NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6226 8.3049 120.6185 55.6164 33.0225 174.1671 2 K 4.6231 8.6983 125.4813 54.0134 35.8841 173.8213 3 K 5.1434 8.7503 120.9001 54.8047 35.2082 175.5244 4 L 4.7769 8.9339 125.0833 53.5769 45.1712 175.0442 5 Q 5.4337 8.8640 124.4766 54.2255 32.8284 174.4846 6 I 5.0974 9.0496 122.6268 59.5315 41.2963 174.0878 7 A 5.2754 9.1484 128.7269 50.4102 21.3404 175.8119 8 V 4.7556 9.4909 122.8725 60.8994 34.7373 174.3450 9 G 4.3411 8.8201 115.2040 44.7385 0.0000 173.0299 10 I 4.2247 9.0043 127.9480 59.8992 38.7085 175.0391 11 I 4.5380 8.2167 129.3606 60.0154 38.4147 174.8898 12 R 5.4928 8.9423 128.5247 54.7278 32.2236 175.2842 13 N 5.1920 9.1718 124.5898 51.7869 39.9939 175.4651 14 E 4.0757 8.8529 116.9551 59.0055 29.6393 177.5040 15 N 4.7011 8.3502 115.2955 52.4542 38.8212 174.2236 16 N 4.3020 8.0279 115.9984 55.0229 38.0404 173.0159 17 E 5.3172 8.4383 114.2733 54.4031 33.0094 175.3347 18 I 5.9236 9.1138 123.3303 58.8492 40.7512 174.6238 19 F 4.1462 8.7071 128.0544 57.5358 39.7636 174.5658 20 I 4.5205 7.9108 127.7198 59.5576 40.0424 175.0941 21 T 4.7955 8.3912 115.5033 60.0160 72.0592 172.9464 22 R 4.8742 8.1394 120.4953 54.6252 33.0224 177.0838 23 R 3.9106 8.1077 118.9710 59.0927 31.6981 177.7433 *31 N 4.6410 8.3521 113.1154 53.2652 40.2717 175.7120 32 K 4.1190 8.9438 113.8159 56.4023 34.3438 177.1645 33 L 4.3358 8.1222 122.9550 54.2468 43.5885 175.4827 34 E 4.5491 8.3625 118.1614 55.7908 33.3284 174.0210 35 F 5.1478 8.5832 118.6038 55.7999 40.7206 174.5106 36 P 4.5310 0.0000 0.0000 62.1733 32.5691 176.0526 37 G 4.3817 8.0825 111.7619 44.9010 0.0000 171.4720 38 G 4.0733 7.5604 104.9735 45.9528 0.0000 172.5549 39 K 4.6650 8.8083 121.3495 56.6486 32.9459 176.9225 40 I 4.1673 8.5070 128.7846 60.4955 37.8045 176.0137 41 E 4.3333 9.2375 127.4049 55.1095 30.5253 176.1084 42 M 4.1156 8.3707 119.8978 57.4551 32.1931 177.5238 43 G 3.9388 8.9575 110.8015 45.4866 0.0000 172.8327 44 E 4.7406 7.7116 118.8876 54.9303 31.6096 176.3714 45 T 4.3512 8.1333 112.5212 60.0409 71.9643 174.2551 46 P 3.9044 0.0000 0.0000 65.6947 31.2302 178.8864 47 E 3.3371 7.8279 116.8052 59.3149 29.3897 179.2328 48 Q 3.9095 7.8576 117.5217 58.7481 28.6267 178.7252 49 A 3.8950 7.8354 122.1750 55.0229 18.4810 180.1059 50 V 3.4174 7.4041 117.5193 64.6424 31.3514 178.9227 51 V 3.2448 7.2253 118.4086 65.5638 31.4087 177.9878 52 R 3.9340 7.9563 118.5060 59.6409 29.5225 178.3386 53 E 3.9309 8.3408 118.6601 59.4102 29.3917 179.4406 54 L 3.9372 7.7819 118.9208 57.6566 41.6590 179.5116 55 Q 4.1603 7.9289 119.5413 58.2703 28.3557 178.6632 56 E 3.9825 7.9407 118.8466 59.3791 29.4654 178.7849 57 E 4.0836 8.4543 118.8394 58.2254 29.7727 178.5148 58 V 4.8061 6.9102 108.2836 59.1371 32.9924 176.1661 59 G 3.8732 7.6572 106.4366 46.5211 0.0000 173.7392 60 I 4.7705 7.4010 110.9263 58.8005 40.8416 174.1142 61 T 4.6824 8.3802 117.9952 61.0445 70.4041 172.1207 62 P 4.7198 0.0000 0.0000 63.3325 31.4613 176.1392 63 Q 4.6779 9.3996 121.6009 56.9405 31.7397 175.4676 64 H 5.0522 8.4089 119.2413 54.2922 32.5275 172.3209 65 F 6.0651 8.2942 119.3794 56.2649 40.6733 173.3810 66 S 5.0781 8.9008 114.0219 56.3136 67.1408 172.4978 67 L 3.9205 8.7407 123.1862 55.2541 41.6161 176.0521 68 F 4.5427 9.3894 130.1177 60.6170 40.2521 175.2885 69 E 4.5591 7.7451 116.4933 54.9161 33.0285 173.8556 70 K 4.7900 8.3287 125.3730 54.7100 34.8946 174.9946 71 L 4.6720 8.7621 127.4990 52.9257 44.4752 175.4483 72 E 4.9865 8.2106 121.0405 54.6889 33.0187 175.0202 73 Y 4.3091 8.8732 120.2460 56.2306 41.7787 174.1880 74 E 4.6960 8.6535 124.3547 54.8797 30.9538 175.4818 75 F 5.2428 8.7333 123.6108 54.3975 42.0606 173.6753 76 P 4.4936 0.0000 0.0000 64.3725 31.5247 176.8932 77 D 4.6069 9.2577 120.9686 54.7426 39.0694 173.2689 78 R 5.1687 8.2629 118.5951 54.8424 34.8651 173.3259 79 H 5.2331 9.4395 124.2586 54.5459 32.1835 172.7105 80 I 5.5884 8.6105 126.9445 59.1163 40.0204 174.7866 81 T 4.9676 8.4767 122.1545 61.6859 72.2394 172.5454 82 L 5.0522 9.1468 126.5699 52.8816 44.2791 175.4012 83 W 4.7428 9.5320 124.9485 55.1113 31.2241 175.1710 84 F 4.9722 9.2042 125.5494 55.8935 40.2670 175.0859 85 W 5.3817 9.5349 124.6753 54.8757 32.0833 175.0042 86 L 4.8165 9.2925 127.1794 54.0546 43.0801 175.3803 87 V 4.7326 9.2864 128.6914 62.0903 32.2562 175.6913 88 E 5.1305 9.2960 127.5915 56.5825 31.4229 