NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4549 8.1749 117.3745 63.5643 70.0735 173.2241 2 S 4.5204 9.6939 120.7718 55.2516 66.4510 171.5574 3 I 5.3232 8.1639 118.2031 59.5570 41.1375 174.0556 4 M 4.8722 8.8592 119.3744 54.5048 34.9098 173.1856 5 A 5.1657 8.4446 120.8104 50.3107 22.3711 175.5219 6 V 4.5262 8.9706 122.5440 61.1445 34.6229 174.8156 7 T 4.7671 8.6870 118.2737 60.8679 70.2914 173.6758 8 F 4.9748 8.6425 118.4847 54.8564 41.4096 174.8124 9 K 3.7507 9.1481 120.8196 59.7425 31.5593 176.8367 10 D 4.7031 7.6519 114.3670 53.4815 42.9113 177.5785 11 G 4.4502 5.3800 110.5521 45.4993 0.0000 175.8329 12 V 5.0500 7.9527 119.7441 60.2642 33.8727 172.8305 13 I 4.7282 8.9730 121.8837 59.6165 40.9696 174.2656 14 L 5.1690 8.6159 125.5102 53.0292 43.9882 176.0190 15 G 4.3631 9.0980 109.2867 44.9173 0.0000 171.0809 16 A 5.1744 8.1850 120.6352 50.9043 22.1740 176.3327 17 D 4.7603 8.4781 120.2083 52.3915 41.9224 176.5809 18 S 4.9091 8.3483 111.8907 57.1060 64.8286 172.7291 19 R 5.0731 8.5929 121.1405 55.5583 31.5751 175.5263 20 T 4.7781 8.8899 116.3090 60.1064 71.5419 172.9913 21 T 5.1214 8.6994 115.6442 59.9290 72.3064 174.1252 22 T 4.4597 8.7401 112.9679 60.4071 70.0534 174.9829 23 G 4.0127 8.2400 121.4685 47.1435 0.0000 173.1302 24 A 4.4457 8.7343 127.4234 51.8402 19.5381 176.4655 25 Y 4.4155 7.6968 118.9403 56.3501 39.6675 174.7701 26 I 4.1422 7.3968 127.9716 59.8253 36.4638 175.3621 27 A 4.1350 8.2933 129.4807 54.3341 18.7652 177.5097 28 N 4.9060 8.2333 114.0324 52.0472 41.7742 174.5860 29 R 4.5683 8.6446 120.2810 56.1978 30.6370 176.1800 30 V 4.5814 7.7552 112.5097 61.3734 31.9813 176.3257 31 T 4.0208 8.4275 117.1403 63.8343 69.9051 173.9393 32 D 4.9596 8.6393 124.6343 52.8045 42.1899 175.5290 33 K 4.3686 8.6448 124.2883 56.5536 33.5977 176.3492 34 L 4.6972 8.1975 121.5895 54.0028 42.0902 175.8461 35 T 4.5364 8.9209 121.6239 61.6302 71.1852 173.8898 36 R 3.4100 7.8306 125.9572 54.9415 30.2452 176.2148 37 V 4.1167 7.9763 119.2552 61.9848 33.2012 174.7250 38 H 4.6045 7.5580 117.6823 55.0242 32.6644 173.5959 39 D 4.6154 8.4651 121.6741 57.3392 40.5993 179.4578 40 K 5.0344 8.1218 117.3302 56.1481 33.8483 175.9398 41 I 5.0857 8.3271 121.1591 59.8721 40.9164 174.9639 42 W 5.3082 9.6224 127.0349 54.9171 33.3821 174.1491 43 C 5.2965 9.5237 114.6639 57.3681 33.1780 172.5893 44 C 5.1882 9.0815 118.0568 58.2313 30.2727 173.0024 45 R 4.9406 8.4723 123.2392 54.6032 31.3339 176.0236 46 S 4.5410 8.9590 117.4478 57.7875 66.7433 173.3496 47 G 4.0152 8.7941 105.6037 44.0420 0.0000 172.6833 48 S 4.1061 9.2353 115.8933 58.2248 63.0557 176.0247 49 A 3.9901 8.9087 129.6801 55.1834 18.2303 179.1004 50 A 3.9488 8.0172 118.7543 55.5995 18.3968 179.2691 51 D 4.2936 8.1951 117.3887 57.7908 40.9799 179.0335 52 T 3.9268 8.5368 110.4217 65.0330 68.6123 176.2291 53 Q 3.9657 8.4635 120.8428 58.7753 28.8968 178.7403 54 A 4.0617 8.0316 121.6310 55.1180 18.2918 179.7922 55 I 3.6305 8.1129 118.1817 64.4807 37.2025 178.2684 56 A 4.0998 8.6604 121.8252 55.6262 18.1105 179.2044 57 D 4.3203 8.5189 117.5627 57.8465 40.8238 179.4125 58 I 3.8448 7.5934 119.6186 64.0234 37.1539 178.5240 59 V 3.3853 7.7923 119.2990 66.0114 31.2621 177.5810 60 Q 4.0916 8.1805 119.5011 59.5047 28.7618 178.0017 61 Y 4.0123 7.6934 120.2104 61.1948 38.9225 177.7126 62 H 3.7991 8.5514 117.4133 58.8912 28.6924 177.8094 63 L 4.0513 8.4081 121.0854 57.4085 41.4515 179.0257 64 E 3.9160 8.2421 119.5496 59.1262 29.6221 178.7034 65 L 3.7947 7.6842 120.4595 58.0593 42.0301 178.0511 66 Y 3.9838 7.9813 119.5513 61.0393 38.4392 178.4143 67 T 4.7273 