NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2734 8.3344 115.3984 57.5797 64.3099 173.3578 5 L 3.9643 8.1718 125.8301 53.2905 42.5859 174.8094 6 K 4.5202 9.2806 120.4578 56.8352 35.4259 175.9473 7 K 4.4066 8.7211 117.6557 53.2920 32.7697 176.1382 8 G 3.9606 7.2697 109.3026 44.6059 0.0000 172.1192 9 V 4.3917 8.3716 121.0034 64.5220 32.3354 176.2982 10 F 4.0350 8.2104 110.8067 57.1173 36.8980 175.8772 11 V 3.5836 7.5778 126.2155 61.8196 31.3512 175.2349 12 D 4.3784 8.4882 124.5337 54.0114 40.9855 176.9993 13 D 4.3678 8.5323 121.6857 58.1192 41.3801 178.5386 14 H 4.1157 8.4216 115.1802 59.3727 28.1752 176.3424 15 L 3.9488 7.4987 123.3125 58.6448 41.6880 178.4905 16 L 3.9594 8.0631 118.3993 57.0665 41.6877 179.6538 17 E 3.7897 8.2374 118.6082 59.6500 30.3743 178.7109 18 K 4.1583 8.3896 120.9594 56.9377 31.7002 178.8544 19 V 3.3912 7.1128 120.6544 66.1316 32.4531 177.6597 20 L 4.0984 8.7677 120.0309 58.2490 41.6449 179.6123 21 E 3.9859 7.8168 116.4417 59.4289 29.4634 178.9857 22 L 5.0234 7.7221 120.6981 56.9083 41.5873 178.9207 23 N 4.8202 8.2900 116.5153 54.5454 38.4739 174.3301 24 A 4.0865 7.4645 122.5994 53.4408 17.3362 177.5325 25 K 3.9407 8.6908 120.6615 56.0504 29.8533 175.8349 26 G 3.7573 7.5462 110.1227 45.2902 0.0000 173.7618 27 E 4.3745 9.0474 126.8505 55.2280 32.2862 178.3687 28 K 4.0188 9.1391 119.3929 58.5952 30.8852 176.8648 29 R 4.3342 9.1306 126.2078 57.5271 33.2009 174.7033 30 L 3.8230 8.1666 126.8747 54.7295 41.3579 175.6468 31 I 4.4043 7.7277 125.6368 58.3604 39.8967 174.6735 32 K 4.2952 8.5169 128.3189 56.8000 32.9952 175.2666 33 T 4.2465 7.2433 113.7174 62.1956 70.4599 173.4934 34 W 5.1492 8.9505 119.8046 57.0447 32.4145 176.1234 35 S 4.9132 8.3970 115.3665 57.2980 61.9573 176.0092 36 R 4.0773 7.9910 116.9253 59.6105 29.7052 177.1520 37 R 4.6021 7.9593 114.7288 56.6627 30.3173 175.9933 38 S 4.8365 7.5289 115.9367 58.1838 65.0765 172.7898 39 T 4.6166 7.8035 114.6485 62.6410 72.2406 174.1288 40 I 4.2307 7.3114 124.6028 59.2345 36.1874 175.9916 41 V 3.6640 7.5903 122.7687 61.6132 32.0769 173.7910 42 P 4.2234 0.0000 0.0000 63.6202 31.5375 176.5325 43 E 4.0519 8.7886 118.3586 56.8516 29.1751 175.1805 44 M 4.1986 7.7832 116.9901 57.7554 32.3879 176.5460 45 V 3.3476 7.2770 110.4076 62.1289 32.1880 174.0907 46 G 4.0959 8.2827 113.6929 46.0435 0.0000 173.6171 47 H 4.3409 7.7724 118.0360 55.3761 28.4955 175.2018 48 T 4.4555 8.4000 115.5344 61.3145 70.5525 173.6744 49 I 4.7450 8.3039 123.5055 59.5541 40.8381 175.1396 50 A 4.7684 8.3867 129.2131 50.7870 16.8835 176.7158 51 V 3.6847 7.6775 121.3641 62.3846 33.4200 174.2417 52 Y 4.8927 7.9359 129.9633 56.1991 39.2946 175.2629 53 N 4.5713 8.3504 124.0683 53.1685 37.5727 175.1341 54 G 4.0125 6.7952 107.7287 45.5222 0.0000 174.6053 55 K 4.1579 7.5275 117.8813 57.2271 33.7456 175.0779 56 Q 4.5820 8.4385 114.9824 55.2515 32.6024 172.2081 57 H 5.0919 8.6094 116.3327 55.5026 29.5765 175.6097 58 V 4.2198 8.7543 118.3903 58.8095 32.5624 175.7623 59 P 4.7352 0.0000 0.0000 62.9929 28.6436 174.4531 60 V 4.0633 8.2580 125.9338 61.5441 32.9831 176.2760 61 Y 4.6149 8.6456 126.9471 57.3310 40.1478 174.1759 62 I 4.1789 6.7929 122.8843 59.2622 40.3834 174.2395 63 T 4.7776 7.8413 121.7032 59.4441 70.3745 172.5836 64 E 3.6897 8.7161 118.7793 59.5195 29.4856 179.5184 65 N 4.0065 7.7639 118.3215 54.9293 39.0668 175.7857 66 M 4.5099 7.4285 124.1185 54.4922 29.9399 175.1490 67 V 4.2610 7.8330 116.1743 61.4588 34.8506 177.8168 68 G 3.8314 8.4607 116.2069 49.1241 0.0000 173.4465 69 H 4.3117 7.6003 115.7258 56.0834 28.9922 174.6869 70 K 4.6852 8.0561 120.4829 54.8042 34.3387 177.5593 71 L 4.0461 8.4781 118.8136 57.7505 41.8556 179.1536 72 G 3.7607 8.1320 106.9807 