NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1451 8.3444 119.6701 55.7371 29.9815 174.0883 3 Y 3.9714 7.9119 122.3067 56.1955 39.6941 173.5085 4 F 5.1209 7.0591 124.9178 54.6167 43.1378 175.1525 5 S 4.3837 8.6196 122.6831 57.3325 64.7221 173.6894 6 P 4.1780 0.0000 0.0000 65.7009 31.1845 178.6603 7 E 4.1208 8.3300 117.7126 59.1164 29.5883 178.7426 8 Q 4.2137 7.7703 117.1057 58.9115 28.7782 178.3855 9 Q 4.0209 8.1769 119.2158 59.4148 28.7312 177.3744 10 Y 3.9871 8.3887 120.8231 60.7242 38.7526 177.6825 11 N 3.9122 8.2399 115.8878 56.4715 38.6061 177.2469 12 A 3.9887 7.8412 121.7424 55.0311 18.4271 179.5369 13 W 3.8487 8.4028 127.0897 60.3163 30.6502 178.3281 14 I 3.5400 7.6276 119.9452 64.3412 36.5264 177.9700 15 V 3.5236 7.4244 118.4965 66.6871 31.3535 178.0484 16 S 3.9267 7.5953 114.1322 61.7307 62.7652 176.4113 17 D 4.1275 7.6214 120.4167 56.6557 40.8414 178.3717 18 L 3.9077 8.4265 120.3449 57.7997 41.5067 179.7603 19 V 3.4798 7.3786 117.6533 64.7021 31.3476 177.9766 20 K 3.8397 7.6848 119.7552 59.4579 32.1994 178.6796 21 Q 4.0340 8.3676 118.5303 59.2833 28.1302 179.4131 22 I 3.8556 8.0798 120.7695 63.8859 37.0393 178.3581 23 F 3.7966 8.5913 122.2226 60.4501 40.0956 174.6550 24 H 5.0630 7.4073 119.2955 53.4169 28.1997 173.0307 25 K 4.3942 8.2230 132.8231 56.9641 35.3828 175.9585 26 R 3.8649 7.4879 116.9937 58.7879 30.5700 176.7544 27 A 4.3067 8.2641 120.5572 51.1542 19.8369 178.6388 28 G 3.7664 8.5052 108.5169 48.4693 0.0000 175.7263 29 C 4.8255 7.4940 117.0187 56.7239 28.8037 176.4477 30 S 4.5500 8.6111 108.4817 56.0217 64.6807 172.0337 31 P 3.3233 0.0000 0.0000 62.5338 31.4308 175.8821 32 G 4.1273 7.5966 103.0951 42.1838 0.0000 173.2418 33 I 3.6547 8.2570 123.6459 64.7993 37.3508 178.3451 34 H 4.3456 8.1268 118.1845 59.5448 29.8396 175.9048 35 E 3.8711 8.3107 120.4633 59.2128 29.3049 178.0380 36 L 3.7791 8.5314 120.6893 58.1812 41.9669 179.6877 37 A 3.8134 7.4397 119.4121 55.2157 18.3489 179.8111 38 V 3.4995 7.5935 116.4151 66.0291 31.0214 177.9717 39 F 4.0067 8.5345 120.2870 60.8239 39.2566 176.4749 40 A 4.4634 8.0023 119.3177 53.5036 18.5732 178.8846 41 E 4.1871 7.9217 120.0862 58.3648 29.7739 178.3225 42 E 3.8489 8.0241 116.5920 59.6281 29.7184 177.6773 43 H 4.0414 7.2651 114.9026 57.1301 29.0472 176.0366 44 F 4.7115 7.5452 113.9083 56.2409 40.2751 174.0286 45 H 4.3680 8.2657 116.2149 56.7288 26.5213 174.5566 46 I 3.6160 8.0320 118.9610 60.0057 38.4791 175.3302 47 D 4.6553 8.2042 124.7164 52.9102 40.3003 176.8849 48 I 3.3395 7.8186 127.3225 63.8862 37.2280 177.0003 49 D 4.3421 8.1872 119.1959 57.5274 40.6265 178.2202 50 F 4.1726 8.3873 120.0986 61.6948 39.3097 177.4458 51 V 3.2904 7.7560 117.1992 66.1977 31.0925 178.0594 52 F 4.5691 8.2893 116.2106 60.6281 39.1098 177.4751 53 S 4.8931 8.1544 116.2415 61.2004 62.4225 176.8020 54 I 2.9322 6.8933 120.7403 64.0840 36.8741 178.1517 55 I 3.8937 7.0717 116.4731 63.0245 36.8459 176.3046 *57 N 5.3447 7.7148 116.8543 52.9208 40.7634 173.9552 58 I 4.0059 7.5900 118.6699 62.4997 38.1143 175.1831 59 G 4.3506 8.7495 111.6919 45.9299 0.0000 172.5276 60 D 5.0194 8.3179 120.1593 52.6610 43.3684 175.1802 61 I 4.7505 7.8298 117.7799 59.8953 40.7387 174.0730 62 E 4.1435 8.4214 123.4980 59.3074 30.2355 179.3389 63 F 4.6576 7.7901 119.1732 57.4197 37.8039 177.9976 64 A 4.7606 7.7343 124.2295 50.8012 18.9836 177.5291 65 L 4.6982 8.0085 123.7656 54.8125 42.4917 175.6812 66 T 4.6402 8.8776 114.4694 63.6409 76.4400 175.1787 67 D 4.3556 7.9489 120.8909 56.7071 40.7684 178.5296 68 E 3.8011 7.5777 116.1912 58.9469 29.6724 178.3902 69 I 4.0087 7.7023 114.4261 62.5894 38.1805 175.5005 70 E 3.9408 7.9366 118.2307 58.4125 