7.9979 116.8083 66.6058 68.7377 176.1948 68 S 4.1460 7.5686 115.4511 61.5560 62.8792 176.1924 69 Q 4.0658 7.2509 118.0134 56.5427 29.4491 176.1505 70 Y 4.5070 7.5878 115.3411 57.7209 39.4042 175.6293 *72 G 4.1359 7.4972 108.5785 45.6581 0.0000 171.9613 73 T 4.2248 8.5495 116.4831 63.1375 68.9042 172.3945 74 P 4.3489 0.0000 0.0000 61.9197 32.5562 176.6077 75 S 4.4681 8.0282 115.5167 58.0146 65.5993 175.5011 76 T 3.8942 8.1927 118.2596 66.6023 68.1716 176.5511 77 E 3.9315 8.1316 120.8401 59.6463 29.6327 178.9496 78 T 3.7718 7.8410 115.4815 66.4018 68.4881 176.5098 79 A 3.9269 7.7480 122.2478 55.2461 18.4196 179.5941 80 A 4.1662 8.2216 119.2214 55.2649 18.3099 179.8547 81 S 4.0474 7.9915 111.9230 61.5647 62.5153 176.5971 82 V 3.5625 7.9222 121.0031 65.7710 31.1620 178.0656 83 F 4.0111 8.3082 117.5993 60.4071 38.7917 177.4027 84 K 3.9706 8.5787 119.6501 59.5179 31.9911 178.0691 85 E 3.9878 8.5573 119.8746 59.4632 29.3822 178.8772 86 L 4.0156 7.8630 118.5343 58.2494 41.5454 179.4653 87 C 4.2317 8.3978 115.5638 62.5917 28.2612 175.3973 88 Y 4.2583 8.5329 121.6751 60.6542 38.4262 177.1274 89 E 3.9825 8.2627 118.5144 58.2153 29.4262 176.8115 90 N 5.0290 7.7342 116.3351 52.3860 39.5369 176.4450 91 K 3.7113 7.7435 120.9242 60.2055 32.7605 177.8000 92 D 4.3173 7.8741 118.0728 56.6388 41.0360 177.2858 *94 N 5.0943 7.8956 114.4652 52.5636 40.0681 173.6967 95 L 5.1788 7.4532 116.8815 53.5828 45.5856 176.8958 96 T 4.7777 8.7824 116.3484 61.5779 69.1120 171.5096 97 A 5.0417 8.1613 123.1038 49.7991 22.7783 176.0230 98 G 4.0540 9.4664 110.1829 43.7090 0.0000 171.6925 99 I 4.9811 8.2965 126.8382 58.9860 40.0618 175.3424 100 I 4.3492 8.4060 126.7176 59.5387 39.5181 174.5714 101 V 4.6634 8.3337 127.0172 61.2086 32.9222 174.6859 102 A 4.8400 9.1359 129.3669 50.2904 22.1657 174.8985 103 G 4.5330 8.6903 107.3923 45.1875 0.0000 171.2166 104 Y 4.6823 8.8403 122.5894 55.4100 40.7084 175.2601 105 D 4.2081 7.6212 124.7991 54.2002 41.6174 175.0779 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 T 8.17 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 1.21 0.00 0.00 2 S 9.69 4.52 0.00 3.70 3.72 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 3 I 8.16 5.32 1.88 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 1.40 0.93 0.92 0.00 0.00 4 M 8.86 4.87 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 5 A 8.44 5.17 1.21 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 0.00 0.00 0.00 6 V 8.97 4.53 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 1.13 0.00 0.00 0.94 0.00 0.00 7 T 8.69 4.77 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 1.23 0.00 0.00 8 F 8.64 4.97 0.00 3.23 3.16 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 9 K 9.15 3.75 0.00 1.83 2.13 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 10 D 7.65 4.70 0.00 2.67 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 11 G 5.38 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.95 5.05 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 0.76 0.00 0.00 1.03 0.00 0.00 13 I 8.97 4.73 1.87 0.00 0.00 0.52 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 1.05 0.86 0.00 0.00 14 L 8.62 5.17 0.00 1.45 1.58 0.92 0.97 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 15 G 9.10 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 0.00 0.00 0.00 0.00 16 A 8.18 5.17 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.48 4.76 0.00 2.71 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 18 S 8.35 4.91 0.00 3.96 4.02 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 19 R 8.59 5.07 0.00 1.80 2.02 0.00 