NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3056 8.4444 118.7973 56.1288 30.8858 174.6563 3 S 4.4386 8.4837 116.7928 54.6279 65.4088 171.0863 4 N 4.8261 9.1996 125.5392 51.2104 40.5685 173.8658 5 L 4.0192 8.5439 117.6213 58.9261 42.0989 179.8373 6 T 4.0173 7.9608 115.6794 66.2671 68.5146 176.9279 7 T 3.8764 8.3077 111.8615 64.6761 68.8320 176.5686 8 A 3.9418 7.8729 123.2024 54.8624 18.3814 179.5390 9 A 3.9828 8.1920 119.2268 55.3093 18.4258 180.0728 10 S 4.1302 8.1995 113.8715 61.8226 63.0172 177.3885 11 V 3.6300 7.7938 115.1187 64.3440 31.2970 178.7439 12 I 3.7018 7.6330 119.1408 64.2386 36.8880 178.2083 13 A 3.9873 8.4442 121.8343 55.1159 18.2560 179.4792 14 A 3.9054 8.1468 118.8929 55.3991 18.4677 179.6484 15 A 3.9819 7.8474 118.7763 55.4162 18.3914 179.9190 16 L 3.9476 8.1192 117.2678 57.5705 41.5588 179.4151 17 A 3.9931 8.3658 121.2099 55.4932 18.1796 180.1015 18 V 3.8181 7.5357 108.8258 63.8820 31.8624 179.0285 19 G 3.6920 8.2880 105.8145 47.9147 0.0000 175.9238 20 I 3.8444 7.8885 123.3488 63.6771 37.0078 178.6796 21 G 3.8352 7.7790 105.1667 46.7087 0.0000 174.5965 22 S 4.6772 7.6891 116.6344 58.1932 63.6736 176.3914 23 I 3.7816 7.7787 124.7338 64.4741 36.9124 178.3356 24 G 3.5231 7.9476 105.8287 47.5094 0.0000 173.6683 25 P 4.3954 0.0000 0.0000 64.9995 31.2265 178.9274 26 G 3.6346 8.3209 104.5816 47.7614 0.0000 175.7871 27 L 4.1217 8.0200 121.7118 57.4842 41.6296 179.8965 28 G 3.6118 8.5021 106.1061 47.9207 0.0000 175.7288 29 Q 4.1253 8.6607 121.1153 58.6997 28.7022 179.2935 30 G 3.5799 7.9272 106.9794 47.6458 0.0000 175.6704 31 Q 3.9607 8.2041 121.7489 58.8103 29.0756 178.2028 32 A 3.9441 8.2208 121.6622 55.2403 18.4307 179.5421 33 A 4.1176 8.2458 119.5620 55.1659 18.4102 180.1422 34 G 3.5051 8.2484 104.3985 47.9588 0.0000 175.8241 35 Q 3.9687 8.0959 121.5100 58.6249 29.0367 178.0069 36 A 3.9708 8.3535 122.3268 55.4938 18.4984 180.1371 37 V 3.6743 8.0649 110.8756 64.1499 31.5824 178.4690 38 E 4.0463 8.4519 119.6485 59.1144 29.4561 179.1312 39 G 3.5848 8.2640 105.9837 47.7102 0.0000 175.7431 40 I 3.6661 7.7958 122.1138 64.1602 36.9546 178.2628 41 A 4.0147 7.6769 120.1069 55.3105 18.2202 179.3882 42 R 4.1396 7.7022 116.2384 58.4230 31.6071 176.9204 43 Q 4.5337 8.4765 119.8544 53.5180 29.8791 172.7688 44 P 4.4398 0.0000 0.0000 64.2322 32.0203 178.7332 45 E 3.9672 8.1770 116.3631 58.7705 29.7075 177.8204 46 A 4.4328 8.2271 119.9591 51.9730 18.7316 178.2468 47 E 3.9703 8.0701 120.9767 59.8695 29.6043 179.3864 48 G 3.6212 8.0164 104.9926 47.7508 0.0000 175.7069 49 K 4.0189 7.9583 120.4758 59.0996 32.0794 179.3885 50 I 3.6724 8.1926 120.4910 64.4275 37.0470 178.3570 51 R 3.9812 8.6247 119.9389 59.3366 29.9710 178.7197 52 G 3.5920 8.2299 105.3811 48.3234 0.0000 175.8537 53 T 3.9364 7.9430 118.9504 65.9460 68.3480 176.5569 54 L 3.9459 8.3047 122.7287 57.9264 42.1058 178.7582 55 L 3.9252 8.1161 120.3643 58.0744 42.1978 178.4376 56 L 4.0388 7.7678 119.7676 58.5492 41.9466 179.2470 57 S 4.1934 8.0237 114.7106 61.7224 62.5905 176.7004 58 L 4.0254 8.1681 120.5360 57.6948 41.3915 179.1956 59 A 4.1101 7.9168 119.9086 55.0740 18.4003 179.1924 60 F 4.1175 7.9741 114.8375 60.9452 39.2884 178.7077 61 M 4.2877 8.0841 116.7808 55.6804 31.9311 178.2934 *63 A 3.9643 8.0460 124.2770 52.0912 20.5561 179.9188 64 L 3.7040 7.4222 115.4280 58.3956 41.1811 179.9717 65 T 3.7131 7.6723 114.9396 66.4329 68.3825 176.8720 66 I 3.7618 7.3947 121.3681 64.4048 37.1260 177.8099 67 Y 4.5288 7.4938 117.9113 60.9150 37.5618 178.7993 68 G 3.6116 7.6809 106.4249 47.6951 0.0000 175.2712 69 L 3.9878 8.0288 123.4689 58.1701 42.0154 179.6394 70 V 3.7753 8.1832 112.3867 64.2090 31.3649 