NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4095 8.3193 115.4112 57.6621 64.9851 173.0981 8 C 4.6348 7.8364 113.0726 54.8588 32.3359 170.8971 9 I 4.2375 8.3375 119.8855 59.1274 39.7331 175.2557 10 Q 4.4248 8.4702 129.0811 54.7133 30.1687 174.7428 11 F 4.4674 8.7763 124.2966 55.9893 38.9657 176.7302 12 T 3.9339 8.4594 117.1144 63.7591 69.0600 175.3316 13 R 4.3256 7.9333 121.1526 57.3679 31.0357 177.2489 14 H 4.2339 8.1786 117.1391 58.9970 29.6254 177.0228 15 A 3.8685 7.9326 122.4820 55.3914 18.2549 179.6523 16 S 4.0662 8.0075 113.0713 61.7234 62.4900 176.6049 17 D 4.3395 8.0829 121.8825 57.1613 40.5230 178.9267 18 V 3.5682 7.4102 118.5300 65.6342 31.4173 177.9009 19 L 3.8385 7.9496 120.1089 58.2648 41.8973 179.0485 20 L 3.9842 7.6967 118.5991 57.5651 41.3713 179.0962 21 N 4.4596 7.8388 115.2098 55.5550 38.6932 177.3447 22 L 4.0093 8.0385 120.6264 57.9412 41.6965 178.9945 23 N 4.4948 8.6208 117.0840 56.8572 38.7846 177.1014 24 R 3.8957 7.8013 119.5788 59.0322 30.1626 178.7342 25 L 3.9788 8.2846 119.2580 57.9464 41.7111 179.4661 26 R 3.7905 8.4800 118.6195 59.8303 29.7548 178.7930 27 S 4.1775 8.5435 113.5439 60.9296 62.8049 175.8760 28 R 4.3896 8.0825 118.7075 55.4485 30.0280 176.4543 29 D 4.5190 7.6520 117.0644 54.8998 38.9334 173.3788 30 I 4.2244 7.7343 121.1046 60.9483 38.2273 176.5929 31 L 3.7562 8.8145 123.5455 54.9899 39.2124 174.7847 32 T 4.0695 7.2653 109.0986 62.4718 68.8348 173.4631 33 D 5.0395 8.5351 121.0002 52.7359 41.1989 175.3681 34 V 4.7157 7.5686 118.0997 60.8153 35.0834 173.0421 35 V 4.4515 9.1537 124.3716 61.5911 33.6254 174.2796 36 I 4.7845 8.8621 129.2966 59.9610 39.3848 174.7879 37 V 4.4408 9.0648 128.4807 61.4369 32.9205 174.7720 38 V 3.9227 8.1239 129.2445 61.7815 31.8404 175.4411 39 S 4.0338 8.7393 127.4815 59.3020 62.8348 171.2878 *41 E 4.0260 7.6112 118.6733 56.1594 30.8770 175.0180 42 Q 4.9953 8.1002 123.2743 54.7108 31.9672 175.2095 43 F 4.6616 8.6542 118.5907 56.8164 42.9976 174.3597 44 R 4.7952 8.7420 123.4482 56.0623 31.4760 176.0688 45 A 4.3578 8.1829 122.9622 51.9935 23.0409 173.8647 46 H 5.2117 8.8606 113.4744 54.4440 30.9739 176.8116 47 K 3.3628 9.6537 123.8220 59.5918 31.6629 179.5223 48 T 3.8213 7.7982 108.1771 65.0878 68.6706 175.9635 49 V 3.5384 7.5626 120.1789 65.5838 31.6877 177.5372 50 L 3.9714 7.4059 118.4989 58.5005 41.2457 179.6892 51 M 4.5218 7.8624 116.4449 58.2705 31.9750 178.3549 52 A 4.1870 7.8224 119.5683 54.2251 18.6625 177.8214 53 C 4.5283 7.6926 112.8414 60.3136 29.7738 174.6836 54 S 4.6799 7.8959 114.1766 55.8258 65.2872 174.5833 55 G 3.6207 8.8549 116.2557 47.4611 0.0000 175.0643 56 L 3.8129 7.6403 122.9488 58.2106 42.0941 178.8536 57 F 4.3038 7.9630 117.1714 60.8344 38.7446 177.0257 58 Y 4.0845 8.6087 119.3786 60.9557 38.3630 178.3430 59 S 4.1175 8.0421 112.8725 61.1067 62.6206 175.9087 60 I 3.6460 8.1692 122.9246 64.4323 36.6802 178.3008 61 F 4.4998 7.8617 116.4094 59.2779 38.8451 176.8638 62 T 4.5709 7.0618 108.4555 60.4677 69.2057 173.8730 63 D 4.6719 7.4687 122.6027 52.8170 41.0397 176.9954 64 Q 4.3296 8.5870 126.7415 58.3558 28.9128 178.1155 65 L 4.1492 8.0830 119.3581 57.2141 41.9885 177.8968 66 K 4.6335 8.5528 115.9761 57.1837 33.9781 177.7000 67 C 4.0185 8.3704 121.1340 63.1703 31.5122 174.2168 68 N 4.7254 8.0258 113.0049 53.3723 38.6878 175.4246 69 L 4.1329 7.2914 119.4614 55.3360 42.3163 177.2509 70 S 4.6100 8.7094 116.2873 58.9596 64.8437 173.4049 71 V 4.8855 7.8210 120.6538 61.0926 33.6471 174.5749 72 I 4.5530 8.5672 128.2930 59.6099 40.0801 174.3574 73 N 5.1317 8.8086 125.5322 51.9303 38.8080 175.5714 74 L 4.5423 8.2416 132.6921 54.6914 43.5414 177.2663 *77 E 4.1016 8.6967 125.5554 57.2820 30.6307 174.9621 78 I 4.6269 7.8406 120.9066 58.9023 40.7313 175.4069 79 N 4.4915 8.6335 121.5533 52.5220 38.0229 174.0293 80 P 4.4060 0.0000 0.0000 65.7537 31.5489 178.1798 81 E 4.1328 8.5019 117.8395 59.5104 29.4344 178.9262 82 G 4.2256 8.1859 106.2898 47.2661 0.0000 175.2318 83 F 3.9372 7.9833 123.0701 60.9668 39.3360 176.3417 84 C 3.5779 8.3331 118.7565 62.8198 31.3093 175.6321 85 I 3.6858 7.4920 120.6492 64.6030 36.7449 178.5346 86 L 4.0509 7.7809 119.5785 57.5610 41.2334 179.2982 87 L 3.8866 8.0814 120.7297 57.8679 