NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2937 8.3349 116.7826 58.3574 64.9520 170.5300 5 L 3.8312 8.4959 125.0593 52.6003 41.2508 173.0781 6 K 4.6748 9.2651 119.8427 56.5745 36.5756 176.5802 7 K 4.3124 8.3122 118.4100 57.3526 33.3698 175.8088 8 G 4.5131 7.7441 106.7064 44.0336 0.0000 171.8884 9 V 4.3293 8.0666 115.6148 61.1869 33.0847 176.7049 10 F 4.1153 8.4793 111.7289 57.8568 36.8318 175.1682 11 V 3.6455 7.0265 119.9146 61.1461 31.9577 175.8117 12 D 4.4116 8.4993 124.1830 54.8351 41.1937 176.1183 13 D 4.7463 8.5649 122.7488 54.7671 41.0168 176.5285 14 H 4.9122 7.9137 112.1354 55.4758 28.7212 174.8869 15 L 4.4769 7.5734 121.2125 57.0827 42.5618 178.7826 16 L 4.0422 7.6919 118.1528 57.4226 41.0633 178.8495 17 E 4.0276 8.1331 119.0045 58.0365 29.5539 177.2323 18 K 4.2480 7.8159 116.4252 56.1641 32.4173 176.2302 19 V 4.2969 7.4416 114.9611 62.6221 32.6854 176.1704 20 L 4.1184 7.7035 118.0500 55.9265 42.7573 177.3950 21 E 4.2983 7.6364 117.2824 57.1740 30.1678 177.1540 22 L 4.3943 7.6210 120.1880 55.8285 42.4122 176.4159 23 N 4.7035 7.3118 114.5261 54.0894 40.3180 175.5236 24 A 4.2534 6.9575 122.2888 51.0117 16.5652 175.6593 25 K 4.1835 8.0331 119.9107 54.5395 31.2215 177.0667 26 G 4.3862 7.7962 104.4397 45.5238 0.0000 173.8455 27 E 4.4683 7.4334 124.0265 56.0021 30.3348 177.4808 28 K 4.4425 8.3885 124.0619 57.4936 32.4380 176.5162 29 R 4.5717 8.2871 112.5967 56.9201 32.5824 174.8815 30 L 4.0579 7.8972 120.1335 55.3765 40.9811 174.8284 31 I 4.6528 7.9874 122.3904 58.8931 41.2589 173.9072 32 K 4.9822 8.5918 127.7657 55.2995 34.5875 175.2067 33 T 4.7247 8.1004 115.5075 60.6577 71.4694 173.5327 34 W 4.7608 9.1219 124.4049 56.7921 30.2763 177.1929 35 S 4.8302 7.6728 112.2876 57.0591 61.3645 173.5865 36 R 4.5135 8.0066 116.7175 56.8498 29.8961 177.9169 37 R 4.6328 8.0518 112.6644 56.2107 30.0580 175.1655 38 S 4.8174 7.7619 113.2788 57.0382 66.6111 172.7241 39 T 4.4865 7.5687 116.9791 62.1534 69.4316 175.1596 40 I 3.7710 8.0189 127.2585 61.6047 37.9059 175.7098 41 V 4.2347 8.1074 125.1917 60.1672 33.1558 173.4974 42 P 4.2715 0.0000 0.0000 64.2000 31.8205 175.3651 43 E 4.2270 8.9495 121.0216 56.7390 28.9896 176.2016 44 M 4.3860 7.7126 115.8763 55.8322 31.9142 176.3172 45 V 3.7321 7.0681 113.9758 63.3163 32.0699 174.4159 46 G 4.0235 8.7878 113.6108 46.3400 0.0000 174.4766 47 H 4.5355 7.2851 117.2673 54.4262 25.9026 174.0502 48 T 3.7312 7.7499 111.2848 62.5232 69.7383 173.6878 49 I 4.7559 7.6288 126.9291 59.3750 39.4247 175.0301 50 A 4.9282 8.8716 129.6005 50.5967 20.0472 176.2649 51 V 4.7166 8.2839 121.9542 61.0763 35.1515 173.5144 52 Y 5.0665 8.3720 128.7437 56.1561 39.0615 174.8360 53 N 4.7055 8.2092 122.6665 51.8495 38.4296 174.5285 54 G 3.9220 7.0598 107.8052 45.5803 0.0000 173.4786 55 K 4.3057 6.7815 118.5877 56.3963 35.4980 178.1892 56 Q 4.4917 6.9473 120.1162 55.7118 32.6348 173.2908 57 H 5.2000 8.8247 115.4675 54.1093 31.9603 174.0123 58 V 4.0821 8.4380 118.0473 58.6479 32.1889 176.0791 59 P 5.1665 0.0000 0.0000 62.3184 28.3340 177.6090 60 V 3.8339 7.5764 120.2162 62.7722 32.9897 176.0860 61 Y 4.3889 8.6728 126.1513 57.3078 39.9244 174.0755 62 I 4.1726 7.2572 125.7654 59.5158 40.9214 174.1339 63 T 4.6059 7.8877 123.2223 59.9645 70.6906 173.3405 64 E 3.9637 8.8528 118.5752 59.4379 29.6686 177.6222 65 N 4.2359 8.2937 116.1648 55.5092 38.6260 174.2130 66 M 4.6421 7.6228 115.7507 53.6788 31.5094 174.5223 67 V 4.1790 8.3392 121.4761 64.4080 33.5201 177.8426 68 G 3.3946 8.0907 106.0294 47.8595 0.0000 173.3662 69 H 4.6288 7.7436 117.4170 55.3929 29.6624 174.8040 70 K 4.9424 8.2881 119.5537 54.6457 33.3077 177.9999 71 L 4.4236 8.5370 119.7665 56.3783 41.7237 178.4797 72 G 3.9083 8.0030 107.3475 47.3828 0.0000 175.2301 73 E 3.9741 8.0523 119.3365 