NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8015 8.3549 109.7380 45.5194 0.0000 174.9818 *2 T 4.0732 8.3782 120.9951 63.0894 69.6766 173.2153 3 V 4.1106 8.2641 125.5829 62.0190 33.0233 175.1268 4 A 4.6028 8.5805 128.9504 51.6645 18.9472 177.2462 5 A 4.2775 8.4628 123.5108 52.1789 19.4962 177.0706 6 K 4.7067 9.2018 120.4120 54.8267 34.5952 175.8891 7 S 4.4998 8.1374 117.1776 56.3191 66.3367 172.8266 8 E 4.3599 8.4125 122.2683 54.4653 32.7162 174.3938 9 I 4.3300 8.2790 128.2759 61.0523 36.8483 175.6671 10 Q 4.2369 8.9784 128.2187 58.0336 29.5997 177.1589 11 I 4.6995 7.4604 118.1478 59.7124 41.9358 174.3683 12 D 5.0177 8.5750 125.7774 53.6763 43.8695 173.6767 13 N 4.9391 9.1300 123.8772 51.8293 40.1436 174.3752 14 D 4.6053 8.7036 116.3933 55.4278 39.9445 176.4890 15 E 4.5347 8.8102 119.9672 57.2488 31.3726 175.8180 16 V 5.0328 7.4727 114.8753 60.5101 35.3589 173.0991 17 R 4.9939 9.0902 122.5739 54.5897 33.3602 173.9933 18 V 4.8834 8.9153 126.4001 61.5105 34.1211 174.1173 19 T 4.8738 8.8509 124.9250 61.5904 71.7151 172.7684 20 E 4.5776 9.0111 128.2932 55.1734 31.1943 174.7464 21 W 4.8897 8.8596 127.4880 54.8868 31.7493 175.2051 22 R 4.9308 9.1639 123.5776 54.3990 33.1232 174.4819 23 L 5.0136 9.0551 125.1779 52.1913 43.7301 174.7114 24 P 4.7558 0.0000 0.0000 61.3617 32.9047 174.5380 25 P 4.2201 0.0000 0.0000 64.5661 31.8395 176.9284 26 G 3.8680 9.4102 110.7648 45.8747 0.0000 172.9258 27 S 5.7240 7.8816 114.0450 56.1966 66.2877 172.5981 28 A 5.1672 8.0644 120.0319 50.8821 21.7940 177.4622 29 T 3.8983 8.8291 111.7211 62.7088 69.4772 175.8710 30 G 4.1575 8.1994 107.5548 45.2650 0.0000 172.6008 31 H 4.4514 8.5466 120.7038 56.6520 30.5687 173.9820 32 H 5.1135 8.8928 120.0027 54.6692 32.3175 172.0694 33 T 5.0485 8.4287 108.6877 60.3158 71.7160 173.0178 34 H 4.6678 9.0417 120.6251 53.8729 30.7454 175.5025 35 G 4.2243 8.5149 112.7944 46.5091 0.0000 172.9175 *37 D 5.0095 8.1052 118.8251 54.3582 42.9919 174.4736 38 Y 5.3213 8.4387 118.2711 56.2504 42.3950 173.3241 39 V 4.7262 9.0505 119.1820 61.0512 35.0499 174.0312 40 V 4.6858 8.2373 127.6125 61.2272 33.6046 174.5278 41 V 4.2368 8.8284 128.3299 60.6025 33.4159 173.4065 42 P 4.9994 0.0000 0.0000 62.0223 33.2368 175.0525 *44 A 4.5075 8.2120 120.4267 52.1178 19.5690 176.8118 45 D 4.6697 8.8135 120.1690 54.9426 41.9285 175.8502 46 G 4.1508 8.4900 108.0790 46.0851 0.0000 171.5008 47 E 5.6210 8.4585 118.1636 53.4687 33.8897 175.8951 *49 T 4.3228 8.1980 116.2854 63.7024 70.5018 172.9826 50 I 4.7614 8.7663 127.2890 59.4661 40.2311 174.6043 51 V 4.6410 8.8889 127.8290 61.0396 33.0274 175.5852 52 A 4.5535 8.8255 131.4681 50.8603 19.1492 176.2091 53 P 4.2365 0.0000 0.0000 65.5795 31.3709 177.5115 54 D 4.5270 8.0594 115.0336 53.3826 39.6215 177.1826 55 G 3.9816 8.3605 109.8295 45.6550 0.0000 174.3919 56 T 4.1881 8.2113 110.3804 61.5354 69.6111 173.5461 57 R 5.3120 8.2220 120.9406 54.6602 33.8145 174.6898 58 S 4.6533 8.8398 115.4000 56.9051 67.3792 172.7007 59 L 4.7746 8.3274 121.8359 52.4758 42.8786 174.7698 60 A 3.9514 8.3449 126.9843 52.1189 19.7020 176.2464 61 Q 4.6762 8.5700 122.1471 54.6325 29.0744 174.7657 62 L 4.4440 8.6621 125.1036 53.7677 43.5011 175.8318 63 K 4.9529 8.5433 124.4482 54.4403 34.6907 175.1861 64 T 4.0847 9.2191 124.0412 65.6227 68.7625 174.9768 65 G 3.9154 9.0631 114.1977 45.8676 0.0000 174.0802 66 R 4.3963 7.8645 119.8198 54.4415 29.1880 176.2620 67 S 5.2384 8.4551 117.3112 57.9344 64.4107 172.8938 68 Y 4.9975 7.8437 117.0831 55.9205 41.3033 173.1389 69 A 5.1100 8.6143 121.7257 50.6096 21.5131 176.3043 70 R 4.5191 8.4881 118.3876 54.3885 34.9918 174.3898 71 K 4.9662 8.2771 119.6063 54.3867 34.7350 175.7370 72 A 4.1063 9.0455 125.5485 53.9121 18.2282 177.4883 73 G 3.9501 9.1719 109.7416 45.5053 0.0000 174.8865 74 V 3.7234 7.7529 121.3647 63.4841 32.5984 174.9430 75 Q 4.9666 8.3178 125.8131 54.5635 31.7200 174.0914 76 H 4.7976 8.5650 117.8855 54.9583 32.6193 171.9117 77 D 5.2268 8.6320 119.2063 52.5346 43.6646 174.9127 78 V 4.8307 8.2642 124.7967 61.2442 34.0550 174.5321 79 R 5.0987 9.1495 125.7502 54.5046 34.6404 174.5700 80 N 4.7819 9.1091 120.0358 52.2726 40.3310 174.2610 81 E 4.4802 8.7765 124.5963 55.9796 30.0282 176.4416 82 S 4.6271 8.1963 115.5244 57.3547 64.8197 173.8871 83 T 4.2567 8.3161 108.3115 