NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4300 8.3344 116.7855 56.4044 65.2409 174.8443 3 D 5.1192 7.1570 130.7227 55.0028 40.6263 176.4888 4 F 4.9417 7.3145 115.8775 56.1816 44.0068 172.9037 5 N 5.1975 8.8028 120.4932 52.0612 39.2753 172.9930 6 L 5.2389 8.2351 120.5261 54.3447 46.2604 174.3500 7 V 4.8360 9.6654 126.4204 59.7664 34.6098 174.5136 8 G 3.3347 8.7834 112.2727 43.9897 0.0000 171.8795 9 V 4.4225 8.6413 119.6700 60.0242 33.4608 175.0595 10 I 4.7882 8.6076 127.1688 59.4521 39.8370 174.6563 11 R 4.6633 8.8705 128.7559 55.8497 31.4126 175.5186 12 V 5.1708 8.9061 129.2523 60.2076 34.7744 172.4199 *14 P 4.6463 0.0000 0.0000 62.7592 31.9598 177.0929 15 T 4.1500 8.2859 118.6984 66.9048 68.8166 174.1595 16 D 4.4990 7.8242 116.8292 51.7955 41.5559 173.5323 17 P 4.3349 0.0000 0.0000 65.2280 31.3401 176.7863 18 D 4.6505 7.8253 118.3996 51.2877 38.0082 174.3433 19 V 4.0317 7.5942 124.2362 60.8430 33.1869 173.9332 20 N 4.1974 8.9100 126.8618 54.3545 39.5155 174.4865 21 L 4.2142 8.4483 129.5464 58.4597 40.6889 178.1912 22 D 4.5162 8.2117 119.5369 56.9773 40.7565 177.9830 23 E 4.3625 8.1649 116.7020 57.5585 30.1235 178.0658 24 L 4.0308 7.4165 120.4277 57.6784 41.9764 178.2732 25 E 4.0498 8.7920 120.0192 59.3856 29.7969 178.3004 26 E 3.9614 7.9090 117.4418 59.7711 29.3218 179.8370 27 K 4.1055 7.7714 117.0250 59.1184 32.3409 179.1539 28 L 4.0090 7.6340 119.4054 57.5707 41.5259 179.4030 29 K 3.9081 8.4269 118.7098 59.3805 31.7936 178.5766 30 K 4.2611 7.5389 115.1051 57.3027 32.2204 178.1012 31 V 4.2088 8.2205 118.9739 62.7379 32.4218 176.0446 32 I 3.6289 6.8952 119.2184 60.7064 37.5921 174.2675 33 P 4.5022 0.0000 0.0000 62.3987 31.9793 176.9095 34 E 4.0574 8.8526 121.3010 59.3937 29.7122 178.5151 35 K 4.0552 8.0224 116.8801 59.3708 32.2487 176.7527 36 Y 4.8085 7.6771 115.0355 57.5212 38.9133 175.4736 37 G 3.9440 8.7586 108.9661 44.2138 0.0000 171.9616 38 L 5.0584 8.2850 121.8535 53.1189 43.7842 175.8136 39 A 4.3387 9.1348 130.1903 53.7177 18.0747 177.0344 40 K 4.5286 7.7299 111.0857 55.5220 36.6519 174.4975 41 V 4.6058 8.1667 120.3567 61.4220 33.3913 174.4636 42 E 4.6163 9.1021 127.9779 55.1409 31.9881 175.3599 43 R 4.9924 8.3633 120.4897 54.5235 32.4679 175.4375 44 E 4.5177 9.3030 124.8474 53.5836 31.9568 173.1985 45 P 4.7874 0.0000 0.0000 62.5681 31.1890 175.8702 46 I 3.9928 7.9189 126.8303 61.1850 38.1115 175.3137 47 A 4.4101 7.8540 119.8792 52.6872 22.1838 175.8557 48 F 3.3902 9.4766 116.6148 58.6614 36.4437 177.1263 49 G 3.8309 8.3582 106.6534 45.4492 0.0000 173.8504 50 L 4.2674 7.8271 123.0980 54.1539 41.5121 175.2955 51 V 4.8297 8.1414 125.7759 60.1670 33.4556 175.2454 52 A 4.8222 9.5122 125.9792 50.8060 21.4591 175.7014 53 L 4.8365 8.5495 120.1669 52.9579 44.4280 175.8885 54 K 4.7611 9.0520 123.6525 54.7464 34.5239 175.0035 55 F 4.7039 9.3348 125.2819 56.9183 40.7590 175.5816 56 Y 4.2281 9.1106 123.0503 56.5422 37.0266 174.3915 57 V 4.3276 8.6189 123.4432 62.5481 33.4661 174.2369 58 L 5.1982 9.4891 128.0361 53.4691 44.4911 176.1132 59 G 4.0589 9.4755 109.1491 46.0251 0.0000 171.9740 60 R 4.8963 6.9313 118.0183 54.3429 34.1606 175.4424 61 D 4.6777 8.3827 121.3642 52.3204 40.0241 175.2930 62 E 4.7392 7.3904 118.8459 54.2216 33.1173 174.9822 63 E 4.0836 8.6664 120.9426 58.0584 29.9665 176.6911 64 G 3.9240 8.8617 112.9408 45.4185 0.0000 173.0596 65 Y 4.2573 7.6139 117.1749 56.0135 39.3772 175.3718 66 S 4.3814 9.6580 120.1087 55.6848 64.7351 174.4484 67 F 4.3120 8.5650 127.9847 60.6067 38.7376 177.3510 68 D 4.3928 8.1585 118.2626 57.2019 40.4677 178.2483 69 E 3.8988 7.8644 119.8114 59.2464 29.6645 179.1972 70 V 3.3186 7.3390 111.5586 63.4771 31.5941 178.3201 71 A 3.6376 7.5600 120.9296 55.1396 18.0704 179.5490 72 E 4.0048 7.9291 115.2724 58.8965 29.2684 179.1045 73 K 4.2025 7.4962 118.5519 58.4688 32.2752 179.1649 74 F 4.6171 7.9282 118.6058 60.4315 38.5592 177.0193 75 E 4.1617 8.0966 113.9806 57.1844 28.9838 177.2043 76 E 4.4996 7.6488 118.9522 56.6298 31.1138 176.8996 77 V 3.7485 7.6785 119.9753 62.1410 32.1286 175.1064 78 E 4.1819 8.4095 127.5770 57.6357 30.3778 176.0498 79 N 4.4770 9.1001 120.1643 53.2147 35.6917 173.6199 80 V 4.3815 6.9689 117.8894 60.9578 33.0185 175.1465 81 E 4.0732 9.0241 128.9447 58.8786 29.8506 176.0682 82 S 