NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1408 8.3149 121.7871 55.8938 34.6254 175.0195 3 F 4.8659 7.5947 118.1399 54.8350 41.7233 168.5965 *5 V 4.1001 8.1991 120.2902 63.6221 33.8927 175.0663 6 E 4.8825 8.8637 127.0475 54.5156 33.0273 173.9847 7 V 4.8622 9.4608 128.1449 61.3391 34.1598 174.1829 8 R 5.1229 9.1881 127.9427 54.6625 32.3926 175.3237 9 I 5.0917 9.0127 124.8807 59.5032 40.4906 174.6934 10 R 4.9064 9.3262 126.9098 54.4330 33.7202 174.2560 11 L 4.5342 8.7504 125.8204 54.8868 42.3460 177.2787 12 K 4.4818 9.0031 121.9604 55.4730 32.8899 177.3871 13 K 3.7912 8.5628 122.3594 58.5116 32.8045 177.7477 14 G 3.8465 8.5405 111.5473 45.8885 0.0000 173.1414 *16 L 3.9816 7.2946 117.8583 54.6735 43.4783 176.1540 17 N 4.8291 8.1820 121.8364 50.2070 40.2156 172.7316 18 P 4.2286 0.0000 0.0000 65.4745 31.5503 177.6658 19 E 3.8781 8.1692 116.8622 59.2318 29.7118 178.2674 20 A 3.9732 8.0708 120.0024 55.3679 18.4386 179.2890 21 A 3.9796 8.3949 119.4779 55.5489 18.4379 180.0298 22 T 3.8092 8.2221 114.4991 66.7433 68.4784 176.9046 23 I 3.6925 8.0953 122.0543 64.3600 37.1189 177.8703 24 E 3.9244 8.1689 119.9728 59.4467 29.4651 178.8483 25 R 3.8492 7.9948 118.2435 59.4455 30.1819 178.2476 26 A 4.0278 8.1079 120.4921 55.0850 18.4727 179.6181 27 L 4.0008 8.3931 117.6041 57.9246 41.7601 179.2982 28 A 4.8228 8.0778 122.1550 54.8146 18.0534 179.7431 29 L 3.9485 7.7717 115.8515 57.6687 41.7975 178.9047 30 L 4.1010 7.6133 117.9128 55.4416 42.1393 176.7698 31 G 3.8110 7.4516 106.1171 46.4532 0.0000 173.9718 32 Y 4.5600 7.4213 117.7811 56.7958 38.9290 174.2239 33 E 4.8310 8.8309 124.6507 54.6553 30.6766 175.2154 34 V 4.5578 8.2232 118.8229 59.4954 34.7936 174.8022 35 E 4.7370 8.2252 120.1675 54.8707 32.8538 174.8036 36 D 4.4478 8.7981 115.8859 55.0808 38.6496 174.5969 37 T 3.9886 7.4990 113.2925 64.5639 69.0826 173.2183 38 D 4.7718 8.1273 121.7031 53.4080 44.2964 174.5125 39 T 4.7363 8.2672 119.3242 62.0257 72.0397 173.5663 40 T 4.9148 8.4045 120.9874 61.8647 72.4644 172.7820 41 D 5.0012 9.0050 124.9254 52.5088 43.5757 175.3021 42 V 4.8886 8.4779 122.8951 61.1337 33.9876 174.3612 43 I 4.6657 9.0417 128.9764 59.9201 39.5375 174.8718 44 T 5.2163 8.2889 122.6591 61.7230 72.0227 173.2774 45 F 4.7043 7.9285 116.6951 57.0707 40.9530 174.1039 46 T 5.1450 8.5451 117.5339 62.1063 70.8109 173.3115 *48 D 4.5444 8.3847 120.9196 54.7426 40.5693 174.8980 49 E 4.8075 8.6644 123.2563 54.2149 33.0165 175.4445 50 D 4.7086 8.8012 123.9649 57.3816 41.3608 177.1909 51 S 4.7289 7.5599 108.9662 55.5484 66.2921 174.8307 52 L 3.3460 8.8888 124.2029 58.6430 41.8165 179.3524 53 E 4.1594 8.2154 117.2932 59.0522 29.3281 178.9556 54 A 4.0522 8.1689 121.4009 54.6355 18.7749 179.7829 55 V 3.4220 7.2103 116.2872 65.9529 31.6385 177.9242 56 E 3.9002 8.5224 118.6241 59.6812 29.1478 179.7025 57 R 3.9863 7.6163 116.1887 58.9455 30.3359 178.8009 58 E 4.1384 8.2512 118.4826 59.1779 29.4834 178.9917 59 V 3.6839 8.1072 117.2052 66.2887 31.9866 177.1740 60 E 4.2303 8.2902 118.7457 59.4031 29.3100 178.4648 61 D 4.6347 7.9433 117.1677 54.9774 40.7710 178.0198 *63 C 4.2940 8.0665 119.3312 59.9550 30.1017 176.4518 64 Q 3.9289 7.9661 117.3005 58.0842 28.2939 177.3140 65 R 4.5394 7.9390 110.9418 55.7380 29.8986 175.3673 66 L 4.6308 7.4560 118.6728 56.8339 47.1668 176.7923 67 L 4.0652 7.8573 117.8554 57.3795 41.7839 176.3920 68 C 4.4504 7.4481 110.5837 56.8311 32.6937 172.4179 69 N 4.8224 8.6412 117.4816 50.9465 38.2943 172.5679 70 P 4.4527 0.0000 0.0000 65.8275 31.2976 178.8929 71 V 3.9187 7.9482 117.6590 64.7345 31.7353 176.2144 72 I 4.4078 7.4603 111.6278 60.5563 39.4104 174.5559 73 H 5.3897 8.4224 117.9508 54.3040 30.6979 174.1307 74 D 5.2481 9.6418 122.9822 52.8820 43.0310 175.1423 