NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6437 8.2876 120.3914 56.1439 31.5010 174.7020 *2 D 4.4846 7.9582 120.1259 53.3947 41.8135 177.4892 3 E 3.9647 8.2523 119.1751 59.3662 29.4942 179.1736 4 Q 4.0996 7.6121 116.6560 58.7130 28.8199 178.6163 5 S 4.0766 7.9187 117.1774 61.5019 62.9309 176.1746 6 V 3.6092 7.8270 120.9637 66.2761 31.1984 177.7292 7 E 3.9642 8.1702 118.6910 59.2895 29.2136 178.9182 8 S 4.1433 8.0096 114.5936 61.5244 63.2767 176.4317 9 I 3.9005 7.9397 122.2726 64.4345 37.0518 178.3064 10 A 4.2083 8.4314 121.9571 55.2378 17.9111 179.3006 11 E 3.9116 8.0505 117.2087 59.3960 29.7657 178.8803 12 V 3.5316 7.3861 117.0587 64.8460 32.4151 176.9562 13 F 4.9327 7.8938 117.9283 56.7079 38.8014 175.4208 14 R 4.9742 7.0913 115.8707 54.0237 33.1892 175.9587 15 C 4.4186 8.9676 122.2097 59.1760 32.0210 174.3540 16 F 4.1556 8.8369 130.1497 61.4627 39.3220 176.5321 17 I 3.8167 7.9811 120.2590 63.6619 37.4775 175.5753 18 C 4.1762 7.1882 112.0760 58.7348 30.9750 174.3677 *20 E 4.3172 8.2852 116.5651 54.7735 31.9206 175.8105 21 K 4.4617 8.4950 119.8279 56.9045 33.4589 176.8681 22 L 4.2175 8.0494 122.1792 54.9312 42.4008 176.3988 23 R 4.3512 8.5703 123.5097 54.7832 32.6214 174.9795 24 D 4.4956 8.6565 126.6804 54.9172 37.7698 173.0501 25 A 4.5300 7.4901 121.1119 52.6608 20.2606 178.0967 26 R 4.8343 9.3268 119.9263 54.2121 34.6022 174.1187 27 L 5.1147 8.8223 124.7023 53.1015 45.2555 174.9184 28 C 4.4476 8.9686 127.5610 58.7417 31.8401 172.8147 29 P 4.4738 0.0000 0.0000 65.2926 31.2860 177.1105 30 H 4.6636 7.9351 114.2904 56.9560 29.2682 175.4642 31 C 4.6745 7.5893 110.3282 56.4385 30.8275 174.7743 32 S 4.0253 8.7037 114.1092 58.3422 61.9489 170.6180 33 K 4.0401 7.5888 120.6065 57.0324 33.1376 175.5531 34 L 5.1991 8.4299 123.1390 53.5748 44.2805 175.2582 35 C 5.2294 9.1803 119.5730 57.7514 33.0995 173.6797 36 C 4.7218 8.6947 118.0924 59.3918 28.6801 174.7643 37 F 4.1169 8.9238 125.3208 61.9284 38.9704 178.1234 38 S 3.9126 8.1651 113.9431 61.3530 62.5242 176.4686 39 C 4.1136 7.7621 119.1734 62.9273 28.0934 175.7732 40 I 3.7202 7.7932 120.1655 63.7376 37.3558 177.9017 41 R 3.6424 7.8382 119.9905 59.3480 29.8978 178.3036 42 R 3.8500 7.8415 118.4533 59.2716 29.9966 177.9799 43 W 4.0058 8.4620 128.2245 60.6408 30.5906 177.9128 44 L 4.5726 8.2805 119.5604 56.8795 41.1176 178.8197 45 T 4.3786 7.4022 113.8019 63.7622 69.6969 175.0298 46 E 4.4823 8.4678 117.6885 55.8705 31.5742 175.8659 47 Q 3.9755 7.9506 118.2685 54.8044 30.2073 175.4757 48 R 4.3741 6.4535 114.5698 55.6208 31.4285 174.2762 49 A 4.5018 7.7224 122.3119 51.9353 16.7358 176.5819 50 Q 5.1273 7.8651 118.2044 54.2280 34.0350 176.3154 51 C 4.2223 8.9349 122.8234 59.0606 31.9536 173.1877 52 P 3.8005 0.0000 0.0000 65.1969 31.2550 176.9580 53 H 4.0889 7.6139 117.9216 57.8819 29.7156 175.4391 54 C 4.1173 7.5833 111.8526 57.5240 30.3603 175.1998 55 R 4.1217 8.0024 117.8889 56.0337 28.5876 176.2363 56 A 4.1190 7.3348 120.0465 51.3395 19.3665 175.5203 57 P 4.6742 0.0000 0.0000 63.6217 32.3074 175.7553 58 L 4.5374 8.3933 121.2459 54.7867 45.7101 174.0396 59 Q 4.7556 8.9021 125.2593 53.5681 31.4760 176.1910 60 L 3.9504 8.6084 122.0156 58.5192 42.0390 179.3533 61 R 4.1846 7.8532 115.1316 57.9062 30.4121 177.0796 62 E 4.2079 8.0442 116.3360 57.6489 29.8491 177.1351 63 L 4.1885 7.4078 119.7174 54.7351 42.6010 176.6354 64 V 4.1894 8.5411 123.1448 61.3524 33.4458 174.3219 65 N 4.6716 8.6634 127.0461 53.4185 39.5736 174.6122 66 C 3.9192 8.2546 127.5773 57.9474 30.2194 173.9293 67 R 3.8248 7.8499 125.8552 58.1644 30.1926 178.0853 68 W 4.4958 6.9580 112.7345 57.0511 29.2429 177.8795 69 A 3.9377 7.2675 122.5175 55.3564 17.5734 179.1618 70 E 3.8547 8.0217 117.2708 59.1998 29.6997 178.4814 71 E 3.8805 8.1089 118.8484 59.3372 29.7868 178.5826 72 V 3.5256 