NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.5475 8.3449 118.3641 58.0524 30.0474 173.2148 3 S 5.0570 7.1351 122.4821 58.6680 64.9070 177.1061 *4 F 4.6667 8.6858 122.4418 57.2596 39.1549 176.3619 5 E 4.3983 8.1184 120.3173 59.0112 30.7698 181.8662 6 S 4.3583 8.3313 115.3753 62.1494 62.3320 176.5116 7 L 3.9409 7.3651 123.5675 60.0324 40.6456 180.9686 8 V 3.8910 7.5336 116.6959 66.3560 31.5296 177.8890 9 D 4.4986 8.0919 120.4089 57.2807 40.7048 178.7178 10 Q 4.2156 8.0842 120.1145 58.6893 28.1403 182.5048 11 R 4.6306 8.0768 117.8857 59.6714 31.5538 177.4866 12 I 3.8152 8.0710 120.9275 65.2722 36.6114 178.7155 13 K 4.4576 8.4007 124.4956 55.3498 31.1808 181.0072 14 E 4.9901 8.8772 112.0924 57.3072 32.2295 178.4482 15 A 4.7256 7.9611 124.1166 53.4235 21.2759 179.6106 16 L 4.0924 8.2671 115.5337 58.0830 41.9072 178.9552 17 S 4.2019 8.2012 115.0330 61.7437 63.2756 176.0954 18 R 4.5874 7.3634 116.2436 56.1231 30.6437 179.3988 19 Q 4.3626 8.3162 126.3886 58.0990 27.4704 178.5024 20 E 4.6936 9.4696 106.8866 57.1879 31.1017 175.0746 21 P 3.9883 0.0000 0.0000 61.5364 31.0682 176.2264 22 K 4.2575 8.4218 125.0777 56.5260 33.0774 175.4858 23 T 4.7671 8.3041 117.5546 60.5390 71.2806 172.7090 24 I 4.4744 8.3179 127.2021 60.9991 38.3344 175.1886 25 S 4.8442 9.5486 120.3805 56.8161 65.7906 171.9451 26 C 5.6397 8.3205 121.1277 55.9376 43.7718 172.9144 27 T 4.3186 8.5410 111.6227 61.8087 70.9245 172.1139 28 S 5.1293 8.7560 123.1202 57.5129 64.8529 173.6096 29 V 4.4621 8.6377 122.6692 61.4354 34.2066 174.4008 30 T 5.3046 8.5259 123.2839 62.0901 71.9095 173.4504 31 S 4.8641 9.1551 120.4616 56.6494 67.7458 174.0385 32 S 4.4480 8.6985 117.8771 59.5153 63.6134 175.1947 33 G 3.9108 9.3231 107.0948 44.7589 0.0000 174.8333 34 R 4.7529 8.5833 119.7892 55.7487 30.9640 175.4135 35 L 5.9154 7.9053 117.4679 52.6950 45.7222 175.5459 36 A 4.6375 8.0469 119.4825 51.3417 22.5071 175.4883 37 S 5.1371 8.5111 116.4002 56.9679 66.5530 174.7757 38 C 4.6484 8.9392 121.8188 55.7749 39.5639 172.0195 39 P 4.4815 0.0000 0.0000 61.7260 31.9043 175.7733 40 A 4.1596 8.1549 122.7794 53.8179 18.6846 177.9833 41 G 4.0703 9.5636 109.6982 45.3522 0.0000 173.1635 42 M 4.9955 7.2542 117.5345 53.3840 35.8240 175.2830 43 V 4.2337 8.4425 115.9272 60.3957 33.9577 175.2303 44 V 4.5486 8.2926 123.9181 62.4956 32.0109 175.6247 45 T 4.5136 9.5237 117.3520 60.7085 69.7135 174.4819 46 G 4.0059 6.8111 113.2395 45.6917 0.0000 171.6019 47 C 5.0387 6.1096 115.3593 54.6567 44.9514 173.5560 48 A 4.8960 8.3691 122.1598 50.5652 22.0577 174.6575 49 C 4.3838 8.1773 115.0798 54.8521 40.1159 174.2086 50 G 2.8694 6.9809 108.3672 45.1824 0.0000 173.3674 51 Y 3.8936 8.8442 113.1791 58.1045 36.1028 171.5235 52 G 3.8574 7.4605 105.4518 46.6340 0.0000 173.9184 53 C 4.6782 7.7721 114.2976 55.7204 41.6781 175.0599 54 G 3.5208 8.6912 113.7064 47.1509 0.0000 173.2759 55 S 4.5361 7.9327 117.2739 57.5515 63.7001 173.2296 56 W 5.4716 7.8072 120.7649 55.6871 30.8352 173.1604 57 D 5.0961 9.3674 119.7944 52.2591 43.1057 173.8123 58 I 5.1374 8.5548 119.7987 59.8267 39.2978 175.3437 59 R 4.5802 9.0072 126.2330 55.0339 33.2325 176.0938 60 N 4.0947 9.8704 117.3118 54.0632 36.3316 175.4583 61 G 4.0199 9.5522 104.6414 45.7168 0.0000 174.4781 62 N 4.9933 8.3870 113.2478 53.3380 41.5080 173.8588 63 T 4.9813 7.8246 117.0040 62.0106 72.2933 173.6767 64 C 4.7707 9.5795 125.8137 57.1406 39.3687 172.4697 65 H 5.2646 9.5316 125.7241 54.3680 30.5218 172.6109 66 C 4.9111 8.9524 124.3946 56.2675 40.6965 174.2235 67 Q 4.4894 8.2118 122.3921 55.3433 27.1951 174.8974 68 C 4.8642 8.2499 121.7192 58.3931 39.8676 174.4386 69 S 4.3852 8.7116 116.7037 60.5453 63.7741 173.9904 70 V 3.9981 7.4142 118.2794 61.7542 32.0190 175.1636 71 M 4.7126 8.3551 125.9610 53.9108 