178.6857 71 V 3.5821 7.8619 117.7358 66.0108 31.5146 177.8163 72 A 3.9940 8.3439 120.7523 55.3368 18.1435 179.6671 73 L 4.1545 8.5009 117.7496 57.8712 41.6235 179.8926 74 V 3.6212 8.2828 118.6719 66.1064 31.2934 178.0883 75 L 3.9293 8.0145 117.5730 57.2964 41.4761 178.6960 76 L 4.2200 7.4618 116.6592 55.1225 42.2864 177.2318 77 F 4.9468 8.3283 114.0368 56.8160 41.1336 174.8062 78 A 4.7341 8.1336 123.9102 51.1347 18.7825 175.9342 79 N 4.3024 8.2741 119.9815 54.2162 39.4579 173.7377 80 P 4.1791 0.0000 0.0000 64.5462 31.8236 176.8632 81 F 4.9621 7.2258 117.0460 58.2256 40.8235 175.8880 82 V 4.0886 7.6630 116.7422 61.4834 32.2302 175.2633 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 E 8.44 4.31 0.00 2.10 2.04 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 2.18 2.31 0.00 3 S 8.48 4.44 0.00 3.87 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 4 N 9.20 4.83 0.00 2.88 2.89 0.00 0.00 6.19 6.64 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 5 L 8.54 4.02 0.00 1.76 1.68 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.96 4.02 4.38 0.00 0.00 0.00 0.00 0.00 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 7 T 8.31 3.88 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 1.22 0.00 0.00 8 A 7.87 3.94 1.40 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 0.00 0.00 9 A 8.19 3.98 1.41 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 10 S 8.20 4.13 0.00 4.08 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 11 V 7.79 3.63 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 0.93 0.00 0.00 0.98 0.00 0.00 12 I 7.63 3.70 1.99 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 1.56 0.99 0.91 0.00 0.00 13 A 8.44 3.99 1.40 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 0.00 0.00 14 A 8.15 3.91 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 15 A 7.85 3.98 1.39 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 0.00 0.00 0.00 16 L 8.12 3.95 0.00 1.86 1.73 0.93 0.71 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 17 A 8.37 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.82 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 0.80 0.00 0.00 1.05 0.00 0.00 19 G 8.29 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.84 2.02 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 1.46 0.79 0.92 0.00 0.00 21 G 7.78 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 22 S 7.69 4.68 0.00 4.00 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 0.00 23 I 7.78 3.78 1.96 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 1.46 0.76 0.92 0.00 0.00 24 G 7.95 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 25 P 0.00 4.40 0.00 2.16 2.30 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 26 G 8.32 3.63 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 0.00 0.00 0.00 0.00 27 L 8.02 4.12 0.00 1.86 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.50 3.61 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 0.00 0.00 0.00 29 Q 8.66 4.13 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 30 G 7.93 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.20 3.96 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 32 A 8.22 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.12 1.40 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 0.00 0.00 34 G 8.25 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 3.97 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 36 A 8.35 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 3.67 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 0.77 0.00 0.00 1.03 0.00 0.00 38 E 8.45 4.05 0.00 2.10 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 