75 Y 5.3637 8.3314 119.7767 55.5627 41.7597 174.0639 76 D 5.0118 9.4274 119.7212 52.5398 44.9004 175.1574 77 V 5.0211 8.4079 121.3550 61.1347 34.4656 174.5014 78 S 5.0147 9.1969 122.6265 56.5429 66.0022 172.9225 79 I 4.7867 8.4127 123.9704 59.5916 39.9376 173.9909 80 N 5.4508 8.7951 124.5815 51.5140 40.2823 174.8701 81 E 3.8372 8.9520 122.5767 57.4561 30.0164 176.9708 *83 S 4.1822 7.7113 115.4498 58.4940 64.1052 172.7499 84 S 4.8824 7.7839 114.9781 58.0058 65.3216 174.6445 85 H 4.4998 9.2463 124.1820 56.1210 29.4454 173.1711 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 2 K 8.31 4.14 0.00 2.06 2.02 0.00 1.81 0.00 0.00 2.16 0.00 0.00 3.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.37 7.81 3 F 7.59 4.87 0.00 3.25 2.95 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 *5 V 8.20 4.10 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 0.00 0.00 0.68 0.00 0.00 0.73 0.00 0.00 6 E 8.86 4.88 0.00 1.98 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 0.00 2.19 2.22 0.00 7 V 9.46 4.86 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 1.03 0.00 0.00 1.06 0.00 0.00 8 R 9.19 5.12 0.00 1.80 1.85 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 9 I 9.01 5.09 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 0.83 0.00 0.00 10 R 9.33 4.91 0.00 1.84 1.75 0.00 3.32 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 11 L 8.75 4.53 0.00 1.59 1.59 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.00 4.48 0.00 1.60 1.75 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.80 1.47 7.81 13 K 8.56 3.79 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 14 G 8.54 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 *16 L 7.29 3.98 0.00 1.62 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.18 4.83 0.00 2.78 2.65 0.00 0.00 7.12 7.71 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 18 P 0.00 4.23 0.00 2.20 2.11 0.00 3.66 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 2.13 2.17 0.00 19 E 8.17 3.88 0.00 2.04 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 2.39 2.39 0.00 20 A 8.07 3.97 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.39 3.98 1.38 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 0.00 0.00 22 T 8.22 3.81 4.43 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 1.22 0.00 0.00 23 I 8.10 3.69 2.03 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 1.42 0.88 0.93 0.00 0.00 24 E 8.17 3.92 0.00 2.14 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 0.00 2.33 2.44 0.00 25 R 7.99 3.85 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 26 A 8.11 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.00 0.00 1.92 1.88 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.08 4.82 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.77 3.95 0.00 1.81 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.61 4.10 0.00 1.84 1.66 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.45 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 32 Y 7.42 4.56 0.00 3.15 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 33 E 8.83 4.83 0.00 1.90 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 2.19 2.37 0.00 34 V 8.22 4.56 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 0.96 0.00 0.00 35 E 8.23 4.74 0.00 1.91 1.83 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 2.20 2.29 0.00 36 D 8.80 4.45 0.00 2.78 2.71 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 37 T 7.50 3.99 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 1.24 0.00 0.00 38 D 8.13 4.77 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.74 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 40 T 8.40 4.91 4.26 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 1.24 0.00 0.00 41 