NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4556 8.2893 120.3252 55.2013 33.4294 174.2667 1 V 3.9891 8.2213 121.7268 59.3225 33.2741 174.0709 2 D 4.7413 8.6247 123.4883 52.6062 42.8807 177.4892 3 F 4.0724 9.0479 129.3471 61.7229 39.4451 176.6733 4 A 3.9572 8.4061 119.5320 55.0311 18.0965 179.2661 5 F 3.9668 8.4291 118.8001 61.5410 39.4989 177.3445 6 E 3.8849 8.4479 118.3767 59.1257 29.1482 179.0681 7 L 3.6628 8.0132 123.2001 58.5550 41.9847 179.8752 8 K 3.8057 7.7249 123.5717 59.5624 31.5942 180.7631 9 K 3.8240 7.9194 121.2247 59.1959 31.9692 178.8463 10 A 4.0747 8.2267 121.5273 54.9544 18.0341 179.4375 11 Q 3.7837 7.9223 117.7247 59.1926 29.1743 177.6500 12 D 4.3892 8.1510 118.7541 56.8250 41.4584 177.3741 13 T 4.5365 7.9621 107.1823 62.5571 70.6809 175.1155 14 G 4.3061 8.4325 112.6321 46.5478 0.0000 174.2156 15 K 4.8954 9.3638 126.6537 53.3420 35.9319 173.0841 16 I 4.9791 8.3755 117.8707 58.0705 40.6508 174.7276 17 V 4.3580 8.7145 124.6851 61.4344 33.8182 174.1629 18 M 4.8380 8.4443 126.4670 54.5130 34.6984 175.7168 19 G 4.1001 9.0195 109.6514 44.6188 0.0000 174.9431 20 A 4.0616 9.0942 126.3491 55.7327 18.4621 181.1978 21 K 4.0015 7.9962 121.6357 59.9024 31.9055 181.1880 22 K 4.3919 8.0376 119.2755 59.3157 31.6996 179.6194 23 S 4.2386 8.2025 115.6727 61.5470 62.7035 176.7490 24 I 3.8449 8.1244 122.7887 64.4475 36.6732 178.1974 25 Q 3.8674 7.9150 118.9777 59.5424 29.2202 177.7027 26 Y 3.9049 8.7447 117.8577 60.8419 37.9783 178.5154 27 A 4.0858 8.1850 121.8339 55.1790 18.3312 179.7976 28 K 3.8470 8.2162 116.2468 59.0262 30.7571 178.3556 29 M 4.4580 7.9105 116.9545 53.9607 32.6239 177.3412 30 G 3.8813 7.5263 105.8579 46.3211 0.0000 173.8626 31 G 4.1058 7.5336 105.1134 45.0876 0.0000 173.9666 32 A 4.8459 7.7708 120.5311 50.1455 22.3868 176.8121 33 K 4.4147 9.0593 118.8756 57.9345 33.5112 177.4208 34 L 4.9145 7.7083 120.1907 53.5378 46.0138 174.5876 35 I 4.9712 8.9798 126.1079 59.6124 40.2565 174.3596 36 I 5.2122 8.7502 127.7877 59.7138 39.6264 175.1210 37 V 5.0218 8.9071 120.0093 59.2381 35.2504 175.2805 38 A 4.5031 9.2288 125.8591 51.6430 19.1001 178.8412 39 R 3.7761 8.5255 121.1341 58.7732 30.2283 177.2609 40 N 4.8776 7.8206 113.2235 52.2117 37.9156 174.7225 41 A 4.1448 7.6295 121.6950 52.4253 19.1977 179.2064 42 K 3.8546 8.7105 120.2705 56.7555 33.4666 176.7262 43 P 4.2532 0.0000 0.0000 65.5016 31.2386 178.4696 44 D 4.4385 8.1766 120.0562 56.5783 39.6795 179.2289 45 I 3.7309 7.7130 121.2062 64.9168 35.5542 181.1214 46 K 4.2329 8.4438 124.4039 59.8699 31.9206 179.4320 47 E 3.9658 8.4455 118.7979 61.2013 29.7276 180.4989 48 D 4.6280 8.2347 120.5809 57.5121 40.9173 179.1959 49 I 3.8576 7.8655 119.6502 64.7105 37.2334 178.2868 50 E 4.0021 8.1811 119.0826 59.6625 29.1807 178.5702 51 Y 3.9661 8.4104 119.7709 61.2531 38.8551 178.0014 52 Y 4.1670 8.2119 117.1535 61.0113 38.0396 178.5157 53 A 4.1302 8.6405 122.2148 54.7622 18.0229 179.6320 54 K 3.9613 8.1601 118.5465 59.6416 32.0281 179.1418 55 L 4.0433 7.4200 118.6285 56.8346 41.6071 178.5134 56 S 4.6340 8.0214 111.4243 57.0329 64.0837 173.8062 57 G 3.7995 7.6232 108.5189 47.3309 0.0000 173.9010 58 I 4.5915 7.9879 118.8428 58.5471 39.7271 175.4964 59 P 4.5858 0.0000 0.0000 62.4452 32.7198 175.2829 60 V 4.9872 8.3929 122.1165 61.3122 34.4172 173.9304 61 Y 4.8353 9.6118 128.6481 55.7660 42.1746 173.7091 62 E 4.7166 8.0199 127.4004 54.4640 30.2552 175.2739 63 F 4.2088 8.7388 131.3026 58.2244 40.2317 175.5293 64 E 3.7540 8.1623 122.5697 56.6692 30.3068 176.3090 65 G 3.3988 5.3800 110.2068 44.1231 0.0000 173.1367 66 T 4.6358 7.8794 110.3553 60.6942 71.4211 175.4605 67 S 4.5486 8.9301 117.0776 60.1180 63.0133 176.7997 68 V 3.5798 7.7364 122.3116 66.0502 31.4522 177.3137 69 E 4.0040 8.0177 119.1940 59.1065 29.4164 178.3046 70 L 3.9856 8.3807 120.6290 58.3070 42.1237 179.3371 71 G 3.6770 7.9826 106.3389 47.5074 0.0000 175.5695 72 T 3.8688 8.1097 118.1933 66.5265 68.2661 176.6535 73 L 4.0468 8.2587 120.0429 57.4220 41.7203 178.7293 74 L 4.4903 7.4768 116.1178 54.5815 41.8788 177.3925 75 G 3.8575 7.9631 107.1811 45.6616 0.0000 173.2214 76 K 4.5085 8.3433 118.9412 53.7338 34.1828 175.3171 77 P 4.6687 0.0000 0.0000 63.1881 30.9511 175.1590 78 H 5.0640 7.5013 113.3464 53.2753 31.7863 172.8296 79 T 4.2035 8.4174 109.8430 61.8540 68.8358 173.8065 80 V 4.4964 8.8500 123.6880 61.5206 33.8862 175.8442 81 S 4.7058 8.9542 122.4428 59.7287 64.8847 173.3108 82 A 5.2459 7.8034 120.9710 51.2109 22.9024 174.4937 83 L 4.9447 9.1919 117.4019 55.2769 44.4504 