NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 H 4.8007 8.4449 117.8366 55.6533 30.1788 172.4644 53 L 4.5147 8.3145 122.6714 53.2846 43.2910 175.5400 54 I 4.3009 8.4575 122.4270 58.0314 39.0476 172.5748 55 P 2.9700 0.0000 0.0000 61.0713 32.0484 174.5509 56 P 4.5528 0.0000 0.0000 61.9809 31.8038 175.2997 57 L 4.1026 8.4724 119.9391 56.9876 42.0553 176.5645 58 N 4.5005 9.0940 122.0806 53.9816 36.3618 173.9881 59 F 4.6848 7.9690 118.3134 58.9109 41.1380 174.5777 60 S 4.1232 6.5519 123.1790 58.7627 67.8853 178.3379 *62 V 3.8386 8.7802 115.2082 62.0369 32.6222 173.9779 63 D 4.5552 7.5557 116.2494 53.3943 44.4388 175.8945 64 N 3.9522 7.9671 117.7681 54.4945 38.6732 176.1975 65 G 4.0093 7.9364 102.3804 45.7751 0.0000 171.4609 66 I 4.8522 7.3572 121.5489 59.2805 39.8670 174.8221 67 F 5.1285 9.1130 123.7679 55.8120 43.7119 173.9142 68 R 5.7656 8.8313 116.1181 54.0508 33.4949 174.1802 69 S 4.9317 7.5539 113.5748 58.8378 65.9764 175.3614 70 G 4.4610 9.6256 108.9784 44.7564 0.0000 172.9648 71 F 3.9731 8.8080 123.1673 57.9139 39.4300 174.1471 72 P 4.7513 0.0000 0.0000 62.3106 32.1312 174.5503 73 D 4.5901 8.4439 118.6215 50.9173 42.9896 176.7781 74 S 2.7990 8.0470 114.3195 61.2886 62.4682 176.9803 75 A 3.9571 7.7483 120.5378 54.2876 18.3293 178.0712 76 N 4.8279 8.3043 116.6146 53.5208 39.3832 176.8967 77 F 3.7299 7.1826 119.9079 60.5904 38.7308 177.4446 78 S 4.1763 8.1245 112.2097 61.8161 62.8065 176.1118 79 F 4.1677 8.1550 124.0213 60.7636 38.7864 176.8002 80 L 3.8204 8.4094 118.9034 57.8746 40.9280 179.4123 81 Q 4.1285 8.7139 119.8496 59.2484 28.7041 178.2809 82 T 3.8350 7.7115 116.8188 66.4632 68.4846 176.3354 83 L 3.9485 7.0677 119.1418 55.2054 41.9032 177.2339 84 G 3.8355 7.6698 104.9146 45.9750 0.0000 174.2354 85 L 4.2041 8.0330 118.6223 55.1722 42.4775 177.5949 86 R 4.4456 9.1309 124.4388 58.4438 31.7584 175.8475 87 S 5.3280 7.8408 111.1698 57.3837 66.9331 173.2359 88 I 5.0689 9.4765 120.9652 59.7511 41.2013 174.9723 89 I 4.8132 8.8306 127.9035 60.1024 38.3215 173.6878 90 Y 4.9733 9.2891 129.9587 56.1810 40.5018 175.6178 91 L 5.1433 8.4229 125.9931 53.8361 43.2647 175.6381 92 C 4.9238 6.4458 115.4650 57.0625 31.0457 172.7549 93 P 4.3571 0.0000 0.0000 65.0430 31.5314 176.9475 94 E 4.2007 8.0755 117.8284 55.8199 29.9700 174.9297 95 P 4.6721 0.0000 0.0000 62.2006 32.2051 175.8959 96 Y 4.2820 8.6755 123.1651 56.6740 39.4140 174.6093 97 P 4.4781 0.0000 0.0000 62.7801 33.1631 176.7092 98 E 3.9220 8.6752 118.0844 59.4036 29.6063 178.5378 99 S 4.2088 8.1469 113.5585 61.8365 62.8657 175.9828 100 N 4.4340 8.3041 119.5645 56.0921 38.3551 177.0764 101 L 4.1469 8.0735 120.1994 57.8099 41.6295 179.2811 102 Q 3.9121 8.3893 119.6596 59.2738 28.9752 178.0835 103 F 3.8506 8.0289 121.4459 61.2932 39.1989 176.7090 104 L 3.8595 7.8122 118.2978 57.9302 41.4323 179.6948 105 K 3.8489 7.8864 117.6767 59.8178 31.8861 179.4496 106 S 4.0726 7.9113 114.1061 61.1727 62.7851 175.7475 107 N 4.5648 7.6651 115.8094 51.2739 39.8658 174.9828 108 G 3.9012 7.8393 109.1589 46.9115 0.0000 173.7410 109 I 4.6111 7.6742 116.7773 59.2913 40.0819 177.4060 110 R 4.0323 8.8348 128.2250 55.7633 31.2543 174.6543 111 L 4.7632 8.2712 128.8411 53.9222 43.2057 175.1671 112 F 4.6437 9.5620 126.0174 55.6710 41.4212 174.6114 113 Q 4.6871 8.1132 123.7909 54.3029 31.1389 175.2873 114 F 4.8834 8.8483 125.2936 54.4825 39.7219 172.7666 115 G 3.9535 8.3675 106.7807 46.8857 0.0000 170.0304 116 I 4.5349 8.0003 125.8370 58.9918 39.5687 175.3873 117 E 3.6868 9.0276 127.8781 56.7586 29.7041 176.5462 118 G 3.9040 8.5950 114.8577 