NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 R 4.2338 8.2549 120.8600 56.1563 30.8983 177.3310 59 Q 4.1389 8.9658 117.9390 55.0256 31.7947 168.9916 60 R 3.9404 9.2830 125.8162 57.5295 32.6775 173.8375 61 R 3.9863 9.0415 124.1514 54.6285 26.9934 175.6347 62 I 3.3069 8.3636 116.4584 62.3262 37.7780 173.5320 63 L 3.2455 7.4538 119.8812 57.5029 39.0123 174.5357 64 K 4.0284 8.4192 128.4750 56.9675 30.0671 176.3063 65 Q 3.8885 8.4494 124.8239 58.7571 29.3563 178.2619 66 R 4.1784 7.8078 114.9385 57.6816 30.5375 176.7917 67 L 4.2034 7.2737 119.2998 57.4510 42.2599 177.0555 68 K 4.5914 7.8642 114.7698 56.1420 35.6560 176.4419 69 V 4.2540 7.6999 116.7135 60.6516 31.4849 174.2418 70 P 4.3785 0.0000 0.0000 62.5827 31.6957 174.3049 71 P 4.4747 0.0000 0.0000 63.0945 31.8316 176.7136 72 A 4.4338 7.3501 119.8666 51.8699 22.7904 176.1940 73 L 5.1222 6.9479 124.6124 55.0287 44.5668 172.4368 74 N 4.8694 8.4575 123.3403 54.6843 40.4421 175.5731 75 Q 4.1338 8.2452 116.8100 58.8767 29.1832 178.0115 76 F 4.5577 8.3423 119.9247 59.3779 39.6432 177.5824 77 T 3.3053 7.5182 109.3712 64.8580 68.5931 176.5423 78 R 3.9730 7.7720 120.8509 58.9931 30.0608 178.9616 79 T 3.8039 7.0247 115.9023 66.3284 68.3724 176.4292 80 L 4.0378 7.1201 122.1010 58.3419 42.1769 178.6022 81 D 4.3620 7.7828 118.7852 57.2143 40.4639 178.9988 82 K 3.9317 8.0574 118.8185 60.0505 32.5261 178.5073 83 N 4.4510 7.5565 115.8322 56.2210 39.2093 176.4241 84 L 4.1139 7.9736 121.5989 58.7728 42.5763 175.6285 85 A 4.5880 8.6010 131.2987 53.4167 18.4161 173.0738 86 T 3.8251 8.3574 102.9175 61.7922 66.5797 172.5424 87 N 4.8520 8.5413 111.0279 54.1049 45.5025 173.8570 88 L 4.1124 7.8957 117.0002 53.5311 45.4056 174.3356 89 F 4.8033 8.4114 121.5047 57.1035 39.5685 176.6390 90 K 3.6329 9.0241 122.4706 58.7302 32.9777 173.3949 91 M 4.7422 8.0310 112.7567 55.3510 35.9325 174.2491 92 L 4.6712 7.7957 121.4353 53.1503 44.1364 174.7436 93 L 4.4664 7.9950 125.4254 54.5249 45.2553 171.3074 94 K 4.1925 8.4677 124.2536 54.9250 28.1388 175.3851 95 Y 4.2647 8.1493 128.4586 56.9807 39.9351 175.0392 96 R 4.0015 7.7397 122.4192 54.9959 31.2192 172.9164 97 P 4.0256 0.0000 0.0000 68.0587 31.3134 177.7549 98 E 3.8570 7.4042 114.6153 57.7895 28.9416 178.1654 99 D 4.3435 7.5916 122.2703 56.5322 39.1581 178.4709 100 K 4.2985 8.0105 115.5806 56.0278 32.7088 178.1009 101 A 4.2054 7.8791 122.2795 54.9535 18.8535 179.6920 102 A 4.2619 7.8707 120.6432 54.7763 18.4376 179.9481 103 K 3.9292 8.0219 116.8537 59.4164 31.6968 179.4988 104 K 3.9097 7.9561 119.3637 59.4848 32.0093 178.5264 105 E 3.8641 8.5565 119.2900 59.5072 29.4345 179.3760 106 R 3.9758 8.4217 119.0831 59.0489 29.8835 177.3198 107 L 4.6905 7.8520 116.9157 55.0373 42.7427 177.1671 108 L 4.6368 7.3338 121.8042 56.4569 44.3958 178.3200 109 K 4.1446 8.4619 119.4223 59.0546 32.0785 178.1451 110 R 4.5086 7.9723 115.2837 56.6546 29.7489 176.8494 111 A 4.6619 8.1104 119.6747 51.9250 20.2297 178.1165 112 Q 4.1803 8.1459 114.6293 57.4625 30.1583 176.6039 113 A 4.6563 7.9270 121.6405 51.7872 17.8104 176.7702 114 E 4.4783 7.6577 116.2709 55.3303 31.3109 176.7121 115 A 3.9840 7.8274 124.1756 53.5291 17.9620 177.7433 *116 E 4.7005 9.5173 121.8646 55.8581 32.1333 171.3771 117 G 3.0020 9.1136 99.5119 46.4662 0.0000 173.7142 *118 K 3.9091 7.9844 129.4278 55.4921 32.7643 178.5057 *119 T 4.0557 8.6465 111.3580 65.6655 68.4505 175.8898 *120 V 3.7782 7.7617 120.8131 61.4442 32.0870 179.4054 *121 E 4.4225 8.4732 120.5013 54.7106 28.9548 174.7028 122 A 3.9658 8.4980 132.2103 53.4186 17.5994 180.1054 *123 K 4.5992 8.7683 115.6399 51.3358 36.2432 178.4597 124 K 4.3181 8.7118 123.9431 54.2473 32.6080 174.7460 125 P 4.7055 0.0000 0.0000 61.9265 33.2765 172.8563 126 I 