4.8507 7.5406 110.3367 57.7941 66.4414 173.5713 83 A 4.9732 8.9332 122.0901 50.8535 21.6472 175.5595 84 E 4.7153 9.1049 122.0600 54.5285 33.5646 175.6820 85 V 4.1646 8.3364 123.2661 62.6888 31.5363 175.2937 86 E 4.3591 9.0709 128.8636 58.8690 30.4263 177.2201 87 T 4.7273 7.4282 113.5884 62.0320 73.4953 173.2865 88 V 4.6841 8.2212 123.2297 61.4770 34.3151 174.7126 89 S 4.8336 9.5920 123.6993 56.6408 67.5909 173.6637 90 R 4.7200 8.6743 122.2011 56.2172 30.7909 176.6852 91 I 4.2987 8.1974 116.2509 61.1631 37.4354 175.0432 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 S 8.33 4.43 0.00 3.86 3.94 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 0.00 0.00 0.00 3 D 7.16 5.12 0.00 2.62 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 4 F 7.31 4.94 0.00 3.10 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 5 N 8.80 5.20 0.00 2.80 2.95 0.00 0.00 5.67 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.24 5.24 0.00 1.89 1.75 1.04 1.43 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 7 V 9.67 4.84 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 0.77 0.00 0.00 0.98 0.00 0.00 8 G 8.78 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.64 4.42 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 0.10 0.00 0.00 0.80 0.00 0.00 10 I 8.61 4.79 2.05 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 1.03 0.00 0.00 11 R 8.87 4.66 0.00 1.89 1.81 0.00 3.22 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 12 V 8.91 5.17 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 1.20 0.00 0.00 0.90 0.00 0.00 *14 P 0.00 4.65 0.00 2.01 2.01 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 15 T 8.29 4.15 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 1.21 0.00 0.00 16 D 7.82 4.50 0.00 2.70 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 17 P 0.00 4.33 0.00 2.09 2.22 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 18 D 7.83 4.65 0.00 2.80 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 19 V 7.59 4.03 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 0.81 0.00 0.00 1.04 0.00 0.00 20 N 8.91 4.20 0.00 2.79 2.74 0.00 0.00 6.87 6.66 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 21 L 8.45 4.21 0.00 1.90 1.89 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.21 4.52 0.00 2.86 2.78 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 0.00 0.00 0.00 0.00 23 E 8.16 4.36 0.00 2.14 2.19 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 2.54 2.31 0.00 24 L 7.42 4.03 0.00 1.93 1.78 0.89 0.81 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 25 E 8.79 4.05 0.00 2.11 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 2.36 2.30 0.00 26 E 7.91 3.96 0.00 2.15 2.03 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 2.35 2.45 0.00 27 K 7.77 4.11 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 28 L 7.63 4.01 0.00 1.51 0.57 0.55 0.68 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 29 K 8.43 3.91 0.00 1.87 1.98 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.76 1.92 7.81 30 K 7.54 4.26 0.00 2.07 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.61 7.81 31 V 8.22 4.21 2.41 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 0.98 0.00 0.00 1.04 0.00 0.00 32 I 6.90 3.63 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.98 0.00 0.00 33 P 0.00 4.50 0.00 2.68 2.10 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 34 E 8.85 4.06 0.00 1.96 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 2.33 2.40 0.00 35 K 8.02 4.06 0.00 1.03 1.52 0.00 1.01 0.00 0.00 1.06 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.23 7.81 36 Y 7.68 4.81 0.00 3.11 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 37 G 8.76 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.29 5.06 0.00 1.72 1.63 1.21 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.13 4.34 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 40 K 7.73 4.53 0.00 1.62 1.72 0.00 1.09 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.80 7.81 41 V 8.17 4.61 1.84 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 0.71 0.00 0.00 42 E 9.10 4.62 0.00 2.11 1.85 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 2.17 2.12 0.00 43 R 8.36 4.99 0.00 1.63 1.80 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 44 