44.2484 0.0000 172.2910 119 N 4.9420 8.3393 122.6365 50.8868 41.4123 174.4282 120 K 4.4737 8.2133 117.8699 55.4289 33.7874 178.3011 121 E 3.7819 8.6155 123.6285 59.2863 30.2243 176.9674 122 P 4.1360 0.0000 0.0000 65.1225 31.5981 175.8554 123 F 4.8078 8.0673 127.7717 55.5117 40.6293 174.0265 124 V 4.1081 7.4231 126.6110 61.0558 34.1092 174.8069 125 N 4.1292 7.8499 117.9907 53.0713 40.2055 173.6193 126 I 3.8591 7.9913 127.5574 59.3292 38.3474 174.6438 127 P 4.3323 0.0000 0.0000 62.3101 31.6302 176.4294 128 D 4.7607 8.8739 123.6411 57.8671 40.9493 177.2701 129 H 4.2020 8.2761 116.9555 59.5247 29.9939 176.6730 130 K 3.8622 8.0295 118.8817 59.5228 32.1989 179.0542 131 I 3.8300 7.7185 119.8155 64.2469 37.0060 179.8674 132 R 4.1413 7.9801 116.9782 56.6518 30.0393 178.5222 *134 A 3.8149 8.0066 123.6817 51.9451 20.6697 179.7079 135 L 3.8567 8.0477 117.4511 58.1944 41.7389 179.0370 136 K 3.8746 7.8913 118.0165 59.2853 32.3802 178.6608 137 V 3.5762 7.6685 117.5943 66.2445 31.0849 177.7920 138 L 3.8923 7.7655 118.5818 58.2118 42.0273 178.6672 139 L 4.3387 7.7552 116.9140 55.5509 41.8635 176.5867 140 D 4.5218 7.6329 119.7095 52.9833 40.9863 176.2418 141 E 3.5627 8.8109 127.7793 59.3704 29.7657 179.7472 142 K 3.9016 8.3157 117.4834 59.6629 32.1938 178.0533 143 N 4.6082 8.1025 114.8558 55.7880 38.7648 175.6048 144 H 4.5727 7.7184 115.3678 54.9269 29.4679 173.3846 145 P 4.7739 0.0000 0.0000 62.7306 32.4846 175.4020 146 V 5.3810 8.9632 123.9586 60.1478 34.9126 173.8805 147 L 5.2531 8.6024 128.2003 53.5638 44.6881 174.7339 148 I 4.9369 9.0664 128.5630 60.5473 39.1624 174.6856 149 H 5.7147 9.1199 120.1409 55.2676 31.7144 171.9237 150 C 4.7740 8.5858 116.9412 58.3039 32.1250 174.5770 151 K 4.4584 9.2785 115.4231 58.5825 32.0064 178.7173 152 R 4.4413 8.1796 116.9010 55.0867 31.1648 176.2334 153 G 3.9595 8.0735 105.5223 47.1234 0.0000 173.8334 154 K 4.2799 7.7789 116.2856 57.6878 34.8047 178.3703 155 H 5.0255 7.4138 116.3549 57.5324 29.0862 177.7088 156 R 3.8492 7.8326 118.7899 59.9048 30.2945 179.1865 157 T 3.9627 7.9979 114.9036 66.6580 68.4039 176.6935 158 G 4.0417 7.9389 108.3889 47.4008 0.0000 175.3893 159 C 4.1658 8.7102 119.3734 62.4684 28.1975 175.6834 160 L 3.8006 7.5781 121.4782 58.4343 41.6841 179.3130 161 V 3.5913 7.8707 118.0046 65.5910 31.3281 178.1494 162 G 3.5967 8.1460 105.7773 48.1898 0.0000 175.6040 163 C 3.9831 8.2316 119.9873 61.6942 27.8134 176.0654 164 L 3.8050 7.5657 122.3245 58.1964 41.7052 179.1845 165 R 3.3225 7.6379 117.9376 58.8247 29.8279 178.8776 166 K 3.8946 7.7733 119.4147 59.4548 31.9301 178.7998 167 L 4.0230 7.5402 118.1266 57.9087 41.7000 179.0980 168 Q 4.1743 7.7842 113.6655 55.7364 28.8683 176.0206 169 K 3.9016 7.8451 118.2397 57.3641 29.6994 175.8991 170 W 4.7914 8.0434 117.6430 55.5723 30.9459 177.3123 171 C 4.4014 8.3175 116.6928 57.7569 31.4033 174.5235 172 L 3.3951 8.4325 122.9202 58.3948 41.2081 179.9086 173 T 4.1106 7.8146 114.7054 67.0442 68.5128 176.6060 174 S 4.1837 7.9644 116.2111 61.5039 62.9388 176.4734 175 I 3.9227 8.4073 122.8596 64.6612 36.9131 178.4018 176 F 4.6895 8.7090 119.4810 60.8024 38.7926 177.0303 177 D 4.4955 8.3204 117.4997 57.5064 40.4978 178.1303 178 E 4.0420 8.4276 119.4572 59.4408 29.8685 177.8001 179 Y 4.1514 8.2153 119.6393 61.2326 38.8492 178.3601 180 Q 3.8843 8.8987 119.0186 58.9587 28.6016 178.5769 181 R 3.8995 7.7392 118.7259 59.1586 29.8856 177.5787 182 F 4.4853 7.2742 115.2493 59.1835 40.1243 177.6956 183 A 3.8820 7.6728 119.8536 53.2812 18.4689 178.1537 184 A 3.3480 9.0152 120.2697 52.8438 17.7784 180.8020 185 A 