NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 97 S 4.4721 8.1927 115.2993 58.2056 63.9430 173.4598 98 Y 4.0507 8.5800 119.6442 60.4625 38.4218 176.6241 99 D 4.2331 8.0811 119.8550 57.6589 41.4877 178.0815 100 T 3.9805 7.9890 109.6054 65.1109 68.4059 176.2376 101 V 3.5627 7.5907 121.0184 65.7913 31.5881 177.7725 102 M 3.9443 7.8616 117.9309 58.5693 32.0446 177.6263 103 D 4.6207 8.5960 120.7327 56.9884 41.0720 178.9563 104 K 3.8649 8.0151 118.5704 59.7037 31.9391 178.6564 105 Y 3.8000 7.5357 119.5475 60.4974 38.6097 178.3871 106 W 3.3017 7.3707 119.5533 59.2091 28.8737 178.4818 107 L 3.9271 7.8335 119.3814 57.7943 41.0132 179.4682 108 S 3.9642 8.1143 113.1774 61.5526 62.2705 176.0671 109 Q 3.6950 7.6230 120.7603 59.0135 28.3020 178.4666 110 Y 3.8178 8.4840 121.1607 60.7971 38.8310 178.4046 111 V 3.3898 8.0608 119.3392 65.7613 31.6738 178.0132 112 I 3.5019 7.7606 119.4106 64.2323 36.7731 178.0652 113 A 3.8352 7.5770 120.1344 55.3572 18.2666 179.4345 114 R 3.6750 7.4454 115.8113 58.7946 30.1590 177.6121 115 E 4.3895 7.9664 115.9602 56.2104 30.2898 176.4765 116 T 4.5275 7.0085 115.5852 63.5190 70.0430 174.4624 117 Y 4.5349 8.8388 124.9235 56.2075 40.8317 173.3758 118 D 4.6317 7.9396 126.0590 52.5163 43.5625 175.9569 119 W 4.4042 8.5475 135.0000 60.8091 31.1732 177.2141 120 Y 4.1598 8.3400 111.7276 59.1552 37.1893 176.3786 121 T 4.5291 9.2776 115.6923 62.0989 71.1212 175.6236 122 L 3.7600 7.5191 123.9349 58.0814 41.8633 178.5001 123 Q 3.6929 7.6408 118.7088 59.0096 28.9815 178.0554 124 K 3.8564 7.8322 119.9009 59.6600 32.2419 178.1907 125 D 4.2397 8.2191 119.3116 57.4014 40.7499 178.0072 126 Y 4.0523 8.4412 120.2236 60.9771 38.8166 178.1671 127 E 3.9770 8.4312 119.3183 59.6559 29.3264 179.4954 128 T 3.7782 7.7318 114.7522 66.5552 68.9593 176.3742 129 V 3.4408 7.7215 120.4374 65.7815 31.4984 178.0651 130 G 3.5172 7.6575 105.4101 47.9689 0.0000 175.0338 131 M 4.3590 8.2371 116.8945 55.8236 31.4693 176.3703 132 L 4.7085 7.8443 118.5687 54.2959 43.7463 175.9471 133 S 5.0595 7.7084 112.4650 55.6479 66.0408 174.1194 134 S 4.2537 8.3400 116.1974 57.5593 63.7293 173.4536 135 P 4.2058 0.0000 0.0000 66.0167 30.9884 178.7027 136 S 4.1182 8.0485 111.9873 61.7733 62.9615 176.0449 137 E 4.1922 7.2970 123.5309 57.9514 29.1760 179.6966 138 G 3.6150 8.3649 105.8228 47.8370 0.0000 175.4790 139 Q 4.0653 8.1990 120.8951 58.9539 28.4419 179.2757 140 S 4.1483 8.1605 114.9741 61.8555 62.7230 175.8515 141 Y 4.1081 8.0362 122.5616 60.5346 38.6864 177.4588 142 A 4.2165 8.7065 122.3513 55.1561 18.5364 179.3822 143 S 4.2441 8.4656 113.5119 61.7548 62.6470 176.2672 144 Q 4.1108 8.1344 119.3282 57.0607 28.5429 176.7947 145 F 4.7520 8.5365 118.2862 57.3050 40.4165 175.2177 146 Q 4.3999 7.4064 120.1183 55.3069 29.6595 174.7726 147 G 3.7626 8.7463 107.5707 44.9448 0.0000 172.9074 148 D 4.6159 8.5813 118.8814 55.0878 41.1761 178.1824 149 K 4.3465 7.7446 119.3187 53.6703 32.5210 181.5437 150 A 4.2566 7.7652 122.3276 53.6460 19.0703 178.5925 151 L 3.9845 8.5197 123.4131 58.0973 41.9097 180.0035 152 D 5.6661 8.2557 119.0069 55.4472 38.9897 178.3089 153 K 4.1924 8.1104 119.9582 58.9725 32.5776 178.7118 154 Q 3.9170 7.7816 116.5684 59.2109 29.0543 177.9747 155 Y 4.2334 8.1967 117.6675 60.8345 38.3119 176.2597 156 G 3.0682 7.9017 107.9840 46.9707 0.0000 173.7397 157 S 4.8367 8.0422 113.5213 58.9702 62.6554 174.5531 158 N 5.1667 8.4020 117.8910 52.1511 41.3728 175.0315 159 V 4.8180 8.1375 117.5044 60.9702 33.9928 174.9771 160 R 4.9993 8.7573 126.9934 54.9440 33.5164 174.3043 161 T 5.1554 8.9113 122.3125 61.8514 71.2085 173.2631 162 S 4.8338 8.9993 122.0165 57.5354 65.1489 173.3360 163 V 4.9421 8.2977 120.9166 61.6412 33.9658 175.0220 164 T 4.6559 9.0751 123.1109 61.7263 71.7442 173.3590 165 I 4.2570 8.5916 127.9980 61.6785 37.5272 