NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.1411 8.4104 110.3388 62.1068 68.7977 172.2555 4 A 4.3052 8.0785 128.8397 52.8650 24.6793 175.4136 5 Y 4.7036 8.8096 113.4117 57.9605 39.3929 174.4142 6 D 4.8388 7.9208 121.5202 55.0858 43.0235 178.8335 7 V 3.6436 7.7873 119.1852 65.7759 32.6913 176.2484 8 I 4.2734 7.7456 120.4239 61.2214 37.2065 175.6111 9 L 4.7627 8.7342 126.2769 55.9358 43.9867 176.4043 10 A 4.7108 7.7516 117.4435 50.6723 22.2404 173.9809 11 P 4.5040 0.0000 0.0000 62.7385 32.1261 177.3968 12 V 3.0741 7.7898 115.1246 64.2963 31.4673 175.1511 13 L 3.4524 8.0696 123.9783 54.0813 37.8472 174.0399 14 S 4.3614 6.2719 114.0893 56.6604 66.3883 175.7379 15 E 3.6126 8.2978 121.1786 59.7368 29.2400 178.9435 16 K 3.6101 7.8180 120.4149 59.6849 32.4345 178.2409 17 A 3.7414 7.3509 120.5047 55.2881 18.0812 179.3202 18 Y 2.7081 7.0392 114.6119 60.7230 37.8376 178.3001 19 A 4.0750 7.4315 119.6015 53.9856 18.7873 178.0325 20 G 3.7528 7.1220 104.0275 45.6051 0.0000 176.2728 21 F 3.9339 8.4970 119.6908 60.3574 39.2057 176.3745 22 A 4.1193 8.2700 122.6644 55.2569 18.1145 177.6931 23 E 4.4495 7.7314 114.6529 55.3204 30.8264 177.8459 24 G 4.1853 8.3977 106.0915 46.5343 0.0000 173.8083 25 K 5.4695 8.6833 122.9253 54.2506 32.5587 175.8292 26 Y 4.7575 8.6271 123.1439 56.1786 40.8734 174.7175 27 T 5.0561 8.3111 118.2131 60.3171 70.2889 172.6805 28 F 5.2122 9.3079 126.2585 55.2912 43.7266 173.8952 29 W 5.2475 9.3795 120.8429 56.5111 30.1835 176.3496 30 V 5.0711 8.9997 117.1726 59.2362 35.8915 174.7002 31 H 4.1833 9.1004 122.4596 56.3823 29.8602 174.1004 32 P 4.3443 0.0000 0.0000 65.6009 30.8405 176.9156 33 K 4.2670 7.4198 115.0165 55.9855 32.5880 176.5107 34 A 4.9367 8.4589 123.3544 51.8598 18.9189 178.4068 35 T 4.4080 8.3685 113.0350 60.6317 71.9064 176.2911 36 K 4.0143 8.3617 119.8148 59.7756 31.8903 179.8313 37 T 3.8925 7.8219 115.7281 66.4144 68.3850 176.2378 38 E 3.9052 8.5784 121.6920 59.4129 29.7277 178.8527 39 I 3.6802 7.8812 119.8939 64.9214 37.0924 177.2421 40 K 3.8782 8.1373 119.7711 58.7954 31.7724 177.7388 41 N 4.1761 8.2147 118.5450 56.1483 38.7657 177.2726 42 A 3.8751 7.3504 121.1717 55.1444 19.1540 179.7984 43 V 3.7557 7.7968 110.8244 64.2310 31.4947 178.5542 44 E 4.2471 8.5576 120.3332 58.8114 29.3366 179.6589 45 T 4.1683 7.7376 107.7731 61.6177 69.1975 175.2665 46 A 4.8551 7.9372 122.6469 53.4686 22.8351 177.4785 47 F 4.6417 8.2893 111.4106 55.9538 40.8949 175.1852 48 K 4.0684 8.0392 118.8267 57.5561 30.0063 175.0325 49 V 4.4693 7.1362 110.8163 59.6749 34.5311 174.2903 50 K 4.7443 8.8818 121.9861 54.9190 34.0119 174.8396 51 V 4.6707 8.4966 128.0509 61.9103 31.9720 175.8119 52 V 4.2966 9.1430 127.9181 62.2220 32.9934 175.8046 53 K 4.5686 7.5841 120.6253 55.4382 35.4689 174.1104 54 V 4.9320 8.3550 124.9404 61.2670 34.7174 174.1157 55 N 5.2889 9.3885 124.5491 51.6889 42.1685 173.5167 56 T 5.2870 8.1637 111.7804 60.1207 72.7589 172.8452 57 L 4.4466 8.2091 118.2949 55.3326 43.8025 174.0594 58 H 4.8083 9.0747 119.3496 56.0106 30.2304 175.6602 59 V 4.3278 9.0593 120.2423 60.4605 33.2079 173.2120 60 R 4.4266 8.2418 125.5565 55.6481 30.3863 175.8723 61 G 3.9484 8.9308 113.8524 45.5351 0.0000 173.1922 62 K 4.3407 8.7429 124.7450 56.2243 33.5218 176.0354 63 K 4.6674 8.6629 124.6423 55.6812 33.7729 176.0886 64 K 4.6009 8.0323 122.9944 55.3160 35.7055 174.8676 65 R 4.9004 8.2120 118.6275 54.8355 33.5327 174.4912 66 L 4.5308 8.7969 125.4387 54.2864 44.4646 175.9874 67 G 4.2367 8.6388 118.0240 46.5327 0.0000 173.5773 68 R 3.9903 8.5066 119.5638 56.5038 30.2228 176.3131 69 Y 4.2821 7.5308 118.4557 56.6523 37.4308 174.0672 70 L 4.7472 8.2717 127.2112 54.0871 42.4996 176.2820 71 G 4.2292 8.5161 112.1642 46.2689 0.0000 171.3493 72 K 4.8558 8.3296 118.1394 55.6294 35.2639 176.2560 73 R 4.2626 8.8764 122.0697 55.3266 31.2910 174.4895 74 P 4.4465 0.0000 0.0000 63.0411 32.0657 175.8055 75 D 4.6374 8.6422 121.6864 54.7192 42.4910 175.4444 76 R 4.8471 8.5138 120.0525 54.5237 35.0531 173.9223 77 K 5.1802 8.5150 119.7203 55.3106 35.6943 174.8085 78 K 5.3088 9.4484 126.3702 55.0553 35.7198 174.7741 79 A 5.2402 8.7567 123.7466 50.2709 22.4555 174.6429 80 I 4.7980 9.2621 122.7065 59.3736 40.7137 174.8945 81 V 4.7906 9.3090 123.0299 59.9942 34.4714 174.9529 82 Q 4.7702 9.3582 125.3095 54.5813 30.6954 175.1939 83 V 4.4925 8.8027 120.6148 