58.9691 29.4222 177.4745 74 F 4.5893 8.0997 115.4290 56.8812 39.4374 176.0815 75 A 4.4012 7.7574 124.9393 49.9078 19.9757 175.0228 76 P 4.2702 0.0000 0.0000 64.4620 31.5238 176.7797 77 T 4.3845 8.3857 110.3671 61.8057 69.8518 174.6109 78 R 4.7033 7.4735 119.8544 54.7752 34.1685 174.5356 79 T 4.2547 8.3252 117.0784 64.1448 70.1731 173.3047 80 Y 3.3294 8.4291 123.0230 58.0645 35.7369 168.7079 81 R 4.2480 7.3459 119.6587 54.8765 32.3945 177.4526 *82 G 3.7274 8.4391 107.9605 45.9950 0.0000 172.8251 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 4.29 0.00 3.86 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 0.00 5 L 8.50 3.83 0.00 1.93 1.89 1.02 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.27 4.67 0.00 1.82 1.86 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.41 7.81 7 K 8.31 4.31 0.00 1.76 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.49 7.81 8 G 7.74 4.51 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 0.00 0.00 0.00 9 V 8.07 4.33 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 0.89 0.00 0.00 0.92 0.00 0.00 10 F 8.48 4.12 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.03 3.65 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 0.60 0.00 0.00 0.86 0.00 0.00 12 D 8.50 4.41 0.00 2.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.75 0.00 2.66 2.66 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 14 H 7.91 4.91 0.00 3.26 3.37 0.00 5.50 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.57 4.48 0.00 1.76 1.68 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.69 4.04 0.00 1.70 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.13 4.03 0.00 2.15 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 2.37 2.36 0.00 18 K 7.82 4.25 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.53 7.81 19 V 7.44 4.30 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 0.82 0.00 0.00 0.96 0.00 0.00 20 L 7.70 4.12 0.00 1.70 1.67 0.91 0.94 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 21 E 7.64 4.30 0.00 2.34 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 0.00 2.23 2.28 0.00 22 L 7.62 4.39 0.00 1.78 1.53 0.99 0.54 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 23 N 7.31 4.70 0.00 2.66 2.85 0.00 0.00 7.12 7.84 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 24 A 6.96 4.25 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 25 K 8.03 4.18 0.00 2.02 2.26 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.38 7.81 26 G 7.80 4.39 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 0.00 0.00 0.00 27 E 7.43 4.47 0.00 1.96 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 2.32 2.40 0.00 28 K 8.39 4.44 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.29 4.57 0.00 1.93 2.03 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 30 L 7.90 4.06 0.00 1.63 1.67 0.92 0.90 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 31 I 7.99 4.65 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 1.22 1.56 0.96 0.00 0.00 32 K 8.59 4.98 0.00 1.50 1.20 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.31 7.81 33 T 8.10 4.72 4.28 0.00 0.00 0.00 0.00 0.00 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 34 W 9.12 4.76 0.00 3.38 3.07 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 0.00 0.00 0.00 35 S 7.67 4.83 0.00 3.98 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 0.00 36 R 8.01 4.51 0.00 2.08 2.13 0.00 3.38 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 37 R 8.05 4.63 0.00 2.05 2.14 0.00 3.26 0.00 0.00 3.50 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 38 S 7.76 4.82 0.00 3.75 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 39 T 7.57 4.49 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 1.17 0.00 0.00 40 I 8.02 3.77 