NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5009 8.3049 118.1928 55.1032 32.6191 173.9166 2 L 4.6191 8.1612 117.1863 50.5997 45.6426 174.8941 3 D 4.9917 8.6533 122.6267 51.2436 44.5172 176.4343 4 A 3.8936 8.6491 120.9092 55.4233 18.1298 180.0293 5 F 4.1155 8.0290 115.3741 60.7165 39.1716 177.7925 6 A 4.1034 9.2570 120.6754 54.7783 18.1018 179.6090 7 K 3.8470 8.0805 118.5709 59.7420 32.2744 179.2664 8 V 3.5798 7.3944 117.6610 65.7935 31.3444 178.1912 9 V 3.5201 7.7762 117.5604 65.9557 31.5360 177.8625 10 A 3.9669 8.2523 120.7391 55.3045 18.3380 179.6892 11 Q 3.9307 7.9932 115.9155 58.9707 28.7790 178.7726 12 A 4.0556 8.0067 121.9469 55.0446 18.3244 179.1868 13 D 4.1723 8.3349 116.5520 57.4543 41.1035 178.2571 14 A 3.9888 7.6875 119.7442 54.8307 18.4110 178.9063 15 R 4.3015 7.5426 112.9269 55.3331 30.8112 176.5539 16 G 3.8790 8.2326 107.1689 46.9058 0.0000 173.4814 17 E 4.8082 7.9796 117.1268 53.9176 32.6509 176.4736 18 F 4.3799 8.6974 119.7939 56.5591 40.0643 175.6397 19 L 4.2106 8.2076 122.2505 54.9286 42.1159 177.9489 20 T 4.4710 8.5159 112.9668 60.7498 71.7284 175.6240 21 N 4.5103 8.9101 118.8714 56.7763 38.3835 177.5406 22 A 4.0070 7.9417 121.3389 55.3524 18.7024 179.3466 23 Q 3.9127 7.7024 116.4655 59.2566 28.7616 179.3825 24 F 4.3719 8.1815 118.5446 60.8165 38.9813 177.4692 25 D 4.4491 8.1788 117.8117 57.1632 40.7176 178.6993 26 A 3.9621 8.4120 121.6063 55.3611 18.6181 179.7269 27 L 3.9909 8.0255 117.4114 58.1144 41.6718 180.0410 28 S 4.3110 8.4405 115.1881 61.5785 62.7831 176.5030 29 N 4.3949 8.1805 119.3433 56.1929 38.0650 177.2316 30 L 3.9894 7.6036 118.9917 57.9237 41.9580 179.4838 31 V 3.8955 7.8764 117.5016 66.1662 31.3203 178.2872 32 K 4.0284 7.9696 116.6075 58.7117 31.6584 178.0836 33 E 4.6125 7.9596 117.3372 56.0009 29.6519 177.7714 34 G 3.8510 8.1646 108.6912 48.0800 0.0000 175.4549 35 N 4.3306 8.2792 118.3823 56.2774 38.6189 177.2957 36 K 3.9758 8.0856 118.9828 59.5461 32.2438 179.1849 37 R 3.9598 7.7301 117.6933 59.4766 30.0199 178.6266 38 L 4.0753 8.1903 118.8740 57.7793 41.5122 179.2455 39 D 4.3605 8.3375 118.7738 57.2133 40.7856 178.5992 40 A 4.0207 8.0982 121.3149 55.1325 18.3628 179.8875 41 V 3.5526 7.7565 116.5532 66.0620 31.5731 177.6984 42 N 4.2831 8.2599 116.7178 56.8230 38.6209 176.9183 43 R 3.9346 8.0827 118.2752 59.3614 30.4891 178.9177 44 I 3.9004 7.8644 119.3508 64.7639 37.1913 178.5559 45 T 3.8738 8.0576 116.5974 66.8743 68.1361 176.6186 46 S 4.4332 8.3565 115.2111 60.2355 63.0015 174.6404 47 N 5.0043 7.8662 118.4010 52.3526 39.9254 176.0198 48 A 4.0197 8.0442 123.5626 55.5832 18.3205 180.8000 49 S 4.0768 8.0290 113.1912 62.0333 62.9224 176.9673 50 T 3.9561 7.8409 111.9732 64.7012 68.6750 176.5655 51 I 3.6496 7.8938 122.7100 64.0959 37.0288 178.6298 52 V 3.5351 7.8417 118.7569 65.8706 31.3669 177.8733 53 A 3.9945 8.0204 120.4614 55.3740 18.2697 179.3190 54 N 4.2339 8.4176 114.9348 56.4827 38.5627 177.5855 55 A 3.9216 7.8735 121.4822 54.8495 18.4385 179.6042 56 A 3.4528 8.1972 119.6068 55.2023 18.5827 179.9714 57 R 3.9585 8.2197 116.6964 59.4090 30.1687 179.1502 58 A 3.9324 7.8998 120.3875 54.9729 18.3709 179.2720 59 L 3.7377 7.7199 118.8590 58.5306 42.2407 179.4029 60 F 4.7018 7.6159 117.0218 60.2438 38.5478 177.6186 61 A 4.2021 7.8233 120.0005 54.9643 18.2477 179.0951 62 E 4.2280 8.1366 116.3886 57.7742 31.3059 177.3535 63 Q 4.7435 8.3329 118.2958 53.2582 28.9555 174.3180 64 P 4.6775 0.0000 0.0000 64.1662 32.0956 179.5585 65 Q 4.2443 8.0826 117.4279 58.8582 28.8025 178.4580 66 L 4.1295 7.9515 118.8097 56.8898 41.6770 