NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4351 8.1844 120.6415 54.8679 43.2682 175.4105 8 H 4.9425 8.6540 122.1631 53.8871 33.0493 170.7094 9 K 4.7765 9.3434 125.5572 55.5171 34.0016 175.3818 10 E 4.8317 8.9830 122.5188 53.8625 33.7436 173.7245 11 P 5.0219 0.0000 0.0000 62.9172 32.2592 175.4375 12 A 4.9182 8.4604 122.6230 51.1127 23.0190 175.6504 13 T 4.5599 8.3829 115.7058 61.1873 71.5252 173.7746 14 L 4.2082 8.7210 128.9952 55.9432 42.2603 175.7976 15 I 4.3478 8.6053 126.7862 62.3799 38.8256 176.3782 16 K 4.2358 7.7118 118.3975 55.3162 34.9020 174.0272 17 A 4.4556 8.5816 129.6337 51.3748 19.5767 176.8409 18 I 4.0564 8.4745 124.6408 63.6721 37.7802 175.2146 19 D 4.6189 7.4824 116.7941 53.4559 41.8618 175.4371 20 G 4.0452 8.9870 107.3607 48.8367 0.0000 173.5808 21 D 4.9871 8.1210 116.2501 52.8618 41.3629 175.6729 22 T 5.5723 8.3277 115.6687 60.7276 73.1015 173.0073 *24 K 4.7283 8.3892 121.8928 56.5954 33.8718 174.9427 25 L 5.2223 9.3453 123.6234 53.1574 46.8785 175.5984 26 M 4.8517 9.2523 122.1370 54.9687 33.1939 174.0277 27 Y 4.9824 9.3038 128.8679 55.8901 41.5401 175.8754 28 K 3.6859 9.1153 126.8755 57.5790 29.6025 175.9438 29 G 3.9655 8.3627 102.6812 45.7612 0.0000 173.2842 30 Q 4.7664 8.0118 117.6471 53.2598 32.0171 172.7439 31 P 5.0661 0.0000 0.0000 63.2924 32.3825 175.3833 32 M 5.0800 9.5239 122.5225 54.0648 37.2523 173.7119 33 T 4.8793 8.4758 111.3564 60.5693 71.2575 173.5106 34 F 5.1363 8.8793 122.8757 55.6681 42.4276 174.1863 35 R 5.0209 8.9320 121.5607 54.2342 33.0985 174.5525 36 L 4.4310 8.6295 126.9790 54.8286 42.1989 177.2494 37 L 3.9577 8.7457 124.1302 55.3449 42.9538 177.5610 38 L 4.1190 8.6994 119.3042 54.7990 39.4774 174.0325 39 V 5.1210 7.3463 110.0331 59.9906 36.3967 174.8054 40 D 4.7514 8.9454 121.6202 53.4010 43.9115 174.3453 41 T 4.8281 8.5676 116.5004 59.6607 70.5409 173.3232 42 P 4.4578 0.0000 0.0000 62.5741 32.2542 176.1911 43 E 4.1779 8.9264 122.8470 56.7565 30.0541 177.3471 44 T 4.8255 8.2945 111.1399 60.9003 72.2030 173.4452 45 K 4.1315 7.7592 121.8897 57.0934 32.1056 178.7563 46 H 3.7296 8.5481 120.7192 54.2024 29.1970 171.6255 47 P 4.1583 0.0000 0.0000 65.8197 31.2651 177.5923 48 K 4.2607 8.0073 116.6730 56.3420 32.0997 176.5701 49 K 4.5890 8.3640 115.9755 56.7873 39.7142 177.5797 50 G 3.7323 8.1035 106.1400 44.7360 0.0000 173.5799 51 V 4.0830 7.9480 117.7549 61.3138 30.4208 176.4356 52 E 4.1480 8.7550 125.7519 55.1337 30.1934 176.7054 53 K 3.9976 8.1373 122.3203 58.0166 32.7898 176.8523 54 Y 4.6080 7.9090 122.0017 59.5356 36.0151 171.2614 55 G 3.5668 8.0164 107.1630 47.5531 0.0000 174.2339 56 P 4.3142 0.0000 0.0000 64.9056 31.3488 178.6433 57 E 4.0049 8.1781 116.7673 59.4918 29.5586 179.0909 58 A 4.1146 8.5252 121.1870 55.2725 18.1945 179.8983 59 S 4.1829 8.2021 113.5434 61.6050 62.9843 176.8243 60 A 4.0760 8.1686 123.4937 55.0117 18.1945 179.2547 61 F 4.0877 8.5134 119.4277 61.8839 39.4814 177.4204 62 T 3.7456 8.1041 115.0574 66.4543 68.2245 176.3411 63 K 3.8388 8.1932 121.5739 59.5311 32.2969 178.7424 64 K 3.8513 7.8082 118.2409 59.7375 31.7938 178.7502 65 M 3.8289 7.2602 116.3433 58.8597 31.9848 178.1897 66 V 3.8816 7.7752 111.7295 63.5113 31.7672 178.3304 67 E 3.9984 8.3366 117.6880 58.5700 29.4901 177.3273 68 N 4.7476 7.8036 113.6721 52.6978 38.8267 174.6301 69 A 4.5696 7.3440 121.5166 51.5743 19.5344 178.5684 70 K 4.2447 8.8548 121.0821 58.2178 32.9673 178.0420 71 K 4.7081 8.3515 117.3440 54.5921 36.6056 175.7149 72 I 5.0564 8.4102 124.3515 59.5874 40.6138 174.3235 73 E 5.1357 9.0219 124.6154 54.7190 33.9440 174.7760 74 V 4.5321 9.0510 116.9166 59.4524 34.5808 174.4967 75 E 5.0320 8.9271 125.6355 53.2861 31.9289 175.0772 76 F 4.6815 8.7855 125.7552 57.5360 40.1593 176.0088 77 D 4.9804 8.4792 120.6993 53.7259 43.1821 175.7037 78 K 4.3574 8.7142 116.5327 