NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 D 4.6645 8.3493 119.5730 52.8081 41.0084 176.1328 1 C 5.1735 9.2218 109.9320 53.2801 46.3763 171.9327 2 Y 5.1107 9.2052 117.8669 55.5854 41.4165 175.5562 3 H 4.9294 9.0312 117.4248 54.8415 31.6418 177.3382 4 G 3.9608 8.9413 111.4262 47.2020 0.0000 174.0420 5 D 4.8548 9.2163 124.8631 52.2966 40.0631 177.1948 6 G 3.9459 8.8127 108.2746 46.8875 0.0000 176.0463 7 Q 4.1182 8.2933 119.7792 57.7198 28.7223 177.3341 8 S 4.5196 7.9413 110.4566 58.0861 63.8698 173.5915 9 Y 4.2337 7.8195 123.9202 58.3828 38.6170 175.6450 10 R 4.2800 7.8414 125.8182 55.6043 31.2205 176.0182 11 G 3.3584 5.4952 110.2165 46.3592 0.0000 174.5715 12 T 3.3569 7.8774 109.2028 59.9739 69.2673 171.6379 13 S 4.5050 8.2106 118.6161 60.4970 63.4989 175.4661 14 S 5.0254 8.4282 118.5848 58.0351 63.5221 173.0027 15 T 5.1661 8.1354 114.3698 61.4230 70.8940 173.2885 16 T 4.4942 8.7769 118.8286 61.1722 70.2544 175.5771 17 T 3.9236 8.5605 118.7510 66.3872 68.4463 175.5535 18 T 4.3138 7.9715 108.7744 61.0531 69.0314 175.3114 19 G 3.9531 8.2508 109.6059 45.5381 0.0000 174.3191 20 K 4.2516 7.5960 119.5116 56.0744 33.5228 175.9757 21 K 4.6071 8.4239 123.6055 55.6275 33.8690 176.5518 22 C 4.8575 8.7079 124.7125 56.8211 40.8566 173.4710 23 Q 4.2683 8.7504 124.4940 55.6899 29.9133 176.0141 24 S 4.3172 8.4090 120.9209 58.0413 63.6206 175.7242 25 W 4.4133 8.3869 124.9176 59.6818 28.9189 177.6549 26 S 4.4255 8.1159 110.7818 59.3030 63.2280 174.0641 27 S 4.5281 7.5611 115.6404 57.9491 63.0467 173.2303 28 M 4.5491 8.4211 123.9681 55.0772 32.1214 175.6610 29 T 4.6154 7.6573 113.2354 59.6716 70.2688 172.1467 30 P 4.4222 0.0000 0.0000 63.8307 32.0532 175.5077 31 H 4.8914 8.2250 117.0434 54.0260 31.0113 173.9959 32 R 4.3370 8.3234 122.9343 56.0991 31.0364 174.9707 33 H 4.5734 7.7347 114.2085 55.8086 30.6103 173.3848 34 Q 4.6682 8.8528 115.5883 55.8952 29.6663 177.5709 35 K 4.3881 8.2552 120.6124 55.0739 30.9174 175.5161 *37 T 5.0405 7.1894 110.4950 60.6925 70.3057 174.2009 38 P 4.2616 0.0000 0.0000 66.2819 31.6114 178.6162 39 E 4.1846 8.2130 113.4577 58.6965 29.9183 182.0920 40 N 4.5460 7.8713 115.2170 55.2308 39.5203 175.1678 41 Y 4.5558 8.2895 116.0777 54.9184 38.0679 174.1629 42 P 4.3692 0.0000 0.0000 65.0659 31.9100 177.9177 43 N 4.6951 8.0341 113.5504 52.9996 38.8214 175.1160 44 A 4.1019 7.9359 120.7096 51.9726 18.9336 177.7906 45 G 3.8382 7.8953 103.2075 46.4503 0.0000 176.0199 46 L 3.7785 7.6836 119.9804 53.9673 39.3903 176.5312 47 T 4.7530 7.7092 111.8093 60.3847 73.2755 176.6480 48 M 2.9549 7.9801 122.6822 56.8926 31.4218 177.9800 49 N 4.8176 7.8574 121.7064 53.4284 37.7671 174.0586 50 Y 4.8437 7.2398 116.2109 58.7735 38.5550 175.3440 51 C 4.7798 9.1299 121.7127 57.9339 40.3179 173.3569 52 R 4.5553 8.9737 121.1520 55.0506 35.1830 174.0867 53 N 4.8219 7.9933 115.8621 51.7020 38.1305 172.9573 54 P 4.1454 0.0000 0.0000 64.7380 32.0131 177.8495 55 D 4.7370 8.2099 115.7923 51.9996 39.8521 175.9801 56 A 3.7512 7.3485 118.9828 53.7312 16.6087 176.6903 57 D 4.7891 7.4912 120.7455 53.5061 44.0234 175.5359 58 K 3.9458 8.6585 116.1671 59.4833 32.8154 176.5957 *60 G 3.9157 7.5822 106.6665 44.0010 0.0000 170.2207 61 P 4.6690 0.0000 0.0000 62.6441 32.6086 175.8932 62 W 5.7896 8.9855 119.7288 56.0906 32.5469 170.6352 63 C 4.4932 9.1119 112.5967 54.0557 40.7811 173.5311 64 F 4.9012 7.8815 118.8852 58.0957 39.8309 174.7449 65 T 4.9818 8.5432 118.9790 62.2636 70.3953 174.7870 66 T 4.3344 8.6163 113.6316 62.1175 69.8700 173.8279 67 D 4.7130 7.9424 123.4385 52.4423 42.1536 175.3063 68 P 4.2830 0.0000 0.0000 65.7915 31.3516 177.4946 69 S 4.2773 8.8832 113.7595 59.4635 63.0689 174.1129 