NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5748 8.0700 122.2770 51.3597 21.5766 175.5578 3 D 4.8453 7.9015 117.4412 52.1876 44.0204 172.8940 4 L 4.9581 9.7017 126.8995 53.9624 44.4429 174.9781 5 R 5.0689 8.3804 119.6139 54.8762 32.9475 174.0519 6 L 5.0771 8.8992 125.4566 53.3075 46.2747 175.1720 7 E 5.2052 8.4956 116.9846 55.9584 32.2121 174.5000 8 R 4.4998 8.7391 119.1669 55.0531 35.0629 173.7209 9 E 4.7457 8.1472 122.4051 54.8834 31.8561 174.9614 10 F 4.8952 9.0437 121.9452 54.9776 43.8375 175.0334 11 A 4.6969 8.5037 124.4519 52.8547 18.2199 176.9483 12 V 4.5314 7.4446 112.2601 59.5700 36.0746 176.0720 13 A 4.3806 8.2854 122.4557 50.9411 20.2792 176.3972 14 P 4.2352 0.0000 0.0000 66.4748 31.0388 178.6067 15 E 3.9714 8.3191 117.2123 59.1305 29.4306 179.0759 16 A 4.0739 7.9278 120.0520 55.2303 18.4261 179.0099 17 L 3.9195 7.9815 117.5940 58.4763 42.3890 178.7203 18 F 4.1793 8.7567 120.4275 61.3222 39.3955 176.9226 19 A 4.1561 8.3144 120.3115 55.0257 17.9431 179.3565 20 W 4.0706 8.2615 115.8475 58.3917 29.2067 177.4732 21 V 4.9429 7.5907 110.7467 60.9784 32.1431 176.2378 22 S 4.5069 7.7235 114.1096 58.8397 65.1789 173.7927 23 D 4.7103 8.1891 122.0859 53.1826 41.4529 177.2060 24 G 3.5926 8.9729 111.5772 47.1758 0.0000 175.3880 25 A 3.8701 7.6959 121.4659 54.9510 18.6204 179.4487 26 K 3.6556 7.5066 116.1755 59.1047 32.1861 179.3378 27 L 3.6835 8.5090 120.4361 57.6920 41.3473 179.2706 28 L 3.9449 7.7155 115.5835 56.2189 41.4354 178.1884 29 Q 4.4190 7.9476 120.3902 56.8768 29.6834 175.7713 30 W 4.8626 7.6517 112.8098 55.1962 29.5983 175.3228 31 W 3.7575 7.5098 129.6989 58.8661 30.4752 174.4413 32 G 3.9153 7.5541 113.8777 44.3651 0.0000 171.6631 33 P 4.4516 0.0000 0.0000 61.8401 32.0083 175.7661 34 E 4.2197 8.3102 119.0701 57.2810 29.6999 176.2585 35 G 4.0801 8.8551 113.6027 45.0153 0.0000 173.2194 36 L 5.3074 7.7156 118.6409 53.9916 43.3487 175.4189 37 H 5.2434 9.0910 115.7060 53.9833 32.3185 172.3703 38 V 4.8405 8.5326 117.5212 58.2256 33.4255 173.9010 39 P 4.4115 0.0000 0.0000 62.0309 31.9811 177.2177 40 A 4.0768 8.6684 125.5839 54.9651 18.7401 178.0220 41 D 4.4276 8.3806 114.8295 56.9573 40.9219 176.5840 42 Q 4.5442 7.8320 121.6895 54.8420 30.1287 174.0205 43 H 3.1914 8.0271 116.6234 55.2921 30.8131 174.1197 44 D 4.2606 7.0843 118.5266 52.7125 41.3013 176.2784 45 L 3.7478 7.6124 122.5562 54.6533 41.4002 174.4902 46 D 3.8818 7.1977 120.6033 53.7164 43.4199 175.5755 47 F 5.0120 7.9844 127.5691 57.7515 39.4395 176.9393 48 T 4.3453 8.2526 117.3892 62.9189 67.7273 174.3570 49 R 4.7652 7.5223 115.3981 53.9883 32.6033 174.5665 50 L 4.2364 8.2307 118.9901 54.6438 42.5863 175.0756 51 G 3.7759 8.0599 104.6588 43.1297 0.0000 171.2086 52 P 4.9786 0.0000 0.0000 62.6332 31.9052 176.0256 53 W 5.4770 8.7232 119.8067 55.0235 31.8765 173.9122 54 F 4.5549 8.0710 114.9407 56.0782 41.6037 172.9858 55 S 4.2376 8.4220 109.2143 58.1119 66.0432 176.2314 56 V 5.5344 7.3524 119.8115 59.5619 35.0457 174.4333 *58 V 4.9151 8.4305 120.0590 64.0836 33.0865 176.6216 59 N 5.0414 8.5595 124.8627 51.2012 39.5069 175.4873 60 G 3.7992 7.9352 106.2025 47.2486 0.0000 173.6813 61 E 4.4612 8.8510 119.5991 55.5299 30.1166 176.5985 62 G 3.9896 8.3752 105.4459 45.5261 0.0000 174.1718 63 Q 4.0204 8.1366 119.9013 55.9926 29.2705 175.1794 64 R 5.0426 8.1016 121.5297 55.0586 32.6972 175.5703 65 Y 4.7350 8.4674 118.9034 56.6098 42.5216 173.5834 66 K 5.3418 9.2003 125.7399 54.5400 35.3047 174.8830 67 V 4.4493 8.4704 126.0514 59.9056 34.4691 174.9322 68 S 4.0892 8.5592 119.8708 56.2921 66.9341 172.8738 69 G 4.7658 6.3718 105.0033 46.7965 0.0000 171.7353 70 Q 5.2388 8.3717 117.2963 54.0739 33.3291 174.9593 71 V 4.3811 9.2147 125.1312 63.1757 31.9032 176.5563 72 T 4.5134 9.2279 119.7806 64.1002 70.0946 174.9525 73 H 4.8447 7.8003 115.4086 54.4691 31.8038 173.2798 74 V 4.2562 8.5377 120.7448 61.3489 33.5631 174.6382 75 K 4.2286 10.0925 132.1766 55.5311 30.5048 177.1747 76 P 3.6158 0.0000 0.0000 63.4503 