175.5832 166 V 4.3898 9.3399 126.7089 64.2512 32.9647 175.7677 167 S 4.8294 7.7630 112.7736 57.2438 66.4704 172.7665 168 I 5.0207 8.2573 120.9985 59.9744 40.6069 175.4974 169 V 4.3487 9.1734 127.9585 60.0434 31.9929 172.9133 170 P 4.8293 0.0000 0.0000 61.7688 32.4857 175.4901 171 N 4.9285 8.6945 118.2598 52.1119 37.5616 177.3907 172 G 4.0050 8.5006 106.0504 47.1861 0.0000 175.0008 173 K 4.4135 8.7401 118.1197 56.1241 32.4841 177.3720 174 G 3.5449 8.3622 109.3674 44.5830 0.0000 173.3938 175 I 4.9693 7.8592 120.8537 59.5246 39.8924 175.0640 176 G 4.6204 9.6794 112.5665 44.8766 0.0000 171.2941 177 T 5.2768 8.5764 119.2534 61.4705 71.5429 173.3201 178 V 4.9084 9.1061 126.6149 61.2308 34.5767 174.1434 179 R 5.2988 9.3844 127.9135 54.7922 32.0589 175.5130 180 F 5.5614 8.9812 117.6471 55.5638 42.0970 172.8777 181 A 5.1464 9.5948 121.8554 50.1063 21.9633 175.4850 182 K 5.0440 9.5005 123.0268 55.0851 34.9901 174.8806 183 T 5.1178 9.0448 124.9911 62.2793 71.1199 173.3557 184 T 5.1787 9.1284 124.3550 61.9283 71.2227 174.0498 185 K 4.9897 9.0319 126.0268 54.5185 36.4461 174.7102 186 R 4.9736 8.3096 118.3333 54.6011 33.1830 177.6165 187 T 4.2405 9.4841 123.0609 63.7978 65.2170 175.1192 *192 D 4.4162 8.0756 120.2649 52.6118 43.3766 177.2498 193 G 3.9247 8.0297 107.6504 44.7344 0.0000 171.8445 194 E 4.7292 8.4809 117.5078 54.9431 31.6462 175.7294 195 T 5.1918 8.5417 120.2151 62.1304 71.1310 173.6217 196 T 4.6113 9.3093 122.6304 61.9776 72.3871 172.6087 197 H 5.0385 8.0414 120.6385 53.8485 31.5931 173.5103 198 W 4.7865 8.7824 122.1101 54.7415 33.8979 174.6474 199 I 5.0346 8.7858 120.4945 60.0482 40.3439 174.2865 200 A 5.2006 9.5110 130.3054 50.7216 21.4723 175.4901 201 T 4.9154 9.0725 119.8650 62.1674 70.6235 173.7202 202 I 5.0860 9.4276 128.9159 59.4388 40.2968 174.9395 203 G 4.9514 9.6307 114.8585 44.2421 0.0000 172.2497 204 Y 5.3056 8.4908 123.6320 55.7258 41.8588 173.7363 205 Q 4.4861 8.5206 117.3748 55.5549 32.8836 172.9163 206 Y 4.9078 8.4702 115.9587 55.8581 40.2034 175.2955 207 V 3.7652 8.7711 126.0072 62.1935 33.1973 173.9300 208 N 4.2736 8.9438 126.1725 52.9985 38.5551 172.8810 209 P 4.2161 0.0000 0.0000 65.7423 31.5605 178.6313 210 S 4.2171 8.2161 111.1650 60.3175 62.2775 174.1156 211 L 4.5698 7.9111 119.6029 55.1133 41.2824 175.9734 212 M 4.8690 7.5736 115.4726 52.9629 34.5678 175.0360 213 S 4.2649 8.4181 114.1750 58.2896 64.0181 174.8201 214 E 3.9207 9.0027 122.4291 59.8048 29.1955 179.4087 215 S 4.1174 8.1366 113.2870 61.4553 62.8218 175.9632 216 A 4.1157 7.8871 123.1987 54.1516 18.2615 178.9731 217 R 4.2083 8.0262 115.8481 57.4201 30.2608 177.7036 218 L 4.5079 7.3877 117.3184 55.8001 41.8005 177.2121 219 T 4.6607 7.5493 112.7655 63.5502 71.5872 174.2457 220 N 4.7296 7.8252 119.4467 51.1138 39.5748 172.5128 221 P 4.3059 0.0000 0.0000 65.5169 32.0199 177.8556 222 L 4.4111 7.7332 114.1853 54.0947 42.3349 176.2230 223 G 3.9412 7.8866 106.8209 46.5357 0.0000 173.5404 224 F 3.8912 8.6617 122.7827 57.7847 40.2565 174.1067 225 N 4.6863 7.6390 123.8481 51.9512 42.6666 172.8991 226 V 4.1202 8.0844 127.0206 62.1431 32.1514 176.1976 227 T 4.3320 9.0297 119.5398 62.9719 70.3949 175.5752 228 S 5.4461 7.7584 115.5566 55.8169 66.6711 172.4863 229 Y 5.1345 8.9516 123.7822 55.8786 41.3325 174.2063 230 R 4.5331 8.6347 126.6261 54.4451 33.7086 173.9487 231 V 4.7222 8.4733 125.3916 61.4750 33.6479 173.7588 232 D 5.2377 8.8630 128.2318 51.7755 43.6819 175.0782 233 P 4.2551 0.0000 0.0000 62.1858 32.4797 176.9785 234 E 4.1624 7.3519 121.6721 55.9498 27.9359 177.2921 *235 M 4.2815 7.7242 119.7014 54.6546 32.1348 176.9153 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 97 S 8.19 4.47 0.00 3.92 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 98 Y 8.58 4.05 0.00 3.08 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 