NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2558 8.3149 121.7925 55.1545 32.0448 175.1896 11 P 4.3726 0.0000 0.0000 63.2091 32.6238 173.7007 12 K 5.0531 10.1057 123.4638 54.8548 38.0257 174.4521 13 L 5.0325 9.2591 120.7328 53.3109 45.0453 176.7188 14 L 4.9301 8.6156 124.1026 53.7285 41.2881 173.7101 15 Y 4.8936 9.3706 125.3738 57.5258 40.5394 173.5120 16 C 4.0201 8.9843 129.3963 57.3620 32.0208 173.8375 17 S 3.8005 7.8448 122.2876 61.3405 62.4071 174.0491 18 N 4.4688 7.3100 118.8935 54.0932 36.4556 174.4028 19 G 3.7739 8.2794 111.2969 43.7618 0.0000 170.9715 20 G 3.5053 7.0921 107.1576 44.8359 0.0000 172.3691 21 H 4.6667 7.4536 114.5638 53.9509 33.0579 175.3382 22 F 5.6451 8.7551 119.2485 55.6234 40.7567 175.3533 23 L 4.4433 8.8724 126.4568 56.1599 42.7938 176.5608 24 R 4.5689 9.2884 124.9616 55.1854 33.7464 173.7133 25 I 4.6797 7.8594 128.3386 59.3207 37.5568 175.5803 26 L 4.0074 9.1455 128.1667 53.4434 42.2576 176.9043 27 P 4.4409 0.0000 0.0000 65.2807 30.9484 176.6235 28 D 4.5908 8.0834 116.0360 53.2080 39.3402 176.6653 29 G 3.9554 8.3674 106.6002 46.9782 0.0000 173.4236 30 T 4.6736 7.7102 116.9299 61.6924 69.8877 173.9992 31 V 4.9517 7.9961 125.5258 61.5105 34.1642 174.8983 32 D 4.4551 8.8231 126.1807 53.3514 44.9043 174.3738 33 G 4.6047 8.3412 104.4424 45.7223 0.0000 172.1116 34 T 4.8902 8.7511 114.4199 60.8424 70.9120 174.6391 35 R 3.9645 8.6313 124.8928 56.6747 31.0499 176.2614 36 D 4.5000 7.8864 118.1677 53.8802 40.3368 176.3662 37 R 4.2868 8.6644 127.6397 58.7322 30.4061 177.1073 38 S 4.5966 8.0395 112.4682 58.4724 63.2486 173.5504 39 D 4.5310 8.0033 122.2302 54.3459 41.3500 176.6495 40 Q 4.3867 8.4969 124.7148 56.6989 28.4396 176.3553 41 H 4.8970 8.6306 111.7552 55.7092 31.6814 174.5316 42 I 4.3176 7.3909 111.4758 60.7995 38.1207 175.4775 43 Q 4.2854 7.8157 121.8754 55.6908 29.6389 174.6080 44 L 5.0772 9.1504 124.9444 52.8079 45.5751 175.7659 45 Q 4.7703 8.7082 124.2447 54.1779 30.8206 174.1598 46 L 4.6622 8.4988 126.7655 54.5257 42.9506 176.6122 47 S 4.6713 9.2667 117.9861 56.3362 65.1573 172.9883 48 A 4.6936 8.8164 130.0468 50.5757 18.2509 175.8986 49 E 4.5069 8.8330 123.1073 55.3165 30.0338 176.0467 50 S 4.9864 7.4982 113.8293 57.5458 65.2091 178.2002 51 V 3.7633 8.1896 121.2698 65.2330 31.5938 176.5996 52 G 4.0069 7.9989 105.7649 44.9567 0.0000 172.0862 53 E 5.0346 7.4228 120.0743 55.5066 32.3451 175.3162 54 V 4.7732 8.1743 112.8104 60.6860 36.9317 173.0820 55 Y 5.0588 9.0431 119.5598 56.3755 41.7925 175.1678 56 I 4.9545 8.7309 122.7967 59.5415 40.6490 174.4229 57 K 4.9807 8.4528 124.8340 54.7165 36.4393 175.4681 58 S 4.8075 8.9746 117.3403 58.3915 63.1541 175.1464 59 T 3.7738 8.3997 117.8087 64.9195 69.0078 175.5203 60 E 4.0160 8.3420 122.4381 58.2193 29.7103 177.3649 61 T 4.2862 8.1276 106.5458 60.4843 69.6241 176.0375 62 G 3.8178 7.9717 109.5816 45.9519 0.0000 174.0914 63 Q 4.2675 7.4496 119.9001 56.0727 30.1160 174.8225 64 Y 4.8278 9.2704 121.6718 56.3845 40.5953 174.7733 65 L 4.5679 9.3022 126.2066 55.2509 43.1459 174.6518 66 A 5.3063 9.0955 130.7108 49.7585 22.7378 174.0111 *68 D 5.5444 8.8717 113.2405 53.8849 40.6467 176.5733 69 T 4.1394 8.6994 108.8096 64.2244 68.4388 174.1291 70 D 4.5901 8.4881 119.9617 53.9554 41.6449 176.7207 71 G 3.3167 8.7042 107.2778 45.6261 0.0000 173.0077 72 L 4.4644 7.7381 122.0987 54.1572 42.7478 176.3562 73 L 4.5628 8.3742 126.2208 54.8109 42.7525 175.5323 74 Y 5.0882 9.1831 120.2570 55.7957 42.0657 174.1505 75 G 4.4189 8.9592 108.9527 45.1283 0.0000 173.4341 76 S 5.0005 9.5562 122.3166 57.4402 63.9511 174.8540 77 Q 4.0878 8.8953 