NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 E 4.3429 8.4449 121.4714 56.3939 31.8247 177.1052 44 Q 3.8757 7.8981 117.4977 58.0177 28.9399 177.4936 45 R 3.8608 8.0272 115.1084 56.9517 30.6387 177.3557 *47 S 4.5213 8.0912 112.8777 58.0922 64.5231 175.5546 48 H 4.3622 8.0387 117.2670 59.0605 28.4449 177.2698 49 H 4.2107 7.8598 118.0293 59.2509 28.4855 177.5221 50 Y 4.0640 8.0750 117.7560 60.9291 37.7614 178.1869 51 A 4.2193 8.1043 121.4086 55.4295 18.4335 179.8263 52 T 3.9304 7.8695 114.1318 66.4755 68.3820 177.2891 53 I 3.7030 7.6509 121.8834 64.3025 37.1497 178.0067 54 E 3.9515 8.3533 119.5673 59.5279 29.2517 179.5959 55 V 3.5298 7.8668 118.1826 66.1395 31.6162 178.2165 56 S 4.0767 8.0429 113.8800 61.4349 62.6313 176.5266 57 Q 3.9620 8.3395 121.7958 58.9508 28.4433 178.6294 58 Q 3.9484 8.1284 119.0270 59.0006 28.6374 179.0216 59 L 3.5522 8.0783 120.2389 57.6804 41.5510 179.8260 60 R 4.0462 8.1587 118.1421 59.0994 29.9433 178.8001 61 Q 4.2379 8.2991 121.0908 58.7771 29.0984 178.4738 62 L 4.3864 8.2035 121.5630 57.0418 41.6485 179.2430 63 L 4.1796 8.6973 121.0347 58.0301 42.0304 178.9796 64 G 3.9595 8.6261 106.1837 48.2225 0.0000 174.9009 65 D 4.4937 8.5293 122.1346 57.3820 40.8453 179.2642 66 Q 4.1494 8.1512 118.0267 58.9259 28.7290 178.8221 67 L 3.9618 8.0841 119.9277 57.9475 41.4934 179.6167 68 V 3.7773 7.9628 116.6970 66.2156 31.6842 177.8678 69 I 3.9007 7.7850 119.1726 64.5691 36.8777 178.4850 70 L 4.2213 8.0078 117.6741 56.7486 41.4295 178.3412 71 L 4.4986 7.7297 118.0243 53.9529 41.9802 176.4349 72 R 4.7092 6.9776 117.8771 54.2781 32.0256 176.0556 73 E 3.9828 10.0052 123.5360 59.2127 29.5127 177.8730 74 T 4.4954 7.5561 115.8088 60.6974 70.6581 171.9946 75 P 4.3292 0.0000 0.0000 62.9005 31.9585 177.0150 76 D 4.7250 8.5444 121.6311 52.8553 41.1930 176.8675 77 G 3.7781 8.6378 114.9285 47.9600 0.0000 173.3534 78 Q 3.9730 8.2827 119.5727 58.9677 28.8553 178.5807 79 A 4.0633 8.1191 121.5513 54.7054 18.2573 179.4167 80 L 3.9419 8.2622 119.7137 58.4445 42.1954 179.1748 81 E 4.4562 8.1863 118.7559 58.8212 29.5567 179.2160 82 R 3.9385 8.0247 119.2142 59.0968 30.0591 178.9305 83 S 4.1527 8.3015 113.0008 61.5483 62.3193 176.1854 84 Q 4.8963 8.4964 122.5284 58.6489 28.4296 178.4092 85 N 4.4588 8.5642 118.2115 56.4865 38.9848 176.8218 86 D 4.3345 8.2943 120.6079 57.1749 40.8502 178.3653 87 F 3.8125 8.6619 121.7610 61.3400 39.4177 177.4687 88 R 4.0312 8.1614 115.3132 58.8652 29.2274 178.8463 89 R 3.8244 7.9817 119.8171 59.4848 30.1707 178.5734 90 V 3.5032 7.7165 118.0387 65.7146 31.3198 177.7701 91 L 3.7351 7.8977 120.3327 58.1675 42.0276 178.6555 92 E 3.9120 8.2624 119.2614 59.2103 29.5496 178.5299 93 Q 4.0752 8.2178 120.0550 58.6932 29.2083 178.1882 94 G 3.5777 8.0996 107.0005 48.0510 0.0000 175.9998 95 R 3.9959 8.0809 119.4937 58.5710 30.0744 178.7280 96 A 4.1676 7.7928 120.1450 54.1110 18.5350 178.3210 97 N 4.8229 7.7918 111.6679 52.2935 39.8986 175.1784 98 T 4.0703 7.2779 118.4459 63.3622 69.2168 174.6394 99 V 3.7002 8.3642 126.7708 65.5389 32.2475 176.4512 100 D 4.4186 7.8988 119.1896 54.5598 42.3973 177.0034 101 S 4.1762 8.7231 121.5807 61.2348 63.2901 176.4725 102 A 4.0382 8.0879 124.1549 54.9927 18.2432 179.2721 103 E 3.9414 8.7969 117.3906 59.4423 29.5855 179.5645 104 Q 3.9678 8.2150 117.9790 58.9319 28.7790 178.6772 105 A 3.9822 8.0709 121.4614 55.0548 18.4403 179.2109 106 A 3.9596 8.2992 119.6535 55.7123 18.3387 179.9794 107 L 4.0206 8.1175 117.0740 57.8683 41.6147 179.4167 108 D 4.4929 8.1403 118.7850 57.3516 40.7637 179.0734 109 G 3.6418 7.9950 105.8455 47.8037 0.0000 175.8612 110 V 3.7183 7.9067 120.7355 65.6856 31.4677 178.1179 111 R 4.0543 8.3506 118.7708 59.6224 30.1095 178.1829 112 D 4.3737 8.2460 118.4509 57.4968 40.7574 178.7860 113 A 4.0669 8.2465 