57.9173 33.3085 178.3167 79 G 4.1539 8.5707 113.1050 44.6965 0.0000 173.6514 80 Q 4.0951 8.5800 121.7824 56.5032 29.2603 176.9194 81 R 4.3824 8.4198 118.3942 57.0940 30.8767 176.1593 82 T 5.0135 7.3796 106.9911 59.7417 72.0452 173.3687 83 D 4.7738 8.4653 123.3369 51.6636 41.6317 177.0777 84 K 3.7985 8.4159 117.2187 59.9149 32.3000 177.0436 85 Y 4.2460 8.0565 115.0965 57.7455 38.0297 176.0325 86 G 3.8918 8.2584 108.1897 45.5163 0.0000 173.6626 87 R 4.3655 8.1936 119.4855 54.8521 31.6074 176.5139 88 G 3.1857 8.2531 111.2056 46.0662 0.0000 172.3164 89 L 5.2846 8.9314 123.3904 52.1728 43.7370 175.6216 90 A 4.3808 8.2847 124.1461 51.4303 23.2836 173.6277 91 Y 4.8190 8.7567 117.1161 56.8254 39.7893 175.4328 92 I 4.8886 8.4090 124.9678 59.6751 40.1394 174.2268 93 Y 5.1202 9.1381 123.9912 56.0833 41.0703 174.5829 94 A 4.7288 9.0939 125.6437 50.2029 21.2758 176.4846 95 D 4.2796 9.9703 125.2616 55.9875 38.9838 175.4785 96 G 3.9082 8.3753 104.5112 45.3581 0.0000 173.1904 97 K 4.4640 8.0128 122.3090 54.4934 33.6319 174.8700 98 M 3.9821 8.5485 125.9881 55.2182 32.9597 176.7916 99 V 3.6131 8.5803 127.6604 65.9586 31.5479 177.4932 100 N 4.3082 8.0735 115.8935 56.5212 38.3825 176.7843 101 E 3.8972 8.0966 119.6811 59.0475 29.7177 178.1454 102 A 4.0850 8.0186 120.9314 55.4306 18.3924 179.6584 103 L 3.8740 8.1860 117.2328 57.9382 41.7967 179.9601 104 V 3.6039 7.5214 118.1364 66.0704 31.2735 178.1028 105 R 3.9552 8.1942 117.6679 58.9820 29.9719 177.4967 106 Q 4.2646 7.5735 115.5904 54.8566 29.1800 175.7802 107 G 3.8998 7.9155 108.5575 46.9442 0.0000 174.8828 108 L 4.5194 7.7806 117.3009 54.0927 42.5338 176.1826 109 A 4.7407 7.5947 119.0169 50.8965 22.4224 175.5693 110 K 4.9306 8.5383 118.0193 54.2841 36.1085 176.0382 111 V 4.3813 8.7077 122.8122 63.1241 32.1417 175.0881 112 A 4.2687 9.0326 127.9846 50.7090 23.3140 174.8469 113 Y 3.2370 7.4326 113.6158 58.8979 35.1818 172.8587 114 V 3.6805 7.2435 118.7070 62.3104 31.5054 174.4104 115 Y 4.9750 8.0328 125.7839 55.7612 39.7120 176.0137 116 K 4.5770 8.7725 124.9229 56.1990 32.7444 174.9778 117 P 4.7434 0.0000 0.0000 63.1002 31.9882 176.8302 118 N 4.8743 8.1906 118.1723 52.6657 37.2177 174.9993 119 N 5.2102 7.6185 111.1634 52.7650 38.9109 177.4341 120 T 3.8572 8.7920 118.2369 67.8736 68.7766 175.0363 121 H 4.8742 8.1009 116.3271 55.7372 29.1941 176.5947 122 E 3.9922 8.4503 123.3920 59.7904 29.3617 178.9939 123 Q 4.0000 8.0570 117.4894 59.0101 28.6576 177.9267 124 H 4.1791 8.2036 118.8779 59.4116 29.9890 177.2378 125 L 3.9297 8.0151 120.7262 57.7845 41.4322 179.7278 126 R 3.9621 8.2691 118.4705 58.8372 30.0154 179.1872 127 K 4.0035 8.1288 118.9438 60.0007 32.6562 179.5847 128 S 4.1038 7.7855 116.4250 61.1385 62.6301 176.2111 129 E 3.9238 8.3511 122.0195 59.0389 29.2994 178.6208 130 A 3.7091 7.8546 120.8953 55.0713 18.4097 179.3809 131 Q 3.7694 7.9059 117.5448 59.3128 29.1894 178.2602 132 A 3.9990 7.9023 121.7327 55.0486 18.2899 179.8105 133 K 3.4087 7.8251 117.4533 59.3065 31.8853 179.8243 134 K 4.0044 7.8826 117.4644 59.3077 32.5103 177.9296 135 E 4.3019 7.9073 117.5362 54.9976 30.0313 175.8658 136 K 4.4925 8.0447 117.4015 56.0152 30.7395 175.3359 137 L 4.2086 8.1609 117.7586 55.9970 44.2470 178.2988 138 N 3.3878 9.2514 118.2661 53.8989 38.4288 176.6016 139 I 3.1642 5.4200 128.9638 64.5408 37.9094 176.4518 140 W 5.0057 8.1840 119.5967 56.3788 29.0917 176.5974 141 S 4.4346 8.1669 119.9555 58.4596 62.4841 173.7224 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 7 L 8.18 4.44 0.00 1.74 1.81 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.65 4.94 0.00 3.29 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.34 4.78 0.00 1.53 1.56 0.00 1.44 0.00 0.00 0.77 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 10 E 8.98 4.83 0.00 2.05 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 