122.1226 56.6256 29.3610 175.9556 78 T 4.6050 7.6056 115.0092 60.7036 70.7233 172.9118 79 P 3.9279 0.0000 0.0000 62.4512 29.6914 175.1397 80 N 5.0057 7.9244 125.4328 51.2984 39.8604 175.5925 81 E 3.9214 8.6098 114.4876 59.7809 29.9685 178.0798 82 E 4.1969 8.1433 116.7907 57.4344 29.6658 177.2840 83 C 4.7352 7.5104 115.4793 59.0530 28.9998 173.5995 84 L 4.1469 6.8070 119.8979 53.6607 43.1226 175.8845 85 F 5.2433 8.3582 120.1091 55.8262 43.8929 174.1319 86 L 4.8388 9.0201 123.6110 53.2803 42.2186 175.5849 87 E 4.2629 8.6097 126.0629 55.7858 30.3529 175.8800 88 R 4.7503 8.6712 124.4806 54.6616 35.2925 173.6823 89 L 5.7885 8.7233 120.3668 52.6037 43.8570 176.1209 90 E 4.6108 8.6305 120.6809 54.8806 32.4242 176.8061 91 E 3.8131 8.2173 117.6101 59.7117 29.6515 177.7446 92 N 4.7092 8.5804 113.0871 53.4910 38.3941 174.7350 93 H 4.0543 8.4907 114.2723 57.4572 26.3272 174.2651 94 Y 4.7860 8.0719 115.3229 56.6726 41.4290 174.3320 95 N 5.5736 9.6926 118.3808 52.0759 41.0909 174.6393 96 T 5.2992 8.9423 112.9970 60.1594 72.8972 172.3961 97 Y 4.8218 8.8149 121.0200 56.4363 40.5755 174.1209 98 I 4.4446 8.1260 125.5730 58.8064 40.6471 174.5830 99 S 4.8982 8.7119 124.2966 58.4694 62.7774 174.6813 100 K 3.9460 8.7014 130.0768 59.3278 32.4023 178.8650 101 K 3.7705 8.1069 118.8676 59.3841 32.3158 177.6885 102 H 4.7779 7.8690 114.1470 54.2751 29.4151 176.9276 103 A 3.9879 7.8659 124.5231 54.5010 18.4168 180.9146 104 E 3.9360 8.0098 113.2769 59.2531 29.7138 178.8180 105 K 3.9726 7.5075 117.0795 56.6337 32.4092 175.8536 106 N 4.1044 7.6211 116.1921 54.3156 37.3967 174.0883 107 W 5.0296 8.0041 117.5536 55.7324 30.8890 177.0343 108 F 4.9173 9.1679 124.0687 55.9195 41.2599 175.3541 109 V 4.1375 8.4353 120.5728 61.9540 31.9229 175.3485 110 G 4.5083 8.6089 113.5392 45.0285 0.0000 170.8743 111 L 5.2128 8.1809 120.8242 52.2352 44.1952 177.3048 112 K 4.0836 8.6837 123.2093 55.8435 32.7581 177.9926 113 K 3.7754 8.4621 121.8524 59.5824 32.0804 177.5013 114 N 4.4368 7.9304 113.3783 53.5655 37.5763 175.7154 115 G 3.6922 8.3093 109.1982 45.3702 0.0000 173.9916 116 S 4.6310 8.4104 116.7716 57.7511 63.8042 173.0641 117 C 4.7163 8.2733 117.0491 58.0710 30.6491 172.7643 118 K 4.3816 8.8481 123.5833 54.7989 32.8930 176.3645 119 R 3.8287 8.7621 126.5167 56.8651 30.7736 177.4266 120 G 3.6064 8.5578 113.9455 48.1576 0.0000 173.8875 121 P 3.9982 0.0000 0.0000 64.6629 30.9819 177.1020 122 R 4.2438 7.8735 116.8927 56.7827 30.6233 176.4432 123 T 4.9504 7.9203 107.8808 60.1133 70.7249 173.2822 124 H 4.9844 8.1809 120.3867 54.8214 32.8710 172.0493 125 Y 3.9383 8.3528 125.1202 58.9411 38.7395 176.3979 126 G 3.5711 8.3165 114.6991 45.3389 0.0000 173.8260 127 Q 4.1463 7.5357 118.5446 55.3259 29.6396 177.3412 128 K 3.8335 8.3353 118.7406 58.9933 32.6937 179.4411 129 A 3.9947 7.9525 121.7777 54.3037 18.2365 178.3051 130 I 4.6272 7.3473 106.1717 60.6431 38.1744 175.3967 131 L 4.3526 7.6331 123.1667 54.7223 42.1540 175.9168 132 F 5.2329 9.7189 123.3564 55.5939 42.9787 174.6769 133 L 5.3183 9.4227 121.3774 52.4490 44.8767 174.2752 134 P 5.1360 0.0000 0.0000 62.4200 31.5060 175.2733 135 L 4.5024 9.3167 127.4696 53.2910 43.1547 174.5634 136 P 4.6864 0.0000 0.0000 62.2141 31.6836 176.5625 137 V 3.6334 7.7027 125.0608 62.3991 32.2930 176.7224 138 S 4.1418 8.5861 118.1202 59.2358 62.5933 171.0205 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 10 K 8.31 4.26 0.00 1.74 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 11 P 0.00 4.37 0.00 2.18 1.97 0.00 3.59 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 2.11 2.17 0.00 12 K 10.11 5.05 0.00 1.61 