NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 E 4.2486 8.4444 121.4665 55.6961 31.5339 175.3575 28 S 4.7286 7.5254 112.6267 54.8569 65.1699 173.0733 29 R 3.7203 9.3654 125.2050 58.9746 30.4802 178.1658 30 L 3.8280 7.9360 120.5453 58.4081 42.0303 178.7970 31 D 4.3151 7.7988 118.5976 57.2985 40.6221 179.0347 32 R 3.8293 7.6664 118.0648 59.2785 30.1551 178.9802 33 I 3.5636 7.8390 119.9104 64.3821 36.8459 178.5281 34 L 3.9317 7.6672 118.6194 57.7097 41.4368 179.1876 35 E 4.1081 8.0766 118.1750 59.2295 29.6004 179.0412 36 S 4.3110 8.3003 113.3969 58.7357 63.5612 174.7564 37 G 3.8711 8.2495 110.3931 46.1957 0.0000 172.6227 38 V 4.7450 7.4658 118.3802 60.4935 34.6168 174.2652 39 L 4.5535 8.9101 130.0778 53.3322 44.3665 175.2104 40 R 4.7103 9.2892 127.1887 55.3755 31.5661 175.6965 41 V 4.7255 8.7154 125.1321 60.8651 33.8229 174.4682 42 A 5.0876 8.4518 130.3051 51.2797 20.1802 175.8790 43 T 4.3481 7.7772 113.9593 61.3445 70.2849 174.3654 44 T 4.3152 8.2347 115.8587 61.2034 69.8018 176.4335 45 G 4.2329 8.7631 109.3383 46.1559 0.0000 173.7201 46 D 5.3123 7.9957 116.9076 52.7867 40.3681 176.4359 47 Y 5.2803 8.8808 119.8914 56.5059 39.1039 173.9996 48 K 4.4458 8.2917 122.7625 56.1790 33.4861 174.4156 49 P 4.7246 0.0000 0.0000 62.9829 32.3106 177.6174 50 F 4.1832 7.7727 119.2492 60.5366 39.4071 175.3156 51 S 5.0403 8.5710 116.6945 57.9146 65.5191 173.0317 52 Y 5.5496 8.9401 125.2931 56.0912 42.0539 173.4864 53 R 4.8868 8.6291 118.4365 54.8086 31.7587 177.2383 54 T 4.3513 8.3383 113.7413 60.6438 69.9767 175.2454 55 E 3.9117 8.7753 122.7002 59.4314 29.5613 177.5850 56 E 4.1055 8.0637 115.4816 57.1122 29.8344 177.2768 57 G 3.8547 8.3040 107.9345 44.7973 0.0000 174.1030 58 G 4.0309 7.9837 107.8135 45.5110 0.0000 172.2545 59 Y 5.2253 8.5219 115.8478 56.3167 41.1319 175.1221 60 A 4.4138 8.9834 123.2849 50.6996 23.6813 174.6345 61 G 3.5961 8.3647 104.0440 42.4712 0.0000 174.9236 62 F 2.8693 7.8905 122.6604 60.9127 39.1813 176.3366 63 D 4.3212 8.0357 118.6736 56.6159 41.2749 178.1064 64 V 3.5356 7.5668 119.0026 65.8474 31.9106 177.5557 65 D 4.5339 8.0051 115.3003 55.4629 40.9376 177.3171 *67 A 3.9961 8.0722 122.0295 51.9405 20.5225 179.6479 68 Q 3.9267 8.0609 114.7791 59.2546 28.6724 179.5325 69 R 3.9880 7.8872 118.5809 59.0124 29.7325 178.8520 70 L 2.7746 7.5038 119.4272 57.5315 41.9201 178.5855 71 A 3.8568 7.8636 120.8947 55.2287 18.3532 179.1385 72 E 3.8525 8.2738 118.0708 59.4833 29.4512 179.2046 73 S 4.3033 8.0059 113.2056 60.6927 63.0438 175.4278 74 L 4.4774 7.2670 120.0047 53.3003 41.6014 176.4474 75 G 3.9312 7.8723 106.2097 46.3663 0.0000 173.3756 76 A 4.8880 7.7432 119.7399 49.2372 21.7274 177.7012 77 K 4.0765 8.8437 120.5062 56.2534 33.5117 176.2169 78 L 4.3911 8.4075 126.7349 54.6031 42.9395 175.8355 79 V 4.2577 8.5719 127.1799 61.0170 33.6933 174.4514 80 V 4.1759 8.2904 128.6730 62.2457 32.5579 175.0384 81 V 4.2843 8.5493 128.3175 60.3313 33.3565 173.0944 82 P 4.7576 0.0000 0.0000 63.2279 32.2052 175.4977 83 T 4.7857 8.4055 116.8581 61.1214 71.9049 171.8014 84 S 4.6382 8.1990 115.2797 55.5182 66.4612 175.3783 85 W 4.3226 8.7193 120.2153 59.6975 28.9114 176.8637 86 P 4.5077 0.0000 