3.18 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 1.53 1.50 0.00 20 T 8.89 4.78 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 1.22 0.00 0.00 21 T 8.70 5.12 4.45 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 0.00 0.00 0.00 1.17 0.00 0.00 22 T 8.74 4.46 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 1.28 0.00 0.00 23 G 8.24 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 24 A 8.73 4.45 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 25 Y 7.70 4.42 0.00 2.97 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 26 I 7.40 4.14 1.56 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 1.24 0.53 0.81 0.00 0.00 27 A 8.29 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.23 4.91 0.00 2.70 2.59 0.00 0.00 6.81 7.45 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 29 R 8.64 4.57 0.00 1.89 1.93 0.00 2.99 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 30 V 7.76 4.58 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.43 4.02 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 1.23 0.00 0.00 32 D 8.64 4.96 0.00 2.70 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 K 8.64 4.37 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.20 4.70 0.00 1.90 1.91 0.93 0.89 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 35 T 8.92 4.54 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 1.18 0.00 0.00 36 R 7.83 3.41 0.00 0.67 1.12 0.00 3.13 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 37 V 7.98 4.12 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 0.91 0.00 0.00 1.08 0.00 0.00 38 H 7.56 4.60 0.00 3.15 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.47 4.62 0.00 2.70 2.81 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 0.00 0.00 0.00 0.00 40 K 8.12 5.03 0.00 1.85 1.97 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.57 7.81 41 I 8.33 5.09 2.00 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 1.32 0.85 1.04 0.00 0.00 42 W 9.62 5.31 0.00 3.23 3.28 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 43 C 9.52 5.30 0.00 2.71 2.82 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 44 C 9.08 5.19 0.00 2.83 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 45 R 8.47 4.94 0.00 1.74 1.87 0.00 3.15 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 46 S 8.96 4.54 0.00 3.87 3.89 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 47 G 8.79 4.02 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 0.00 0.00 0.00 48 S 9.24 4.11 0.00 3.83 3.89 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 49 A 8.91 3.99 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 50 A 8.02 3.95 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 51 D 8.20 4.29 0.00 2.90 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 52 T 8.54 3.93 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 1.29 0.00 0.00 53 Q 8.46 3.97 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 8.03 4.06 1.39 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 0.00 0.00 55 I 8.11 3.63 2.19 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 0.80 1.10 0.00 0.00 56 A 8.66 4.10 1.51 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 57 D 8.52 4.32 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.84 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 1.04 0.00 0.00 59 V 7.79 3.39 1.63 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 0.45 0.00 0.00 -0.23 0.00 0.00 60 Q 8.18 4.09 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 61 Y 7.69 4.01 0.00 3.03 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 62 H 8.55 