NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5431 8.4444 117.3854 54.2539 29.2676 171.9500 *3 D 4.1869 8.5533 117.0150 56.3165 41.7483 175.7374 4 F 4.8270 8.3365 123.8563 57.4514 39.5269 177.4299 5 D 4.4016 7.9679 122.5625 56.6001 40.7253 178.5814 6 F 4.2991 8.1986 113.3521 59.2556 38.0477 176.4942 7 L 3.6139 6.7962 121.3998 56.6924 41.5584 177.0293 8 E 3.9076 7.4591 118.9699 57.9534 29.5648 177.1260 9 G 3.9570 8.7381 113.0482 44.9378 0.0000 174.0250 10 K 4.2234 7.5798 119.5285 56.8247 33.0892 176.3239 11 R 5.2443 8.3264 118.1623 54.9109 32.9220 173.9500 12 L 4.7978 8.9095 121.4933 54.1599 46.0083 174.5691 13 T 5.2492 8.5969 121.3282 61.9150 71.9377 173.1265 14 E 4.7534 9.2594 124.2111 54.5253 34.2163 174.1983 15 D 4.9784 8.7669 123.4226 53.8356 42.1276 175.4386 16 V 4.5046 8.8473 126.1447 60.7933 34.6891 174.1884 17 A 4.5620 8.6689 129.9525 51.7557 19.3664 176.5948 18 L 4.3898 9.4192 124.6062 54.2441 42.8191 176.4136 19 D 5.0726 8.4101 124.2296 51.4006 41.7410 176.0196 20 E 4.1389 8.8081 118.3087 58.7293 29.9220 178.0871 21 T 4.1374 8.2758 111.5685 61.1606 67.8624 174.7681 *23 V 4.0201 7.5452 119.7663 62.0090 32.6867 174.8225 24 W 4.4532 9.4413 133.8280 57.7960 30.3229 175.2443 25 N 4.7255 8.5286 120.9984 52.0908 37.9308 175.6410 26 E 4.0238 7.9058 119.7852 58.8842 29.6751 176.7573 27 D 4.7274 6.2402 117.9076 52.0500 42.9826 175.9038 28 I 3.8244 8.2307 127.5857 64.3708 37.4090 177.6076 29 E 4.1664 7.8282 119.4081 56.4014 28.8654 178.0611 *31 L 4.2989 8.0668 120.8579 54.8017 43.6103 178.8861 32 D 4.5594 7.9841 115.9244 55.2029 39.5896 177.1112 33 L 4.0316 8.0974 119.2030 56.1641 42.6669 176.4041 34 H 4.0997 8.0503 115.1472 56.1329 27.9287 173.9973 35 L 4.9588 7.4291 120.6269 54.8417 43.9310 178.1488 36 V 4.3493 8.3759 121.8859 61.0056 32.6499 176.0468 37 A 4.1971 8.6591 125.6659 52.1669 19.4019 178.4572 38 T 3.7342 8.7157 117.9633 66.8820 68.6283 177.3296 39 S 4.1087 8.0634 115.3456 61.1264 63.2209 176.1935 40 A 3.9517 7.8517 123.9488 55.1149 18.2401 179.4545 41 L 3.9166 7.8111 117.3993 57.8849 41.5620 179.8329 42 I 3.5823 7.7785 120.0545 64.0805 36.9337 178.5548 43 G 3.5357 7.9074 106.6021 47.7886 0.0000 175.9253 44 V 3.5337 7.4299 120.2169 65.6572 31.3857 178.3877 45 V 3.5622 7.6513 117.9904 66.2154 31.5047 177.4984 46 H 3.7252 7.9046 116.0689 58.8836 28.5430 177.5959 47 R 3.9004 7.9581 120.3058 59.5147 29.8129 178.6802 48 V 3.6739 7.6152 118.3915 65.9738 31.4043 178.1083 49 S 3.9009 7.7465 114.0786 61.4285 62.6354 175.9895 50 Y 3.8708 7.8180 122.7239 60.3253 38.3538 177.4237 51 E 3.9620 8.1552 119.1465 59.1584 30.1079 178.0771 52 L 4.1877 8.1792 120.4835 58.4265 42.1923 178.8390 53 L 4.1395 8.2265 119.0343 58.0119 41.4314 179.8467 54 S 4.1976 7.9671 113.0167 61.2315 62.8081 176.2616 55 R 3.9167 7.5777 119.5742 57.8484 29.8305 176.4835 56 Y 4.8491 8.1028 113.8377 57.1399 40.2368 175.8737 57 L 4.4763 7.8824 119.2596 53.3910 42.7948 175.0204 58 P 4.5382 0.0000 0.0000 62.7425 31.8344 177.3034 59 N 4.6724 8.7974 117.1721 54.9496 38.7294 175.5790 60 D 4.7737 8.2211 117.2020 53.3779 40.6965 175.1202 61 Y 4.9276 7.9581 118.1195 57.0604 40.0591 174.8762 62 T 5.0182 9.0099 117.5020 60.5628 71.3149 171.9413 63 A 5.3011 8.6490 122.1027 50.8739 22.1132 176.3273 64 V 4.5585 8.6833 115.3485 59.1222 35.7580 175.3473 65 V 4.2682 8.4113 123.7679 63.3336 31.4130 175.9427 66 V 4.4402 8.7144 120.2520 61.7028 34.1299 175.5611 67 E 4.8183 8.0147 119.6292 55.5290 32.8601 173.6476 68 T 5.2625 8.3034 118.9297 61.1196 70.8389 172.3073 69 L 4.8951 9.1268 128.1938 53.5028 45.5942 174.8239 70 A 5.1814 8.6632 