0.0000 64.8079 31.1498 177.3530 87 N 4.8657 7.7646 113.4989 52.8746 39.0397 176.2399 88 L 3.8954 7.5501 120.8430 56.8148 42.2568 177.9007 *90 R 4.2850 7.8157 118.4588 56.7415 31.9628 177.1848 91 D 4.4080 8.7053 118.0315 57.0978 40.6982 178.4510 92 F 3.3296 8.6043 121.0816 61.2225 39.2309 177.0947 93 A 3.8710 8.0568 118.2557 55.0196 18.3159 178.3093 94 D 4.3585 7.8494 114.3836 53.7551 41.4109 175.6676 95 D 3.8745 7.4211 118.0468 55.1793 39.9361 174.5383 96 R 4.0841 7.3888 116.8863 57.5516 30.6392 176.6302 97 F 4.9434 6.6682 110.9272 55.6721 40.7417 173.5214 98 D 4.6524 8.9660 121.1432 56.4124 41.6955 177.1305 99 I 5.0121 7.8723 115.9933 59.9713 41.8066 173.3831 100 A 4.9817 8.7045 129.0267 48.5138 22.7474 176.2599 *102 S 4.1486 8.3353 110.7183 58.4654 63.3953 173.1982 103 G 2.8421 8.7473 103.4802 46.0076 0.0000 174.4592 104 I 4.4948 7.7173 120.1381 60.3236 38.7600 176.0706 105 S 4.6828 8.5742 123.3236 57.8050 63.8629 174.1898 106 I 2.4857 7.9089 125.9260 60.9026 37.3458 175.3218 107 N 5.0114 8.2582 122.4538 50.2534 40.4048 175.2438 108 L 4.1848 8.4306 118.5067 57.2875 42.0249 178.9757 109 E 4.1298 8.2511 119.3124 59.5003 29.6088 178.9573 110 R 3.9975 9.0187 118.4865 59.1971 30.5175 178.6553 111 Q 4.3148 8.4557 118.9097 58.5755 28.7522 178.3625 112 R 3.8849 7.7022 118.1644 58.9117 30.1319 177.2213 113 Q 4.4309 7.5031 113.9927 55.8443 30.7560 174.8162 114 A 4.6829 7.7943 117.8471 50.2291 22.1363 175.0829 115 Y 5.0698 8.8726 116.3661 56.8543 40.8879 175.3930 116 F 5.5614 8.5568 118.7029 55.4907 42.4830 175.3951 117 S 4.8093 9.2261 117.6537 57.8008 63.9448 173.7331 118 I 4.0568 8.8012 114.6770 60.5366 37.7010 174.3670 119 P 4.6100 0.0000 0.0000 62.8451 32.0999 175.4595 120 Y 4.8262 7.9076 116.4726 56.8726 39.4846 175.2834 121 L 4.4747 7.0718 121.4952 54.0289 45.8037 173.7493 122 R 4.5379 8.4508 124.8448 54.9455 31.3623 174.8902 123 D 4.2392 9.5751 127.0597 53.8699 45.7018 173.4505 124 G 4.4069 8.5795 100.7988 43.6276 0.0000 172.3930 125 K 4.4105 8.1944 121.9058 56.6916 32.6609 176.5581 126 T 4.1568 8.3282 116.3304 60.0811 70.8200 171.5844 127 P 4.2500 0.0000 0.0000 62.5452 32.7588 174.8589 128 I 4.8442 8.1585 123.2161 59.6679 40.9755 174.0704 129 T 4.8221 8.6480 122.3170 60.5617 71.8573 172.4664 130 L 4.4857 8.5757 122.9720 54.8881 42.3515 179.2674 131 C 4.2486 8.8208 120.8542 60.2293 40.3222 176.3636 132 S 4.0245 8.0847 112.2065 60.1699 63.0472 174.4093 133 E 4.5199 8.3554 120.3174 55.8863 30.3039 177.0409 134 E 3.9267 8.1934 121.9606 59.3432 29.6673 179.1346 135 A 4.0727 7.8541 119.4837 54.7811 18.5662 178.4545 136 R 3.9125 7.5209 113.7606 57.7374 30.6660 176.6208 137 F 5.2831 7.4423 115.6057 56.8530 39.5064 175.7025 138 Q 4.3662 8.8471 120.8884 57.6887 29.8074 177.6551 139 T 4.9676 7.7890 106.7137 59.0347 73.2358 174.4563 140 L 4.1446 8.5799 122.1361 58.3506 41.3919 179.5558 141 E 3.9969 8.1121 117.7396 59.4422 29.7325 178.4674 142 Q 4.1982 7.9558 117.0805 58.9700 28.8363 178.3916 143 I 4.2408 7.7180 120.2110 63.5197 38.6398 176.7053 144 D 4.7204 8.2835 120.8059 52.9514 39.5838 174.9844 145 Q 4.7189 7.4970 120.2425 52.8887 33.1696 174.7866 146 P 4.3435 0.0000 0.0000 66.0204 