NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3603 8.1076 123.5824 51.9776 20.2376 177.8575 2 T 3.7760 8.3468 111.5156 62.7500 68.9529 174.9468 3 S 4.2040 7.9825 116.0120 60.4893 64.0172 175.9034 4 T 4.4243 7.6803 109.7190 61.4547 68.7163 175.2051 5 K 4.3422 7.7027 120.6644 56.7310 32.8136 177.2737 6 K 4.0481 7.7631 118.5994 56.3735 32.4838 176.5205 7 L 4.5370 8.0039 122.0461 53.8322 43.5498 175.5274 8 H 4.9207 8.1601 115.2491 54.2414 32.4582 173.5352 9 K 4.4297 8.5668 122.7065 55.5473 33.1472 176.0083 10 E 4.8238 8.3001 121.2447 53.4346 33.1909 174.0101 11 P 4.4411 0.0000 0.0000 63.0005 32.1177 175.2786 12 A 4.6839 8.0077 121.4195 51.4141 22.1515 174.9806 13 T 4.7505 7.9010 108.4098 59.5788 72.0798 173.7642 14 L 4.1959 8.2037 121.3945 54.4587 42.2165 177.5447 15 I 3.8593 8.0085 121.9845 60.6803 37.7198 176.2258 16 K 3.7830 8.6259 124.6197 56.8018 32.3919 176.3929 17 A 4.2348 8.3963 128.8118 51.6033 19.1123 177.2365 18 I 3.9830 8.0002 114.1853 60.1720 38.7798 175.6987 19 D 4.6019 8.0885 120.4051 53.9265 41.0956 178.5100 20 G 3.7552 8.7376 111.0522 47.9868 0.0000 173.8298 21 D 4.8816 8.1236 119.2397 53.1539 39.7423 175.4252 22 T 5.3101 7.8918 108.9375 60.5687 72.1786 173.6371 23 V 4.5763 8.7955 122.0343 60.4205 35.1540 173.6112 24 K 5.0278 8.7460 123.8538 55.7475 33.2530 175.9970 25 L 4.8301 8.9766 123.2549 53.6045 46.9690 174.4103 26 M 4.9557 8.6790 121.2019 54.7747 33.4331 174.7687 27 Y 4.7129 9.1523 127.2075 56.8069 41.7876 175.2813 28 K 3.7564 9.5267 128.5125 57.4768 29.5008 175.7482 29 G 3.9331 8.1556 103.7123 45.3596 0.0000 172.3977 30 Q 4.7682 7.9686 119.6637 52.9888 31.6004 173.3198 31 P 5.0381 0.0000 0.0000 63.2150 32.3222 175.4136 32 M 4.7473 9.4405 119.7141 54.7225 35.4411 173.1972 33 T 4.8186 8.2388 115.8354 62.2441 70.6730 173.7936 34 F 4.9602 9.3818 125.8862 55.9359 41.4037 174.6842 35 R 4.8694 9.1913 124.3037 54.6071 31.7987 175.1834 36 L 4.3981 8.6710 127.6185 54.3651 41.7991 177.2162 37 L 3.9219 8.5405 124.5035 55.7414 42.9226 177.8779 38 L 4.6399 8.8566 119.3547 55.1711 39.2911 174.0528 39 V 5.1601 7.3945 110.3153 59.8962 36.2566 174.6877 40 D 5.0245 9.0839 121.6408 53.2703 44.2221 174.5428 41 T 4.8580 8.9923 116.8317 59.9591 70.3889 173.2044 42 P 4.5180 0.0000 0.0000 62.3097 32.2389 176.1562 43 E 4.3617 9.1989 120.4131 56.6270 30.0269 178.1976 *50 F 4.7086 8.4089 115.0279 56.6881 39.5775 175.5806 51 N 4.1604 6.9528 115.2651 51.9166 37.5162 174.0870 52 E 4.5286 7.6139 118.8154 54.0131 32.0095 175.3389 53 K 3.6650 8.1658 121.7640 58.4410 32.4840 176.8459 54 Y 4.2261 7.5426 120.7624 59.2022 36.3355 171.5204 55 G 3.5941 8.0738 107.6005 47.5685 0.0000 174.3339 56 P 4.3847 0.0000 0.0000 64.9389 31.3829 178.6358 57 E 4.0154 8.2287 116.9986 59.3103 29.4507 179.0206 58 A 4.0358 8.4353 121.1763 55.2179 17.9068 179.8745 59 S 4.1620 8.3255 113.4368 61.7520 62.8885 176.6992 60 A 4.0711 8.3366 123.6733 55.0862 18.0792 179.4306 61 F 4.0457 8.5373 119.1015 61.9563 39.5518 177.5421 62 T 3.9315 8.2116 115.3903 66.4432 68.1856 176.6112 63 K 3.9291 8.1958 121.6470 59.2537 32.2240 178.7494 64 K 3.8552 8.1970 120.0166 59.8086 31.8995 178.6387 65 M 3.8833 7.6322 117.6150 58.3523 32.1995 178.4986 66 R 4.0141 8.0837 118.8268 59.5159 30.0788 178.4688 67 E 4.1079 8.4406 117.7555 58.9569 29.5450 178.2852 68 N 4.5878 7.9463 114.4170 53.0606 39.3005 175.5393 69 A 4.3118 6.9771 123.2893 51.8459 19.0015 177.8090 70 K 4.1955 9.2161 123.3242 58.7655 33.3952 177.7958 71 K 4.6951 9.4227 118.9738 54.8274 35.7707 175.4732 72 I 5.0480 8.4953 123.8658 59.6464 39.6665 174.7199 73 E 4.8336 9.1631 124.7139 54.5367 33.7877 174.7156 74 V 4.4824 8.3125 121.4337 61.0218 34.2042 174.6247 75 E 4.5954 8.8380 127.3872 54.4578 32.2841 174.8808 76 F 4.6485 8.9002 125.7041 57.5162 40.2509 175.5062 77 D 4.9754 8.4453 120.1835 