177.7260 67 I 4.2061 7.3100 108.9235 60.3836 38.5381 175.7992 68 Q 4.0349 7.7737 123.4040 55.0656 29.5814 173.1969 69 P 2.9700 0.0000 0.0000 64.0803 31.5638 176.3206 70 G 4.0650 8.2708 111.4037 45.4640 0.0000 174.7484 71 G 4.3523 8.2975 112.2319 44.5780 0.0000 175.6437 *75 A 4.3137 8.6846 128.2195 51.0564 19.9347 176.6812 76 Y 4.0606 7.5609 117.8896 58.5118 39.6820 175.2510 77 T 3.1622 6.9952 113.6245 61.9815 69.0942 172.6137 78 N 4.2541 8.2982 120.0881 56.3425 38.4912 177.8169 79 R 3.8525 7.7372 119.7829 59.5029 30.2517 178.6615 80 R 3.9545 7.7015 118.0862 59.3173 29.9406 178.6941 81 M 3.9713 8.0421 117.9176 58.5257 32.1295 178.1424 82 A 3.9725 8.3745 121.0792 55.1245 18.5644 179.4681 83 A 3.9561 8.0446 119.3479 55.3259 18.5703 179.4214 84 C 4.1274 8.4826 117.5176 62.7201 31.7032 175.7758 85 L 4.0669 8.2760 120.8447 57.7562 41.1601 179.4638 86 R 3.8923 8.3360 118.8476 59.6301 29.9691 178.1809 87 D 4.4770 8.2993 118.5971 57.7837 40.8565 178.7983 88 M 4.0998 8.0052 118.6148 58.4567 31.9084 178.4993 89 E 3.9660 8.2447 119.4505 59.1436 29.8082 178.8849 90 I 3.6601 8.2203 120.3176 64.4636 37.2519 178.4226 91 I 3.7893 8.1163 120.9154 64.3962 36.9618 178.2410 92 L 3.9518 8.0475 121.1109 57.9672 41.9632 178.8859 93 R 3.4519 7.9826 118.7328 59.7098 29.9824 178.2339 94 Y 3.6296 7.5777 116.2520 60.6958 37.7507 178.7015 95 V 3.3674 7.7396 119.6494 66.0309 31.5692 178.2428 96 T 3.8675 7.6795 109.5685 64.8646 68.5018 176.2014 97 Y 4.3028 7.5154 118.9927 60.9484 37.7919 178.2853 98 A 3.9898 7.8278 123.0551 54.3978 18.0598 179.8124 99 I 3.7239 7.1649 117.6032 64.4615 37.3001 178.0452 100 L 4.1137 7.7839 119.6047 58.2305 42.1718 178.6237 101 A 4.2370 8.3094 120.8114 52.8691 18.0226 178.8676 102 G 4.0217 9.3409 104.5287 45.4265 0.0000 172.6505 103 D 4.7717 7.5160 117.0868 51.7756 44.1639 175.5881 104 S 4.4644 8.7577 119.2740 58.4832 63.4572 176.0005 105 S 4.1074 8.4669 120.1179 62.1248 62.5364 176.9428 106 V 3.6158 7.7583 122.7036 64.0664 31.0471 177.8862 107 L 3.8769 7.7827 120.3990 57.9141 42.0858 178.5345 108 D 4.2815 8.2396 118.9663 57.5746 40.5907 178.6169 109 D 4.3051 8.1875 118.2726 56.8498 40.9967 178.1986 110 R 4.3218 7.6044 115.1955 56.7962 30.7118 175.7358 111 C 4.2690 7.3521 116.4159 60.4867 34.1382 174.7541 112 L 3.9783 8.3714 119.3059 57.3435 41.6985 177.1810 113 N 4.2702 7.8865 117.8184 55.1372 38.9621 174.9928 114 G 4.0038 8.9153 114.1328 45.4173 0.0000 174.4733 115 L 3.6643 7.8014 122.0637 57.9684 42.0411 178.6914 116 R 3.9851 7.9024 118.2196 59.6028 29.9106 178.1888 117 E 4.2351 8.0620 117.7896 59.2566 29.5123 179.3090 118 T 3.8545 7.6330 116.0576 66.9138 68.4805 176.3821 119 Y 4.4782 7.8739 118.6472 61.1895 37.6095 178.6880 120 Q 4.0416 8.1689 118.0221 58.9576 28.9214 178.3459 121 A 4.1604 7.7783 120.5900 55.2071 18.4936 179.3970 122 L 4.2170 7.8825 116.7360 55.9700 41.7799 178.4424 123 G 4.0429 8.4204 106.1536 45.4389 0.0000 173.2283 124 T 4.0296 7.6155 116.3024 62.0157 69.3595 172.8978 125 P 4.4015 0.0000 0.0000 62.0154 30.9501 177.0845 126 G 3.6771 8.8524 113.8278 47.0856 0.0000 173.8545 127 S 4.1526 8.0224 116.0318 61.5321 63.0197 176.6808 128 S 4.1177 7.8525 118.2900 61.1183 62.4974 176.7221 129 V 3.5096 7.5265 120.4656 65.7666 31.2767 177.6523 130 A 3.9941 8.1439 120.6798 55.2445 18.1932 179.7842 131 V 3.4777 7.4898 116.4667 66.0143 31.5840 178.1060 132 A 3.9176 7.8095 120.3832 55.1445 18.1267 179.6842 133 I 3.7252 8.0209 118.4515 64.7643 37.2248 178.6527 134 Q 3.9337 8.2598 118.9030 58.8656 28.6042 179.2330 135 K 3.8881 8.0175 119.4785 59.7658 