NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.4061 8.4293 120.2251 56.8921 29.8161 173.4691 1 C 4.9370 8.5009 117.0042 53.4031 42.9547 171.3331 2 K 4.8922 9.7024 121.9254 55.2945 35.8991 176.0598 3 T 4.5098 8.4839 117.6767 62.5244 70.0430 174.4689 4 G 3.8394 8.8722 117.8070 45.1060 0.0000 173.5792 5 N 4.5525 8.6752 117.5900 53.2948 37.1986 175.2629 6 G 3.5433 7.9370 107.6178 46.8004 0.0000 176.4464 7 K 3.9256 8.4077 122.4282 58.8524 32.4260 176.9155 8 N 4.6774 7.9612 112.6915 52.8514 39.0751 174.0083 9 Y 4.1077 7.7265 120.6946 58.2382 38.7114 176.5475 10 R 4.3504 7.7488 128.6301 55.5160 31.1536 176.5561 11 G 3.4567 5.3800 106.8673 45.1523 0.0000 174.2783 12 T 3.3099 7.5261 113.4214 62.8406 69.3930 174.6425 13 M 4.3620 7.9441 122.8905 55.5983 32.6925 176.6910 14 S 5.2199 8.9989 115.2137 56.3955 64.2635 173.2301 15 K 4.9650 7.8970 118.1306 55.7149 35.4992 175.9294 16 T 4.4764 9.0055 112.5348 60.1994 70.1630 175.5531 17 K 3.9778 8.6010 120.6918 59.3777 32.0174 177.3750 18 N 4.8474 8.0671 117.1892 52.5408 38.8214 175.0960 19 G 4.5472 8.0843 104.5934 46.3822 0.0000 173.5857 20 I 4.3578 6.9723 118.9243 58.7335 39.8561 174.5701 21 T 4.5338 8.2543 122.2956 61.9940 68.3661 174.3106 22 C 4.8025 8.9504 126.7259 57.2898 41.0541 172.9175 23 Q 4.5130 8.8984 124.1453 54.5101 29.9977 175.8164 24 K 4.2559 8.4205 124.6934 55.7851 32.6173 178.2190 25 W 4.4485 8.8360 123.4856 59.1521 29.4003 177.5183 26 S 4.4138 8.1569 112.4914 60.5091 63.1948 174.9474 27 S 4.3436 7.5812 114.5947 58.4108 62.5514 173.2075 28 T 4.6864 8.3911 112.7786 59.6621 69.0630 173.6542 29 S 4.6485 7.5082 113.3073 57.1671 65.8032 172.7526 30 P 4.2847 0.0000 0.0000 64.8304 31.7317 175.9245 31 H 4.8281 7.8980 116.0267 53.8212 31.0948 173.3237 32 R 4.2779 8.1224 122.5167 53.7714 30.3011 174.3057 33 P 3.4497 0.0000 0.0000 62.5046 32.0144 176.7230 34 R 4.1254 8.5403 119.3570 57.0171 30.6709 176.7521 35 F 4.7159 7.8916 116.6934 55.5314 42.8858 174.0375 *37 S 4.6326 8.5515 117.6943 57.3210 63.9072 172.8967 38 P 4.1960 0.0000 0.0000 65.3422 31.0561 177.5154 39 A 4.2207 7.6218 120.2079 54.2019 18.7569 178.1894 40 T 4.4100 7.9957 110.8700 64.7822 70.5565 174.7483 41 H 4.9444 8.3063 117.6763 53.1041 28.8349 172.3851 42 P 4.2700 0.0000 0.0000 65.4316 31.6585 178.3208 43 S 4.4108 7.9503 110.8381 58.7249 63.3041 174.0933 44 E 4.1829 8.0749 120.0926 55.8703 29.5879 176.0318 45 G 3.7415 7.8642 106.4086 46.7740 0.0000 174.3503 46 L 3.6947 7.6371 116.7539 53.4119 40.8525 177.0000 47 E 4.5951 7.7300 117.0893 55.7363 32.4914 176.1666 48 E 3.5745 8.3989 120.2635 57.8953 28.3675 175.7924 49 N 4.7772 7.6876 116.3094 53.4337 37.5568 173.4879 50 Y 5.3760 7.2762 113.9146 58.1098 40.2185 176.1445 51 C 4.7617 8.9837 119.8474 57.6516 42.0846 173.1915 52 R 4.6209 8.8409 123.3190 54.4292 34.1508 174.6605 53 N 5.2885 7.7594 114.2759 52.3358 38.5147 173.6332 54 P 4.2514 0.0000 0.0000 64.1215 31.9990 177.5779 55 D 4.7000 7.5851 116.8251 52.0214 40.0504 174.8595 56 N 4.3287 7.8746 115.0323 53.5615 37.9231 174.1097 57 D 4.5324 9.1837 117.0522 53.5919 42.0295 175.0003 58 P 4.3929 0.0000 0.0000 65.0531 31.7064 176.9908 59 Q 3.9137 8.7854 117.2723 55.9499 29.0068 176.1389 60 G 4.3653 7.8224 104.9954 43.1917 0.0000 170.7932 61 P 4.6031 0.0000 0.0000 63.3956 32.3753 176.0135 62 W 5.8258 8.5026 120.6175 55.6933 32.1396 170.9721 63 C 4.4694 8.8506 111.5604 54.4499 43.0738 173.0529 64 Y 4.5912 7.2741 117.7814 58.6070 38.6873 175.7762 65 T 4.7825 9.0681 120.9856 63.0907 70.2205 174.7380 66 T 4.3783 8.0451 110.8386 61.7510 70.2650 174.2136 67 D 4.6375 7.9894 123.6492 52.2186 41.3304 174.6787 68 P 4.2411 0.0000 0.0000 65.4474 31.0388 176.7224 69 E 4.3546 8.1186 115.7501 55.8106 29.7854 175.5632 70 K 4.3191 8.4005 120.8383 54.1742 33.2345 175.5498 