32.5901 175.0538 77 P 3.9024 0.0000 0.0000 64.2373 31.9904 176.3304 78 Q 4.0187 7.0272 118.5533 56.9786 29.2164 177.3859 79 S 5.5143 7.6413 110.5774 58.1999 67.0512 172.8597 80 V 4.8894 8.8213 119.1088 61.3868 34.9016 174.7972 81 G 4.2462 8.5286 111.3374 44.7431 0.0000 171.6451 82 F 5.5371 8.3044 118.0890 55.4790 41.9590 173.8045 83 T 4.9051 9.6445 117.0331 63.3048 70.1812 173.7100 84 W 5.5848 9.8015 134.4158 55.8441 34.2903 174.3497 85 G 4.4034 8.3219 112.9652 45.0863 0.0000 172.6685 86 W 5.1044 8.9825 124.7456 56.7065 31.0512 174.7959 87 H 5.2383 9.0274 119.1421 54.1419 30.0046 175.0102 88 D 4.6332 8.6721 121.6801 54.0515 41.9627 176.2966 89 D 4.4554 9.3372 120.0041 55.9778 40.8623 177.1073 90 D 4.7770 7.2179 119.0720 53.6863 42.1469 175.3812 91 D 4.2797 8.2026 114.5011 55.2181 38.7167 174.6252 92 R 4.3456 7.3341 119.3266 54.2004 32.4068 173.5210 93 R 5.0354 7.7599 122.7526 55.0169 30.0796 176.6271 94 G 4.2712 8.6963 113.3447 45.4817 0.0000 174.0449 95 A 4.1411 8.8352 126.2978 52.7653 18.6483 176.4418 96 E 5.1155 8.9311 123.3355 54.7084 31.7966 174.7473 97 S 5.0034 9.6357 120.1037 56.9240 67.6936 171.6996 98 H 5.1534 8.9150 118.5093 54.5422 32.7867 172.7598 99 V 4.3526 7.9364 125.6690 59.8596 35.0407 173.5161 *101 F 5.3048 8.3090 118.2797 57.5967 40.3148 174.3399 102 I 4.8903 8.7784 123.7095 60.1084 41.5013 173.4648 103 V 4.2455 8.7059 122.9506 60.3836 31.7681 177.1860 104 E 3.8361 9.8484 135.0000 56.3283 28.4958 171.3302 105 P 5.0269 0.0000 0.0000 63.0962 32.5129 174.1120 106 C 4.7241 8.3150 114.0760 59.0419 34.4461 174.7908 *109 G 4.0122 7.6877 105.5571 44.2085 0.0000 175.0030 110 A 4.5728 8.1380 123.0073 50.8267 22.7590 174.9787 111 R 5.0927 8.4054 117.3082 54.2651 33.1622 174.2175 112 L 5.0079 9.3065 122.8789 53.4740 45.0046 174.9535 113 I 4.9580 8.8076 126.3147 59.3526 40.4664 173.9963 114 L 4.8613 9.2171 129.6307 53.1815 44.6779 174.3793 115 D 5.0643 8.5729 125.3961 52.7762 44.2931 173.4524 116 H 4.8771 8.9837 126.8231 54.6040 32.2700 173.1550 117 R 4.7613 8.5130 123.9313 53.9919 34.4583 174.7830 118 E 3.9003 8.5761 117.1243 57.4525 27.6599 174.2134 119 L 4.4495 8.0466 116.7561 53.2795 43.1510 177.8145 120 G 4.2667 8.4590 110.0256 48.1712 0.0000 172.8710 121 D 4.4433 7.3299 119.5986 53.5165 42.8005 176.2631 122 D 4.3327 8.6010 115.6926 57.6622 41.1988 178.7727 123 E 3.9198 8.6297 117.6968 57.0510 29.5177 178.1010 *125 S 4.3384 8.0544 112.1027 57.2660 64.2057 174.9139 126 L 4.2201 7.7328 121.1561 57.9281 42.0609 177.9099 127 R 3.9965 7.7163 118.1693 60.2500 29.8883 178.1894 128 H 4.1337 8.2473 115.1311 58.4981 28.8546 176.9171 129 E 4.1282 7.8265 120.3780 59.5767 29.4163 178.8262 130 E 4.1002 8.5600 117.7153 59.2834 29.4616 179.3595 131 G 3.4359 7.8313 106.2183 47.4882 0.0000 175.8037 132 W 4.3749 8.7357 122.2866 59.6176 28.5418 178.6944 133 T 3.9468 8.8054 116.1439 66.8834 67.7184 176.5556 134 S 4.1692 8.2140 113.9598 61.4639 62.1862 175.8451 135 S 4.3901 8.3389 115.9568 61.2598 62.0653 176.0971 136 L 4.0369 8.6504 122.2302 57.3422 41.2735 179.4832 137 R 3.9320 7.7177 117.3774 59.3736 30.0149 179.0952 138 K 4.0502 7.8552 117.0294 59.2289 31.9436 179.2267 139 L 3.4294 7.7263 119.8790 57.8275 41.9265 178.2366 140 A 3.9886 8.0055 120.8819 55.5176 18.1361 179.4545 141 A 3.8622 8.0171 118.7359 55.3391 18.2321 179.4688 142 E 3.7821 7.8645 116.7579 59.1180 29.9053 178.8585 143 L 3.4206 7.6337 119.2800 57.3651 41.5457 179.1755 144 A 4.0623 7.8616 119.2299 54.5383 18.3081 179.0053 145 L 4.1121 7.3989 116.4492 56.3535 41.9730 177.9403 146 E 4.2932 7.7330 116.3236 55.3220 30.4211 175.5975 147 H 4.4108 7.7939 120.6791 56.3054 29.0931 174.3252 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 A 8.07 4.57 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 3 D 7.90 4.85 0.00 2.64 2.51 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 0.00 0.00 0.00 0.00 4 L 9.70 4.96 0.00 1.75 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.38 5.07 0.00 1.73 1.77 0.00 3.37 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 6 L 8.90 5.08 0.00 1.53 1.42 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.50 5.21 0.00 1.97 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 2.14 2.28 0.00 8 R 8.74 4.50 0.00 1.12 1.45 0.00 3.08 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 9 E 8.15 4.75 0.00 1.83 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 2.11 2.37 0.00 10 F 9.04 4.90 0.00 2.93 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 11 A 8.50 4.