NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2465 8.1233 123.5944 52.0956 21.3313 178.2459 *2 L 4.5329 7.7644 115.6715 53.9093 44.3300 176.7003 3 A 4.7465 7.6839 119.8998 51.5400 22.9850 175.7280 4 E 5.3479 8.7113 116.9304 54.8782 34.0289 175.7929 5 F 5.0681 8.6305 119.0243 55.4111 41.8804 174.1486 6 E 4.5674 8.8672 118.8424 57.1441 30.4996 176.4719 7 D 4.5959 8.5818 122.8794 53.1817 44.8643 173.9921 8 R 5.0649 8.5064 114.3122 54.7000 34.3792 174.3866 9 V 4.2644 8.5229 120.0360 62.0001 33.2864 175.7835 10 A 3.7866 10.0405 132.6780 53.2654 16.4709 177.5247 11 G 3.9663 8.3503 107.6514 46.1311 0.0000 173.6634 12 I 4.3338 7.6623 121.9935 59.0053 38.2729 173.4482 13 P 4.8914 0.0000 0.0000 63.3958 32.1702 175.1853 14 C 4.6401 8.8722 117.1165 57.6102 33.7930 171.7269 15 L 5.0082 8.6884 120.6424 53.3880 44.3240 174.9753 16 I 4.5940 8.1849 126.9648 59.6339 39.1369 174.5623 17 V 4.6717 8.5796 127.4267 61.0633 33.8608 174.3436 18 V 4.7803 8.9799 129.1439 62.3959 32.1002 176.0793 19 T 4.5457 9.1302 118.4377 61.8612 70.5576 174.3659 20 Y 4.8773 7.9230 122.6731 55.8379 42.6311 173.3477 21 W 5.2533 7.6326 135.0000 55.6750 34.0012 173.4772 22 E 4.1387 8.1196 129.2938 53.8702 30.1765 173.4675 23 P 4.8705 0.0000 0.0000 62.7871 32.7770 175.3108 24 Y 4.5004 9.1586 125.4525 57.8192 39.6795 175.1529 25 V 4.3835 8.2122 126.8563 59.9698 34.0870 173.0771 26 P 4.5382 0.0000 0.0000 62.5886 31.8355 176.1529 27 A 4.2458 8.5295 123.0992 52.1728 19.7008 176.6695 28 K 4.0107 7.8041 121.7669 55.1180 32.7908 177.2351 29 V 4.1298 8.3075 126.5176 63.3618 33.8728 175.9623 30 S 4.2270 7.8016 113.2013 58.8344 63.8043 174.5610 31 G 3.8551 8.5073 109.2634 43.8759 0.0000 171.0935 32 P 4.4724 0.0000 0.0000 61.7914 32.0603 176.1198 33 P 4.3292 0.0000 0.0000 65.6683 31.4836 178.6909 34 E 3.9101 8.1685 116.5464 58.8106 29.3552 177.0809 35 Y 4.6605 7.6309 113.9898 58.0685 38.7854 175.6620 36 C 4.6091 7.8125 118.1960 60.0102 29.3245 172.4705 37 Y 5.0292 7.7648 117.2023 55.2985 41.1539 172.4167 38 P 4.8728 0.0000 0.0000 62.2732 32.6096 175.6676 39 A 4.4018 8.5258 121.9382 52.3285 19.2685 176.5595 40 E 4.4850 8.4424 118.0539 55.4591 33.8032 177.6500 41 G 3.5614 8.5499 108.3932 47.0479 0.0000 173.9760 42 G 4.1073 9.5351 106.2368 46.2746 0.0000 172.5746 43 C 4.5534 5.7800 111.9840 56.7716 32.8678 172.6097 44 G 4.4463 7.7038 106.4043 46.2172 0.0000 171.6372 45 E 4.9543 9.1132 122.5595 54.2886 33.1768 175.7511 46 W 5.8959 8.2420 121.8127 55.2368 31.9204 173.6900 47 E 4.7908 9.5208 119.1792 54.5929 33.7139 175.0076 48 V 4.3631 8.4403 122.3293 62.8032 32.5334 175.2819 49 R 4.9451 9.0119 125.9116 54.1513 35.1109 174.6974 50 D 5.0845 8.7512 121.1759 52.4572 40.5222 177.4096 51 R 3.9598 8.4690 114.7773 58.4307 29.4118 177.3642 52 R 4.2642 8.2342 116.4285 55.8831 30.3309 177.0197 53 G 3.9226 8.4015 106.5962 45.6167 0.0000 174.3829 54 R 4.2828 8.1962 118.9705 54.4482 30.9642 174.4358 55 P 4.4684 0.0000 0.0000 63.3367 32.4344 176.7280 56 A 4.6528 7.9864 121.9656 49.3583 18.9216 175.0844 57 P 4.2063 0.0000 0.0000 64.5393 31.7019 178.6286 58 W 4.3014 8.0282 114.4314 59.1643 28.3830 177.8392 59 L 3.9975 6.5251 121.8444 57.6386 41.3407 179.1078 60 E 3.9234 7.9942 118.4073 61.4445 29.3759 181.7253 61 R 4.2429 7.9283 117.5013 58.3327 30.1735 178.3850 62 K 4.3216 7.8092 116.3687 55.7837 32.7588 177.1042 63 L 4.1030 7.2836 120.8786 54.9718 42.1513 177.3331 64 T 4.6102 8.1722 113.3129 59.9765 72.5427 175.4386 65 E 3.9634 8.6534 120.3751 59.4865 29.4122 179.4824 66 A 4.0393 8.0008 120.3117 55.3221 18.4771 179.3974 67 E 3.9821 8.2794 117.0744 59.5927 29.4353 179.7775 68 R 4.3673 8.4087 118.3847 59.3642 30.2119 178.7653 69 E 4.0157 8.4484 119.1383 59.1953 29.6784 178.8330 70 R 3.8787 8.0914 118.7563 59.6507 30.1907 178.6611 71 I 3.5746 8.1565 119.9876 64.0471 36.8557 177.9157 72 