NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8916 8.1676 115.9090 57.1654 40.2738 176.9451 11 H 3.5128 7.2204 116.7424 57.1084 28.5192 173.9975 12 E 3.7696 8.5005 121.2437 59.0386 30.4863 178.0191 13 M 4.5925 7.3422 115.8689 55.4115 32.0773 177.1658 14 R 4.5172 7.6370 117.3310 55.9171 33.2326 175.5710 15 E 3.9488 8.0014 116.8080 55.1046 29.8744 174.9948 16 P 4.5122 0.0000 0.0000 62.9735 32.3523 174.9624 17 R 4.6544 8.1275 115.5952 55.4176 33.1551 174.0290 18 I 4.2379 8.4668 121.1397 61.5972 37.4074 174.7696 19 E 4.5664 9.0065 128.4737 57.1180 30.7225 175.9854 20 K 4.7545 7.6767 117.7998 55.4313 36.2830 174.2308 21 V 4.3534 8.4702 125.3562 61.3550 33.2356 174.4934 22 V 5.2414 8.8325 129.3682 60.8234 33.3685 174.6568 23 V 4.7362 8.1432 121.4657 59.8978 33.9909 174.3137 24 H 5.2353 9.1916 125.1710 54.6472 33.2594 172.1745 25 M 4.6339 8.7199 124.1287 53.5180 34.8029 174.2339 26 G 3.7530 8.3343 111.3124 44.9184 0.0000 171.0287 27 I 4.0557 8.3565 127.6414 60.5662 38.2466 176.8866 28 G 4.1146 7.9078 110.0980 46.1977 0.0000 174.1441 29 H 4.7218 7.5830 113.2668 55.6251 29.4427 174.3134 *35 A 4.3605 8.1908 122.7501 52.8464 19.7716 178.6449 36 N 4.4955 7.8521 111.6439 54.7281 38.1212 176.6436 37 A 4.1677 7.8936 119.9321 53.6578 18.4799 178.5282 38 E 4.1146 7.9396 116.0148 58.9326 28.9097 179.0302 39 D 4.3385 7.9889 118.9868 57.3004 40.9862 178.4027 40 I 3.8913 7.7222 111.9845 62.8852 37.6747 177.2142 41 L 4.4355 7.4916 121.1302 56.3506 41.7940 178.2782 42 G 3.7959 7.6272 103.1650 46.0418 0.0000 174.9492 43 E 4.3121 7.8625 119.7875 58.7828 30.3668 177.6485 44 I 4.0899 7.2422 115.8652 62.4441 38.3704 176.3341 45 T 3.8282 8.3919 108.9535 61.5014 67.4933 175.1375 46 G 4.7066 8.0183 119.7820 45.2725 0.0000 171.6900 47 Q 4.5021 7.2017 117.4315 54.4722 31.6464 173.4529 48 M 4.2233 8.3463 118.1783 54.4639 32.5072 174.8695 49 P 4.7155 0.0000 0.0000 62.3056 33.4249 175.5740 50 V 4.5516 8.3874 113.0993 59.4938 35.3164 175.8333 51 R 4.6093 8.6283 122.7279 56.5042 31.3185 175.8859 52 T 4.5458 8.5530 118.1009 62.1093 71.4500 174.4151 53 K 5.0937 8.6950 126.0032 55.1038 34.9902 174.6344 54 A 4.6659 7.7357 121.3092 51.7909 22.6382 175.8722 55 K 4.5925 8.1264 117.0688 55.6126 35.8119 173.7986 56 R 3.9671 8.6972 126.8769 55.7620 30.0372 176.4568 57 T 4.0937 8.4200 118.3643 63.2936 68.7548 174.2093 58 V 4.4378 8.4378 126.5606 60.7052 33.8581 176.5164 59 G 3.7933 8.7212 114.9558 47.2801 0.0000 173.1902 60 E 4.2912 7.9772 119.1600 56.8019 29.9542 176.1471 61 F 4.1383 8.1628 115.5321 60.1616 38.7818 174.9483 62 D 4.6789 7.8362 117.2959 53.0468 41.7340 175.4967 63 I 3.9462 7.4496 114.2388 62.8186 39.1682 177.3651 64 R 3.9334 7.6321 120.5346 56.1291 30.1207 175.3462 65 E 4.0951 8.7092 126.5967 58.7849 30.2498 176.8859 66 G 4.1602 7.6211 111.3895 43.8020 0.0000 171.3970 67 D 4.5933 7.6608 122.5421 51.1515 42.6416 173.8977 68 P 4.3242 0.0000 0.0000 63.4251 31.4711 175.3424 69 I 4.1863 8.9068 124.6099 62.4121 39.6098 175.5303 70 G 4.7173 7.5187 107.5148 45.2404 0.0000 170.8011 71 A 5.2389 7.9509 117.8906 50.9289 23.1606 176.3063 72 K 5.4946 9.6615 121.0398 55.2698 37.1685 175.2838 73 V 4.7871 8.0762 118.6143 60.3785 34.8812 173.4511 74 T 4.8673 8.4706 113.5226 60.0145 70.8807 173.1245 75 L 4.6138 8.6110 126.8880 53.0937 43.5131 175.8067 76 R 4.9692 8.5664 122.6673 54.4275 32.7141 177.4929 77 D 4.2958 8.9390 122.0583 55.6231 40.3840 176.2564 78 E 4.0303 9.0305 128.4754 60.6911 29.3065 178.1010 79 M 4.3117 8.0610 115.2748 56.6647 32.4620 177.2897 80 A 4.4768 7.8669 121.1119 54.4693 19.3194 179.3209 81 E 4.0719 8.0871 116.6067 59.5340 29.4721 179.2093 82 E 4.0504 8.1047 117.7384 58.9579 29.6133 178.7013 83 F 4.4109 8.2150 120.5851 60.9486 39.6826 177.1247 84 L 4.0907 7.9697 117.9062 57.1508 41.1939 179.2387 85 Q 4.0083 7.6942 117.4375 57.9806 28.6676 177.4276 86 T 4.3032 7.6077 107.8146 61.8942 70.0850 175.6657 87 A 4.1842 7.1183 123.1146 54.4148 19.4984 179.0383 88 L 4.0082 7.8882 