126.5577 50.3635 22.7368 174.9748 71 R 4.4864 9.0378 120.4573 54.6826 32.9018 174.6933 72 H 4.8241 8.8799 124.6807 55.1180 29.7266 174.1781 73 V 4.0749 8.6161 120.3590 62.6160 32.5823 177.1818 74 K 4.4798 7.8215 118.8940 53.9957 35.2222 175.5218 75 A 4.2036 8.3840 128.2561 52.3805 19.2138 177.0324 76 V 4.6878 7.8549 118.7026 59.5148 34.9666 172.4552 77 P 5.0639 0.0000 0.0000 62.1710 32.5051 175.8444 78 T 3.8909 8.9569 112.9399 62.6946 69.5487 173.9611 79 G 3.9258 9.2009 109.3167 46.4129 0.0000 173.4281 80 T 4.7407 7.6322 114.7943 61.3517 72.1462 172.9365 81 R 5.0516 8.5044 124.1266 55.1929 32.0843 175.6108 82 V 4.6444 8.7610 116.8495 59.6841 37.0164 174.0697 83 A 4.8663 8.5280 124.6293 50.8783 20.5993 176.1837 84 V 4.3691 8.9275 123.9404 61.3531 33.8336 174.6614 85 G 4.6000 9.0839 115.3774 44.5381 0.0000 171.9809 86 V 5.4274 8.9514 116.2204 59.5718 36.3674 174.8406 87 R 5.1585 8.9895 118.8648 54.7959 33.3678 174.2770 88 V 3.6027 8.5829 122.7814 62.9868 31.8366 176.4775 89 V 4.0667 8.1891 121.7086 61.3661 32.9124 176.4758 90 G 3.9687 6.9817 104.7343 45.3745 0.0000 172.6535 91 V 4.8932 8.7436 122.7625 60.7412 34.6522 175.2057 92 V 4.2912 8.6152 126.8961 61.8021 34.6720 175.5816 93 G 3.7997 8.3786 118.1983 47.2338 0.0000 173.0658 94 N 4.7106 8.9065 122.4897 52.3327 37.5835 173.5758 95 R 4.9328 8.0929 119.7323 55.1494 32.1091 175.3209 96 V 4.4765 8.7861 124.7009 60.8211 34.1366 174.0388 97 K 4.6925 8.8274 130.2850 55.4061 33.6890 175.1817 98 F 5.1019 9.1262 125.8409 55.6352 42.3118 174.3743 99 R 4.9771 8.7145 121.3331 54.7164 32.5867 175.6477 100 G 4.6787 9.4552 109.1859 44.7571 0.0000 171.1681 101 I 5.2003 9.0127 121.2007 59.1518 42.1514 174.1350 102 V 4.9766 8.8326 127.3980 60.2068 35.5856 174.5793 *104 S 4.4848 8.4802 116.0402 58.5806 63.1619 175.2845 105 G 3.8138 8.3137 122.5420 47.4002 0.0000 173.0476 106 D 4.6364 9.0874 122.6356 52.8266 40.0604 176.1542 107 E 4.5067 7.7098 119.5760 55.1859 30.2810 175.9688 108 K 4.0394 8.6455 126.0532 56.8690 33.0525 175.7778 109 I 4.2853 9.0997 127.4481 62.9150 39.1030 175.6520 110 L 5.1761 7.6019 122.4033 53.5830 45.5538 173.9017 111 E 5.3221 9.1299 123.0102 54.7050 33.0595 174.5552 112 A 5.3171 9.3514 122.1165 50.7179 23.7437 174.6523 113 E 5.2264 9.4163 120.0157 54.7104 33.2756 174.3842 114 F 5.4000 8.8050 120.8395 55.9142 42.3845 172.9840 115 V 4.9482 9.5648 118.8867 61.3074 34.4098 174.3759 116 R 5.2462 9.2085 126.1762 54.5508 33.3895 174.7379 117 A 5.1259 8.9472 124.3095 50.3550 21.3274 175.7840 118 I 4.6024 8.6350 125.0288 60.6557 38.1317 175.9502 119 V 4.6465 8.8206 126.2716 60.4159 35.4965 172.7084 120 P 4.2161 0.0000 0.0000 62.5029 32.1363 177.6549 121 R 3.9400 8.8682 122.2329 59.2782 29.9194 179.1404 122 E 3.9454 8.1725 116.9684 59.5583 29.2931 179.1495 123 K 3.8705 7.8681 119.9310 58.9870 32.3567 178.3913 124 L 3.9393 7.7210 120.2665 57.9996 42.0096 178.7515 125 R 3.8140 8.4033 118.9991 59.5574 29.8344 178.2828 126 R 3.8786 8.2729 116.6563 59.5523 30.4808 178.3146 127 L 4.0989 7.9241 118.0780 58.1658 41.4656 179.6273 128 A 4.0854 7.8320 121.4249 55.7861 18.3386 179.9051 129 L 4.1419 7.8892 122.4869 60.0412 40.9427 180.2545 130 E 4.3680 7.9660 118.1444 56.4296 29.6155 179.9620 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 *0 H 8.44 4.54 0.00 2.95 2.89 0.00 7.20 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 *3 D 8.55 4.19 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.34 4.83 0.00 3.01 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 5 D 7.97 4.40 0.00 2.93 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 0.00 6 F 