3.9746 8.8746 120.1637 56.8748 18.2140 178.4949 186 K 4.4789 7.8184 113.7978 56.0611 32.3072 176.2421 187 A 4.2493 8.1756 124.0597 52.0403 18.8642 178.6052 188 R 4.7842 8.7739 120.7470 54.2840 32.8043 177.5315 189 V 3.4975 8.2123 121.5340 66.3325 31.6057 178.1954 190 S 4.0510 8.2719 114.1738 62.1627 62.3937 176.0545 191 D 4.3173 8.0720 120.2345 58.0669 40.4091 179.1940 192 Q 4.0246 7.0125 115.9984 58.8245 28.7979 178.9471 193 R 4.0877 8.1905 120.1040 59.3120 29.2798 178.9353 194 F 4.2547 8.3758 118.9183 59.2468 39.6400 176.0827 *196 E 4.4035 8.1294 119.0923 55.4298 31.0454 176.2420 197 I 4.2343 7.7921 117.0013 60.7348 37.2488 174.9647 198 F 4.0317 7.2713 121.1677 57.4177 39.1578 175.1793 199 D 4.2333 7.7714 128.2941 53.8612 39.6710 175.4420 200 V 3.8537 7.6165 126.7526 61.4182 30.0254 175.2170 201 S 4.5443 7.6200 115.6210 56.3991 64.7440 174.4996 202 S 4.0101 8.2073 122.3090 59.1674 62.8363 172.0942 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 52 H 8.44 4.80 0.00 3.17 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.31 4.51 0.00 1.80 1.78 1.03 0.55 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 54 I 8.46 4.30 1.99 0.00 0.00 0.80 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 0.74 0.78 0.00 0.00 55 P 0.00 2.97 0.00 1.52 0.49 0.00 3.29 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 56 P 0.00 4.55 0.00 2.27 2.21 0.00 3.18 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 57 L 8.47 4.10 0.00 1.76 1.66 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.09 4.50 0.00 2.98 2.96 0.00 0.00 6.77 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 59 F 7.97 4.68 0.00 3.14 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 60 S 6.55 4.12 0.00 4.08 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 *62 V 8.78 3.84 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 0.65 0.00 0.00 0.77 0.00 0.00 63 D 7.56 4.56 0.00 2.52 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 0.00 0.00 0.00 64 N 7.97 3.95 0.00 2.73 2.81 0.00 0.00 6.62 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 65 G 7.94 4.01 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 0.00 0.00 0.00 66 I 7.36 4.85 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.77 0.00 0.00 67 F 9.11 5.13 0.00 3.13 2.88 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 0.00 0.00 0.00 68 R 8.83 5.77 0.00 1.59 1.79 0.00 2.74 0.00 0.00 2.57 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.00 69 S 7.55 4.93 0.00 4.19 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 0.00 70 G 9.63 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 71 F 8.81 3.97 0.00 3.42 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 72 P 0.00 4.75 0.00 2.07 1.92 0.00 3.13 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 73 D 8.44 4.59 0.00 2.59 2.62 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 74 S 8.05 2.80 0.00 3.63 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 75 A 7.75 3.96 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 76 N 8.30 4.83 0.00 2.55 2.77 0.00 0.00 7.24 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 77 F 7.18 3.73 0.00 2.85 2.48 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 78 S 8.12 4.18 0.00 4.06 4.09 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 79 F 8.15 4.17 0.00 3.04 3.13 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 80 L 8.41 3.82 0.00 1.89 1.91 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.71 4.13 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 82 T 7.71 3.84 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 