70 V 4.1947 7.4938 118.9237 60.6208 33.2117 174.8700 71 R 3.6961 8.6665 128.5168 58.6113 30.1891 175.8533 72 W 5.5689 7.2116 110.9712 55.7888 31.0675 172.8557 73 E 3.9278 8.8607 119.2338 54.8666 34.3461 174.3393 74 Y 4.8464 8.2380 118.1853 58.4452 39.3256 176.2644 75 C 4.9700 8.8757 119.1730 56.5829 41.7430 174.2979 76 N 4.7343 8.9718 121.5583 52.9026 36.8461 173.5446 77 L 4.8150 8.1014 123.5366 53.3224 46.4425 175.7109 *78 K 4.5627 8.7098 127.6910 54.2456 34.5386 176.1212 79 K 3.4512 8.4118 125.5708 54.7911 31.8007 178.3596 80 C 4.0601 8.2156 123.3733 56.0200 40.3831 174.6405 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 D 8.35 4.66 0.00 2.71 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 1 C 9.22 5.17 0.00 3.02 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 2 Y 9.21 5.11 0.00 2.99 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 3 H 9.03 4.93 0.00 3.17 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.94 3.96 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 0.00 0.00 0.00 5 D 9.22 4.85 0.00 3.17 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 6 G 8.81 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 7 Q 8.29 4.12 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 8 S 7.94 4.52 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.23 0.00 3.02 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 10 R 7.84 4.28 0.00 1.62 1.70 0.00 3.36 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 11 G 5.50 3.36 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 0.00 0.00 0.00 12 T 7.88 3.36 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 13 S 8.21 4.50 0.00 4.07 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 14 S 8.43 5.03 0.00 4.03 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 0.00 15 T 8.14 5.17 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 1.25 0.00 0.00 16 T 8.78 4.49 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 1.28 0.00 0.00 17 T 8.56 3.92 4.44 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 1.24 0.00 0.00 18 T 7.97 4.31 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 1.18 0.00 0.00 19 G 8.25 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 20 K 7.60 4.25 0.00 1.67 1.74 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 21 K 8.42 4.61 0.00 1.84 1.65 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 C 8.71 4.86 0.00 2.94 2.78 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 23 Q 8.75 4.27 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 24 S 8.41 4.32 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 4.41 0.00 3.29 3.22 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 26 S 8.12 4.43 0.00 4.01 4.04 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 27 S 7.56 4.53 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 4.55 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 29 T 7.66 4.62 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 1.18 0.00 0.00 30 P 0.00 4.42 0.00 1.89 2.03 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 31 H 8.23 4.89 0.00 3.10 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.32 4.34 0.00 1.74 1.78 0.00 3.23 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 33 H 7.73 4.57 0.00 3.00 2.40 0.00 5.48 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.85 4.67 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.42 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 35 K 8.26 4.39 0.00 2.42 1.80 0.00 1.87 0.00 0.00 2.39 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 0.96 7.81 *37 T 7.19 5.04 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 1.27 0.00 0.00 38 P 0.00 4.26 0.00 