31.3708 177.7786 147 G 3.8244 8.0420 103.2110 46.2179 0.0000 173.0023 148 V 4.5883 7.9722 121.1736 61.6635 33.9241 174.6370 149 T 5.0469 9.2810 123.3197 61.7442 71.6143 172.5954 150 A 4.9610 9.1681 129.1527 50.2249 21.0804 175.3734 151 I 4.6690 8.2213 123.6602 60.2919 39.5655 175.3146 152 V 4.6179 8.6702 120.4325 59.8366 36.3913 173.8759 153 N 5.1994 8.3909 120.0503 51.1062 38.7829 172.8664 154 P 4.5339 0.0000 0.0000 62.9802 32.4543 176.5759 155 G 3.9569 9.6365 111.8497 45.8503 0.0000 173.6240 156 G 4.2849 7.4375 109.2613 43.7707 0.0000 173.5343 157 T 4.0569 8.3273 108.3561 64.3780 68.5791 176.4113 158 N 4.2608 7.9296 119.3243 56.2849 38.5992 176.6715 159 E 3.9638 8.0860 120.1468 59.1790 29.8108 178.7454 160 K 3.9665 7.9640 118.1211 59.4231 31.9805 179.1060 161 F 4.0106 8.6234 120.9486 61.0726 39.3318 177.0182 162 A 4.0321 8.2743 120.3958 55.4757 18.0620 179.9606 163 R 3.9047 8.0239 114.6884 58.8365 30.1545 178.6397 164 A 4.1753 7.7508 119.7642 53.5001 18.7091 177.5593 165 N 4.6288 7.4338 111.8049 52.6253 40.1371 174.3271 166 L 4.8938 7.9609 118.4648 53.1778 43.2409 176.2964 167 K 4.4482 9.2882 123.3752 56.2079 33.3669 177.4485 168 K 4.3468 8.9350 116.9214 57.5601 34.1959 176.8551 169 A 4.4766 8.0816 118.2730 51.8542 19.3822 177.1829 170 R 4.1002 9.0266 121.2978 56.2629 31.5601 175.3143 171 I 4.8013 8.3148 126.6764 59.6417 39.0824 174.5754 172 L 4.5134 8.9493 130.6698 53.3270 43.6736 175.2115 173 V 4.4316 8.3346 127.2296 62.3583 32.2205 174.4962 174 H 4.7091 9.3022 128.0748 53.9221 31.6962 172.3731 175 P 4.1858 0.0000 0.0000 64.8356 31.7275 176.3403 176 D 4.6139 7.5291 118.0764 52.7081 39.8399 176.1114 177 N 4.4465 8.5207 124.1043 55.5585 38.9362 177.1510 178 V 3.8039 7.8608 117.5831 65.0657 31.7350 176.4838 179 T 4.5376 7.8813 107.7553 61.1187 69.6830 175.8212 180 I 3.2579 7.7075 123.0991 64.4300 38.0540 177.5312 181 F 4.1332 7.8720 117.9618 60.2177 38.7311 177.3004 182 Q 3.9936 7.9404 119.5053 59.0608 28.7534 178.2905 183 Q 3.9564 7.7189 119.0671 58.4953 28.6037 178.7099 184 I 3.9640 7.3930 122.0085 63.9381 37.0073 178.4334 185 V 3.5856 7.7175 117.5150 66.1251 31.3663 176.3911 186 D 4.4521 8.2892 117.0673 54.8722 40.7931 177.2472 187 G 3.9635 8.0535 107.8480 45.4489 0.0000 174.8709 188 K 4.1091 8.0023 119.0908 58.1402 32.4359 176.8403 189 A 4.6698 7.3873 120.0664 50.8409 22.0851 176.4195 190 D 4.4050 8.7419 120.5609 56.7449 41.6904 176.4469 191 L 4.6277 6.9035 116.2792 56.3899 43.6193 173.1644 *194 T 4.4758 8.0410 112.7871 61.9538 69.2397 173.1148 195 D 4.7364 8.4445 121.2698 54.9178 41.2822 178.2233 196 A 3.9218 9.0296 125.0435 55.4492 18.3761 179.9799 197 I 3.6089 8.1764 116.9961 64.1561 37.9573 177.8217 198 E 3.9851 8.2329 119.5530 59.1474 29.6311 178.3051 199 A 3.8922 8.3020 121.2653 55.1319 17.9446 179.5610 200 R 3.7597 8.2173 117.3919 59.4777 30.1909 178.5333 201 L 3.9223 7.8028 120.0594 58.3509 42.0410 178.9677 202 Q 3.7825 8.2165 118.5866 58.6710 28.1192 178.6877 203 S 4.2524 8.0412 114.7796 60.4700 62.8356 176.4431 204 R 3.9598 7.1738 121.1706 59.2628 30.0750 177.9309 205 L 4.2181 7.7831 117.4967 56.5264 42.5973 177.0097 206 H 4.8070 8.2986 115.9785 52.5127 29.3928 