71 R 3.5495 8.1224 127.8113 58.2476 30.5466 175.8544 72 Y 5.3379 6.7686 114.4819 53.9778 42.1066 173.0079 73 D 3.9604 8.0697 115.6194 53.6156 44.3905 174.9893 74 Y 5.0221 8.0240 121.2898 58.4880 39.4896 175.1335 75 C 5.0993 9.6257 119.6551 55.4484 42.7706 174.7563 76 D 4.5038 8.6524 122.7876 53.2393 39.3718 173.7121 77 I 4.1306 7.5386 122.7511 59.1084 38.5151 175.8841 78 L 4.0630 8.4797 125.1683 55.1911 42.5973 176.2816 79 E 4.2677 8.7918 124.3685 56.3930 30.5406 176.9148 80 C 4.5493 9.3836 126.7538 56.6213 44.3703 173.1127 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 0 E 8.43 4.41 0.00 2.01 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 2.27 2.17 0.00 1 C 8.50 4.94 0.00 3.04 3.05 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 2 K 9.70 4.89 0.00 1.54 1.64 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.21 7.81 3 T 8.48 4.51 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 4 G 8.87 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 5 N 8.68 4.55 0.00 3.16 3.08 0.00 0.00 5.94 7.26 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 6 G 7.94 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.41 3.93 0.00 1.72 1.86 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.51 7.81 8 N 7.96 4.68 0.00 2.76 2.81 0.00 0.00 6.83 7.46 0.00 0.00 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 Y 7.73 4.11 0.00 3.08 2.99 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 10 R 7.75 4.35 0.00 1.61 1.71 0.00 3.34 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 11 G 5.38 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.31 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 1.12 0.00 0.00 13 M 7.94 4.36 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 14 S 9.00 5.22 0.00 4.04 4.40 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 15 K 7.90 4.97 0.00 1.96 1.80 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 16 T 9.01 4.48 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 17 K 8.60 3.98 0.00 1.92 2.19 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.46 7.81 18 N 8.07 4.85 0.00 2.73 2.82 0.00 0.00 6.73 8.25 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 19 G 8.08 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 6.97 4.36 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 1.19 1.42 0.91 0.00 0.00 21 T 8.25 4.53 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 1.22 0.00 0.00 22 C 8.95 4.80 0.00 3.11 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 23 Q 8.90 4.51 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 24 K 8.42 4.26 0.00 1.83 1.75 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.36 7.81 25 W 8.84 4.45 0.00 3.29 3.33 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 26 S 8.16 4.41 0.00 4.02 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 27 S 7.58 4.34 0.00 3.79 4.03 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 28 T 8.39 4.69 4.20 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 1.20 0.00 0.00 29 S 7.51 4.65 0.00 3.95 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 30 P 0.00 4.28 0.00 1.94 2.12 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 31 H 7.90 4.83 0.00 3.27 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.12 4.28 0.00 1.69 1.76 0.00 3.20 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 33 P 0.00 3.45 0.00 2.64 2.01 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 34 R 8.54 4.13 0.00 1.78 1.17 0.00 3.06 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 35 F 7.89 4.72 0.00 3.33 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 *37 S 8.55 4.63 0.00 4.18 4.22 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 38 P 0.00 4.20 0.00 2.21 2.23 0.00 3.85 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 