NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4615 8.3349 116.8027 58.2830 65.2871 174.7424 3 Q 4.3078 7.6889 116.5753 55.7006 28.9388 176.3393 4 S 4.1439 8.6183 119.7171 61.7515 63.5337 175.6903 5 N 4.4304 8.1905 118.7078 56.4415 38.3011 177.3082 6 R 4.0033 8.0254 119.5887 59.3989 30.1763 178.2360 7 E 3.9350 8.3376 118.5611 59.2390 29.3726 179.3070 8 L 3.8808 7.9558 119.1201 57.6153 41.5963 179.6506 9 V 3.8315 7.9322 118.1437 66.1358 31.4711 178.0337 10 V 2.7392 7.7772 117.9633 65.7824 31.2218 177.3557 11 D 4.1485 8.0706 117.6128 57.2917 41.0030 178.0492 12 F 4.0137 8.3784 121.0432 61.3689 39.4102 177.0532 13 L 4.1712 8.4774 119.0332 58.0259 41.3374 179.7263 14 S 4.3369 8.1826 115.3411 61.6257 62.7449 176.0671 15 Y 4.1729 7.9772 122.1981 60.8039 38.3350 178.4480 16 K 3.8802 7.9128 118.0519 59.2130 32.3413 179.1126 17 L 4.3149 8.3662 119.6353 57.9505 41.6144 179.1501 18 S 4.3622 8.2426 114.6420 61.1100 62.0156 176.4535 19 Q 3.9201 7.7749 118.6464 58.0018 28.3322 178.0739 20 K 4.3665 7.8544 117.7221 55.5502 32.4154 176.9900 21 G 3.7655 7.8982 106.8630 45.8166 0.0000 173.2522 22 Y 5.0864 7.5130 116.3673 55.9412 40.7234 174.4578 23 S 4.8240 8.2516 116.8625 55.9496 64.5968 174.5070 24 W 4.5387 9.3462 135.0000 60.7946 30.4374 177.8957 25 S 4.1418 8.0226 110.8249 60.6381 62.8270 175.2708 26 Q 3.7427 7.3135 119.8198 57.8554 28.2473 177.0246 27 F 4.8001 6.9845 113.2083 57.1462 40.4453 174.8825 28 S 4.4610 7.0594 114.8490 57.2263 66.9857 173.2130 29 D 4.6944 8.1580 120.2416 54.1145 40.8903 177.6936 *83 S 4.2070 7.6866 112.2587 58.1059 64.7879 172.8350 84 E 3.9545 8.6763 127.3030 59.2178 29.2471 179.3653 85 A 3.9714 7.9616 120.5886 55.2116 18.4793 179.7380 86 V 3.6378 7.6875 116.1120 65.9801 31.7549 178.1233 87 K 3.7472 7.8588 118.1627 59.6235 31.9283 178.8461 88 Q 3.8650 8.3549 118.2912 59.4186 28.7029 179.4624 89 A 4.0857 8.0847 121.2078 55.0128 18.2852 179.5149 90 L 4.1843 8.1499 119.1008 58.3284 42.1680 179.1195 91 R 3.9897 8.0908 118.0785 59.5707 29.9675 178.9538 92 E 4.0561 8.3324 117.9230 59.3860 29.4131 179.2673 93 A 4.3085 8.5688 121.1297 54.9971 18.3701 179.9822 94 G 4.0016 8.8369 104.6718 48.3534 0.0000 175.5628 95 D 4.5376 8.5589 121.8237 57.1558 40.8344 179.0379 96 E 3.9922 8.4185 118.9001 59.4186 29.5784 178.8497 97 F 4.3515 8.7423 121.0468 61.8022 39.2097 177.1137 98 E 4.1506 8.5548 116.8339 59.1833 29.2904 178.8469 99 L 4.0134 7.7163 119.7964 58.0613 42.2601 178.6919 100 R 3.8447 7.9145 117.6678 58.4672 30.3550 177.2647 101 Y 4.5648 7.8624 116.9922 57.5073 39.4558 178.2868 102 R 3.9481 7.8709 119.5106 59.2033 29.5832 177.6329 103 R 3.8280 7.9078 118.8014 59.3919 30.3375 177.9132 104 A 4.1177 8.1760 120.1035 55.2041 18.4014 179.1065 105 F 4.0026 8.5629 119.2891 61.6941 39.5549 177.5909 106 S 4.7508 8.2659 114.8893 60.6946 62.7257 175.8853 107 D 4.3778 8.7445 122.9889 57.1844 40.6043 178.5908 108 L 3.9805 7.9924 120.8296 58.4706 42.1521 179.1890 109 T 3.9518 7.8562 109.6225 64.7505 68.4931 176.4861 110 S 4.2802 8.0726 115.9096 60.6090 63.2260 175.7034 111 Q 4.3615 7.5026 120.4382 56.1632 28.9866 175.8493 112 L 4.2818 7.5906 120.6905 54.4541 42.1111 176.9574 113 H 4.7456 8.4240 125.0979 54.1259 28.5931 172.2777 114 I 3.8580 7.8044 123.1488 60.9211 37.8513 175.7361 115 T 4.7382 7.9736 114.3271 58.8567 71.8481 173.1982 116 P 4.3172 0.0000 0.0000 65.6360 31.4609 178.2733 117 G 3.8011 8.0885 105.6529 47.2447 0.0000 174.5532 118 T 4.4636 7.6990 109.1326 61.1305 69.2884 175.7495 119 A 4.0690 7.8610 124.7636 56.0142 18.4999 179.2040 120 Y 2.9712 7.8288 117.1815 60.3483 38.8122 177.6804 121 Q 3.6348 7.8415 120.0025 59.1199 29.3113 178.3838 122 S 4.0142 8.1212 116.1088 61.8574 62.9220 175.7557 123 F 4.1777 8.4780 123.3737 62.0946 38.9137 176.7976 124 E 3.7962 8.5358 118.7486 59.1239 29.3859 178.9374 125 Q 3.7980 7.7740 119.8129 58.8187 28.9698 178.3646 126 V 3.2718 7.3212 118.7659 65.5683 31.6995 178.1293 127 V 3.1257 7.0292 117.9419 65.6976 30.9893 177.2242 128 N 4.2256 7.9284 116.0204 56.8355 39.1458 175.8458 129 E 3.9275 7.6762 120.0465 59.3558 29.4334 178.5591 