NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5912 8.4201 119.2053 53.3192 40.0790 175.6767 0 A 4.0293 8.4448 131.6064 53.8948 16.8662 175.2492 2 K 3.8381 8.8282 117.3155 58.0730 32.3953 173.8506 3 T 4.6242 7.4744 115.4327 61.7267 72.4833 172.2971 4 L 4.9300 9.1662 129.9248 53.3802 44.4282 174.8334 5 F 5.3427 9.3256 129.9177 56.9566 40.8390 174.0139 6 L 5.1821 8.8709 128.0355 53.0625 43.5007 176.0577 7 Q 4.6432 8.8637 121.1967 54.9519 33.0511 172.9210 8 Y 4.7724 8.3005 120.3661 55.2777 40.3027 174.2742 9 P 4.2456 0.0000 0.0000 65.4718 31.6387 178.0067 10 A 4.0053 6.8452 119.4584 54.2322 18.7274 177.8270 11 C 4.4064 8.1379 116.9728 59.5616 32.9240 174.3405 12 S 4.8492 8.5208 122.2896 60.9552 62.2249 176.5997 13 T 3.9916 7.8411 118.2352 66.4063 68.2694 176.4000 14 C 4.1369 8.0189 118.2244 62.9748 28.4152 175.6082 15 Q 3.9843 7.7388 119.4372 59.1704 28.2814 179.5485 16 K 3.7287 7.5489 117.8244 59.4549 32.0611 179.1441 17 A 2.0000 7.1534 120.5254 54.2059 18.1514 179.5623 18 K 3.2632 8.1960 118.4036 59.3787 32.2227 178.7933 19 K 3.7618 8.2278 119.1884 59.4269 31.9406 178.7975 20 W 4.0136 8.1731 128.4062 60.5737 30.5163 177.8365 21 L 4.0774 8.3972 119.2014 57.9019 40.9343 179.7739 22 I 3.6941 7.6903 119.5848 64.3112 36.9302 177.6872 23 E 3.8041 7.8991 119.0448 59.4632 29.3727 177.9394 24 N 4.3679 7.5102 112.8818 52.3321 38.5380 174.8607 25 N 4.1293 7.7684 116.3474 54.1988 36.5956 174.3775 26 I 4.1519 7.7746 120.2850 60.0630 36.8675 176.0200 27 E 4.1593 8.6279 125.9821 56.8256 29.9001 175.8349 28 Y 5.0893 7.5617 118.7131 57.6225 41.2241 173.3353 29 T 4.5222 8.8749 117.0658 61.5869 70.6152 174.2214 30 N 5.3043 8.8610 125.3690 54.1970 40.2957 174.0706 31 R 4.5030 8.4676 120.9787 55.4825 34.5881 173.6182 32 L 4.7652 8.5202 126.8352 53.8025 42.2615 177.1915 33 I 3.6086 8.8112 126.5932 63.9528 38.5706 178.3734 34 V 3.7504 8.0272 120.5480 65.4462 31.9883 176.6364 35 D 4.5383 8.3222 117.7485 56.7529 40.8019 176.2348 36 D 4.8475 8.1033 119.2744 51.8992 40.8930 174.4295 37 N 5.3600 8.0216 119.3079 50.3013 38.8331 174.2944 38 P 4.4724 0.0000 0.0000 63.4340 32.1369 176.1295 39 T 4.4777 8.2128 112.6950 60.0366 71.9194 176.1063 40 V 3.4378 8.1229 120.5938 66.5617 31.0006 177.9798 41 E 3.8323 7.9275 117.4030 59.1682 29.2443 179.1264 42 E 3.1679 7.6566 118.4126 59.1466 29.4256 179.1487 43 L 3.7240 7.5250 119.1282 57.9141 41.4294 179.9008 44 K 3.9208 7.8787 116.9397 58.5703 32.1410 178.6497 45 A 4.3028 7.1891 119.8152 54.2669 19.1736 179.5279 46 W 4.5837 8.5312 117.8568 59.7554 28.8759 179.0483 47 I 3.4597 7.6236 119.1746 63.9379 36.9989 176.2581 48 P 4.4132 0.0000 0.0000 65.6274 30.9314 178.4142 49 L 4.1102 7.5736 117.1043 58.0327 42.0588 178.9048 50 S 4.6941 7.5334 114.8692 58.7328 63.1359 175.5337 51 G 3.9580 7.8291 108.6126 45.6180 0.0000 173.0859 52 L 4.8120 7.8731 118.9939 51.8623 44.1037 174.8010 53 P 4.4864 0.0000 0.0000 62.7558 32.1379 178.0781 54 V 3.7655 8.5055 120.4717 65.8426 31.4827 178.5197 55 K 4.3987 8.3465 118.3059 59.8947 32.0725 178.5917 56 K 4.3334 8.2070 118.0331 58.0376 32.2602 177.3555 57 F 4.3853 8.5680 118.0990 57.2477 39.1716 174.9052 58 F 4.9609 8.1538 120.7340 56.1828 40.0323 176.6342 59 N 4.5700 8.7447 124.8054 53.6639 36.5742 174.9556 60 T 3.2401 7.7996 109.2230 61.5224 69.2205 176.1211 61 S 4.5102 7.7787 117.2212 58.9215 64.2682 175.2546 62 G 3.8206 7.7426 108.1515 44.5822 0.0000 174.7196 63 V 3.8527 8.2094 120.4033 65.3274 31.5607 178.7780 64 V 3.6110 7.7464 117.8681 65.8856 31.6436 176.8323 65 Y 4.0303 8.2532 118.9941 60.8375 38.4804 178.0101 66 K 4.0037 7.7281 118.9377 59.7980 32.2528 178.2575 67 E 4.2584 8.1672 116.0741 57.5820 29.6599 177.9073 68 L 4.3879 7.4452 118.1189 53.0690 42.6787 176.0792 69 K 3.7717 7.9501 118.1813 57.2079 30.4756 177.3092 70 L 3.7582 7.3834 121.6549 57.7573 41.2169 179.5903 71 S 4.2581 7.6477 120.5832 64.2206 62.2228 181.0037 72 S 4.6594 7.7269 119.8098 62.0367 62.7612 177.8499 73 K 4.3095 7.6599 120.3281 58.5931 31.8951 178.6327 74 L 3.9261 7.5022 119.0389 57.2475 41.2528 176.3855 75 P 4.1772 0.0000 0.0000 65.6493 31.9024 175.9554 76 T 3.6516 7.5406 111.2658 62.2275 69.6231 173.5887 *78 T 4.1286 7.5394 111.2146 