171.8226 207 P 3.9051 0.0000 0.0000 64.0486 31.9782 177.6993 208 E 4.0607 8.3803 116.0347 58.4686 29.4953 176.4740 209 L 5.2350 8.4491 119.1385 53.1774 44.3755 175.5482 210 C 5.1219 9.3750 117.7897 55.0870 44.6520 173.1118 211 A 4.8001 8.5487 124.4525 51.1488 18.9442 177.5477 212 V 3.8240 8.5023 124.3844 63.2581 32.3392 176.5293 213 H 4.8948 8.0452 121.3575 53.3796 28.4592 170.7648 214 P 4.5526 0.0000 0.0000 62.6449 32.4792 176.4558 215 Q 3.8600 8.6024 120.1884 58.8997 29.0425 175.7536 *217 P 4.3207 0.0000 0.0000 62.2904 32.5618 176.0484 218 F 4.3853 8.8709 122.7369 60.7360 39.9044 175.2297 219 D 4.7901 7.7916 117.1434 53.1226 44.4924 173.6848 220 F 5.0538 8.7971 125.8136 56.5642 41.6715 174.0906 221 A 3.9902 7.6148 125.2691 50.7224 23.1084 174.6202 222 E 4.7654 7.9808 117.5401 54.3025 33.4659 175.5597 223 K 4.5242 8.3436 122.0152 55.8199 33.9015 175.8200 224 A 4.7955 8.2473 124.1460 51.5947 23.0909 174.6080 225 Y 5.2128 8.8328 116.6039 56.7117 40.3150 175.5496 226 L 4.4002 8.8454 126.5713 54.8290 43.4450 175.5793 227 L 5.5904 8.8524 126.1610 52.0433 45.7581 174.4370 228 P 4.9416 0.0000 0.0000 62.7497 32.5110 177.6676 229 R 2.6798 8.2518 120.0227 55.2301 27.9324 174.7530 230 D 4.5439 7.7646 118.3981 51.4539 44.0448 174.4288 231 E 4.1662 8.9752 127.2836 59.7244 29.7267 179.2432 232 A 4.1034 8.1473 120.2760 55.0302 18.4357 179.3436 233 F 4.4260 8.7603 119.4249 61.3055 39.4550 177.3003 234 K 3.9071 8.4545 119.3585 59.6979 32.0458 178.8754 235 R 3.9925 8.3757 118.4648 59.3583 29.8761 178.4959 236 Y 3.9041 8.1468 119.2499 60.7233 38.8297 178.0406 237 V 3.7243 8.0081 119.3758 66.2876 31.5306 177.6982 238 D 4.4416 8.6103 119.0281 57.3774 40.6432 178.5788 239 Q 3.9442 8.1981 120.1630 58.7984 29.0392 178.0567 240 W 4.0380 8.2874 129.6436 60.4631 30.6809 177.7977 241 L 3.1163 8.3649 120.5136 57.8644 41.4534 178.3699 242 H 4.1104 8.5651 118.8413 59.1964 29.7183 177.3356 243 I 3.5828 7.8075 121.4215 64.1752 36.8282 178.2092 244 A 3.7862 7.5366 121.5811 54.9595 18.0038 179.2823 245 E 3.7954 8.2021 117.9606 59.7674 29.6000 179.2030 246 Q 3.9875 8.1019 117.1443 58.5230 28.8410 178.2528 247 S 4.2977 8.1466 114.3369 59.4323 63.6393 175.3382 248 G 3.9556 7.9282 111.7495 45.3193 0.0000 175.1349 249 L 3.9426 7.7369 121.8910 57.9118 41.7981 178.4427 250 L 4.0164 7.7713 119.4352 58.3371 42.1473 178.5894 251 R 4.0619 7.9687 116.6425 59.3477 30.2921 177.6035 252 Q 4.2239 8.2024 119.3181 59.2609 29.0991 180.0128 253 R 4.1576 8.1390 117.9952 56.7122 30.0277 178.5267 *255 E 4.2922 8.1818 120.3024 56.7883 31.6717 177.2009 256 H 4.2216 8.3697 117.7634 58.6939 30.1548 176.0793 257 W 4.5903 8.4288 117.3788 58.2876 29.8323 176.4045 258 L 4.1764 7.8677 121.0358 54.7840 41.2416 176.3134 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 27 E 8.44 4.25 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 28 S 7.53 4.73 0.00 3.88 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 29 R 9.37 3.72 0.00 1.71 1.56 0.00 2.54 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.31 0.00 30 L 7.94 3.83 0.00 1.98 1.70 0.64 1.23 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 31 D 7.80 4.32 0.00 2.76 