7.8262 118.1976 66.5237 31.5556 178.0698 73 T 3.8699 8.2151 115.6294 66.6925 68.2439 176.7552 74 Q 3.9794 8.3841 120.1845 59.0018 28.7732 178.4853 75 Q 4.0066 8.4043 119.4862 59.1900 28.7949 179.1678 76 L 4.0424 8.2876 120.1068 57.8597 41.3805 179.3004 77 D 4.3964 7.7704 117.9445 57.7865 40.8398 178.6844 78 T 4.0299 7.6670 115.1561 66.5589 68.4653 176.4819 79 L 4.1724 7.6474 120.2698 57.3217 42.6595 178.8860 80 Q 4.1340 8.4446 118.2699 60.7548 26.6445 176.1983 81 L 4.0149 7.2418 123.7452 55.0686 41.5981 175.8263 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 H 8.29 4.64 0.00 3.16 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 7.96 4.48 0.00 2.92 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 3 E 8.25 3.96 0.00 2.06 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 0.00 2.42 2.40 0.00 4 Q 7.61 4.10 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 5 S 7.92 4.08 0.00 4.03 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 6 V 7.83 3.61 2.26 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 1.11 0.00 0.00 0.99 0.00 0.00 7 E 8.17 3.96 0.00 2.26 1.93 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 2.32 2.40 0.00 8 S 8.01 4.14 0.00 4.03 3.91 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 0.00 0.00 0.00 9 I 7.94 3.90 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 1.20 0.00 0.00 10 A 8.43 4.21 1.42 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 0.00 0.00 11 E 8.05 3.91 0.00 2.13 2.11 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 2.31 2.34 0.00 12 V 7.39 3.53 1.72 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 0.14 0.00 0.00 0.81 0.00 0.00 13 F 7.89 4.93 0.00 3.24 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 14 R 7.09 4.97 0.00 1.92 1.81 0.00 3.39 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 15 C 8.97 4.42 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.84 4.16 0.00 2.92 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 17 I 7.98 3.82 1.88 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 1.25 0.63 0.98 0.00 0.00 18 C 7.19 4.18 0.00 3.04 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 *20 E 8.29 4.32 0.00 1.96 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 2.43 2.27 0.00 21 K 8.50 4.46 0.00 1.81 1.85 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 22 L 8.05 4.22 0.00 1.75 1.68 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.57 4.35 0.00 1.88 1.79 0.00 3.35 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 24 D 8.66 4.50 0.00 2.96 2.64 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 25 A 7.49 4.53 1.15 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 26 R 9.33 4.83 0.00 1.79 1.80 0.00 3.32 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 27 L 8.82 5.11 0.00 1.59 1.55 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.97 4.45 0.00 2.95 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 29 P 0.00 4.47 0.00 1.82 2.01 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.22 0.00 30 H 7.94 4.66 0.00 3.13 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.59 4.67 0.00 3.02 2.96 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 0.00 0.00 0.00 32 S 8.70 4.03 0.00 4.16 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 33 K 7.59 4.04 0.00 1.43 1.50 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.56 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.19 0.63 7.81 34 L 8.43 5.20 0.00 1.62 1.59 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.18 5.23 0.00 2.75 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 36 C 8.69 4.72 0.00 3.01 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 37 F 8.92 4.12 0.00 3.31 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 38 S 8.17 3.91 0.00 3.94 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 