53.3373 43.2009 175.8392 78 K 4.3535 8.8542 117.5107 57.8653 33.2750 178.6255 79 G 4.1877 7.6326 109.4717 44.9529 0.0000 174.6267 80 Q 4.0877 8.6264 124.0570 56.1687 29.2241 176.4235 81 R 4.4528 8.4775 119.8676 56.9960 30.8808 176.0840 82 T 5.0559 7.3588 106.8747 59.8849 72.0215 173.0318 83 D 4.7001 8.6195 123.3415 51.6123 41.5560 176.9494 84 K 3.9917 8.2113 116.6137 58.5667 32.6248 176.8372 85 Y 4.2241 8.2661 117.1553 57.6660 38.0961 176.5150 86 G 3.9055 8.2099 108.3108 45.4320 0.0000 174.1144 87 R 4.3099 7.8723 118.6496 55.2164 31.8648 176.2525 88 G 3.7977 8.6730 109.9973 46.2432 0.0000 172.5035 89 L 5.3550 9.0114 123.2252 52.1538 43.4383 175.7337 90 A 4.4573 8.1859 124.0930 50.7926 23.2043 173.9656 91 Y 4.7390 8.6173 117.6058 57.4095 39.7091 175.0012 92 I 4.7403 8.6303 124.5781 59.6625 40.1561 174.1979 93 Y 5.0712 9.3087 123.8896 56.0149 41.5589 174.5966 94 A 4.8776 9.1377 124.6860 50.3506 21.6274 176.4094 95 D 4.3768 9.9564 125.9326 55.8015 38.8703 175.3612 96 G 3.9305 8.1690 105.3555 45.2376 0.0000 172.4906 97 K 4.4338 7.9250 122.1811 54.7863 33.4549 174.9475 98 M 3.9117 8.4796 126.1276 54.8416 33.2179 176.6514 99 V 3.6063 8.6249 127.0947 66.1877 31.7273 177.6208 100 N 4.3283 8.0542 115.6718 56.5052 38.4706 176.8162 101 E 3.9221 8.0928 119.7511 59.1326 29.8250 178.4314 102 A 4.0851 8.1268 120.8375 55.1399 18.4573 179.5008 103 L 3.4759 8.0439 117.4272 57.9321 41.7625 180.0479 104 V 3.8562 7.5146 119.0868 65.5426 31.2738 177.9882 105 R 4.1174 8.3849 117.6768 59.1335 29.9508 177.5011 106 Q 4.3438 7.8579 115.2335 54.8523 29.0993 175.8549 107 G 3.8632 7.9936 108.6533 46.7798 0.0000 175.0231 108 L 4.4530 7.7508 118.2519 54.2890 42.3363 176.4917 109 A 4.8041 7.5485 119.7767 50.4643 22.9551 175.3331 110 K 4.7116 8.5705 118.9955 54.6114 35.1868 176.1065 111 V 4.3098 9.1664 123.0028 63.1958 32.3154 175.0369 112 A 4.2414 9.1654 127.8703 50.8764 23.3050 174.9177 113 Y 3.6224 7.4477 113.7742 59.1097 35.1271 172.9002 114 V 3.8911 7.2311 118.3344 62.3346 31.8753 174.1902 115 Y 4.8667 8.0841 124.7134 55.3582 40.8637 175.5033 116 K 4.1938 8.6299 123.7033 58.0504 32.7738 177.0198 117 G 4.1519 9.3010 114.0853 45.3971 0.0000 172.9720 118 N 5.3764 7.8945 116.1682 52.8838 39.2755 174.0613 119 N 5.2461 7.8858 109.8965 52.7488 38.7714 176.7585 120 T 3.8429 8.7036 118.2912 67.9223 68.7930 174.9975 121 H 4.8505 8.0059 116.1173 55.7726 29.1603 176.7122 122 E 3.9797 8.3430 122.4566 59.8320 29.3169 178.9048 123 Q 3.9696 8.0544 117.4391 58.6358 28.9150 178.2019 124 L 3.9221 7.9631 120.9518 58.4637 42.0216 179.0872 125 L 4.0720 8.0771 118.6291 57.7101 41.4689 179.6867 126 R 3.8903 8.3403 118.5230 59.0095 30.0715 178.8675 127 K 3.8369 8.3689 119.5022 59.5275 32.1748 178.7297 128 A 3.9931 7.8492 120.7104 54.9857 18.1899 179.2489 129 E 3.8877 8.5088 117.9297 59.4024 29.6762 178.8397 130 A 3.7265 8.0476 120.9122 55.1318 18.3756 179.4628 131 Q 3.8046 7.9967 117.6116 59.0686 29.1041 177.9896 132 A 4.0315 8.0431 121.8669 55.1733 18.3688 179.7996 133 K 3.5232 7.8488 117.0797 59.3508 31.8311 179.3513 134 K 3.7959 7.8806 118.8179 59.4188 32.1375 177.6567 135 E 4.2767 8.0772 115.4006 55.1800 30.4446 176.2278 136 K 4.1426 7.9918 117.9292 56.0470 30.5926 174.8353 137 L 4.6100 8.2191 117.9463 55.1877 44.5749 177.7345 138 N 3.4233 9.1754 120.0515 53.9240 37.7862 176.6659 139 I 3.2261 5.4200 127.3799 64.4385 37.2547 176.6326 140 W 4.9002 7.9252 118.5965 56.3805 29.4263 176.5743 141 S 5.0333 7.9641 118.9487 58.0721 62.5115 173.9700 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 1 A 8.11 4.36 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 2 T 8.35 3.78 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 3 S 7.98 4.20 0.00 4.00 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 4 T 7.68 4.42 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 