NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6343 8.1633 120.3347 55.1289 34.3120 177.3160 2 E 3.8695 8.2924 118.7280 58.8185 29.6454 177.5381 3 A 3.9815 8.7630 121.6980 54.4901 19.4278 177.6553 4 F 4.6447 7.9375 112.7944 58.0161 39.6894 176.5047 5 L 4.3628 7.6336 121.8509 55.3039 42.2583 175.9966 6 G 3.6565 8.0088 108.2474 44.3174 0.0000 171.8221 7 T 5.1135 8.0242 116.0215 61.5701 71.4408 173.8910 8 W 5.5154 9.3325 125.0574 54.8215 33.5690 173.9060 9 K 5.1383 9.3820 125.9246 54.6994 34.0498 174.7473 10 M 3.7707 8.7515 128.3263 55.8092 32.0571 175.2909 11 E 4.5444 9.1935 126.2668 57.7434 31.0935 176.3861 12 K 4.6819 7.5111 116.2220 55.5793 36.5291 175.0158 13 S 4.9712 8.3288 114.6980 56.9472 65.7313 172.8306 14 E 4.6016 9.1290 125.7481 55.7112 33.3398 176.9797 15 G 3.9862 9.1958 111.4790 45.9393 0.0000 174.9199 16 F 4.3867 8.1257 122.2935 60.9877 39.2753 176.3646 17 D 4.2341 8.1985 118.5690 56.6611 39.0371 178.8184 18 K 4.1727 7.8828 120.9456 58.2740 32.0345 179.2964 19 I 3.6130 7.6052 119.8834 64.7263 37.0756 178.3550 20 M 3.8313 7.7693 119.5455 58.2633 31.7172 178.6905 21 E 3.8888 8.2221 118.8228 59.5176 29.4501 179.4919 22 R 4.0053 7.7209 117.3895 59.0335 30.2370 177.7720 23 L 4.2760 7.6931 116.6412 54.9447 41.8486 177.7079 24 G 3.8588 7.6283 106.9412 45.3681 0.0000 173.9046 25 V 3.6388 7.3752 119.5418 62.3527 32.0370 176.4325 26 D 4.6878 8.4337 126.5888 52.5935 41.6948 177.0767 27 F 3.9469 8.8127 121.8691 61.7658 39.4201 177.4957 28 V 3.6562 7.9588 117.0760 66.3540 31.4318 177.9743 29 T 3.7496 8.2183 115.5628 66.5278 68.2697 177.0150 30 R 3.7918 8.1196 120.3713 58.7985 29.7906 178.7904 31 K 3.6260 7.4110 118.5605 59.6788 32.4036 178.1420 32 M 4.1131 7.7033 117.8652 58.6619 31.9432 178.4412 33 G 3.6941 8.0614 104.7098 47.7514 0.0000 174.8644 34 N 4.6450 8.0603 117.1591 55.1024 38.7280 176.8990 35 L 4.2312 7.4864 119.9263 56.0650 42.5218 177.9342 36 V 3.9476 7.0551 110.2560 61.0100 32.2946 176.3397 37 K 4.3702 8.1157 122.0465 53.6804 32.7619 174.2901 38 P 4.8409 0.0000 0.0000 62.4868 33.5802 175.3488 39 N 5.5057 8.9650 117.8102 52.3134 41.0915 174.1162 40 L 5.2397 9.3326 122.6140 53.5548 45.5011 175.0428 41 I 4.9703 9.3786 127.5864 59.6451 39.9484 174.5776 42 V 5.0689 9.1648 128.4165 61.3094 33.7208 174.4803 43 T 4.9891 8.9970 117.8320 59.8615 72.3085 172.4269 44 D 4.7679 8.7412 123.6769 53.4293 41.6157 175.9450 45 L 4.1432 8.3467 125.9208 54.2128 42.4476 177.9790 46 G 3.8768 8.2514 105.0199 46.5692 0.0000 174.0555 47 G 3.4578 9.0683 106.0057 46.1927 0.0000 175.1323 48 G 3.8473 7.9766 106.3903 44.9323 0.0000 173.6826 49 K 4.5459 7.3498 119.4189 55.4153 34.1384 175.3998 50 Y 4.9034 8.1773 119.6853 56.0384 42.8058 174.0532 51 K 4.7942 8.8789 121.9492 54.9113 35.9360 174.5372 52 M 5.2331 8.8906 125.5857 53.5874 34.9934 174.4680 53 R 5.0900 9.2542 124.1958 54.4680 33.5043 173.9838 54 S 5.6121 9.2402 120.8329 55.7482 65.2921 172.1319 55 E 5.1220 8.7930 126.6189 54.7226 32.1620 175.2352 56 S 4.8930 8.4940 117.5621 57.5188 66.5638 175.3295 57 T 3.8408 8.7396 114.2707 64.9980 67.3089 175.0243 58 F 4.6249 8.2616 123.4777 59.3329 39.4566 174.7438 59 K 4.1284 7.2540 116.8221 56.7396 35.1637 172.9675 60 T 4.8902 8.3909 116.3149 62.4877 69.7885 174.6667 61 T 4.8587 8.8524 115.9548 60.4642 72.4970 173.2363 62 E 5.1818 8.1142 118.4366 56.7098 32.0155 173.7848 *64 S 4.5157 8.5711 114.4419 59.1861 64.1070 173.2810 65 F 4.5210 8.0425 117.0834 55.9295 41.2665 172.9001 66 K 5.2114 8.2712 118.1402 53.4508 33.6669 176.4314 67 L 4.3368 8.6216 122.6101 56.1928 42.1503 178.0289 68 G 3.8080 9.2235 111.0650 46.0615 0.0000 172.8993 69 E 4.5439 7.6701 117.5510 53.3155 31.2542 175.4021 70 K 4.4916 8.7602 128.3492 57.0354 33.0060 175.6203 71 F 5.1501 8.9495 120.7608 55.2333 42.0560 173.2687 72 