130 L 3.6482 7.5835 119.1885 57.0123 42.1432 177.4708 131 F 4.9433 7.4752 114.9615 57.0702 39.6228 176.9146 132 R 3.9306 7.6203 122.9060 59.1647 29.8318 178.1420 133 D 4.8803 7.7838 114.8371 53.0178 39.6722 175.2950 134 G 3.9012 7.9053 105.0142 45.8142 0.0000 173.4056 135 V 4.0250 7.7303 118.7858 61.1916 32.8150 175.0911 136 N 4.7699 7.6909 122.8565 50.2383 41.8785 175.3469 137 W 4.4295 8.8593 119.3690 59.8251 28.9872 178.9697 138 G 3.6576 8.2964 105.3953 47.9048 0.0000 175.8591 139 R 3.6838 8.6754 120.8091 58.7993 30.1054 179.2066 140 I 3.9899 7.6697 119.3157 64.3561 37.0994 178.5158 141 V 3.6446 8.0187 118.8094 66.1001 31.3476 177.5741 142 A 2.9563 7.6655 120.6401 55.0386 18.0007 179.3788 143 F 4.0616 8.0727 118.7299 61.4033 39.3948 177.3690 144 F 3.5022 8.1753 116.7963 60.6309 38.6060 177.8332 145 S 4.6897 8.3064 114.7698 61.7213 62.5541 176.7260 146 F 4.2830 8.7775 123.9803 61.2266 39.1688 177.3538 147 G 3.4929 7.9438 105.5122 47.6289 0.0000 175.8435 148 G 3.7648 8.5998 107.9931 47.6397 0.0000 175.6126 149 A 4.0992 8.1893 123.7723 54.6789 18.3340 179.4388 150 L 3.7512 7.7861 118.8974 58.3848 42.1099 179.0720 151 C 4.0062 7.9676 116.5612 62.8108 28.0574 176.1588 152 V 3.6592 7.9862 119.9550 66.1055 31.0184 177.6234 153 E 3.9515 8.6992 119.3532 59.3103 29.4741 178.9398 154 S 4.0130 8.0371 115.1710 61.6106 62.9289 176.9104 155 V 3.2140 7.4360 120.7900 65.8279 30.8907 177.5801 156 D 4.5230 7.9607 117.7341 57.2028 40.7456 178.1706 157 K 4.3985 7.8281 116.0627 55.8124 32.2107 176.6771 158 E 3.7722 7.9496 117.0112 57.7852 27.7812 175.4089 159 M 4.6326 7.9910 117.8174 54.0421 31.6412 176.9713 160 Q 3.6999 7.6869 120.5866 58.3413 28.0439 178.4656 161 V 3.6438 7.6477 119.6318 64.1920 31.3207 177.7746 162 L 4.0051 7.6195 118.8674 56.4109 41.3737 179.1375 163 V 3.3810 7.3649 119.3673 66.0363 31.5346 178.1855 164 S 3.9944 7.6837 113.2034 61.0578 62.7979 176.5591 165 R 3.1893 6.9592 119.6908 58.8699 29.6747 178.7528 166 I 3.2676 7.3283 119.6124 64.1543 37.1025 178.0592 167 A 4.0171 8.0448 121.4690 55.4799 18.2018 179.6464 168 A 3.9710 7.6977 118.8938 55.0506 18.3816 179.9545 169 W 4.3628 7.6971 117.5832 59.9323 28.8989 178.7229 170 M 4.6171 8.4795 118.8998 58.5624 31.4074 178.3462 171 A 4.1390 8.2115 120.8313 55.8601 18.4991 179.7740 172 T 3.8938 8.0967 114.0064 67.0379 68.4460 176.2913 173 Y 4.0767 8.3947 121.4781 60.5157 38.7765 177.4929 174 L 3.9022 8.4195 120.2159 58.1872 41.6151 179.3083 175 N 4.3243 8.2564 114.9148 56.5377 38.6473 176.7991 176 D 4.4379 8.0194 118.5062 56.0932 41.3343 177.5962 177 H 4.5329 7.9165 113.6555 55.1272 30.6907 174.6311 178 L 4.2908 7.2202 119.0933 55.1722 44.4529 178.1587 179 E 4.0209 8.4703 119.3767 58.7061 29.4126 177.1588 180 P 4.2163 0.0000 0.0000 65.2412 31.3339 178.3338 181 W 3.9274 8.0317 126.6978 60.4463 30.6887 177.7349 182 I 3.4169 8.0184 119.7937 64.4096 36.4945 178.4899 183 Q 3.8534 7.8873 118.1492 59.1235 28.5320 178.3314 184 E 3.9335 7.6906 117.9097 58.5337 29.4668 177.7159 185 N 4.5438 7.1430 114.9268 52.6437 39.4592 175.1954 186 G 3.9851 7.3098 104.7875 45.6515 0.0000 175.6380 187 G 4.0726 8.6519 111.0579 44.4322 0.0000 174.6803 188 W 4.3689 8.6879 116.6977 58.7272 28.8924 178.3883 189 D 4.4769 8.2301 119.5870 57.6490 40.3003 178.4784 190 T 3.8690 7.8068 116.2978 66.2400 68.2931 176.4626 191 F 3.2717 7.7017 122.2130 61.0678 39.1972 177.2455 192 V 3.2712 7.5576 117.6013 65.7057 31.0846 177.4755 193 E 3.7883 7.8669 118.0479 59.4008 29.5560 178.6064 194 L 3.8215 7.4130 117.6095 56.9946 41.5328 177.5909 195 Y 4.8349 7.5761 114.6338 57.4937 39.6570 175.4367 196 G 3.6526 8.1387 115.1883 45.6984 0.0000 173.5874 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 S 8.33 4.46 0.00 3.90 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 3 Q 7.69 4.31 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 4 S 8.62 4.14 0.00 3.91 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 5 N 8.19 4.43 0.00 2.92 3.01 0.00 0.00 6.72 7.66 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 6 R 8.03 4.00 0.00 1.93 1.96 0.00 3.24 