117.6108 57.1359 41.4034 177.1886 89 P 4.4646 0.0000 0.0000 62.8941 31.1319 176.5239 90 L 4.4324 7.8656 119.2985 55.9380 43.1552 177.0672 91 A 4.4772 7.6355 119.2621 50.8334 20.1065 176.9899 92 E 4.3012 8.4250 121.2350 54.7457 28.7433 176.2424 93 L 4.0101 8.2643 124.0917 54.5452 42.3640 177.0410 94 A 4.8442 8.3474 126.5587 51.0607 21.7527 175.0323 95 T 4.4124 8.4619 110.9053 65.6568 69.7666 176.5885 96 S 4.6695 8.0984 112.9373 58.7841 62.9729 174.0307 97 Q 4.6598 8.1029 118.1900 56.0578 28.7657 174.9081 98 F 5.1273 8.0872 115.7466 55.6803 42.1302 174.6398 99 D 4.8392 9.0279 123.5980 53.1840 42.1887 177.2824 100 D 4.5029 8.6084 121.9976 57.1619 40.9173 177.6957 101 T 4.2167 7.9964 113.4438 63.4258 69.3756 174.2059 102 G 3.9295 8.3665 109.0390 46.3951 0.0000 173.1824 103 N 5.3991 7.9960 114.3728 51.2101 42.9494 173.9420 104 F 5.1999 8.1777 111.7482 55.2002 41.8678 173.5388 105 S 4.8183 8.2034 115.8785 56.5686 65.3312 172.9902 106 F 4.9824 8.9498 122.3121 54.9696 40.4618 175.2513 107 G 4.4725 8.3432 108.2758 45.5543 0.0000 171.0246 *128 L 4.0913 7.6902 120.3060 55.0390 43.6647 176.5875 129 D 5.0925 8.6899 124.8949 52.4224 44.5210 175.1313 130 V 4.5181 8.0174 121.3218 61.3597 34.8208 174.1991 131 T 4.7110 8.9977 124.3340 61.5994 72.0429 172.9679 132 V 4.5402 7.5594 124.2703 61.1338 34.6336 173.9942 133 N 5.0122 8.6888 126.7669 51.9269 39.2650 172.9510 134 L 4.9346 8.3586 124.5147 54.3252 43.1949 176.1689 135 V 4.2403 8.4198 120.7785 60.5711 35.1750 173.1028 136 R 4.2891 8.2320 120.0193 55.0870 31.1791 176.2595 137 P 4.4811 0.0000 0.0000 63.9837 31.7772 177.8820 138 G 4.2556 8.2613 107.1129 44.6026 0.0000 172.3205 139 Y 4.7293 7.8343 118.4526 57.6245 40.3163 177.0786 140 R 3.9021 7.9024 119.7597 59.7130 30.0912 178.0685 141 V 3.5296 7.8742 117.6556 65.8470 31.1791 177.2901 142 A 4.3882 7.5227 119.4600 52.3463 19.0394 177.7481 143 K 4.1963 7.0004 114.2898 56.2800 33.0477 176.8825 144 R 4.3360 7.6058 115.8092 55.5316 31.3867 174.4319 145 D 4.6201 8.2906 114.3510 56.1851 42.5313 177.0980 146 K 3.7857 7.9690 120.6434 57.2587 32.4348 177.3242 147 A 3.7235 8.5906 129.5951 53.1768 15.7334 176.5945 148 S 4.6054 7.5342 115.1165 58.4651 64.6790 175.2974 149 R 4.6515 8.3718 119.8803 55.2727 33.7929 173.7439 150 S 4.5942 8.4528 118.0112 57.0335 64.0048 173.7236 151 I 3.9377 8.2140 126.3833 60.3486 37.5992 174.6199 152 P 4.4790 0.0000 0.0000 62.6533 31.7509 177.4824 153 T 4.0879 8.3712 109.7481 63.8903 68.8857 175.4849 154 K 4.2448 7.9697 120.2947 57.6061 32.6166 176.4871 155 H 4.7831 7.8051 115.9336 55.5476 30.8508 174.1185 156 R 4.2128 7.7386 116.9473 56.1864 30.7063 175.8038 157 L 4.0628 8.2036 122.7663 54.9845 42.9519 176.9349 158 N 4.7119 8.5164 123.4146 51.9759 40.4096 174.3732 159 P 4.2281 0.0000 0.0000 65.8777 31.5633 178.9664 160 A 3.8757 7.7926 118.9229 54.8506 18.0021 178.8158 161 D 4.3354 7.9906 115.3788 56.5925 40.8391 177.9530 162 A 3.9377 7.7163 121.1278 54.8718 18.6705 179.6752 163 V 3.1996 7.1527 115.9791 65.9373 31.6683 178.2146 164 A 3.9968 7.7951 120.0027 54.7805 17.8945 179.4769 165 F 4.2857 7.5391 118.5850 61.5582 39.8366 177.2972 166 I 3.6984 7.4941 118.5308 64.0335 36.6948 177.9698 167 E 4.0253 7.9391 119.4799 59.0126 29.5042 178.2206 168 S 4.4155 7.3717 109.9912 58.9570 63.1809 174.0368 169 T 4.0951 7.0585 117.1677 62.8374 68.7357 172.7168 170 Y 3.6271 8.2232 119.9028 58.0924 35.7415 168.8707 171 D 4.4893 7.5920 117.9296 52.8686 41.9575 173.8838 172 V 4.3178 7.9835 119.5456 61.4755 34.4944 176.1490 173 E 4.4697 7.9240 118.5641 54.1353 28.6875 176.1313 174 V 3.5999 8.6169 117.4435 63.1854 32.5869 172.4159 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 10 F 8.17 4.89 0.00 3.35 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 11 H 7.22 3.51 0.00 3.08 2.69 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.50 3.77 0.00 1.70 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 2.26 0.00 13 M 7.34 4.59 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 