NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1595 8.3344 116.7931 57.9195 64.4619 170.1148 5 L 3.3850 8.1753 128.6306 53.0578 39.1426 171.7185 6 K 4.7171 9.2286 125.2890 56.1671 34.0972 177.0655 7 K 4.4104 8.1500 118.5677 52.5780 32.3703 174.5103 8 G 3.8787 8.1776 107.7766 44.5313 0.0000 171.2954 9 V 4.2555 8.3418 114.9234 61.7883 31.9238 174.9316 10 F 4.0694 8.4618 108.8046 57.2524 37.2858 175.7733 11 V 3.4007 7.9822 123.2623 61.3429 30.5238 175.6009 12 D 4.5686 8.5421 125.0994 54.6390 41.8748 177.9659 13 D 4.5061 8.8270 120.9330 57.5000 40.9017 178.5793 14 H 4.1341 8.2849 113.4329 57.8531 28.7459 175.6767 15 L 4.4688 8.2275 121.7153 56.1854 42.9649 178.1122 16 L 3.8978 7.8721 118.4963 58.7753 41.4438 178.2403 17 E 3.6670 8.4380 116.1234 60.4025 28.9454 178.4376 18 K 3.6988 7.9578 118.0746 59.8067 32.4858 179.3631 19 V 3.4124 7.6606 117.6745 65.5347 31.3280 178.0038 20 L 4.0349 8.1338 119.4428 57.4598 41.3903 179.0038 21 E 3.9782 8.7648 118.8219 59.2882 29.7808 178.8370 22 L 4.2407 9.0256 118.3735 55.9541 41.6375 178.5918 23 N 4.4365 7.8317 117.9213 54.6413 38.6529 174.9437 24 A 4.5072 7.6782 124.6146 48.0680 15.6691 176.3769 25 K 3.8534 9.3122 117.9695 54.7593 31.4791 176.4796 26 G 4.6248 7.4628 107.6517 46.1469 0.0000 172.8225 27 E 4.9108 7.2069 131.1388 55.9875 29.7021 180.0041 28 K 4.7896 8.3392 135.0000 56.0973 30.6749 178.4426 29 R 4.3732 8.2768 125.6970 57.0970 32.2984 174.4184 30 L 3.8655 8.2941 121.6155 55.0978 42.3411 175.7745 31 I 4.2161 7.7229 126.7422 60.8977 40.5631 172.5313 32 K 4.4997 8.4916 127.2174 55.0677 34.1252 175.6283 33 T 4.8829 7.2718 114.7807 61.2101 70.1149 173.0996 34 W 5.0903 8.6766 115.5773 57.1176 34.0158 175.4257 35 S 4.6413 8.9261 114.7401 57.2743 60.9561 173.5436 36 R 4.4402 8.3562 124.9942 57.7483 30.6287 178.6878 37 R 4.2421 7.9463 116.3219 55.6542 29.2066 175.7560 38 S 4.4844 7.7764 111.0468 58.2256 67.0607 173.2878 39 T 4.5770 7.4112 116.8634 62.9072 69.4152 174.8966 40 I 3.9309 7.6328 123.8736 61.0475 38.0842 176.0065 41 V 3.9271 8.0544 125.0110 61.0722 32.4820 173.6870 42 P 4.1923 0.0000 0.0000 63.9027 31.6238 176.0340 43 E 3.8786 8.9745 122.0555 56.9832 27.7427 173.9008 44 M 4.6836 7.3373 114.8367 55.1169 32.6601 176.9393 45 V 3.6424 7.4147 111.7688 62.2657 32.4579 177.2100 46 G 3.8198 7.4839 112.3932 44.1725 0.0000 174.2505 47 H 4.3743 7.3838 116.6886 55.2844 26.7170 174.0499 48 T 4.1478 7.9092 112.2880 60.6892 67.4593 174.3849 49 I 4.2264 7.9860 128.6691 60.3502 38.7361 175.5335 50 A 4.4960 8.3488 130.6400 50.7727 17.5978 176.6659 51 V 3.7282 8.0549 120.8527 63.3237 33.3765 173.4625 52 Y 5.6553 8.6743 126.3373 55.4953 39.7428 174.9785 53 N 4.6706 9.2118 122.1606 52.2891 38.6473 174.1176 54 G 3.4144 6.3065 109.2806 45.1242 0.0000 173.3069 55 K 4.3613 6.7652 118.4854 56.9524 34.9004 176.4083 56 Q 4.4805 6.9226 116.6129 55.7828 32.1017 171.7187 57 H 5.0719 8.7644 117.6309 54.9719 30.0358 175.8739 58 V 3.9833 8.7258 119.5547 59.4345 31.3296 173.8201 59 P 4.3299 0.0000 0.0000 63.3708 31.7032 175.9124 60 V 4.5055 7.9091 125.4660 58.4750 33.3844 175.4649 61 Y 4.7029 8.9718 128.1131 55.6405 38.1961 177.7647 62 I 4.4668 7.3734 134.0915 61.2481 39.4166 171.6505 63 T 4.7449 7.7037 124.5666 60.0576 69.5413 173.2401 64 E 4.0927 8.5196 118.1025 59.1445 30.1674 178.6526 65 N 4.0144 7.9043 118.5120 54.9169 38.8880 174.5927 66 M 4.6530 7.6532 116.1127 53.8150 31.2353 175.0586 67 V 4.2491 8.1920 122.1029 64.3983 35.1540 177.7336 68 G 3.6760 8.1168 107.0118 48.3619 0.0000 173.5017 69 H 4.4225 8.0664 117.5963 55.3030 29.0044 175.7924 70 K 4.9370 8.7885 123.5807 56.1073 32.7363 177.4324 71 L 4.0063 8.8164 118.2349 58.4651 42.0228 179.7788 72 G 3.9934 7.8334 106.8503 48.8191 0.0000 174.1249 73 E 4.4825 7.7725 