NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3770 0.0000 0.0000 62.7077 32.6703 174.7268 2 Q 4.3855 8.4666 119.0680 53.6821 30.7848 172.7888 3 I 4.4102 8.1333 126.2901 59.5758 39.9172 175.3082 4 T 4.3630 8.4198 115.8534 61.3458 69.8764 174.1267 5 L 4.6806 7.8726 118.0265 54.3072 42.3133 178.1757 6 W 4.1518 8.1575 121.1315 58.7202 29.2341 176.0615 7 Q 4.7934 7.7255 115.0841 53.1907 31.4071 175.2531 8 R 3.9673 8.4193 118.5520 56.4272 31.0615 176.4612 9 P 4.6777 0.0000 0.0000 62.2002 29.4238 174.9033 10 L 4.8503 7.6125 122.4063 55.1991 43.1344 177.7502 11 V 4.6109 9.2057 116.0393 59.7359 36.4608 174.7635 12 T 4.8386 8.3925 119.3947 63.1326 69.9508 173.9504 13 I 5.0939 8.9192 119.0660 58.8899 41.6519 174.0375 14 K 5.0471 8.8145 124.3500 54.7208 34.8566 174.6965 15 I 4.5565 9.0687 127.3315 60.2721 41.9565 174.7073 16 G 4.0169 9.7821 116.3613 46.5772 0.0000 174.4905 17 G 3.9154 8.4328 105.6690 45.2026 0.0000 174.1410 18 Q 4.6193 8.0346 119.2700 53.9830 30.9106 174.2436 19 L 5.0199 8.2227 120.7924 53.7633 43.0375 176.0511 20 K 4.7622 9.2969 122.3045 54.9400 37.2469 174.6987 21 E 5.2468 8.6851 119.8044 54.9636 31.9516 175.6230 22 A 4.7929 8.9638 123.7111 50.4753 23.5481 174.7296 23 L 4.6650 8.5388 122.5300 54.0468 43.7475 175.8197 24 L 4.4640 8.9125 127.6074 54.7159 42.2104 176.4349 25 D 4.8590 8.8672 125.6803 52.0893 41.9005 176.4488 26 T 3.9638 8.5929 115.6711 63.6728 69.0658 175.9333 27 G 3.6559 8.0731 109.2963 46.1366 0.0000 172.9019 28 A 4.5810 7.8236 123.4463 50.1501 20.6208 177.6258 29 D 4.3798 8.9427 123.2726 56.8756 42.3559 176.2421 30 D 5.4091 8.0333 116.4628 52.7386 44.9694 175.3666 31 T 4.8473 7.9801 116.6140 62.3486 70.3925 174.2665 32 V 4.8228 8.5941 126.4834 61.0192 34.6666 174.2024 33 L 5.2243 8.8996 129.8104 53.1267 45.2556 176.7371 34 E 4.5334 9.1110 120.4784 55.9685 30.7932 176.3327 35 E 3.7319 8.3925 117.8108 58.4550 29.8045 176.0732 36 M 4.3340 7.9475 120.3113 54.8227 33.3539 173.4714 37 N 4.8109 8.4681 118.2411 52.5495 40.5513 174.3170 38 L 4.5660 7.9446 121.5517 52.0537 45.6423 174.4789 39 P 4.0746 0.0000 0.0000 64.3449 31.6807 175.1405 40 G 3.7647 9.0551 110.1429 45.1268 0.0000 173.4172 *41 R 4.4564 8.2195 117.4495 55.1645 30.7567 170.5054 42 W 5.2320 7.3216 114.7043 57.4610 31.2104 174.4001 *43 K 4.7766 8.6989 122.2829 52.6777 35.2513 173.2072 44 P 5.1379 0.0000 0.0000 63.4164 32.5069 176.0627 45 K 4.6275 8.4607 122.4285 55.0366 36.6797 175.0225 46 M 5.5331 8.7332 118.6239 54.5217 35.2983 175.3780 47 I 4.5930 8.9093 114.8402 59.1760 41.5467 174.1973 48 G 3.5851 7.9530 109.6740 44.6510 0.0000 172.7914 49 G 3.8594 8.2346 108.6448 44.7256 0.0000 172.3274 50 I 3.8800 8.1896 122.8268 62.2997 38.6481 175.9454 51 G 4.0884 8.4645 115.1226 45.0977 0.0000 173.0715 52 G 3.8967 6.5652 106.2280 44.5531 0.0000 172.0724 53 F 5.4284 8.7142 121.3863 55.6774 42.2514 175.0214 54 I 4.8330 9.1465 116.7539 59.6507 41.3298 174.9445 *55 K 4.6722 8.6321 126.6809 54.9583 32.8336 177.4285 56 V 4.6977 9.0346 117.1469 58.9844 36.7140 174.4215 57 R 4.6691 8.9292 121.3147 54.6353 32.2624 175.1786 58 Q 4.9176 8.7494 125.3223 54.7924 31.0176 173.5872 59 Y 5.0727 9.0550 124.2775 56.4537 40.8400 174.9114 60 D 5.0659 8.9940 123.3785 52.8883 43.4140 175.7024 61 Q 3.4747 8.4158 116.1339 57.2174 26.4923 173.9389 62 I 4.3879 7.7887 117.5167 60.1291 39.3998 175.7613 63 L 4.9134 8.3667 127.7800 54.2940 43.4498 175.5666 64 I 4.7627 8.8676 125.4755 59.5693 41.9821 173.2950 65 E 4.9344 9.3024 129.5320 55.1766 31.2636 175.0234 66 I 4.4389 8.9077 127.1861 59.6663 39.4877 175.8141 67 C 4.2114 9.6719 129.1290 60.2497 30.4371 174.0304 68 G 3.9600 8.5079 104.4961 45.3351 0.0000 173.4288 69 H 4.7572 8.4892 118.3760 54.1126 30.0841 174.2261 70 K 4.8652 8.4702 123.8936 56.0758 33.0613 176.5999 71 V 4.6613 9.0027 116.6871 59.8917 36.7011 174.0825 72 I 4.9667 7.9346 122.3723 59.7918 40.2985 175.2273 73 G 4.0197 8.6343 112.4556 46.1780 0.0000 172.1013 74 T 4.8243 8.6583 116.8129 63.4064 69.4121 174.8897 75 V 4.4737 8.9936 125.5580 61.1061 34.8427 174.0373 76 L 5.2885 8.9192 127.6966 53.2820 44.2394 175.6160 77 V 4.7363 9.5130 122.5051 60.4910 35.0448 175.5970 78 G 3.8805 7.8512 113.8831 45.5430 0.0000 171.0794 79 P 4.7041 0.0000 0.0000 62.9819 31.2278 176.5287 80 T 4.0243 7.7328 113.4408 62.5637 67.8064 172.5594 81 P 4.4236 0.0000 0.0000 65.0128 31.7753 176.5278 82 T 4.6086 7.5503 111.2541 60.0719 70.7012 172.7177 83 N 4.6926 8.7275 125.1742 53.6914 39.8439 174.3066 84 V 4.8983 9.0960 116.8895 59.6263 36.2028 174.5697 85 I 4.4070 8.9485 126.7209 60.2055 38.7873 175.9581 86 G 4.5879 8.5327 115.2679 43.7696 0.0000 174.3300 87 R 