8.20 4.30 0.00 3.10 3.18 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 7 L 6.80 3.61 0.00 1.38 1.38 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.46 3.91 0.00 2.02 1.81 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 2.22 2.11 0.00 9 G 8.74 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 0.00 0.00 0.00 10 K 7.58 4.22 0.00 1.58 1.64 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.27 1.14 7.81 11 R 8.33 5.24 0.00 1.78 1.85 0.00 3.03 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 12 L 8.91 4.80 0.00 1.85 1.57 0.98 0.73 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 13 T 8.60 5.25 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 1.29 0.00 0.00 14 E 9.26 4.75 0.00 1.85 1.79 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 2.24 2.26 0.00 15 D 8.77 4.98 0.00 2.68 2.59 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 16 V 8.85 4.50 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 0.99 0.00 0.00 0.99 0.00 0.00 17 A 8.67 4.56 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 18 L 9.42 4.39 0.00 1.66 1.64 0.92 1.00 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 19 D 8.41 5.07 0.00 2.65 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 0.00 20 E 8.81 4.14 0.00 1.93 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 2.28 2.36 0.00 21 T 8.28 4.14 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 1.24 0.00 0.00 *23 V 7.55 4.02 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 0.76 0.00 0.00 1.04 0.00 0.00 24 W 9.44 4.45 0.00 3.20 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 25 N 8.53 4.73 0.00 2.81 2.86 0.00 0.00 6.21 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 26 E 7.91 4.02 0.00 2.01 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 0.00 2.42 2.55 0.00 27 D 6.24 4.73 0.00 2.44 1.81 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 28 I 8.23 3.82 1.80 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 1.35 0.43 0.85 0.00 0.00 29 E 7.83 4.17 0.00 2.11 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 2.24 0.00 *31 L 8.07 4.30 0.00 1.67 1.70 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.98 4.56 0.00 2.80 2.80 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 33 L 8.10 4.03 0.00 1.78 1.83 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.05 4.10 0.00 3.59 3.60 0.00 5.45 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.43 4.96 0.00 1.90 1.67 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.38 4.35 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 0.69 0.00 0.00 0.94 0.00 0.00 37 A 8.66 4.20 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 38 T 8.72 3.73 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 39 S 8.06 4.11 0.00 4.03 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 40 A 7.85 3.95 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 41 L 7.81 3.92 0.00 1.78 1.61 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.78 3.58 1.87 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 1.31 0.59 0.50 0.00 0.00 43 G 7.91 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.43 3.53 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 0.96 0.00 0.00 0.97 0.00 0.00 45 V 7.65 3.56 1.86 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 1.09 0.00 0.00 0.97 0.00 0.00 46 H 7.90 3.73 0.00 3.25 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.96 3.90 0.00 1.93 2.07 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 48 V 7.62 3.67 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 1.12 0.00 0.00 1.02 0.00 0.00 49 S 7.75 3.90 0.00 2.72 