NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8846 8.4545 109.7367 45.1182 0.0000 173.5894 *2 V 3.5925 7.8760 126.5183 59.8727 31.6276 171.3979 3 S 4.7755 8.3101 113.4756 58.6913 69.5702 174.9621 4 E 4.5700 8.2171 118.9391 56.4448 31.8794 175.7873 5 T 4.6151 7.4872 113.7180 61.6091 72.5722 172.5200 6 A 4.5922 8.4254 128.5654 50.5634 19.9840 175.7041 7 P 4.4215 0.0000 0.0000 62.1519 32.3014 177.6870 8 A 4.0907 8.5121 123.4146 54.9745 18.5024 179.9182 9 S 4.2957 8.0531 109.1017 60.3188 63.3272 174.9995 10 R 4.4535 7.8315 118.9107 55.9253 30.2494 175.4509 11 R 4.7799 7.6093 118.0970 54.3334 33.3785 174.4408 12 G 4.1076 8.1058 107.9264 44.9458 0.0000 172.9217 13 E 3.9662 8.7252 119.7247 56.9286 29.9651 176.6857 14 L 4.5053 8.2389 122.3736 53.3385 43.5471 175.9016 15 A 4.5414 8.1153 123.5030 51.1108 20.1691 178.3438 16 V 3.8100 8.2132 120.3216 63.8802 32.1697 176.7228 17 C 5.2777 7.7664 116.7784 54.8438 44.5805 173.9245 18 D 4.6903 9.5491 125.1749 54.3509 41.5108 175.5141 19 A 5.2510 8.4733 123.3091 50.1751 23.2116 175.1962 20 V 4.3429 8.6781 118.1019 61.5884 34.8298 174.4812 21 S 4.9411 8.2782 123.2097 57.0974 65.7216 173.0805 22 G 3.7659 7.3970 107.2684 45.5036 0.0000 172.5128 23 W 5.3708 8.6948 120.1559 56.0571 30.7504 176.6316 24 V 4.5467 9.5674 124.3392 61.8117 32.8351 175.7848 25 T 4.6722 8.9251 117.5991 61.5589 69.5128 174.5148 26 D 4.9032 8.0177 121.3406 53.0949 39.8484 175.6490 27 R 4.3276 8.3161 120.6992 56.7224 30.3297 175.6441 28 R 4.6934 8.6026 124.3129 56.8638 32.2249 175.8751 29 T 5.6675 7.7788 106.6392 59.5079 72.6310 172.2572 30 A 4.3600 8.0537 121.5392 51.7103 22.8625 174.8470 31 V 4.7595 7.9589 119.0599 61.6293 33.7931 175.5372 32 D 5.6859 8.7913 128.1219 51.7750 41.7387 176.4053 33 L 4.0229 8.6797 119.2882 57.8846 42.1825 178.5716 34 R 4.4154 9.6414 116.7831 55.7805 30.3967 177.1126 35 G 4.0450 8.1554 107.2247 45.0848 0.0000 174.5122 36 R 4.1994 7.7302 118.8617 56.0772 31.4225 175.3374 37 E 4.8294 8.6554 123.3203 55.9278 30.9820 175.5533 38 V 4.6365 8.9793 118.4049 59.6640 37.0292 173.6333 39 E 4.8849 9.1023 123.2709 55.2358 31.2392 174.8063 40 V 4.5773 8.6947 127.4251 60.9845 32.7151 175.5623 41 L 4.2179 8.4751 128.5604 54.9429 42.2440 177.7307 42 G 4.0498 8.7806 107.3138 47.3131 0.0000 172.9129 43 E 5.3842 7.8486 117.1622 54.8848 32.7909 174.6448 44 V 4.5054 9.0576 121.8800 60.0861 34.9862 172.8563 45 P 4.7142 0.0000 0.0000 62.5975 31.9107 176.5270 46 A 4.1992 8.6071 127.1051 51.5943 18.9847 177.3173 47 A 3.9596 8.2543 119.8941 54.6884 18.4283 178.3385 48 G 5.0443 7.0675 110.9394 46.0263 0.0000 173.5095 49 G 4.0457 7.8534 117.8589 45.7136 0.0000 176.0850 50 S 4.0017 8.0439 120.0239 54.3807 63.8646 171.0181 51 P 4.7439 0.0000 0.0000 62.3537 31.8689 175.5194 52 L 4.8284 8.5284 125.8727 52.8692 45.2317 175.8020 53 R 4.4853 8.7158 124.6108 56.5123 30.9186 175.5275 54 Q 4.5971 8.5193 125.1805 54.6767 30.3265 174.0428 55 Y 4.8906 7.7988 123.1765 55.6791 41.9742 173.4639 56 F 5.1756 9.2208 116.5697 55.8842 44.0233 174.2675 57 F 5.1199 9.2577 122.7175 57.0961 40.0838 174.3861 58 E 4.9208 8.5577 125.8587 54.7037 33.0958 175.5698 59 T 4.8989 8.4606 118.7883 61.8752 71.3119 173.6851 60 R 4.6697 8.4913 122.6911 54.0808 33.0122 174.6240 61 C 4.8296 8.5011 116.6857 56.4413 42.5221 173.7677 62 K 4.2832 8.8071 124.0057 56.2515 32.9224 176.2742 63 A 4.3987 8.4630 129.9514 51.5558 19.2890 176.7097 64 D 4.4493 8.2261 120.8950 53.1425 42.2884 173.6971 *71 P 4.2532 0.0000 0.0000 63.5714 32.1772 176.9378 72 G 3.9850 8.6972 111.4039 45.3783 0.0000 173.5155 73 A 4.7381 7.8235 122.4111 50.5596 20.0249 176.7057 74 G 3.6886 8.3319 109.7484 46.8913 0.0000 173.0726 75 G 4.3145 8.8552 113.7704 45.1142 0.0000 174.2489 76 G 3.9341 7.4227 105.1620 44.8002 0.0000 173.7590 77 G 4.6895 8.5336 106.8730 46.3608 0.0000 173.7566 78 C 5.0701 8.9565 118.5884 55.6675 42.1608 173.4990 79 R 4.1514 8.6516 122.4548 57.4470 30.1742 177.2312 80 G 3.9750 8.8726 112.9286 45.3169 0.0000 173.8117 81 V 3.6730 6.8593 118.9280 62.3657 32.3647 175.5990 82 D 4.6392 8.6009 126.1007 53.3176 39.7625 176.7511 83 R 4.3593 8.4319 126.2917 58.3573 30.4390 179.6494 84 R 3.6693 8.0371 116.5002 58.8793 30.2577 176.8028 85 H 4.8376 8.2436 111.4337 54.8127 31.2276 173.4662 