NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3994 8.3049 120.3428 55.4938 32.5558 174.3255 1A I 4.4205 8.0955 126.9517 59.0527 39.7473 173.8564 2 Q 5.0063 9.2376 122.9500 54.3229 33.7398 174.5233 3 R 4.7885 9.1214 121.0957 54.7724 34.0861 175.0202 4 T 4.7767 8.9382 120.0195 61.6151 69.6306 172.8983 5 P 4.7666 0.0000 0.0000 63.1006 32.3717 175.4743 6 K 4.7203 9.0766 121.8001 54.9559 34.4313 175.3999 7 I 5.1024 8.3414 123.9738 59.8923 40.7133 175.3857 8 Q 4.6138 8.7259 122.6308 55.0674 33.0694 173.6434 9 V 4.9317 8.4747 124.9400 61.5512 33.2321 174.4805 10 Y 5.1574 8.3547 123.3124 56.6579 41.2814 173.1713 11 S 4.8366 9.1394 116.1762 57.2811 64.8380 174.0048 12 R 4.0961 9.1895 122.4536 59.3379 30.0530 176.4428 13 H 5.1598 8.1852 112.8095 52.7314 32.0793 171.7712 14 P 4.3571 0.0000 0.0000 62.4281 31.6567 176.3991 15 A 4.1287 8.9764 125.0766 53.1525 18.5048 177.1156 16 E 4.5001 8.3560 123.2112 53.5309 30.5485 172.6530 17 N 4.5106 8.2344 119.7332 53.8829 39.0168 175.5759 18 G 4.0196 8.9434 115.6479 46.0507 0.0000 174.5228 19 K 4.1393 8.5604 122.6498 53.3736 32.1098 180.7281 20 S 4.2738 8.3728 119.0774 58.3258 63.4021 173.2898 21 N 4.7391 8.5954 123.2459 53.1966 43.3539 172.8305 22 F 4.9852 9.2329 115.6549 56.3845 44.0349 173.3389 23 L 3.9646 8.8737 127.0972 53.6633 43.4413 174.9311 24 N 5.3777 8.5197 123.2571 51.4114 42.4022 172.6748 25 C 5.2933 9.5166 122.5784 55.1428 46.0926 172.0334 26 Y 5.3601 9.3811 129.4196 56.3686 40.2257 174.4626 27 V 4.9128 8.4082 121.1010 59.6891 34.4710 175.4174 28 S 5.1927 8.7710 118.5557 57.0663 67.2453 173.8185 29 G 4.7167 8.7595 106.0787 47.5997 0.0000 173.4646 30 F 5.7132 7.6862 112.9658 54.6971 41.2495 173.6991 31 H 5.2033 8.6385 118.3136 54.5330 33.2854 171.4780 32 P 4.9898 0.0000 0.0000 62.2802 32.4604 176.1815 33 S 4.1621 8.4464 112.1016 59.0823 62.9053 173.6340 34 D 4.6232 7.9094 122.2804 54.0008 40.9849 175.3000 35 I 4.8364 8.0582 123.3933 59.4476 41.6607 173.5033 36 E 4.6658 8.8895 126.8019 54.4837 32.2240 175.2236 37 V 4.6081 7.9411 123.2980 61.1031 34.3693 174.0853 38 D 4.9354 8.9199 127.0047 52.4258 44.9954 174.6396 39 L 4.8650 8.3641 121.5813 53.5961 43.8647 175.4519 40 L 5.2310 9.5678 123.9127 52.7748 45.5873 175.6610 41 K 4.1902 9.0362 123.9277 54.2380 34.1656 175.5441 42 N 4.3253 9.7048 129.0701 54.2843 36.1558 176.2055 43 G 3.9956 7.8752 103.7677 45.8226 0.0000 172.3046 44 E 4.4156 7.6767 121.0386 54.4863 30.9153 174.8570 45 R 4.7082 8.3289 121.9460 55.5140 30.3124 176.2364 46 I 3.7882 8.3498 126.0810 61.8152 37.5998 176.3296 47 E 4.3152 8.8150 126.5576 54.6899 31.5432 175.5540 48 K 3.7345 8.3533 116.5759 57.6912 29.5877 175.9187 49 V 4.0568 7.6153 116.3825 62.4998 33.1817 174.4163 50 E 4.7811 8.8184 122.6510 54.8258 33.8722 174.3424 51 H 5.9086 8.2161 115.4314 53.9181 32.0240 172.7638 52 S 4.6880 8.3780 114.2578 57.1204 65.3343 172.9438 53 D 4.5412 8.5052 119.7796 53.5268 41.1886 176.2474 54 L 3.9739 8.4049 125.4855 56.3613 42.5445 175.9001 55 S 4.8037 8.1447 119.1715 57.3524 66.4880 172.2456 56 F 5.2187 7.8249 117.2885 55.2841 41.3563 173.4273 57 S 4.7456 9.1052 114.0024 55.6192 65.3838 174.7816 58 K 3.1615 8.4810 121.2829 59.3271 31.5997 176.3088 59 D 4.5233 7.8679 115.6039 52.6345 39.4240 176.9436 60 W 3.6934 8.3519 118.0945 57.3774 27.5266 174.5027 61 S 4.3424 7.7963 114.2466 58.0047 64.2811 173.7776 62 F 5.1285 8.1843 120.5226 57.0885 40.7996 174.2717 63 Y 5.6514 8.2132 116.9749 56.4351 41.5018 173.6654 64 L 5.1679 9.4757 120.8326 53.4087 47.1618 174.4312 65 L 5.4424 8.9946 123.5616 53.7754 44.6641 174.6719 66 Y 5.3462 9.1558 