121.2131 55.0549 18.4109 179.0674 114 Y 3.9562 8.5124 118.6440 60.7738 38.7848 178.1378 115 L 3.7721 8.0980 119.9492 57.9898 41.5097 179.6207 116 Q 3.9337 7.6954 116.4095 58.6229 28.7714 178.1677 117 L 4.0156 7.9827 121.7187 58.3078 42.0847 179.0677 118 Q 3.7410 7.7556 117.8265 58.9376 28.4221 178.7923 119 A 3.9468 7.9076 120.3994 54.6284 18.3308 178.3360 120 H 4.6930 7.4674 112.2898 56.2522 29.2527 176.4760 121 T 4.1338 7.8653 120.5129 65.6835 68.3194 174.9362 122 P 4.0826 0.0000 0.0000 65.6697 31.0261 176.8208 123 A 3.9341 7.5569 119.1160 53.9731 19.2739 178.4574 124 L 4.7725 7.5356 115.2645 54.1301 43.3935 172.3899 *132 N 4.5166 8.2918 120.9660 51.0268 40.3433 174.9095 133 D 4.9677 8.8024 121.0069 54.3874 40.2028 177.5141 134 G 3.6227 8.2320 105.8175 47.5742 0.0000 175.3493 135 F 4.1310 8.3204 122.9801 61.2442 39.4520 176.9468 136 S 4.2449 8.4082 112.1141 61.6941 62.0762 175.9496 137 E 3.9912 8.0780 120.9291 59.0633 29.2174 179.0162 138 A 3.8840 8.0097 120.8261 54.9934 18.3945 179.0497 139 F 3.8932 8.2359 119.5504 61.5881 39.4301 176.5962 140 N 3.9707 8.0757 116.3657 56.7321 38.5449 176.8203 141 G 3.5488 7.8052 106.6106 47.6071 0.0000 175.1300 142 L 3.8888 7.9033 123.3955 57.9392 42.0824 179.4046 143 R 3.8118 7.7805 116.2135 59.1028 29.1893 178.7499 144 L 3.8941 7.5858 119.3494 57.6811 41.6231 179.6578 145 R 3.9237 7.7453 118.1075 58.9736 29.9442 179.1300 146 L 4.0037 7.7776 118.5945 57.6737 41.2469 179.5060 147 Q 3.9678 8.2192 118.1072 59.1234 28.7484 178.5469 148 D 4.3367 8.2190 119.9817 57.0760 40.9039 178.3737 149 L 3.9067 7.7829 120.8052 58.4161 42.0948 178.9781 150 Q 4.0689 8.1731 119.2287 59.3032 29.1116 177.9049 151 Q 4.2041 8.5411 118.6222 57.8270 28.6093 178.6404 152 L 3.9611 7.7894 120.3154 57.6723 41.8133 179.0253 153 A 3.9759 7.5785 119.2768 55.0467 18.2798 179.5962 154 L 4.0029 7.9463 117.2123 58.1607 41.5917 179.7503 155 A 4.0297 7.7774 118.6824 55.1804 18.2567 179.2575 156 G 3.6494 8.4484 104.2805 47.8159 0.0000 175.2223 157 I 3.8966 8.3821 123.2907 63.9049 37.5343 176.6954 158 S 4.2703 8.1087 116.3928 58.7395 62.2517 173.5438 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 43 E 8.44 4.34 0.00 1.95 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 2.19 2.28 0.00 44 Q 7.90 3.88 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 45 R 8.03 3.86 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 *47 S 8.09 4.52 0.00 4.13 4.02 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 48 H 8.04 4.36 0.00 3.14 3.25 0.00 5.70 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 49 H 7.86 4.21 0.00 3.07 3.20 0.00 5.62 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 50 Y 8.08 4.06 0.00 3.04 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 51 A 8.10 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 3.93 4.42 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 1.21 0.00 0.00 53 I 7.65 3.70 2.09 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.94 0.00 0.00 54 E 8.35 3.95 0.00 2.20 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 2.35 2.38 0.00 55 V 7.87 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 1.05 0.00 0.00 0.92 0.00 0.00 56 S 8.04 4.08 0.00 4.11 4.10 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 57 Q 8.34 3.96 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 58 Q 8.13 3.95 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 59 L 8.08 3.55 0.00 1.66 1.42 0.66 -0.01 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 60 R 8.16 4.05 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 61 Q 8.30 4.24 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 62 L 8.20 4.39 0.00 1.94 1.87 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.70 4.18 0.00 2.07 1.99 0.97 1.01 