32.4229 174.3908 72 D 4.1088 7.4802 120.6256 54.9029 41.3851 176.9401 73 W 5.9293 7.6074 113.1148 56.0915 32.4851 172.9871 74 A 4.9032 9.6098 121.4288 50.6089 22.8162 175.0236 75 S 5.1964 9.0553 112.7117 56.6948 66.4101 172.7001 76 A 5.0685 9.1391 127.7924 50.0791 22.3237 174.9030 77 R 4.7536 8.6656 120.9298 54.7241 32.5843 174.2704 78 C 5.6425 9.2190 123.3206 55.5101 44.3237 172.4389 79 C 5.7378 9.3324 119.4204 55.6767 43.1699 173.0622 80 R 4.9922 8.9553 117.0919 55.4025 33.3154 173.3875 81 M 4.7769 8.5535 119.0710 54.4068 33.2657 176.5526 82 A 4.4005 9.5882 125.8041 51.9810 19.5633 175.9875 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 C 8.34 4.55 0.00 2.98 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 3 S 7.14 5.06 0.00 4.04 3.80 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 *4 F 8.69 4.67 0.00 2.27 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 5 E 8.12 4.40 0.00 1.88 1.97 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 2.26 1.85 0.00 6 S 8.33 4.36 0.00 3.88 4.09 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 7 L 7.37 3.94 0.00 1.77 1.62 0.92 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 8 V 7.53 3.89 2.23 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 1.05 0.00 0.00 0.97 0.00 0.00 9 D 8.09 4.50 0.00 2.80 2.70 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 0.00 0.00 0.00 10 Q 8.08 4.22 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 11 R 8.08 4.63 0.00 1.87 1.96 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 12 I 8.07 3.82 1.87 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 1.50 0.52 0.91 0.00 0.00 13 K 8.40 4.46 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.26 7.81 14 E 8.88 4.99 0.00 1.87 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 0.00 2.16 2.09 0.00 15 A 7.96 4.73 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 16 L 8.27 4.09 0.00 1.64 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.20 4.20 0.00 4.00 4.12 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 18 R 7.36 4.59 0.00 1.96 1.85 0.00 3.27 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 19 Q 8.32 4.36 0.00 2.20 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.43 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 20 E 9.47 4.69 0.00 1.98 1.73 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 2.13 1.88 0.00 21 P 0.00 3.99 0.00 2.05 1.97 0.00 3.64 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 2.02 2.13 0.00 22 K 8.42 4.26 0.00 1.70 1.70 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.48 7.81 23 T 8.30 4.77 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 1.28 0.00 0.00 24 I 8.32 4.47 1.87 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 1.23 0.67 0.91 0.00 0.00 25 S 9.55 4.84 0.00 3.81 3.64 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 26 C 8.32 5.64 0.00 2.83 2.91 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 27 T 8.54 4.32 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 1.20 0.00 0.00 28 S 8.76 5.13 0.00 3.76 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 29 V 8.64 4.46 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 1.09 0.00 0.00 0.95 0.00 0.00 30 T 8.53 5.30 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 1.14 0.00 0.00 31 S 9.16 4.86 0.00 3.96 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 32 S 8.70 4.45 0.00 3.93 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 33 G 9.32 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 0.00 0.00 0.00 34 R 8.58 4.75 0.00 1.97 2.07 0.00 2.92 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 35 L 7.91 5.92 0.00 1.52 1.59 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.05 4.64 1.23 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 