NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2468 8.2649 123.5842 51.7889 19.8935 176.2194 4 I 3.8746 8.1327 122.0540 60.6058 37.5648 173.8387 5 H 5.0223 9.1843 122.7558 53.4522 33.2083 173.8594 6 C 4.5306 8.5732 118.4961 56.1175 40.6383 172.3961 7 P 4.5278 0.0000 0.0000 61.7788 31.6557 174.6005 8 P 4.2891 0.0000 0.0000 63.1016 31.8260 176.6248 9 C 4.5638 8.5566 119.5767 56.1508 42.0626 174.6204 10 S 4.4709 8.4428 120.2837 57.8306 64.8386 174.5481 11 E 3.9561 8.9363 126.4102 60.4028 29.0676 179.9344 12 E 4.0789 8.1604 119.2411 61.5070 30.3779 181.3658 *13 K 4.3296 8.2169 125.0944 59.8146 31.4927 181.1315 14 L 4.2565 8.1926 120.1859 57.2957 41.2251 179.4700 15 A 4.1219 7.5358 121.3225 54.6197 18.4623 178.3617 16 R 4.3012 7.5310 112.3438 56.7155 30.6207 176.3227 17 C 4.4015 7.6811 116.1694 56.8412 40.6068 173.0861 18 R 4.6510 8.2812 120.9149 53.6167 30.8258 174.2974 19 P 4.3916 0.0000 0.0000 61.4020 31.9569 174.6849 20 P 4.4717 0.0000 0.0000 62.7534 32.0040 175.9130 21 V 4.3653 8.0951 112.7213 60.9232 34.2445 175.8328 22 G 3.8444 8.8767 110.5766 46.5607 0.0000 173.5918 23 C 4.7611 8.1283 118.4517 55.7599 41.7073 174.7653 *24 E 4.0420 8.6865 119.5402 57.9329 30.1357 174.9612 *25 E 4.8185 7.8194 115.9956 55.0654 34.1642 174.2432 26 L 5.0999 8.5824 123.7822 53.4272 43.4015 176.2246 27 V 4.6140 8.5546 116.1307 59.0926 36.3763 175.1575 28 R 4.4686 8.5446 122.3747 56.2073 30.6786 176.0094 29 E 4.2904 8.8032 124.5470 55.8044 30.5748 175.2501 30 P 4.4608 0.0000 0.0000 63.0642 33.1329 179.4254 31 G 3.7092 7.9640 108.8269 47.5746 0.0000 174.8613 32 C 4.8069 8.9096 119.8981 56.1545 40.2327 173.6530 33 G 3.8517 7.9906 109.4598 46.1167 0.0000 173.8468 34 C 4.5380 8.7372 119.3701 57.5620 41.0695 174.2389 35 C 4.6946 8.7311 118.0168 55.3900 42.2253 171.8847 36 A 5.4999 8.2983 120.9147 51.2482 21.8406 175.7184 37 T 4.7467 8.9305 109.0286 59.9851 73.1364 172.3465 38 C 5.0680 8.7126 118.4934 56.8369 40.8443 173.9912 39 A 4.5885 8.5358 124.6302 51.7453 19.1623 177.4060 40 L 4.2615 8.9806 121.1583 54.3256 43.5086 177.5199 41 G 4.1511 8.4516 111.1758 43.6401 0.0000 172.6999 42 L 4.0452 8.2457 121.0003 56.6970 42.0910 177.4848 43 G 3.9818 9.1982 116.8049 46.3025 0.0000 174.2921 44 M 4.4784 7.7508 120.7515 54.0218 32.5742 179.9402 45 P 5.0591 0.0000 0.0000 63.3992 32.4049 174.1759 46 C 4.8094 8.8545 114.9317 55.6257 43.0704 173.4291 47 G 4.1223 8.9184 106.9012 45.4747 0.0000 173.6538 48 V 3.3232 7.9754 118.8104 65.8123 31.2078 177.4750 49 Y 4.6203 7.6053 113.3091 57.8868 38.6063 175.6340 50 T 4.3603 7.3507 110.5296 59.7532 70.1153 172.3896 51 P 4.4762 0.0000 0.0000 62.9344 32.1241 176.7315 52 R 4.2634 8.4361 119.6534 56.2478 31.4158 177.0679 53 C 4.8434 8.6959 118.9149 56.8810 37.9823 174.6779 54 G 3.7833 8.6063 110.8114 44.7784 0.0000 172.8989 55 S 4.0379 8.6481 115.2939 60.1414 63.0525 174.8298 56 G 3.9518 9.1594 111.8127 45.9676 0.0000 172.4100 57 L 5.2075 7.6221 117.6243 52.7054 45.8738 175.9619 58 R 4.7450 8.9484 117.4875 54.5092 33.6062 173.2049 59 C 4.9621 8.7597 120.5453 56.0947 43.5325 172.0284 60 Y 5.0170 8.7537 127.1378 54.8371 42.3467 172.5055 61 P 4.5934 0.0000 0.0000 62.0141 32.3172 174.5534 62 P 4.4290 0.0000 0.0000 62.8349 32.0582 176.6722 63 R 4.0312 8.3859 119.2521 57.6152 29.6991 177.9472 64 G 3.9725 8.8324 110.3078 45.6549 0.0000 174.0033 65 V 3.9257 7.1035 111.9864 60.4686 32.2045 176.7429 66 E 4.1792 8.7078 121.3656 58.5207 30.3779 177.2555 67 K 4.5962 7.5399 118.0999 52.7654 32.8946 174.4201 68 P 4.1940 0.0000 0.0000 65.3320 31.5428 178.0478 69 L 3.9137 7.7019 117.3025 58.1096 41.6846 178.9911 70 H 4.2502 8.0417 115.9286 59.0529 28.6177 177.8235 71 T 3.9299 8.1230 111.6997 64.6926 68.5643 176.7338 72 L 3.9058 7.8067 