NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 H 4.7116 8.4449 117.3684 54.6827 30.9943 174.2356 -1 H 3.9857 8.7472 118.3009 58.3378 29.8295 174.4679 0 H 4.6323 9.8184 114.4712 56.0388 27.3270 174.3585 1 M 4.2864 8.7189 119.8757 54.9796 33.8641 177.8276 2 L 5.0367 8.5459 124.5150 53.4785 41.3553 175.9702 3 I 4.4015 8.5114 120.0002 60.2565 40.2703 175.6549 4 K 5.1654 8.7405 126.2209 53.5268 35.3796 176.2431 5 V 4.7689 8.7831 121.2644 61.2694 34.7794 174.4004 6 K 4.9178 8.8715 128.3809 55.4697 33.7028 177.2908 7 T 4.4785 8.8323 116.1705 60.4090 69.9489 175.5197 8 L 4.1679 8.4563 121.0760 56.8268 41.4914 178.0776 9 T 4.3627 7.7529 107.8002 60.9626 69.3330 175.3663 10 G 3.9204 8.6201 111.4895 44.8667 0.0000 173.8367 11 K 3.9507 7.5211 121.4048 56.8421 33.1506 174.8461 12 E 5.1623 8.8009 128.6379 54.5459 31.2539 174.7746 13 I 4.6846 8.6428 119.9138 59.0552 41.1591 173.7892 14 E 5.0142 8.7076 124.7432 55.1375 31.3649 175.0805 15 I 4.6467 8.7941 126.3813 59.5378 41.9270 173.6803 16 D 5.2332 8.6422 126.2223 53.2684 42.7549 175.0971 17 I 5.1923 9.0239 119.0424 59.5219 42.0647 173.4714 18 E 5.0902 8.9631 120.2918 53.5887 32.6931 176.0527 19 P 4.2294 0.0000 0.0000 65.8572 31.3012 177.6762 20 T 4.0819 7.7221 107.5087 63.2030 69.5524 174.6413 21 D 4.4196 7.9957 124.1731 54.0320 41.3570 176.2428 22 K 4.5924 8.5058 123.5878 56.0349 33.2281 178.0621 23 V 3.5983 8.9504 122.0239 66.4977 31.3568 178.5832 24 E 3.8718 8.3742 118.6097 59.6586 29.3406 179.7638 25 R 4.1130 8.1281 118.5714 59.1987 30.1400 178.4432 26 I 3.6870 7.7192 119.3318 64.3385 37.0778 178.2587 27 K 4.1978 7.8572 120.3494 59.0819 31.8776 179.2740 28 E 3.9575 8.1016 118.6177 59.4198 29.3046 179.6805 29 R 3.9706 8.0640 118.3337 58.8514 30.0612 179.3055 30 V 3.6212 7.7289 118.1527 65.9735 31.6297 177.4318 31 E 4.0528 8.2977 119.3217 59.6296 29.1515 178.4393 32 E 4.0041 7.9823 117.8414 59.0594 29.7020 178.3512 33 K 4.2782 7.4510 115.7777 57.5708 32.6336 177.0240 34 E 4.4601 7.9684 116.0603 54.4173 31.0886 176.2555 35 G 3.8130 8.6096 106.0021 46.2616 0.0000 173.7148 36 I 3.9758 7.5139 120.4149 59.4925 36.9228 174.0625 37 P 4.4614 0.0000 0.0000 62.3669 31.9405 176.2432 38 P 4.2771 0.0000 0.0000 66.1627 31.5633 179.4072 39 Q 4.1077 8.0832 115.5564 57.4856 28.0862 180.4216 40 Q 4.3872 7.7678 113.6420 57.0513 29.3047 176.2187 41 Q 4.1228 7.8776 118.8037 55.6609 29.4961 175.1660 42 R 4.5161 8.3986 120.2738 54.5766 33.6840 173.9775 43 L 5.0766 8.4209 124.3061 53.2699 44.3329 175.8720 44 I 5.0244 8.5588 123.1130 59.7308 40.8985 173.8098 45 Y 4.9008 8.5253 127.3896 56.4446 42.0989 175.3325 46 S 3.3632 8.8604 121.0990 59.1746 60.8408 172.5175 47 G 3.9774 8.2108 110.7160 45.9475 0.0000 174.3056 48 K 4.2941 8.1271 124.8278 54.0003 32.7172 181.6798 49 Q 4.4815 8.5270 124.4810 54.7005 28.5986 173.6648 50 M 3.7188 8.5168 126.4491 53.4177 31.8971 176.2999 51 N 4.3699 9.8360 124.9477 53.7411 39.7122 175.2463 52 D 4.4499 9.2503 126.4812 57.7150 41.1936 178.7132 53 E 3.8863 8.4467 120.7765 59.0683 29.9700 177.3914 54 K 4.3235 7.7898 119.9690 54.2159 32.7146 178.2405 55 T 5.0497 7.9869 106.1962 61.0011 71.2566 174.1688 56 A 4.1718 8.5601 123.2702 55.1238 18.7739 180.0725 57 A 3.9495 8.3077 119.5230 55.5118 18.4702 178.7419 58 D 4.6966 7.9349 111.8218 53.9460 39.2901 176.1238 59 Y 4.6846 7.7185 114.5011 57.3090 38.6963 175.4200 60 K 3.8752 8.1687 118.3002 57.3181 30.2806 175.7797 61 I 3.8947 7.7017 122.7093 61.6036 37.3154 176.5243 62 L 4.6834 8.0681 131.6760 53.3308 40.0487 172.9172 63 G 3.6328 8.3338 103.9270 49.7886 0.0000 173.6086 64 G 4.0238 8.1882 107.4500 45.0268 0.0000 173.5899 65 S 4.2899 7.4343 115.3192 59.0928 64.1688 173.8023 66 V 4.6667 8.5640 122.5744 