NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2631 8.3344 116.7769 57.9989 64.5112 172.7829 5 L 3.5499 7.9220 122.5342 53.4510 41.5025 175.2061 6 K 4.1627 8.7826 126.4447 58.2251 34.7292 176.5700 7 K 4.5104 8.6221 119.0729 53.0740 31.9445 174.3934 8 G 3.7983 6.8020 106.0523 44.2271 0.0000 171.0945 9 V 4.3193 8.0363 120.9988 61.2790 32.9310 176.0549 10 F 4.2101 9.5001 122.5214 57.8415 37.7293 174.8386 11 V 3.3559 8.5407 122.9713 61.7287 30.3087 175.3919 12 D 4.4144 8.2622 124.8352 55.1563 41.4325 177.4005 13 D 4.4517 8.7228 122.6087 57.5818 41.1547 178.2704 14 H 4.4438 8.2444 109.7835 56.8092 28.1953 175.2202 15 L 4.4421 7.9276 119.9442 56.8520 43.0674 178.8848 16 L 4.2910 7.6586 117.9656 57.5484 41.7618 178.6899 17 E 4.1744 8.0577 116.8134 57.4599 29.3756 177.1443 18 K 4.6282 8.2178 114.8204 57.9288 35.8375 175.6935 19 V 4.0766 7.9147 116.9338 65.1862 32.5379 177.7223 20 L 4.0843 7.5395 118.3310 57.6382 41.2256 179.1726 21 E 3.9568 8.0788 117.2278 59.3058 29.4993 178.4395 22 L 4.0687 7.5256 118.8094 56.5771 42.1920 177.5290 23 N 4.7499 8.4369 116.3869 54.3358 39.3321 173.7852 24 A 4.4011 7.2219 122.6509 53.4456 17.3223 176.8392 25 K 4.0357 9.2322 118.2466 56.4512 30.4468 176.9701 26 G 4.0241 7.7465 107.6684 45.8965 0.0000 173.8188 27 E 4.4673 7.5689 117.0023 55.8560 30.5614 178.2239 28 K 4.2851 8.0791 116.9119 57.1530 31.3109 178.6445 29 R 4.3099 8.4452 124.9376 57.0262 32.5927 173.7584 30 L 3.8281 8.0764 120.8954 56.0765 42.0376 176.6461 31 I 4.5051 7.7447 126.6899 59.8679 39.2761 173.4081 32 K 4.4573 8.1928 125.9662 56.3795 33.1275 175.4164 33 T 4.5793 7.4090 116.0267 61.7847 70.5250 172.8713 34 W 4.6892 8.9429 120.9776 56.3809 31.8681 177.2726 35 S 4.6089 7.9262 115.9271 57.2160 61.3970 175.8961 36 R 4.0773 8.1546 117.8085 59.0672 29.6090 176.1748 37 R 4.5779 7.5469 116.0390 53.4008 28.6589 173.8378 38 S 3.2240 7.5814 117.0457 57.8196 64.2852 175.1954 39 T 4.0760 7.5451 122.2958 63.6045 69.2039 174.1250 40 I 3.6676 7.9125 125.1191 61.9194 37.9773 175.9606 41 V 4.0772 8.3370 127.3587 60.6566 32.3486 173.2261 42 P 4.3925 0.0000 0.0000 64.4123 32.0026 175.4843 43 E 4.2237 9.0328 121.8047 56.8477 29.3837 175.8984 44 M 4.4206 7.9256 115.8774 56.4125 31.9066 176.5986 45 V 3.6535 7.3610 113.0701 62.3506 32.4330 176.2952 46 G 4.1362 8.2241 114.8719 46.8694 0.0000 174.0324 47 H 4.0022 7.2015 119.3419 55.9149 27.7743 175.8209 48 T 3.6212 7.8213 121.9943 62.9658 67.0858 174.7362 49 I 3.8145 7.9759 127.0404 60.8385 38.4301 175.0472 50 A 5.5954 8.1512 124.9442 48.6236 18.4634 175.1368 51 V 3.5405 7.7033 123.2925 62.4124 33.0346 174.2798 52 Y 5.4392 9.7925 122.5340 56.4554 38.9054 176.0750 53 N 5.0609 9.5045 127.8379 52.4453 36.0810 174.5532 54 G 4.1457 6.6831 109.5871 46.0237 0.0000 174.1880 55 K 3.9952 6.7306 120.3539 56.6277 32.8748 178.4958 56 Q 4.4288 6.9397 116.8592 55.1903 33.0142 172.9915 57 H 5.0725 8.5904 116.8849 54.9359 29.6749 175.8567 58 V 3.7890 8.6842 119.2897 59.9718 32.3286 175.5394 59 P 4.8225 0.0000 0.0000 61.9625 28.9579 176.7020 60 V 3.7935 7.4599 120.6057 62.6505 32.3477 177.9276 61 Y 4.2681 8.3199 129.2470 58.1569 40.7678 173.8349 62 I 3.9104 8.2082 112.5739 60.9027 41.3605 174.0466 63 T 4.9763 8.3493 123.7505 61.0190 69.8461 171.8537 64 E 4.4590 8.7708 115.1943 57.9798 31.0957 177.6848 65 N 4.3497 8.2186 115.7590 55.0208 38.8529 174.4075 66 M 4.6678 7.3079 116.4842 53.8731 32.1785 174.6536 67 V 4.5205 8.2304 122.8144 64.0512 37.5923 176.2488 68 G 3.8441 8.0950 107.7811 47.6900 0.0000 172.9263 69 H 5.0370 8.0056 117.0349 54.3079 30.1432 174.2532 70 K 4.7713 8.4917 120.2765 54.6665 34.5189 177.8566 71 L 4.0569 8.6778 122.9494 58.1794 42.1055 179.7601 72 G 3.8135 8.3220 105.0159 48.0874 0.0000 175.0946 73 E 3.7753 8.4987 121.1617 59.1557 