4.0614 9.2102 118.6289 59.0390 30.2436 179.1041 88 N 4.2801 7.9435 114.6683 55.6990 37.4476 176.3716 89 L 4.3810 7.7705 117.4211 56.0652 42.3918 178.6725 90 L 3.9994 8.0158 119.5080 57.9725 41.4825 179.4296 91 T 3.8663 8.0391 109.6678 65.1642 68.3280 176.2576 92 Q 4.1056 7.8276 118.8223 57.2467 28.8401 177.3419 93 I 4.3278 7.6862 112.0656 59.9693 38.3998 175.4675 94 G 3.7592 8.2580 108.8811 46.7442 0.0000 173.2109 95 C 4.3773 8.0284 120.0155 58.3698 32.3273 172.7066 96 T 4.7379 8.1695 115.6985 59.6865 71.4089 173.0493 97 L 4.6181 8.2711 122.3646 53.8208 43.1048 176.1897 98 N 5.1099 8.5278 118.9263 51.6764 42.5055 174.5256 99 F 4.5371 8.3607 116.4615 57.3006 37.7873 174.0377 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 P 0.00 4.38 0.00 2.21 2.17 0.00 3.70 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 1.89 1.98 0.00 2 Q 8.47 4.39 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 3 I 8.13 4.41 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 1.48 0.78 0.92 0.00 0.00 4 T 8.42 4.36 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 L 7.87 4.68 0.00 1.32 1.47 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.16 4.15 0.00 3.32 3.34 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 7 Q 7.73 4.79 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 8 R 8.42 3.97 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 9 P 0.00 4.68 0.00 2.10 2.20 0.00 3.66 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 2.17 1.96 0.00 10 L 7.61 4.85 0.00 1.56 1.64 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.21 4.61 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 0.76 0.00 0.00 0.96 0.00 0.00 12 T 8.39 4.84 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 1.21 0.00 0.00 13 I 8.92 5.09 1.91 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 1.24 1.23 0.90 0.00 0.00 14 K 8.81 5.05 0.00 1.77 1.65 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 15 I 9.07 4.56 1.84 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 1.09 1.38 0.87 0.00 0.00 16 G 9.78 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 17 G 8.43 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 18 Q 8.03 4.62 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 19 L 8.22 5.02 0.00 1.51 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.30 4.76 0.00 1.58 1.62 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 21 E 8.69 5.25 0.00 1.81 1.83 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 2.20 2.27 0.00 22 A 8.96 4.79 1.16 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 0.00 0.00 23 L 8.54 4.67 0.00 1.79 1.64 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.91 4.46 0.00 1.51 1.60 0.91 0.92 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 25 D 8.87 4.86 0.00 2.70 2.60 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 0.00 0.00 0.00 26 T 8.59 3.96 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 1.20 0.00 0.00 27 G 8.07 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 28 A 7.82 4.58 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 29 D 8.94 4.38 0.00 2.63 2.72 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 30 D 8.03 5.41 0.00 2.55 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 31 T 7.98 4.85 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 1.27 0.00 0.00 32 V 8.59 4.82 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 0.89 0.00 0.00 0.91 0.00 0.00 33 L 8.90 5.22 0.00 1.53 1.46 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.11 4.53 0.00 1.74 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 0.00 2.26 2.14 0.00 35 E 8.39 3.73 0.00 1.86 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 2.28 2.37 0.00 36 M 7.95 4.33 0.00 2.03 1.89 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 2.22 2.30 0.00 37 N 8.47 4.81 0.00 2.68 2.72 0.00 0.00 6.78 7.78 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 38 L 7.94 4.57 0.00 0.33 1.03 0.26 0.83 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 39 P 0.00 4.07 0.00 2.07 2.07 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 40 G 9.06 3.76 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 0.00 *41 R 8.22 4.46 0.00 1.84 1.74 0.00 3.29 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 42 W 7.32 5.23 0.00 3.08 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 0.00 0.00 0.00 *43 K 8.70 4.78 0.00 1.38 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.25 7.81 44 P 0.00 5.14 0.00 2.04 2.21 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 45 K 8.46 4.63 0.00 1.43 1.60 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.25 1.26 7.81 46 M 8.73 5.53 