NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 T 4.2261 8.0285 110.9294 61.7137 71.2437 175.9291 15 A 3.7110 7.9306 123.8661 53.9821 18.3635 176.8840 16 P 3.3957 0.0000 0.0000 65.5369 31.6800 177.1292 17 V 3.4117 7.5159 116.2522 66.2114 31.3151 177.6137 18 N 4.2675 8.0209 116.0219 56.3083 38.3774 177.2639 19 Q 4.0005 8.1862 121.1558 59.0540 29.2050 178.0294 20 I 3.8876 8.1021 121.3173 64.7179 37.2825 178.2766 21 Q 4.0188 8.3318 121.2685 59.6806 28.4733 179.6248 22 E 4.0144 8.2208 119.2073 61.3776 29.6456 181.1606 23 T 4.0721 8.0737 117.2213 66.4672 68.3604 176.8010 24 I 3.8332 7.6672 113.2584 63.4715 37.7360 177.9085 25 S 4.3535 7.6606 116.3394 61.1326 62.9711 175.6299 26 D 4.5362 8.2163 120.1766 54.7460 41.1023 176.2290 27 N 5.0056 7.2421 116.5309 51.0384 42.0913 173.3388 28 C 4.4836 9.0422 123.2033 59.3080 42.4527 173.2132 29 V 4.9380 7.7824 118.0942 60.9046 34.2518 174.0163 30 V 4.7969 8.9682 127.4516 61.1258 34.8305 174.0119 31 I 4.9238 8.5989 128.9684 59.5444 39.4592 174.8258 32 F 4.7808 9.3086 127.9178 57.2675 39.9970 175.1724 33 S 5.0848 9.5689 118.1775 56.6761 66.9147 172.2983 34 K 5.3141 8.4164 120.2072 54.5344 35.2989 178.1555 35 T 3.9808 9.1846 114.1154 64.2207 68.8855 175.4876 36 S 4.3920 8.0040 114.5284 58.7174 64.0177 173.5550 37 C 4.6238 7.7720 122.5132 58.2031 32.8919 174.2376 38 S 4.2836 8.6763 124.4826 61.5737 62.6065 176.0596 39 Y 4.2298 8.1941 119.4216 61.3592 37.5475 178.3150 40 C 4.2624 8.2013 117.0981 63.1250 28.2745 175.9961 41 T 3.8954 8.1048 117.3231 67.0657 67.9990 176.5823 42 M 4.0385 8.4227 120.4802 58.2012 31.9494 178.7115 43 A 3.8799 8.1728 120.9970 54.9249 18.4834 179.6910 44 K 3.3224 8.1946 117.2093 59.4745 32.1985 179.3395 45 K 3.9197 8.2264 119.9131 59.3056 32.1384 178.2552 46 L 3.7136 7.9268 120.6102 58.3068 41.9472 179.0867 47 F 4.0645 7.5350 116.9090 60.6342 38.7777 176.9324 48 H 4.2771 8.6946 118.2527 59.8260 29.4688 177.0350 49 D 4.3923 8.5354 119.0654 57.2254 40.6768 177.7802 50 M 4.2473 7.6533 116.1445 54.5242 32.5265 175.5525 51 N 4.2003 8.2215 115.6582 54.6654 36.4763 174.3149 52 V 4.4763 7.8443 116.7644 60.9175 33.7924 174.5991 53 N 4.6180 9.3800 125.9050 53.2468 39.1195 174.0505 54 Y 4.9727 7.3047 119.4404 55.1362 41.7488 174.0919 55 K 4.3575 9.1084 122.9818 55.2028 33.9106 175.1029 56 V 4.7011 8.3679 127.3484 61.1971 33.6089 174.8070 57 V 4.1347 8.4074 128.0095 61.1740 33.6930 174.8892 58 E 4.7928 8.6502 129.3536 55.0695 28.7911 177.3908 59 L 4.0104 9.0518 126.8323 57.5494 41.9074 179.7643 60 D 4.4421 8.0485 116.5085 55.2492 39.6756 176.7755 61 L 4.3742 7.6746 118.3126 54.7840 42.2075 176.4013 62 L 4.3395 7.2831 122.3361 53.9122 42.6823 176.8808 63 E 4.0641 9.0414 122.4877 59.8622 29.9505 178.1283 *64 Y 4.7711 7.5705 117.7465 56.0737 37.5333 180.0041 65 G 3.8162 8.1912 113.2214 48.9306 0.0000 175.3798 66 N 4.4913 8.3643 123.6792 58.2461 37.6631 181.0992 67 Q 4.2540 8.1280 122.6711 59.9615 28.2252 180.6754 68 F 4.1049 8.4778 118.8859 60.6815 39.0807 177.5783 69 Q 4.1648 8.4910 117.7882 59.0434 28.5450 178.7334 70 D 4.3599 8.4938 119.9243 57.2830 41.0122 178.5969 71 A 3.9425 8.4200 121.6086 55.2841 18.3913 179.7702 72 L 3.8901 8.4423 117.7757 57.6793 41.5116 179.0593 73 Y 4.3774 8.1475 123.5420 60.7472 38.5338 179.0084 74 K 3.8320 7.7084 122.6788 60.0939 31.8559 180.4618 75 M 4.3769 7.7379 118.9059 57.4017 32.0116 177.9586 76 T 4.0088 7.8898 107.0301 60.5912 70.4863 175.1364 77 G 3.7203 8.6522 109.6857 44.9017 0.0000 173.1682 78 E 4.9182 7.4906 116.8907 54.6540 33.3853 176.2440 79 R 4.3398 8.7713 120.4362 57.5783 30.6816 176.9107 80 T 4.2670 7.7181 106.9875 62.0792 69.7317 173.9993 81 V 4.4965 8.0376 115.9878 59.2203 33.6506 174.2718 82 P 5.0283 0.0000 0.0000 62.7671 33.4786 175.0006 83 R 5.0106 9.1409 119.6186 54.7908 33.0005 174.7543 84 I 5.1595 8.6779 125.2807 59.5235 40.0401 174.7564 85 F 5.2982 9.6650 125.5808 55.6384 42.4509 174.4371 86 V 4.7272 8.4873 122.4224 