K 4.7123 8.7782 119.4294 55.8169 32.8878 176.0037 73 E 4.8587 9.1001 125.5933 54.2919 33.3914 174.3036 74 V 4.9087 8.2949 124.9011 61.1615 33.3332 175.6944 75 T 4.2881 8.6638 118.3322 60.4870 69.5855 173.7692 76 P 4.2673 0.0000 0.0000 65.4009 31.3979 177.1984 77 D 4.7425 8.1647 115.2334 52.7893 39.8831 175.6824 78 S 3.7804 7.9849 112.4327 59.7189 60.8703 170.7173 79 R 4.5102 7.8136 118.7144 54.6878 31.7196 175.9183 80 E 4.7943 8.5837 121.8516 56.0142 30.2040 176.3383 81 V 4.6938 8.9476 117.5513 59.3382 36.4699 174.4603 82 A 4.7013 8.5866 125.0083 51.0707 20.1427 176.7585 83 S 5.4255 8.5674 118.5064 56.0088 67.1725 173.3718 84 L 4.7567 7.8957 122.5131 54.2092 45.5010 173.9077 85 I 5.2044 8.6904 126.8348 59.7597 40.5328 174.6388 86 T 5.0237 8.9455 115.9672 59.9527 73.0547 172.5083 87 V 4.9035 8.2808 120.5356 61.0743 34.3014 174.3480 88 E 4.4968 9.0309 127.9437 55.6317 32.2303 174.8563 89 N 4.3444 10.1054 124.9292 54.3799 36.2619 175.3786 90 G 3.9609 8.5124 105.1437 45.0806 0.0000 173.5932 91 V 4.5056 7.5726 120.8766 61.4122 33.3563 174.5054 92 M 4.4045 8.9153 128.9593 55.2996 33.3138 174.7433 93 K 4.8974 9.1897 126.4325 54.9523 34.8563 174.7992 94 H 5.1974 9.2748 125.6646 54.3974 32.5168 171.8604 95 E 4.9050 8.9218 124.6084 55.0869 32.4340 175.5231 96 Q 4.3711 8.5920 119.9074 54.5128 32.8168 173.5485 97 D 5.1204 9.0055 126.1749 52.6180 42.5113 176.2600 98 D 4.7356 8.7982 125.0691 52.8918 39.8813 177.4668 99 K 4.1661 8.6563 119.6415 56.7622 31.3213 176.8558 100 T 4.4049 8.0704 112.7036 64.2814 70.5061 174.5505 101 K 4.6067 8.6427 120.1036 54.2969 35.2538 174.8938 102 V 4.5925 8.1138 121.4085 61.5690 33.1935 174.8133 103 T 4.5521 8.6012 125.1372 62.3601 70.5585 173.1662 104 Y 4.8447 8.9156 124.3786 56.3646 40.4194 174.6511 105 I 5.0042 8.7847 125.8337 59.4859 40.3349 174.6087 106 E 5.0925 9.3364 125.7890 54.5961 33.0213 174.9137 107 R 5.1463 8.9617 123.6005 54.4880 33.0856 175.4915 108 V 4.9256 8.8558 116.1369 59.5218 36.0506 174.6039 109 V 4.6768 8.1762 122.8598 61.0264 34.1926 174.6057 110 E 4.4610 8.8390 127.7166 55.0834 32.6925 175.9445 111 G 3.8097 8.3625 117.6481 47.3695 0.0000 173.2675 112 N 4.8102 8.9548 123.2203 52.8240 38.8140 173.0113 113 E 5.2707 8.4107 121.0069 54.2676 32.6768 174.1044 114 L 4.8484 8.8507 128.8390 53.1301 44.5402 174.8264 115 K 5.0695 9.1226 125.7766 54.5841 34.9809 174.8226 116 A 5.0325 9.2282 127.9991 50.6738 21.0606 175.2790 117 T 4.8492 8.9789 120.3658 62.8364 70.5957 174.3933 118 V 4.9044 8.9693 126.4687 61.0217 34.5039 174.3036 119 K 5.6935 9.2564 126.6835 53.6201 36.1442 175.4422 120 V 4.5529 8.0267 123.0619 61.2382 34.6749 174.4951 121 D 4.1308 9.1403 128.6573 55.9282 39.9822 175.3054 122 E 4.2678 8.7960 125.0951 57.6431 30.2916 176.5445 123 V 3.7957 7.9373 121.8161 62.7249 32.1860 174.4654 124 V 4.9049 8.2756 126.2044 61.2300 34.0385 173.9455 125 C 5.1489 9.3123 127.6079 57.5632 35.2483 172.5388 126 V 4.8918 8.6802 124.3560 61.1561 34.4963 174.1447 127 R 4.9089 9.1081 126.8760 54.7453 33.0331 174.6455 128 T 5.1097 8.7534 121.3428 62.0326 71.1070 173.2973 129 Y 5.3517 9.3935 123.8526 56.1847 41.9525 174.6812 130 S 5.5238 9.0827 116.7544 56.3201 66.1267 173.2513 131 K 3.8487 8.9469 124.6217 56.9147 31.9471 176.3671 132 V 4.0466 8.4441 127.9241 64.3982 32.7133 175.6452 133 A 4.0399 7.2437 127.2282 52.4850 19.0030 175.5740 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 8.16 4.63 0.00 1.42 1.65 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.15 0.00 2 E 8.29 3.87 0.00 2.19 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 2.46 2.51 0.00 3 A 8.76 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.94 4.64 0.00 3.24 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 5 L 7.63 4.36 0.00 1.69 1.71 1.