61.8763 69.2246 174.1278 84 A 4.8420 7.4008 123.9013 49.6602 21.3630 176.1458 85 E 4.1690 8.9092 122.2415 56.9897 30.5508 176.0065 86 I 4.6048 8.7065 127.3007 59.9171 39.5165 174.9185 87 V 5.1030 8.4211 125.7213 61.2825 34.4407 174.1476 88 F 5.2497 8.7126 121.4104 55.8211 41.7800 172.9410 89 L 5.1522 9.0807 120.5869 53.4386 44.0270 175.0519 90 E 5.2714 9.5209 124.0348 54.5703 32.5649 174.4842 91 I 4.8695 9.2210 128.3218 59.9151 39.5762 174.1763 92 E 5.1615 9.3777 127.9281 54.6783 31.7711 175.2700 93 L 4.9722 8.5766 124.2694 53.5267 43.0832 176.5652 94 K 4.6167 8.6003 122.6853 54.9436 33.9519 176.4148 95 A 4.2453 8.3938 124.9211 52.4498 19.5894 178.1010 96 G 3.8885 8.8950 108.4209 45.7570 0.0000 174.0915 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 G 8.35 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 8.38 4.07 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 1.23 0.00 0.00 3 V 8.26 4.11 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 0.94 0.00 0.00 0.95 0.00 0.00 4 A 8.58 4.60 1.26 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 0.00 0.00 5 A 8.46 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.20 4.71 0.00 1.73 1.63 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 7 S 8.14 4.50 0.00 2.72 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 8 E 8.41 4.36 0.00 1.85 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 0.00 2.07 2.16 0.00 9 I 8.28 4.33 1.78 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 1.22 0.48 0.88 0.00 0.00 10 Q 8.98 4.24 0.00 1.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 11 I 7.46 4.70 1.86 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 1.22 0.79 0.91 0.00 0.00 12 D 8.58 5.02 0.00 2.59 2.49 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 0.00 13 N 9.13 4.94 0.00 2.92 2.89 0.00 0.00 6.31 8.90 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 14 D 8.70 4.61 0.00 2.81 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 15 E 8.81 4.53 0.00 2.08 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 2.24 2.36 0.00 16 V 7.47 5.03 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 0.73 0.00 0.00 1.00 0.00 0.00 17 R 9.09 4.99 0.00 1.99 1.79 0.00 3.05 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 18 V 8.92 4.88 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 1.01 0.00 0.00 0.95 0.00 0.00 19 T 8.85 4.87 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 0.45 0.00 0.00 20 E 9.01 4.58 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 21 W 8.86 4.89 0.00 1.78 2.47 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 0.00 0.00 0.00 0.00 22 R 9.16 4.93 0.00 1.65 1.94 0.00 3.02 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 23 L 9.06 5.01 0.00 1.69 1.66 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.76 0.00 2.09 1.99 0.00 3.66 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 2.13 2.14 0.00 25 P 0.00 4.22 0.00 2.05 2.19 0.00 3.75 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 2.19 0.00 26 G 9.41 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 27 S 7.88 5.72 0.00 4.00 4.05 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 28 A 8.06 5.17 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 29 T 8.83 3.90 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 0.87 0.00 0.00 30 G 8.20 4.16 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 0.00 31 H 8.55 4.45 0.00 3.19 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.89 5.11 0.00 3.12 3.30 0.00 5.27 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.43 5.05 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 34 H 9.04 4.67 0.00 3.30 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.51 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 0.00 0.00 0.00 0.00 *37 D 8.11 5.01 0.00 2.69 2.65 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 38 Y 8.44 5.32 0.00 3.22 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 39 V 9.05 4.73 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 0.88 0.00 0.00 0.92 0.00 0.00 40 V 8.24 4.69 0.67 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 0.54 0.00 0.00 0.84 0.00 0.00 41 V 8.83 4.24 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 1.04 0.00 0.00 0.94 0.00 0.00 42 P 0.00 5.00 0.00 2.35 2.09 