3.6198 7.7717 117.9251 60.7122 39.3213 173.1334 127 V 4.5179 8.0223 121.3711 61.2870 35.1109 173.8216 128 V 4.8824 8.5599 126.5359 61.0261 34.1179 174.5207 129 K 4.6501 8.9253 126.5013 54.6598 35.1779 174.9330 130 Y 4.9408 7.7465 122.3053 55.9309 41.1327 175.1907 131 G 4.0604 8.8754 108.9934 46.1295 0.0000 174.1329 132 L 3.9382 8.7830 124.8843 59.3065 40.0986 179.5220 133 N 4.0234 7.8482 117.2456 55.9224 38.4538 177.0170 134 H 4.3245 7.0647 116.9822 58.7279 28.6746 177.9203 135 V 3.6068 7.6930 119.7172 66.2088 31.3480 178.1273 136 T 3.8883 8.1302 115.7380 67.1568 68.3862 176.2913 137 Y 4.4582 8.2527 118.5549 61.0290 37.8888 178.1394 138 L 4.4283 8.4049 119.3510 56.7355 41.7678 179.5218 139 I 3.7450 7.6067 120.5785 64.4701 36.9421 178.1469 140 E 3.9938 8.2654 118.0619 59.1955 29.4182 177.6395 141 Q 4.2721 8.6970 118.0751 54.9530 29.2988 175.2388 142 S 3.8284 7.8555 110.0406 59.3359 61.8494 173.0249 143 K 4.5379 7.6202 112.7732 57.4189 34.5853 175.7481 144 A 4.3724 8.0230 123.4870 53.0294 18.5489 177.6369 145 Q 4.5821 9.2828 123.2434 55.2150 30.5587 175.1550 146 L 5.2993 7.2140 125.9572 55.9105 45.2018 172.8535 147 V 4.9671 8.1443 119.6284 59.7855 35.0244 174.8532 148 V 4.9754 9.0953 121.9244 61.3000 34.9223 174.2331 149 I 4.9273 9.0051 127.3769 59.4216 40.1848 174.5548 150 A 4.7719 8.7830 128.6740 51.7225 19.0785 177.4236 151 H 4.1822 9.2287 119.9700 58.9077 29.3497 176.7783 152 D 4.7621 7.7045 118.5617 53.7878 38.3027 174.4984 153 V 4.3811 7.7009 118.2864 60.5499 34.4811 173.9316 154 D 4.9977 8.3775 125.7492 51.4074 44.1672 172.8839 155 P 4.1620 0.0000 0.0000 62.7683 32.1015 177.3502 156 I 3.8179 8.5211 123.4642 64.3765 36.7101 178.3701 157 E 3.9066 8.3795 119.0902 59.8292 28.9697 179.3452 158 L 4.2147 7.4262 117.8650 56.9247 41.6545 178.8604 159 V 4.3559 8.0500 116.5934 61.3805 32.2011 177.7003 160 V 3.6887 7.2371 119.5692 66.0298 31.6349 177.0885 161 W 4.6642 8.3028 127.5368 60.4973 30.5747 177.4921 162 L 3.6625 7.6612 119.1954 57.4906 41.3491 177.1019 163 P 3.4236 0.0000 0.0000 65.5307 30.7959 178.2798 164 A 3.8584 7.6785 119.1735 54.6311 18.6902 178.8860 165 L 3.4886 7.2513 119.0227 58.2121 42.0809 179.0242 166 C 4.0923 8.2196 114.7336 61.0550 29.3139 175.0875 167 R 4.3744 7.4038 117.3299 57.2929 29.9362 177.1276 168 K 4.3976 7.5774 116.2022 57.4270 31.7035 176.8826 169 M 4.5871 7.8015 118.2332 53.6583 33.1868 175.3509 170 E 3.7300 8.1771 117.0064 57.0331 27.5220 174.5592 171 V 4.1283 7.0413 115.5403 60.8118 32.5055 173.7711 172 P 4.8343 0.0000 0.0000 63.1277 32.7743 174.7132 173 Y 5.4175 8.2267 118.1505 55.7763 41.0417 173.9588 174 C 4.7091 9.2485 120.6388 58.0015 31.5229 173.0171 175 I 4.9745 8.1246 116.1687 58.8604 37.3904 174.8779 176 V 3.8382 8.8646 130.5721 61.9867 32.3647 177.3300 177 K 3.8792 9.2058 125.1225 58.9829 33.2465 176.7057 178 G 4.2272 7.8475 108.1693 42.8994 0.0000 173.5096 179 K 4.1315 9.3657 124.8856 59.3567 32.0842 179.1725 180 A 3.9859 7.9299 120.6324 55.1406 18.3475 179.4305 181 R 3.8862 7.8587 118.1032 58.9228 30.3829 178.2556 182 L 4.0659 7.7021 118.9593 58.1283 42.0129 179.2752 183 G 3.8360 8.2847 106.8502 47.2106 0.0000 175.7442 184 S 4.1114 8.4228 117.0599 60.7383 62.8785 175.4930 185 I 4.2087 7.7925 119.2730 61.2813 38.0732 176.6098 186 V 4.1275 7.4662 110.7815 61.4517 31.8098 175.3577 187 H 4.0663 7.9205 114.7592 56.6134 26.4501 175.0164 188 K 4.0210 7.6114 121.0399 55.9633 32.8247 176.0676 189 K 4.6513 7.8125 117.7693 55.7153 33.0861 176.2889 190 T 4.3558 7.2782 111.9575 62.5419 72.3023 173.2797 191 A 4.3815 8.3442 126.2072 52.2508 19.1414 176.9476 192 S 4.6529 8.4120 114.1177 56.5549 64.6170 174.3343 193 V 3.8903 8.7486 127.1657 65.6305 32.4004 175.3306 194 L 5.5032 7.7914 117.0659 