5 K 7.70 4.34 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.53 7.81 6 K 7.76 4.05 0.00 1.66 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 7 L 8.00 4.54 0.00 1.59 1.60 0.91 1.04 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 8 H 8.16 4.92 0.00 3.07 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.57 4.43 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 10 E 8.30 4.82 0.00 1.91 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 2.20 2.26 0.00 11 P 0.00 4.44 0.00 2.16 2.05 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 12 A 8.01 4.68 1.22 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 0.00 0.00 13 T 7.90 4.75 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 14 L 8.20 4.20 0.00 1.67 1.65 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.01 3.86 1.87 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 1.29 0.46 0.90 0.00 0.00 16 K 8.63 3.78 0.00 1.69 1.70 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.49 7.81 17 A 8.40 4.23 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 18 I 8.00 3.98 1.87 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 1.43 0.66 0.90 0.00 0.00 19 D 8.09 4.60 0.00 2.82 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 20 G 8.74 3.76 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 0.00 0.00 0.00 21 D 8.12 4.88 0.00 2.96 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 22 T 7.89 5.31 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 1.21 0.00 0.00 23 V 8.80 4.58 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 0.82 0.00 0.00 0.96 0.00 0.00 24 K 8.75 5.03 0.00 1.70 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 25 L 8.98 4.83 0.00 1.90 1.64 0.72 0.49 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 26 M 8.68 4.96 0.00 2.07 2.03 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 2.59 2.62 0.00 27 Y 9.15 4.71 0.00 3.29 3.06 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 28 K 9.53 3.76 0.00 1.29 1.55 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 0.41 7.81 29 G 8.16 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 30 Q 7.97 4.77 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 31 P 0.00 5.04 0.00 2.09 2.09 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 32 M 9.44 4.75 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.75 0.00 33 T 8.24 4.82 4.19 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 0.00 0.00 1.21 0.00 0.00 34 F 9.38 4.96 0.00 3.11 2.90 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 35 R 9.19 4.87 0.00 1.89 1.80 0.00 3.39 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 36 L 8.67 4.40 0.00 1.67 1.62 0.99 1.20 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 37 L 8.54 3.92 0.00 0.80 1.29 0.25 0.33 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 38 L 8.86 4.64 0.00 2.05 1.88 1.16 1.21 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 39 V 7.39 5.16 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 0.81 0.00 0.00 0.99 0.00 0.00 40 D 9.08 5.02 0.00 2.89 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.99 4.86 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 1.28 0.00 0.00 42 P 0.00 4.52 0.00 2.15 2.02 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 43 E 9.20 4.36 0.00 2.03 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 0.00 2.38 2.46 0.00 *50 F 8.41 4.71 0.00 3.19 3.15 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 51 N 6.95 4.16 0.00 2.26 1.42 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 52 E 7.61 4.53 0.00 2.09 1.78 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 2.14 2.09 0.00 53 K 8.17 3.66 0.00 1.49 1.50 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.90 7.81 54 Y 7.54 4.23 0.00 3.21 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 