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 *44 A 8.21 4.51 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 45 D 8.81 4.67 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.49 4.15 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 0.00 47 E 8.46 5.62 0.00 1.82 1.82 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 2.31 2.15 0.00 *49 T 8.20 4.32 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 1.20 0.00 0.00 50 I 8.77 4.76 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.66 0.91 0.00 0.00 51 V 8.89 4.64 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 0.95 0.00 0.00 0.93 0.00 0.00 52 A 8.83 4.55 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 53 P 0.00 4.24 0.00 2.06 2.16 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 54 D 8.06 4.53 0.00 2.78 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 55 G 8.36 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 56 T 8.21 4.19 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 1.31 0.00 0.00 57 R 8.22 5.31 0.00 1.66 1.82 0.00 3.15 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 58 S 8.84 4.65 0.00 3.82 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 59 L 8.33 4.77 0.00 1.59 1.57 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.34 3.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.68 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 62 L 8.66 4.44 0.00 1.67 1.65 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.54 4.95 0.00 1.86 1.66 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 64 T 9.22 4.08 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 G 9.06 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 66 R 7.86 4.40 0.00 2.03 1.98 0.00 3.36 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 67 S 8.46 5.24 0.00 3.91 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 68 Y 7.84 5.00 0.00 2.97 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 69 A 8.61 5.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.52 0.00 0.67 1.18 0.00 3.20 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 71 K 8.28 4.97 0.00 1.64 1.70 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.34 7.81 72 A 9.05 4.11 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 73 G 9.17 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 74 V 7.75 3.72 2.18 0.00 0.00 0.00 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 0.98 0.00 0.00 75 Q 8.32 4.97 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 76 H 8.56 4.80 0.00 3.09 3.28 0.00 5.25 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.63 5.23 0.00 2.85 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 78 V 8.26 4.83 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 1.00 0.00 0.00 0.58 0.00 0.00 79 R 9.15 5.10 0.00 1.62 1.86 0.00 3.29 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 80 N 9.11 4.78 0.00 2.78 2.88 0.00 0.00 7.44 8.09 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 81 E 8.78 4.48 0.00 1.99 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 2.24 2.22 0.00 82 S 8.20 4.63 0.00 3.98 3.91 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 83 T 8.32 4.26 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 1.22 0.00 0.00 84 A 7.40 4.84 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 85 E 8.91 4.17 0.00 2.02 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 2.33 2.39 0.00 86 I 8.71 4.60 2.00 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 1.20 0.70 1.20 0.00 0.00 87 V 8.42 5.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 88 F 8.71 5.25 0.00 3.32 3.11 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 89 L 9.08 5.15 0.00 1.73 1.67 0.93 1.08 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 90 E 9.52 5.27 0.00 2.42 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 2.21 2.50 0.00 91 I 9.22 4.87 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.95 0.00 0.00 92 E 9.38 5.16 0.00 1.92 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 2.29 2.33 0.00 93 L 8.58 4.97 0.00 1.58 1.62 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.60 4.62 0.00 1.82 1.74 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 95 A 8.39 4.25 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 96 G 8.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.