NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8080 8.3549 109.7421 45.2175 0.0000 174.1901 *2 K 4.5830 8.3447 116.6408 56.1066 34.4174 175.5809 3 N 5.1225 8.9408 118.2928 51.5698 41.0737 173.3081 4 V 4.8931 8.0799 119.7457 61.7803 34.4677 174.1756 5 T 4.3739 8.2136 119.6013 60.6767 71.5145 172.1319 6 K 4.4266 8.6249 126.4949 56.4006 32.6243 176.4444 7 A 4.5114 8.8971 129.8876 51.9465 19.4528 176.4166 8 S 4.7299 9.0455 114.1533 55.7145 66.1625 175.1226 9 I 3.5993 8.1042 118.8367 63.9711 37.2572 176.8323 10 D 4.3771 7.5231 116.9262 57.0827 41.2361 177.2331 11 D 4.5479 8.1747 118.0499 55.0056 40.9948 178.1128 12 L 3.8081 7.7406 122.1960 58.2444 42.1165 178.3235 13 D 4.3094 7.9724 117.4057 57.3580 41.1791 178.2312 14 S 4.0993 7.9176 115.2979 61.4438 62.9449 176.3990 15 I 3.4369 7.6972 122.5082 64.4750 36.7755 178.7868 16 V 3.5542 7.9974 119.2116 65.9252 31.0232 177.5309 17 H 4.1000 8.1517 117.7029 59.0755 30.0493 176.8407 18 I 3.8723 7.7611 121.6881 64.6972 36.9573 177.9306 19 D 4.5045 8.2367 118.5724 57.4113 41.0002 178.2645 20 I 4.0145 8.0937 122.2079 63.8791 36.7895 178.1165 21 D 4.3475 7.7299 119.0641 56.9908 40.6835 178.6788 22 V 3.7704 7.6250 117.8013 65.3277 31.9480 177.1681 23 I 4.3013 8.0467 109.9509 60.4857 38.5622 176.4231 24 G 3.9917 9.3401 109.0596 45.2643 0.0000 172.3177 25 N 4.6205 7.6434 115.4735 52.7418 39.7010 173.9122 26 D 4.8233 8.3277 115.2180 53.3267 39.6728 178.6366 27 S 4.1195 8.5572 117.1862 61.5270 63.1374 175.0435 28 R 4.5223 7.8665 118.6981 56.0508 30.6174 177.6582 29 R 3.8822 8.2312 120.7483 59.8387 29.8661 178.3429 30 N 4.4441 8.1416 115.6427 56.2153 38.5700 176.6070 31 Y 3.9774 8.0367 120.5507 60.8156 38.8921 178.1940 32 I 3.6249 8.0414 120.7129 64.0563 37.1051 178.2201 33 K 3.7835 8.4029 120.9134 59.9053 32.0303 178.2111 34 H 4.0590 8.3725 118.6023 59.2462 29.6410 177.2741 35 S 3.8113 7.8369 116.9250 61.6378 62.6771 176.7594 36 I 3.6373 7.7904 122.4878 64.5003 36.5938 178.1302 37 D 4.3610 8.0610 118.9143 57.1135 40.7423 177.8914 38 E 4.3462 7.8599 115.9975 55.6125 29.7318 176.8447 39 G 3.8643 7.8224 107.0576 46.5750 0.0000 174.3430 40 R 3.9844 8.2323 116.5185 55.2104 31.6300 174.7916 41 C 5.3751 7.9060 119.9447 57.5315 34.7092 172.6987 42 V 4.8810 9.1389 125.9137 60.9389 34.4640 174.1166 43 I 5.2028 8.7413 120.3552 58.9978 41.1285 174.3579 44 V 4.9613 8.5604 123.2838 60.0186 33.8674 174.7164 45 K 5.1682 9.1858 123.6198 54.8106 36.2401 174.7410 46 E 4.8392 9.0538 122.4125 55.6233 33.5710 174.8738 47 D 4.1912 9.6350 125.7553 55.7188 38.4673 173.7767 48 N 4.4258 8.7234 112.8603 53.8746 37.7063 173.0269 49 S 4.7492 7.8303 109.9358 56.1529 66.2713 173.0033 50 I 4.4623 8.2149 122.3563 61.3831 37.7306 176.1001 51 S 4.5118 8.9837 120.6523 58.8829 65.3112 173.8484 52 G 4.3756 7.8250 105.5648 46.3011 0.0000 171.8190 53 F 5.5407 8.4025 114.1481 55.8264 41.7427 173.0037 54 L 5.3526 9.3609 121.4431 53.6807 45.7900 175.0636 55 T 5.4912 8.9619 115.0312 60.3884 72.2481 172.1264 56 Y 5.5611 8.2482 119.6197 56.3629 41.8171 172.7582 57 D 4.9622 9.5083 118.9068 53.0283 45.8135 174.9381 58 T 5.2240 8.6166 109.0336 61.6387 69.1013 174.0341 59 N 4.9872 8.4427 117.3066 53.6666 37.8941 174.4016 60 F 4.4966 8.2040 123.0018 58.1092 39.0137 174.9181 61 F 3.6919 8.4834 129.2667 58.3923 36.4529 176.1000 62 D 4.6258 8.4958 114.6441 55.1565 38.5721 173.5301 63 C 5.2530 8.1074 116.8249 57.8228 32.1411 173.5710 64 T 4.7346 8.8791 118.1140 64.1389 69.3917 173.2484 65 F 5.2325 9.7381 128.3412 56.4466 42.7485 173.8493 66 L 4.9632 8.4587 127.4696 54.1323 40.7075 176.5762 67 S 4.8689 9.2481 120.2366 60.0944 64.4320 174.8468 68 L 4.7884 7.9334 119.9019 53.1365 46.0623 175.8453 69 I 4.6594 8.3037 123.0528 59.6483 40.0090 174.0601 70 I 4.3238 8.3352 128.0561 59.0176 40.2899 174.8526 71 V 4.6635 8.0855 126.2899 60.4742 34.1608 175.1995 72 S 4.1053 8.8157 122.3828 58.1858 62.5711 173.2159 73 