32.1232 179.3773 136 M 4.0023 7.9258 118.9423 57.8770 31.7940 178.6528 137 K 2.0000 7.5744 119.9619 59.1295 32.4073 178.5566 138 D 4.2379 7.7704 118.7452 57.2568 40.7020 178.8168 139 A 3.9522 7.7907 120.6599 54.8768 18.3205 179.5398 140 A 3.9506 8.2669 119.7326 55.4542 18.3948 180.0153 141 I 3.6849 7.8395 118.1273 64.3374 36.9257 178.4919 142 A 3.9767 7.6167 120.3677 55.1304 18.3224 179.5867 143 I 3.8169 7.7766 117.9895 64.5400 37.0622 178.5494 144 A 3.9627 8.1234 121.6292 54.8482 18.3299 177.6248 145 N 4.7161 8.2537 112.2541 53.2358 38.8673 174.0299 146 D 4.4311 7.6664 117.6341 53.2694 41.1573 174.6971 147 P 4.4104 0.0000 0.0000 64.9305 31.7461 176.6269 148 N 4.4418 8.6633 117.7743 54.1441 38.8734 174.7530 149 G 3.9593 8.9749 108.9697 45.9880 0.0000 173.1319 150 I 4.4315 7.4619 116.1936 59.2176 40.8480 174.0418 151 T 3.9244 8.4545 122.7913 63.1300 68.6986 172.6105 152 P 4.2944 0.0000 0.0000 62.5497 31.8815 175.7981 153 G 3.8563 7.9264 109.9271 45.6427 0.0000 171.6513 154 D 4.7318 8.6906 119.0509 53.1393 41.8841 175.4362 155 C 4.8875 8.4468 123.6012 59.4142 29.3818 176.0293 156 S 4.1151 8.6503 118.5582 61.5691 62.3320 176.1487 157 A 3.9240 7.9309 123.9211 54.7626 18.1640 179.1019 158 L 3.9286 7.9057 118.3142 58.7267 42.1069 178.9721 159 M 4.1188 8.2332 118.5770 58.3575 31.8329 178.7216 160 S 4.0533 8.0288 113.5399 61.1371 62.1278 175.8619 161 E 3.6757 8.1077 122.1135 59.2064 29.4218 178.8406 162 I 3.9333 8.1461 120.0318 64.4509 37.1366 178.2257 163 A 4.3075 8.4674 122.0338 55.1259 18.1516 179.8410 164 G 3.4548 7.8571 104.2046 48.1853 0.0000 175.5471 165 Y 4.3168 7.3539 119.1527 60.7723 37.7836 178.6164 166 F 4.1861 8.1448 118.2099 60.8820 39.0145 177.5248 167 D 4.4189 8.5528 118.5994 57.2424 40.6442 178.9083 168 R 3.8857 8.2095 119.1895 59.3931 29.9011 178.4993 169 A 4.0277 8.0307 119.2269 55.0662 18.6667 179.1229 170 A 4.1259 8.4488 119.3838 55.3529 18.1087 179.7918 171 A 3.9845 8.4587 119.3111 55.0377 18.2443 179.4847 172 A 3.8875 7.9377 117.7869 54.2131 18.4780 179.0473 173 V 4.3207 7.3947 109.7727 62.1506 33.3886 175.7389 174 A 4.1940 8.1265 125.2408 52.3595 18.2686 176.8943 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 1 M 8.30 4.50 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.16 4.62 0.00 1.59 1.55 0.92 0.72 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 3 D 8.65 4.99 0.00 3.18 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 4 A 8.65 3.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.03 4.12 0.00 3.26 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 6 A 9.26 4.10 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 7 K 8.08 3.85 0.00 1.92 1.94 0.00 1.86 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 8 V 7.39 3.58 2.19 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 0.87 0.00 0.00 0.90 0.00 0.00 9 V 7.78 3.52 2.24 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 1.01 0.00 0.00 1.01 0.00 0.00 10 A 8.25 3.97 1.36 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 0.00 0.00 11 Q 7.99 3.93 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 12 A 8.01 4.06 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 13 D 8.33 4.17 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.69 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.54 4.30 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 16 G 8.23 3.88 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 0.00 0.00 0.00 17 E 7.98 4.81 0.00 1.94 1.88 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 2.27 2.44 0.00 18 F 8.70 4.38 0.00 