61.9779 71.6326 173.3546 79 E 3.8865 8.5719 121.4607 59.7431 29.4579 178.4221 80 E 3.9032 8.2932 117.8135 59.8278 29.4504 179.3253 81 E 3.9541 8.1125 117.8195 59.5905 29.5919 179.3074 82 Q 4.1783 8.6700 118.3091 59.2934 28.8147 179.4224 83 I 3.6622 8.3603 120.6852 64.2660 36.9432 178.1102 84 A 3.9647 7.9915 120.6704 55.1716 18.3644 179.2262 85 L 4.0614 8.2638 118.6840 58.4386 41.9127 178.8230 86 L 3.8310 8.0823 118.7257 58.0993 41.4283 179.2401 87 A 4.6113 8.0370 119.3591 53.4367 18.4234 178.9467 88 T 4.2514 8.0205 108.2480 62.6578 69.4719 174.7168 89 N 4.7020 7.5876 119.3935 52.3463 42.0053 175.2448 90 G 3.7304 8.8131 115.4683 48.1774 0.0000 175.3769 91 K 3.9434 8.2282 119.0781 59.1929 32.3133 178.3714 92 L 4.2593 8.0184 118.4573 56.5686 41.8545 176.5031 93 V 4.4127 7.2971 119.5666 61.2822 32.1952 175.7390 94 K 4.0475 8.7662 129.8271 57.4788 32.5090 175.7983 95 R 4.8691 8.2367 121.2786 53.9428 32.8584 172.7711 96 P 4.7674 0.0000 0.0000 62.6655 33.6209 174.4874 97 L 5.2643 8.7529 119.4991 52.8885 45.3578 175.9598 98 V 4.7456 8.4152 121.7534 60.9711 34.7855 174.2476 99 V 4.3844 8.7033 127.7147 61.1537 33.9785 174.3805 100 T 4.7612 8.1068 117.0582 59.4364 71.6904 173.6117 101 E 3.9968 8.7606 121.6374 59.0975 29.6132 177.7524 102 R 4.3783 7.5374 115.6170 57.2876 31.2648 176.0938 103 F 4.9898 7.0906 110.7330 55.1855 41.0716 172.9337 104 V 4.7219 8.4139 120.8285 61.1866 34.4513 173.9179 105 L 4.7259 8.7209 127.8426 53.0109 44.1690 175.4771 106 V 4.3075 8.1475 122.4008 61.9422 33.6687 176.6826 107 G 3.8446 9.2854 118.4798 44.8800 0.0000 172.4214 108 F 4.1451 8.4493 120.7833 56.2342 39.0323 175.0432 109 K 3.8686 7.3737 127.7080 52.7990 32.6915 175.0425 110 P 3.3727 0.0000 0.0000 66.0075 30.9268 178.6041 111 E 3.9579 7.8146 115.4585 61.1094 29.9745 180.6976 112 E 4.3917 8.5815 118.9962 58.2916 30.0055 178.6828 113 W 4.0179 7.9118 117.8469 58.6291 28.9932 177.8477 114 E 4.4189 7.9294 118.1081 58.9814 28.6066 179.0548 115 K 3.8843 7.6330 117.5686 58.8872 32.0167 178.4325 116 L 4.4873 7.8186 117.3744 56.0509 41.7454 177.0740 117 K 4.2648 8.1404 123.7357 56.4987 32.1949 176.2974 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 N 8.42 4.59 0.00 2.70 2.80 0.00 0.00 6.98 7.08 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 A 8.44 4.03 1.28 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 0.00 0.00 0.00 2 K 8.83 3.84 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 T 7.47 4.62 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 1.19 0.00 0.00 4 L 9.17 4.93 0.00 1.68 1.37 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.33 5.34 0.00 2.95 3.30 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 6 L 8.87 5.18 0.00 1.49 1.49 0.57 0.96 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 7 Q 8.86 4.64 0.00 1.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.59 2.09 0.00 8 Y 8.30 4.77 0.00 3.04 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 9 P 0.00 4.25 0.00 1.86 2.01 0.00 3.04 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 10 A 6.85 4.01 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 11 C 8.14 4.41 0.00 3.26 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 12 S 8.52 4.85 0.00 3.94 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 13 T 7.84 3.99 4.26 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 1.27 0.00 0.00 14 C 8.02 4.14 0.00 3.17 3.23 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 15 Q 7.74 3.98 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 16 K 7.55 3.73 0.00 1.85 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 17 A 7.15 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.20 3.26 0.00 1.88 2.06 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.57 7.81 19 K 8.23 3.76 0.00 1.90 1.83 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.55 7.81 20 W 8.17 4.01 0.00 3.30 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 21 L 8.40 4.08 0.00 1.59 1.59 -0.59 0.89 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 22 I 7.69 3.69 1.85 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 1.51 0.77 0.90 0.00 0.00 23 E 7.90 3.80 0.00 1.92 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 