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 47 I 8.91 4.59 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.89 0.00 0.00 48 G 7.95 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.23 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 50 I 8.19 3.88 1.84 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 1.33 0.72 0.89 0.00 0.00 51 G 8.46 4.09 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 0.00 0.00 0.00 52 G 6.57 3.90 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 0.00 0.00 0.00 53 F 8.71 5.43 0.00 2.80 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 54 I 9.15 4.83 1.89 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 1.07 0.87 0.92 0.00 0.00 *55 K 8.63 4.67 0.00 1.56 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.04 7.81 56 V 9.03 4.70 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 0.77 0.00 0.00 1.00 0.00 0.00 57 R 8.93 4.67 0.00 1.20 0.66 0.00 2.21 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.37 0.00 58 Q 8.75 4.92 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.06 5.07 0.00 3.05 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 60 D 8.99 5.07 0.00 2.61 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 61 Q 8.42 3.47 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 62 I 7.79 4.39 1.99 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 1.18 0.95 0.87 0.00 0.00 63 L 8.37 4.91 0.00 1.64 1.55 0.95 0.93 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 64 I 8.87 4.76 1.85 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 1.22 1.49 0.96 0.00 0.00 65 E 9.30 4.93 0.00 1.94 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 2.25 2.27 0.00 66 I 8.91 4.44 1.87 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 1.11 0.63 0.90 0.00 0.00 67 C 9.67 4.21 0.00 3.05 2.97 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 68 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 69 H 8.49 4.76 0.00 3.24 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.47 4.87 0.00 1.62 1.74 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.53 7.81 71 V 9.00 4.66 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 1.00 0.00 0.00 72 I 7.93 4.97 1.88 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 1.29 0.62 0.93 0.00 0.00 73 G 8.63 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 74 T 8.66 4.82 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 1.35 0.00 0.00 75 V 8.99 4.47 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 0.94 0.00 0.00 0.92 0.00 0.00 76 L 8.92 5.29 0.00 1.72 1.56 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.51 4.74 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 0.99 0.00 0.00 0.82 0.00 0.00 78 G 7.85 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 79 P 0.00 4.70 0.00 2.18 2.14 0.00 3.86 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 1.94 0.00 80 T 7.73 4.02 4.22 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 1.32 0.00 0.00 81 P 0.00 4.42 0.00 2.06 2.08 0.00 3.71 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 2.01 2.05 0.00 82 T 7.55 4.61 4.22 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 1.19 0.00 0.00 83 N 8.73 4.69 0.00 2.78 2.72 0.00 0.00 6.80 7.68 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 84 V 9.10 4.90 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 0.70 0.00 0.00 0.96 0.00 0.00 85 I 8.95 4.41 1.86 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 1.27 1.22 0.90 0.00 0.00 86 G 8.53 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.21 4.06 0.00 1.83 2.00 0.00 3.15 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 88 N 7.94 4.28 0.00 2.87 3.10 0.00 0.00 6.96 7.54 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 89 L 7.77 4.38 0.00 1.70 1.73 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.02 4.00 0.00 1.68 1.71 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.04 3.87 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 1.25 0.00 0.00 92 Q 7.83 4.11 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 93 I 7.69 4.33 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.53 0.93 0.00 0.00 94 G 8.26 3.76 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 0.00 95 C 8.03 4.38 0.00 2.92 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 96 T 8.17 4.74 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 1.21 0.00 0.00 97 L 8.27 4.62 0.00 1.74 1.75 0.94 0.94 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 98 N 8.53 5.11 0.00 2.67 2.67 0.00 0.00 6.77 7.45 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 99 F 8.36 4.54 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.