1.03 0.00 0.00 83 L 7.07 3.95 0.00 1.53 1.44 0.37 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.67 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 85 L 8.03 4.20 0.00 1.70 1.73 1.03 1.05 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 86 R 9.13 4.45 0.00 2.00 2.22 0.00 3.41 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 87 S 7.84 5.33 0.00 4.48 4.16 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 0.00 0.00 0.00 88 I 9.48 5.07 1.92 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 1.37 0.86 1.07 0.00 0.00 89 I 8.83 4.81 1.92 0.00 0.00 0.80 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 0.90 1.06 0.00 0.00 90 Y 9.29 4.97 0.00 2.77 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 91 L 8.42 5.14 0.00 1.59 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 92 C 6.45 4.92 0.00 2.60 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 93 P 0.00 4.36 0.00 2.18 2.16 0.00 3.74 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 1.99 2.12 0.00 94 E 8.08 4.20 0.00 2.21 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 2.37 2.46 0.00 95 P 0.00 4.67 0.00 2.14 2.08 0.00 3.77 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 2.09 2.15 0.00 96 Y 8.68 4.28 0.00 2.79 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 97 P 0.00 4.48 0.00 2.27 2.10 0.00 3.54 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 2.11 1.87 0.00 98 E 8.68 3.92 0.00 2.13 2.00 0.00 0.00 0.00 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 2.47 0.00 99 S 8.15 4.21 0.00 4.32 4.22 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 0.00 0.00 0.00 0.00 100 N 8.30 4.43 0.00 2.80 2.61 0.00 0.00 7.10 6.74 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 0.00 101 L 8.07 4.15 0.00 2.08 1.79 1.08 0.81 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 0.00 102 Q 8.39 3.91 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 103 F 8.03 3.85 0.00 2.08 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 0.00 104 L 7.81 3.86 0.00 2.02 1.66 0.74 1.01 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 0.00 105 K 7.89 3.85 0.00 1.77 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.62 7.81 106 S 7.91 4.07 0.00 3.71 3.81 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 0.00 107 N 7.67 4.56 0.00 2.15 2.45 0.00 0.00 7.09 7.18 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 0.00 108 G 7.84 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 0.00 109 I 7.67 4.61 1.83 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 1.33 0.63 0.98 0.00 0.00 110 R 8.83 4.03 0.00 1.83 1.83 0.00 2.90 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.25 0.00 111 L 8.27 4.76 0.00 1.41 1.33 0.44 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.56 4.64 0.00 2.81 2.56 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 0.00 113 Q 8.11 4.69 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.23 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 114 F 8.85 4.88 0.00 2.95 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 0.00 115 G 8.37 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 0.00 116 I 8.00 4.53 1.93 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 1.07 0.96 0.82 0.00 0.00 117 E 9.03 3.69 0.00 1.88 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 0.00 2.30 2.40 0.00 118 G 8.59 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 0.00 119 N 8.34 4.94 0.00 2.60 2.81 0.00 0.00 7.12 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 0.00 120 K 8.21 4.47 0.00 1.83 