2.29 2.37 0.00 11 P 0.00 5.02 0.00 1.95 1.98 0.00 3.71 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 2.03 2.08 0.00 12 A 8.46 4.92 1.12 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 0.00 0.00 13 T 8.38 4.56 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 1.22 0.00 0.00 14 L 8.72 4.21 0.00 1.64 1.57 0.91 1.11 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 15 I 8.61 4.35 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.01 0.94 0.00 0.00 16 K 7.71 4.24 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.41 7.81 17 A 8.58 4.46 1.25 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 0.00 0.00 18 I 8.47 4.06 2.05 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 1.48 0.62 0.91 0.00 0.00 19 D 7.48 4.62 0.00 2.80 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 20 G 8.99 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 21 D 8.12 4.99 0.00 2.92 2.87 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 0.00 0.00 0.00 22 T 8.33 5.57 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 1.27 0.00 0.00 *24 K 8.39 4.73 0.00 1.78 1.84 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 25 L 9.35 5.22 0.00 1.56 1.59 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.25 4.85 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 Y 9.30 4.98 0.00 3.23 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 28 K 9.12 3.69 0.00 1.16 1.60 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.09 1.24 7.81 29 G 8.36 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 0.00 0.00 0.00 30 Q 8.01 4.77 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.16 0.00 0.00 0.00 0.00 0.00 2.71 2.41 0.00 31 P 0.00 5.07 0.00 2.15 2.15 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 32 M 9.52 5.08 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 33 T 8.48 4.88 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 1.23 0.00 0.00 34 F 8.88 5.14 0.00 2.97 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 35 R 8.93 5.02 0.00 1.83 1.70 0.00 3.32 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 36 L 8.63 4.43 0.00 1.60 1.60 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.75 3.96 0.00 0.96 1.19 0.36 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.70 4.12 0.00 2.00 1.81 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.35 5.12 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 0.78 0.00 0.00 0.97 0.00 0.00 40 D 8.95 4.75 0.00 2.85 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 41 T 8.57 4.83 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 1.24 0.00 0.00 42 P 0.00 4.46 0.00 2.19 2.04 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 2.14 2.05 0.00 43 E 8.93 4.18 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 44 T 8.29 4.83 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 45 K 7.76 4.13 0.00 1.75 1.14 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.36 7.81 46 H 8.55 3.73 0.00 3.22 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.59 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 4.16 0.00 2.12 2.07 0.00 3.28 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 48 K 8.01 4.26 0.00 1.84 1.94 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 K 8.36 4.59 0.00 1.96 1.90 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.53 7.81 50 G 8.10 3.73 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 0.00 51 V 7.95 4.08 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 0.82 0.00 0.00 0.97 0.00 0.00 52 E 8.75 4.15 0.00 2.07 1.84 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 2.32 2.39 0.00 53 K 8.14 4.00 0.00 1.55 1.59 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.52 7.81 54 Y 7.91 4.61 0.00 3.18 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 55 G 8.02 3.57 