NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7095 8.2833 119.2093 52.7590 40.1980 174.4884 18 P 4.1403 0.0000 0.0000 65.6792 31.3339 176.8501 19 N 4.4185 8.3657 115.0549 56.2654 38.9684 176.5835 20 E 3.9191 8.2509 119.9969 59.1881 29.6839 178.5136 21 A 3.8111 8.1125 120.6757 55.2819 18.2979 178.6263 22 Y 4.3776 8.1034 116.8060 61.4097 38.9061 178.5106 23 R 3.8907 7.8556 117.1691 59.2757 30.3529 178.3482 24 H 4.2353 8.0340 117.9860 59.3750 29.8900 178.4467 25 Y 4.4845 7.6386 116.4415 58.3552 37.4577 178.3703 *27 K 3.8938 8.0038 120.9908 56.3707 34.4494 177.9449 28 K 3.9991 8.1394 119.3643 59.9283 31.7696 178.7370 29 L 4.1083 7.7883 117.4415 57.2999 41.5478 178.9597 30 S 4.2797 7.8553 112.9116 59.8679 63.6961 174.5201 31 Y 4.6654 7.7907 120.3743 58.6789 38.7123 174.8258 32 E 5.4012 8.0149 115.3409 54.7269 33.0059 175.0599 33 T 4.8902 8.7387 114.1501 60.5554 71.9150 172.1678 34 D 5.1231 8.4109 124.4459 51.5569 42.6885 177.1760 35 I 3.8853 8.5983 118.3254 64.6694 36.8893 178.0628 36 A 3.9523 8.0792 120.8985 55.4934 18.2954 178.9854 37 D 4.3381 8.1159 116.1710 57.5369 41.0271 179.1824 38 L 4.0315 7.9615 120.2956 58.0901 42.1416 178.7614 39 S 4.4070 8.7060 113.5661 61.7197 62.2721 176.2078 40 I 3.7479 8.0703 122.5397 64.4505 36.8428 178.0406 41 D 4.4430 8.0717 119.3482 57.6245 40.5235 178.9716 42 I 3.7582 7.6131 118.6334 64.1926 37.1905 178.0583 43 K 4.0967 7.9694 119.1243 59.6534 32.1538 178.4489 44 K 4.1411 7.9655 117.4334 59.4449 32.0983 178.0426 45 G 4.0356 7.9467 103.9141 45.0639 0.0000 172.3590 46 Y 4.2743 8.1012 120.4530 58.2833 38.3807 175.4081 47 E 4.2601 8.4902 128.8680 57.2089 30.1555 177.4810 48 G 3.5486 6.3416 104.4379 45.5591 0.0000 173.5932 49 I 5.1088 7.3087 112.7380 58.9916 41.2314 175.5527 50 I 4.3584 8.4676 123.4384 59.3204 40.2066 174.6902 51 V 4.1814 8.2523 128.2405 62.5833 32.5807 174.5967 52 V 4.6707 8.7703 128.7885 61.0562 34.2809 173.6544 53 D 3.6563 8.8547 128.2400 52.8594 41.9694 176.8481 54 V 4.0659 7.6550 125.7656 63.7068 32.7072 176.2974 55 R 4.3329 7.5995 118.9450 55.8740 30.7275 176.4062 56 D 4.5618 8.5010 118.2206 54.1358 42.7137 177.4221 57 A 3.9840 8.5814 123.4748 55.5675 18.4142 179.8923 58 E 3.9182 8.2228 116.8999 59.3770 29.6997 178.6639 59 A 4.1648 8.1231 120.3855 55.5113 18.2967 178.8481 60 Y 3.9026 7.8846 117.0215 60.5762 38.9073 177.7481 61 K 4.2085 8.0524 119.9155 59.1510 32.3605 178.4376 62 E 4.1309 8.1672 118.6529 57.7148 29.7758 176.9601 63 C 4.7603 6.8866 111.5035 58.4229 32.3867 172.2808 64 H 4.5860 7.8231 115.4370 54.4353 30.8628 173.3223 65 I 3.2894 8.0744 121.3028 60.1736 37.1939 174.4481 66 P 4.3136 0.0000 0.0000 64.5832 31.5231 176.4202 67 T 3.3618 8.6815 110.3552 62.0720 67.3498 171.3135 68 A 4.7829 7.7103 123.0919 51.6280 20.0235 177.5684 69 I 4.3254 8.7612 114.6022 59.4916 40.7699 174.3245 70 S 4.3280 7.7411 117.8302 56.8691 63.1249 174.3661 71 I 4.4143 8.3147 128.2121 58.8407 39.6815 171.5241 72 P 4.3670 0.0000 0.0000 62.9347 31.7189 175.9174 73 G 3.9549 9.0510 114.2262 49.1911 0.0000 175.7225 74 N 4.7622 7.8891 115.6004 52.4049 37.1132 175.2113 75 K 4.4302 7.9312 115.9667 56.5850 33.7411 175.5747 76 I 3.8705 7.5682 119.0783 60.8052 37.3386 174.6371 77 N 4.7319 7.7691 122.2964 52.2193 40.0314 174.6385 78 E 4.2340 8.5549 115.4421 58.6402 29.8741 178.9946 79 D 4.4252 8.0575 118.0675 56.8836 41.0700 177.1417 80 T 4.3220 7.7789 113.1134 63.9181 69.1090 175.0526 81 T 4.6043 7.4377 111.3029 60.9369 69.2994 176.1330 82 K 4.0711 7.7500 122.5335 60.1621 32.6869 178.2839 83 R 4.2193 7.9098 115.8369 56.7437 30.5484 176.1176 84 L 4.3953 7.3456 119.3839 53.5395 42.7839 176.3704 85 S 4.3253 8.5911 118.2347 58.0032 62.6864 174.4188 86 K 4.1481 8.5849 125.7789 57.3412 31.7403 177.5132 87 E 4.1977 7.9884 119.2146 57.4768 29.8762 176.5394 88 K 4.6644 7.6099 117.6606 54.8280 34.7849 175.9650 89 V 4.3867 8.1702 121.8533 61.6819 33.0525 175.1623 90 I 4.1886 8.3662 129.4779 61.1528 38.5928 175.2968 91 I 5.4916 8.7100 126.5662 58.8282 39.9199 175.0366 92 T 4.9384 8.5485 117.6696 60.4853 71.3573 173.2709 93 