174.1230 84 A 4.9989 9.1704 122.8943 50.1641 21.9580 175.9022 85 V 4.0900 8.9127 123.3731 62.1453 31.7439 176.5397 86 V 3.8724 8.3655 129.4871 64.9528 32.6701 175.8476 87 D 4.7040 7.7361 120.6376 52.0167 43.8365 174.3878 88 P 4.4472 0.0000 0.0000 63.4294 32.6522 177.5499 89 G 3.6810 8.0834 108.4900 47.3839 0.0000 175.4477 90 E 4.2838 9.7074 125.0720 56.2171 29.6198 176.2668 91 S 4.5222 7.8087 114.5700 57.9747 64.1614 173.8284 92 R 4.6368 8.4884 115.0841 55.6639 29.7150 178.3949 93 I 3.6077 7.7814 121.8461 65.1164 38.0685 177.3317 94 L 4.1136 7.8242 117.6742 56.2235 41.4728 177.7599 95 A 4.1548 7.7731 121.7620 54.4909 18.5752 179.0373 96 L 3.7441 7.8971 116.1520 57.3612 41.8233 177.5163 *97 G 3.7274 7.9509 111.0290 45.7145 0.0000 172.2883 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 M 8.29 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 1 V 8.22 3.99 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 0.71 0.00 0.00 0.97 0.00 0.00 2 D 8.62 4.74 0.00 2.82 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 3 F 9.05 4.07 0.00 3.36 3.28 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 4 A 8.41 3.96 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 5 F 8.43 3.97 0.00 3.36 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 6 E 8.45 3.88 0.00 1.87 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 2.72 2.49 0.00 7 L 8.01 3.66 0.00 0.82 1.18 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.72 3.81 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 9 K 7.92 3.82 0.00 1.31 1.70 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.54 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.33 1.38 7.81 10 A 8.23 4.07 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 11 Q 7.92 3.78 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 12 D 8.15 4.39 0.00 2.68 2.68 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 13 T 7.96 4.54 4.20 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 1.14 0.00 0.00 14 G 8.43 4.31 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 0.00 15 K 9.36 4.90 0.00 1.34 1.62 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.24 7.81 16 I 8.38 4.98 1.78 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 1.15 1.07 0.82 0.00 0.00 17 V 8.71 4.36 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 0.96 0.00 0.00 0.64 0.00 0.00 18 M 8.44 4.84 0.00 1.93 1.94 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 2.47 2.49 0.00 19 G 9.02 4.10 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 0.00 20 A 9.09 4.06 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 21 K 8.00 4.00 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 22 K 8.04 4.39 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.58 7.81 23 S 8.20 4.24 0.00 4.12 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 24 I 8.12 3.84 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.95 0.00 0.00 25 Q 7.92 3.87 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 26 Y 8.74 3.90 0.00 3.20 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 27 A 8.18 4.09 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 0.00 0.00 28 K 8.22 3.85 0.00 1.67 1.66 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.37 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.42 7.81 29 M 7.91 4.46 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.40 0.00 30 G 7.53 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.53 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 32 A 7.77 4.85 1.27 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 0.00 0.00 33 K 9.06 4.41 0.00 1.59 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.52 7.81 34 L 7.71 4.91 0.00 1.73 1.44 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.98 4.97 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 1.28 0.96 1.03 0.00 0.00 36 I 8.75 5.21 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 1.26 0.00 0.00 37 V 8.91 5.02 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 0.75 0.00 0.00 0.97 0.00 0.00 38 A 9.23 4.50 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 39 R 8.53 3.78 0.00 1.75 1.94 0.00 3.09 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 40 N 7.82 4.88 0.00 2.85 2.85 0.00 0.00 5.98 7.26 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 41 A 7.63 4.14 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 K 8.71 3.85 0.00 1.82 1.95 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.57 7.81 43 P 0.00 4.25 0.00 2.15 2.09 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 