99 D 8.08 4.23 0.00 2.77 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 0.00 100 T 7.99 3.98 4.29 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 1.27 0.00 0.00 101 V 7.59 3.56 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 0.93 0.00 0.00 0.95 0.00 0.00 102 M 7.86 3.94 0.00 2.20 1.71 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.67 0.00 103 D 8.60 4.62 0.00 3.03 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 0.00 104 K 8.02 3.86 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.75 7.81 105 Y 7.54 3.80 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 7.37 3.30 0.00 2.27 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.83 3.93 0.00 1.74 1.71 0.81 0.55 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 0.00 108 S 8.11 3.96 0.00 3.80 3.79 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 0.00 109 Q 7.62 3.69 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 110 Y 8.48 3.82 0.00 3.23 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 0.00 111 V 8.06 3.39 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 0.33 0.00 0.00 1.13 0.00 0.00 112 I 7.76 3.50 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.83 0.00 0.00 113 A 7.58 3.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.45 3.67 0.00 0.85 1.41 0.00 2.42 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 115 E 7.97 4.39 0.00 1.86 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 2.14 1.93 0.00 116 T 7.01 4.53 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 0.00 117 Y 8.84 4.53 0.00 3.07 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.94 4.63 0.00 2.68 2.43 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 0.00 119 W 8.55 4.40 0.00 3.53 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 0.00 120 Y 8.34 4.16 0.00 3.07 2.99 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 0.00 121 T 9.28 4.53 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 122 L 7.52 3.76 0.00 1.43 1.35 0.69 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.64 3.69 0.00 1.89 1.92 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 2.25 0.00 124 K 7.83 3.86 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 125 D 8.22 4.24 0.00 2.69 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 0.00 126 Y 8.44 4.05 0.00 3.01 3.02 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 0.00 127 E 8.43 3.98 0.00 2.18 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 2.38 2.57 0.00 128 T 7.73 3.78 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 129 V 7.72 3.44 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 0.11 0.00 0.00 0.08 0.00 0.00 130 G 7.66 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 0.00 0.00 0.00 131 M 8.24 4.36 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 132 L 7.84 4.71 0.00 1.97 1.89 1.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.71 5.06 0.00 3.93 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 0.00 134 S 8.34 4.25 0.00 3.98 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 0.00 135 P 0.00 4.21 0.00 2.16 2.16 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 136 S 8.05 4.12 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.30 4.19 0.00 2.25 2.09 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 2.45 2.46 0.00 138 G 8.36 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 0.00 139 Q 8.20 4.07 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 140 S 8.16 4.15 0.00 4.14 4.20 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 0.00 141 Y 8.04 4.11 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.71 4.22 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 0.00 143 S 8.47 4.24 0.00 4.06 4.36 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 0.00 144 Q 8.13 4.11 