176.6163 89 R 4.4835 8.1904 116.0909 54.5064 32.9207 174.0463 90 W 5.5530 7.6385 117.8249 55.8326 31.6183 172.6531 91 E 4.5265 9.2260 121.4867 55.9010 31.1819 175.6251 92 G 4.0717 9.3902 111.7357 44.5486 0.0000 171.5664 93 E 4.8882 8.3495 118.2070 53.3446 31.8675 173.7521 94 P 4.2750 0.0000 0.0000 62.4413 31.9322 175.4096 95 W 5.2094 8.3645 118.5839 55.4523 31.8611 174.9995 96 G 4.4525 8.6284 107.6875 43.4190 0.0000 174.2577 97 K 2.0000 6.8501 121.3728 58.7775 32.6477 177.1621 98 E 4.2330 7.7818 116.0320 56.0843 29.2414 176.7924 99 G 3.8683 7.8842 106.1928 45.8147 0.0000 173.9945 100 Q 4.5032 7.3984 117.0650 53.4780 30.7730 173.1321 101 P 4.4266 0.0000 0.0000 62.9990 32.5118 175.5798 102 G 4.3188 8.1511 109.1801 45.0834 0.0000 171.4258 103 E 4.7558 7.7014 118.1412 55.0639 33.3768 174.3392 104 W 5.1103 8.8727 120.8652 56.3820 30.5922 175.8902 105 M 5.0799 9.2116 123.6054 53.2323 35.1654 175.4954 106 S 4.7450 8.8124 117.5795 58.0543 64.4636 175.1727 107 L 4.0495 8.6900 123.3546 58.1487 41.6795 179.7572 108 V 3.5861 8.1275 116.7755 65.9413 31.2694 176.7510 109 G 3.9242 7.6432 104.3784 45.6700 0.0000 173.7798 110 L 4.1611 7.8158 121.3182 54.6315 42.2574 175.9319 111 N 4.9343 8.7791 121.0865 51.3399 41.1764 174.8436 112 A 4.0721 8.7547 128.8424 55.3444 18.6746 178.7846 113 D 4.5588 8.2680 114.1860 56.8262 41.1872 176.9348 114 D 4.5111 8.4164 118.4970 55.0204 41.3074 175.9568 115 F 5.2789 7.5841 116.4581 53.5957 41.8732 173.6108 116 P 4.4548 0.0000 0.0000 61.8418 31.9510 175.9272 117 P 4.2664 0.0000 0.0000 66.4739 30.4440 178.4856 118 A 4.1987 8.0835 118.9678 54.9405 18.5875 178.3880 119 N 4.5998 8.5627 113.5720 54.1636 38.8070 176.6016 120 E 3.8837 8.0804 122.4438 59.1875 29.7483 177.1513 121 P 4.2078 0.0000 0.0000 65.8174 31.2710 178.4725 122 V 3.5080 7.4919 117.5587 65.6724 31.3071 177.9314 123 I 3.6177 7.9075 119.5184 64.1975 36.7104 178.1039 124 A 4.1653 7.7840 120.3225 55.2015 18.2700 179.3237 125 K 4.0485 7.9529 117.8277 59.4012 32.0345 178.8439 126 L 3.9921 8.3633 119.9620 57.6330 43.5331 178.4990 127 K 4.3903 8.6551 120.3001 54.5614 28.4146 174.2343 128 R 4.6085 7.3648 124.6593 56.6382 37.7400 173.9280 129 L 4.3252 7.5747 123.5208 55.0315 42.0656 175.8301 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 4.62 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 2 K 8.70 4.62 0.00 1.76 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.52 7.81 3 K 8.75 5.14 0.00 1.68 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 4 L 8.93 4.78 0.00 1.76 1.52 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.86 5.43 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 6 I 9.05 5.10 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.93 0.00 0.00 7 A 9.15 5.28 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 8 V 9.49 4.76 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 0.91 0.00 0.00 0.49 0.00 0.00 9 G 8.82 4.34 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 0.00 10 I 9.00 4.22 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.65 0.66 0.00 0.00 11 I 8.22 4.54 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.78 0.04 0.00 0.00 12 R 8.94 5.49 0.00 1.92 1.96 0.00 3.37 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 13 N 9.17 5.19 0.00 2.80 2.89 0.00 0.00 6.60 7.22 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 14 E 8.85 4.08 0.00 1.91 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 0.00 2.25 2.34 0.00 15 N 8.35 4.70 0.00 2.77 2.81 0.00 0.00 6.92 7.56 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 16 N 8.03 4.30 0.00 2.96 2.91 0.00 0.00 7.05 8.44 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 17 E 8.44 5.32 0.00 2.23 2.18 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 2.42 2.54 0.00 18 I 9.11 5.92 2.08 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 1.26 1.28 1.24 0.00 0.00 19 F 8.71 4.15 0.00 1.