NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 P 4.5927 0.0000 0.0000 62.2947 32.9011 176.0634 16 T 3.8188 8.2544 113.9999 61.1504 70.1172 171.7388 17 L 4.6342 9.0207 124.9770 54.8127 42.9890 177.8997 18 V 4.5489 8.7146 116.5797 59.6070 36.1940 174.4064 19 D 4.9865 8.4403 121.3088 51.3621 42.5712 176.0165 20 E 4.0411 8.9056 116.0867 59.5172 29.0994 178.8684 21 A 4.1989 8.1570 120.1580 53.8519 18.9512 178.5226 22 T 4.4924 7.7765 106.5630 62.0188 70.4123 176.8055 23 V 3.7157 7.7292 122.7382 65.1387 31.2238 178.1393 24 D 4.4241 8.1063 119.2038 57.1023 40.5625 178.3058 25 D 4.3810 8.0738 118.0850 57.1238 40.9281 178.0677 26 F 4.3090 8.1600 120.7633 61.0396 39.5525 176.5812 27 I 3.8304 7.8160 110.4104 60.2529 37.9802 175.4919 28 A 3.7991 7.0082 124.6173 54.2659 18.5378 176.8967 29 H 4.1978 8.7690 117.6097 56.6457 26.4097 176.3299 30 S 4.0689 7.8522 116.7895 59.3570 62.9550 175.0181 31 G 3.9705 8.1931 106.7216 45.9916 0.0000 172.3363 32 K 4.7249 7.8687 117.1440 54.0979 36.0238 175.4861 33 I 4.2626 8.6262 122.3529 60.4667 38.9139 175.3582 34 V 4.5458 8.5815 126.7252 61.4892 33.6584 174.6294 35 V 4.6143 8.9803 128.1630 61.3419 33.5875 174.0602 36 L 4.9431 8.9301 129.6747 53.1579 43.5882 175.4824 37 F 5.3009 9.0856 127.8732 57.0814 41.0240 174.3543 38 F 4.0852 9.2808 126.2144 56.2180 39.7846 175.8624 39 R 3.6535 8.1244 125.8527 54.2688 30.6724 176.7398 40 G 3.8149 7.9322 105.3553 44.1352 0.0000 172.3466 41 D 4.3881 9.0123 117.8609 54.4050 41.4917 177.5702 42 A 4.0980 8.7028 128.7255 55.1432 18.8207 178.9947 43 V 3.7643 7.9954 114.8774 65.8064 31.8346 177.2519 44 R 3.9305 8.1060 117.1110 57.4808 31.0668 176.6758 45 F 5.1785 8.3069 116.3796 54.9289 39.6797 174.2076 46 P 4.4237 0.0000 0.0000 65.9704 31.5960 177.7404 47 E 4.4160 8.5515 117.1574 57.7318 29.5551 178.3818 48 A 4.1981 8.3605 122.3989 55.4556 18.4408 179.3645 49 A 4.0454 8.0663 118.8246 55.3138 17.8462 179.6298 50 D 4.3200 8.1107 117.3956 57.3102 40.8886 178.6523 51 L 3.8549 7.9165 120.2265 58.0200 41.9706 178.5220 52 A 3.4782 7.9261 119.8394 55.2899 18.3385 179.7635 53 V 3.6944 7.4427 109.5875 64.6061 31.8999 178.9856 54 V 3.7335 7.6486 111.7373 63.7564 31.3378 178.0416 55 L 3.7829 7.7057 120.4184 58.0775 41.8545 177.4305 56 P 4.2816 0.0000 0.0000 65.6386 31.0100 178.4871 57 E 4.0136 8.0392 116.3025 59.2125 29.7723 178.8957 58 L 4.2354 7.8771 119.1786 57.9055 41.2339 179.5134 59 I 3.8162 7.9000 119.7922 64.4841 36.8115 178.0457 60 N 4.4227 8.1661 116.6146 56.2004 38.8566 176.2714 61 A 4.1211 7.6505 120.1747 52.7189 20.0500 177.5462 62 F 4.6421 7.5846 115.2503 53.8002 39.1623 171.5037 63 P 4.3416 0.0000 0.0000 64.1934 31.7984 177.2897 64 G 3.9840 8.9286 110.3699 45.8468 0.0000 173.7660 65 R 4.4765 8.0605 118.5864 56.7143 32.0894 176.3468 66 L 5.5198 7.9354 116.6499 52.6874 45.6072 176.5346 67 V 4.6555 8.8123 120.5875 59.8835 34.6708 174.2800 68 A 5.4254 8.7405 123.2320 50.4947 22.0698 175.1760 69 A 4.6385 8.7558 120.4041 50.5282 23.3369 174.7720 70 E 4.8119 8.9390 122.1933 54.4903 31.8301 175.2360 71 V 4.0184 7.9588 127.4602 62.1499 32.2409 175.7176 72 A 4.0498 9.0347 130.2828 51.9292 19.3974 177.8972 73 A 4.1745 9.2039 124.8523 54.7225 18.2032 180.3755 74 E 4.0183 8.1688 113.1152 58.6717 29.9882 177.8943 75 A 4.4222 7.8955 120.5565 52.3792 19.2476 178.7354 76 E 4.0777 7.9896 118.0260 59.3344 29.4170 179.0719 77 R 3.9954 8.0571 117.1647 59.4603 30.6035 177.8387 78 G 3.9973 8.0740 105.7342 48.1098 0.0000 174.9670 79 L 4.5394 8.1889 120.9812 54.7486 41.3165 179.1084 *81 A 4.1824 8.1444 122.6535 52.3108 20.6378 179.7513 82 R 3.4944 8.0283 114.5948 59.2763 29.9746 177.4377 83 F 4.6510 8.0851 113.0859 56.9991 39.6392 175.4597 84 G 3.6506 7.6016 107.9960 46.6986 0.0000 174.0990 85 V 4.1235 7.6096 117.2247 60.6993 33.3207 174.5799 86 A 4.5931 8.4718 128.0939 51.7006 20.5002 175.9256 87 V 4.4563 7.3751 114.3132 60.9076 34.6728 