124.4373 56.7932 40.9888 174.2942 67 Y 5.1498 8.9714 119.6044 57.2413 42.0262 172.7392 68 T 4.7974 8.4653 112.9776 60.8560 71.3472 172.0690 69 E 4.2004 8.7926 128.0021 56.2056 30.6825 175.3943 70 F 4.8255 8.3526 120.1454 56.4944 42.1891 172.9469 71 T 4.3804 8.1270 114.5896 60.4986 70.7848 172.3839 72 P 4.4426 0.0000 0.0000 63.8095 32.0255 175.5510 73 T 5.4353 8.4231 115.3268 61.6077 72.6259 174.6594 74 E 4.0750 8.8816 126.3944 59.1320 30.1987 178.7785 *75 K 4.2403 7.4710 116.5363 56.6265 32.3517 182.0531 76 D 4.3228 8.1345 118.5969 54.8727 41.1940 175.7691 77 E 4.5613 8.6233 123.3548 55.6104 30.7889 174.6806 78 Y 5.3151 8.8425 122.1681 56.7307 41.1701 174.6722 79 A 5.0596 8.9253 122.3745 51.4198 23.7924 174.0490 80 C 5.3878 9.2313 119.1089 54.7950 47.1888 172.5238 81 R 5.0382 9.3376 126.6391 54.5169 32.3112 174.4526 82 V 4.8532 8.8723 126.2816 61.0616 34.9356 173.6327 83 N 5.3721 8.9427 124.9964 52.4089 42.5835 172.3362 84 H 4.9977 8.5120 122.2290 55.1763 32.8726 174.5598 85 V 3.6725 8.3841 122.8113 65.1265 30.9735 177.3365 86 T 4.1717 7.9919 107.6236 61.9922 68.8052 173.1487 87 L 4.8434 8.0245 123.7527 52.8381 43.7097 176.1491 88 S 4.3027 8.9756 119.4253 61.1485 62.7195 174.5174 89 Q 4.5878 7.5847 115.3931 53.0006 31.2185 171.9775 90 P 4.5057 0.0000 0.0000 63.6054 31.8784 175.0710 91 K 4.5952 8.7290 122.7227 54.9407 34.4190 174.8190 92 I 5.0243 8.3507 127.1172 59.5850 39.8255 175.1606 93 V 4.5169 8.6753 120.1231 59.2270 34.6867 175.4087 94 K 4.6829 8.7832 125.1804 55.9737 32.8227 176.7028 95 W 4.5730 9.4716 135.0000 57.4014 31.8587 175.3801 96 D 4.1920 8.1999 125.0758 51.8786 42.1233 175.9236 97 R 3.6951 7.2072 124.0278 58.3857 29.1523 177.1474 98 D 4.5881 8.1842 117.4647 55.4693 41.2928 176.2821 99 M 4.4070 8.4147 124.7517 55.4930 32.9467 174.9454 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 M 8.30 4.40 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 1A I 8.10 4.42 1.78 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 1.36 0.34 0.91 0.00 0.00 2 Q 9.24 5.01 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 3 R 9.12 4.79 0.00 1.91 2.00 0.00 3.20 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 1.60 1.65 0.00 4 T 8.94 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 1.26 0.00 0.00 5 P 0.00 4.77 0.00 1.90 1.67 0.00 3.73 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 1.91 1.75 0.00 6 K 9.08 4.72 0.00 1.79 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.46 7.81 7 I 8.34 5.10 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.96 0.00 0.00 8 Q 8.73 4.61 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 9 V 8.47 4.93 2.36 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 0.95 0.00 0.00 1.10 0.00 0.00 10 Y 8.35 5.16 0.00 3.12 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 11 S 9.14 4.84 0.00 4.11 3.74 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 12 R 9.19 4.10 0.00 1.77 2.23 0.00 3.10 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 13 H 8.19 5.16 0.00 3.35 3.21 0.00 5.77 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 14 P 0.00 4.36 0.00 2.11 2.08 0.00 3.80 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 2.09 2.17 0.00 15 A 8.98 4.13 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.36 4.50 0.00 2.02 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 2.25 2.35 0.00 17 N 8.23 4.51 0.00 2.81 2.76 0.00 0.00 7.03 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 18 G 8.94 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 19 K 8.56 4.14 0.00 1.66 1.62 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.24 