P 4.4659 0.0000 0.0000 64.0997 31.1520 177.3381 74 T 4.0649 7.7107 108.9666 63.4655 69.1943 175.5152 75 K 4.1553 7.5441 121.7620 56.4079 32.5193 176.7769 76 R 4.6948 8.5306 119.2049 55.5332 31.5855 175.0188 77 R 4.7546 7.8967 113.4786 54.0304 32.6124 174.7331 78 R 4.2656 8.1912 115.3810 55.8054 30.7743 176.0194 79 G 3.8547 8.7174 104.9041 46.2430 0.0000 176.1288 80 Y 3.8848 8.2493 117.8714 61.0332 37.9873 177.6200 81 A 3.9539 8.0078 121.2001 55.2936 18.4345 179.5484 82 S 4.1525 8.0015 113.1005 61.8669 62.8896 176.9284 83 S 4.1324 8.0816 117.6892 61.6071 62.3736 176.7360 84 L 4.0021 7.5362 119.7885 57.8681 41.4646 179.3410 85 L 4.2409 7.8371 117.5598 58.0570 42.0498 179.4996 86 S 4.3689 8.5603 115.5151 61.4294 62.6535 176.6206 87 Y 4.0585 7.9400 120.1111 58.2293 38.4698 177.6992 *89 L 4.2158 7.9582 120.2336 53.9285 43.7308 178.8987 90 S 4.2512 7.4086 111.9231 59.4951 63.4026 174.5253 91 H 4.6114 7.6719 114.5384 54.8720 29.5998 174.4842 92 S 3.9300 7.8796 114.8706 58.0169 62.4059 172.2729 93 P 4.5465 0.0000 0.0000 63.9938 31.7354 176.0067 94 T 4.7848 7.4209 108.5009 59.6325 71.6950 174.0183 95 Q 4.1367 8.7223 122.0098 58.8137 29.8838 176.5656 96 K 4.6666 8.0312 117.2089 55.4885 33.6873 176.6850 97 I 4.8161 8.2940 124.6023 59.6284 40.6591 174.6289 98 F 5.4338 9.3272 125.1858 56.3987 43.1600 174.4028 99 S 2.9755 8.4962 113.7081 58.1285 65.8884 172.7927 100 S 5.2880 8.3152 112.9415 58.4148 65.7672 172.9660 101 T 4.7987 8.8848 114.0516 60.7805 71.3049 172.4415 102 N 4.9998 8.8005 121.8289 53.1991 39.2464 175.9569 103 E 4.1230 9.1224 123.7456 59.3978 29.7395 178.4770 104 S 4.2849 8.6910 113.1892 60.1624 63.9682 174.4469 105 N 4.6697 8.0484 122.0727 52.3492 37.2008 174.8018 106 E 3.9232 8.1901 122.7135 58.4948 30.5688 179.2813 107 S 3.9385 7.4494 108.5050 59.3974 62.0894 175.3979 *109 Q 4.1516 8.1561 119.3923 55.5508 30.5268 177.5544 110 K 3.9598 7.8927 118.3056 59.1645 31.5307 179.1314 111 V 3.4335 7.5029 118.6726 65.8289 31.4233 177.9877 112 F 4.0748 7.4646 116.9534 60.5860 38.6717 177.0982 113 N 4.4443 8.4124 115.9066 56.4415 38.2288 177.1204 114 A 4.2583 8.0369 119.8977 53.8152 18.4427 177.6408 115 N 4.8232 7.5153 112.3492 52.7023 39.3248 175.3987 116 G 3.9417 8.4439 105.8382 45.8937 0.0000 174.0552 117 F 4.6942 8.4527 118.0362 56.8533 39.9188 175.1166 118 I 4.7835 8.7151 115.5320 58.7428 40.5748 175.1262 119 R 3.5707 8.4907 122.6008 56.7552 30.5364 177.1086 120 S 4.4177 8.9070 117.7799 57.5634 63.8847 173.6269 121 G 3.8563 7.3940 105.4788 44.0514 0.0000 172.5364 122 I 4.9478 7.6780 118.1053 59.8953 41.2432 174.9231 123 V 4.4059 9.1162 128.3971 61.3420 33.9872 174.9822 124 E 4.5028 8.8914 127.3986 55.4627 31.4957 175.4774 125 N 4.4162 8.6278 114.2198 54.6827 37.3334 175.3770 126 L 4.4714 7.9256 119.2230 54.7221 41.0284 179.9440 127 D 4.4122 9.0835 127.9886 54.5013 41.5091 174.9246 128 E 4.0424 8.8416 124.4067 57.7286 29.6901 176.7656 129 G 3.9859 9.1141 113.2814 46.2091 0.0000 173.5164 130 D 4.6879 8.0103 118.6683 51.5041 41.4807 172.9754 131 P 4.5888 0.0000 0.0000 61.8494 33.6471 174.9572 132 E 4.7050 8.8480 121.6637 56.2489 30.9082 175.9021 133 I 4.6943 9.1912 126.3754 60.1949 39.0337 175.1927 134 I 4.6632 8.4259 128.5691 61.0182 38.5544 175.0530 135 F 5.2420 9.1251 124.8773 55.8739 42.4312 173.7336 136 Y 5.0201 9.0243 121.9710 56.5601 42.6125 173.7148 137 T 3.9518 7.5433 118.5846 60.9641 71.5135 171.9793 138 K 4.7422 7.5636 122.5516 53.9951 34.5167 176.7762 139 K 4.1807 8.3125 121.8017 56.1868 32.8393 177.1247 140 L 4.2098 8.2680 122.6298 55.0590 42.3179 177.9210 141 R 4.1201 8.1422 117.8601 56.5419 29.4688 174.7764 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 0 G 8.35 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 0.00 0.00 0.00 *2 K 8.34 4.58 0.00 1.63 1.79 0.00 1.50 0.00 0.00 0.90 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.35 7.81 3 N 8.94 5.12 0.00 2.82 