NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8411 8.4181 114.6755 58.3255 64.7166 175.5557 2 V 3.5373 7.7926 120.9146 64.0609 30.8033 173.4553 3 V 3.5594 8.4632 119.6975 65.9489 32.0694 178.9704 4 E 4.0460 7.9142 117.8451 59.1528 29.1161 179.0647 5 L 4.0904 8.7756 121.0314 58.0889 42.2553 179.0804 6 G 3.7189 8.0482 105.6352 47.9257 0.0000 175.6940 7 K 4.0753 8.1447 120.8861 59.5325 32.0261 179.3198 8 M 4.0866 8.0211 118.7521 58.4603 31.7513 178.9752 9 I 3.6360 7.9802 120.2209 64.3200 37.1618 178.5455 10 I 3.9983 7.8034 121.9984 63.9729 36.7115 178.5883 11 Q 4.0128 8.0664 117.8035 58.8825 28.6377 178.3636 12 E 4.1473 8.1695 118.6398 59.4425 29.8733 178.7858 13 T 4.2435 8.1507 108.4319 62.0349 69.6446 175.8832 14 G 3.7452 7.6609 108.8229 45.6408 0.0000 172.6036 *16 K 4.6762 7.9433 117.3826 55.8584 33.1162 175.2094 17 S 4.6524 8.4615 117.3893 57.2261 64.3298 172.9212 18 P 4.4249 0.0000 0.0000 65.4396 31.3057 175.4027 19 F 5.1048 8.4588 118.1602 55.6578 40.2243 173.1903 20 P 4.4748 0.0000 0.0000 62.4309 31.4920 176.3015 21 S 4.2683 7.7321 116.9009 61.6865 62.9196 174.9019 22 Y 4.9257 9.0183 116.4566 57.8446 39.8795 177.5323 23 T 4.2417 8.3292 109.9744 63.8364 68.8891 175.2916 24 S 4.8667 8.0176 114.0752 57.8228 64.5207 172.8163 25 Y 4.1906 8.3373 123.5645 58.5168 39.2267 176.3046 26 G 3.7419 7.9716 117.5615 46.1228 0.0000 172.7420 27 C 4.0712 8.5687 114.8850 60.2580 29.0012 174.8861 28 F 4.9180 8.4161 116.1175 56.2510 41.0567 175.0148 29 C 4.5510 8.3182 118.6316 60.8919 28.1597 173.9371 30 G 3.9274 9.1874 111.8668 45.3661 0.0000 172.2531 31 G 4.2788 8.5859 105.2570 43.0924 0.0000 173.3346 32 G 4.3047 8.2663 107.7666 44.9090 0.0000 173.6923 33 E 4.8052 8.6202 118.4156 56.7351 33.3021 176.1320 34 R 4.2812 7.9765 118.1403 55.6844 31.0917 177.2078 35 G 4.5435 8.5242 112.3675 44.3561 0.0000 171.2228 36 P 4.8805 0.0000 0.0000 61.2255 32.4552 174.5237 37 P 4.7221 0.0000 0.0000 63.3752 31.7379 176.4889 38 L 3.7816 9.2944 120.8862 57.2571 42.1514 176.4331 39 D 4.5382 7.4544 115.3992 51.6165 41.6897 174.6882 40 A 3.9871 8.9358 119.1558 56.2606 17.9852 179.9440 41 T 3.8249 8.1091 113.7261 66.9673 68.5176 176.1285 42 D 4.6121 8.7384 119.8361 57.5105 41.2468 178.5299 43 R 3.8865 8.0731 118.5435 58.8982 29.9130 178.6969 44 C 4.0426 7.9721 116.8854 63.1524 28.0731 175.9684 45 C 4.1529 7.7304 116.8369 62.5000 27.6986 175.8376 46 L 3.6472 7.7484 121.7199 57.9819 41.5406 178.7372 47 A 3.8581 8.1192 120.9883 55.4408 18.2928 178.8406 48 H 3.9222 8.3553 116.9677 59.6745 29.6692 177.2583 49 S 3.8934 8.3393 113.8389 61.5954 62.5229 175.6413 50 C 4.2794 8.5379 119.7974 62.8074 27.7895 175.4898 51 C 4.1336 8.6683 120.7948 62.8050 31.2396 175.3242 52 Y 4.3803 8.1188 118.1512 60.8270 37.2012 177.5824 53 D 4.6698 7.9519 118.5269 55.9995 40.9680 176.8342 54 T 4.5305 7.3777 108.7367 61.3343 69.1290 174.8553 55 L 4.8845 7.5219 120.5176 53.8089 42.5785 176.0138 56 P 4.1975 0.0000 0.0000 65.6715 31.8631 177.5209 *59 D 4.8754 7.9067 116.6292 53.2946 41.0127 174.3521 *61 C 5.1276 7.4721 116.6271 60.5870 29.7528 173.3886 *67 S 4.9338 8.2287 114.2168 57.5190 62.8986 172.8358 68 P 4.0113 0.0000 0.0000 65.7009 31.4361 178.9202 69 K 4.2588 8.0619 118.0209 58.4461 32.3243 178.4414 70 T 4.2139 7.6480 106.8802 62.1415 70.3487 173.6651 71 D 4.3507 8.2252 121.7624 54.0687 40.8742 175.9210 72 R 4.2534 8.3614 126.5516 56.3377 30.7534 175.5858 73 Y 5.0497 7.6940 118.1051 55.7873 41.2927 173.7628 74 K 4.9087 9.6255 119.8796 55.3140 35.3832 175.0049 75 Y 5.0690 7.8446 117.2241 56.6096 40.6710 173.3163 76 K 4.7953 8.9195 120.1111 54.8145 36.5605 175.1795 77 R 5.1114 8.2811 118.6035 54.2888 32.1535 175.3000 78 E 3.6717 9.3227 122.0657 59.2624 29.6113 177.4971 79 N 4.8882 7.6445 115.7716 53.6376 42.1712 175.6235 80 G 4.0453 7.7943 107.0038 45.1405 0.0000 172.3772 81 E 4.3286 7.8881 121.7035 55.6709 31.1611 175.3741 82 I 4.6160 8.2508 126.8888 61.0666 38.6053 175.2616 83 I 4.5344 8.6482 126.7487 59.6371 40.0208 174.6592 84 C 4.8104 8.7458 125.5408 59.0349 29.0480 173.7198 85 E 4.3374 8.4400 121.7446 56.6825 30.0585 176.0428 86 N 4.9315 8.2281 113.4966 53.9568 41.2462 178.6927 87 S 3.8725 7.5398 112.5152 60.6269 63.7119 173.9644 88 T 4.7111 7.8598 109.6075 