117.8508 56.5659 29.1138 177.3740 74 F 4.5480 8.6887 113.6630 57.3436 41.9196 174.4152 75 A 4.4859 7.9609 123.9959 49.8961 20.8580 174.4655 76 P 4.5165 0.0000 0.0000 62.9998 32.2425 176.1207 77 T 4.4353 8.4681 112.2592 61.3734 68.9869 173.7126 78 R 4.7488 7.5626 120.3651 54.8618 34.0368 174.0139 79 T 4.4602 8.4008 107.7428 61.6902 70.6893 172.9323 80 Y 3.9715 9.1072 126.5438 58.1250 36.2434 167.3821 81 R 4.4710 7.4709 123.1849 53.4266 33.8333 176.3291 *82 G 3.7274 8.5161 106.6767 46.4305 0.0000 172.7671 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 4 S 8.33 4.16 0.00 3.89 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 5 L 8.18 3.38 0.00 1.77 1.77 1.16 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.23 4.72 0.00 1.88 1.84 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.37 7.81 7 K 8.15 4.41 0.00 1.70 1.76 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.48 7.81 8 G 8.18 3.88 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 0.00 0.00 0.00 9 V 8.34 4.26 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 0.92 0.00 0.00 0.91 0.00 0.00 10 F 8.46 4.07 0.00 3.29 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 11 V 7.98 3.40 1.76 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 0.57 0.00 0.00 0.83 0.00 0.00 12 D 8.54 4.57 0.00 2.72 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 13 D 8.83 4.51 0.00 2.79 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 14 H 8.28 4.13 0.00 3.33 3.44 0.00 5.49 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.23 4.47 0.00 1.49 1.63 0.90 0.34 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 16 L 7.87 3.90 0.00 1.88 1.71 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.44 3.67 0.00 2.02 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 2.40 2.47 0.00 18 K 7.96 3.70 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.53 7.81 19 V 7.66 3.41 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 0.88 0.00 0.00 0.94 0.00 0.00 20 L 8.13 4.03 0.00 1.87 1.66 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.76 3.98 0.00 1.95 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 2.33 2.54 0.00 22 L 9.03 4.24 0.00 1.41 1.60 0.89 0.57 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 23 N 7.83 4.44 0.00 2.87 3.14 0.00 0.00 6.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.68 4.51 1.33 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 0.00 0.00 25 K 9.31 3.85 0.00 1.82 2.50 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.19 7.81 26 G 7.46 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.21 4.91 0.00 1.94 1.27 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 2.31 2.39 0.00 28 K 8.34 4.79 0.00 1.74 1.18 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.28 4.37 0.00 1.91 2.00 0.00 3.11 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 30 L 8.29 3.87 0.00 1.63 1.64 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.72 4.22 1.85 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 1.39 0.95 0.93 0.00 0.00 32 K 8.49 4.50 0.00 1.53 0.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.30 7.81 33 T 7.27 4.88 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 1.15 0.00 0.00 34 W 8.68 5.09 0.00 3.43 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 35 S 8.93 4.64 0.00 4.02 4.10 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 36 R 8.36 4.44 0.00 2.18 2.31 0.00 3.23 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 37 R 7.95 4.24 0.00 2.07 2.17 0.00 3.18 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 38 S 7.78 4.48 0.00 3.67 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 T 7.41 4.58 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 1.13 0.00 0.00 40 I 7.63 3.93 1.96 