55 G 8.07 3.59 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 0.00 0.00 0.00 56 P 0.00 4.38 0.00 2.18 2.13 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 57 E 8.23 4.02 0.00 2.20 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 0.00 2.52 2.51 0.00 58 A 8.44 4.04 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 59 S 8.33 4.16 0.00 4.09 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 0.00 60 A 8.34 4.07 1.42 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 0.00 0.00 0.00 61 F 8.54 4.05 0.00 3.28 3.23 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 62 T 8.21 3.93 4.33 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 1.29 0.00 0.00 63 K 8.20 3.93 0.00 1.86 2.04 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 64 K 8.20 3.86 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.40 7.81 65 M 7.63 3.88 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 66 R 8.08 4.01 0.00 1.87 2.17 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 67 E 8.44 4.11 0.00 2.00 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 2.48 2.49 0.00 68 N 7.95 4.59 0.00 2.74 2.83 0.00 0.00 6.98 7.39 0.00 0.00 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 A 6.98 4.31 1.31 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 70 K 9.22 4.20 0.00 1.88 1.95 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 K 9.42 4.70 0.00 1.76 1.90 0.00 1.26 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.40 7.81 72 I 8.50 5.05 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 1.35 0.93 0.92 0.00 0.00 73 E 9.16 4.83 0.00 1.90 1.77 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 2.22 2.22 0.00 74 V 8.31 4.48 1.77 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 -0.27 0.00 0.00 0.00 0.00 0.00 75 E 8.84 4.60 0.00 2.18 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 2.47 2.39 0.00 76 F 8.90 4.65 0.00 3.00 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 77 D 8.45 4.98 0.00 2.74 2.99 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 78 K 8.85 4.35 0.00 1.97 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.57 7.81 79 G 7.63 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.63 4.09 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 81 R 8.48 4.45 0.00 1.70 1.59 0.00 2.77 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 82 T 7.36 5.06 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 1.17 0.00 0.00 83 D 8.62 4.70 0.00 2.83 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 84 K 8.21 3.99 0.00 1.52 1.72 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.08 0.49 7.81 85 Y 8.27 4.22 0.00 3.11 3.03 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 86 G 8.21 3.91 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 0.00 0.00 0.00 87 R 7.87 4.31 0.00 2.08 1.82 0.00 3.11 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 88 G 8.67 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 89 L 9.01 5.35 0.00 1.58 1.61 0.91 1.04 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 90 A 8.19 4.46 0.70 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 0.00 0.00 91 Y 8.62 4.74 0.00 3.14 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 92 I 8.63 4.74 1.75 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.85 0.00 0.00 93 Y 9.31 5.07 0.00 2.79 2.85 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 0.00 0.00 0.00 94 A 9.14 4.88 1.17 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 0.00 0.00 95 D 9.96 4.38 0.00 2.71 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 96 G 8.17 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 97 K 7.92 4.43 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 98 M 8.48 3.91 0.00 1.91 1.51 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.39 0.00 99 V 8.62 3.61 