86 W 5.7601 8.0372 117.6012 54.8374 34.2965 174.3147 87 V 4.5216 9.2922 122.3830 61.3668 33.3546 174.5797 88 S 5.8709 8.6423 121.7459 55.9198 66.6716 172.4462 89 E 5.1505 8.1686 118.4861 55.1263 33.6907 173.1148 90 C 4.8948 8.7345 123.5464 56.3369 39.4946 172.9610 91 K 5.0453 9.1830 122.4731 54.2046 36.4588 175.3141 92 A 4.6259 8.5457 124.0674 51.7247 19.4518 176.6883 93 K 4.4821 9.5357 124.8987 54.8144 34.3718 175.2249 94 Q 5.0363 8.5374 125.6086 54.6136 31.1442 174.5137 95 S 4.6556 8.7358 115.3729 56.8807 66.7585 171.8999 96 Y 5.3681 8.4989 120.5512 56.8810 39.2785 175.6572 97 V 5.1183 9.0187 116.0870 59.6446 36.3696 174.7941 98 R 4.3657 8.5755 122.7431 56.0267 30.9792 175.3364 99 A 5.1728 8.9628 125.6264 50.4843 23.5979 175.0403 100 L 3.7257 8.8583 123.6803 54.6875 43.1632 176.0497 101 T 5.1181 8.9662 115.9349 60.0845 73.3316 172.2555 102 A 5.1749 8.8054 122.2464 50.3007 22.3286 176.3859 103 D 4.7814 8.6455 122.3464 51.5587 41.3929 176.4505 104 A 4.0842 8.7210 121.7220 55.6531 17.4710 178.6683 105 Q 3.9945 7.6913 113.6267 55.9970 29.1081 176.6338 106 G 4.5879 7.9221 118.8422 45.5899 0.0000 172.9059 107 R 3.9802 7.5185 120.7927 56.4781 30.8506 175.9893 108 V 4.4173 8.6108 124.5440 61.1507 33.1734 175.3416 109 G 4.0744 8.2215 114.7363 45.6398 0.0000 171.1390 110 W 5.0277 8.3055 120.5383 56.5513 29.5130 176.5260 111 R 4.7248 9.0456 123.1012 54.0620 34.9035 174.7603 112 W 5.0742 8.7729 121.3795 56.1824 30.1486 175.8663 113 I 5.1549 8.9092 119.4372 59.3601 40.2064 174.4636 114 R 5.1219 8.5042 119.7616 54.4851 31.1140 175.4135 115 I 4.6778 8.3519 114.8276 58.9907 41.9889 173.6981 116 D 5.0491 8.3593 121.8784 54.2011 41.6615 177.1359 117 T 4.7759 8.5246 111.0060 60.7341 70.3568 173.0580 118 A 4.3498 7.3161 122.1117 51.8139 22.7005 175.7697 119 C 5.2386 8.8783 119.2697 55.2256 43.3393 173.6042 120 V 4.4096 8.8411 120.0574 59.8846 34.7441 173.7155 121 C 5.3926 8.5570 121.7075 55.1711 45.8501 172.7560 122 T 4.8164 8.7188 115.8182 59.8812 71.3063 172.9928 123 L 5.4017 8.2837 122.2606 53.3404 45.6712 175.9997 124 L 4.8040 8.7975 119.8586 53.5154 46.4132 175.3637 125 S 3.8133 9.1327 119.5464 58.4529 62.4800 173.5202 126 R 3.9433 8.3390 127.1253 59.9491 29.8659 176.5614 127 T 4.0199 7.5383 116.2102 62.2774 67.4229 174.2695 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 1 G 8.45 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 0.00 0.00 0.00 *2 V 7.88 3.59 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 0.73 0.00 0.00 0.93 0.00 0.00 3 S 8.31 4.78 0.00 3.91 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 4 E 8.22 4.57 0.00 1.90 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 2.17 2.28 0.00 5 T 7.49 4.62 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 6 A 8.43 4.59 1.23 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 7 P 0.00 4.42 0.00 2.19 1.98 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 8 A 8.51 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 9 S 8.05 4.30 0.00 3.99 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 10 R 7.83 4.45 0.00 1.95 1.97 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 11 R 7.61 4.78 0.00 1.78 1.86 0.00 3.15 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 12 G 8.11 4.11 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 0.00 0.00 0.00 13 E 8.73 3.97 0.00 1.96 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 2.31 2.34 0.00 14 L 8.24 4.51 0.00 1.62 1.58 0.92 0.87 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 15 A 8.12 4.54 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 16 V 8.21 3.81 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 0.90 0.00 0.00 0.94 0.00 0.00 17 C 7.77 5.28 0.00 2.91 2.96 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 18 D 9.55 4.69 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.47 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.68 4.34 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 0.90 0.00 0.00 0.90 0.00 0.00 21 S 8.28 4.94 0.00 3.56 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 22 G 7.40 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 0.00 0.00 0.00 23 W 8.69 5.37 0.00 3.29 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 24 V 9.57 4.55 2.42 0.00 0.00 