41.9305 178.9065 88 D 4.3610 8.4101 119.4183 57.2250 40.8418 177.9929 89 F 4.3921 8.0749 122.5299 61.1349 39.0783 177.0645 90 M 3.7765 7.9594 116.3093 58.4524 31.8931 177.7843 91 Y 4.2074 7.6875 114.3439 58.9667 38.4888 176.1449 92 T 4.4473 7.2630 106.9732 59.9512 70.2841 175.1974 93 S 3.5664 8.4039 116.7547 58.4679 61.3726 169.7354 94 R 4.6236 7.5086 119.4129 54.1390 31.7657 174.6808 95 L 4.5589 8.5424 124.5862 53.3974 42.7997 175.7365 96 N 4.5285 8.6413 124.8441 52.4314 37.6742 174.9440 97 L 4.4706 8.0599 124.0867 52.7700 42.5671 176.4410 98 R 4.6723 8.2342 122.3472 53.7059 32.8089 177.6864 99 E 4.0408 8.8572 119.0157 59.4947 29.5221 178.4571 100 G 4.0806 8.0221 105.5494 45.3566 0.0000 173.5358 101 N 4.9678 8.1640 115.1392 50.9455 39.1594 176.1613 102 I 3.5522 7.9324 119.2938 64.5675 37.8838 177.3826 103 M 4.0243 7.9658 118.6901 58.3084 31.8834 178.3222 104 A 4.0101 7.9458 120.4349 55.1457 18.5691 179.6146 105 V 3.4586 8.4350 116.9967 66.4064 31.7247 177.6685 106 M 3.9233 8.3311 117.9698 58.7155 31.9188 178.2070 107 A 3.9722 8.4827 120.8747 55.6120 18.7751 179.6126 108 T 3.9293 8.2308 114.3761 66.8837 68.4797 176.7106 109 A 3.9900 8.6763 122.8647 55.3781 18.4120 179.5080 110 M 4.0159 8.1265 117.2576 58.8528 31.8374 178.4211 111 Y 4.2531 7.7942 117.9503 59.9873 39.1624 176.8091 112 L 4.0089 7.8129 118.1218 53.9795 42.0052 176.5998 113 Q 3.5293 7.5016 116.4933 57.3675 26.7124 174.7875 114 M 4.3414 8.0785 119.7882 53.8522 31.2761 177.0170 115 E 3.8450 8.4159 123.9242 59.6152 30.1501 177.9437 116 H 4.2390 7.8543 115.5972 58.5919 28.7290 177.9055 117 V 3.3979 7.6028 119.9573 65.7047 31.5121 178.1966 118 V 3.5351 7.6108 117.5587 66.1627 31.2407 177.7271 119 D 4.4067 8.1164 117.5983 57.6176 40.7882 178.9382 120 T 4.0344 8.0694 116.1514 67.0236 68.7412 176.5441 121 C 3.9685 8.3745 118.9175 63.1273 28.0611 176.6648 122 R 3.9781 7.9450 119.2861 59.2918 29.4241 179.2229 123 K 4.0745 8.1459 117.5763 59.1052 32.0848 179.0287 124 F 4.0963 8.1455 119.9730 61.4569 39.5900 176.5871 125 I 3.8993 7.9150 119.3941 64.4446 36.7779 178.2891 126 K 3.9978 8.1712 119.3332 59.0287 32.4237 177.2011 127 A 4.2930 7.4245 126.8034 52.2936 19.0219 176.5555 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 S 8.32 4.41 0.00 3.99 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 8 C 7.84 4.63 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 9 I 8.34 4.24 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.70 0.99 0.00 0.00 10 Q 8.47 4.42 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 11 F 8.78 4.47 0.00 3.08 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 12 T 8.46 3.93 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 1.20 0.00 0.00 13 R 7.93 4.33 0.00 1.90 2.04 0.00 3.21 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 14 H 8.18 4.23 0.00 3.19 3.35 0.00 5.64 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 15 A 7.93 3.87 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 16 S 8.01 4.07 0.00 4.01 3.91 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 0.00 0.00 0.00 17 D 8.08 4.34 0.00 2.64 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 18 V 7.41 3.57 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 0.91 0.00 0.00 0.76 0.00 0.00 19 L 7.95 3.84 0.00 1.84 1.57 0.73 0.39 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 20 L 7.70 3.98 0.00 1.71 1.71 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.84 4.46 0.00 2.94 2.84 0.00 0.00 6.86 6.62 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 22 L 8.04 4.01 0.00 1.85 1.75 0.80 0.31 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 23 N 8.62 4.49 0.00 3.15 2.88 0.00 0.00 7.27 8.44 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 24 R 7.80 3.90 0.00 1.98 1.97 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 25 L 8.28 3.98 0.00 2.00 1.96 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.48 3.79 0.00 1.50 1.80 0.00 2.70 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 27 S 8.54 4.18 0.00 3.82 3.90 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 28 R 8.08 4.39 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 29 D 7.65 4.52 0.00 2.84 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 