3.80 0.00 3.37 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.41 4.05 0.00 1.60 1.61 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.24 3.92 0.00 2.02 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 2.24 2.29 0.00 65 L 7.68 3.79 0.00 1.34 1.35 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.98 3.98 0.00 3.32 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 67 T 8.00 4.73 4.47 0.00 0.00 0.00 0.00 0.00 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 68 S 7.57 4.15 0.00 3.88 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 69 Q 7.25 4.07 0.00 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 70 Y 7.59 4.51 0.00 2.25 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 *72 G 7.50 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.55 4.22 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 1.28 0.00 0.00 74 P 0.00 4.35 0.00 1.72 1.20 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 75 S 8.03 4.47 0.00 4.03 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 76 T 8.19 3.89 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 1.26 0.00 0.00 77 E 8.13 3.93 0.00 2.00 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 0.00 2.35 2.39 0.00 78 T 7.84 3.77 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 0.87 0.00 0.00 79 A 7.75 3.93 1.39 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 0.00 0.00 80 A 8.22 4.17 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 81 S 7.99 4.05 0.00 4.00 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 82 V 7.92 3.56 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 0.78 0.00 0.00 0.87 0.00 0.00 83 F 8.31 4.01 0.00 3.32 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 84 K 8.58 3.97 0.00 1.80 2.11 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.57 7.81 85 E 8.56 3.99 0.00 2.31 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 2.32 2.45 0.00 86 L 7.86 4.02 0.00 1.99 1.74 0.85 0.98 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 C 8.40 4.23 0.00 3.03 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 88 Y 8.53 4.26 0.00 2.96 3.08 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 89 E 8.26 3.98 0.00 2.38 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 2.38 2.43 0.00 90 N 7.73 5.03 0.00 2.89 2.74 0.00 0.00 6.57 7.57 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 91 K 7.74 3.71 0.00 1.84 2.05 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.38 1.31 7.81 92 D 7.87 4.32 0.00 2.73 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 *94 N 7.90 5.09 0.00 2.73 2.88 0.00 0.00 7.06 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 95 L 7.45 5.18 0.00 1.56 1.54 0.99 0.75 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 96 T 8.78 4.78 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 1.22 0.00 0.00 97 A 8.16 5.04 1.22 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 0.00 0.00 98 G 9.47 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 99 I 8.30 4.98 1.67 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.17 0.00 0.00 100 I 8.41 4.35 1.84 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 1.08 0.70 0.89 0.00 0.00 101 V 8.33 4.66 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 0.84 0.00 0.00 0.63 0.00 0.00 102 A 9.14 4.84 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 0.00 103 G 8.69 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 0.00 0.00 0.00 104 Y 8.84 4.68 0.00 2.98 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 0.00 105 D 7.62 4.21 0.00 2.45 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.