3.00 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 19 L 8.21 4.21 0.00 0.73 0.45 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.52 4.47 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 21 N 8.91 4.51 0.00 2.82 3.01 0.00 0.00 6.71 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 22 A 7.94 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.70 3.91 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 24 F 8.18 4.37 0.00 3.31 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.18 4.45 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.41 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.03 3.99 0.00 1.91 2.07 1.07 0.47 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 28 S 8.44 4.31 0.00 4.16 3.98 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 0.00 29 N 8.18 4.39 0.00 2.96 2.89 0.00 0.00 6.96 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.60 3.99 0.00 1.83 1.70 0.50 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.88 3.90 2.38 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 1.15 0.00 0.00 1.15 0.00 0.00 32 K 7.97 4.03 0.00 1.96 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.84 7.81 33 E 7.96 4.61 0.00 2.17 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 2.45 2.47 0.00 34 G 8.16 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 35 N 8.28 4.33 0.00 2.80 2.92 0.00 0.00 7.11 7.41 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 36 K 8.09 3.98 0.00 1.95 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 37 R 7.73 3.96 0.00 1.97 2.16 0.00 3.17 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 38 L 8.19 4.08 0.00 1.91 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.34 4.36 0.00 2.89 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 40 A 8.10 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.76 3.55 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 1.02 0.00 0.00 1.03 0.00 0.00 42 N 8.26 4.28 0.00 2.90 3.00 0.00 0.00 7.28 7.24 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 43 R 8.08 3.93 0.00 1.88 2.00 0.00 3.24 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 44 I 7.86 3.90 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 1.00 0.00 0.00 45 T 8.06 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 46 S 8.36 4.43 0.00 3.99 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 47 N 7.87 5.00 0.00 2.73 2.75 0.00 0.00 6.71 7.16 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 48 A 8.04 4.02 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.00 3.16 4.02 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 0.87 0.00 0.00 78 N 8.30 4.25 0.00 2.70 2.85 0.00 0.00 6.65 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 79 R 7.74 3.85 0.00 1.84 1.88 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 R 7.70 3.95 0.00 2.00 1.97 0.00 3.22 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 1.66 1.63 0.00 81 M 8.04 3.97 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 82 A 8.37 3.97 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 83 A 8.04 3.96 1.43 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 0.00 0.00 84 C 8.48 4.13 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.02 4.15 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 0.00 128 S 7.85 4.12 0.00 4.02 3.98 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 0.00 129 V 7.53 3.51 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 1.18 0.00 0.00 0.45 0.00 0.00 130 A 8.14 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.49 3.