30.4214 177.5565 71 K 3.8499 7.5729 119.6628 58.4897 32.2073 178.7600 72 K 3.6470 7.6219 120.6886 59.2159 32.3986 178.4496 73 L 4.0417 7.8325 119.0137 57.8185 41.2891 179.5210 74 S 4.4524 9.0917 114.8571 61.3846 62.4432 176.7586 75 G 3.6122 7.6661 109.2015 47.8283 0.0000 175.3692 76 Y 4.5250 7.6038 119.1247 60.9824 37.9314 177.8616 77 L 4.0494 8.0564 119.9171 58.3573 41.6089 179.5892 78 S 4.3157 8.1952 114.0543 62.4510 62.9018 177.0141 79 T 4.1919 7.6233 116.8092 65.9882 68.4669 176.0424 80 L 4.4833 7.8183 119.9353 56.2441 42.3301 178.5822 81 L 4.0140 8.3993 119.6403 57.6774 41.4343 177.6661 82 P 4.1102 0.0000 0.0000 65.8158 31.2357 176.7546 83 Y 4.5764 7.9179 112.4656 58.1725 38.2240 175.5733 84 V 4.5183 7.9436 114.1670 59.6168 34.2983 175.7204 85 T 4.4067 8.1559 112.9387 60.0789 71.2242 174.4948 86 A 4.1597 8.5799 123.0026 55.8524 18.5104 180.8419 87 D 4.5766 8.0733 112.9612 55.0986 40.5613 178.3708 *89 F 4.5114 8.2230 122.0477 58.3876 41.0760 176.8691 90 E 4.0860 8.5147 119.9194 59.7310 29.1404 179.6339 91 T 3.9184 8.4593 116.5854 66.6292 68.4768 176.9268 92 S 4.7859 7.8348 117.0753 60.7309 63.1988 176.5232 93 K 3.7525 8.1963 122.1415 59.0063 31.7220 178.9970 94 A 4.0378 8.3083 121.2623 55.5329 18.1734 179.2807 95 N 4.2274 8.1079 113.1716 56.4346 38.9074 177.2807 96 A 2.8963 8.0861 121.9861 55.2931 18.6223 179.3511 97 H 4.1650 8.1653 114.3280 59.0739 28.5360 177.9392 98 A 4.0022 7.9411 121.9236 54.9510 18.2500 179.0406 99 F 4.1778 7.6683 118.0468 59.5841 39.8565 175.7128 100 L 4.2766 7.1782 118.5943 53.9226 41.6772 175.5048 101 S 4.4385 7.2267 112.1598 56.8408 67.4437 173.6313 *107 A 3.8275 8.2899 122.9196 52.0286 19.1880 175.9165 108 A 4.5398 8.0545 125.1147 50.4715 21.0716 175.6782 109 Y 4.5279 7.9273 118.2326 56.0762 40.9394 174.7480 110 H 4.7089 9.9186 123.1247 55.1591 30.7623 174.8187 111 L 4.5830 8.3487 127.0329 53.5661 42.4550 176.6658 112 F 4.4823 9.7059 123.9307 59.3589 39.3683 175.6838 113 V 3.7250 8.8114 124.0441 63.4696 32.3438 172.6092 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 Q 8.34 4.15 0.00 1.74 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 3 Y 7.91 3.97 0.00 3.04 2.76 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 4 F 7.06 5.12 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 5 S 8.62 4.38 0.00 4.21 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 0.00 6 P 0.00 4.18 0.00 2.47 2.15 0.00 3.77 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 2.27 2.22 0.00 7 E 8.33 4.12 0.00 2.35 2.16 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 2.69 2.56 0.00 8 Q 7.77 4.21 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 9 Q 8.18 4.02 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 10 Y 8.39 3.99 0.00 2.47 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 11 N 8.24 3.91 0.00 2.07 2.39 0.00 0.00 7.06 8.14 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 12 A 7.84 3.99 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 13 W 8.40 3.85 0.00 3.46 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 14 I 7.63 3.54 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.36 0.59 0.00 0.00 15 V 7.42 3.52 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 1.00 0.00 0.00 1.11 0.00 0.00 16 S 7.60 3.93 0.00 3.58 3.54 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 17 D 7.62 4.13 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 3.91 0.00 1.72 1.65 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.38 3.48 1.90 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 0.69 0.00 0.00 1.12 0.00 0.00 20 K 7.68 3.84 0.00 1.91 1.83 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.23 