173.9970 88 C 4.9265 8.1624 122.9225 56.8873 30.9853 172.0229 89 P 4.8091 0.0000 0.0000 63.4017 32.0784 175.2550 90 S 4.7413 9.2410 114.5239 57.7262 66.8939 173.0844 91 L 5.2809 8.5867 120.4161 53.0953 43.7011 175.8106 92 A 4.5110 9.3171 127.2863 50.7760 20.5189 175.8376 93 V 4.6058 8.4036 123.3656 61.3928 33.0524 175.0978 94 V 4.3543 8.6118 128.5199 60.9249 34.4825 174.1512 95 Q 4.5448 8.8272 129.9277 54.6461 29.0414 173.7948 96 P 4.5222 0.0000 0.0000 61.9284 32.2507 175.8160 97 E 4.0721 8.5468 120.5444 56.6412 30.0206 176.2522 98 R 4.6560 8.0303 120.2582 55.0524 32.3479 174.3849 99 T 4.2818 8.2852 116.5279 62.9700 69.0167 175.2738 100 L 4.1261 8.6873 127.2528 56.4848 42.1307 177.0757 101 G 4.0133 6.9619 105.6684 45.4321 0.0000 172.0762 102 V 4.3241 8.2245 118.3487 60.7954 34.1544 174.8823 103 I 4.2465 8.4666 127.2793 59.6310 37.8093 174.4761 104 A 4.4634 8.3708 128.5574 51.3542 20.2099 177.5621 105 K 4.0484 8.6080 121.7696 55.2916 31.1628 175.3277 106 I 4.1096 8.1274 119.8598 60.9931 38.2621 174.7548 107 Q 4.6206 8.4108 125.5593 53.2489 32.3124 175.2262 108 D 4.8244 8.1186 119.1848 52.5501 41.8396 177.1581 109 W 4.5874 8.8639 129.5606 60.9347 30.7904 178.1868 110 S 3.9571 8.2013 113.5891 61.0852 62.5278 176.3144 111 S 3.9817 7.9318 116.8935 61.2987 62.0495 175.5595 112 Y 4.0913 7.8674 119.3712 61.1924 37.6839 178.5356 113 L 3.7193 7.7247 119.4868 57.7498 41.5628 179.6634 114 A 3.9137 7.9123 120.4085 55.2458 18.1320 179.7775 115 Q 3.8953 7.8003 115.2941 59.1188 28.8635 178.7492 116 I 3.9580 7.9227 120.1757 64.2694 37.3645 178.2461 117 G 3.8492 8.1779 106.3780 47.7216 0.0000 176.0147 118 A 4.1885 8.0080 119.8521 52.7852 18.2657 179.0432 *120 L 4.1557 7.9197 122.1966 56.1738 44.0290 179.2300 121 A 3.9857 8.2814 120.5237 55.2511 17.7148 179.3626 122 E 3.9074 8.1990 117.7829 59.1555 29.4416 179.1592 123 V 3.5982 7.6658 117.2039 66.2142 31.7875 177.3521 124 D 4.7027 8.0802 116.9352 56.0107 41.8748 177.2383 125 Q 4.5940 7.8650 117.7744 53.4842 30.8499 172.7456 126 P 4.9178 0.0000 0.0000 62.3048 31.1549 177.2366 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 15 P 0.00 4.59 0.00 1.99 2.16 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 16 T 8.25 3.82 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 1.20 0.00 0.00 17 L 9.02 4.63 0.00 1.46 1.54 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.71 4.55 1.99 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 0.28 0.00 0.00 0.83 0.00 0.00 19 D 8.44 4.99 0.00 2.74 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 20 E 8.91 4.04 0.00 2.04 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 0.00 2.43 2.40 0.00 21 A 8.16 4.20 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 22 T 7.78 4.49 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 1.23 0.00 0.00 23 V 7.73 3.72 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 0.90 0.00 0.00 1.03 0.00 0.00 24 D 8.11 4.42 0.00 2.83 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 25 D 8.07 4.38 0.00 2.71 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 26 F 8.16 4.31 0.00 3.12 3.33 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 27 I 7.82 3.83 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.68 1.04 0.00 0.00 28 A 7.01 3.80 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 29 H 8.77 4.20 0.00 3.27 3.38 0.00 5.90 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.85 4.07 0.00 3.89 3.95 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 0.00 0.00 0.00 31 G 8.19 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.87 4.72 0.00 1.58 1.79 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.57 7.81 33 I 8.63 4.26 1.81 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 1.08 0.88 0.87 0.00 0.00 34 V 8.58 4.55 1.99 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 0.97 0.00 0.00 0.91 0.00 0.00 35 V 8.98 4.61 