121.4892 57.8521 41.4347 179.2705 73 M 4.1547 8.1267 117.7972 58.6235 32.0032 177.6967 *74 H 4.6665 8.1385 113.2851 55.1432 28.9154 175.5230 75 G 3.9339 7.8696 108.2153 47.0739 0.0000 174.1735 76 Q 4.5222 8.6807 116.2920 55.2690 29.8143 176.2089 77 G 4.0536 8.2183 109.0708 46.0265 0.0000 173.0608 78 V 5.1281 8.7516 118.6625 59.7147 34.9621 174.4711 79 C 4.9220 9.0720 122.1422 57.6290 41.2951 172.7354 80 M 5.2302 8.9846 122.6523 53.3235 36.7638 174.6529 81 E 4.9115 8.5054 119.6348 55.0533 31.1173 177.4863 82 L 4.0681 8.1954 119.4050 55.2920 41.7813 177.3918 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 3 A 8.26 4.25 1.21 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 0.00 0.00 0.00 0.00 0.00 4 I 8.13 3.87 1.84 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 1.39 0.20 0.90 0.00 0.00 5 H 9.18 5.02 0.00 3.11 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.57 4.53 0.00 2.99 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 7 P 0.00 4.53 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.67 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 8 P 0.00 4.29 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 9 C 8.56 4.56 0.00 2.96 3.03 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 0.00 10 S 8.44 4.47 0.00 4.05 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 11 E 8.94 3.96 0.00 2.05 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 0.00 2.38 2.39 0.00 12 E 8.16 4.08 0.00 2.11 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 0.00 2.23 1.94 0.00 *13 K 8.22 4.33 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 14 L 8.19 4.26 0.00 1.83 1.75 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.54 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.53 4.30 0.00 1.99 1.98 0.00 3.17 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 17 C 7.68 4.40 0.00 3.13 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 18 R 8.28 4.65 0.00 1.90 1.92 0.00 3.04 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 19 P 0.00 4.39 0.00 2.06 2.03 0.00 3.68 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 2.02 2.07 0.00 20 P 0.00 4.47 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 21 V 8.10 4.37 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 0.75 0.00 0.00 0.93 0.00 0.00 22 G 8.88 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 23 C 8.13 4.76 0.00 2.97 3.18 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 *24 E 8.69 4.04 0.00 1.99 1.86 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 2.22 1.90 0.00 *25 E 7.82 4.82 0.00 1.89 1.80 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 2.29 2.39 0.00 26 L 8.58 5.10 0.00 1.52 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.55 4.61 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 0.67 0.00 0.00 0.96 0.00 0.00 28 R 8.54 4.47 0.00 1.83 1.83 0.00 3.36 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 29 E 8.80 4.29 0.00 1.94 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 2.37 2.35 0.00 30 P 0.00 4.46 0.00 2.25 2.48 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 31 G 7.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.91 4.81 0.00 2.98 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 33 G 7.99 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.74 4.54 0.00 2.98 3.15 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 35 C 8.73 4.69 0.00 3.04 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 36 A 8.30 5.50 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 37 T 8.93 4.75 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 38 C 8.71 5.07 0.00 2.89 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 39 A 8.54 4.59 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 