D 4.5968 8.4794 120.3453 57.8209 40.6711 178.9286 73 Q 3.9783 8.0670 119.0282 58.9236 29.0095 177.8597 74 A 3.8046 7.9262 122.0142 55.0173 18.1521 179.8206 75 V 3.3396 7.8860 116.0974 65.9188 31.7095 177.5189 76 F 3.7950 8.0677 119.1967 61.5733 39.2823 176.5784 77 D 4.5644 8.1485 117.1484 57.1340 40.3581 178.7289 78 R 3.6843 7.3958 115.1069 57.2551 29.3104 177.1832 *80 E 4.1309 7.9431 114.2531 55.3913 31.0324 176.2037 81 G 3.8711 7.3384 110.4010 45.1141 0.0000 175.2745 82 R 4.1850 8.1528 116.8944 56.3006 30.5098 170.9849 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 0 A 8.12 4.25 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 *2 L 7.76 4.53 0.00 1.61 1.80 0.95 0.72 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 3 A 7.68 4.75 1.25 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 0.00 0.00 0.00 4 E 8.71 5.35 0.00 1.70 1.66 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 2.11 1.84 0.00 5 F 8.63 5.07 0.00 3.03 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 6 E 8.87 4.57 0.00 1.78 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 2.23 1.88 0.00 7 D 8.58 4.60 0.00 2.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 5.06 0.00 1.76 1.75 0.00 3.21 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 9 V 8.52 4.26 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 1.11 0.00 0.00 0.91 0.00 0.00 10 A 10.04 3.79 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 11 G 8.35 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 12 I 7.66 4.33 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 1.11 0.00 0.00 13 P 0.00 4.89 0.00 1.97 2.01 0.00 3.76 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 2.06 2.12 0.00 14 C 8.87 4.64 0.00 3.04 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 15 L 8.69 5.01 0.00 1.78 1.45 0.87 1.39 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 16 I 8.18 4.59 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.13 0.46 0.00 0.00 17 V 8.58 4.67 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 1.06 0.00 0.00 0.91 0.00 0.00 18 V 8.98 4.78 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 1.10 0.00 0.00 1.06 0.00 0.00 19 T 9.13 4.55 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 1.28 0.00 0.00 20 Y 7.92 4.88 0.00 3.16 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 21 W 7.63 5.25 0.00 3.31 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 22 E 8.12 4.14 0.00 2.09 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 0.00 2.20 2.19 0.00 23 P 0.00 4.87 0.00 2.11 2.03 0.00 3.56 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 2.12 2.17 0.00 24 Y 9.16 4.50 0.00 3.06 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 25 V 8.21 4.38 1.94 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 0.93 0.00 0.00 0.91 0.00 0.00 26 P 0.00 4.54 0.00 2.14 2.16 0.00 3.80 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 2.02 2.04 0.00 27 A 8.53 4.25 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 28 K 7.80 4.01 0.00 0.88 0.74 0.00 1.32 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.16 7.81 29 V 8.31 4.13 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 0.91 0.00 0.00 0.90 0.00 0.00 30 S 7.80 4.23 0.00 4.00 3.82 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 31 G 8.51 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 32 P 0.00 4.47 0.00 2.40 2.06 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 33 P 0.00 4.33 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 34 E 8.17 3.91 0.00 1.55 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 2.17 2.29 0.00 35 Y 7.63 4.66 0.00 3.00 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 36 C 7.81 4.61 0.00 3.03 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 37 Y 7.76 5.03 0.00 3.02 3.03 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 