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 4.53 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 0.72 0.00 0.00 0.92 0.00 0.00 13 A 8.29 4.38 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 14 P 0.00 4.24 0.00 2.32 2.41 0.00 3.75 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 15 E 8.32 3.97 0.00 2.12 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 2.41 2.44 0.00 16 A 7.93 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.98 3.92 0.00 1.64 1.97 0.48 1.05 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 18 F 8.76 4.18 0.00 3.30 3.25 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 19 A 8.31 4.16 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 20 W 8.26 4.07 0.00 3.50 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 21 V 7.59 4.94 2.23 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 0.69 0.00 0.00 0.90 0.00 0.00 22 S 7.72 4.51 0.00 4.03 3.53 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 0.00 0.00 0.00 0.00 23 D 8.19 4.71 0.00 2.75 2.43 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 24 G 8.97 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 25 A 7.70 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.51 3.66 0.00 1.41 1.23 0.00 0.90 0.00 0.00 1.26 0.00 0.00 2.70 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.21 7.81 27 L 8.51 3.68 0.00 1.23 1.03 -0.20 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.72 3.94 0.00 1.45 1.58 0.80 0.36 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 29 Q 7.95 4.42 0.00 2.35 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 30 W 7.65 4.86 0.00 3.66 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 31 W 7.51 3.76 0.00 3.09 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 32 G 7.55 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 33 P 0.00 4.45 0.00 2.10 1.94 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 34 E 8.31 4.22 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 2.28 0.00 35 G 8.86 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.72 5.31 0.00 1.66 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 37 H 9.09 5.24 0.00 3.08 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.53 4.84 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 0.85 0.00 0.00 0.83 0.00 0.00 39 P 0.00 4.41 0.00 2.29 2.30 0.00 3.96 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 2.13 2.02 0.00 40 A 8.67 4.08 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 41 D 8.38 4.43 0.00 2.67 2.76 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 42 Q 7.83 4.54 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 43 H 8.03 3.19 0.00 2.76 3.00 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.08 4.26 0.00 2.82 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 45 L 7.61 3.75 0.00 1.27 1.00 -0.31 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.20 3.88 0.00 2.34 2.29 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 47 F 7.98 5.01 0.00 2.86 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 48 T 8.25 4.35 4.27 0.00 0.00 0.00 0.00 0.00 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 49 R 7.52 4.77 0.00 1.90 1.85 0.00 3.19 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 50 L 8.23 4.24 0.00 1.69 1.72 0.97 1.08 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 51 G 8.06 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 52 P 0.00 4.98 0.00 2.09 2.07 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 