7.81 20 S 8.37 4.27 0.00 3.71 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 21 N 8.60 4.74 0.00 2.44 2.35 0.00 0.00 7.17 7.41 0.00 0.00 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 F 9.23 4.99 0.00 3.00 2.84 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 23 L 8.87 3.96 0.00 0.27 0.75 -0.28 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.52 5.38 0.00 1.61 2.12 0.00 0.00 6.04 8.41 0.00 0.00 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 C 9.52 5.29 0.00 2.90 2.98 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 26 Y 9.38 5.36 0.00 3.38 3.19 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 27 V 8.41 4.91 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 0.65 0.00 0.00 1.00 0.00 0.00 28 S 8.77 5.19 0.00 3.94 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 29 G 8.76 4.72 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 0.00 0.00 0.00 30 F 7.69 5.71 0.00 2.95 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 31 H 8.64 5.20 0.00 3.28 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.99 0.00 2.16 2.18 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 33 S 8.45 4.16 0.00 3.41 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 34 D 7.91 4.62 0.00 2.70 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 35 I 8.06 4.84 1.67 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.69 0.86 0.00 0.00 36 E 8.89 4.67 0.00 1.86 1.71 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 2.16 2.17 0.00 37 V 7.94 4.61 0.67 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 0.41 0.00 0.00 0.50 0.00 0.00 38 D 8.92 4.94 0.00 2.51 2.44 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 0.00 0.00 0.00 0.00 39 L 8.36 4.87 0.00 1.57 1.53 0.87 0.52 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 40 L 9.57 5.23 0.00 1.56 1.51 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.04 4.19 0.00 1.74 1.60 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.74 7.81 42 N 9.70 4.33 0.00 2.75 2.76 0.00 0.00 7.02 5.86 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 43 G 7.88 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 0.00 0.00 0.00 44 E 7.68 4.42 0.00 2.00 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 2.23 2.22 0.00 45 R 8.33 4.71 0.00 1.84 1.92 0.00 3.08 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 46 I 8.35 3.79 1.96 0.00 0.00 1.00 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 0.65 0.93 0.00 0.00 47 E 8.82 4.32 0.00 1.85 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 2.28 2.33 0.00 48 K 8.35 3.73 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 V 7.62 4.06 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 0.91 0.00 0.00 0.98 0.00 0.00 50 E 8.82 4.78 0.00 1.16 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 2.01 2.02 0.00 51 H 8.22 5.91 0.00 2.22 1.82 0.00 5.32 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.38 4.69 0.00 3.97 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 53 D 8.51 4.54 0.00 2.71 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 54 L 8.40 3.97 0.00 1.60 1.61 0.78 0.58 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 55 S 8.14 4.80 0.00 3.82 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 56 F 7.82 5.22 0.00 2.70 2.36 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 57 S 9.11 4.75 0.00 3.97 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 58 K 8.48 3.16 0.00 1.61 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.32 7.81 59 D 7.87 4.52 0.00 2.83 2.69 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 60 W 8.35 3.69 0.00 3.28 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 61 S 7.80 4.34 0.00 3.81 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 62 F 8.18 5.13 0.00 1.61 2.39 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 63 Y 8.21 5.65 0.00 3.01 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 64 L 9.48 5.17 0.00 1.82 1.60 1.