60.4114 32.4118 176.4731 84 A 4.2587 9.1453 125.7482 51.3856 19.4734 175.5535 85 P 4.1456 0.0000 0.0000 64.8777 31.7260 175.0780 86 G 4.2970 9.1187 113.1176 46.0307 0.0000 173.7514 87 Q 4.2118 7.1125 116.2966 55.4473 29.2333 175.9857 88 K 4.3554 7.6520 112.5561 56.7522 34.3167 174.6863 89 I 3.7134 7.4087 124.6758 61.2278 37.6206 175.7216 90 E 4.0145 9.0677 125.5264 59.4930 29.7950 179.0165 91 A 3.9851 7.9837 120.1510 55.1749 18.4834 177.5432 92 L 4.5532 7.7455 114.0326 55.0522 42.1793 176.0662 93 E 4.3356 8.8317 119.5747 55.8349 29.7299 173.6518 94 G 3.5050 8.4346 119.5125 45.9368 0.0000 173.9118 *95 L 4.1219 7.5646 126.0729 53.5711 41.6291 178.9281 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 3 T 8.41 5.14 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 1.22 0.00 0.00 4 A 8.08 4.31 0.99 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 5 Y 8.81 4.70 0.00 2.95 2.90 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 0.00 0.00 0.00 6 D 7.92 4.84 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 7 V 7.79 3.64 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 1.05 0.00 0.00 0.92 0.00 0.00 8 I 7.75 4.27 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.22 1.08 0.00 0.00 9 L 8.73 4.76 0.00 1.84 1.82 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.75 4.71 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 11 P 0.00 4.50 0.00 2.14 2.12 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 12 V 7.79 3.07 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.56 0.00 0.00 13 L 8.07 3.45 0.00 1.84 1.86 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.27 4.36 0.00 3.83 3.70 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 0.00 0.00 0.00 15 E 8.30 3.61 0.00 2.05 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 2.37 2.46 0.00 16 K 7.82 3.61 0.00 1.67 1.69 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.42 7.81 17 A 7.35 3.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.04 2.71 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.43 4.08 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 20 G 7.12 3.75 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 0.00 0.00 0.00 21 F 8.50 3.93 0.00 2.91 2.91 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 0.00 0.00 0.00 22 A 8.27 4.12 1.28 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 0.00 0.00 23 E 7.73 4.45 0.00 1.97 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 0.00 2.28 2.21 0.00 24 G 8.40 4.19 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 0.00 25 K 8.68 5.47 0.00 1.65 1.71 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 26 Y 8.63 4.76 0.00 3.06 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 27 T 8.31 5.06 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 0.96 0.00 0.00 28 F 9.31 5.21 0.00 2.95 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 29 W 9.38 5.25 0.00 3.33 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 30 V 9.00 5.07 2.32 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 0.79 0.00 0.00 1.00 0.00 0.00 31 H 9.10 4.18 0.00 3.27 3.28 0.00 5.82 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 32 P 0.00 4.34 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 33 K 7.42 4.27 0.00 1.73 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.37 7.81 34 A 8.46 4.94 1.28 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 0.00 0.00 35 T 8.37 4.41 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 1.26 0.00 0.00 36 K 8.36 4.01 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 37 T 7.82 3.89 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 1.20 0.00 0.00 38 E 8.58 3.91 0.00 2.00 2.19 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 2.30 2.33 0.00 39 I 7.88 3.68 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 0.85 0.00 0.00 40 K 8.14 3.88 0.00 1.90 1.93 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 41 N 8.21 4.18 0.00 2.70 2.84 0.00 0.00 7.12 7.90 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 42 A 7.35 3.88 1.35 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 0.00 0.00 43 V 7.80 3.76 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.93 0.00 0.00 44 E 8.56 4.25 0.00 2.13 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 2.42 2.34 0.00 45 T 7.74 4.17 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 