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.59 7.81 13 L 9.26 5.03 0.00 1.58 1.29 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.62 4.93 0.00 1.69 1.77 0.37 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.37 4.89 0.00 3.61 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 16 C 8.98 4.02 0.00 2.12 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 17 S 7.84 3.80 0.00 3.94 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 18 N 7.31 4.47 0.00 2.55 2.54 0.00 0.00 7.14 7.98 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 19 G 8.28 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 20 G 7.09 3.51 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 0.00 0.00 0.00 21 H 7.45 4.67 0.00 2.99 3.22 0.00 5.78 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 22 F 8.76 5.65 0.00 3.13 2.91 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 23 L 8.87 4.44 0.00 2.02 1.71 1.02 0.92 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 24 R 9.29 4.57 0.00 1.95 2.03 0.00 3.35 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 25 I 7.86 4.68 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 1.26 0.77 0.94 0.00 0.00 26 L 9.15 4.01 0.00 1.85 1.53 0.99 0.84 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 27 P 0.00 4.44 0.00 2.17 2.23 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 28 D 8.08 4.59 0.00 2.79 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 29 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 30 T 7.71 4.67 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 1.23 0.00 0.00 31 V 8.00 4.95 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 0.91 0.00 0.00 1.01 0.00 0.00 32 D 8.82 4.46 0.00 2.90 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 33 G 8.34 4.60 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 0.00 0.00 0.00 34 T 8.75 4.89 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 1.41 0.00 0.00 35 R 8.63 3.96 0.00 1.74 1.86 0.00 2.91 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 36 D 7.89 4.50 0.00 2.80 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 37 R 8.66 4.29 0.00 2.17 2.07 0.00 3.44 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 38 S 8.04 4.60 0.00 4.06 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 39 D 8.00 4.53 0.00 2.98 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 40 Q 8.50 4.39 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 41 H 8.63 4.90 0.00 3.27 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.39 4.32 1.94 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 1.46 0.48 1.08 0.00 0.00 43 Q 7.82 4.29 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 44 L 9.15 5.08 0.00 1.50 1.50 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.71 4.77 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 46 L 8.50 4.66 0.00 1.66 1.70 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.27 4.67 0.00 3.97 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 48 A 8.82 4.69 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 49 E 8.83 4.51 0.00 2.08 1.83 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 2.28 2.50 0.00 50 S 7.50 4.99 0.00 4.01 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 51 V 8.19 3.76 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 0.77 0.00 0.00 0.92 0.00 0.00 52 G 8.00 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 53 E 7.42 5.03 0.00 1.88 1.69 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 2.17 2.21 0.00 54 V 8.17 4.77 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 0.92 0.00 0.00 1.30 0.00 0.00 