2.87 0.00 0.00 6.63 7.29 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 4 V 8.08 4.89 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 0.64 0.00 0.00 1.02 0.00 0.00 5 T 8.21 4.37 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 1.18 0.00 0.00 6 K 8.62 4.43 0.00 1.91 1.75 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 7 A 8.90 4.51 1.19 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 0.00 0.00 8 S 9.05 4.73 0.00 3.94 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 9 I 8.10 3.60 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.89 0.00 0.00 10 D 7.52 4.38 0.00 2.72 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 11 D 8.17 4.55 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.81 0.00 1.70 1.68 0.82 1.11 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 13 D 7.97 4.31 0.00 2.79 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 14 S 7.92 4.10 0.00 3.99 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 15 I 7.70 3.44 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 -0.41 0.00 0.00 16 V 8.00 3.55 2.03 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 1.06 0.00 0.00 0.91 0.00 0.00 17 H 8.15 4.10 0.00 3.27 3.50 0.00 6.02 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.76 3.87 2.24 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 1.05 0.00 0.00 19 D 8.24 4.50 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.09 4.01 1.94 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 1.57 1.30 0.88 0.00 0.00 21 D 7.73 4.35 0.00 2.86 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 22 V 7.63 3.77 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 0.87 0.00 0.00 0.95 0.00 0.00 23 I 8.05 4.30 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 0.93 0.00 0.00 24 G 9.34 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 25 N 7.64 4.62 0.00 2.91 2.91 0.00 0.00 5.94 8.07 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 26 D 8.33 4.82 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.56 4.12 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.87 4.52 0.00 2.17 2.10 0.00 3.15 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 29 R 8.23 3.88 0.00 1.91 2.00 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 30 N 8.14 4.44 0.00 2.81 2.87 0.00 0.00 6.72 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.04 3.98 0.00 3.14 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 32 I 8.04 3.62 1.94 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 1.59 0.81 0.71 0.00 0.00 33 K 8.40 3.78 0.00 1.85 2.00 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 H 8.37 4.06 0.00 3.25 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.84 3.81 0.00 3.87 3.69 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 36 I 7.79 3.64 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.87 0.00 0.00 37 D 8.06 4.36 0.00 2.72 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 38 E 7.86 4.35 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 39 G 7.82 3.86 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 0.00 0.00 0.00 40 R 8.23 3.98 0.00 1.53 1.42 0.00 3.05 0.00 0.00 2.97 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.46 0.00 41 C 7.91 5.38 0.00 2.91 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 42 V 9.14 4.88 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 0.38 0.00 0.00 0.99 0.00 0.00 43 I 8.74 5.20 1.89 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 1.32 0.76 0.93 0.00 0.00 44 V 8.56 4.96 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 0.95 0.00 0.00 1.08 0.00 0.00 45 K 9.19 5.17 0.00 1.67 1.78 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 46 E 9.05 4.84 0.00 2.20 1.84 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 2.28 2.37 0.00 47 D 9.63 4.19 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.72 4.43 0.00 2.85 2.94 0.00 0.00 6.