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 50 Y 7.82 3.87 0.00 3.08 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 51 E 8.16 3.96 0.00 2.09 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 0.00 2.52 2.40 0.00 52 L 8.18 4.19 0.00 1.86 1.96 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.23 4.14 0.00 1.70 1.65 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.97 4.20 0.00 3.82 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 55 R 7.58 3.92 0.00 1.46 1.35 0.00 3.07 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 56 Y 8.10 4.85 0.00 3.05 3.31 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 57 L 7.88 4.48 0.00 1.69 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.54 0.00 2.57 2.08 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 59 N 8.80 4.67 0.00 2.77 2.92 0.00 0.00 6.87 8.06 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 60 D 8.22 4.77 0.00 2.76 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 61 Y 7.96 4.93 0.00 3.09 2.98 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 62 T 9.01 5.02 4.35 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 1.31 0.00 0.00 63 A 8.65 5.30 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 64 V 8.68 4.56 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 0.70 0.00 0.00 0.96 0.00 0.00 65 V 8.41 4.27 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 0.76 0.00 0.00 0.69 0.00 0.00 66 V 8.71 4.44 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 0.73 0.00 0.00 1.05 0.00 0.00 67 E 8.01 4.82 0.00 2.05 1.79 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 2.34 2.34 0.00 68 T 8.30 5.26 4.35 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 1.25 0.00 0.00 69 L 9.13 4.90 0.00 1.81 1.71 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.66 5.18 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 71 R 9.04 4.49 0.00 1.74 1.83 0.00 3.11 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 72 H 8.88 4.82 0.00 3.07 3.14 0.00 5.74 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.62 4.07 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 0.68 0.00 0.00 1.02 0.00 0.00 74 K 7.82 4.48 0.00 1.63 1.60 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.40 7.81 75 A 8.38 4.20 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 76 V 7.85 4.69 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 0.74 0.00 0.00 0.93 0.00 0.00 77 P 0.00 5.06 0.00 2.05 1.90 0.00 3.51 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 1.96 2.04 0.00 78 T 8.96 3.89 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 1.36 0.00 0.00 79 G 9.20 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 80 T 7.63 4.74 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 1.22 0.00 0.00 81 R 8.50 5.05 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 82 V 8.76 4.64 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 0.68 0.00 0.00 0.96 0.00 0.00 83 A 8.53 4.87 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 84 V 8.93 4.37 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 1.04 0.00 0.00 0.93 0.00 0.00 85 G 9.08 4.60 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 0.00 0.00 0.00 86 V 8.95 5.43 2.27 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 0.97 0.00 0.00 1.12 0.00 0.00 87 R 8.99 5.16 0.00 1.90 1.99 0.00 2.74 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 V 8.58 3.60 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 0.57 0.00 0.00 0.42 0.00 0.00 89 V 8.19 4.07 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 0.62 0.00 0.00 0.84 0.00 0.00 90 G 6.98 