53.4766 46.1601 174.9993 195 C 5.1621 9.2341 115.0305 57.2657 33.8263 172.5171 196 L 5.3457 9.1847 118.7777 54.4505 44.1160 175.3562 197 T 4.8883 8.7436 117.6425 62.5340 70.4076 173.5775 198 T 4.7205 8.2802 121.8774 60.1722 68.6930 169.9371 199 V 3.5503 8.4293 135.0000 62.2061 32.5736 170.1619 200 K 4.6433 8.3143 135.0000 54.8536 30.3893 178.3942 201 N 4.7743 8.6395 106.0662 53.2118 37.0103 174.1970 202 E 3.8630 8.6857 126.9560 58.2505 29.2607 173.9847 203 D 4.3938 8.0581 116.7817 54.7981 41.2153 175.1904 204 K 4.5357 8.5414 125.2798 57.3683 35.2682 178.9659 205 L 4.0181 8.0275 118.3183 57.9596 41.5613 179.2446 206 E 4.0121 8.2410 118.0964 59.1718 29.5021 178.9124 207 F 3.8112 9.0157 121.4321 61.3041 39.4093 177.3639 208 S 4.1730 8.5848 114.2718 61.3572 62.6890 176.3842 209 K 3.9406 8.3354 123.5868 59.0602 31.8783 178.6523 210 I 3.8233 8.1027 113.4492 62.9486 37.6607 178.0335 211 L 3.7763 7.7662 122.7597 58.0165 41.7289 178.4036 212 E 3.8431 8.2221 118.0370 59.3392 29.4464 178.3471 213 A 4.0297 8.2926 121.1852 54.9330 18.3345 179.5226 214 I 4.2064 8.1389 119.0172 63.3039 37.8147 177.3895 215 K 4.5932 7.6359 117.1745 56.8407 33.3152 176.4681 216 A 4.7144 7.3663 120.9876 52.3359 19.6934 177.4507 217 N 4.4164 8.2384 114.1948 53.8736 40.1379 174.1452 218 F 4.8640 7.4286 118.2134 57.8429 40.8888 173.5163 219 N 4.6842 7.4663 121.7471 52.4031 37.6646 175.0633 220 D 4.5955 6.8691 115.6241 53.2588 45.2179 175.9995 221 K 4.3691 8.0533 120.6178 55.1348 33.8521 177.1603 222 F 4.3470 8.7502 118.7682 56.8771 37.4725 174.3725 223 D 4.6375 8.3794 125.2668 53.6888 41.7576 176.9326 224 E 4.8990 8.3904 127.3220 54.2686 29.8120 172.6908 225 V 4.6494 7.0456 116.0700 62.1776 40.3000 174.0003 226 R 4.1508 7.9708 123.7329 56.2986 30.2371 177.0362 227 K 4.3120 8.9334 123.5124 59.3159 32.4727 178.1446 228 K 4.4205 8.2489 113.5229 56.6163 38.6236 174.5961 229 W 4.2299 8.2621 128.1838 57.1348 30.2178 174.9587 230 G 4.1640 7.1754 113.0515 44.1985 0.0000 170.0555 231 G 3.4614 8.4216 106.6308 44.7434 0.0000 172.5993 232 G 4.2543 8.4683 109.4889 45.1082 0.0000 175.0871 233 V 3.6227 7.8735 110.0011 62.9979 31.1020 170.3810 234 M 3.2758 8.8908 119.1326 55.6328 28.0376 177.2416 235 G 3.9601 8.1896 110.1779 48.2461 0.0000 173.1187 236 S 4.7182 8.0925 117.8531 60.4713 62.7956 176.3566 237 K 3.9213 8.3595 123.1429 59.0562 31.8833 178.8541 238 S 4.1296 8.0050 113.3357 61.2881 62.4564 175.9376 239 Q 3.9790 8.0272 120.1415 58.8862 28.4149 178.5331 240 A 3.9942 8.2395 122.0117 55.0768 18.4352 179.5153 241 K 3.8574 8.1142 118.0659 60.0532 32.1151 179.1592 242 T 3.9020 8.0733 115.9931 66.4231 68.3480 176.6168 243 K 3.9311 8.4787 121.7802 59.3685 32.2197 178.6843 244 A 3.9890 8.2358 121.2591 55.1312 18.2687 179.4007 245 R 3.8305 8.0537 117.1940 59.6147 30.0686 178.3465 246 E 3.9027 7.9841 118.8164 59.1980 29.7040 178.6974 247 K 3.9256 8.0838 119.7149 59.3219 32.1507 178.5034 248 L 3.9460 8.0755 120.6887 58.0420 41.9827 178.6948 249 L 3.9139 8.1289 120.1157 58.1068 41.9653 178.7705 250 A 3.9697 8.1673 120.7891 55.1271 18.1016 179.5783 251 K 3.8901 7.9669 117.1202 59.4298 32.3946 178.4308 252 E 4.0547 8.5891 119.9588 59.1598 29.4472 178.6742 253 A 3.9940 8.2975 120.8169 54.9711 18.2687 179.1323 254 A 4.1233 8.0043 117.6684 54.1161 18.4261 179.4256 255 Q 4.1881 7.6055 119.0864 59.2919 29.2239 178.9005 *256 R 4.1608 7.9315 122.0063 62.3406 29.7257 180.6737 *257 M 4.5342 7.7995 122.6114 59.6646 31.4831 178.8624 *258 T 4.4375 7.6562 115.2343 60.6487 69.7932 175.2848 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 58 R 8.25 4.23 0.00 1.77 1.74 0.00 3.24 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 59 Q 8.97 4.14 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 5.