61.2736 33.0254 174.9624 67 L 4.6875 8.9026 128.7984 54.3862 43.8875 175.6683 68 H 5.2178 8.7976 118.2411 53.9223 31.9830 173.1694 69 L 4.8038 8.6507 124.2971 54.8914 42.1477 176.7146 70 V 4.6038 8.4010 121.6047 61.7011 35.0937 173.4955 71 L 4.6853 8.3329 124.1042 53.4365 45.2346 174.8494 72 A 4.6773 8.3616 124.0806 50.1826 21.4115 175.4240 73 L 4.6607 8.5366 125.3576 53.6547 43.5390 177.8034 74 R 4.1000 8.6932 121.9402 58.1020 29.8848 174.2554 75 G 4.1357 7.7739 104.7290 44.9118 0.0000 173.8454 76 G 3.7240 8.2221 107.5079 46.0091 0.0000 173.3834 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 H 8.44 4.71 0.00 2.95 2.88 0.00 7.18 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.75 3.99 0.00 3.42 3.42 0.00 6.02 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 0 H 9.82 4.63 0.00 3.21 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.72 4.29 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 2 L 8.55 5.04 0.00 1.49 1.62 0.89 0.88 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 3 I 8.51 4.40 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.11 0.86 0.00 0.00 4 K 8.74 5.17 0.00 1.43 1.68 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.22 7.81 5 V 8.78 4.77 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 0.96 0.00 0.00 0.89 0.00 0.00 6 K 8.87 4.92 0.00 1.63 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.29 7.81 7 T 8.83 4.48 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 1.24 0.00 0.00 8 L 8.46 4.17 0.00 1.66 1.78 0.92 0.80 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 9 T 7.75 4.36 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 1.21 0.00 0.00 10 G 8.62 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 11 K 7.52 3.95 0.00 1.95 1.71 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 12 E 8.80 5.16 0.00 2.00 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 2.19 2.26 0.00 13 I 8.64 4.68 1.86 0.00 0.00 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 1.24 0.95 0.94 0.00 0.00 14 E 8.71 5.01 0.00 1.98 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 2.20 2.41 0.00 15 I 8.79 4.65 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.88 0.00 0.00 16 D 8.64 5.23 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.02 5.19 1.85 0.00 0.00 0.82 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 0.55 0.89 0.00 0.00 18 E 8.96 5.09 0.00 2.10 1.84 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 2.23 2.38 0.00 19 P 0.00 4.23 0.00 2.08 2.09 0.00 3.63 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 1.76 1.42 0.00 20 T 7.72 4.08 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 1.20 0.00 0.00 21 D 8.00 4.42 0.00 2.92 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 22 K 8.51 4.59 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.43 7.81 23 V 8.95 3.60 2.29 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 1.08 0.00 0.00 1.12 0.00 0.00 24 E 8.37 3.87 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 2.35 2.51 0.00 25 R 8.13 4.11 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 26 I 7.72 3.69 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.69 0.87 0.00 0.00 27 K 7.86 4.20 0.00 2.03 1.85 0.00 1.78 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.33 7.81 28 E 8.10 3.96 0.00 2.21 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 2.33 2.61 0.00 29 R 8.06 3.97 0.00 2.02 1.95 0.00 3.27 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 30 V 7.73 3.62 2.33 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 0.98 0.00 0.00 0.95 0.00 0.00 31 E 8.30 4.05 0.00 2.14 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 2.31 2.45 0.00 32 E 7.98 4.00 0.00 2.18 