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 32 R 7.67 3.83 0.00 1.85 1.85 0.00 3.03 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 33 I 7.84 3.56 1.79 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.48 0.78 0.00 0.00 34 L 7.67 3.93 0.00 1.71 1.67 0.84 0.72 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 35 E 8.08 4.11 0.00 2.11 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 2.31 2.27 0.00 36 S 8.30 4.31 0.00 3.94 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 37 G 8.25 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 0.00 0.00 0.00 38 V 7.47 4.74 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 0.72 0.00 0.00 0.88 0.00 0.00 39 L 8.91 4.55 0.00 1.67 1.40 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.29 4.71 0.00 1.94 1.86 0.00 3.09 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 41 V 8.72 4.73 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 0.76 0.00 0.00 0.80 0.00 0.00 42 A 8.45 5.09 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.78 4.35 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 0.83 0.00 0.00 44 T 8.23 4.32 4.11 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 0.05 0.00 0.00 45 G 8.76 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 46 D 8.00 5.31 0.00 3.04 2.87 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 47 Y 8.88 5.28 0.00 3.26 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 48 K 8.29 4.45 0.00 1.67 1.71 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.30 0.94 7.81 49 P 0.00 4.72 0.00 2.16 2.20 0.00 3.17 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 1.08 1.63 0.00 50 F 7.77 4.18 0.00 3.12 3.29 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 0.00 51 S 8.57 5.04 0.00 4.02 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 52 Y 8.94 5.55 0.00 3.13 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 53 R 8.63 4.89 0.00 1.71 1.76 0.00 2.94 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 54 T 8.34 4.35 4.27 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 0.00 0.00 1.17 0.00 0.00 55 E 8.78 3.91 0.00 1.97 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 2.32 2.42 0.00 56 E 8.06 4.11 0.00 2.00 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 2.33 2.26 0.00 57 G 8.30 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 0.00 0.00 0.00 58 G 7.98 4.03 0.00 0.00 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0.00 0.00 0.00 76 A 7.74 4.89 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 77 K 8.84 4.08 0.00 1.63 1.70 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 L 8.41 4.39 0.00 1.55 1.52 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.57 4.26 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 0.91 0.00 0.00 0.89 0.00 0.00 80 V 8.29 4.18 1.80 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 -0.13 0.00 0.00 0.72 0.00 0.00 81 V 8.55 4.28 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 0.97 0.00 0.00 0.92 0.00 0.00 82 P 0.00 4.76 0.00 2.01 2.07 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 83 T 8.41 4.79 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 0.95 0.00 0.00 84 S 8.20 4.64 0.00 3.88 