NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1991 8.3149 122.1136 53.3815 34.0385 172.7295 9 F 3.6747 7.7863 122.1664 55.7105 34.9220 172.2921 10 K 3.7654 9.3901 127.2612 58.4191 33.1403 176.7608 11 F 5.1848 8.0721 114.8003 55.7233 41.9256 173.6986 12 H 5.2152 8.7900 117.5800 53.1030 31.5338 172.9575 13 S 4.0366 8.5985 115.1765 60.6151 62.8853 175.5861 14 G 3.9753 8.8923 112.6551 45.3057 0.0000 173.5271 15 E 4.1886 7.8804 124.7103 56.4439 30.6900 176.9508 16 K 4.7282 8.6691 130.8696 55.5381 32.6455 173.7446 17 V 4.4400 8.8375 123.2953 59.9789 35.7366 172.7068 18 L 5.1019 8.5441 120.5823 53.0160 44.6801 175.4965 19 C 4.9542 8.8128 123.4333 57.3204 34.8874 173.4303 20 F 4.9150 8.2748 124.0969 56.9126 39.6957 174.7338 21 E 4.0065 8.8725 122.6905 56.5413 29.2683 175.1222 22 P 4.3409 0.0000 0.0000 65.8130 31.6145 176.2354 23 D 4.4617 7.9737 121.9024 52.7755 40.6243 174.9308 24 P 4.2947 0.0000 0.0000 65.1500 31.5107 177.6999 25 T 4.1658 7.8225 106.4005 62.2302 69.2272 174.7533 26 K 4.4207 7.6851 121.8483 54.2444 34.0277 175.9185 27 A 3.9774 8.3049 123.2111 52.3505 18.5278 178.0471 28 R 4.1666 8.4772 121.6576 56.6278 29.2906 176.2232 29 V 4.5353 7.9186 115.2223 59.3195 36.4733 174.4166 30 L 4.5668 8.2733 123.5292 53.9877 42.6434 175.6395 31 Y 4.6887 8.9305 122.2580 56.2209 40.4767 175.1029 32 D 4.7674 8.7779 122.7191 54.9290 42.3281 175.2829 33 A 4.9061 8.7706 123.2595 51.2428 23.5191 174.7534 34 K 4.9707 8.7874 117.1526 54.8681 37.1680 176.7025 35 I 4.2379 8.2715 124.2585 60.9058 37.2145 176.9903 36 V 3.5956 8.8908 129.1128 65.6819 32.0954 175.3147 37 D 4.7299 7.5294 117.3608 53.3030 44.9994 173.7934 38 V 5.0645 8.2986 120.8030 61.0158 34.2721 174.3428 39 I 4.6634 8.8563 120.4090 58.8667 41.4169 174.8486 40 V 4.2820 8.4632 123.4771 62.0576 31.5510 175.4863 41 G 4.2841 8.9748 119.2516 45.4135 0.0000 173.4114 *48 K 4.3833 8.0463 120.5926 54.2136 34.1749 178.6764 49 I 4.5232 7.5995 114.4427 59.7867 39.9820 173.0852 50 P 5.2568 0.0000 0.0000 62.1449 33.2983 174.8128 51 E 4.7934 8.9410 120.0909 55.0866 33.5022 174.0591 52 Y 4.9762 8.9337 122.1439 56.2737 40.8439 174.6025 53 L 3.8466 8.6873 126.6116 53.8385 43.2363 175.2134 54 I 4.6309 8.3224 127.9672 59.8516 39.8831 174.2795 55 H 5.3807 8.5345 124.8930 53.3250 32.9892 172.1948 56 F 4.8230 8.7001 124.6103 56.0660 40.0113 175.1892 57 N 4.4633 8.5514 122.4022 55.0580 38.8179 176.0426 58 G 3.9380 9.0743 109.8248 45.1355 0.0000 173.1568 59 W 4.7023 7.7897 119.2961 54.2775 31.6075 175.5308 60 N 4.8297 8.7982 118.9325 52.5437 37.8539 176.2397 61 R 4.2949 8.6775 117.6600 58.9648 30.2117 178.9449 62 S 4.2615 7.5302 108.5463 59.6916 62.9288 174.7580 63 W 4.5962 8.1765 120.1131 56.6589 29.6808 176.1141 64 D 5.0585 7.9838 119.7371 55.0359 41.6346 175.4092 65 R 4.6495 8.2487 115.2296 55.3972 33.4510 173.7465 66 W 5.0537 9.0255 120.0634 56.2022 29.7912 175.7740 67 A 5.0302 8.9871 127.0286 49.8358 21.6715 175.9725 68 A 4.5925 8.4571 123.0742 51.4341 19.8709 178.2957 69 E 4.2338 9.3377 120.9226 59.7359 29.5180 178.8914 70 D 4.7110 8.2446 114.0665 55.0785 39.3315 176.1333 71 H 4.8016 8.5137 117.3924 56.4383 29.5648 174.3509 72 V 4.2779 7.9553 120.6002 61.0548 32.7190 174.9177 73 L 4.9347 8.5643 127.6859 52.6997 44.5124 175.8753 74 R 4.4857 8.7265 123.3496 56.3029 30.9124 177.0367 75 D 4.5998 8.7928 126.2623 53.7248 39.3865 175.4436 76 T 4.6359 7.5324 114.4883 59.0092 73.0016 174.7563 77 D 4.2893 8.6033 120.5093 57.8402 40.8455 178.6325 78 E 3.8501 8.0844 118.9054 59.8351 29.8221 178.9474 79 N 4.4603 8.0789 115.8186 55.7539 38.6082 177.5100 80 R 3.9285 7.9347 120.7054 59.0766 30.2383 178.4017 81 R 3.8893 8.1912 119.1320 59.2285 