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 64 G 8.63 3.96 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 0.00 0.00 0.00 65 D 8.53 4.49 0.00 2.95 2.81 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 0.00 0.00 0.00 66 Q 8.15 4.15 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 67 L 8.08 3.96 0.00 1.97 1.55 0.84 0.71 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 68 V 7.96 3.78 2.36 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 0.90 0.00 0.00 1.17 0.00 0.00 69 I 7.79 3.90 2.06 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 1.56 1.05 0.94 0.00 0.00 70 L 8.01 4.22 0.00 1.62 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.73 4.50 0.00 1.77 1.86 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.98 4.71 0.00 2.01 1.87 0.00 3.45 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 73 E 10.01 3.98 0.00 1.87 2.28 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 2.35 2.34 0.00 74 T 7.56 4.50 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 75 P 0.00 4.33 0.00 2.04 2.01 0.00 3.67 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 2.03 2.09 0.00 76 D 8.54 4.73 0.00 2.79 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 77 G 8.64 3.78 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 0.00 0.00 0.00 78 Q 8.28 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 79 A 8.12 4.06 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 80 L 8.26 3.94 0.00 1.85 1.80 0.95 1.05 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 81 E 8.19 4.46 0.00 2.32 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 0.00 2.31 2.27 0.00 82 R 8.02 3.94 0.00 2.10 2.05 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 83 S 8.30 4.15 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 84 Q 8.50 4.90 0.00 2.36 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 85 N 8.56 4.46 0.00 2.88 2.98 0.00 0.00 7.19 8.01 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 86 D 8.29 4.33 0.00 3.05 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 87 F 8.66 3.81 0.00 3.10 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 88 R 8.16 4.03 0.00 2.31 2.47 0.00 2.91 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 89 R 7.98 3.82 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 90 V 7.72 3.50 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 0.81 0.00 0.00 0.89 0.00 0.00 91 L 7.90 3.74 0.00 1.44 1.64 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.26 3.91 0.00 2.35 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 2.33 2.37 0.00 93 Q 8.22 4.08 0.00 2.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 94 G 8.10 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 0.00 0.00 0.00 95 R 8.08 4.00 0.00 1.78 2.01 0.00 3.26 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 96 A 7.79 4.17 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 97 N 7.79 4.82 0.00 2.76 2.82 0.00 0.00 7.07 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 98 T 7.28 4.07 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 99 V 8.36 3.70 1.89 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 0.68 0.00 0.00 0.72 0.00 0.00 100 D 7.90 4.42 0.00 2.79 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 0.00 101 S 8.72 4.18 0.00 4.09 4.10 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 0.00 102 A 8.09 4.04 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 0.00 103 E 8.80 3.94 0.00 2.18 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 2.34 2.37 0.00 104 Q 8.22 3.97 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 105 A 8.07 3.98 1.33 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 0.00 0.00 0.00 106 A 8.30 3.96 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 0.00 107 L 8.12 4.02 0.00 1.87 1.74 0.88 0.94 