2.04 2.22 0.00 39 A 7.62 4.22 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 40 T 8.00 4.41 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 1.45 0.00 0.00 41 H 8.31 4.94 0.00 3.17 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.27 0.00 2.14 2.18 0.00 3.48 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 1.98 2.08 0.00 43 S 7.95 4.41 0.00 3.97 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 44 E 8.07 4.18 0.00 1.97 1.75 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 2.25 2.32 0.00 45 G 7.86 3.74 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 0.00 0.00 0.00 46 L 7.64 3.69 0.00 1.42 1.46 0.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 4.60 0.00 2.13 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 2.57 2.56 0.00 48 E 8.40 3.57 0.00 1.16 1.12 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 1.97 1.91 0.00 49 N 7.69 4.78 0.00 2.76 2.86 0.00 0.00 5.93 7.57 0.00 0.00 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 Y 7.28 5.38 0.00 3.09 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 51 C 8.98 4.76 0.00 3.03 3.10 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 0.00 0.00 0.00 52 R 8.84 4.62 0.00 1.12 1.44 0.00 3.50 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.29 0.00 53 N 7.76 5.29 0.00 2.69 2.59 0.00 0.00 6.67 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 54 P 0.00 4.25 0.00 0.91 1.52 0.00 3.34 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.00 55 D 7.59 4.70 0.00 2.76 2.32 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 56 N 7.87 4.33 0.00 2.82 2.88 0.00 0.00 7.09 8.21 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 57 D 9.18 4.53 0.00 2.97 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 58 P 0.00 4.39 0.00 2.21 2.17 0.00 3.86 0.00 0.00 3.69 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 59 Q 8.79 3.91 0.00 1.35 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 60 G 7.82 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.60 0.00 1.96 1.94 0.00 3.51 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 62 W 8.50 5.83 0.00 3.46 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 63 C 8.85 4.47 0.00 2.59 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 64 Y 7.27 4.59 0.00 2.64 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 65 T 9.07 4.78 4.63 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 1.30 0.00 0.00 66 T 8.05 4.38 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 1.23 0.00 0.00 67 D 7.99 4.64 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.20 2.16 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 69 E 8.12 4.35 0.00 1.99 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 0.00 2.28 2.23 0.00 70 K 8.40 4.32 0.00 1.65 1.68 0.00 1.57 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.38 7.81 71 R 8.12 3.55 0.00 1.86 1.91 0.00 3.28 0.00 0.00 3.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 72 Y 6.77 5.34 0.00 2.86 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 73 D 8.07 3.96 0.00 2.59 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.02 5.02 0.00 3.09 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 75 C 9.63 5.10 0.00 2.85 2.99 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 76 D 8.65 4.50 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.13 1.60 0.00 0.00 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 1.16 0.18 0.53 0.00 0.00 78 L 8.48 4.06 0.00 1.65 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.79 4.27 0.00 1.97 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 2.27 2.24 0.00 80 C 9.38 4.55 0.00 3.24 2.94 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 * Residues marked with a * may have inaccurate shift predictions.