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 7 E 8.34 3.93 0.00 2.30 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 2.31 2.48 0.00 8 L 7.96 3.88 0.00 1.94 1.82 -0.01 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.93 3.83 2.30 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 1.17 0.00 0.00 1.06 0.00 0.00 10 V 7.78 2.74 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 0.25 0.00 0.00 0.81 0.00 0.00 11 D 8.07 4.15 0.00 2.79 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 12 F 8.38 4.01 0.00 3.24 3.39 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 13 L 8.48 4.17 0.00 1.66 1.99 1.12 1.03 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 14 S 8.18 4.34 0.00 3.78 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 15 Y 7.98 4.17 0.00 2.98 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 16 K 7.91 3.88 0.00 1.82 1.89 0.00 1.20 0.00 0.00 0.82 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.48 7.81 17 L 8.37 4.31 0.00 2.01 2.20 1.32 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.24 4.36 0.00 4.10 3.99 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 0.00 0.00 0.00 19 Q 7.77 3.92 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 20 K 7.85 4.37 0.00 1.67 1.59 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.62 7.81 21 G 7.90 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 22 Y 7.51 5.09 0.00 3.32 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 23 S 8.25 4.82 0.00 3.70 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 24 W 9.35 4.54 0.00 3.54 3.16 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 25 S 8.02 4.14 0.00 3.99 4.06 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 26 Q 7.31 3.74 0.00 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 27 F 6.98 4.80 0.00 2.61 2.69 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 0.00 0.00 0.00 0.00 28 S 7.06 4.46 0.00 2.72 3.46 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 29 D 8.16 4.69 0.00 2.66 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 *83 S 7.69 4.21 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 84 E 8.68 3.95 0.00 2.00 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 2.38 2.30 0.00 85 A 7.96 3.97 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 86 V 7.69 3.64 2.13 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 0.79 0.00 0.00 1.14 0.00 0.00 87 K 7.86 3.75 0.00 1.93 1.88 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 88 Q 8.35 3.86 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 89 A 8.08 4.09 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 90 L 8.15 4.18 0.00 1.75 1.72 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.09 3.99 0.00 1.82 1.30 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.68 0.00 92 E 8.33 4.06 0.00 2.09 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 2.35 2.39 0.00 93 A 8.57 4.31 1.68 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 0.00 0.00 94 G 8.84 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 0.00 0.00 0.00 95 D 8.56 4.54 0.00 3.04 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 96 E 8.42 3.99 0.00 2.39 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 0.00 2.40 2.57 0.00 97 F 8.74 4.35 0.00 3.28 3.52 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 98 E 8.55 4.15 0.00 2.16 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 2.91 2.91 0.00 99 L 7.72 4.01 0.00 1.63 1.83 0.87 0.97 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 0.00 100 R 7.91 3.84 0.00 1.80 1.82 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.36 0.00 101 Y 7.86 4.56 0.00 2.19 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 0.00 102 R 7.87 3.95 0.00 1.94 2.32 0.00 2.90 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 103 R 7.91 3.83 0.00 1.87 1.99 0.00 3.38 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 104 A 8.18 4.12 1.46 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 0.00 105 F 8.56 4.00 0.00 3.40 3.22 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 0.00 106 S 8.27 4.75 0.00 4.24 