14 R 7.64 4.52 0.00 1.86 1.83 0.00 3.34 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 15 E 8.00 3.95 0.00 2.06 1.98 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 2.51 2.24 0.00 16 P 0.00 4.51 0.00 0.56 1.56 0.00 3.31 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 17 R 8.13 4.65 0.00 1.91 1.99 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.47 4.24 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 1.01 0.00 0.00 19 E 9.01 4.57 0.00 2.00 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 2.29 2.28 0.00 20 K 7.68 4.75 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 21 V 8.47 4.35 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 1.04 0.00 0.00 1.03 0.00 0.00 22 V 8.83 5.24 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 0.66 0.00 0.00 0.88 0.00 0.00 23 V 8.14 4.74 1.95 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 0.55 0.00 0.00 0.72 0.00 0.00 24 H 9.19 5.24 0.00 3.07 3.02 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.72 4.63 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 26 G 8.33 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.06 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.65 0.00 0.00 28 G 7.91 4.11 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 0.00 0.00 0.00 29 H 7.58 4.72 0.00 3.20 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 8.19 4.36 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 36 N 7.85 4.50 0.00 2.87 3.07 0.00 0.00 5.99 7.46 0.00 0.00 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 A 7.89 4.17 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 38 E 7.94 4.11 0.00 2.02 1.98 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 2.30 2.31 0.00 39 D 7.99 4.34 0.00 2.67 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 40 I 7.72 3.89 1.88 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 1.63 0.81 0.91 0.00 0.00 41 L 7.49 4.44 0.00 1.70 1.66 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.63 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 0.00 0.00 0.00 43 E 7.86 4.31 0.00 2.13 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 2.27 2.50 0.00 44 I 7.24 4.09 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.87 1.09 0.00 0.00 45 T 8.39 3.83 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 0.64 0.00 0.00 46 G 8.02 4.71 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 0.00 0.00 0.00 47 Q 7.20 4.50 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 6.89 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 48 M 8.35 4.22 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 49 P 0.00 4.72 0.00 2.03 1.99 0.00 3.68 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 1.93 2.11 0.00 50 V 8.39 4.55 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 0.67 0.00 0.00 0.98 0.00 0.00 51 R 8.63 4.61 0.00 1.67 1.83 0.00 3.28 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 52 T 8.55 4.55 4.25 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 1.19 0.00 0.00 53 K 8.69 5.09 0.00 1.61 1.76 0.00 1.79 0.00 0.00 2.35 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.26 7.81 54 A 7.74 4.67 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 55 K 8.13 4.59 0.00 1.59 1.67 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 R 8.70 3.97 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 57 T 8.42 4.09 4.25 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 1.22 0.00 0.00 58 V 8.44 4.44 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 1.00 0.00 0.00 1.01 0.00 0.00 59 G 8.72 3.79 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 0.00 0.00 0.00 60 E 7.98 4.29 0.00 2.14 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 0.00 2.28 2.33 0.00 61 F 8.16 4.14 0.00 3.01 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 62 D 7.84 4.68 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 3.95 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 1.00 0.00 0.00 