2.30 2.33 0.00 39 G 8.26 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.67 2.00 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 1.46 1.13 0.91 0.00 0.00 41 A 7.68 4.01 1.36 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 42 R 7.70 4.14 0.00 1.84 2.13 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 Q 8.48 4.53 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 44 P 0.00 4.44 0.00 2.14 2.09 0.00 4.19 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 45 E 8.18 3.97 0.00 1.95 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 2.31 2.31 0.00 46 A 8.23 4.43 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 47 E 8.07 3.97 0.00 2.15 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 0.00 2.31 2.34 0.00 48 G 8.02 3.62 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 49 K 7.96 4.02 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 50 I 8.19 3.67 2.08 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 1.41 0.79 0.91 0.00 0.00 51 R 8.62 3.98 0.00 2.03 1.93 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 G 8.23 3.59 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 0.00 0.00 0.00 53 T 7.94 3.94 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 1.20 0.00 0.00 54 L 8.30 3.95 0.00 1.79 1.83 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.12 3.93 0.00 1.94 1.76 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.77 4.04 0.00 1.90 1.95 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.02 4.19 0.00 4.12 3.90 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 58 L 8.17 4.03 0.00 1.75 1.75 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.92 4.11 1.32 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 0.00 0.00 60 F 7.97 4.12 0.00 3.23 3.12 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 61 M 8.08 4.29 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 *63 A 8.05 3.96 1.10 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 0.00 0.00 64 L 7.42 3.70 0.00 1.79 1.74 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.67 3.71 4.19 0.00 0.00 0.00 0.00 0.00 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 66 I 7.39 3.76 1.78 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 1.58 0.59 0.89 0.00 0.00 67 Y 7.49 4.53 0.00 3.19 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 68 G 7.68 3.61 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 0.00 0.00 0.00 69 L 8.03 3.99 0.00 1.77 1.90 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.18 3.78 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.06 0.00 0.00 71 V 7.86 3.58 2.25 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 1.11 0.00 0.00 0.96 0.00 0.00 72 A 8.34 3.99 1.44 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 0.00 0.00 73 L 8.50 4.15 0.00 1.87 1.92 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.28 3.62 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 1.08 0.00 0.00 0.97 0.00 0.00 75 L 8.01 3.93 0.00 1.79 1.71 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.46 4.22 0.00 1.07 0.95 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.33 4.95 0.00 3.11 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 78 A 8.13 4.73 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 79 N 8.27 4.30 0.00 2.92 2.69 0.00 0.00 6.82 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 80 P 0.00 4.18 0.00 1.07 1.71 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 81 F 7.23 4.96 0.00 3.29 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 82 V 7.66 4.09 2.33 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 0.80 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.