55 Y 9.04 5.06 0.00 3.10 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 56 I 8.73 4.95 2.02 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 1.33 0.81 0.87 0.00 0.00 57 K 8.45 4.98 0.00 1.23 1.47 0.00 0.95 0.00 0.00 1.22 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.23 7.81 58 S 8.97 4.81 0.00 3.85 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 59 T 8.40 3.77 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 1.19 0.00 0.00 60 E 8.34 4.02 0.00 1.92 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 2.27 2.27 0.00 61 T 8.13 4.29 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 1.25 0.00 0.00 62 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.27 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 64 Y 9.27 4.83 0.00 2.89 2.91 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 65 L 9.30 4.57 0.00 1.80 1.88 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.10 5.31 0.30 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 *68 D 8.87 5.54 0.00 3.15 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 69 T 8.70 4.14 4.39 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 1.34 0.00 0.00 70 D 8.49 4.59 0.00 2.69 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 71 G 8.70 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 0.00 0.00 0.00 72 L 7.74 4.46 0.00 1.63 2.03 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.37 4.56 0.00 1.69 1.61 0.95 0.78 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 74 Y 9.18 5.09 0.00 2.92 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 75 G 8.96 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.56 5.00 0.00 4.43 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 77 Q 8.90 4.09 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 78 T 7.61 4.61 4.30 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 1.20 0.00 0.00 79 P 0.00 3.93 0.00 1.28 0.49 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 80 N 7.92 5.01 0.00 2.92 3.02 0.00 0.00 5.89 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 81 E 8.61 3.92 0.00 2.10 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 2.35 2.31 0.00 82 E 8.14 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 83 C 7.51 4.74 0.00 3.21 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 84 L 6.81 4.15 0.00 1.32 1.24 0.80 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.36 5.24 0.00 3.08 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 86 L 9.02 4.84 0.00 1.51 1.56 0.85 0.57 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 87 E 8.61 4.26 0.00 1.90 1.79 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 2.11 1.71 0.00 88 R 8.67 4.75 0.00 1.69 1.70 0.00 3.26 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 89 L 8.72 5.79 0.00 1.51 1.60 0.93 1.03 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 90 E 8.63 4.61 0.00 2.33 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 2.44 2.70 0.00 91 E 8.22 3.81 0.00 2.07 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 2.34 2.36 0.00 92 N 8.58 4.71 0.00 3.16 2.95 0.00 0.00 7.24 7.61 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 93 H 8.49 4.05 0.00 3.13 3.42 0.00 5.82 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.07 4.79 0.00 3.08 2.93 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 95 N 9.69 5.57 0.00 3.09 2.81 0.00 0.00 6.93 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 96 T 8.94 5.30 4.60 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 1.37 0.00 0.00 97 Y 8.81 4.82 0.00 2.63 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 98 I 8.13 4.44 0.