29.1632 178.7122 74 F 4.9172 7.6949 114.2343 56.3358 39.5713 175.9194 75 A 4.5435 8.5782 123.8660 48.9546 19.3183 174.8678 76 P 4.4595 0.0000 0.0000 64.0342 31.8054 176.6925 77 T 4.4348 8.3227 106.6474 61.6380 70.7478 174.2567 78 R 4.6881 7.7219 118.6197 54.2664 32.8659 175.2616 79 T 4.2335 8.2286 116.4939 64.1682 69.5422 173.0243 80 Y 3.4254 8.4052 127.6044 58.2249 35.9224 168.7707 81 R 4.0838 7.6447 123.0537 54.3140 32.3101 177.0337 *82 G 3.7274 8.3847 106.6707 46.1765 0.0000 172.7997 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 4.26 0.00 3.84 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 5 L 7.92 3.55 0.00 1.49 1.56 1.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.78 4.16 0.00 1.89 1.91 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 7 K 8.62 4.51 0.00 1.66 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.45 7.81 8 G 6.80 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 9 V 8.04 4.32 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 1.14 0.00 0.00 0.98 0.00 0.00 10 F 9.50 4.21 0.00 3.21 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 11 V 8.54 3.36 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 0.75 0.00 0.00 0.86 0.00 0.00 12 D 8.26 4.41 0.00 2.50 2.51 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 13 D 8.72 4.45 0.00 2.71 2.70 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 14 H 8.24 4.44 0.00 3.25 3.41 0.00 5.50 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.93 4.44 0.00 1.74 1.62 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.66 4.29 0.00 1.72 1.70 0.89 0.76 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 17 E 8.06 4.17 0.00 2.16 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 2.29 2.30 0.00 18 K 8.22 4.63 0.00 1.64 1.79 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.33 7.81 19 V 7.91 4.08 2.11 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 0.92 0.00 0.00 0.90 0.00 0.00 20 L 7.54 4.08 0.00 1.84 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.08 3.96 0.00 2.18 2.20 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 2.34 2.35 0.00 22 L 7.53 4.07 0.00 1.87 1.81 0.89 0.48 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 23 N 8.44 4.75 0.00 2.98 2.88 0.00 0.00 6.90 7.97 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 24 A 7.22 4.40 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 9.23 4.04 0.00 2.01 2.35 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.31 7.81 26 G 7.75 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 27 E 7.57 4.47 0.00 1.91 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 0.00 2.35 2.35 0.00 28 K 8.08 4.29 0.00 1.73 1.10 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 R 8.45 4.31 0.00 1.75 1.91 0.00 3.09 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 30 L 8.08 3.83 0.00 1.61 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.74 4.51 1.81 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 1.28 1.06 0.93 0.00 0.00 32 K 8.19 4.46 0.00 1.38 1.01 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 33 T 7.41 4.58 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 1.17 0.00 0.00 34 W 8.94 4.69 0.00 3.36 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 35 S 7.93 4.61 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 36 R 8.15 4.08 0.00 2.09 2.35 0.00 3.03 0.00 0.00 3.49 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 37 R 7.55 4.58 0.00 2.22 2.18 0.00 3.23 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 38 S 7.58 3.22 0.00 3.70 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 39 T 7.55 4.08 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 40 I 7.91 3.67 2.14 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.89 0.00 0.00 41 V 8.34 4.08 