61.5072 34.5010 175.0284 87 N 4.2954 10.2840 126.7554 54.8210 37.7401 174.9142 88 G 4.0596 8.6849 102.1050 45.5944 0.0000 173.8985 89 T 4.6988 7.8274 117.0032 61.0572 70.6462 173.4789 90 F 3.8893 9.0037 128.7522 58.1917 39.4873 174.4850 91 I 3.8092 9.0529 122.0247 60.5131 39.0122 176.2289 92 G 3.3215 5.5099 106.8689 43.9951 0.0000 170.9748 93 G 4.3828 7.8376 110.3191 44.1613 0.0000 173.8855 94 A 3.9201 8.8415 120.0554 55.6766 18.4436 180.2059 95 T 3.6934 7.7754 113.6047 66.9244 68.6094 176.4764 96 D 4.3435 8.0223 120.2136 57.6554 40.8513 178.9290 97 T 3.7959 7.8134 116.1398 66.9161 68.4108 176.5644 98 H 4.0034 8.2679 118.1896 58.7282 28.6297 177.9064 99 R 3.8329 8.0974 120.5177 59.2861 29.9133 178.3331 100 L 3.9162 7.9421 118.8714 58.2410 41.5665 179.1213 101 H 4.1355 8.1216 117.9175 59.1134 29.5735 177.1380 102 K 3.8218 7.9291 120.4282 59.4110 32.0967 177.7711 103 E 4.2777 8.1528 115.8490 56.0979 29.4802 177.4246 104 G 3.8545 7.9280 107.4398 46.5753 0.0000 175.2816 105 K 4.3372 8.3114 119.0530 56.3019 32.6792 178.2932 106 L 4.0422 7.6284 121.2484 57.7218 42.4037 177.9062 107 L 3.9376 7.8516 119.7345 57.8653 41.9994 176.8885 108 P 4.3582 0.0000 0.0000 65.5506 31.3582 178.5146 109 L 3.9873 7.4652 118.1655 57.7518 41.5364 179.7100 110 V 3.6197 7.6780 117.6780 66.2219 31.5034 177.3121 111 H 4.0907 8.6804 118.2153 59.6035 29.6458 177.0010 112 Q 3.9555 8.2437 119.7187 59.1365 28.5443 178.2903 113 C 4.4083 8.1858 118.9651 60.0233 43.5377 175.0242 114 Y 4.0465 8.4243 117.4859 61.2471 37.5765 178.3638 115 L 4.2646 8.0090 117.4996 56.0779 41.9336 178.2935 116 K 4.4754 7.2330 116.3286 56.4210 33.3030 176.6126 117 K 3.9234 7.6592 121.0242 56.1618 32.1540 176.6471 118 S 4.1335 8.2186 121.2650 57.6912 63.9534 174.0043 119 K 4.2826 8.5007 123.4096 55.2749 31.7447 177.4731 120 R 4.0757 8.6864 127.3679 59.0554 30.2615 179.3658 121 K 3.9180 8.1870 115.8803 59.5679 32.3431 177.3634 122 E 4.1155 8.3308 117.3746 57.0821 30.3581 176.5144 123 F 4.7047 8.1002 118.3399 55.6891 38.7605 175.5734 124 Q 4.1485 7.5255 122.9008 56.4433 29.5872 175.2968 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 14 T 8.03 4.23 4.21 0.00 0.00 0.00 0.00 0.00 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 15 A 7.93 3.71 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 16 P 0.00 3.40 0.00 1.69 0.91 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 17 V 7.52 3.41 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 1.07 0.00 0.00 0.81 0.00 0.00 18 N 8.02 4.27 0.00 3.03 2.82 0.00 0.00 6.69 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 19 Q 8.19 4.00 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 20 I 8.10 3.89 1.84 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 1.35 0.73 0.55 0.00 0.00 21 Q 8.33 4.02 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 22 E 8.22 4.01 0.00 1.99 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 0.00 2.24 2.22 0.00 23 T 8.07 4.07 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 24 I 7.67 3.83 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.50 0.55 0.00 0.00 25 S 7.66 4.35 0.00 4.10 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 26 D 8.22 4.54 0.00 2.70 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 27 N 7.24 5.01 0.00 2.68 2.64 0.00 0.00 6.90 7.53 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 28 C 9.04 4.48 0.00 3.09 3.19 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 0.00 29 V 7.78 4.94 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 -0.05 0.00 0.00 0.82 0.00 0.00 30 V 8.97 4.80 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 0.40 0.00 0.00 0.88 0.00 0.00 31 I 8.60 4.92 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.98 0.00 0.00 32 F 9.31 4.78 0.00 3.32 3.16 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 33 S 9.57 5.08 0.00 3.88 3.71 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 34 K 8.42 5.31 0.00 1.74 1.66 