.00 0.00 0.00 34 N 10.10 5.43 0.00 2.73 2.82 0.00 0.00 7.36 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.16 4.33 1.85 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 1.13 0.77 0.93 0.00 0.00 36 C 8.75 4.25 0.00 3.11 3.12 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 37 D 8.10 4.29 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.85 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.19 4.60 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.73 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 41 G 7.64 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 0.00 0.00 0.00 42 S 8.29 5.02 0.00 3.86 3.80 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 43 L 8.62 4.03 0.00 1.63 1.64 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.79 4.52 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 1.17 0.00 0.00 45 N 7.98 5.08 0.00 2.71 2.67 0.00 0.00 6.94 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 46 C 8.35 4.81 0.00 2.89 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 47 P 0.00 4.64 0.00 2.04 2.05 0.00 3.48 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 48 P 0.00 4.34 0.00 2.03 1.98 0.00 3.70 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 2.02 2.07 0.00 49 G 8.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 6.90 4.25 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 0.08 0.00 0.00 51 K 8.99 4.65 0.00 1.58 1.78 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.62 7.81 52 L 8.46 4.57 0.00 1.71 1.54 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.71 4.74 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 54 T 8.64 4.32 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 1.29 0.00 0.00 55 A 7.87 4.87 1.29 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 0.00 0.00 56 S 7.56 3.66 0.00 3.96 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 *58 V 8.87 4.54 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 0.32 0.00 0.00 0.57 0.00 0.00 59 A 7.74 4.63 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.12 4.86 0.00 3.98 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 61 C 9.39 5.27 0.00 3.26 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.05 4.79 0.00 3.17 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 63 N 7.81 3.57 0.00 1.44 2.09 0.00 0.00 6.69 8.43 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 64 P 0.00 4.14 0.00 2.14 2.20 0.00 3.21 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 65 T 7.74 3.90 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 1.17 0.00 0.00 66 D 7.50 4.67 0.00 2.66 2.65 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 67 G 7.80 4.32 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 0.00 68 Q 7.87 4.26 0.00 2.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 69 S 7.73 5.03 0.00 3.68 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.06 5.25 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.78 4.89 0.00 1.85 1.55 1.05 0.94 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 72 I 8.33 4.68 1.10 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.35 0.00 0.00 73 A 8.05 4.14 1.10 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 0.00 0.00 0.00 0.00 0.00 74 Y 7.79 4.89 0.00 2.95 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 75 R 7.91 4.39 0.00 1.79 1.98 0.00 3.06 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 76 D 8.67 5.31 0.00 2.89 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 77 C 8.92 5.30 0.00 2.72 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 78 C 8.91 5.98 0.00 2.75 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 79 G 8.75 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 80 Y 7.61 4.91 0.00 2.68 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 81 N 8.46 4.55 0.00 2.65 2.71 0.00 0.00 6.97 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 82 V 8.68 3.94 2.28 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 0.87 0.00 0.00 1.10 0.00 0.00 83 S 8.34 4.10 0.00 3.94 3.87 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 84 G 7.71 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 85 R 7.88 4.54 0.00 1.77 1.82 0.00 3.32 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 86 C 8.65 4.39 0.00 3.05 3.04 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 87 P 0.00 5.05 0.00 2.19 2.16 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 88 C 9.14 4.99 0.00 2.79 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 89 L 8.06 4.82 0.00 1.55 1.49 0.98 0.85 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 90 N 9.19 5.23 0.00 2.63 2.41 0.00 0.00 6.05 6.59 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 91 T 7.85 5.09 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 1.17 0.00 0.00 92 E 8.16 3.95 0.00 1.81 1.80 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 1.83 1.71 0.00 93 G 8.85 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 0.00 0.00 0.00 94 E 7.88 4.22 0.00 2.00 1.87 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 2.51 2.58 0.00 95 L 8.65 4.71 0.00 1.74 1.48 0.92 0.67 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 96 P 0.00 4.48 0.00 1.63 1.99 0.00 3.31 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 2.01 2.04 0.00 97 V 8.62 3.57 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 0.85 0.00 0.00 0.94 0.00 0.00 98 Y 7.85 4.47 0.00 3.17 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 99 R 7.69 4.80 0.00 1.80 1.92 0.00 3.38 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.44 0.00 100 P 0.00 4.40 0.00 2.52 2.55 0.00 3.91 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 101 E 8.16 3.07 0.00 1.16 1.62 0.00 0.00 0.00 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 2.35 0.00 102 F 8.42 4.84 0.00 3.08 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 0.00 103 A 9.33 5.29 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 0.00 104 N 9.22 5.05 0.00 2.82 2.95 0.00 0.00 6.98 7.66 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 0.00 105 D 7.89 4.86 0.00 2.60 2.65 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 0.00 106 I 7.07 3.67 0.73 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 1.13 0.26 -0.16 0.00 0.00 107 I 7.51 3.90 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.91 0.00 0.00 108 W 8.53 4.90 0.00 3.63 3.22 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 0.00 109 C 7.10 4.80 0.00 2.72 3.22 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 0.00 110 F 7.42 4.58 0.00 3.28 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 0.00 111 G 9.24 3.99 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 0.00 0.00 0.00 112 A 7.64 4.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.74 3.92 0.00 2.07 1.90 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 2.40 2.42 0.00 114 D 9.62 4.55 0.00 2.78 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 0.00 115 D 7.93 4.44 0.00 2.86 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 0.00 116 A 7.76 4.07 1.25 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 0.00 0.00 0.00 117 M 8.60 4.62 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 118 T 7.58 4.47 4.28 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 1.23 0.00 0.00 119 Y 8.68 4.36 0.00 3.09 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 0.00 120 H 7.94 4.59 0.00 3.18 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.43 4.73 0.00 3.11 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 0.00 122 T 9.19 5.39 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 1.49 0.00 0.00 123 I 8.57 4.66 1.98 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 1.42 0.94 0.96 0.00 0.00 124 S 8.52 4.91 0.00 3.85 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 0.00 125 P 0.00 4.44 0.00 2.15 2.12 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 126 I 7.89 4.52 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.42 1.02 0.00 0.00 127 V 9.70 3.90 2.05 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 0.59 0.00 0.00 0.96 0.00 0.00 128 G 7.59 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 0.00 129 K 8.23 4.37 0.00 1.73 1.70 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.09 7.81 130 A 8.68 3.97 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 0.00 131 S 6.84 4.13 0.00 3.79 3.80 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 * Residues marked with a * may have inaccurate shift predictions.