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 0.79 0.00 0.00 99 S 8.71 4.90 0.00 4.38 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 0.00 100 K 8.70 3.95 0.00 1.74 1.68 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 8.11 3.77 0.00 1.60 1.58 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.83 1.23 7.81 102 H 7.87 4.78 0.00 2.74 2.06 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.87 3.99 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 0.00 104 E 8.01 3.94 0.00 2.06 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 2.25 2.19 0.00 105 K 7.51 3.97 0.00 1.09 1.62 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 0.96 7.81 106 N 7.62 4.10 0.00 2.98 3.09 0.00 0.00 7.11 7.99 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 0.00 107 W 8.00 5.03 0.00 3.35 3.10 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 0.00 108 F 9.17 4.92 0.00 2.97 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 0.00 109 V 8.44 4.14 1.92 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 0.45 0.00 0.00 0.21 0.00 0.00 110 G 8.61 4.51 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 0.00 0.00 0.00 111 L 8.18 5.21 0.00 1.32 1.41 1.01 0.75 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 0.00 112 K 8.68 4.08 0.00 1.75 1.67 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.32 7.81 113 K 8.46 3.78 0.00 1.64 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.33 7.81 114 N 7.93 4.44 0.00 2.83 2.89 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.31 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 0.00 116 S 8.41 4.63 0.00 3.84 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 0.00 117 C 8.27 4.72 0.00 2.98 2.93 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 0.00 118 K 8.85 4.38 0.00 1.69 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 119 R 8.76 3.83 0.00 1.66 1.61 0.00 3.15 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 120 G 8.56 3.61 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 0.00 0.00 0.00 121 P 0.00 4.00 0.00 2.05 1.99 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 122 R 7.87 4.24 0.00 1.88 1.97 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 123 T 7.92 4.95 4.30 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 1.27 0.00 0.00 124 H 8.18 4.98 0.00 3.23 3.15 0.00 5.68 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 0.00 125 Y 8.35 3.94 0.00 3.04 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 0.00 126 G 8.32 3.57 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 0.00 0.00 0.00 127 Q 7.54 4.15 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 128 K 8.34 3.83 0.00 1.68 1.67 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.31 7.81 129 A 7.95 3.99 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 0.00 130 I 7.35 4.63 2.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.83 0.00 0.00 131 L 7.63 4.35 0.00 1.10 1.00 0.62 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.72 5.23 0.00 3.34 3.10 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 0.00 133 L 9.42 5.32 0.00 1.96 1.77 1.16 1.00 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 0.00 134 P 0.00 5.14 0.00 2.18 2.28 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 135 L 9.32 4.50 0.00 1.84 1.63 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.69 0.00 2.07 2.10 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 137 V 7.70 3.63 2.03 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 0.69 0.00 0.00 0.93 0.00 0.00 138 S 8.59 4.14 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.