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.01 3.66 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 0.00 0.00 0.00 7 T 8.02 5.11 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 1.22 0.00 0.00 8 W 9.33 5.52 0.00 3.15 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 9 K 9.38 5.14 0.00 1.91 1.74 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.43 7.81 10 M 8.75 3.77 0.00 1.79 1.33 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.15 0.00 11 E 9.19 4.54 0.00 1.91 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 2.47 2.42 0.00 12 K 7.51 4.68 0.00 1.72 1.80 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 13 S 8.33 4.97 0.00 3.65 3.62 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 14 E 9.13 4.60 0.00 1.90 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 2.21 2.22 0.00 15 G 9.20 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.13 4.39 0.00 2.98 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 17 D 8.20 4.23 0.00 3.00 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 18 K 7.88 4.17 0.00 1.94 1.88 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.38 7.81 19 I 7.61 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 1.73 0.97 0.81 0.00 0.00 20 M 7.77 3.83 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 21 E 8.22 3.89 0.00 2.11 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 2.29 2.31 0.00 22 R 7.72 4.01 0.00 1.87 2.06 0.00 3.44 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 23 L 7.69 4.28 0.00 1.72 1.64 0.84 0.95 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 24 G 7.63 3.86 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 0.00 0.00 0.00 25 V 7.38 3.64 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 0.86 0.00 0.00 26 D 8.43 4.69 0.00 3.04 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 27 F 8.81 3.95 0.00 3.09 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 28 V 7.96 3.66 2.15 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 1.05 0.00 0.00 1.10 0.00 0.00 29 T 8.22 3.75 4.37 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 1.13 0.00 0.00 30 R 8.12 3.79 0.00 1.72 1.78 0.00 3.01 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 31 K 7.41 3.63 0.00 1.46 1.87 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.31 7.81 32 M 7.70 4.11 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.51 0.00 33 G 8.06 3.69 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 0.00 0.00 0.00 34 N 8.06 4.64 0.00 2.71 2.86 0.00 0.00 7.02 7.19 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 35 L 7.49 4.23 0.00 1.77 1.69 0.89 0.96 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 36 V 7.06 3.95 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 0.73 0.00 0.00 0.95 0.00 0.00 37 K 8.12 4.37 0.00 1.67 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.34 7.81 38 P 0.00 4.84 0.00 2.25 2.27 0.00 3.57 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 2.03 0.00 39 N 8.96 5.51 0.00 2.76 2.87 0.00 0.00 6.78 6.32 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 40 L 9.33 5.24 0.00 1.60 1.41 0.93 0.62 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 41 I 9.38 4.97 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.96 0.00 0.00 42 V 9.16 5.07 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.14 0.00 0.00 43 T 9.00 4.99 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 1.24 0.00 0.00 44 D 8.74 4.77 0.00 2.83 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 45 L 8.35 4.14 0.00 1.55 1.53 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.25 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 0.00 0.00 0.00 47 G 9.07 3.46 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 0.00 48 G 7.98 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 49 K 7.35 4.55 0.00 