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 60 R 9.28 3.94 0.00 1.97 1.99 0.00 3.35 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 61 R 9.04 3.99 0.00 1.85 1.84 0.00 3.31 0.00 0.00 3.15 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 62 I 8.36 3.31 1.87 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 1.30 0.68 0.91 0.00 0.00 63 L 7.45 3.25 0.00 1.84 1.85 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.42 4.03 0.00 1.90 2.12 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 65 Q 8.45 3.89 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 66 R 7.81 4.18 0.00 1.84 1.95 0.00 3.48 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 67 L 7.27 4.20 0.00 1.84 1.68 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.86 4.59 0.00 1.69 1.73 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.37 7.81 69 V 7.70 4.25 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 0.82 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.38 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 71 P 0.00 4.47 0.00 2.04 1.98 0.00 3.71 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 2.02 2.07 0.00 72 A 7.35 4.43 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 73 L 6.95 5.12 0.00 1.72 1.66 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.46 4.87 0.00 2.68 2.76 0.00 0.00 7.29 7.64 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 75 Q 8.25 4.13 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 76 F 8.34 4.56 0.00 3.21 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 77 T 7.52 3.31 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 1.21 0.00 0.00 78 R 7.77 3.97 0.00 1.75 1.96 0.00 3.24 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 79 T 7.02 3.80 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 1.34 0.00 0.00 80 L 7.12 4.04 0.00 1.20 1.56 0.92 1.44 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 81 D 7.78 4.36 0.00 2.93 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 82 K 8.06 3.93 0.00 1.87 2.11 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.46 7.81 83 N 7.56 4.45 0.00 2.83 2.99 0.00 0.00 7.22 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 84 L 7.97 4.11 0.00 1.84 1.79 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.60 4.59 1.17 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 0.00 0.00 86 T 8.36 3.83 4.17 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 1.18 0.00 0.00 87 N 8.54 4.85 0.00 2.45 2.66 0.00 0.00 6.45 7.85 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 88 L 7.90 4.11 0.00 1.33 1.38 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.41 4.80 0.00 3.22 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 90 K 9.02 3.63 0.00 2.20 1.96 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.51 7.81 91 M 8.03 4.74 0.00 2.18 2.24 0.00 0.00 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0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 166 C 8.22 4.09 0.00 3.27 3.04 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 0.00 167 R 7.40 4.37 0.00 2.16 2.07 0.00 3.52 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 168 K 7.58 4.40 0.00 1.81 1.74 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.47 7.81 169 M 7.80 4.59 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.78 0.00 170 E 8.18 3.73 0.00 2.08 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 2.25 2.24 0.00 171 V 7.04 4.