2.15 2.29 0.00 24 N 7.51 4.37 0.00 1.67 2.25 0.00 0.00 7.13 8.85 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 25 N 7.77 4.13 0.00 2.79 2.88 0.00 0.00 6.90 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 26 I 7.77 4.15 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 1.02 0.00 0.00 27 E 8.63 4.16 0.00 1.97 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 2.30 2.31 0.00 28 Y 7.56 5.09 0.00 3.13 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 29 T 8.87 4.52 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 1.24 0.00 0.00 30 N 8.86 5.30 0.00 2.88 2.82 0.00 0.00 6.96 7.65 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 31 R 8.47 4.50 0.00 1.99 1.73 0.00 3.23 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 L 8.52 4.77 0.00 1.68 1.65 0.94 0.69 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 33 I 8.81 3.61 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.96 0.00 0.00 34 V 8.03 3.75 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 0.89 0.00 0.00 0.85 0.00 0.00 35 D 8.32 4.54 0.00 2.73 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 36 D 8.10 4.85 0.00 2.58 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 37 N 8.02 5.36 0.00 2.89 2.94 0.00 0.00 6.41 7.75 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 38 P 0.00 4.47 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 39 T 8.21 4.48 4.26 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 1.15 0.00 0.00 40 V 8.12 3.44 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 1.06 0.00 0.00 0.88 0.00 0.00 41 E 7.93 3.83 0.00 1.95 1.86 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 2.33 2.38 0.00 42 E 7.66 3.17 0.00 1.42 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 1.74 1.96 0.00 43 L 7.53 3.72 0.00 1.53 1.53 0.83 1.09 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 44 K 7.88 3.92 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 45 A 7.19 4.30 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 46 W 8.53 4.58 0.00 3.39 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 47 I 7.62 3.46 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.77 0.00 0.00 48 P 0.00 4.41 0.00 2.11 2.12 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 49 L 7.57 4.11 0.00 1.96 1.99 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.53 4.69 0.00 4.30 4.53 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 51 G 7.83 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 52 L 7.87 4.81 0.00 1.94 1.76 0.89 0.97 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 53 P 0.00 4.49 0.00 2.28 2.05 0.00 3.69 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 2.17 2.14 0.00 54 V 8.51 3.77 2.35 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 1.19 0.00 0.00 0.92 0.00 0.00 55 K 8.35 4.40 0.00 2.13 2.15 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.64 7.81 56 K 8.21 4.33 0.00 2.07 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.58 1.69 7.81 57 F 8.57 4.39 0.00 3.23 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 58 F 8.15 4.96 0.00 3.35 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 59 N 8.74 4.57 0.00 2.89 2.85 0.00 0.00 6.70 6.83 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 60 T 7.80 3.24 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 0.60 0.00 0.00 61 S 7.78 4.51 0.00 3.84 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 62 G 7.74 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 V 8.21 3.85 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 1.14 0.00 0.00 0.94 0.00 0.00 64 V 7.75 3.61 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 1.02 0.00 0.00 0.94 0.00 0.00 65 Y 8.25 4.03 0.00 3.28 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 66 K 7.73 4.00 0.00 2.25 2.03 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.55 7.81 67 E 8.17 4.26 0.00 2.01 1.98 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 2.35 2.35 0.00 68 L 7.45 4.39 0.00 1.43 1.59 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.95 3.77 0.00 1.87 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.34 7.81 70 L 7.38 3.76 0.00 0.27 0.89 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.65 