29.9848 178.2851 82 L 4.0229 8.0633 120.2885 57.7437 42.0582 178.6468 83 Q 3.8254 8.0718 119.7084 59.0993 29.0870 177.8767 84 R 3.8338 7.9284 119.6805 59.6634 30.1495 178.3649 85 K 3.9299 7.8446 117.2986 59.6266 32.1967 179.3972 86 L 4.0214 8.2344 119.1591 57.6393 41.4946 179.4895 87 A 3.9614 8.4827 121.2663 55.0150 18.2060 179.9910 88 R 3.8215 7.9153 116.5161 59.3416 29.9958 178.9725 89 K 3.8044 7.6645 117.3385 59.6750 32.1400 178.2388 90 A 4.1389 7.7191 119.6888 54.8132 18.4406 179.4030 91 V 3.6532 7.6949 115.6519 66.0569 31.7541 175.8116 92 A 4.1595 8.0424 124.6243 52.5372 18.2024 176.9242 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 8 K 8.31 4.20 0.00 1.79 1.79 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 9 F 7.79 3.67 0.00 3.40 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.39 3.77 0.00 1.63 1.74 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.98 7.81 11 F 8.07 5.18 0.00 2.67 2.80 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 12 H 8.79 5.22 0.00 3.28 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.60 4.04 0.00 3.86 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 14 G 8.89 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 15 E 7.88 4.19 0.00 2.34 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 2.40 2.40 0.00 16 K 8.67 4.73 0.00 1.58 1.59 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 17 V 8.84 4.44 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 0.21 0.00 0.00 0.59 0.00 0.00 18 L 8.54 5.10 0.00 1.42 1.36 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.81 4.95 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.27 4.92 0.00 2.85 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 21 E 8.87 4.01 0.00 2.21 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 0.00 2.51 2.50 0.00 22 P 0.00 4.34 0.00 2.24 2.25 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 23 D 7.97 4.46 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.08 2.10 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 25 T 7.82 4.17 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 26 K 7.69 4.42 0.00 1.91 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81 27 A 8.30 3.98 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 28 R 8.48 4.17 0.00 1.82 1.97 0.00 3.20 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 29 V 7.92 4.54 1.69 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 0.66 0.00 0.00 0.69 0.00 0.00 30 L 8.27 4.57 0.00 1.32 1.36 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.93 4.69 0.00 3.32 3.06 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 0.00 0.00 0.00 32 D 8.78 4.77 0.00 2.73 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 33 A 8.77 4.91 0.84 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 34 K 8.79 4.97 0.00 1.62 1.60 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 35 I 8.27 4.24 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 1.14 0.00 0.00 36 V 8.89 3.60 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 0.61 0.00 0.00 0.84 0.00 0.00 37 D 7.53 4.73 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 5.06 1.96 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 0.62 0.00 0.00 1.05 0.00 0.00 39 I 8.86 4.66 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.51 1.00 0.00 0.00 40 V 8.46 4.28 2.12 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 0.87 0.00 0.00 1.14 0.00 0.00 41 G 8.97 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 0.00 0.00 0.00 0.00 *48 K 8.05 4.38 0.00 1.58 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 49 I 7.60 4.52 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.90 0.00 0.00 50 P 0.00 5.26 0.00 1.90 2.15 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 51 E 8.94 4.79 0.00 1.90 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 0.00 2.34 2.30 0.00 52 Y 8.93 4.98 0.00 3.02 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 53 L 8.69 3.85 0.00 0.27 0.99 0.