64 R 7.63 3.93 0.00 1.70 1.96 0.00 3.17 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 65 E 8.71 4.10 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 2.34 2.42 0.00 66 G 7.62 4.16 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 0.00 67 D 7.66 4.59 0.00 2.71 2.66 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 0.00 0.00 0.00 68 P 0.00 4.32 0.00 2.03 2.04 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 69 I 8.91 4.19 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.43 0.90 0.00 0.00 70 G 7.52 4.72 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 71 A 7.95 5.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.66 5.49 0.00 1.79 1.91 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.20 7.81 73 V 8.08 4.79 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 0.56 0.00 0.00 0.93 0.00 0.00 74 T 8.47 4.87 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 75 L 8.61 4.61 0.00 1.57 1.59 0.56 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.57 4.97 0.00 1.65 1.83 0.00 3.41 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 77 D 8.94 4.30 0.00 2.90 1.72 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 78 E 9.03 4.03 0.00 2.05 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 2.43 2.36 0.00 79 M 8.06 4.31 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 80 A 7.87 4.48 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 81 E 8.09 4.07 0.00 2.08 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 0.00 2.49 2.63 0.00 82 E 8.10 4.05 0.00 2.12 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 0.00 2.36 2.42 0.00 83 F 8.22 4.41 0.00 3.24 3.26 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 84 L 7.97 4.09 0.00 1.91 1.78 1.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.69 4.01 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 86 T 7.61 4.30 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 1.14 0.00 0.00 87 A 7.12 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.89 4.01 0.00 1.69 1.66 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.46 0.00 2.00 2.03 0.00 3.58 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 2.09 2.06 0.00 90 L 7.87 4.43 0.00 1.80 1.73 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.64 4.48 1.26 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 0.00 0.00 92 E 8.42 4.30 0.00 1.98 1.95 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 2.27 2.33 0.00 93 L 8.26 4.01 0.00 1.59 1.59 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.35 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.46 4.41 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 1.20 0.00 0.00 96 S 8.10 4.67 0.00 4.03 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 97 Q 8.10 4.66 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 98 F 8.09 5.13 0.00 3.00 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 99 D 9.03 4.84 0.00 2.83 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 0.00 100 D 8.61 4.50 0.00 2.73 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 0.00 101 T 8.00 4.22 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 102 G 8.37 3.93 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 0.00 0.00 0.00 103 N 8.00 5.40 0.00 2.80 2.69 0.00 0.00 6.47 8.13 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 0.00 104 F 8.18 5.20 0.00 2.74 1.51 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 0.00 105 S 8.20 4.82 0.00 3.81 3.70 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 0.00 106 F 8.95 4.98 0.00 3.13 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 0.00 107 G 8.34 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 7.69 4.09 0.00 1.75 1.57 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.69 5.09 0.00 2.69 2.43 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 0.00 130 V 8.02 4.52 0.69 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 0.89 0.00 0.00 0.77 0.00 0.00 131 T 9.00 4.71 4.11 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 1.12 0.00 0.00 132 V 7.56 4.54 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 1.06 0.00 0.00 0.94 0.00 0.00 133 N 8.69 5.01 0.00 2.80 2.65 0.00 0.00 6.99 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 0.00 134 L 8.36 4.93 0.00 1.66 1.59 1.