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 1.04 0.00 0.00 25 T 8.93 4.67 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 1.10 0.00 0.00 26 D 8.02 4.90 0.00 2.78 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 27 R 8.32 4.33 0.00 1.92 2.15 0.00 2.91 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 28 R 8.60 4.69 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 29 T 7.78 5.67 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 1.22 0.00 0.00 30 A 8.05 4.36 1.17 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 0.00 0.00 31 V 7.96 4.76 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 1.13 0.00 0.00 0.94 0.00 0.00 32 D 8.79 5.69 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 33 L 8.68 4.02 0.00 1.62 1.76 0.18 0.70 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 34 R 9.64 4.42 0.00 1.84 1.95 0.00 3.24 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 35 G 8.16 4.04 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 0.00 0.00 0.00 36 R 7.73 4.20 0.00 2.00 1.88 0.00 3.28 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 37 E 8.66 4.83 0.00 1.99 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 2.27 2.46 0.00 38 V 8.98 4.64 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 0.76 0.00 0.00 1.00 0.00 0.00 39 E 9.10 4.88 0.00 2.07 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 2.24 2.29 0.00 40 V 8.69 4.58 2.38 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 1.11 0.00 0.00 0.96 0.00 0.00 41 L 8.48 4.22 0.00 1.60 1.51 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.78 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 43 E 7.85 5.38 0.00 2.06 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 0.00 2.14 2.26 0.00 44 V 9.06 4.51 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 1.24 0.00 0.00 0.88 0.00 0.00 45 P 0.00 4.71 0.00 2.17 2.08 0.00 3.92 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 46 A 8.61 4.20 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 47 A 8.25 3.96 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 48 G 7.07 5.04 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 0.00 0.00 0.00 49 G 7.85 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 50 S 8.04 4.00 0.00 3.87 3.73 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 51 P 0.00 4.74 0.00 1.96 2.06 0.00 3.66 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 2.01 2.07 0.00 52 L 8.53 4.83 0.00 1.75 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.72 4.49 0.00 1.77 1.86 0.00 3.36 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 54 Q 8.52 4.60 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 1.82 2.13 0.00 55 Y 7.80 4.89 0.00 3.18 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 56 F 9.22 5.18 0.00 3.12 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 57 F 9.26 5.12 0.00 3.03 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 58 E 8.56 4.92 0.00 1.86 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 0.00 2.22 2.33 0.00 59 T 8.46 4.90 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 1.18 0.00 0.00 60 R 8.49 4.67 0.00 1.82 1.96 0.00 2.73 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 61 C 8.50 4.83 0.00 2.86 3.03 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 0.00 0.00 0.00 62 K 8.81 4.28 0.00 1.91 1.65 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.27 7.81 63 A 8.46 4.40 1.23 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 64 D 8.23 4.45 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.10 2.03 0.00 3.70 0.00 0.00 3.66 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 72 G 8.70 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 73 A 7.82 4.74 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 74 G 8.33 3.69 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 0.00 0.00 0.00 75 G 8.86 4.31 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 0.00 76 G 7.42 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 0.00 0.00 0.00 77 G 8.53 4.69 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 0.00 0.00 0.00 78 C 8.96 5.07 0.00 2.85 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 79 R 8.65 4.15 0.00 1.74 1.90 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 80 G 8.87 