53 W 8.72 5.48 0.00 3.54 3.25 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 54 F 8.07 4.55 0.00 2.97 2.85 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 55 S 8.42 4.24 0.00 3.75 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 56 V 7.35 5.53 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 0.96 0.00 0.00 1.04 0.00 0.00 *58 V 8.43 4.92 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 1.04 0.00 0.00 0.98 0.00 0.00 59 N 8.56 5.04 0.00 3.01 2.99 0.00 0.00 6.15 6.94 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 60 G 7.94 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 0.00 0.00 0.00 61 E 8.85 4.46 0.00 1.89 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 2.22 2.26 0.00 62 G 8.38 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 63 Q 8.14 4.02 0.00 2.42 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 64 R 8.10 5.04 0.00 1.60 1.85 0.00 3.21 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 65 Y 8.47 4.73 0.00 3.07 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 66 K 9.20 5.34 0.00 1.89 1.71 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.38 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 1.47 7.81 67 V 8.47 4.45 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 0.00 0.00 0.39 0.00 0.00 -1.04 0.00 0.00 68 S 8.56 4.09 0.00 3.52 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 6.37 4.77 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 0.00 0.00 0.00 70 Q 8.37 5.24 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 71 V 9.21 4.38 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 1.02 0.00 0.00 1.26 0.00 0.00 72 T 9.23 4.51 4.33 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 1.45 0.00 0.00 73 H 7.80 4.84 0.00 3.28 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.54 4.26 2.18 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 1.07 0.00 0.00 1.04 0.00 0.00 75 K 10.09 4.23 0.00 1.95 1.94 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.59 7.81 76 P 0.00 3.62 0.00 2.00 2.05 0.00 3.70 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 77 P 0.00 3.90 0.00 2.03 1.99 0.00 3.62 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 78 Q 7.03 4.02 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 79 S 7.64 5.51 0.00 4.20 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 80 V 8.82 4.89 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 0.58 0.00 0.00 1.02 0.00 0.00 81 G 8.53 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 0.00 0.00 0.00 0.00 82 F 8.30 5.54 0.00 2.99 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 83 T 9.64 4.91 4.64 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 1.43 0.00 0.00 84 W 9.80 5.58 0.00 3.54 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 85 G 8.32 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 0.00 0.00 0.00 0.00 86 W 8.98 5.10 0.00 3.47 3.24 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 87 H 9.03 5.24 0.00 3.20 3.25 0.00 5.68 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 D 8.67 4.63 0.00 2.89 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 89 D 9.34 4.46 0.00 2.62 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 90 D 7.22 4.78 0.00 2.79 2.61 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 91 D 8.20 4.28 0.00 2.80 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 92 R 7.33 4.35 0.00 1.83 1.72 0.00 3.24 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 93 R 7.76 5.04 0.00 1.87 1.57 0.00 2.65 0.00 0.00 3.87 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 94 G 8.