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 0.91 0.00 0.00 0.89 0.00 0.00 36 L 8.93 4.94 0.00 1.51 1.23 0.36 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.09 5.30 0.00 2.93 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 38 F 9.28 4.09 0.00 2.90 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 39 R 8.12 3.65 0.00 0.67 1.38 0.00 3.12 0.00 0.00 3.25 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 40 G 7.93 3.81 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 0.00 0.00 0.00 41 D 9.01 4.39 0.00 2.87 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 42 A 8.70 4.10 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 43 V 8.00 3.76 2.27 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 0.79 0.00 0.00 0.93 0.00 0.00 44 R 8.11 3.93 0.00 1.41 0.91 0.00 3.08 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 45 F 8.31 5.18 0.00 3.11 2.95 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 0.00 0.00 0.00 46 P 0.00 4.42 0.00 2.29 2.42 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 47 E 8.55 4.42 0.00 2.24 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 0.00 2.48 2.26 0.00 48 A 8.36 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.07 4.05 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 50 D 8.11 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 51 L 7.92 3.85 0.00 1.77 1.86 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.93 3.48 1.46 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 0.00 0.00 0.00 53 V 7.44 3.69 2.06 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 0.83 0.00 0.00 0.99 0.00 0.00 54 V 7.65 3.73 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 0.74 0.00 0.00 0.92 0.00 0.00 55 L 7.71 3.78 0.00 1.51 1.58 0.84 0.56 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 56 P 0.00 4.28 0.00 2.18 2.08 0.00 3.73 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 2.09 2.15 0.00 57 E 8.04 4.01 0.00 2.11 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 2.30 2.32 0.00 58 L 7.88 4.24 0.00 2.00 1.79 1.00 0.73 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 59 I 7.90 3.82 2.04 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 1.65 1.41 0.99 0.00 0.00 60 N 8.17 4.42 0.00 2.85 3.01 0.00 0.00 7.23 7.36 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 61 A 7.65 4.12 1.10 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 0.00 0.00 62 F 7.58 4.64 0.00 3.09 2.96 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 63 P 0.00 4.34 0.00 2.04 2.03 0.00 3.73 0.00 0.00 3.61 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 64 G 8.93 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 0.00 0.00 0.00 65 R 8.06 4.48 0.00 1.92 1.97 0.00 3.26 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 66 L 7.94 5.52 0.00 1.50 1.51 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.81 4.66 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 0.77 0.00 0.00 0.93 0.00 0.00 68 A 8.74 5.43 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 69 A 8.76 4.64 1.06 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 0.00 0.00 70 E 8.94 4.81 0.00 2.17 1.75 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 2.02 1.97 0.00 71 V 7.96 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.05 0.00 0.00 72 A 9.03 4.05 1.19 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 0.00 0.00 73 A 9.20 4.17 1.31 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 0.00 0.00 74 E 8.17 4.02 0.00 2.13 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 0.00 2.26 2.31 0.00 75 A 7.90 4.42 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 76 E 7.99 4.08 0.00 2.21 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 0.00 2.47 2.48 0.00 77 R 8.06 4.00 0.00 1.78 1.98 0.00 3.24 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 78 G 8.07 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 79 L 8.19 4.54 