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 0.00 56 P 0.00 4.31 0.00 2.15 2.11 0.00 3.56 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 2.07 2.16 0.00 57 E 8.18 4.00 0.00 2.40 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 2.59 2.51 0.00 58 A 8.53 4.11 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 59 S 8.20 4.18 0.00 4.11 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 60 A 8.17 4.08 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 8.51 4.09 0.00 3.19 3.26 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 62 T 8.10 3.75 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 K 8.19 3.84 0.00 2.04 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 64 K 7.81 3.85 0.00 1.91 1.75 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 65 M 7.26 3.83 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 66 V 7.78 3.88 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 0.77 0.00 0.00 0.97 0.00 0.00 67 E 8.34 4.00 0.00 1.99 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 2.33 2.47 0.00 68 N 7.80 4.75 0.00 2.69 2.79 0.00 0.00 6.93 6.94 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 69 A 7.34 4.57 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 8.85 4.24 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.55 7.81 71 K 8.35 4.71 0.00 1.67 1.62 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 72 I 8.41 5.06 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.84 0.00 0.00 73 E 9.02 5.14 0.00 1.89 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 2.18 2.24 0.00 74 V 9.05 4.53 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 0.06 0.00 0.00 0.53 0.00 0.00 75 E 8.93 5.03 0.00 2.19 2.33 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 2.50 2.40 0.00 76 F 8.79 4.68 0.00 3.10 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 77 D 8.48 4.98 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 78 K 8.71 4.36 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.46 7.81 79 G 8.57 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 80 Q 8.58 4.10 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 81 R 8.42 4.38 0.00 1.64 1.50 0.00 2.75 0.00 0.00 2.55 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 82 T 7.38 5.01 4.18 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 1.11 0.00 0.00 83 D 8.47 4.77 0.00 2.94 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 84 K 8.42 3.80 0.00 1.54 1.79 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 0.44 7.81 85 Y 8.06 4.25 0.00 3.09 3.01 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 86 G 8.26 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 0.00 0.00 0.00 87 R 8.19 4.37 0.00 1.90 1.78 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 G 8.25 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 0.00 0.00 0.00 89 L 8.93 5.28 0.00 1.56 1.59 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.28 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.76 4.82 0.00 3.01 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 92 I 8.41 4.89 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.65 0.86 0.00 0.00 93 Y 9.14 5.12 0.00 2.89 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 9.09 4.73 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 95 D 9.97 4.28 0.00 2.75 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 96 G 8.38 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 97 K 8.01 4.46 0.00 1.81 1.77 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 98 M 8.55 3.98 0.00 1.95 1.57 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.40 0.00 99 V 8.58 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 1.00 0.00 0.00 0.92 0.00 0.00 100 N 8.07 4.31 0.00 2.91 2.94 0.00 0.00 7.01 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 0.00 101 E 8.10 