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 0.00 107 D 8.74 4.38 0.00 2.91 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 0.00 108 L 7.99 3.98 0.00 1.88 1.81 0.84 0.81 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 0.00 109 T 7.86 3.95 4.32 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 1.19 0.00 0.00 110 S 8.07 4.28 0.00 4.10 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 0.00 111 Q 7.50 4.36 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 112 L 7.59 4.28 0.00 1.79 1.65 0.94 1.02 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 0.00 113 H 8.42 4.75 0.00 3.06 3.24 0.00 5.93 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 0.00 114 I 7.80 3.86 1.86 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 1.49 0.92 0.89 0.00 0.00 115 T 7.97 4.74 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 1.08 0.00 0.00 116 P 0.00 4.32 0.00 2.08 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 117 G 8.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.70 4.46 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 0.00 119 A 7.86 4.07 1.68 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 0.00 0.00 120 Y 7.83 2.97 0.00 1.86 2.68 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 0.00 121 Q 7.84 3.63 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 122 S 8.12 4.01 0.00 4.13 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 0.00 123 F 8.48 4.18 0.00 3.26 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 0.00 124 E 8.54 3.80 0.00 1.33 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 2.30 2.48 0.00 125 Q 7.77 3.80 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 126 V 7.32 3.27 1.46 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 -0.41 0.00 0.00 0.73 0.00 0.00 127 V 7.03 3.13 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 0.09 0.00 0.00 0.31 0.00 0.00 128 N 7.93 4.23 0.00 2.88 2.91 0.00 0.00 7.20 7.30 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 0.00 129 E 7.68 3.93 0.00 2.05 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 0.00 2.17 2.21 0.00 130 L 7.58 3.65 0.00 1.19 1.17 0.46 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.48 4.94 0.00 3.12 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 0.00 132 R 7.62 3.93 0.00 1.94 1.91 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 133 D 7.78 4.88 0.00 2.75 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 0.00 134 G 7.91 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 0.00 135 V 7.73 4.03 0.75 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 -0.77 0.00 0.00 0.43 0.00 0.00 136 N 7.69 4.77 0.00 3.07 2.89 0.00 0.00 6.27 8.88 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 0.00 137 W 8.86 4.43 0.00 3.65 3.43 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 0.00 138 G 8.30 3.66 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 0.00 0.00 0.00 139 R 8.68 3.68 0.00 1.92 1.61 0.00 3.06 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.00 140 I 7.67 3.99 2.18 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 1.37 0.00 0.00 141 V 8.02 3.64 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 1.09 0.00 0.00 1.17 0.00 0.00 142 A 7.67 2.96 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 0.00 143 F 8.07 4.06 0.00 3.19 3.43 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 0.00 144 F 8.18 3.50 0.00 2.78 1.45 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 0.00 145 S 8.31 4.69 0.00 4.25 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 0.00 146 F 8.78 4.28 0.00 2.95 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 0.00 147 G 7.94 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.60 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 0.00 0.00 0.00 149 A 8.19 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.79 3.75 0.00 1.38 1.56 0.86 1.14 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 0.00 151 C 7.97 4.01 0.00 3.21 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 0.00 152 V 7.99 3.66 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 