4.26 0.00 3.70 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 72 S 7.73 4.66 0.00 3.70 3.79 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 73 K 7.66 4.31 0.00 1.71 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 74 L 7.50 3.93 0.00 1.53 1.60 0.65 0.15 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 75 P 0.00 4.18 0.00 2.01 2.05 0.00 3.86 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 2.01 2.08 0.00 76 T 7.54 3.65 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 1.19 0.00 0.00 *78 T 7.54 4.13 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 79 E 8.57 3.89 0.00 2.06 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 2.37 2.42 0.00 80 E 8.29 3.90 0.00 2.01 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 2.40 2.37 0.00 81 E 8.11 3.95 0.00 2.17 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 2.33 2.35 0.00 82 Q 8.67 4.18 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 83 I 8.36 3.66 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.82 0.00 0.00 84 A 7.99 3.96 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 85 L 8.26 4.06 0.00 1.92 2.04 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.08 3.83 0.00 1.90 1.61 0.71 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.04 4.61 1.28 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 0.00 0.00 0.00 88 T 8.02 4.25 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 1.26 0.00 0.00 89 N 7.59 4.70 0.00 2.76 2.69 0.00 0.00 6.92 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 90 G 8.81 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 0.00 0.00 0.00 91 K 8.23 3.94 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.42 7.81 92 L 8.02 4.26 0.00 2.03 1.77 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.30 4.41 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 0.85 0.00 0.00 0.92 0.00 0.00 94 K 8.77 4.05 0.00 1.73 1.58 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.41 7.81 95 R 8.24 4.87 0.00 1.78 1.82 0.00 3.16 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 96 P 0.00 4.77 0.00 2.42 2.23 0.00 3.75 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 2.47 2.16 0.00 97 L 8.75 5.26 0.00 1.44 1.40 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.42 4.75 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 0.77 0.00 0.00 0.33 0.00 0.00 99 V 8.70 4.38 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.56 0.00 0.00 100 T 8.11 4.76 3.83 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 0.82 0.00 0.00 101 E 8.76 4.00 0.00 1.87 1.96 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 2.28 2.33 0.00 102 R 7.54 4.38 0.00 1.86 2.19 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 103 F 7.09 4.99 0.00 3.24 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 0.00 104 V 8.41 4.72 2.31 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 1.06 0.00 0.00 0.89 0.00 0.00 105 L 8.72 4.73 0.00 1.14 1.37 -0.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.15 4.31 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 0.37 0.00 0.00 0.29 0.00 0.00 107 G 9.29 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 0.00 0.00 0.00 108 F 8.45 4.15 0.00 2.53 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 0.00 109 K 7.37 3.87 0.00 1.66 1.49 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.29 7.81 110 P 0.00 3.37 0.00 1.86 1.78 0.00 3.03 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.01 0.00 111 E 7.81 3.96 0.00 2.06 1.88 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 2.23 1.98 0.00 112 E 8.58 4.39 0.00 2.14 1.97 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 2.24 2.28 0.00 113 W 7.91 4.02 0.00 2.33 2.30 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 0.00 114 E 7.93 4.42 0.00 2.06 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 0.00 2.71 2.59 0.00 115 K 7.63 3.88 0.00 0.97 1.18 0.00 1.13 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.33 7.81 116 L 7.82 4.49 0.00 2.08 1.93 0.87 0.94 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 0.00 117 K 8.14 4.26 0.00 2.00 1.77 0.00 1.91 0.00 0.00 2.12 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.