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 0.00 108 D 8.14 4.49 0.00 2.92 2.74 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 0.00 109 G 7.99 3.64 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 0.00 110 V 7.91 3.72 2.32 0.00 0.00 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 0.99 0.00 0.00 111 R 8.35 4.05 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 112 D 8.25 4.37 0.00 2.92 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 0.00 113 A 8.25 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 0.00 114 Y 8.51 3.96 0.00 3.11 3.18 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 0.00 115 L 8.10 3.77 0.00 1.88 1.66 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.70 3.93 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 117 L 7.98 4.02 0.00 1.70 1.55 0.84 0.58 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 0.00 118 Q 7.76 3.74 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 1.98 1.30 0.00 119 A 7.91 3.95 1.24 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 0.00 0.00 120 H 7.47 4.69 0.00 2.99 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.87 4.13 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 1.19 0.00 0.00 122 P 0.00 4.08 0.00 2.00 2.12 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 123 A 7.56 3.93 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 0.00 124 L 7.54 4.77 0.00 1.70 1.76 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *132 N 8.29 4.52 0.00 2.73 2.71 0.00 0.00 7.10 8.47 0.00 0.00 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 D 8.80 4.97 0.00 2.95 3.09 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 0.00 0.00 0.00 134 G 8.23 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.32 4.13 0.00 3.16 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 0.00 136 S 8.41 4.24 0.00 4.08 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 0.00 137 E 8.08 3.99 0.00 2.03 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 2.28 2.70 0.00 138 A 8.01 3.88 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 0.00 139 F 8.24 3.89 0.00 2.42 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 0.00 140 N 8.08 3.97 0.00 3.06 2.84 0.00 0.00 7.19 8.11 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 0.00 141 G 7.81 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 0.00 142 L 7.90 3.89 0.00 1.79 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.78 3.81 0.00 1.85 1.66 0.00 2.68 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.43 0.00 144 L 7.59 3.89 0.00 1.66 1.69 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.75 3.92 0.00 1.89 1.94 0.00 3.08 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 146 L 7.78 4.00 0.00 1.82 1.69 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.22 3.97 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 148 D 8.22 4.34 0.00 2.69 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 0.00 149 L 7.78 3.91 0.00 1.89 1.85 0.92 0.70 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 0.00 150 Q 8.17 4.07 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 151 Q 8.54 4.20 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 152 L 7.79 3.96 0.00 2.00 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.58 3.98 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 0.00 154 L 7.95 4.00 0.00 1.83 1.94 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.78 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.45 3.65 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 0.00 0.00 0.00 157 I 8.38 3.90 2.17 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 1.45 0.76 1.04 0.00 0.00 158 S 8.11 4.27 0.00 3.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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.