Y 4.9374 7.7510 118.2367 56.5116 41.0804 173.8389 94 C 5.0466 8.5249 123.3434 55.9768 46.4897 173.6021 95 W 4.1490 9.2387 114.2867 59.2565 29.5014 176.8867 96 G 4.4622 7.6494 106.5079 44.7700 0.0000 171.3500 97 P 4.1320 0.0000 0.0000 65.2641 31.3671 177.1571 98 A 4.2684 7.9356 118.4144 52.7402 18.9266 177.3211 99 C 4.9091 7.9291 115.9066 55.2736 42.1477 173.5341 100 N 4.6806 8.4648 119.8612 53.4860 39.4289 177.5292 101 G 3.9532 8.0725 107.4077 47.8759 0.0000 175.1381 102 A 4.0151 8.0852 123.3307 54.9944 18.1909 179.7051 103 T 3.8064 7.7726 111.9442 66.7003 68.9489 176.5228 104 K 4.0305 8.5125 120.4016 59.5939 32.1686 178.9925 105 A 3.9143 8.4699 120.9128 55.3733 18.2022 179.3466 106 A 4.1234 8.4374 119.1050 55.3997 18.2842 179.7806 107 A 3.9483 7.9688 119.1249 55.3863 18.4447 180.0648 108 K 3.8609 7.8990 116.5051 59.4498 32.0731 179.5832 109 F 4.1478 8.3600 117.9539 60.5594 39.0215 177.6366 110 A 4.4702 8.4405 121.9831 54.7661 17.9223 179.4572 111 Q 4.0690 8.2723 117.4608 58.6158 29.1383 177.2130 112 L 4.6107 7.5767 117.9956 54.2391 41.7932 177.0972 113 G 3.8383 7.8711 106.4240 45.9667 0.0000 173.7283 114 F 4.5621 8.3435 117.9925 55.8179 41.5447 175.6135 115 R 4.7116 8.4536 122.9995 55.4848 28.3755 175.7395 116 V 4.4359 7.8357 121.8867 61.0314 33.8267 176.5141 117 K 4.7266 8.5859 122.3188 55.5637 35.9363 174.5108 118 E 4.7131 8.9359 126.0174 55.8181 31.8925 175.6952 119 L 4.7541 8.8536 125.5229 53.5717 42.9328 175.4399 120 I 3.6415 8.0168 121.9017 61.7678 37.6522 175.0581 121 G 3.1442 9.9800 117.7698 44.7638 0.0000 175.0131 122 G 3.9769 7.7601 107.6385 44.9541 0.0000 173.4155 123 I 3.6774 8.0787 118.4673 64.4529 36.6659 177.6742 124 E 4.0811 8.6694 120.4106 59.9824 29.6314 178.7693 125 Y 4.3974 8.1520 116.0183 60.6662 38.0171 177.8912 126 W 4.1446 8.4064 129.4230 60.5083 30.6022 177.9570 127 R 3.9813 8.4257 117.0004 59.6131 29.6933 178.7987 128 K 3.9836 7.5173 115.0190 59.5166 31.9969 178.1998 129 E 4.1161 7.3453 116.5674 59.0344 30.3603 177.3793 130 N 4.8212 7.7400 120.1166 51.9144 40.3925 174.5684 131 G 4.2738 8.2071 108.3957 44.7215 0.0000 172.5133 132 L 4.3493 8.5698 119.4381 54.7489 41.8425 176.8731 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 17 N 8.28 4.71 0.00 2.79 2.79 0.00 0.00 7.03 6.82 0.00 0.00 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 P 0.00 4.14 0.00 2.29 2.15 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 19 N 8.37 4.42 0.00 2.85 2.92 0.00 0.00 6.70 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 20 E 8.25 3.92 0.00 2.05 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 0.00 2.35 2.38 0.00 21 A 8.11 3.81 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.10 4.38 0.00 3.06 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 23 R 7.86 3.89 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 24 H 8.03 4.24 0.00 3.16 3.10 0.00 5.78 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 25 Y 7.64 4.48 0.00 3.04 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 *27 K 8.00 3.89 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 28 K 8.14 4.00 0.00 1.84 2.02 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 29 L 7.79 4.11 0.00 1.63 1.70 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.86 4.28 0.00 3.78 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 31 Y 7.79 4.67 0.00 3.20 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 32 E 8.01 5.40 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 2.52 2.33 0.00 33 T 8.74 4.89 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 1.33 0.00 0.00 34 D 8.41 5.12 0.00 2.81 2.84 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 0.00 35 I 8.60 3.89 1.90 0.00 0.00 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 1.75 0.98 0.83 0.00 0.00 36 A 8.08 3.95 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 37 D 8.12 4.34 0.00 2.89 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 38 L 7.96 4.03 0.00 1.94 2.06 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.71 4.41 0.00 3.98 4.08 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 