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 132 A 7.81 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.02 3.73 2.10 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 1.63 0.85 1.17 0.00 0.00 134 Q 8.26 3.93 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 135 K 8.02 3.89 0.00 1.91 1.77 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.61 7.81 136 M 7.93 4.00 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 137 K 7.57 2.00 0.00 1.23 1.68 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.10 7.81 138 D 7.77 4.24 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.79 3.95 1.30 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 0.00 0.00 140 A 8.27 3.95 1.43 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 0.00 0.00 141 I 7.84 3.68 1.82 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 1.51 0.79 0.91 0.00 0.00 142 A 7.62 3.98 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 0.00 143 I 7.78 3.82 2.02 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 1.46 0.73 0.96 0.00 0.00 144 A 8.12 3.96 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 0.00 145 N 8.25 4.72 0.00 2.71 2.85 0.00 0.00 7.19 8.89 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 0.00 146 D 7.67 4.43 0.00 2.87 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 0.00 147 P 0.00 4.41 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 148 N 8.66 4.44 0.00 2.87 2.79 0.00 0.00 6.94 7.20 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 0.00 149 G 8.97 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 0.00 150 I 7.46 4.43 1.88 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 1.42 0.65 1.02 0.00 0.00 151 T 8.45 3.92 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 1.22 0.00 0.00 152 P 0.00 4.29 0.00 2.04 1.99 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 153 G 7.93 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 0.00 154 D 8.69 4.73 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 0.00 155 C 8.45 4.89 0.00 3.19 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 0.00 156 S 8.65 4.12 0.00 4.06 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 0.00 157 A 7.93 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.91 3.93 0.00 1.79 1.89 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 159 M 8.23 4.12 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 160 S 8.03 4.05 0.00 3.89 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 0.00 161 E 8.11 3.68 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 162 I 8.15 3.93 2.13 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 1.63 1.14 1.23 0.00 0.00 163 A 8.47 4.31 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 0.00 164 G 7.86 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 0.00 0.00 0.00 165 Y 7.35 4.32 0.00 2.95 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 0.00 166 F 8.14 4.19 0.00 3.28 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 0.00 167 D 8.55 4.42 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.21 3.89 0.00 2.14 2.20 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 169 A 8.03 4.03 1.43 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 0.00 0.00 170 A 8.45 4.13 1.43 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 0.00 0.00 171 A 8.46 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.89 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 0.00 173 V 7.39 4.32 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 1.13 0.00 0.00 174 A 8.13 4.19 1.30 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.