NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7564 8.1833 119.3551 57.5040 41.3103 173.2842 3 Y 4.8169 8.7845 119.7147 55.4069 41.1008 170.7447 4 E 5.1178 10.6072 127.8820 54.7884 32.4415 174.1286 5 I 4.9642 9.2389 128.2114 59.7785 39.9259 174.5729 6 R 5.0447 8.6433 126.7237 54.6461 32.5669 175.4267 7 T 4.8892 8.9165 120.4153 61.9932 71.5902 172.6896 8 Y 5.3814 8.9495 124.2772 56.1632 41.9946 174.7127 9 R 4.9142 9.1171 123.0863 54.8223 32.3047 175.5401 10 L 4.9032 8.8091 127.2119 52.9577 43.8679 176.4497 11 K 4.4704 8.8175 121.9558 55.8252 33.3420 175.5404 12 N 4.4756 8.7960 124.9982 56.1739 38.8589 174.7096 13 G 3.9253 9.3575 114.0529 45.6708 0.0000 173.8455 14 A 4.3857 8.1657 121.0318 52.5828 18.9290 179.5346 15 I 3.6847 7.7907 118.9101 63.9655 37.2181 176.1423 16 P 4.1527 0.0000 0.0000 65.5807 31.2392 178.4911 17 A 3.9767 7.9697 118.9065 55.2166 18.3917 178.6958 18 Y 3.9313 8.3558 118.2721 61.1132 38.9583 178.5053 19 L 4.0461 8.5967 120.1775 57.4564 41.5465 179.6398 20 K 3.8975 8.0497 119.9801 59.5402 32.2225 179.4223 21 V 3.6502 7.7195 119.4217 64.5578 31.3237 178.5907 22 V 3.5192 7.7359 119.0506 65.7373 31.1584 177.6390 23 E 3.8077 7.7850 117.7348 59.5091 29.5903 178.2631 24 D 4.5295 8.1829 117.8734 56.5084 41.0350 176.9612 25 E 4.6093 8.5911 115.2022 54.6455 32.1158 176.6921 26 G 3.0176 7.3386 104.3823 45.5732 0.0000 174.8987 27 I 3.7740 7.9412 121.4119 64.0717 37.9131 177.8148 28 E 3.9806 8.0399 118.6673 59.4280 29.2122 179.1423 29 I 3.6912 7.6819 119.3468 64.4556 37.1861 178.1050 30 Q 3.3548 8.2457 120.4733 59.0332 28.9862 178.4920 31 K 4.3620 8.6581 120.2391 59.3549 31.8846 179.4098 32 S 4.2129 8.0565 113.5327 60.6320 62.9275 175.4218 33 H 4.5681 7.1400 118.3720 57.9547 29.5484 177.0610 34 L 4.2481 7.8804 119.3224 54.7545 41.5517 177.8526 35 G 4.0033 8.6808 109.1323 43.5279 0.0000 174.1660 36 E 4.5381 9.0016 122.9620 54.1975 32.6381 175.7509 37 L 3.3649 8.2388 127.6372 54.2130 42.2712 176.4071 38 V 3.8367 8.5056 127.5330 65.0758 32.5450 176.3177 39 G 3.7376 6.9440 103.3084 45.5042 0.0000 172.1724 40 Y 4.6167 7.6125 122.6910 55.6334 41.3042 174.1422 41 F 5.4843 9.3309 125.4356 55.6209 43.4287 174.1625 42 F 5.7045 8.3679 114.8453 54.6942 40.7523 174.8889 43 S 4.2538 8.8361 115.5727 59.4885 63.1128 172.9245 44 E 4.5607 8.7156 119.6041 57.1378 32.9656 175.3331 45 I 4.5247 8.0479 118.7754 60.4033 40.7905 173.0029 46 G 3.9847 8.7924 114.1698 43.2648 0.0000 172.6559 47 P 4.3119 0.0000 0.0000 62.6386 31.7383 175.8929 48 I 4.2471 8.1810 123.6916 61.4729 38.6141 174.8266 49 N 4.3089 8.7199 117.7874 54.6626 35.8021 173.0978 50 E 5.2660 8.1794 118.1699 54.5528 32.6164 174.3913 51 I 5.1035 8.6397 126.2921 59.5354 40.8751 174.7713 52 V 4.8794 9.1173 126.3053 61.4534 34.6505 173.6958 53 H 5.0287 8.7455 123.1907 53.6022 31.9500 172.4256 54 I 5.1837 8.5229 121.2133 59.3849 40.5496 174.4588 55 W 5.0339 9.2243 125.7631 54.7081 32.5222 174.1276 56 A 4.7081 8.1686 125.8356 50.2186 20.0835 176.3086 57 F 4.9232 9.0249 121.3335 55.4255 41.6495 175.8790 58 S 4.3541 9.1750 118.2144 61.1036 63.3218 174.8773 59 S 4.9746 7.7239 113.6776 55.8101 67.1121 174.7409 60 L 3.7268 7.8184 121.8993 57.3972 41.3978 179.2422 61 D 4.3240 7.8327 118.5450 56.7525 40.8050 178.0040 62 D 4.2951 7.7526 118.7690 56.9943 41.1575 178.1304 63 R 3.0767 7.6636 119.0583 59.1049 30.0471 178.2212 64 A 3.8028 7.6903 120.4287 55.0805 18.3018 179.2096 65 E 3.8001 8.1125 117.5891 59.5365 29.7694 179.3164 66 R 3.9119 8.2264 118.4519 59.4137 29.9457 179.3618 67 R 3.8301 8.0378 116.6929 58.6718 30.0276 178.6443 68 A 4.0981 7.5804 120.1901 55.0837 18.6430 179.5776 69 R 4.0494 7.7953 116.2783 58.8433 29.8638 179.3067 70 L 3.5790 7.3450 117.3768 55.1978 42.0048 177.5674 *72 A 4.2495 7.9955 121.3074 51.2230 20.6563 177.2050 73 D 4.4380 7.7046 116.2115 53.6605 41.4757 175.2649 74 P 4.4269 0.0000 0.0000 65.7662 31.0525 178.4962 75 R 4.0890 8.7281 118.6533 58.6685 29.8923 178.5786 76 W 4.5018 8.3781 128.5198 60.5321 30.5423 178.2151 77 L 3.9414 8.0399 117.4998 57.7012 41.1722 179.0876 78 S 4.2825 7.8016 114.1036 60.6535 63.0763 176.0974 79 F 4.2907 7.8283 123.7805 61.0654 39.2919 177.3075 80 L 3.1141 7.4206 119.0402 57.3417 41.2019 177.9213 81 P 4.1540 0.0000 0.0000 64.8305 31.2847 178.0274 82 K 4.0871 7.7704 116.5977 57.4970 32.4406 177.2342 83 I 4.5133 7.3040 110.2058 59.7037 38.9745 177.1747 84 R 3.7517 7.9106 121.2268 59.0349 29.9008 176.4157 85 D 4.7613 7.8150 114.2188 54.0694 41.7328 176.8112 86 L 4.2629 7.7346 120.0614 55.9351 42.2820 176.4287 87 I 4.4836 7.5486 119.5126 60.2400 38.2438 174.6974 88 E 4.4039 9.3533 125.6584 57.9195 31.0072 176.4041 89 V 4.6192 7.6397 117.7577 61.1659 35.2109 