2.07 2.16 0.00 3.75 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 2.07 2.36 0.00 39 E 8.21 4.18 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 2.23 1.90 0.00 40 N 7.87 4.55 0.00 3.02 2.75 0.00 0.00 6.83 7.34 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 41 Y 8.29 4.56 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.15 2.17 0.00 3.66 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 1.94 1.95 0.00 43 N 8.03 4.70 0.00 2.73 2.87 0.00 0.00 6.88 7.35 0.00 0.00 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 A 7.94 4.10 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 45 G 7.90 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 46 L 7.68 3.78 0.00 1.40 1.40 -0.20 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.71 4.75 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 1.26 0.00 0.00 48 M 7.98 2.95 0.00 1.68 0.57 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 49 N 7.86 4.82 0.00 2.72 2.67 0.00 0.00 5.91 7.55 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 50 Y 7.24 4.84 0.00 3.10 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 51 C 9.13 4.78 0.00 3.05 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 52 R 8.97 4.56 0.00 1.05 1.45 0.00 3.30 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.43 0.00 53 N 7.99 4.82 0.00 2.72 2.61 0.00 0.00 6.65 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 4.15 0.00 1.14 1.41 0.00 3.26 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.00 55 D 8.21 4.74 0.00 2.85 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 56 A 7.35 3.75 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 57 D 7.49 4.79 0.00 2.51 2.72 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 58 K 8.66 3.95 0.00 1.94 2.05 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.19 7.81 *60 G 7.58 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 61 P 0.00 4.67 0.00 1.93 1.93 0.00 2.35 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.68 0.00 62 W 8.99 5.79 0.00 3.63 3.23 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 0.00 63 C 9.11 4.49 0.00 2.50 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 64 F 7.88 4.90 0.00 2.82 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 65 T 8.54 4.98 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 66 T 8.62 4.33 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 1.25 0.00 0.00 67 D 7.94 4.71 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 2.19 2.15 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 69 S 8.88 4.28 0.00 4.07 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 70 V 7.49 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 0.67 0.00 0.00 0.88 0.00 0.00 71 R 8.67 3.70 0.00 1.93 2.03 0.00 3.41 0.00 0.00 3.67 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.82 0.00 72 W 7.21 5.57 0.00 3.42 2.85 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 73 E 8.86 3.93 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 74 Y 8.24 4.85 0.00 3.04 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 75 C 8.88 4.97 0.00 3.05 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 76 N 8.97 4.73 0.00 2.86 2.89 0.00 0.00 6.93 7.32 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 77 L 8.10 4.81 0.00 1.55 1.66 0.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *78 K 8.71 4.56 0.00 1.44 1.67 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.00 7.81 79 K 8.41 3.45 0.00 1.54 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.35 1.04 7.81 80 C 8.22 4.06 0.00 2.63 2.92 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 * Residues marked with a * may have inaccurate shift predictions.