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.83 4.75 0.00 3.99 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 50 I 8.21 4.46 1.87 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 1.42 0.54 0.98 0.00 0.00 51 S 8.98 4.51 0.00 3.81 3.45 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 52 G 7.82 4.38 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 0.00 53 F 8.40 5.54 0.00 3.13 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 54 L 9.36 5.35 0.00 1.67 1.53 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.96 5.49 4.40 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 1.44 0.00 0.00 56 Y 8.25 5.56 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 57 D 9.51 4.96 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 5.22 4.40 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 1.45 0.00 0.00 59 N 8.44 4.99 0.00 2.81 2.96 0.00 0.00 6.03 7.43 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 60 F 8.20 4.50 0.00 3.14 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 61 F 8.48 3.69 0.00 2.86 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 62 D 8.50 4.63 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.11 5.25 0.00 3.55 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.88 4.73 4.49 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 1.23 0.00 0.00 65 F 9.74 5.23 0.00 3.11 2.92 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 66 L 8.46 4.96 0.00 1.51 1.70 1.04 0.98 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 67 S 9.25 4.87 0.00 4.01 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 0.00 68 L 7.93 4.79 0.00 1.52 1.49 1.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.30 4.66 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.70 0.00 0.00 70 I 8.34 4.32 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.52 0.80 0.00 0.00 71 V 8.09 4.66 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 0.59 0.00 0.00 0.89 0.00 0.00 72 S 8.82 4.11 0.00 3.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.05 2.05 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 74 T 7.71 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 1.19 0.00 0.00 75 K 7.54 4.16 0.00 1.53 1.47 0.00 1.43 0.00 0.00 1.40 0.00 0.00 2.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 0.28 7.81 76 R 8.53 4.69 0.00 1.76 1.89 0.00 3.31 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 77 R 7.90 4.75 0.00 1.86 1.89 0.00 3.00 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 78 R 8.19 4.27 0.00 1.92 1.97 0.00 2.99 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 79 G 8.72 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 80 Y 8.25 3.88 0.00 2.99 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 81 A 8.01 3.95 1.16 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 82 S 8.00 4.15 0.00 3.96 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 83 S 8.08 4.13 0.00 4.05 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 84 L 7.54 4.00 0.00 1.81 1.74 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.84 4.24 0.00 1.80 1.91 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.56 4.37 0.00 4.01 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 87 Y 7.94 4.06 0.00 3.05 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 *89 L 7.96 4.22 0.00 1.89 1.66 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.41 4.25 0.00 3.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.67 4.61 0.00 2.84 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.88 3.93 0.00 3.71 3.70 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 93 P 0.00 4.55 0.00 2.31 2.25 0.00 3.65 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 2.12 2.20 0.00 94 T 7.42 4.78 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 1.38 0.00 0.00 95 Q 8.72 4.14 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 96 K 8.03 4.67 0.00 1.87 1.97 0.00 1.93 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.60 7.81 97 I 8.29 4.82 1.58 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 1.00 0.00 0.00 98 F 9.33 5.43 0.00 3.