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 0.00 2.32 2.35 0.00 33 K 7.45 4.28 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 34 E 7.97 4.46 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 35 G 8.61 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 36 I 7.51 3.98 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 1.41 0.57 0.91 0.00 0.00 37 P 0.00 4.46 0.00 2.17 1.99 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.28 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 Q 8.08 4.11 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 40 Q 7.77 4.39 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.88 4.12 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 42 R 8.40 4.52 0.00 1.87 1.80 0.00 3.27 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 43 L 8.42 5.08 0.00 1.52 1.50 0.88 0.75 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 44 I 8.56 5.02 2.00 0.00 0.00 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 1.11 0.96 0.90 0.00 0.00 45 Y 8.53 4.90 0.00 2.97 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 46 S 8.86 3.36 0.00 3.19 3.58 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 47 G 8.21 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 48 K 8.13 4.29 0.00 1.66 1.69 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.24 7.81 49 Q 8.53 4.48 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.08 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 50 M 8.52 3.72 0.00 1.55 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.95 0.00 51 N 9.84 4.37 0.00 2.88 2.87 0.00 0.00 6.84 9.08 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 52 D 9.25 4.45 0.00 2.84 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 53 E 8.45 3.89 0.00 1.95 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 2.33 2.30 0.00 54 K 7.79 4.32 0.00 1.74 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.25 7.81 55 T 7.99 5.05 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 1.20 0.00 0.00 56 A 8.56 4.17 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 57 A 8.31 3.95 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 58 D 7.93 4.70 0.00 2.56 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 59 Y 7.72 4.68 0.00 3.01 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 60 K 8.17 3.88 0.00 1.98 1.97 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 61 I 7.70 3.89 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.61 0.60 0.00 0.00 62 L 8.07 4.68 0.00 1.65 1.31 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.33 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.19 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 65 S 7.43 4.29 0.00 3.62 3.40 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 0.00 0.00 0.00 66 V 8.56 4.67 2.16 0.00 0.00 0.00 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 0.96 0.00 0.00 67 L 8.90 4.69 0.00 1.56 1.54 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.80 5.22 0.00 3.13 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 4.80 0.00 1.68 1.60 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.40 4.60 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 0.70 0.00 0.00 0.93 0.00 0.00 71 L 8.33 4.69 0.00 1.56 1.46 0.92 0.93 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 72 A 8.36 4.68 1.20 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 0.00 0.00 0.00 0.00 0.00 73 L 8.54 4.66 0.00 1.63 1.59 0.92 0.93 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 74 R 8.69 4.10 0.00 1.83 1.84 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 75 G 7.77 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 76 G 8.22 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.