E 9.30 4.52 0.00 1.97 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 2.25 0.00 45 P 0.00 4.79 0.00 2.07 1.97 0.00 3.71 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 2.01 2.09 0.00 46 I 7.92 3.99 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 0.94 0.00 0.00 47 A 7.85 4.41 1.37 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 0.00 0.00 48 F 9.48 3.39 0.00 3.19 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 49 G 8.36 3.83 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 0.00 0.00 0.00 50 L 7.83 4.27 0.00 1.80 1.78 0.94 0.90 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 51 V 8.14 4.83 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 0.75 0.00 0.00 0.97 0.00 0.00 52 A 9.51 4.82 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 53 L 8.55 4.84 0.00 1.69 1.44 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.05 4.76 0.00 1.84 1.69 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.31 1.38 7.81 55 F 9.33 4.70 0.00 3.10 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 56 Y 9.11 4.23 0.00 3.15 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 57 V 8.62 4.33 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 1.13 0.00 0.00 0.95 0.00 0.00 58 L 9.49 5.20 0.00 0.78 1.06 0.82 0.73 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 59 G 9.48 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 60 R 6.93 4.90 0.00 0.67 1.45 0.00 3.09 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.10 0.00 61 D 8.38 4.68 0.00 2.64 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 62 E 7.39 4.74 0.00 2.18 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 2.21 2.57 0.00 63 E 8.67 4.08 0.00 1.96 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 2.29 2.27 0.00 64 G 8.86 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 0.00 0.00 0.00 65 Y 7.61 4.26 0.00 3.09 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 66 S 9.66 4.38 0.00 3.73 3.66 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 67 F 8.56 4.31 0.00 3.16 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 68 D 8.16 4.39 0.00 2.69 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 69 E 7.86 3.90 0.00 1.96 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 0.00 2.23 2.30 0.00 70 V 7.34 3.32 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 -0.05 0.00 0.00 0.36 0.00 0.00 71 A 7.56 3.64 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.93 4.00 0.00 2.06 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 2.33 2.45 0.00 73 K 7.50 4.20 0.00 1.70 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.53 7.81 74 F 7.93 4.62 0.00 3.18 2.88 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 75 E 8.10 4.16 0.00 1.98 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 2.39 2.59 0.00 76 E 7.65 4.50 0.00 2.09 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 2.25 2.41 0.00 77 V 7.68 3.75 2.18 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 0.89 0.00 0.00 0.93 0.00 0.00 78 E 8.41 4.18 0.00 1.95 1.83 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 2.29 2.39 0.00 79 N 9.10 4.48 0.00 2.97 3.05 0.00 0.00 6.40 7.68 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 80 V 6.97 4.38 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 0.86 0.00 0.00 0.93 0.00 0.00 81 E 9.02 4.07 0.00 2.06 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 2.29 2.36 0.00 82 S 7.54 4.85 0.00 3.90 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 83 A 8.93 4.97 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 84 E 9.10 4.72 0.00 1.88 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 2.36 0.00 85 V 8.34 4.16 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 0.74 0.00 0.00 0.95 0.00 0.00 86 E 9.07 4.36 0.00 1.79 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 2.27 2.39 0.00 87 T 7.43 4.73 4.14 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 1.17 0.00 0.00 88 V 8.22 4.68 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 1.02 0.00 0.00 1.03 0.00 0.00 89 S 9.59 4.83 0.00 3.71 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 90 R 8.67 4.72 0.00 1.72 1.89 0.00 3.17 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 91 I 8.20 4.30 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.