40 I 8.07 3.75 2.03 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 1.81 0.70 0.92 0.00 0.00 41 D 8.07 4.44 0.00 2.99 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 42 I 7.61 3.76 2.01 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 1.43 0.73 0.97 0.00 0.00 43 K 7.97 4.10 0.00 2.05 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 44 K 7.97 4.14 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.75 7.81 45 G 7.95 4.04 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 0.00 0.00 0.00 46 Y 8.10 4.27 0.00 2.85 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 47 E 8.49 4.26 0.00 1.87 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 2.24 2.50 0.00 48 G 6.34 3.55 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 0.00 0.00 0.00 49 I 7.31 5.11 1.88 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 1.34 0.76 1.08 0.00 0.00 50 I 8.47 4.36 1.74 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 1.05 0.64 0.81 0.00 0.00 51 V 8.25 4.18 2.07 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 0.97 0.00 0.00 0.88 0.00 0.00 52 V 8.77 4.67 1.91 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 0.85 0.00 0.00 0.74 0.00 0.00 53 D 8.85 3.66 0.00 2.64 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 0.00 0.00 0.00 0.00 54 V 7.65 4.07 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 0.98 0.00 0.00 0.86 0.00 0.00 55 R 7.60 4.33 0.00 1.67 1.61 0.00 2.60 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 56 D 8.50 4.56 0.00 2.81 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 57 A 8.58 3.98 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 58 E 8.22 3.92 0.00 2.15 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 2.43 2.69 0.00 59 A 8.12 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 3.90 0.00 2.91 3.10 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 61 K 8.05 4.21 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.17 4.13 0.00 2.24 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 2.39 2.51 0.00 63 C 6.89 4.76 0.00 2.94 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 64 H 7.82 4.59 0.00 3.13 2.84 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.07 3.29 1.26 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.02 -0.55 0.00 0.00 66 P 0.00 4.31 0.00 2.08 2.05 0.00 3.58 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 2.23 2.14 0.00 67 T 8.68 3.36 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 1.23 0.00 0.00 68 A 7.71 4.78 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 69 I 8.76 4.33 1.75 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 1.23 0.86 0.87 0.00 0.00 70 S 7.74 4.33 0.00 2.72 2.96 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 71 I 8.31 4.41 1.83 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 1.13 0.80 0.81 0.00 0.00 72 P 0.00 4.37 0.00 1.86 1.97 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 73 G 9.05 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 0.00 0.00 0.00 74 N 7.89 4.76 0.00 2.79 2.89 0.00 0.00 5.69 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 75 K 7.93 4.43 0.00 1.62 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.57 3.87 1.54 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 -0.01 0.00 0.00 77 N 7.77 4.73 0.00 2.60 2.84 0.00 0.00 6.56 7.54 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 78 E 8.55 4.23 0.00 2.06 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 2.45 2.30 0.00 79 D 8.06 4.43 0.00 2.64 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 80 T 7.78 4.32 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 1.14 0.00 0.00 81 T 7.44 4.60 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 1.07 0.00 0.00 82 K 7.75 4.07 0.00 2.05 2.19 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.91 4.22 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 84 L 7.35 4.40 0.00 1.91 1.69 0.82 0.78 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 85 S 8.59 4.33 0.00 3.87 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 86 K 