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 121 E 8.62 3.78 0.00 1.91 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 2.30 2.43 0.00 122 P 0.00 4.14 0.00 2.30 2.19 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 123 F 8.07 4.81 0.00 2.87 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 0.00 124 V 7.42 4.11 1.96 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 0.72 0.00 0.00 0.92 0.00 0.00 125 N 7.85 4.13 0.00 2.17 2.40 0.00 0.00 6.99 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 0.00 126 I 7.99 3.86 0.75 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 0.85 0.23 -0.08 0.00 0.00 127 P 0.00 4.33 0.00 2.12 2.02 0.00 3.46 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 128 D 8.87 4.76 0.00 2.99 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 0.00 129 H 8.28 4.20 0.00 3.17 3.34 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.03 3.86 0.00 1.74 1.88 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.57 7.81 131 I 7.72 3.83 2.17 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.85 0.00 0.00 132 R 7.98 4.14 0.00 2.07 1.97 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 *134 A 8.01 3.81 1.30 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 0.00 135 L 8.05 3.86 0.00 1.81 1.84 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.89 3.87 0.00 1.67 1.80 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 137 V 7.67 3.58 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 -0.38 0.00 0.00 0.97 0.00 0.00 138 L 7.77 3.89 0.00 1.69 1.80 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.76 4.34 0.00 1.78 1.69 0.91 0.91 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 0.00 140 D 7.63 4.52 0.00 2.69 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 0.00 141 E 8.81 3.56 0.00 1.96 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 0.00 2.32 2.26 0.00 142 K 8.32 3.90 0.00 1.88 1.92 0.00 2.08 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 143 N 8.10 4.61 0.00 2.86 2.89 0.00 0.00 7.08 7.57 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 0.00 144 H 7.72 4.57 0.00 3.23 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.77 0.00 2.32 2.24 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 146 V 8.96 5.38 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 1.42 0.00 0.00 1.02 0.00 0.00 147 L 8.60 5.25 0.00 1.96 1.64 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 148 I 9.07 4.94 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.97 0.00 0.00 149 H 9.12 5.71 0.00 3.38 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.59 4.77 0.00 3.00 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 0.00 151 K 9.28 4.46 0.00 2.01 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.57 7.81 152 R 8.18 4.44 0.00 1.84 1.94 0.00 3.44 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 153 G 8.07 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 0.00 154 K 7.78 4.28 0.00 1.44 1.50 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 155 H 7.41 5.03 0.00 3.24 3.56 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.83 3.85 0.00 1.86 1.96 0.00 3.29 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 157 T 8.00 3.96 4.19 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 nan 0.00 0.00 158 G 7.94 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 0.00 159 C 8.71 4.17 0.00 2.99 2.98 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 0.00 160 L 7.58 3.80 0.00 1.68 1.77 0.81 1.29 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 0.00 161 V 7.87 3.59 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 0.84 0.00 0.00 0.83 0.00 0.00 162 G 8.15 3.60 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 0.00 163 C 8.23 3.98 0.00 2.50 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 0.00 0.00 0.00 164 L 7.57 3.80 0.00 1.62 1.66 0.82 0.84 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 0.00 165 R 7.64 3.32 0.00 1.74 1.30 0.00 2.21 0.00 0.00 2.