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.49 1.65 0.00 145 F 8.54 4.75 0.00 3.12 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 0.00 146 Q 7.41 4.40 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 147 G 8.75 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 0.00 148 D 8.58 4.62 0.00 2.65 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 K 7.74 4.35 0.00 1.76 1.68 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.98 7.81 150 A 7.77 4.26 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.52 3.98 0.00 0.89 1.26 0.54 1.05 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 0.00 152 D 8.26 5.67 0.00 3.64 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 0.00 153 K 8.11 4.19 0.00 1.87 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.60 7.81 154 Q 7.78 3.92 0.00 1.63 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 155 Y 8.20 4.23 0.00 3.01 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 0.00 156 G 7.90 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 0.00 0.00 0.00 157 S 8.04 4.84 0.00 3.78 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 0.00 158 N 8.40 5.17 0.00 2.90 2.85 0.00 0.00 6.41 7.25 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 0.00 159 V 8.14 4.82 2.53 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 1.00 0.00 0.00 1.24 0.00 0.00 160 R 8.76 5.00 0.00 1.97 1.78 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 161 T 8.91 5.16 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 1.32 0.00 0.00 162 S 9.00 4.83 0.00 3.94 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 0.00 163 V 8.30 4.94 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 0.93 0.00 0.00 164 T 9.08 4.66 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 165 I 8.59 4.26 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.96 0.00 0.00 166 V 9.34 4.39 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 0.82 0.00 0.00 1.09 0.00 0.00 167 S 7.76 4.83 0.00 3.93 3.92 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 0.00 168 I 8.26 5.02 1.90 0.00 0.00 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 1.28 0.71 0.94 0.00 0.00 169 V 9.17 4.35 2.14 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 1.03 0.00 0.00 0.98 0.00 0.00 170 P 0.00 4.83 0.00 2.10 2.18 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 171 N 8.69 4.93 0.00 2.83 3.03 0.00 0.00 7.08 8.28 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 0.00 172 G 8.50 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 0.00 173 K 8.74 4.41 0.00 1.70 1.77 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.35 7.81 174 G 8.36 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.86 4.97 1.89 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 1.15 1.43 0.97 0.00 0.00 176 G 9.68 4.62 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 0.00 177 T 8.58 5.28 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 1.28 0.00 0.00 178 V 9.11 4.91 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 1.18 0.00 0.00 1.03 0.00 0.00 179 R 9.38 5.30 0.00 1.83 1.87 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 180 F 8.98 5.56 0.00 3.35 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 0.00 181 A 9.59 5.15 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 0.00 182 K 9.50 5.04 0.00 2.16 1.94 0.00 1.47 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.62 7.81 183 T 9.04 5.12 4.30 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 1.25 0.00 0.00 184 T 9.13 5.18 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 1.29 0.00 0.00 185 K 9.03 4.99 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 186 R 8.31 4.97 0.00 1.67 1.84 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 187 T 9.48 4.