7.81 21 Q 8.37 4.03 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 22 I 8.08 3.86 2.13 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 1.69 1.32 1.15 0.00 0.00 23 F 8.59 3.80 0.00 2.41 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 24 H 7.41 5.06 0.00 3.37 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.22 4.39 0.00 1.93 1.96 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.23 7.81 26 R 7.49 3.86 0.00 1.92 1.87 0.00 3.29 0.00 0.00 3.32 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 27 A 8.26 4.31 1.04 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 28 G 8.51 3.77 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 0.00 0.00 0.00 29 C 7.49 4.83 0.00 3.07 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 0.00 0.00 0.00 30 S 8.61 4.55 0.00 3.86 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 P 0.00 3.32 0.00 1.57 1.09 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.00 32 G 7.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.26 3.65 1.86 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 1.45 1.00 0.91 0.00 0.00 34 H 8.13 4.35 0.00 3.25 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.31 3.87 0.00 2.04 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 2.58 2.48 0.00 36 L 8.53 3.78 0.00 1.38 1.65 0.73 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.44 3.81 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 38 V 7.59 3.50 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 1.03 0.00 0.00 0.84 0.00 0.00 39 F 8.53 4.01 0.00 3.41 3.35 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 40 A 8.00 4.46 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 41 E 7.92 4.19 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 42 E 8.02 3.85 0.00 1.99 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 2.24 1.72 0.00 43 H 7.27 4.04 0.00 2.64 2.09 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.55 4.71 0.00 3.03 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 45 H 8.27 4.37 0.00 3.24 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.03 3.62 1.73 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 1.09 1.04 -0.07 0.00 0.00 47 D 8.20 4.66 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 48 I 7.82 3.34 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.42 -0.32 0.00 0.00 49 D 8.19 4.34 0.00 2.92 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 50 F 8.39 4.17 0.00 3.28 3.41 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 51 V 7.76 3.29 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 0.93 0.00 0.00 1.13 0.00 0.00 52 F 8.29 4.57 0.00 2.93 2.94 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 53 S 8.15 4.89 0.00 3.99 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 54 I 6.89 2.93 1.59 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.58 0.00 0.00 55 I 7.07 3.89 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 1.09 0.00 0.00 *57 N 7.71 5.34 0.00 2.80 2.95 0.00 0.00 7.39 7.94 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 58 I 7.59 4.01 1.92 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 1.39 0.98 0.95 0.00 0.00 59 G 8.75 4.35 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 0.00 60 D 8.32 5.02 0.00 2.73 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 61 I 7.83 4.75 2.12 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 1.22 0.00 0.00 62 E 8.42 4.14 0.00 1.95 1.74 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 2.26 2.33 0.00 63 F 7.79 4.66 0.00 3.02 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 64 A 7.73 4.76 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.70 0.00 1.85 1.08 1.00 