44 D 8.18 4.44 0.00 2.90 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 45 I 7.71 3.73 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 1.52 0.70 0.91 0.00 0.00 46 K 8.44 4.23 0.00 1.82 2.01 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 47 E 8.45 3.97 0.00 2.00 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 2.24 2.22 0.00 48 D 8.23 4.63 0.00 3.10 2.95 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 49 I 7.87 3.86 1.95 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 1.63 0.92 0.99 0.00 0.00 50 E 8.18 4.00 0.00 2.22 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 2.36 2.47 0.00 51 Y 8.41 3.97 0.00 2.94 2.92 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 52 Y 8.21 4.17 0.00 3.17 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 53 A 8.64 4.13 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.16 3.96 0.00 1.89 1.85 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 55 L 7.42 4.04 0.00 1.70 1.66 0.51 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.02 4.63 0.00 4.05 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 57 G 7.62 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 58 I 7.99 4.59 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 1.01 0.00 0.00 59 P 0.00 4.59 0.00 2.12 2.00 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 60 V 8.39 4.99 2.14 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 0.90 0.00 0.00 0.99 0.00 0.00 61 Y 9.61 4.84 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.02 4.72 0.00 1.85 1.56 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 1.98 2.27 0.00 63 F 8.74 4.21 0.00 2.85 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 64 E 8.16 3.75 0.00 1.87 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 1.92 1.94 0.00 65 G 5.38 3.40 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 0.00 66 T 7.88 4.64 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 67 S 8.93 4.55 0.00 4.12 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.58 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 1.06 0.00 0.00 0.96 0.00 0.00 69 E 8.02 4.00 0.00 2.16 2.31 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 2.66 2.49 0.00 70 L 8.38 3.99 0.00 2.10 1.88 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.98 3.68 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 72 T 8.11 3.87 4.56 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 1.28 0.00 0.00 73 L 8.26 4.05 0.00 1.71 1.67 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.48 4.49 0.00 1.68 1.66 0.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.96 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 76 K 8.34 4.51 0.00 1.71 1.39 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.46 7.81 77 P 0.00 4.67 0.00 2.04 2.07 0.00 3.50 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 78 H 7.50 5.06 0.00 3.28 3.37 0.00 5.27 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.42 4.20 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 80 V 8.85 4.50 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 1.04 0.00 0.00 0.97 0.00 0.00 81 S 8.95 4.71 0.00 3.97 4.13 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 82 A 7.80 5.25 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 83 L 9.19 4.94 0.00 1.86 1.72 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.17 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.91 4.09 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 0.66 0.00 0.00 0.90 0.00 0.00 86 V 8.37 3.87 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 0.86 0.00 0.00 0.64 0.00 0.00 87 D 7.74 4.70 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.22 2.26 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 89 G 8.08 3.68 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 90 E 9.71 4.28 0.00 1.89 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 0.00 2.29 2.21 0.00 91 S 7.81 4.52 0.00 4.13 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 92 R 8.49 4.64 0.00 2.00 2.15 0.00 2.78 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 93 I 7.78 3.61 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.41 0.85 0.00 0.00 94 L 7.82 4.11 0.00 1.66 1.70 0.92 0.77 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 95 A 7.77 4.15 1.29 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 0.00 0.00 0.00 96 L 7.90 3.74 0.00 1.45 0.84 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 *97 G 7.95 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.