0.00 0.00 37 S 8.51 5.14 0.00 3.71 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 38 C 8.94 4.65 0.00 2.85 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 39 P 0.00 4.48 0.00 2.17 1.98 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 40 A 8.15 4.16 1.24 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 0.00 0.00 0.00 41 G 9.56 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.25 5.00 0.00 1.89 1.91 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 2.63 2.47 0.00 43 V 8.44 4.23 2.10 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 0.71 0.00 0.00 1.01 0.00 0.00 44 V 8.29 4.55 2.10 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 0.76 0.00 0.00 0.99 0.00 0.00 45 T 9.52 4.51 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 46 G 6.81 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 0.00 0.00 0.00 47 C 6.11 5.04 0.00 1.23 2.44 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 0.00 48 A 8.37 4.90 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.18 4.38 0.00 2.67 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 50 G 6.98 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.84 3.89 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.77 4.68 0.00 2.94 3.24 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 0.00 54 G 8.69 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.93 4.54 0.00 3.79 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 56 W 7.81 5.47 0.00 3.32 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 57 D 9.37 5.10 0.00 2.76 2.76 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 0.00 0.00 0.00 0.00 58 I 8.55 5.14 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 1.02 0.00 0.00 59 R 9.01 4.58 0.00 1.74 1.81 0.00 3.29 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 60 N 9.87 4.09 0.00 2.87 2.90 0.00 0.00 7.03 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 61 G 9.55 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 62 N 8.39 4.99 0.00 2.78 2.99 0.00 0.00 6.72 6.80 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 63 T 7.82 4.98 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 1.29 0.00 0.00 64 C 9.58 4.77 0.00 2.88 2.91 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 65 H 9.53 5.26 0.00 3.17 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.95 4.91 0.00 2.91 2.93 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 0.00 0.00 0.00 67 Q 8.21 4.49 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 68 C 8.25 4.86 0.00 2.96 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 69 S 8.71 4.39 0.00 3.74 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 70 V 7.41 4.00 1.28 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 0.75 0.00 0.00 0.67 0.00 0.00 71 M 8.36 4.71 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 72 D 7.48 4.11 0.00 2.23 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.61 5.93 0.00 3.46 3.07 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 0.00 0.00 0.00 0.00 74 A 9.61 4.90 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 75 S 9.06 5.20 0.00 4.39 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 76 A 9.14 5.07 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 77 R 8.67 4.75 0.00 1.75 1.72 0.00 3.18 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 78 C 9.22 5.64 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 9.33 5.74 0.00 2.79 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 80 R 8.96 4.99 0.00 1.95 2.08 0.00 2.87 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 81 M 8.55 4.78 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 82 A 9.59 4.40 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 * Residues marked with a * may have inaccurate shift predictions.