59.2502 72.1262 174.6967 89 S 3.9082 8.6692 116.0090 61.6716 62.1571 175.5740 *91 C 4.4561 7.9616 116.5205 59.7493 30.0103 175.9059 92 K 4.2513 7.7689 118.6746 59.7076 31.5298 179.2408 93 K 3.7962 7.7046 118.5685 59.4834 32.2838 179.2635 94 R 3.8624 8.0092 118.4761 59.2104 30.0146 179.1272 95 I 3.6475 8.9135 119.9505 64.5102 37.0526 177.9195 96 C 3.3479 7.4501 119.3542 62.4473 31.2018 175.5728 97 E 3.8968 8.2301 120.0061 59.3215 28.9181 179.2092 98 C 4.1910 7.8423 116.5110 62.9763 28.2815 175.8873 99 D 4.3563 8.1667 120.4365 57.2030 40.3635 178.6155 100 K 3.7996 8.3415 120.3131 59.3095 32.0266 178.4507 101 A 3.9441 7.9796 121.1914 55.1520 18.2624 179.9716 102 V 3.3996 7.7130 117.0541 64.8890 31.5839 177.9900 103 A 3.8087 8.2328 122.4906 54.9218 18.1637 179.8863 104 V 3.5252 7.9504 116.6096 65.9937 31.4101 177.8606 105 C 4.0654 8.1631 118.7520 62.4546 31.2291 175.4444 106 L 3.9271 8.3070 120.0490 57.6815 41.4987 179.3399 107 R 3.9867 7.7628 118.0246 59.4422 29.9436 178.5463 108 K 4.0244 7.9051 117.6531 58.5504 31.8264 177.1860 109 N 5.2636 7.6094 117.8657 52.3647 39.8500 176.9236 110 L 4.1650 7.8672 123.8417 57.6647 41.4400 178.5683 111 N 4.4856 8.3635 116.0721 55.1096 37.3244 175.9897 112 T 4.6502 7.4536 106.7951 61.0842 69.2961 173.0910 113 Y 3.9406 8.1197 124.0000 58.1867 38.9768 174.8318 114 N 4.5326 8.6915 126.8809 51.2367 39.4516 174.8570 115 K 3.8288 8.5192 128.2610 59.3037 32.7109 178.8436 116 K 2.8811 7.8813 118.2686 58.6828 31.8475 178.0868 117 Y 4.5619 7.3480 115.7323 59.6164 37.4118 177.5744 118 T 4.1898 7.0119 117.0492 65.0346 69.3315 174.0471 119 Y 4.7914 7.1499 118.8982 55.9029 38.1521 175.1643 120 Y 3.9780 7.7158 116.8340 56.8433 39.3151 174.1146 121 P 3.6360 0.0000 0.0000 63.0941 31.7893 177.1287 122 N 4.3163 8.2133 118.4744 55.1935 38.6577 176.3826 *124 F 5.2998 7.7611 111.8671 56.2418 39.3983 175.8036 125 W 4.6952 7.9081 121.6040 58.9884 29.6895 176.7432 126 C 4.8139 8.0526 116.4053 59.0318 26.9501 173.7985 127 K 4.5543 7.7285 113.0003 56.1978 32.8640 177.8222 128 G 4.0256 8.1378 108.4594 45.6835 0.0000 173.5899 129 D 4.8280 8.5650 118.7150 53.4763 42.4963 176.4040 130 I 3.8428 8.4938 122.2335 62.1377 37.2266 175.5600 131 E 4.1442 8.9107 128.2435 56.1765 30.9657 175.6402 132 K 4.7303 8.3468 125.0553 54.5955 33.6740 176.3887 133 C 4.2347 8.7250 120.5819 60.2019 27.9794 173.6171 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 S 8.42 4.84 0.00 4.26 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 2 V 7.79 3.54 2.39 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 0.70 0.00 0.00 1.03 0.00 0.00 3 V 8.46 3.56 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 4 E 7.91 4.05 0.00 1.74 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 1.54 2.21 0.00 5 L 8.78 4.09 0.00 2.05 1.91 0.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.05 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.14 4.08 0.00 2.18 2.01 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.74 7.81 8 M 8.02 4.09 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 9 I 7.98 3.64 2.02 0.00 0.00 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 1.30 0.79 0.89 0.00 0.00 10 I 7.80 4.00 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.17 0.94 0.00 0.00 11 Q 8.07 4.01 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 12 E 8.17 4.15 0.00 1.96 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 2.40 2.39 0.00 13 T 8.15 4.24 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 1.09 0.00 0.00 14 G 7.66 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.94 4.68 0.00 2.04 1.76 0.00 1.49 0.00 0.00 1.26 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.31 7.81 17 S 8.46 4.65 0.00 4.09 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 18 P 0.00 4.42 0.00 2.34 2.31 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 19 F 8.46 5.10 0.00 3.02 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 20 P 0.00 4.47 0.00 1.87 0.71 0.00 3.57 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 21 S 7.73 4.27 0.00 4.16 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.93 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.24 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 24 S 8.02 