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.42 4.24 1.60 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 0.40 0.00 0.00 0.17 0.00 0.00 136 R 8.23 4.29 0.00 1.75 1.80 0.00 3.04 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 137 P 0.00 4.48 0.00 2.04 2.10 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 138 G 8.26 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 0.00 0.00 0.00 0.00 139 Y 7.83 4.73 0.00 2.94 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 0.00 140 R 7.90 3.90 0.00 1.94 1.91 0.00 3.26 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 141 V 7.87 3.53 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 0.96 0.00 0.00 0.92 0.00 0.00 142 A 7.52 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.00 4.20 0.00 1.79 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.00 1.46 7.81 144 R 7.61 4.34 0.00 1.91 2.02 0.00 3.01 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 145 D 8.29 4.62 0.00 2.63 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 0.00 146 K 7.97 3.79 0.00 1.73 1.78 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 147 A 8.59 3.72 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.53 4.61 0.00 3.84 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 0.00 149 R 8.37 4.65 0.00 1.86 1.72 0.00 3.12 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 150 S 8.45 4.59 0.00 3.91 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 0.00 151 I 8.21 3.94 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 1.06 0.00 0.00 152 P 0.00 4.48 0.00 2.21 2.00 0.00 3.64 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 153 T 8.37 4.09 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 1.23 0.00 0.00 154 K 7.97 4.24 0.00 1.79 1.93 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.50 7.81 155 H 7.81 4.78 0.00 3.11 3.31 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.74 4.21 0.00 1.87 1.87 0.00 3.49 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 157 L 8.20 4.06 0.00 1.51 1.77 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.52 4.71 0.00 2.82 2.69 0.00 0.00 7.14 8.03 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 0.00 159 P 0.00 4.23 0.00 2.11 2.12 0.00 3.58 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 2.13 2.44 0.00 160 A 7.79 3.88 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 0.00 161 D 7.99 4.34 0.00 2.69 2.63 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 0.00 162 A 7.72 3.94 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 0.00 163 V 7.15 3.20 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 0.78 0.00 0.00 0.01 0.00 0.00 164 A 7.80 4.00 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 0.00 165 F 7.54 4.29 0.00 2.83 3.30 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 0.00 0.00 0.00 0.00 166 I 7.49 3.70 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.82 0.00 0.00 167 E 7.94 4.03 0.00 2.04 1.90 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 2.25 2.25 0.00 168 S 7.37 4.42 0.00 4.00 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 0.00 169 T 7.06 4.10 4.11 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 1.27 0.00 0.00 170 Y 8.22 3.63 0.00 3.09 3.02 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 0.00 171 D 7.59 4.49 0.00 2.68 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 0.00 172 V 7.98 4.32 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 0.83 0.00 0.00 0.91 0.00 0.00 173 E 7.92 4.47 0.00 2.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 174 V 8.62 3.60 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 0.73 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.