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.32 4.63 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.21 -0.04 0.00 0.00 55 H 8.53 5.38 0.00 3.28 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.70 4.82 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.46 0.00 2.82 2.84 0.00 0.00 7.15 7.70 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 58 G 9.07 3.94 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 0.00 0.00 0.00 59 W 7.79 4.70 0.00 3.33 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 60 N 8.80 4.83 0.00 3.09 3.09 0.00 0.00 6.18 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 61 R 8.68 4.29 0.00 1.94 2.06 0.00 3.09 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 1.70 1.65 0.00 62 S 7.53 4.26 0.00 3.73 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 63 W 8.18 4.60 0.00 3.46 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 64 D 7.98 5.06 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.25 4.65 0.00 1.95 2.08 0.00 2.84 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 66 W 9.03 5.05 0.00 3.25 3.29 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 0.00 67 A 8.99 5.03 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 68 A 8.46 4.59 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 69 E 9.34 4.23 0.00 2.38 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 2.62 2.73 0.00 70 D 8.24 4.71 0.00 2.93 2.88 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 71 H 8.51 4.80 0.00 3.56 3.53 0.00 5.79 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 72 V 7.96 4.28 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 -0.22 0.00 0.00 0.70 0.00 0.00 73 L 8.56 4.93 0.00 1.54 1.49 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.73 4.49 0.00 1.95 1.89 0.00 3.23 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 75 D 8.79 4.60 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.64 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 1.27 0.00 0.00 77 D 8.60 4.29 0.00 2.71 2.76 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 78 E 8.08 3.85 0.00 2.03 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 2.40 2.46 0.00 79 N 8.08 4.46 0.00 2.80 2.80 0.00 0.00 6.78 8.54 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 80 R 7.93 3.93 0.00 2.13 1.90 0.00 3.08 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 81 R 8.19 3.89 0.00 2.07 2.04 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 L 8.06 4.02 0.00 1.83 1.64 0.97 0.77 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 83 Q 8.07 3.83 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 84 R 7.93 3.83 0.00 2.01 2.09 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 85 K 7.84 3.93 0.00 2.03 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.61 7.81 86 L 8.23 4.02 0.00 1.79 1.88 1.07 1.44 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 87 A 8.48 3.96 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 88 R 7.92 3.82 0.00 1.86 1.98 0.00 3.30 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 89 K 7.66 3.80 0.00 1.86 2.06 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 90 A 7.72 4.14 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 91 V 7.69 3.65 2.28 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 0.84 0.00 0.00 0.92 0.00 0.00 92 A 8.04 4.16 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.