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 4.14 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 96 E 8.93 5.12 0.00 2.05 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 2.32 2.53 0.00 97 S 9.64 5.00 0.00 4.08 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 0.00 98 H 8.91 5.15 0.00 3.29 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.94 4.35 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 0.00 0.00 0.18 0.00 0.00 0.52 0.00 0.00 *101 F 8.31 5.30 0.00 3.02 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 0.00 102 I 8.78 4.89 1.97 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 1.29 1.71 1.03 0.00 0.00 103 V 8.71 4.25 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 1.17 0.00 0.00 1.22 0.00 0.00 104 E 9.85 3.84 0.00 2.15 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 0.00 2.25 2.27 0.00 105 P 0.00 5.03 0.00 2.24 2.11 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 106 C 8.32 4.72 0.00 3.03 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 *109 G 7.69 4.01 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 0.00 0.00 0.00 110 A 8.14 4.57 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 0.00 111 R 8.41 5.09 0.00 2.02 1.99 0.00 3.00 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 112 L 9.31 5.01 0.00 1.78 1.74 0.86 0.97 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 0.00 113 I 8.81 4.96 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 1.11 0.58 0.90 0.00 0.00 114 L 9.22 4.86 0.00 1.43 1.40 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.57 5.06 0.00 2.67 2.41 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 0.00 116 H 8.98 4.88 0.00 3.04 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.51 4.76 0.00 1.79 1.79 0.00 3.31 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 118 E 8.58 3.90 0.00 2.10 2.07 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 2.23 2.41 0.00 119 L 8.05 4.45 0.00 1.59 1.55 0.74 0.42 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 0.00 120 G 8.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 4.44 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 0.00 122 D 8.60 4.33 0.00 2.74 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 0.00 123 E 8.63 3.92 0.00 1.96 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 2.32 2.42 0.00 *125 S 8.05 4.34 0.00 4.12 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 0.00 126 L 7.73 4.22 0.00 1.85 1.82 0.96 0.57 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 0.00 127 R 7.72 4.00 0.00 1.95 2.13 0.00 3.07 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 128 H 8.25 4.13 0.00 3.31 3.46 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.83 4.13 0.00 2.39 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 2.38 2.40 0.00 130 E 8.56 4.10 0.00 2.23 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 0.00 2.54 2.47 0.00 131 G 7.83 3.44 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 0.00 132 W 8.74 4.37 0.00 3.53 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 0.00 133 T 8.81 3.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 134 S 8.21 4.17 0.00 3.90 4.09 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 0.00 135 S 8.34 4.39 0.00 4.09 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 0.00 136 L 8.65 4.04 0.00 1.90 1.71 0.94 0.56 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 0.00 137 R 7.72 3.93 0.00 2.07 2.01 0.00 3.39 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 138 K 7.86 4.05 0.00 2.36 2.08 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.72 7.81 139 L 7.73 3.43 0.00 0.27 1.21 -0.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.01 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.02 3.86 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 0.00 142 E 7.86 3.78 0.00 2.16 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 2.70 2.52 0.00 143 L 7.63 3.42 0.00 1.58 1.37 -0.79 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.86 4.06 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 0.00 145 L 7.40 4.11 0.00 1.67 1.70 0.95 0.99 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 0.00 146 E 7.73 4.29 0.00 1.87 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 0.00 2.36 2.81 0.00 147 H 7.79 4.41 0.00 3.29 3.23 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.