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 35 T 9.18 3.98 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 1.27 0.00 0.00 36 S 8.00 4.39 0.00 4.01 4.03 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 37 C 7.77 4.62 0.00 3.03 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 38 S 8.68 4.28 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 4.23 0.00 2.95 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 40 C 8.20 4.26 0.00 3.23 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 41 T 8.10 3.90 4.43 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 1.24 0.00 0.00 42 M 8.42 4.04 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.88 0.00 43 A 8.17 3.88 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 44 K 8.19 3.32 0.00 1.99 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.58 7.81 45 K 8.23 3.92 0.00 1.94 1.97 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.47 7.81 46 L 7.93 3.71 0.00 1.57 1.43 0.60 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.53 4.06 0.00 2.91 3.15 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 48 H 8.69 4.28 0.00 3.50 3.58 0.00 5.59 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 49 D 8.54 4.39 0.00 2.78 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 50 M 7.65 4.25 0.00 1.95 2.15 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 2.49 2.40 0.00 51 N 8.22 4.20 0.00 2.86 2.93 0.00 0.00 6.66 7.56 0.00 0.00 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 V 7.84 4.48 2.54 0.00 0.00 0.00 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 1.02 0.00 0.00 53 N 9.38 4.62 0.00 2.80 2.70 0.00 0.00 6.79 7.12 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 54 Y 7.30 4.97 0.00 2.74 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 55 K 9.11 4.36 0.00 1.94 1.78 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.28 7.81 56 V 8.37 4.70 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 0.94 0.00 0.00 1.23 0.00 0.00 57 V 8.41 4.13 1.78 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 0.99 0.00 0.00 0.67 0.00 0.00 58 E 8.65 4.79 0.00 2.03 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 2.38 2.28 0.00 59 L 9.05 4.01 0.00 1.80 1.78 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.05 4.44 0.00 2.79 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 61 L 7.67 4.37 0.00 1.74 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.28 4.34 0.00 1.57 1.39 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.04 4.06 0.00 1.98 1.89 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 2.24 1.90 0.00 *64 Y 7.57 4.77 0.00 2.22 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 0.00 0.00 0.00 0.00 65 G 8.19 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 66 N 8.36 4.49 0.00 2.74 2.84 0.00 0.00 7.05 7.90 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 67 Q 8.13 4.25 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 68 F 8.48 4.10 0.00 3.16 3.17 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 0.00 0.00 0.00 0.00 69 Q 8.49 4.16 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 70 D 8.49 4.36 0.00 2.85 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 71 A 8.42 3.94 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 72 L 8.44 3.89 0.00 1.63 1.67 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.15 4.38 0.00 3.07 3.14 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 0.00 0.00 0.00 74 K 7.71 3.83 0.00 1.92 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 75 M 7.74 4.38 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00 76 T 7.89 4.01 2.69 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 0.58 0.00 0.00 77 G 8.65 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 0.00 0.00 0.00 78 E 7.49 4.92 0.00 2.18 1.88 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 2.21 2.09 0.00 79 R 8.77 4.34 0.00 1.80 1.97 0.00 3.07 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 