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 0.97 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.39 0.00 2.07 2.00 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 43 E 9.03 4.22 0.00 2.15 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 2.26 2.30 0.00 44 M 7.93 4.42 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 45 V 7.36 3.65 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 0.67 0.00 0.00 0.97 0.00 0.00 46 G 8.22 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.20 4.00 0.00 3.29 3.19 0.00 5.66 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 48 T 7.82 3.62 4.03 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 1.07 0.00 0.00 49 I 7.98 3.81 1.76 0.00 0.00 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 1.19 0.93 0.84 0.00 0.00 50 A 8.15 5.60 1.15 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 51 V 7.70 3.54 2.11 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 1.01 0.00 0.00 1.01 0.00 0.00 52 Y 9.79 5.44 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 9.50 5.06 0.00 2.91 2.96 0.00 0.00 6.03 7.00 0.00 0.00 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 6.68 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 55 K 6.73 4.00 0.00 1.57 1.45 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 56 Q 6.94 4.43 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.62 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 57 H 8.59 5.07 0.00 3.04 3.20 0.00 5.70 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 58 V 8.68 3.79 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 0.71 0.00 0.00 0.99 0.00 0.00 59 P 0.00 4.82 0.00 2.11 2.11 0.00 3.77 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 2.01 1.98 0.00 60 V 7.46 3.79 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 0.76 0.00 0.00 0.95 0.00 0.00 61 Y 8.32 4.27 0.00 2.99 2.83 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 62 I 8.21 3.91 1.68 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 1.11 0.72 0.77 0.00 0.00 63 T 8.35 4.98 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 1.26 0.00 0.00 64 E 8.77 4.46 0.00 2.18 2.17 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 2.29 2.31 0.00 65 N 8.22 4.35 0.00 2.76 2.98 0.00 0.00 6.83 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 7.31 4.67 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 67 V 8.23 4.52 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 0.99 0.00 0.00 0.97 0.00 0.00 68 G 8.10 3.84 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 0.00 0.00 0.00 69 H 8.01 5.04 0.00 3.73 3.53 0.00 5.60 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 70 K 8.49 4.77 0.00 1.92 1.85 0.00 2.39 0.00 0.00 2.08 0.00 0.00 3.09 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.62 1.68 7.81 71 L 8.68 4.06 0.00 1.92 1.79 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.32 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.50 3.78 0.00 1.16 1.40 0.00 0.00 0.00 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 2.62 0.00 74 F 7.69 4.92 0.00 3.18 3.13 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 0.00 0.00 0.00 0.00 75 A 8.58 4.54 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 76 P 0.00 4.46 0.00 2.17 2.08 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 77 T 8.32 4.43 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 78 R 7.72 4.69 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 79 T 8.23 4.23 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 1.25 0.00 0.00 80 Y 8.41 3.43 0.00 3.00 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 81 R 7.64 4.08 0.00 1.75 1.79 0.00 3.42 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 *82 G 8.38 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.