30 I 7.73 4.22 1.89 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 1.30 1.06 0.92 0.00 0.00 31 L 8.81 3.76 0.00 1.83 1.84 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.27 4.07 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 1.08 0.00 0.00 33 D 8.54 5.04 0.00 2.63 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 34 V 7.57 4.72 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 0.65 0.00 0.00 1.13 0.00 0.00 35 V 9.15 4.45 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 0.95 0.00 0.00 0.94 0.00 0.00 36 I 8.86 4.78 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.98 0.00 0.00 37 V 9.06 4.44 2.24 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 0.95 0.00 0.00 0.94 0.00 0.00 38 V 8.12 3.92 2.15 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 0.80 0.00 0.00 0.24 0.00 0.00 39 S 8.74 4.03 0.00 4.27 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 *41 E 7.61 4.03 0.00 2.03 1.72 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 1.88 2.18 0.00 42 Q 8.10 5.00 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 43 F 8.65 4.66 0.00 3.11 3.07 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 44 R 8.74 4.80 0.00 1.67 1.82 0.00 3.22 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 45 A 8.18 4.36 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 46 H 8.86 5.21 0.00 3.11 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.65 3.36 0.00 1.44 1.20 0.00 1.49 0.00 0.00 1.25 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.52 1.32 7.81 48 T 7.80 3.82 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 1.16 0.00 0.00 49 V 7.56 3.54 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 0.42 0.00 0.00 0.65 0.00 0.00 50 L 7.41 3.97 0.00 1.75 1.51 0.19 0.80 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 51 M 7.86 4.52 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.85 0.00 52 A 7.82 4.19 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 53 C 7.69 4.53 0.00 3.00 3.05 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 54 S 7.90 4.68 0.00 4.00 4.16 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 0.00 0.00 0.00 55 G 8.85 3.62 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 0.00 0.00 0.00 56 L 7.64 3.81 0.00 1.40 1.47 0.57 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.96 4.30 0.00 3.36 3.39 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 58 Y 8.61 4.08 0.00 3.46 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 59 S 8.04 4.12 0.00 3.97 4.10 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 60 I 8.17 3.65 1.46 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.21 0.00 0.00 61 F 7.86 4.50 0.00 2.99 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 62 T 7.06 4.57 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 0.61 0.00 0.00 63 D 7.47 4.67 0.00 2.74 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 64 Q 8.59 4.33 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 65 L 8.08 4.15 0.00 1.61 1.94 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.55 4.63 0.00 1.83 1.89 0.00 1.24 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.45 7.81 67 C 8.37 4.02 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 68 N 8.03 4.73 0.00 2.78 2.87 0.00 0.00 6.91 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 69 L 7.29 4.13 0.00 1.81 1.83 0.95 0.84 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 70 S 8.71 4.61 0.00 3.92 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 71 V 7.82 4.89 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 0.87 0.00 0.00 0.96 0.00 0.00 72 I 8.57 4.55 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.96 0.00 0.00 73 N 8.81 5.13 0.00 2.62 2.78 0.00 0.00 7.21 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 74 L 8.24 4.54 0.00 1.58 1.52 0.99 0.79 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 *77 E 8.70 4.10 0.00 1.93 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 2.17 2.26 0.00 78 I 7.84 4.63 1.92 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 1.43 1.02 1.08 0.00 0.00 79 N 8.63 4.49 0.00 3.00 2.99 0.00 0.00 6.22 7.76 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 80 P 0.00 4.41 0.00 2.33 