3.90 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 2.23 2.14 0.00 102 A 8.02 4.08 1.60 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 0.00 0.00 103 L 8.19 3.87 0.00 1.91 1.74 1.05 0.84 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 7.52 3.60 2.21 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 1.09 0.00 0.00 1.01 0.00 0.00 105 R 8.19 3.96 0.00 1.93 1.94 0.00 3.33 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 Q 7.57 4.26 0.00 1.53 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.30 1.66 0.00 107 G 7.92 3.90 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 0.00 0.00 0.00 108 L 7.78 4.52 0.00 1.44 1.58 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.59 4.74 1.20 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 0.00 0.00 110 K 8.54 4.93 0.00 1.68 1.76 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.10 7.81 111 V 8.71 4.38 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 0.74 0.00 0.00 0.96 0.00 0.00 112 A 9.03 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.43 3.24 0.00 2.97 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 0.00 114 V 7.24 3.68 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 0.81 0.00 0.00 0.89 0.00 0.00 115 Y 8.03 4.97 0.00 3.06 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 0.00 116 K 8.77 4.58 0.00 1.81 1.80 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 117 P 0.00 4.74 0.00 2.22 2.17 0.00 3.81 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 2.07 2.01 0.00 118 N 8.19 4.87 0.00 3.00 2.89 0.00 0.00 6.94 8.78 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 0.00 119 N 7.62 5.21 0.00 2.86 3.00 0.00 0.00 6.13 7.48 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 0.00 120 T 8.79 3.86 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 1.05 0.00 0.00 121 H 8.10 4.87 0.00 2.91 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.45 3.99 0.00 2.18 2.01 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 2.33 2.39 0.00 123 Q 8.06 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.20 4.18 0.00 3.21 3.48 0.00 5.87 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 0.00 125 L 8.02 3.93 0.00 1.77 1.71 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.27 3.96 0.00 1.97 1.94 0.00 3.12 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 127 K 8.13 4.00 0.00 1.97 2.04 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.54 7.81 128 S 7.79 4.10 0.00 3.92 3.90 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 0.00 129 E 8.35 3.92 0.00 2.06 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 0.00 2.02 2.49 0.00 130 A 7.85 3.71 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 7.91 3.77 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 132 A 7.90 4.00 1.52 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 0.00 0.00 133 K 7.83 3.41 0.00 1.52 1.43 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.56 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.39 0.21 7.81 134 K 7.88 4.00 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.42 7.81 135 E 7.91 4.30 0.00 1.97 2.01 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 2.28 2.46 0.00 136 K 8.04 4.49 0.00 1.86 2.00 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 137 L 8.16 4.21 0.00 1.80 1.54 0.88 0.54 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 0.00 138 N 9.25 3.39 0.00 2.39 1.42 0.00 0.00 6.98 7.38 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 0.00 139 I 5.42 3.16 1.01 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 1.01 -0.02 -0.27 0.00 0.00 140 W 8.18 5.01 0.00 3.51 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 0.00 141 S 8.17 4.43 0.00 3.98 4.12 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 * Residues marked with a * may have inaccurate shift predictions.