80 T 7.72 4.27 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 1.26 0.00 0.00 81 V 8.04 4.50 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 82 P 0.00 5.03 0.00 2.26 2.29 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 83 R 9.14 5.01 0.00 2.21 2.24 0.00 3.41 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 84 I 8.68 5.16 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 1.04 0.00 0.00 85 F 9.67 5.30 0.00 3.00 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 86 V 8.49 4.73 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 1.01 0.00 0.00 1.01 0.00 0.00 87 N 10.28 4.30 0.00 2.85 2.89 0.00 0.00 7.28 7.90 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 88 G 8.68 4.06 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 0.00 0.00 0.00 89 T 7.83 4.70 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 1.26 0.00 0.00 90 F 9.00 3.89 0.00 2.54 2.89 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 91 I 9.05 3.81 1.71 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.89 0.00 0.00 92 G 5.51 3.32 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 0.00 93 G 7.84 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 0.00 0.00 0.00 0.00 94 A 8.84 3.92 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.78 3.69 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 1.19 0.00 0.00 96 D 8.02 4.34 0.00 2.59 2.62 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 97 T 7.81 3.80 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 1.05 0.00 0.00 98 H 8.27 4.00 0.00 3.24 3.27 0.00 5.81 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 99 R 8.10 3.83 0.00 1.86 2.10 0.00 3.09 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 1.68 1.64 0.00 100 L 7.94 3.92 0.00 1.95 1.67 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.12 4.14 0.00 3.07 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.93 3.82 0.00 2.12 1.93 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.36 7.81 103 E 8.15 4.28 0.00 2.09 1.94 0.00 0.00 0.00 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 2.44 0.00 104 G 7.93 3.85 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 0.00 0.00 0.00 105 K 8.31 4.34 0.00 1.90 1.82 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 106 L 7.63 4.04 0.00 1.78 1.63 1.03 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.85 3.94 0.00 1.79 1.64 0.84 0.93 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 0.00 108 P 0.00 4.36 0.00 2.20 2.11 0.00 3.70 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 2.19 2.18 0.00 109 L 7.47 3.99 0.00 2.07 1.75 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.68 3.62 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 0.86 0.00 0.00 1.07 0.00 0.00 111 H 8.68 4.09 0.00 3.24 3.48 0.00 5.85 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 0.00 112 Q 8.24 3.96 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 113 C 8.19 4.41 0.00 3.10 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 0.00 114 Y 8.42 4.05 0.00 3.00 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 0.00 115 L 8.01 4.26 0.00 1.60 1.71 0.74 0.92 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 0.00 116 K 7.23 4.48 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 117 K 7.66 3.92 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 118 S 8.22 4.13 0.00 3.18 3.35 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 0.00 119 K 8.50 4.28 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.46 7.81 120 R 8.69 4.08 0.00 1.91 2.01 0.00 3.48 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 121 K 8.19 3.92 0.00 1.86 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 122 E 8.33 4.12 0.00 1.96 1.66 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 0.00 2.32 2.40 0.00 123 F 8.10 4.70 0.00 3.01 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 0.00 124 Q 7.53 4.15 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.