8.58 4.15 0.00 1.59 1.57 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 87 E 7.99 4.20 0.00 1.97 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 2.30 2.41 0.00 88 K 7.61 4.66 0.00 1.77 1.78 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.33 7.81 89 V 8.17 4.39 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 1.11 0.00 0.00 0.98 0.00 0.00 90 I 8.37 4.19 1.44 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 0.12 -0.03 -0.14 0.00 0.00 91 I 8.71 5.49 1.85 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 0.91 1.23 0.98 0.00 0.00 92 T 8.55 4.94 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 1.22 0.00 0.00 93 Y 7.75 4.94 0.00 2.96 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 94 C 8.52 5.05 0.00 3.07 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 95 W 9.24 4.15 0.00 3.39 3.27 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 96 G 7.65 4.46 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 0.00 97 P 0.00 4.13 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.42 0.00 98 A 7.94 4.27 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 99 C 7.93 4.91 0.00 3.10 3.24 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 0.00 100 N 8.46 4.68 0.00 2.80 2.82 0.00 0.00 6.73 7.61 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 0.00 101 G 8.07 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 0.00 0.00 0.00 102 A 8.09 4.02 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 0.00 103 T 7.77 3.81 4.37 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 1.20 0.00 0.00 104 K 8.51 4.03 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.59 7.81 105 A 8.47 3.91 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 0.00 106 A 8.44 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.95 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.90 3.86 0.00 1.68 1.65 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 109 F 8.36 4.15 0.00 3.25 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 0.00 110 A 8.44 4.47 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.27 4.07 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.58 4.61 0.00 2.18 2.03 0.84 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.87 3.84 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 0.00 0.00 0.00 0.00 114 F 8.34 4.56 0.00 3.40 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 0.00 115 R 8.45 4.71 0.00 1.98 1.87 0.00 3.25 0.00 0.00 3.41 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 116 V 7.84 4.44 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 0.91 0.00 0.00 0.91 0.00 0.00 117 K 8.59 4.73 0.00 1.87 1.67 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.59 7.81 118 E 8.94 4.71 0.00 2.16 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 0.00 2.46 2.31 0.00 119 L 8.85 4.75 0.00 1.84 1.84 1.07 1.00 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 0.00 120 I 8.02 3.64 1.93 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 1.48 0.82 0.96 0.00 0.00 121 G 9.98 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 0.00 0.00 0.00 122 G 7.76 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 0.00 123 I 8.08 3.68 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 1.04 0.00 0.00 124 E 8.67 4.08 0.00 2.30 2.24 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 2.57 2.53 0.00 125 Y 8.15 4.40 0.00 3.11 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 0.00 126 W 8.41 4.14 0.00 3.43 3.20 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 0.00 127 R 8.43 3.98 0.00 2.03 2.06 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 128 K 7.52 3.98 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 E 7.35 4.12 0.00 1.55 1.68 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 2.41 2.31 0.00 130 N 7.74 4.82 0.00 1.46 2.27 0.00 0.00 6.90 7.27 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 0.00 131 G 8.21 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 0.00 0.00 0.00 0.00 132 L 8.57 4.35 0.00 1.68 1.58 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.