38 P 0.00 4.87 0.00 2.14 2.14 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 39 A 8.53 4.40 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 40 E 8.44 4.49 0.00 1.79 1.74 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 2.18 2.19 0.00 41 G 8.55 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.54 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 43 C 5.78 4.55 0.00 3.10 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 44 G 7.70 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 45 E 9.11 4.95 0.00 2.12 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 2.28 0.00 46 W 8.24 5.90 0.00 3.49 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 47 E 9.52 4.79 0.00 1.90 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 0.00 2.14 2.23 0.00 48 V 8.44 4.36 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 0.64 0.00 0.00 1.12 0.00 0.00 49 R 9.01 4.95 0.00 1.64 1.74 0.00 3.61 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 50 D 8.75 5.08 0.00 3.03 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 51 R 8.47 3.96 0.00 1.96 2.13 0.00 3.05 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 52 R 8.23 4.26 0.00 1.97 2.01 0.00 3.27 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 53 G 8.40 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 54 R 8.20 4.28 0.00 2.26 1.89 0.00 3.18 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 55 P 0.00 4.47 0.00 2.06 2.00 0.00 3.65 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 2.05 2.10 0.00 56 A 7.99 4.65 0.77 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 0.00 0.00 57 P 0.00 4.21 0.00 2.24 2.13 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 58 W 8.03 4.30 0.00 3.67 3.26 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 0.00 59 L 6.53 4.00 0.00 1.11 1.37 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.99 3.92 0.00 1.97 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 2.25 2.24 0.00 61 R 7.93 4.24 0.00 1.83 2.06 0.00 3.16 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 62 K 7.81 4.32 0.00 1.89 1.88 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.76 7.81 63 L 7.28 4.10 0.00 1.81 1.68 0.99 1.03 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 64 T 8.17 4.61 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 1.24 0.00 0.00 65 E 8.65 3.96 0.00 2.02 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 0.00 2.42 2.35 0.00 66 A 8.00 4.04 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 67 E 8.28 3.98 0.00 2.30 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 2.36 2.52 0.00 68 R 8.41 4.37 0.00 2.12 2.21 0.00 3.34 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 69 E 8.45 4.02 0.00 2.11 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 0.00 2.33 2.36 0.00 70 R 8.09 3.88 0.00 1.94 2.05 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 71 I 8.16 3.57 1.37 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.35 -0.52 0.00 0.00 72 D 8.48 4.60 0.00 3.05 2.94 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 73 Q 8.07 3.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 74 A 7.93 3.80 1.30 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 75 V 7.89 3.34 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 0.79 0.00 0.00 0.82 0.00 0.00 76 F 8.07 3.80 0.00 3.28 3.20 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 0.00 77 D 8.15 4.56 0.00 2.66 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 78 R 7.40 3.68 0.00 1.10 1.52 0.00 2.93 0.00 0.00 2.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 *80 E 7.94 4.13 0.00 1.66 1.77 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 1.65 1.47 0.00 81 G 7.34 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 82 R 8.15 4.18 0.00 1.79 1.63 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.