4.87 0.00 4.03 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 25 Y 8.34 4.19 0.00 3.19 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 26 G 7.97 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 27 C 8.57 4.07 0.00 2.47 2.46 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 28 F 8.42 4.92 0.00 3.27 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 29 C 8.32 4.55 0.00 3.42 3.29 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 30 G 9.19 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 31 G 8.59 4.28 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 0.00 32 G 8.27 4.30 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 0.00 33 E 8.62 4.81 0.00 1.92 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 0.00 2.36 2.34 0.00 34 R 7.98 4.28 0.00 1.65 2.01 0.00 3.20 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.65 0.00 35 G 8.52 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.88 0.00 2.12 2.02 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 37 P 0.00 4.72 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 38 L 9.29 3.78 0.00 1.17 0.75 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.45 4.54 0.00 2.98 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 40 A 8.94 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.11 3.82 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 0.83 0.00 0.00 42 D 8.74 4.61 0.00 3.15 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 43 R 8.07 3.89 0.00 2.00 1.88 0.00 3.14 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 44 C 7.97 4.04 0.00 3.10 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 C 7.73 4.15 0.00 3.31 3.21 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 0.00 46 L 7.75 3.65 0.00 0.80 1.45 0.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.12 3.86 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 48 H 8.36 3.92 0.00 3.18 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.34 3.89 0.00 3.87 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 50 C 8.54 4.28 0.00 3.03 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 51 C 8.67 4.13 0.00 3.08 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 52 Y 8.12 4.38 0.00 3.12 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 53 D 7.95 4.67 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.38 4.53 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 55 L 7.52 4.88 0.00 1.66 1.56 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 2.21 2.32 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 *59 D 7.91 4.88 0.00 2.86 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 *61 C 7.47 5.13 0.00 3.03 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 *67 S 8.23 4.93 0.00 3.89 3.85 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 68 P 0.00 4.01 0.00 0.49 1.31 0.00 3.69 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 69 K 8.06 4.26 0.00 1.88 1.95 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.70 1.58 7.81 70 T 7.65 4.21 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 71 D 8.23 4.35 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 72 R 8.36 4.25 0.00 1.81 1.80 0.00 3.40 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 Y 7.69 5.05 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 74 K 9.63 4.91 0.00 1.83 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 75 Y 7.84 5.07 0.00 3.09 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 76 K 8.92 4.80 0.00 1.73 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.54 7.81 77 R 8.28 5.11 0.00 1.68 1.88 0.00 3.68 0.00 0.00 3.96 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 78 E 9.32 3.67 0.00 1.97 1.93 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 2.35 2.40 0.00 79 N 7.64 4.89 0.00 2.67 2.73 0.00 0.00 6.61 7.65 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 80 G 7.79 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 0.00 0.00 0.00 81 E 7.89 4.33 0.00 2.07 1.82 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 0.00 2.35 2.33 0.00 82 I 8.25 4.62 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.60 0.00 0.00 83 I 8.65 4.53 1.93 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 1.27 1.43 0.94 0.00 