1.60 1.45 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.27 7.81 50 Y 8.18 4.90 0.00 1.91 2.50 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 0.00 0.00 0.00 0.00 51 K 8.88 4.79 0.00 1.73 1.59 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 52 M 8.89 5.23 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.61 0.00 53 R 9.25 5.09 0.00 1.86 1.79 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 54 S 9.24 5.61 0.00 3.94 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 55 E 8.79 5.12 0.00 1.99 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 2.32 0.00 56 S 8.49 4.89 0.00 3.92 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 57 T 8.74 3.84 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 1.27 0.00 0.00 58 F 8.26 4.62 0.00 2.85 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 59 K 7.25 4.13 0.00 1.86 1.52 0.00 1.04 0.00 0.00 1.35 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.98 7.81 60 T 8.39 4.89 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 61 T 8.85 4.86 4.28 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 1.21 0.00 0.00 62 E 8.11 5.18 0.00 2.12 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 2.21 2.21 0.00 *64 S 8.57 4.52 0.00 3.73 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 65 F 8.04 4.52 0.00 2.44 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 0.00 0.00 0.00 66 K 8.27 5.21 0.00 1.68 1.78 0.00 1.76 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.22 7.81 67 L 8.62 4.34 0.00 1.81 1.66 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.22 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 69 E 7.67 4.54 0.00 1.93 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 0.00 2.30 2.27 0.00 70 K 8.76 4.49 0.00 1.81 1.74 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.55 7.81 71 F 8.95 5.15 0.00 3.11 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 72 K 8.78 4.71 0.00 1.73 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 73 E 9.10 4.86 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 74 V 8.29 4.91 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 0.90 0.00 0.00 0.95 0.00 0.00 75 T 8.66 4.29 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 1.19 0.00 0.00 76 P 0.00 4.27 0.00 2.29 2.40 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 77 D 8.16 4.74 0.00 2.82 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 78 S 7.98 3.78 0.00 4.05 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 79 R 7.81 4.51 0.00 1.91 1.79 0.00 3.29 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 80 E 8.58 4.79 0.00 1.84 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 2.29 2.33 0.00 81 V 8.95 4.69 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 0.70 0.00 0.00 0.86 0.00 0.00 82 A 8.59 4.70 1.15 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 0.00 0.00 83 S 8.57 5.43 0.00 2.72 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 84 L 7.90 4.76 0.00 1.68 1.43 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.69 5.20 1.63 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.46 0.70 0.00 0.00 86 T 8.95 5.02 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 1.24 0.00 0.00 87 V 8.28 4.90 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 0.90 0.00 0.00 0.87 0.00 0.00 88 E 9.03 4.50 0.00 1.98 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 2.20 2.27 0.00 89 N 10.11 4.34 0.00 2.87 2.85 0.00 0.00 7.30 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 90 G 8.51 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 91 V 7.57 4.51 2.20 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 1.05 0.00 0.00 1.01 0.00 0.00 92 M 8.92 4.40 0.00 1.49 0.65 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 93 K 9.19 4.90 0.00 1.67 