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0.00 0.00 0.00 0.00 136 R 7.52 3.91 0.00 0.94 1.18 0.00 2.85 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 137 F 7.44 5.28 0.00 3.01 2.86 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 0.00 0.00 0.00 138 Q 8.85 4.37 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 139 T 7.79 4.97 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 0.00 140 L 8.58 4.14 0.00 1.62 1.78 1.11 0.29 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 0.00 141 E 8.11 4.00 0.00 1.97 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 0.00 2.31 2.42 0.00 142 Q 7.96 4.20 0.00 2.38 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 143 I 7.72 4.24 2.15 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 1.64 0.89 0.93 0.00 0.00 144 D 8.28 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.97 0.00 0.00 153 N 8.39 5.20 0.00 2.70 2.83 0.00 0.00 6.44 7.75 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 0.00 154 P 0.00 4.53 0.00 1.97 2.01 0.00 3.73 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 2.01 2.07 0.00 155 G 9.64 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 0.00 156 G 7.44 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 0.00 0.00 0.00 0.00 157 T 8.33 4.06 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 1.20 0.00 0.00 158 N 7.93 4.26 0.00 2.76 2.84 0.00 0.00 6.80 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 0.00 159 E 8.09 3.96 0.00 2.21 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 2.40 0.00 160 K 7.96 3.97 0.00 2.05 1.88 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.73 7.81 161 F 8.62 4.01 0.00 3.22 3.19 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 0.00 162 A 8.27 4.03 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 0.00 163 R 8.02 3.90 0.00 1.78 1.99 0.00 3.16 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 164 A 7.75 4.18 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 0.00 165 N 7.43 4.63 0.00 2.27 2.57 0.00 0.00 6.78 7.98 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 0.00 166 L 7.96 4.89 0.00 1.65 1.65 0.93 0.74 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 0.00 167 K 9.29 4.45 0.00 1.70 1.82 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 168 K 8.93 4.35 0.00 1.81 1.81 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.34 7.81 169 A 8.08 4.48 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 9.03 4.10 0.00 1.88 1.79 0.00 3.06 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 171 I 8.31 4.80 1.86 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 1.22 0.73 0.90 0.00 0.00 172 L 8.95 4.51 0.00 1.68 1.50 0.92 0.69 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 0.00 173 V 8.33 4.43 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 0.79 0.00 0.00 0.92 0.00 0.00 174 H 9.30 4.71 0.00 3.17 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.19 0.00 2.02 2.07 0.00 3.52 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 1.97 2.03 0.00 176 D 7.53 4.61 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 177 N 8.52 4.45 0.00 2.80 2.92 0.00 0.00 7.12 7.68 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 