1.24 0.00 0.00 1.15 0.00 0.00 153 E 8.70 3.95 0.00 2.15 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 0.00 2.32 2.40 0.00 154 S 8.04 4.01 0.00 3.89 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 0.00 155 V 7.44 3.21 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 -0.15 0.00 0.00 0.01 0.00 0.00 156 D 7.96 4.52 0.00 2.98 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 0.00 157 K 7.83 4.40 0.00 1.68 1.81 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.62 7.81 158 E 7.95 3.77 0.00 2.13 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 2.22 2.41 0.00 159 M 7.99 4.63 0.00 1.93 1.99 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 2.62 2.43 0.00 160 Q 7.69 3.70 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 161 V 7.65 3.64 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 0.84 0.00 0.00 0.86 0.00 0.00 162 L 7.62 4.01 0.00 1.59 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.36 3.38 1.77 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 1.00 0.00 0.00 0.37 0.00 0.00 164 S 7.68 3.99 0.00 3.94 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 0.00 165 R 6.96 3.19 0.00 1.39 0.66 0.00 2.99 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 1.33 1.50 0.00 166 I 7.33 3.27 1.91 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 1.56 0.60 0.89 0.00 0.00 167 A 8.04 4.02 1.58 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 0.00 168 A 7.70 3.97 1.22 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 0.00 0.00 169 W 7.70 4.36 0.00 2.66 2.65 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 0.00 170 M 8.48 4.62 0.00 2.07 2.39 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.27 0.00 171 A 8.21 4.14 1.46 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 0.00 172 T 8.10 3.89 4.65 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 1.38 0.00 0.00 173 Y 8.39 4.08 0.00 3.55 3.37 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 0.00 174 L 8.42 3.90 0.00 2.10 1.85 1.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.26 4.32 0.00 2.83 2.89 0.00 0.00 7.17 8.91 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 0.00 176 D 8.02 4.44 0.00 2.41 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 0.00 0.00 0.00 177 H 7.92 4.53 0.00 1.54 2.49 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.22 4.29 0.00 1.62 1.50 -0.03 0.32 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 0.00 179 E 8.47 4.02 0.00 2.23 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 2.35 2.43 0.00 180 P 0.00 4.22 0.00 2.16 2.04 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 181 W 8.03 3.93 0.00 3.20 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 0.00 182 I 8.02 3.42 2.04 0.00 0.00 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 1.22 0.53 0.84 0.00 0.00 183 Q 7.89 3.85 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 184 E 7.69 3.93 0.00 1.85 1.70 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 2.24 2.30 0.00 185 N 7.14 4.54 0.00 1.44 1.87 0.00 0.00 7.22 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 0.00 186 G 7.31 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.65 4.07 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 0.00 0.00 0.00 188 W 8.69 4.37 0.00 3.52 3.33 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 0.00 189 D 8.23 4.48 0.00 2.76 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 0.00 190 T 7.81 3.87 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 1.28 0.00 0.00 191 F 7.70 3.27 0.00 1.51 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 0.00 192 V 7.56 3.27 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 0.98 0.00 0.00 1.20 0.00 0.00 193 E 7.87 3.79 0.00 1.94 2.08 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 2.19 2.28 0.00 194 L 7.41 3.82 0.00 0.97 0.13 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.58 4.83 0.00 2.15 2.61 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 0.00 196 G 8.14 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 * Residues marked with a * may have inaccurate shift predictions.