0.00 2.12 2.17 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *81 A 8.14 4.18 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 82 R 8.03 3.49 0.00 1.60 1.69 0.00 2.98 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 83 F 8.09 4.65 0.00 3.31 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 84 G 7.60 3.65 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 0.00 85 V 7.61 4.12 1.47 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 0.34 0.00 0.00 0.71 0.00 0.00 86 A 8.47 4.59 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 87 V 7.38 4.46 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 0.90 0.00 0.00 0.93 0.00 0.00 88 C 8.16 4.93 0.00 1.46 2.28 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 89 P 0.00 4.81 0.00 2.26 2.27 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 90 S 9.24 4.74 0.00 3.90 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 91 L 8.59 5.28 0.00 1.56 1.66 0.89 0.78 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 92 A 9.32 4.51 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 4.61 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 0.73 0.00 0.00 0.90 0.00 0.00 94 V 8.61 4.35 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 0.99 0.00 0.00 0.60 0.00 0.00 95 Q 8.83 4.54 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 96 P 0.00 4.52 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 97 E 8.55 4.07 0.00 1.98 1.93 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 2.31 2.32 0.00 98 R 8.03 4.66 0.00 1.91 1.83 0.00 3.08 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 99 T 8.29 4.28 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 1.25 0.00 0.00 100 L 8.69 4.13 0.00 1.64 1.73 0.92 0.92 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 0.00 101 G 6.96 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 0.00 102 V 8.22 4.32 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 0.90 0.00 0.00 0.95 0.00 0.00 103 I 8.47 4.25 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.86 0.00 0.00 104 A 8.37 4.46 1.24 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 0.00 0.00 105 K 8.61 4.05 0.00 1.94 1.92 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 106 I 8.13 4.11 1.94 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 1.49 0.74 0.95 0.00 0.00 107 Q 8.41 4.62 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 108 D 8.12 4.82 0.00 3.06 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 0.00 109 W 8.86 4.59 0.00 3.41 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 0.00 110 S 8.20 3.96 0.00 4.05 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 0.00 111 S 7.93 3.98 0.00 3.89 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 0.00 112 Y 7.87 4.09 0.00 3.17 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 0.00 113 L 7.72 3.72 0.00 1.33 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.91 3.91 1.31 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 0.00 0.00 115 Q 7.80 3.90 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 116 I 7.92 3.96 1.89 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 1.48 0.61 0.90 0.00 0.00 117 G 8.18 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 0.00 0.00 0.00 118 A 8.01 4.19 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 *120 L 7.92 4.16 0.00 1.87 1.76 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.28 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.20 3.91 0.00 2.11 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 2.30 2.35 0.00 123 V 7.67 3.60 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 0.93 0.00 0.00 0.93 0.00 0.00 124 D 8.08 4.70 0.00 2.70 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 0.00 125 Q 7.87 4.59 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 126 P 0.00 4.92 0.00 2.17 2.04 0.00 3.40 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.