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.81 0.00 0.00 41 V 8.11 4.23 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 0.98 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.27 0.00 2.06 1.96 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 43 E 8.95 4.23 0.00 2.05 2.34 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 2.22 2.26 0.00 44 M 7.71 4.39 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.07 3.73 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 0.59 0.00 0.00 0.89 0.00 0.00 46 G 8.79 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 47 H 7.29 4.54 0.00 3.27 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.75 3.73 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 1.28 0.00 0.00 49 I 7.63 4.76 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.88 0.00 0.00 50 A 8.87 4.93 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 51 V 8.28 4.72 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 1.08 0.00 0.00 0.94 0.00 0.00 52 Y 8.37 5.07 0.00 2.34 2.68 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 0.00 0.00 0.00 0.00 53 N 8.21 4.71 0.00 2.88 2.80 0.00 0.00 6.37 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 7.06 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 55 K 6.78 4.31 0.00 1.57 1.50 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.38 7.81 56 Q 6.95 4.49 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 57 H 8.82 5.20 0.00 2.98 3.15 0.00 5.69 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 58 V 8.44 4.08 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 0.83 0.00 0.00 1.02 0.00 0.00 59 P 0.00 5.17 0.00 2.09 2.13 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 60 V 7.58 3.83 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 0.85 0.00 0.00 0.99 0.00 0.00 61 Y 8.67 4.39 0.00 2.96 2.89 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 62 I 7.26 4.17 1.61 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.78 0.65 0.00 0.00 63 T 7.89 4.61 4.36 0.00 0.00 0.00 0.00 0.00 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 64 E 8.85 3.96 0.00 2.11 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 0.00 2.28 2.34 0.00 65 N 8.29 4.24 0.00 2.74 3.01 0.00 0.00 6.74 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 7.62 4.64 0.00 1.99 1.78 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 2.06 2.53 0.00 67 V 8.34 4.18 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 0.99 0.00 0.00 0.97 0.00 0.00 68 G 8.09 3.39 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 0.00 0.00 0.00 69 H 7.74 4.63 0.00 3.61 3.58 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.29 4.94 0.00 1.90 1.93 0.00 2.33 0.00 0.00 2.04 0.00 0.00 3.32 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.50 7.81 71 L 8.54 4.42 0.00 1.83 1.78 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.00 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 0.00 0.00 0.00 73 E 8.05 3.97 0.00 1.60 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 74 F 8.10 4.59 0.00 3.01 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 75 A 7.76 4.40 1.22 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 76 P 0.00 4.27 0.00 2.16 2.06 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 1.96 1.95 0.00 77 T 8.39 4.38 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 1.26 0.00 0.00 78 R 7.47 4.70 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 79 T 8.33 4.25 4.28 0.00 0.00 0.00 0.00 0.00 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 8.43 3.33 0.00 3.05 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 7.35 4.25 0.00 1.77 1.77 0.00 3.46 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 *82 G 8.44 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.