47.7820 0.0000 173.3933 73 E 4.5267 7.4929 120.0236 56.2970 29.6230 176.7483 74 F 4.7649 7.9985 111.2778 56.7907 42.3422 175.0020 75 A 4.5758 7.7367 123.7688 48.6589 19.2311 173.9779 76 P 4.3784 0.0000 0.0000 63.9953 31.6236 176.9766 77 T 4.4726 8.3441 107.1618 61.3959 70.1441 173.6254 78 R 4.7705 7.7101 119.5236 54.7481 34.1214 174.1592 79 T 4.5695 7.9689 114.7223 63.0584 72.0084 173.2122 80 Y 3.5166 8.6036 122.0135 58.7883 36.3319 168.6577 81 R 3.9461 7.4804 119.0225 55.9096 31.7159 177.7787 *82 G 3.7274 8.4289 106.7677 46.3244 0.0000 172.7749 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 4 S 8.33 4.27 0.00 3.97 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 5 L 8.17 3.96 0.00 1.51 1.64 1.01 0.19 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 6 K 9.28 4.52 0.00 1.84 1.84 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.35 7.81 7 K 8.72 4.41 0.00 1.70 1.76 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.47 7.81 8 G 7.27 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 9 V 8.37 4.39 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 0.92 0.00 0.00 0.95 0.00 0.00 10 F 8.21 4.03 0.00 3.33 3.47 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 11 V 7.58 3.58 1.85 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 0.62 0.00 0.00 0.85 0.00 0.00 12 D 8.49 4.38 0.00 2.62 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 13 D 8.53 4.37 0.00 2.77 2.69 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 14 H 8.42 4.12 0.00 3.39 3.60 0.00 5.46 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 15 L 7.50 3.95 0.00 1.53 1.68 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.06 3.96 0.00 1.74 1.58 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.24 3.79 0.00 2.03 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 0.00 2.31 2.38 0.00 18 K 8.39 4.16 0.00 2.03 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 19 V 7.11 3.39 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 0.82 0.00 0.00 0.95 0.00 0.00 20 L 8.77 4.10 0.00 1.64 1.72 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.82 3.99 0.00 2.32 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 0.00 2.63 2.35 0.00 22 L 7.72 5.02 0.00 1.89 1.77 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.29 4.82 0.00 2.87 2.86 0.00 0.00 6.72 7.44 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 24 A 7.46 4.09 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 25 K 8.69 3.94 0.00 1.92 2.11 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 G 7.55 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 27 E 9.05 4.37 0.00 2.09 1.97 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 2.34 2.34 0.00 28 K 9.14 4.02 0.00 1.76 1.57 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 R 9.13 4.33 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 30 L 8.17 3.82 0.00 1.62 1.70 0.92 0.88 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 31 I 7.73 4.40 1.82 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 1.19 1.30 0.92 0.00 0.00 32 K 8.52 4.30 0.00 1.58 1.26 0.00 1.83 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.33 7.81 33 T 7.24 4.25 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 1.20 0.00 0.00 34 W 8.95 5.15 0.00 3.42 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 35 S 8.40 4.91 0.00 4.14 4.18 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 36 R 7.99 4.08 0.00 2.08 2.20 0.00 3.30 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 37 R 7.96 4.60 0.00 2.07 2.16 0.00 3.18 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 38 S 7.53 4.84 0.00 3.75 3.83 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 0.00 0.00 0.00 39 T 7.80 4.62 