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.48 0.74 0.00 0.00 41 V 8.05 3.93 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 0.95 0.00 0.00 0.84 0.00 0.00 42 P 0.00 4.19 0.00 2.05 1.95 0.00 3.73 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 1.99 2.03 0.00 43 E 8.97 3.88 0.00 2.09 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 0.00 2.13 2.24 0.00 44 M 7.34 4.68 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 45 V 7.41 3.64 2.01 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 0.64 0.00 0.00 0.82 0.00 0.00 46 G 7.48 3.82 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 0.00 0.00 0.00 47 H 7.38 4.37 0.00 3.22 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.91 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 49 I 7.99 4.23 1.78 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 1.18 0.65 0.91 0.00 0.00 50 A 8.35 4.50 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.05 3.73 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 1.04 0.00 0.00 0.97 0.00 0.00 52 Y 8.67 5.66 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.21 4.67 0.00 2.88 2.79 0.00 0.00 6.21 7.00 0.00 0.00 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 G 6.31 3.41 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 0.00 55 K 6.77 4.36 0.00 1.58 1.57 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.30 7.81 56 Q 6.92 4.48 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 57 H 8.76 5.07 0.00 3.04 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.73 3.98 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 0.61 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.33 0.00 2.09 2.15 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 60 V 7.91 4.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 61 Y 8.97 4.70 0.00 3.01 2.34 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 62 I 7.37 4.47 1.56 0.00 0.00 0.52 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 0.61 0.42 0.00 0.00 63 T 7.70 4.74 4.41 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 1.36 0.00 0.00 64 E 8.52 4.09 0.00 2.20 2.14 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 2.38 2.36 0.00 65 N 7.90 4.01 0.00 2.78 3.00 0.00 0.00 6.80 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 66 M 7.65 4.65 0.00 2.36 2.63 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 67 V 8.19 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 68 G 8.12 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.07 4.42 0.00 3.70 3.47 0.00 5.72 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 70 K 8.79 4.94 0.00 1.94 2.23 0.00 2.33 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.86 1.63 7.81 71 L 8.82 4.01 0.00 1.78 1.76 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.83 3.99 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 0.00 0.00 0.00 73 E 7.77 4.48 0.00 2.13 1.71 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 2.32 2.34 0.00 74 F 8.69 4.55 0.00 3.09 3.04 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 75 A 7.96 4.49 1.25 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 0.00 0.00 0.00 76 P 0.00 4.52 0.00 2.17 2.05 0.00 3.75 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 1.95 1.93 0.00 77 T 8.47 4.44 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 1.25 0.00 0.00 78 R 7.56 4.75 0.00 1.77 1.88 0.00 3.15 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 79 T 8.40 4.46 4.28 0.00 0.00 0.00 0.00 0.00 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 80 Y 9.11 3.97 0.00 2.94 3.37 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 81 R 7.47 4.47 0.00 1.71 1.74 0.00 3.42 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 *82 G 8.52 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.