2.37 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 81 E 8.50 4.13 0.00 2.09 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 2.42 2.45 0.00 82 G 8.19 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 0.00 0.00 0.00 83 F 7.98 3.94 0.00 3.22 2.94 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 84 C 8.33 3.58 0.00 3.17 3.15 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 85 I 7.49 3.69 1.96 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 1.53 1.01 0.95 0.00 0.00 86 L 7.78 4.05 0.00 1.60 1.56 0.87 0.35 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 87 L 8.08 3.89 0.00 1.30 1.62 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.41 4.36 0.00 2.99 2.73 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 0.00 0.00 0.00 0.00 89 F 8.07 4.39 0.00 3.14 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 90 M 7.96 3.78 0.00 1.93 2.31 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.65 0.00 91 Y 7.69 4.21 0.00 2.94 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 92 T 7.26 4.45 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 1.27 0.00 0.00 93 S 8.40 3.57 0.00 3.93 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 94 R 7.51 4.62 0.00 1.93 1.86 0.00 3.11 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 95 L 8.54 4.56 0.00 1.51 1.55 0.62 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.64 4.53 0.00 2.74 2.77 0.00 0.00 6.98 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 97 L 8.06 4.47 0.00 1.15 0.83 0.56 0.72 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 98 R 8.23 4.67 0.00 1.87 1.81 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 99 E 8.86 4.04 0.00 1.98 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 2.39 2.52 0.00 100 G 8.02 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 0.00 101 N 8.16 4.97 0.00 2.92 2.98 0.00 0.00 6.61 7.18 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 0.00 102 I 7.93 3.55 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 1.02 0.00 0.00 103 M 7.97 4.02 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 104 A 7.95 4.01 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 0.00 105 V 8.43 3.46 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 0.88 0.00 0.00 0.95 0.00 0.00 106 M 8.33 3.92 0.00 2.14 2.08 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 2.59 2.58 0.00 107 A 8.48 3.97 1.34 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 0.00 0.00 108 T 8.23 3.93 4.36 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 1.39 0.00 0.00 109 A 8.68 3.99 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 0.00 110 M 8.13 4.02 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 111 Y 7.79 4.25 0.00 2.89 3.18 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 0.00 112 L 7.81 4.01 0.00 1.77 1.69 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.50 3.53 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.08 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 114 M 8.08 4.34 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 115 E 8.42 3.84 0.00 1.93 1.68 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 2.41 2.34 0.00 116 H 7.85 4.24 0.00 3.30 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.60 3.40 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 0.41 0.00 0.00 118 V 7.61 3.54 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 0.97 0.00 0.00 1.02 0.00 0.00 119 D 8.12 4.41 0.00 2.74 2.73 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 0.00 0.00 0.00 0.00 120 T 8.07 4.03 4.36 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 1.22 0.00 0.00 121 C 8.37 3.97 0.00 3.02 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 0.00 122 R 7.94 3.98 0.00 2.10 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 123 K 8.15 4.07 0.00 1.89 1.89 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 124 F 8.15 4.10 0.00 3.03 3.05 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 0.00 125 I 7.92 3.90 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.60 0.94 0.00 0.00 126 K 8.17 4.00 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.45 7.81 127 A 7.42 4.29 1.12 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.