1.06 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 66 T 8.88 4.64 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 1.25 0.00 0.00 67 D 7.95 4.36 0.00 2.70 2.66 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 68 E 7.58 3.80 0.00 2.04 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 2.18 2.30 0.00 69 I 7.70 4.01 2.05 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 1.91 1.14 1.04 0.00 0.00 70 E 7.94 3.94 0.00 1.71 1.72 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 1.71 1.47 0.00 71 K 7.57 3.85 0.00 1.93 1.95 0.00 1.20 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.40 7.81 72 K 7.62 3.65 0.00 1.67 1.60 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.74 1.02 7.81 73 L 7.83 4.04 0.00 2.13 1.99 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.09 4.45 0.00 4.13 4.34 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 75 G 7.67 3.61 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 0.00 76 Y 7.60 4.52 0.00 3.21 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 77 L 8.06 4.05 0.00 2.03 1.85 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.20 4.32 0.00 3.90 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 79 T 7.62 4.19 4.64 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 1.49 0.00 0.00 80 L 7.82 4.48 0.00 1.72 1.63 0.76 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.40 4.01 0.00 1.65 1.75 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.11 0.00 1.49 1.85 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 83 Y 7.92 4.58 0.00 3.17 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 84 V 7.94 4.52 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 0.80 0.00 0.00 1.14 0.00 0.00 85 T 8.16 4.41 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 86 A 8.58 4.16 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 87 D 8.07 4.58 0.00 2.75 2.73 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 *89 F 8.22 4.51 0.00 3.28 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 90 E 8.51 4.09 0.00 2.25 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 0.00 2.64 2.59 0.00 91 T 8.46 3.92 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 1.23 0.00 0.00 92 S 7.83 4.79 0.00 3.96 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 93 K 8.20 3.75 0.00 1.98 2.03 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.37 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.07 1.18 7.81 94 A 8.31 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 95 N 8.11 4.23 0.00 3.05 3.17 0.00 0.00 7.11 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 96 A 8.09 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.17 4.17 0.00 3.45 3.43 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.94 4.00 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 99 F 7.67 4.18 0.00 2.07 2.27 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 0.00 100 L 7.18 4.28 0.00 1.57 1.48 0.58 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.23 4.44 0.00 3.74 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 *107 A 8.29 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.05 4.54 1.11 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 0.00 0.00 109 Y 7.93 4.53 0.00 1.45 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.92 4.71 0.00 3.12 3.73 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.35 4.58 0.00 1.77 1.71 1.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.71 4.48 0.00 2.99 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 0.00 113 V 8.81 3.72 2.17 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 0.76 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.