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 4.52 1.62 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 1.45 0.85 0.64 0.00 0.00 21 T 8.39 4.80 4.12 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 1.13 0.00 0.00 22 R 8.14 4.87 0.00 1.57 1.74 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 23 R 8.11 3.91 0.00 1.73 1.92 0.00 3.28 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 *31 N 8.35 4.64 0.00 2.69 2.54 0.00 0.00 6.99 6.68 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 32 K 8.94 4.12 0.00 1.66 1.59 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.41 7.81 33 L 8.12 4.34 0.00 0.44 0.37 0.67 0.54 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 34 E 8.36 4.55 0.00 2.03 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 2.07 2.20 0.00 35 F 8.58 5.15 0.00 3.12 3.21 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 36 P 0.00 4.53 0.00 2.08 1.96 0.00 4.14 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 2.21 2.19 0.00 37 G 8.08 4.38 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 0.00 38 G 7.56 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 39 K 8.81 4.66 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 40 I 8.51 4.17 1.87 0.00 0.00 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 1.16 0.81 0.83 0.00 0.00 41 E 9.24 4.33 0.00 1.97 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 2.29 2.40 0.00 42 M 8.37 4.12 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 43 G 8.96 3.94 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 0.00 0.00 0.00 44 E 7.71 4.74 0.00 2.02 1.80 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 2.22 2.28 0.00 45 T 8.13 4.35 4.27 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 1.17 0.00 0.00 46 P 0.00 3.90 0.00 1.86 0.76 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.27 0.00 47 E 7.83 3.34 0.00 1.92 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 2.20 1.84 0.00 48 Q 7.86 3.91 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 49 A 7.84 3.90 1.33 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 0.00 0.00 0.00 50 V 7.40 3.42 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 -0.25 0.00 0.00 0.77 0.00 0.00 51 V 7.23 3.24 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 0.90 0.00 0.00 0.72 0.00 0.00 52 R 7.96 3.93 0.00 1.90 1.95 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 53 E 8.34 3.93 0.00 1.99 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 2.45 0.00 54 L 7.78 3.94 0.00 1.61 1.53 0.72 0.87 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 Q 7.93 4.16 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 56 E 7.94 3.98 0.00 2.02 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 2.29 2.52 0.00 57 E 8.45 4.08 0.00 1.91 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 2.40 2.48 0.00 58 V 6.91 4.81 1.58 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 0.86 0.00 0.00 0.70 0.00 0.00 59 G 7.66 3.87 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 0.00 0.00 0.00 60 I 7.40 4.77 1.97 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 0.80 0.00 0.00 61 T 8.38 4.68 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 62 P 0.00 4.72 0.00 1.35 1.68 0.00 3.46 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 63 Q 9.40 4.68 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 64 H 8.41 5.05 0.00 3.26 3.25 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.29 6.07 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 5.08 0.00 4.00 4.03 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 67 L 8.74 3.92 0.00 1.34 1.56 0.26 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.39 4.54 0.00 3.02 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 69 E 7.75 4.56 0.00 1.76 1.60 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 2.02 2.21 0.00 70 K 8.33 4.79 0.00 1.28 1.28 0.00 1.30 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.31 7.81 71 L 8.76 4.67 0.00 1.73 1.27 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.21 4.99 0.00 1.60 1.73 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 1.95 2.06 0.00 73 Y 8.87 4.31 0.00 2.37 1.82 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 74 E 8.65 4.70 0.00 1.76 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 2.13 2.22 0.00 75 F 8.73 5.24 0.00 3.20 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 76 P 0.00 4.49 0.00 2.09 2.06 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 77 D 9.26 4.61 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 78 R 8.26 5.17 0.00 1.88 1.91 0.00 3.31 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 79 H 9.44 5.23 0.00 3.19 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.61 5.59 1.91 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 1.00 0.00 0.00 81 T 8.48 4.97 4.34 