1.19 0.00 0.00 46 A 7.94 4.86 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 47 F 8.29 4.64 0.00 3.16 2.99 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 48 K 8.04 4.07 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 1.54 7.81 49 V 7.14 4.47 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 0.92 0.00 0.00 0.89 0.00 0.00 50 K 8.88 4.74 0.00 1.78 1.65 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.50 7.81 51 V 8.50 4.67 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 0.95 0.00 0.00 52 V 9.14 4.30 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 0.76 0.00 0.00 0.94 0.00 0.00 53 K 7.58 4.57 0.00 1.83 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 V 8.36 4.93 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 0.88 0.00 0.00 0.93 0.00 0.00 55 N 9.39 5.29 0.00 2.65 2.64 0.00 0.00 6.27 6.93 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 56 T 8.16 5.29 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 57 L 8.21 4.45 0.00 1.70 1.77 0.96 1.24 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 58 H 9.07 4.81 0.00 3.10 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.06 4.33 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 1.02 0.00 0.00 1.21 0.00 0.00 60 R 8.24 4.43 0.00 1.87 1.88 0.00 3.12 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 61 G 8.93 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 0.00 0.00 0.00 62 K 8.74 4.34 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.44 7.81 63 K 8.66 4.67 0.00 2.00 1.83 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 64 K 8.03 4.60 0.00 1.82 1.99 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 65 R 8.21 4.90 0.00 1.79 1.78 0.00 3.30 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 66 L 8.80 4.53 0.00 1.66 1.54 0.98 1.08 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 G 8.64 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 0.00 0.00 0.00 0.00 68 R 8.51 3.99 0.00 1.65 1.86 0.00 2.86 0.00 0.00 2.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 69 Y 7.53 4.28 0.00 3.27 3.02 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 70 L 8.27 4.75 0.00 1.59 1.55 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.52 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 0.00 0.00 0.00 72 K 8.33 4.86 0.00 1.70 1.74 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.52 7.81 73 R 8.88 4.26 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 74 P 0.00 4.45 0.00 2.01 2.01 0.00 3.69 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 1.88 1.93 0.00 75 D 8.64 4.64 0.00 2.69 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 76 R 8.51 4.85 0.00 1.35 1.45 0.00 2.92 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.00 77 K 8.52 5.18 0.00 1.73 1.79 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 K 9.45 5.31 0.00 1.62 1.52 0.00 0.78 0.00 0.00 0.92 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.23 7.81 79 A 8.76 5.24 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 80 I 9.26 4.80 1.81 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 1.23 1.95 0.92 0.00 0.00 81 V 9.31 4.79 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 0.75 0.00 0.00 1.21 0.00 0.00 82 Q 9.36 4.77 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 83 V 8.80 4.49 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 0.67 0.00 0.00 1.21 0.00 0.00 84 A 9.15 4.26 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 85 P 0.00 4.15 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 86 G 9.12 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 0.00 0.00 0.00 0.00 87 Q 7.11 4.21 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 88 K 7.65 4.36 0.00 1.89 1.86 0.00 1.22 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.44 7.81 89 I 7.41 3.71 0.56 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.05 0.88 0.00 0.00 90 E 9.07 4.01 0.00 2.01 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 2.40 2.25 0.00 91 A 7.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.75 4.55 0.00 1.46 1.43 0.57 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.83 4.34 0.00 1.95 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 2.45 2.35 0.00 94 G 8.43 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 0.00 0.00 0.00 *95 L 7.56 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.