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.49 7.81 94 H 9.27 5.20 0.00 2.99 3.02 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.92 4.91 0.00 1.84 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 0.00 2.37 2.16 0.00 96 Q 8.59 4.37 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 97 D 9.01 5.12 0.00 2.65 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 98 D 8.80 4.74 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 99 K 8.66 4.17 0.00 1.88 2.17 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.34 7.81 100 T 8.07 4.40 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 1.19 0.00 0.00 101 K 8.64 4.61 0.00 1.79 1.60 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.44 7.81 102 V 8.11 4.59 1.81 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 -0.04 0.00 0.00 0.82 0.00 0.00 103 T 8.60 4.55 4.20 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 1.17 0.00 0.00 104 Y 8.92 4.84 0.00 2.85 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 0.00 105 I 8.78 5.00 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.93 0.00 0.00 106 E 9.34 5.09 0.00 1.84 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 2.21 2.27 0.00 107 R 8.96 5.15 0.00 1.36 1.73 0.00 2.78 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 108 V 8.86 4.93 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 0.74 0.00 0.00 0.93 0.00 0.00 109 V 8.18 4.68 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 0.80 0.00 0.00 0.35 0.00 0.00 110 E 8.84 4.46 0.00 2.01 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 2.20 2.28 0.00 111 G 8.36 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 0.00 112 N 8.95 4.81 0.00 2.82 2.91 0.00 0.00 6.23 7.66 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 0.00 113 E 8.41 5.27 0.00 2.12 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 2.23 2.47 0.00 114 L 8.85 4.85 0.00 0.27 0.98 -0.30 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 115 K 9.12 5.07 0.00 1.68 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 116 A 9.23 5.03 1.27 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 0.00 0.00 117 T 8.98 4.85 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 1.28 0.00 0.00 118 V 8.97 4.90 2.20 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 1.16 0.00 0.00 1.01 0.00 0.00 119 K 9.26 5.69 0.00 1.81 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.23 7.81 120 V 8.03 4.55 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 1.00 0.00 0.00 0.91 0.00 0.00 121 D 9.14 4.13 0.00 2.83 2.02 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 0.00 122 E 8.80 4.27 0.00 2.07 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 0.00 2.25 2.23 0.00 123 V 7.94 3.80 2.21 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 0.88 0.00 0.00 0.96 0.00 0.00 124 V 8.28 4.90 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 0.86 0.00 0.00 0.97 0.00 0.00 125 C 9.31 5.15 0.00 3.18 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 0.00 126 V 8.68 4.89 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 1.01 0.00 0.00 0.94 0.00 0.00 127 R 9.11 4.91 0.00 1.77 1.60 0.00 2.65 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.44 0.00 128 T 8.75 5.11 4.21 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 1.25 0.00 0.00 129 Y 9.39 5.35 0.00 2.98 3.04 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 0.00 130 S 9.08 5.52 0.00 3.94 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 0.00 131 K 8.95 3.85 0.00 1.63 1.55 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.34 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.94 0.21 7.81 132 V 8.44 4.05 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 0.75 0.00 0.00 0.94 0.00 0.00 133 A 7.24 4.04 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.