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 1.04 0.00 0.00 0.93 0.00 0.00 100 N 8.05 4.33 0.00 2.91 2.95 0.00 0.00 6.72 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 0.00 101 E 8.09 3.92 0.00 1.97 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 2.38 2.37 0.00 102 A 8.13 4.09 1.64 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 0.00 0.00 103 L 8.04 3.48 0.00 1.89 1.66 1.04 0.58 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 0.00 104 V 7.51 3.86 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 1.31 0.00 0.00 1.01 0.00 0.00 105 R 8.38 4.12 0.00 1.84 2.14 0.00 3.35 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.86 4.34 0.00 1.61 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.41 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 107 G 7.99 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 0.00 108 L 7.75 4.45 0.00 1.27 1.50 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.55 4.80 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 0.00 110 K 8.57 4.71 0.00 1.72 1.80 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.49 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.30 1.13 7.81 111 V 9.17 4.31 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 0.74 0.00 0.00 0.98 0.00 0.00 112 A 9.17 4.24 0.98 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 0.00 113 Y 7.45 3.62 0.00 3.27 3.22 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 0.00 114 V 7.23 3.89 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 0.89 0.00 0.00 0.90 0.00 0.00 115 Y 8.08 4.87 0.00 3.09 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 0.00 116 K 8.63 4.19 0.00 1.79 1.80 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 9.30 4.15 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 0.00 118 N 7.89 5.38 0.00 2.82 2.84 0.00 0.00 6.73 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 0.00 119 N 7.89 5.25 0.00 2.87 3.02 0.00 0.00 6.08 7.22 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 0.00 120 T 8.70 3.84 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 1.04 0.00 0.00 121 H 8.01 4.85 0.00 2.94 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.34 3.98 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 2.33 2.39 0.00 123 Q 8.05 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.96 3.92 0.00 1.74 1.88 0.95 0.53 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 0.00 125 L 8.08 4.07 0.00 1.92 1.74 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.34 3.89 0.00 1.98 1.95 0.00 3.13 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 127 K 8.37 3.84 0.00 1.87 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 128 A 7.85 3.99 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 E 8.51 3.89 0.00 2.18 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 0.00 2.10 2.62 0.00 130 A 8.05 3.73 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 0.00 131 Q 8.00 3.80 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 132 A 8.04 4.03 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.85 3.52 0.00 1.49 1.45 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.88 3.80 0.00 1.74 1.97 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 135 E 8.08 4.28 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 2.31 2.41 0.00 136 K 7.99 4.14 0.00 1.96 1.89 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.36 7.81 137 L 8.22 4.61 0.00 1.74 1.64 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.18 3.42 0.00 2.38 1.42 0.00 0.00 7.13 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 0.00 139 I 5.42 3.23 0.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.05 -0.09 0.00 0.00 140 W 7.93 4.90 0.00 3.44 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 0.00 141 S 7.96 5.03 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.