D 9.00 5.00 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 4.89 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 0.88 0.00 0.00 0.95 0.00 0.00 43 I 9.04 4.67 2.02 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 1.27 0.91 1.10 0.00 0.00 44 T 8.29 5.22 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 1.20 0.00 0.00 45 F 7.93 4.70 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.55 5.15 4.32 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 1.28 0.00 0.00 *48 D 8.38 4.54 0.00 2.76 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 49 E 8.66 4.81 0.00 1.96 1.56 0.00 0.00 0.00 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 2.50 0.00 50 D 8.80 4.71 0.00 2.72 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 51 S 7.56 4.73 0.00 3.93 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 52 L 8.89 3.35 0.00 1.93 1.75 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.22 4.16 0.00 2.02 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 2.39 2.38 0.00 54 A 8.17 4.05 1.31 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 0.00 0.00 0.00 55 V 7.21 3.42 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.15 0.00 0.00 56 E 8.52 3.90 0.00 1.95 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 0.00 2.28 2.45 0.00 57 R 7.62 3.99 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 58 E 8.25 4.14 0.00 2.17 1.99 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 2.31 2.60 0.00 59 V 8.11 3.68 2.13 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 0.91 0.00 0.00 1.01 0.00 0.00 60 E 8.29 4.23 0.00 2.24 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 2.36 2.47 0.00 61 D 7.94 4.63 0.00 2.94 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 C 8.07 4.29 0.00 2.95 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 0.00 0.00 0.00 0.00 64 Q 7.97 3.93 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.89 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 65 R 7.94 4.54 0.00 1.87 1.96 0.00 3.02 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 66 L 7.46 4.63 0.00 1.51 1.55 0.86 0.96 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 67 L 7.86 4.07 0.00 1.54 1.65 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.45 4.45 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.64 4.82 0.00 2.76 2.79 0.00 0.00 6.63 7.71 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 70 P 0.00 4.45 0.00 2.34 2.45 0.00 3.76 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 2.11 2.01 0.00 71 V 7.95 3.92 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 0.84 0.00 0.00 0.94 0.00 0.00 72 I 7.46 4.41 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.37 0.88 0.00 0.00 73 H 8.42 5.39 0.00 3.05 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.64 5.25 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 5.36 0.00 3.03 2.84 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 76 D 9.43 5.01 0.00 2.55 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.41 5.02 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 0.86 0.00 0.00 1.12 0.00 0.00 78 S 9.20 5.01 0.00 3.94 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 79 I 8.41 4.79 1.92 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 1.19 0.82 1.03 0.00 0.00 80 N 8.80 5.45 0.00 2.57 2.71 0.00 0.00 7.21 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 81 E 8.95 3.84 0.00 1.87 1.68 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 2.03 2.50 0.00 *83 S 7.71 4.18 0.00 4.08 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 84 S 7.78 4.88 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 9.25 4.50 0.00 3.20 3.12 0.00 5.89 0.00 0.00 0.00 0.00 6.77 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.