173.7496 90 A 5.6482 8.5098 126.4054 50.8046 22.6095 174.6848 91 E 4.9904 8.5390 114.2930 55.9386 32.2749 174.3640 92 N 5.7760 8.8130 117.5942 51.4792 40.9923 173.3625 93 K 4.7766 9.0569 117.9204 55.7837 36.4259 175.1096 94 I 5.3894 8.1846 121.5366 58.9984 39.8239 175.2493 *96 K 4.1584 8.3701 122.4129 55.5988 33.0846 174.2368 97 P 4.2061 0.0000 0.0000 61.9708 32.4098 176.2090 98 A 3.9375 7.8296 123.3045 51.5730 18.9241 178.7476 99 R 3.7930 8.1745 119.0249 58.7640 30.2216 177.9052 100 F 4.7982 6.9755 110.6213 56.3856 38.1752 175.1650 101 S 4.4548 7.5385 116.1040 57.1402 63.0220 172.4734 102 P 4.3850 0.0000 0.0000 65.5542 31.4488 176.4222 103 L 4.2429 7.6785 121.0368 54.9884 41.5752 176.6515 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 F 8.18 4.76 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 3 Y 8.78 4.82 0.00 3.08 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 4 E 10.61 5.12 0.00 2.24 2.22 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 2.43 2.40 0.00 5 I 9.24 4.96 1.93 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 1.31 0.75 0.93 0.00 0.00 6 R 8.64 5.04 0.00 1.28 1.67 0.00 3.26 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 7 T 8.92 4.89 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 1.24 0.00 0.00 8 Y 8.95 5.38 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 9 R 9.12 4.91 0.00 1.87 1.81 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 L 8.81 4.90 0.00 1.51 1.74 0.63 0.74 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 11 K 8.82 4.47 0.00 1.78 1.69 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 12 N 8.80 4.48 0.00 2.71 2.77 0.00 0.00 7.28 7.98 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 13 G 9.36 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 14 A 8.17 4.39 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 15 I 7.79 3.68 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.83 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.08 0.00 3.72 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 2.12 2.13 0.00 17 A 7.97 3.98 1.35 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 0.00 0.00 18 Y 8.36 3.93 0.00 3.13 3.25 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 19 L 8.60 4.05 0.00 1.64 1.63 0.33 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.05 3.90 0.00 1.94 1.91 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.42 7.81 21 V 7.72 3.65 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 0.93 0.00 0.00 1.04 0.00 0.00 22 V 7.74 3.52 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 0.74 0.00 0.00 0.47 0.00 0.00 23 E 7.78 3.81 0.00 1.94 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 2.28 2.29 0.00 24 D 8.18 4.53 0.00 2.72 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 25 E 8.59 4.61 0.00 2.05 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 2.25 2.25 0.00 26 G 7.34 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 0.00 0.00 0.00 27 I 7.94 3.77 1.78 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.88 0.00 0.00 28 E 8.04 3.98 0.00 1.99 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 0.00 2.37 2.32 0.00 29 I 7.68 3.69 2.13 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 1.57 0.86 1.05 0.00 0.00 30 Q 8.25 3.35 0.00 1.85 2.35 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 1.80 1.68 0.00 31 K 8.66 4.36 0.00 2.04 1.95 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.92 7.81 32 S 8.06 4.21 0.00 3.95 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 33 H 7.14 4.57 0.00 3.15 3.19 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.88 4.25 0.00 1.15 1.47 -0.40 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.54 0.00 1.78 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 2.26 2.22 0.00 37 L 8.24 3.36 0.00 0.58 1.19 -0.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.51 3.84 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 0.85 0.00 0.00 0.98 0.00 0.00 39 G 6.94 3.74 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 0.00 0.00 0.00 40 Y 7.61 4.62 0.00 2.71 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 41 F 9.33 5.48 0.00 2.94 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 42 F 8.37 5.70 0.00 3.10 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 43 S 8.84 4.25 0.00 3.98 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 44 E 8.72 4.56 0.00 1.74 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 2.13 2.34 0.00 45 I 8.05 4.52 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.90 0.00 0.00 46 G 8.79 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.16 2.03 0.00 3.67 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 2.03 2.11 