0.00 84 C 8.75 4.81 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.34 0.00 1.97 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 0.00 2.62 2.33 0.00 86 N 8.23 4.93 0.00 2.76 2.83 0.00 0.00 6.61 7.31 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 87 S 7.54 3.87 0.00 3.85 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 88 T 7.86 4.71 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 89 S 8.67 3.91 0.00 3.87 3.89 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 *91 C 7.96 4.46 0.00 3.05 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 92 K 7.77 4.25 0.00 1.76 1.98 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.53 7.81 93 K 7.70 3.80 0.00 1.97 1.94 0.00 1.45 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 94 R 8.01 3.86 0.00 2.01 1.93 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 95 I 8.91 3.65 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.97 0.00 0.00 96 C 7.45 3.35 0.00 1.94 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 97 E 8.23 3.90 0.00 2.11 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 2.50 2.45 0.00 98 C 7.84 4.19 0.00 3.50 3.19 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 99 D 8.17 4.36 0.00 2.93 2.79 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 0.00 0.00 0.00 100 K 8.34 3.80 0.00 1.66 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 101 A 7.98 3.94 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 0.00 102 V 7.71 3.40 1.86 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 0.58 0.00 0.00 0.78 0.00 0.00 103 A 8.23 3.81 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 0.00 104 V 7.95 3.53 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 0.95 0.00 0.00 0.90 0.00 0.00 105 C 8.16 4.07 0.00 3.15 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 0.00 106 L 8.31 3.93 0.00 1.55 1.45 0.22 0.31 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 0.00 107 R 7.76 3.99 0.00 1.97 2.06 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 108 K 7.91 4.02 0.00 1.79 1.95 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 109 N 7.61 5.26 0.00 2.72 2.81 0.00 0.00 7.13 6.71 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 0.00 110 L 7.87 4.17 0.00 1.73 1.71 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.49 0.00 2.89 3.11 0.00 0.00 5.79 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 0.00 112 T 7.45 4.65 4.30 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 1.24 0.00 0.00 113 Y 8.12 3.94 0.00 2.99 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 0.00 114 N 8.69 4.53 0.00 2.16 1.42 0.00 0.00 6.37 7.69 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 0.00 115 K 8.52 3.83 0.00 2.04 1.82 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.65 7.81 116 K 7.88 2.88 0.00 1.66 1.53 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.31 7.81 117 Y 7.35 4.56 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 0.00 0.00 0.00 118 T 7.01 4.19 4.51 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 1.39 0.00 0.00 119 Y 7.15 4.79 0.00 2.85 2.82 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 0.00 0.00 0.00 0.00 120 Y 7.72 3.98 0.00 3.06 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 0.00 121 P 0.00 3.64 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 122 N 8.21 4.32 0.00 2.65 2.83 0.00 0.00 6.84 8.13 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 *124 F 7.76 5.30 0.00 3.19 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 0.00 125 W 7.91 4.70 0.00 3.47 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 0.00 126 C 8.05 4.81 0.00 2.91 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 0.00 127 K 7.73 4.55 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.45 7.81 128 G 8.14 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 0.00 0.00 0.00 129 D 8.56 4.83 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.49 3.84 1.90 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 1.26 0.76 0.96 0.00 0.00 131 E 8.91 4.14 0.00 2.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 132 K 8.35 4.73 0.00 1.76 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.44 7.81 133 C 8.73 4.23 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.