3.97 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 0.00 0.00 0.00 91 V 8.74 4.89 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 0.78 0.00 0.00 0.78 0.00 0.00 92 V 8.62 4.29 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 0.92 0.00 0.00 0.90 0.00 0.00 93 G 8.38 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 94 N 8.91 4.71 0.00 3.03 3.22 0.00 0.00 5.89 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 95 R 8.09 4.93 0.00 1.88 1.87 0.00 3.24 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 96 V 8.79 4.48 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 0.44 0.00 0.00 0.75 0.00 0.00 97 K 8.83 4.69 0.00 1.71 1.54 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.33 7.81 98 F 9.13 5.10 0.00 1.51 2.27 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 0.00 99 R 8.71 4.98 0.00 1.74 1.83 0.00 3.06 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 100 G 9.46 4.68 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 0.00 101 I 9.01 5.20 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.69 0.94 0.00 0.00 102 V 8.83 4.98 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 0.88 0.00 0.00 0.91 0.00 0.00 *104 S 8.48 4.48 0.00 3.92 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 0.00 105 G 8.31 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 0.00 0.00 0.00 106 D 9.09 4.64 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 107 E 7.71 4.51 0.00 2.06 1.92 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 2.27 2.37 0.00 108 K 8.65 4.04 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 109 I 9.10 4.29 1.96 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 1.30 0.97 0.93 0.00 0.00 110 L 7.60 5.18 0.00 1.55 1.38 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.13 5.32 0.00 2.08 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 0.00 2.18 2.24 0.00 112 A 9.35 5.32 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 0.00 113 E 9.42 5.23 0.00 2.04 1.80 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 2.19 2.22 0.00 114 F 8.81 5.40 0.00 3.30 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 0.00 115 V 9.56 4.95 2.15 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 1.12 0.00 0.00 0.95 0.00 0.00 116 R 9.21 5.25 0.00 2.03 1.90 0.00 3.24 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 117 A 8.95 5.13 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 0.00 118 I 8.63 4.60 1.16 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.34 0.51 0.00 0.00 119 V 8.82 4.65 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 0.83 0.00 0.00 1.00 0.00 0.00 120 P 0.00 4.22 0.00 2.03 1.55 0.00 3.60 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 1.96 1.51 0.00 121 R 8.87 3.94 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 122 E 8.17 3.95 0.00 2.16 2.20 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 2.29 2.30 0.00 123 K 7.87 3.87 0.00 1.85 2.00 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.55 7.81 124 L 7.72 3.94 0.00 1.78 1.74 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.40 3.81 0.00 1.97 2.05 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 126 R 8.27 3.88 0.00 1.92 2.00 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 127 L 7.92 4.10 0.00 1.90 1.74 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.83 4.09 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 0.00 129 L 7.89 4.14 0.00 1.78 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.97 4.37 0.00 2.00 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 2.26 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.