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.50 2.98 0.00 3.60 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 0.00 100 S 8.32 5.29 0.00 4.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.88 4.80 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 1.43 0.00 0.00 102 N 8.80 5.00 0.00 2.81 3.11 0.00 0.00 6.43 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 0.00 103 E 9.12 4.12 0.00 2.00 2.16 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 2.36 2.35 0.00 104 S 8.69 4.28 0.00 4.04 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 0.00 105 N 8.05 4.67 0.00 2.76 2.88 0.00 0.00 7.04 8.04 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 0.00 106 E 8.19 3.92 0.00 2.08 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 2.43 2.32 0.00 107 S 7.45 3.94 0.00 3.88 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 *109 Q 8.16 4.15 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 110 K 7.89 3.96 0.00 1.92 1.91 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.31 7.81 111 V 7.50 3.43 1.59 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 0.60 0.00 0.00 0.77 0.00 0.00 112 F 7.46 4.07 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.41 4.44 0.00 3.00 2.93 0.00 0.00 6.95 7.14 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 0.00 114 A 8.04 4.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 7.52 4.82 0.00 2.89 3.06 0.00 0.00 7.01 7.53 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 0.00 116 G 8.44 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 0.00 117 F 8.45 4.69 0.00 3.11 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 0.00 118 I 8.72 4.78 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.97 0.00 0.00 119 R 8.49 3.57 0.00 1.59 1.71 0.00 3.16 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 0.00 120 S 8.91 4.42 0.00 4.00 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 0.00 121 G 7.39 3.86 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 0.00 0.00 0.00 122 I 7.68 4.95 1.87 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 1.25 0.83 0.92 0.00 0.00 123 V 9.12 4.41 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 0.98 0.00 0.00 1.05 0.00 0.00 124 E 8.89 4.50 0.00 1.90 1.89 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 2.29 2.35 0.00 125 N 8.63 4.42 0.00 2.87 2.94 0.00 0.00 6.80 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 0.00 126 L 7.93 4.47 0.00 1.64 0.99 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.08 4.41 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.84 4.04 0.00 2.19 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 2.30 1.89 0.00 129 G 9.11 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 0.00 130 D 8.01 4.69 0.00 2.61 2.54 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 0.00 131 P 0.00 4.59 0.00 2.15 2.06 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 132 E 8.85 4.70 0.00 1.99 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 0.00 2.37 2.50 0.00 133 I 9.19 4.69 2.09 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 1.33 1.08 0.67 0.00 0.00 134 I 8.43 4.66 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 1.29 0.00 0.00 135 F 9.13 5.24 0.00 2.02 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.02 5.02 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.54 3.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 138 K 7.56 4.74 0.00 1.45 1.54 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.18 7.81 139 K 8.31 4.18 0.00 1.55 1.71 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.45 7.81 140 L 8.27 4.21 0.00 1.55 1.54 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.14 4.12 0.00 2.07 1.77 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.