39 C 7.76 4.11 0.00 3.12 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 40 I 7.79 3.72 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 1.38 1.49 0.89 0.00 0.00 41 R 7.84 3.64 0.00 1.00 1.58 0.00 3.11 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 42 R 7.84 3.85 0.00 2.00 2.14 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 43 W 8.46 4.01 0.00 3.51 3.20 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 44 L 8.28 4.57 0.00 1.67 1.78 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.40 4.38 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 46 E 8.47 4.48 0.00 1.88 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 2.18 2.15 0.00 47 Q 7.95 3.98 0.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.18 0.00 48 R 6.45 4.37 0.00 1.98 1.84 0.00 3.25 0.00 0.00 3.55 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 49 A 7.72 4.50 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 50 Q 7.87 5.13 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 51 C 8.93 4.22 0.00 2.97 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 52 P 0.00 3.80 0.00 1.57 0.49 0.00 3.49 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 53 H 7.61 4.09 0.00 1.40 2.57 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.58 4.12 0.00 3.03 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 55 R 8.00 4.12 0.00 2.01 2.18 0.00 3.18 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 56 A 7.33 4.12 1.18 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 0.00 0.00 57 P 0.00 4.67 0.00 1.94 2.04 0.00 3.67 0.00 0.00 3.57 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 58 L 8.39 4.54 0.00 1.82 1.55 0.94 0.51 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 59 Q 8.90 4.76 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 60 L 8.61 3.95 0.00 1.74 1.74 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.85 4.18 0.00 1.86 1.99 0.00 3.27 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 62 E 8.04 4.21 0.00 1.97 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 2.36 2.30 0.00 63 L 7.41 4.19 0.00 1.68 1.63 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.54 4.19 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 0.89 0.00 0.00 0.91 0.00 0.00 65 N 8.66 4.67 0.00 2.73 2.67 0.00 0.00 7.09 7.65 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 66 C 8.25 3.92 0.00 2.67 2.36 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 0.00 67 R 7.85 3.82 0.00 1.80 1.95 0.00 3.24 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 68 W 6.96 4.50 0.00 3.49 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 69 A 7.27 3.94 1.05 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 70 E 8.02 3.85 0.00 2.01 1.93 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 2.37 2.35 0.00 71 E 8.11 3.88 0.00 2.14 2.11 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 2.41 2.44 0.00 72 V 7.83 3.53 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 0.58 0.00 0.00 0.88 0.00 0.00 73 T 8.22 3.87 4.49 0.00 0.00 0.00 0.00 0.00 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 74 Q 8.38 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 75 Q 8.40 4.01 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 76 L 8.29 4.04 0.00 1.86 1.76 1.07 1.09 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 77 D 7.77 4.40 0.00 2.92 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 78 T 7.67 4.03 4.42 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 1.21 0.00 0.00 79 L 7.65 4.17 0.00 1.81 1.74 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.44 4.13 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.14 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 81 L 7.24 4.01 0.00 1.72 1.98 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.