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.05 0.00 0.00 172 P 0.00 4.83 0.00 2.13 2.17 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 173 Y 8.23 5.42 0.00 2.93 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 0.00 174 C 9.25 4.71 0.00 2.84 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 0.00 175 I 8.12 4.97 1.69 0.00 0.00 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 1.25 0.83 0.90 0.00 0.00 176 V 8.86 3.84 2.11 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 0.88 0.00 0.00 0.97 0.00 0.00 177 K 9.21 3.88 0.00 2.09 1.81 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.28 7.81 178 G 7.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 9.37 4.13 0.00 2.06 1.93 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 180 A 7.93 3.99 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 0.00 181 R 7.86 3.89 0.00 1.89 2.08 0.00 3.44 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 182 L 7.70 4.07 0.00 1.87 1.96 0.97 1.14 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 0.00 183 G 8.28 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 0.00 184 S 8.42 4.11 0.00 4.04 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 0.00 185 I 7.79 4.21 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 1.02 0.00 0.00 186 V 7.47 4.13 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 0.97 0.00 0.00 0.89 0.00 0.00 187 H 7.92 4.07 0.00 3.38 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.61 4.02 0.00 0.81 1.61 0.00 1.55 0.00 0.00 1.49 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.26 1.54 7.81 189 K 7.81 4.65 0.00 1.67 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.42 7.81 190 T 7.28 4.36 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 0.00 191 A 8.34 4.38 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 0.00 192 S 8.41 4.65 0.00 3.92 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 0.00 193 V 8.75 3.89 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 1.04 0.00 0.00 0.96 0.00 0.00 194 L 7.79 5.50 0.00 1.52 1.53 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 195 C 9.23 5.16 0.00 3.19 3.12 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 0.00 196 L 9.18 5.35 0.00 1.76 1.80 1.00 0.80 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 0.00 197 T 8.74 4.89 4.43 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 1.15 0.00 0.00 198 T 8.28 4.72 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 0.00 199 V 8.43 3.55 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 0.81 0.00 0.00 0.91 0.00 0.00 200 K 8.31 4.64 0.00 1.01 0.74 0.00 1.36 0.00 0.00 0.97 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.46 1.07 7.81 201 N 8.64 4.77 0.00 2.78 2.73 0.00 0.00 5.92 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 0.00 202 E 8.69 3.86 0.00 2.13 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 0.00 2.18 2.25 0.00 203 D 8.06 4.39 0.00 2.63 2.58 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 0.00 204 K 8.54 4.54 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 205 L 8.03 4.02 0.00 1.68 1.73 0.94 1.00 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 0.00 206 E 8.24 4.01 0.00 2.26 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 0.00 2.43 2.34 0.00 207 F 9.02 3.81 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.58 4.17 0.00 4.09 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 0.00 209 K 8.34 3.94 0.00 2.03 1.95 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 210 I 8.10 3.82 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.00 0.88 0.00 0.00 211 L 7.77 3.78 0.00 1.80 1.88 0.95 0.56 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 0.00 212 E 8.22 3.84 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 213 A 8.29 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 0.00 214 I 8.14 4.21 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 2.40 0.85 0.00 0.00 215 K 7.64 4.59 0.00 1.91 1.84 0.00 1.45 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.64 7.81 216 