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 1.20 0.00 0.00 40 I 7.31 4.23 2.03 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 1.16 0.59 0.86 0.00 0.00 41 V 7.59 3.66 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 0.77 0.00 0.00 0.87 0.00 0.00 42 P 0.00 4.22 0.00 2.20 1.99 0.00 3.66 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 2.11 2.08 0.00 43 E 8.79 4.05 0.00 2.07 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 2.14 2.29 0.00 44 M 7.78 4.20 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 45 V 7.28 3.35 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 46 G 8.28 4.10 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 0.00 0.00 0.00 47 H 7.77 4.34 0.00 3.34 3.20 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.40 4.46 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 1.47 0.00 0.00 49 I 8.30 4.74 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.47 0.92 0.00 0.00 50 A 8.39 4.77 1.09 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 51 V 7.68 3.68 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 1.02 0.00 0.00 0.94 0.00 0.00 52 Y 7.94 4.89 0.00 2.83 2.82 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 53 N 8.35 4.57 0.00 2.89 2.82 0.00 0.00 7.27 7.10 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 54 G 6.80 4.01 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 0.00 0.00 0.00 55 K 7.53 4.16 0.00 1.58 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.35 7.81 56 Q 8.44 4.58 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 57 H 8.61 5.09 0.00 3.05 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.75 4.22 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 0.66 0.00 0.00 1.00 0.00 0.00 59 P 0.00 4.74 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 60 V 8.26 4.06 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 0.74 0.00 0.00 0.75 0.00 0.00 61 Y 8.65 4.61 0.00 2.86 2.86 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 62 I 6.79 4.18 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.67 0.00 0.00 63 T 7.84 4.78 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 1.18 0.00 0.00 64 E 8.72 3.69 0.00 2.11 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 2.35 0.00 65 N 7.76 4.01 0.00 2.93 2.98 0.00 0.00 6.01 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 66 M 7.43 4.51 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 67 V 7.83 4.26 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 0.96 0.00 0.00 1.00 0.00 0.00 68 G 8.46 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.60 4.31 0.00 3.47 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.06 4.69 0.00 1.83 2.05 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.70 7.81 71 L 8.48 4.05 0.00 1.69 1.78 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.13 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 73 E 7.49 4.53 0.00 1.78 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 1.89 2.11 0.00 74 F 8.00 4.76 0.00 3.18 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 75 A 7.74 4.58 1.23 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 76 P 0.00 4.38 0.00 2.18 2.10 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 77 T 8.34 4.47 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 1.32 0.00 0.00 78 R 7.71 4.77 0.00 1.76 1.84 0.00 3.14 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 79 T 7.97 4.57 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 1.26 0.00 0.00 80 Y 8.60 3.52 0.00 3.00 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 81 R 7.48 3.95 0.00 1.76 1.83 0.00 3.43 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 *82 G 8.43 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.