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.99 5.44 0.00 2.06 1.64 1.11 0.55 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 66 Y 9.16 5.35 0.00 2.98 2.85 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 67 Y 8.97 5.15 0.00 3.07 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 68 T 8.47 4.80 4.17 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 1.07 0.00 0.00 69 E 8.79 4.20 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 70 F 8.35 4.83 0.00 2.82 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 71 T 8.13 4.38 4.15 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 1.13 0.00 0.00 72 P 0.00 4.44 0.00 2.19 2.37 0.00 3.04 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 1.86 1.69 0.00 73 T 8.42 5.44 4.41 0.00 0.00 0.00 0.00 0.00 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 74 E 8.88 4.07 0.00 1.95 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 2.31 2.31 0.00 *75 K 7.47 4.24 0.00 1.88 1.69 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.27 7.81 76 D 8.13 4.32 0.00 2.83 2.62 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 77 E 8.62 4.56 0.00 1.84 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 2.36 2.28 0.00 78 Y 8.84 5.32 0.00 3.21 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 79 A 8.93 5.06 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 80 C 9.23 5.39 0.00 2.99 2.92 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 81 R 9.34 5.04 0.00 1.83 1.69 0.00 3.17 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 82 V 8.87 4.85 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 0.71 0.00 0.00 0.80 0.00 0.00 83 N 8.94 5.37 0.00 2.74 2.53 0.00 0.00 6.54 7.62 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 84 H 8.51 5.00 0.00 3.05 3.01 0.00 5.74 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.38 3.67 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 0.64 0.00 0.00 0.97 0.00 0.00 86 T 7.99 4.17 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 1.39 0.00 0.00 87 L 8.02 4.84 0.00 1.69 1.78 0.92 0.83 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 88 S 8.98 4.30 0.00 3.97 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 89 Q 7.58 4.59 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 90 P 0.00 4.51 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.56 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 91 K 8.73 4.60 0.00 1.90 1.67 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 92 I 8.35 5.02 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 1.34 0.79 0.97 0.00 0.00 93 V 8.68 4.52 2.16 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 0.77 0.00 0.00 1.02 0.00 0.00 94 K 8.78 4.68 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.47 4.57 0.00 3.26 3.35 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 96 D 8.20 4.19 0.00 2.55 2.39 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 97 R 7.21 3.70 0.00 1.85 0.99 0.00 3.00 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 98 D 8.18 4.59 0.00 2.87 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 99 M 8.41 4.41 0.00 1.94 1.93 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 2.51 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.