A 7.37 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.42 0.00 1.44 2.02 0.00 0.00 6.48 7.69 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 0.00 218 F 7.43 4.86 0.00 2.81 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 0.00 219 N 7.47 4.68 0.00 2.75 2.95 0.00 0.00 6.12 8.06 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 0.00 220 D 6.87 4.60 0.00 1.58 2.11 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 0.00 221 K 8.05 4.37 0.00 1.74 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.56 7.81 222 F 8.75 4.35 0.00 2.98 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 0.00 223 D 8.38 4.64 0.00 2.63 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 0.00 224 E 8.39 4.90 0.00 2.19 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 2.47 2.73 0.00 225 V 7.05 4.65 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 0.83 0.00 0.00 1.04 0.00 0.00 226 R 7.97 4.15 0.00 2.01 2.02 0.00 3.49 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 227 K 8.93 4.31 0.00 1.85 1.98 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.62 7.81 228 K 8.25 4.42 0.00 1.73 1.65 0.00 1.34 0.00 0.00 1.48 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.25 7.81 229 W 8.26 4.23 0.00 3.45 3.10 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 0.00 230 G 7.18 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 0.00 0.00 0.00 231 G 8.42 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 0.00 0.00 0.00 232 G 8.47 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 0.00 0.00 0.00 233 V 7.87 3.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.97 0.00 0.00 234 M 8.89 3.28 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 235 G 8.19 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 0.00 236 S 8.09 4.72 0.00 4.05 4.14 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 0.00 237 K 8.36 3.92 0.00 1.87 2.08 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 238 S 8.01 4.13 0.00 3.94 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 0.00 239 Q 8.03 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 240 A 8.24 3.99 1.37 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 0.00 0.00 241 K 8.11 3.86 0.00 1.95 2.10 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 242 T 8.07 3.90 4.41 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 1.22 0.00 0.00 243 K 8.48 3.93 0.00 1.97 1.92 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 244 A 8.24 3.99 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 0.00 245 R 8.05 3.83 0.00 1.91 2.24 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 246 E 7.98 3.90 0.00 2.23 2.11 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 2.31 2.32 0.00 247 K 8.08 3.93 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 248 L 8.08 3.95 0.00 1.90 1.82 0.93 0.42 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 0.00 249 L 8.13 3.91 0.00 1.90 1.82 0.92 0.85 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 0.00 250 A 8.17 3.97 1.37 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 0.00 0.00 251 K 7.97 3.89 0.00 1.92 2.01 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.59 7.81 252 E 8.59 4.05 0.00 2.21 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 0.00 2.31 2.47 0.00 253 A 8.30 3.99 1.37 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 0.00 0.00 254 A 8.00 4.12 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 0.00 255 Q 7.61 4.19 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 *256 R 7.93 4.16 0.00 1.91 1.84 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 *257 M 7.80 4.53 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 *258 T 7.66 4.44 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.