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 0.69 0.00 0.00 82 L 9.15 5.05 0.00 1.77 1.53 1.05 1.04 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 83 W 9.53 4.74 0.00 3.23 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 84 F 9.20 4.97 0.00 3.08 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 85 W 9.53 5.38 0.00 3.26 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 86 L 9.29 4.82 0.00 1.80 1.74 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.29 4.73 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 1.09 0.00 0.00 0.91 0.00 0.00 88 E 9.30 5.13 0.00 2.12 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 0.00 2.42 2.40 0.00 89 R 8.19 4.48 0.00 1.69 1.96 0.00 2.97 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 90 W 7.64 5.55 0.00 3.42 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 91 E 9.23 4.53 0.00 2.34 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 2.29 2.28 0.00 92 G 9.39 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 93 E 8.35 4.89 0.00 2.00 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 2.52 0.00 94 P 0.00 4.28 0.00 0.71 0.49 0.00 4.06 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.45 0.00 95 W 8.36 5.21 0.00 3.60 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 96 G 8.63 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 97 K 6.85 2.00 0.00 0.79 1.31 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.12 0.95 7.81 98 E 7.78 4.23 0.00 2.01 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 2.16 2.18 0.00 99 G 7.88 3.87 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 0.00 0.00 0.00 100 Q 7.40 4.50 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 101 P 0.00 4.43 0.00 2.00 1.94 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 102 G 8.15 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 0.00 0.00 0.00 0.00 103 E 7.70 4.76 0.00 1.99 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 1.93 2.12 0.00 104 W 8.87 5.11 0.00 3.28 3.27 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 0.00 105 M 9.21 5.08 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 106 S 8.81 4.75 0.00 4.06 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 0.00 107 L 8.69 4.05 0.00 1.81 1.81 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.13 3.59 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 0.80 0.00 0.00 0.96 0.00 0.00 109 G 7.64 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 0.00 0.00 0.00 110 L 7.82 4.16 0.00 1.82 1.66 0.98 0.93 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 0.00 111 N 8.78 4.93 0.00 2.80 2.88 0.00 0.00 7.09 7.69 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 0.00 112 A 8.75 4.07 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 0.00 113 D 8.27 4.56 0.00 2.72 2.77 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 0.00 114 D 8.42 4.51 0.00 2.94 2.47 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 0.00 115 F 7.58 5.28 0.00 2.93 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 0.00 116 P 0.00 4.45 0.00 2.26 2.01 0.00 3.95 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 117 P 0.00 4.27 0.00 2.31 2.39 0.00 3.74 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 2.13 2.10 0.00 118 A 8.08 4.20 1.44 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 0.00 0.00 119 N 8.56 4.60 0.00 2.92 2.97 0.00 0.00 6.48 7.28 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 0.00 120 E 8.08 3.88 0.00 2.18 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 2.32 2.36 0.00 121 P 0.00 4.21 0.00 2.20 2.24 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 122 V 7.49 3.51 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 0.66 0.00 0.00 0.00 0.00 0.00 123 I 7.91 3.62 1.90 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.78 0.00 0.00 124 A 7.78 4.17 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 0.00 125 K 7.95 4.05 0.00 1.94 2.05 0.00 1.33 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.32 7.81 126 L 8.36 3.99 0.00 1.91 1.80 0.16 0.53 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 0.00 127 K 8.66 4.39 0.00 1.69 1.86 0.00 2.02 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.62 7.81 128 R 7.36 4.61 0.00 1.95 2.08 0.00 3.27 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 129 L 7.57 4.33 0.00 1.64 1.59 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.