0.00 48 I 8.18 4.25 1.89 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 1.44 0.70 0.95 0.00 0.00 49 N 8.72 4.31 0.00 2.95 3.05 0.00 0.00 6.44 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 50 E 8.18 5.27 0.00 2.08 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 2.23 2.44 0.00 51 I 8.64 5.10 1.81 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.18 0.95 0.00 0.00 52 V 9.12 4.88 2.25 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 1.09 0.00 0.00 0.95 0.00 0.00 53 H 8.75 5.03 0.00 2.65 1.62 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.52 5.18 1.84 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 1.28 1.00 1.10 0.00 0.00 55 W 9.22 5.03 0.00 3.29 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 56 A 8.17 4.71 0.73 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 57 F 9.02 4.92 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 58 S 9.18 4.35 0.00 4.05 4.05 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 59 S 7.72 4.97 0.00 4.06 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 60 L 7.82 3.73 0.00 1.33 1.42 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.83 4.32 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.30 0.00 2.79 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 63 R 7.66 3.08 0.00 0.83 1.60 0.00 2.52 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 64 A 7.69 3.80 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 65 E 8.11 3.80 0.00 2.28 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 2.27 2.32 0.00 66 R 8.23 3.91 0.00 2.07 2.09 0.00 3.52 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 67 R 8.04 3.83 0.00 1.64 1.86 0.00 2.94 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 68 A 7.58 4.10 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 69 R 7.80 4.05 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 70 L 7.34 3.58 0.00 1.28 1.46 -0.25 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.00 4.25 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 73 D 7.70 4.44 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.34 2.33 0.00 3.80 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 2.12 2.09 0.00 75 R 8.73 4.09 0.00 2.11 2.11 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 76 W 8.38 4.50 0.00 3.40 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 77 L 8.04 3.94 0.00 1.84 1.72 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.80 4.28 0.00 4.07 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 79 F 7.83 4.29 0.00 3.01 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 80 L 7.42 3.11 0.00 1.37 1.39 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.15 0.00 1.87 2.00 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 82 K 7.77 4.09 0.00 1.18 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.35 1.31 7.81 83 I 7.30 4.51 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.49 0.59 0.00 0.00 84 R 7.91 3.75 0.00 1.77 1.87 0.00 3.14 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 85 D 7.81 4.76 0.00 2.65 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 86 L 7.73 4.26 0.00 2.01 1.83 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.55 4.48 1.74 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 1.33 0.69 0.64 0.00 0.00 88 E 9.35 4.40 0.00 2.00 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 0.00 2.26 2.31 0.00 89 V 7.64 4.62 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 1.08 0.00 0.00 0.95 0.00 0.00 90 A 8.51 5.65 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 91 E 8.54 4.99 0.00 2.05 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 2.25 2.27 0.00 92 N 8.81 5.78 0.00 2.75 2.86 0.00 0.00 5.84 7.13 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 93 K 9.06 4.78 0.00 1.85 1.93 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 94 I 8.18 5.39 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 1.40 1.96 1.15 0.00 0.00 *96 K 8.37 4.16 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.49 7.81 97 P 0.00 4.21 0.00 2.13 1.87 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 98 A 7.83 3.94 0.18 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 99 R 8.17 3.79 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 100 F 6.98 4.80 0.00 3.09 3.12 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 0.00 101 S 7.54 4.45 0.00 3.60 3.78 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 0.00 102 P 0.00 4.39 0.00 2.07 2.10 0.00 3.66 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 2.11 0.00 103 L 7.68 4.24 0.00 1.29 1.39 0.80 0.87 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 * Residues marked with a * may have inaccurate shift predictions.