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *192 D 8.08 4.42 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 G 8.03 3.92 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 0.00 194 E 8.48 4.73 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 195 T 8.54 5.19 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 1.15 0.00 0.00 196 T 9.31 4.61 4.79 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 0.65 0.00 0.00 197 H 8.04 5.04 0.00 2.83 3.00 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 W 8.78 4.79 0.00 1.78 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 0.00 199 I 8.79 5.03 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.97 0.00 0.00 200 A 9.51 5.20 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 0.00 201 T 9.07 4.92 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 202 I 9.43 5.09 2.09 0.00 0.00 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 1.52 0.82 1.08 0.00 0.00 203 G 9.63 4.95 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 0.00 204 Y 8.49 5.31 0.00 2.28 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 0.00 205 Q 8.52 4.49 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 206 Y 8.47 4.91 0.00 2.95 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 0.00 207 V 8.77 3.77 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 0.85 0.00 0.00 0.86 0.00 0.00 208 N 8.94 4.27 0.00 2.76 2.75 0.00 0.00 7.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 P 0.00 4.22 0.00 2.23 2.29 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 210 S 8.22 4.22 0.00 3.84 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 0.00 211 L 7.91 4.57 0.00 1.82 1.64 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 212 M 7.57 4.87 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 213 S 8.42 4.26 0.00 4.02 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 0.00 214 E 9.00 3.92 0.00 2.06 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 2.39 2.39 0.00 215 S 8.14 4.12 0.00 4.09 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 0.00 216 A 7.89 4.12 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 0.00 217 R 8.03 4.21 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 218 L 7.39 4.51 0.00 1.77 1.74 0.94 1.27 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 0.00 219 T 7.55 4.66 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 1.25 0.00 0.00 220 N 7.83 4.73 0.00 2.60 2.54 0.00 0.00 7.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 P 0.00 4.31 0.00 2.22 2.22 0.00 3.80 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 2.25 2.51 0.00 222 L 7.73 4.41 0.00 1.69 1.99 1.17 1.00 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 0.00 223 G 7.89 3.94 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 0.00 0.00 0.00 224 F 8.66 3.89 0.00 1.95 2.45 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 0.00 225 N 7.64 4.69 0.00 2.58 2.27 0.00 0.00 6.51 7.10 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 0.00 226 V 8.08 4.12 1.49 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 0.71 0.00 0.00 -0.46 0.00 0.00 227 T 9.03 4.33 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 1.08 0.00 0.00 228 S 7.76 5.45 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 0.00 229 Y 8.95 5.13 0.00 2.97 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 0.00 230 R 8.63 4.53 0.00 1.89 1.67 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 231 V 8.47 4.72 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 0.96 0.00 0.00 0.68 0.00 0.00 232 D 8.86 5.24 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 P 0.00 4.26 0.00 1.69 1.21 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.41 0.00 234 E 7.35 4.16 0.00 1.79 1.78 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 2.15 2.27 0.00 *235 M 7.72 4.28 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.