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 81 V 6.86 3.67 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 0.81 0.00 0.00 0.86 0.00 0.00 82 D 8.60 4.64 0.00 2.84 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 83 R 8.43 4.36 0.00 1.93 1.99 0.00 3.46 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 84 R 8.04 3.67 0.00 1.66 1.81 0.00 3.05 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 85 H 8.24 4.84 0.00 2.71 2.63 0.00 5.58 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 86 W 8.04 5.76 0.00 3.14 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 87 V 9.29 4.52 2.26 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 1.05 0.00 0.00 0.98 0.00 0.00 88 S 8.64 5.87 0.00 3.92 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 89 E 8.17 5.15 0.00 2.09 1.76 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 2.20 2.48 0.00 90 C 8.73 4.89 0.00 3.08 2.97 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 91 K 9.18 5.05 0.00 1.59 1.61 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.34 7.81 92 A 8.55 4.63 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 0.00 0.00 0.00 0.00 0.00 93 K 9.54 4.48 0.00 1.68 1.62 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.50 7.81 94 Q 8.54 5.04 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 95 S 8.74 4.66 0.00 3.82 3.66 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 96 Y 8.50 5.37 0.00 2.85 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 97 V 9.02 5.12 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 0.93 0.00 0.00 1.07 0.00 0.00 98 R 8.58 4.37 0.00 0.93 1.46 0.00 2.32 0.00 0.00 2.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 99 A 8.96 5.17 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 0.00 100 L 8.86 3.73 0.00 0.49 1.10 0.36 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.97 5.12 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 1.28 0.00 0.00 102 A 8.81 5.17 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 0.00 0.00 0.00 0.00 0.00 103 D 8.65 4.78 0.00 2.83 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 0.00 104 A 8.72 4.08 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 0.00 105 Q 7.69 3.99 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 106 G 7.92 4.59 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 0.00 107 R 7.52 3.98 0.00 2.17 1.89 0.00 3.23 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 0.00 108 V 8.61 4.42 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 0.63 0.00 0.00 0.94 0.00 0.00 109 G 8.22 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 0.00 110 W 8.31 5.03 0.00 3.08 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 0.00 111 R 9.05 4.72 0.00 1.74 1.82 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 112 W 8.77 5.07 0.00 3.23 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 0.00 113 I 8.91 5.15 1.89 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.97 0.00 0.00 114 R 8.50 5.12 0.00 1.49 1.44 0.00 3.15 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 115 I 8.35 4.68 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.64 0.00 0.00 116 D 8.36 5.05 0.00 2.65 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 0.00 117 T 8.52 4.78 4.29 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 1.25 0.00 0.00 118 A 7.32 4.35 1.19 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 0.00 0.00 0.00 119 C 8.88 5.24 0.00 2.92 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 0.00 120 V 8.84 4.41 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 0.59 0.00 0.00 0.93 0.00 0.00 121 C 8.56 5.39 0.00 2.91 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 8.72 4.82 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 1.18 0.00 0.00 123 L 8.28 5.40 0.00 1.21 1.30 -0.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.80 4.80 0.00 1.84 1.62 0.96 0.72 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 0.00 125 S 9.13 3.81 0.00 3.52 3.63 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 0.00 126 R 8.34 3.94 0.00 1.62 1.94 0.00 3.36 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 127 T 7.54 4.02 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 1.11 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.