40 L 8.98 4.26 0.00 1.60 1.60 1.05 0.73 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 41 G 8.45 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 42 L 8.25 4.05 0.00 1.60 1.62 0.98 1.04 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 43 G 9.20 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 44 M 7.75 4.48 0.00 1.75 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 45 P 0.00 5.06 0.00 2.08 2.09 0.00 3.78 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 2.00 1.98 0.00 46 C 8.85 4.81 0.00 3.00 3.19 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 47 G 8.92 4.12 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 0.00 0.00 0.00 48 V 7.98 3.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.73 0.00 0.00 49 Y 7.61 4.62 0.00 3.00 2.93 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 0.00 0.00 0.00 50 T 7.35 4.36 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 1.27 0.00 0.00 51 P 0.00 4.48 0.00 1.97 2.17 0.00 3.70 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 2.16 0.00 52 R 8.44 4.26 0.00 1.77 1.85 0.00 3.23 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 53 C 8.70 4.84 0.00 2.87 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 54 G 8.61 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.65 4.04 0.00 4.00 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 56 G 9.16 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 57 L 7.62 5.21 0.00 1.57 1.52 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.95 4.74 0.00 1.84 1.97 0.00 2.78 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 59 C 8.76 4.96 0.00 3.02 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 60 Y 8.75 5.02 0.00 3.07 2.74 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 0.00 0.00 0.00 61 P 0.00 4.59 0.00 1.93 1.85 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.55 0.00 62 P 0.00 4.43 0.00 2.20 2.03 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 63 R 8.39 4.03 0.00 1.83 1.73 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 64 G 8.83 3.97 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 0.00 0.00 0.00 65 V 7.10 3.93 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 0.75 0.00 0.00 0.94 0.00 0.00 66 E 8.71 4.18 0.00 2.08 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 0.00 2.28 2.27 0.00 67 K 7.54 4.60 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.44 7.81 68 P 0.00 4.19 0.00 2.05 1.96 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 69 L 7.70 3.91 0.00 1.53 1.60 0.85 1.07 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 70 H 8.04 4.25 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.12 3.93 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 1.24 0.00 0.00 72 L 7.81 3.91 0.00 1.87 1.68 0.78 0.63 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 73 M 8.13 4.15 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.91 0.00 *74 H 8.14 4.67 0.00 3.41 3.12 0.00 7.33 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.87 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.68 4.52 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 77 G 8.22 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 0.00 0.00 0.00 78 V 8.75 5.13 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 0.78 0.00 0.00 0.99 0.00 0.00 79 C 9.07 4.92 0.00 3.07 3.09 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 80 M 8.98 5.23 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 81 E 8.51 4.91 0.00 1.84 1.88 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 2.48 2.18 0.00 82 L 8.20 4.07 0.00 1.59 1.52 0.89 0.74 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 * Residues marked with a * may have inaccurate shift predictions.