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.20 0.00 166 K 7.77 3.89 0.00 1.79 1.98 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 167 L 7.54 4.02 0.00 1.92 1.70 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 7.78 4.17 0.00 1.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 169 K 7.85 3.90 0.00 2.03 1.98 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.60 7.81 170 W 8.04 4.79 0.00 3.28 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 0.00 171 C 8.32 4.40 0.00 3.12 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 0.00 172 L 8.43 3.40 0.00 1.48 0.85 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.81 4.11 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 1.26 0.00 0.00 174 S 7.96 4.18 0.00 3.98 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 0.00 175 I 8.41 3.92 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.92 0.00 0.00 176 F 8.71 4.69 0.00 3.12 3.06 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 0.00 177 D 8.32 4.50 0.00 3.07 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 0.00 178 E 8.43 4.04 0.00 2.43 2.35 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 2.60 2.60 0.00 179 Y 8.22 4.15 0.00 3.33 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.90 3.88 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 181 R 7.74 3.90 0.00 1.78 1.89 0.00 2.79 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.42 0.00 182 F 7.27 4.49 0.00 2.75 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 0.00 183 A 7.67 3.88 1.05 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 0.00 184 A 9.02 3.35 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 0.00 185 A 8.87 3.97 1.30 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 0.00 186 K 7.82 4.48 0.00 1.96 1.94 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.55 7.81 187 A 8.18 4.25 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 0.00 188 R 8.77 4.78 0.00 2.21 2.03 0.00 2.93 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 189 V 8.21 3.50 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 1.01 0.00 0.00 0.90 0.00 0.00 190 S 8.27 4.05 0.00 3.84 3.87 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 0.00 191 D 8.07 4.32 0.00 2.45 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 0.00 192 Q 7.01 4.02 0.00 1.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.10 1.55 0.00 193 R 8.19 4.09 0.00 1.92 2.20 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 194 F 8.38 4.25 0.00 3.09 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 *196 E 8.13 4.40 0.00 2.32 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 2.25 2.44 0.00 197 I 7.79 4.23 1.83 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 1.19 0.96 0.88 0.00 0.00 198 F 7.27 4.03 0.00 2.65 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 0.00 199 D 7.77 4.23 0.00 2.43 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 0.00 0.00 0.00 200 V 7.62 3.85 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 0.87 0.00 0.00 1.13 0.00 0.00 201 S 7.62 4.54 0.00 3.82 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 0.00 202 S 8.21 4.01 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.