0.00 178 V 7.86 3.80 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 0.98 0.00 0.00 179 T 7.88 4.54 4.39 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 1.32 0.00 0.00 180 I 7.71 3.26 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.28 0.00 0.00 181 F 7.87 4.13 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.99 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 183 Q 7.72 3.96 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.22 0.00 184 I 7.39 3.96 2.01 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 1.32 1.32 0.94 0.00 0.00 185 V 7.72 3.59 2.20 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.55 0.00 230 D 7.76 4.54 0.00 2.67 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 0.00 231 E 8.98 4.17 0.00 2.12 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 0.00 2.52 2.43 0.00 232 A 8.15 4.10 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 0.00 233 F 8.76 4.43 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 K 8.45 3.91 0.00 2.13 2.18 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.57 7.81 235 R 8.38 3.99 0.00 2.11 2.04 0.00 3.38 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 236 Y 8.15 3.90 0.00 3.22 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 0.00 237 V 8.01 3.72 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 1.26 0.00 0.00 0.32 0.00 0.00 238 D 8.61 4.44 0.00 2.80 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 0.00 239 Q 8.20 3.94 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 240 W 8.29 4.04 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 L 8.36 3.12 0.00 1.99 1.68 0.69 1.50 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 0.00 242 H 8.57 4.11 0.00 3.30 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 I 7.81 3.58 1.91 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 1.43 0.62 0.86 0.00 0.00 244 A 7.54 3.79 0.93 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 0.00 0.00 245 E 8.20 3.80 0.00 2.05 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 2.28 2.35 0.00 246 Q 8.10 3.99 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 247 S 8.15 4.30 0.00 3.98 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 0.00 248 G 7.93 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 0.00 249 L 7.74 3.94 0.00 1.65 1.76 0.93 0.65 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 0.00 250 L 7.77 4.02 0.00 1.62 1.70 1.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 251 R 7.97 4.06 0.00 1.86 2.12 0.00 3.31 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 252 Q 8.20 4.22 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 253 R 8.14 4.16 0.00 2.29 2.34 0.00 3.46 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 *255 E 8.18 4.29 0.00 2.16 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 2.47 0.00 256 H 8.37 4.22 0.00 3.12 3.48 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 W 8.43 4.59 0.00 3.52 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 0.00 258 L 7.87 4.18 0.00 1.52 1.40 0.46 0.27 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 * Residues marked with a * may have inaccurate shift predictions.