NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8700 8.3549 109.7364 45.1137 0.0000 173.9346 2 R 4.2813 8.2125 120.5307 53.6061 31.5877 173.5065 3 Q 4.5231 8.9672 124.6552 53.4807 33.1204 174.0549 4 F 4.2144 8.5698 122.8868 58.9136 39.4012 174.9630 5 G 4.1680 9.1557 113.0978 46.1535 0.0000 173.9863 6 H 5.0320 8.1996 115.2766 55.6229 30.0732 175.0807 7 L 4.0526 8.1207 119.9272 56.6978 41.8170 176.9726 8 T 4.2617 7.2125 108.8314 61.7103 70.0555 171.5616 9 R 4.4893 8.4005 123.0178 54.5877 31.0828 175.4522 10 V 4.4831 8.1588 123.8915 61.1190 34.5524 174.5225 11 R 4.4841 7.8803 124.2856 55.8060 33.6847 174.3071 12 H 4.1138 8.6731 116.0852 57.0051 26.1365 174.6157 13 V 4.3480 7.8857 118.1183 61.0178 33.2862 174.4370 14 I 4.3607 8.1919 127.4263 59.6485 39.2412 175.0408 15 T 4.4639 7.9377 120.0000 61.8273 71.3100 172.8351 16 Y 4.7732 8.5347 123.6253 56.3257 40.1600 175.2641 17 S 4.8020 8.4565 118.6623 56.8646 67.2120 173.1564 18 L 4.8353 8.0715 121.2823 52.5690 44.5538 176.7738 19 S 4.3078 8.3887 116.1775 57.4790 63.3309 173.5521 20 P 4.2135 0.0000 0.0000 65.3595 31.1681 178.1031 21 F 4.3892 7.8661 116.6782 59.2313 38.9985 175.9452 22 E 4.4273 8.1266 118.9931 56.4416 29.8888 175.3602 23 Q 4.6977 7.3149 114.4564 53.7981 31.7827 175.0012 24 R 4.2197 8.2528 116.7708 55.7231 30.8924 177.0201 25 A 4.0155 8.4078 123.4630 53.5360 19.6470 177.7104 26 F 4.8970 7.6296 113.2506 55.7958 39.4567 174.0980 27 P 4.2550 0.0000 0.0000 64.3390 32.3506 176.5478 28 H 4.2602 8.8477 119.9887 54.9975 26.9090 176.0412 29 Y 4.0809 8.2753 120.4761 61.0030 39.1490 178.0555 30 F 4.3640 8.1679 117.4221 59.9574 39.8281 178.1302 31 S 4.2466 8.4395 114.8553 60.6139 62.8415 175.8567 32 K 4.3438 8.3066 118.9961 56.7066 34.2336 178.7773 33 G 3.7941 7.9810 106.8966 47.2241 0.0000 175.5170 34 I 3.6882 7.4683 122.3206 63.7169 37.1206 176.5853 35 P 4.2656 0.0000 0.0000 65.8187 31.0463 178.1746 36 N 4.2763 8.0110 115.4035 56.4434 38.8363 177.2001 37 V 3.5387 8.0034 120.0656 65.9403 31.5804 177.8852 38 L 3.9689 8.2746 119.1592 57.7918 41.3853 179.5052 39 R 3.8574 8.1906 118.5924 59.6302 29.7427 178.7275 40 R 3.9116 8.2004 117.9916 59.5466 30.0521 179.2227 41 T 3.8938 8.3649 115.8440 66.7628 68.2515 176.9841 42 R 3.9232 8.0719 118.6753 59.2156 30.1908 178.7210 43 A 4.1289 8.2159 119.9619 54.5266 18.5151 178.4292 44 C 4.4804 7.7625 111.7783 59.6927 30.8812 176.2444 45 I 3.6356 7.6872 122.5859 64.6160 36.5186 177.9517 46 L 4.1094 7.9166 117.4093 57.2295 41.5081 178.8641 47 R 4.2707 8.3828 117.6128 57.8954 30.5628 178.5788 48 V 3.9389 7.6496 116.4599 65.5939 32.2611 177.4112 49 A 4.3295 8.0836 120.3887 54.8134 18.2022 177.4278 50 P 4.2282 0.0000 0.0000 65.7455 31.4428 176.8286 51 P 4.1820 0.0000 0.0000 65.6669 31.1643 178.5915 52 F 4.4088 7.9712 115.9141 60.0571 38.8819 177.9433 53 V 3.7890 8.0560 118.2054 65.7691 31.3359 177.8781 54 A 4.0295 8.4887 121.0356 55.1234 18.1831 179.1912 55 F 4.1255 8.4391 119.1659 61.7073 39.4554 176.5638 56 Y 3.9188 8.3428 118.9358 60.7268 38.5479 178.2208 57 L 3.9320 8.3489 119.9613 57.8983 41.7089 179.6884 58 V 3.6643 8.2065 118.5762 65.9761 31.4040 177.3847 59 Y 3.7699 8.2021 119.9725 60.8428 38.6400 178.2318 60 T 3.4209 7.8929 111.0888 64.2153 68.7014 176.2288 61 W 3.9915 8.5194 131.7847 60.1287 30.8030 178.2549 62 G 3.2878 8.4169 105.9169 47.9364 0.0000 175.8310 63 T 3.7250 7.4372 118.0956 66.3238 68.3038 176.8950 64 Q 3.7890 7.7065 119.9008 58.9020 28.8736 178.2925 65 E 3.5160 7.6144 120.4196 58.9795 29.1483 178.7712 66 F 4.1123 7.6181 119.8128 61.2028 39.7827 176.7115 67 E 3.7385 7.9269 118.0255 59.3618 29.2875 179.2475 68 K 3.7803 8.0171 118.8841 59.6913 31.9591 179.1745 69 S 4.2298 7.5883 111.7321 60.0530 63.0448 175.4183 70 K 4.2453 7.7021 121.6041 55.2803 32.2579 175.7071 71 R 4.6581 6.8426 115.0910 53.5542 32.3773 176.1897 72 K 3.9189 8.7368 117.5018 59.1644 31.9210 177.6264 73 N 4.7290 7.6119 120.2292 50.3680 38.9253 170.6431 74 P 4.0214 0.0000 0.0000 62.2085 31.8711 176.6960 *75 A 4.1104 8.5340 125.4192 52.4123 18.7843 175.8860 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 G 8.35 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 2 R 8.21 4.28 0.00 1.77 1.76 0.00 3.11 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 3 Q 8.97 4.52 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 F 8.57 4.21 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.16 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 0.00 0.00 0.00 6 H 8.20 5.03 0.00 3.20 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.12 4.05 0.00 1.61 1.66 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.21 4.26 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 1.21 0.00 0.00 9 R 8.40 4.49 0.00 1.80 1.80 0.00 3.23 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 1.58 0.00 10 V 8.16 4.48 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 0.88 0.00 0.00 0.93 0.00 0.00 11 R 7.88 4.48 0.00 1.58 1.22 0.00 3.37 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 12 H 8.67 4.11 0.00 3.32 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 4.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 14 I 8.19 4.36 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.21 0.00 0.00 15 T 7.94 4.46 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 1.18 0.00 0.00 16 Y 8.53 4.77 0.00 2.90 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 17 S 8.46 4.80 0.00 3.80 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 18 L 8.07 4.84 0.00 1.60 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.39 4.31 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 1.87 2.11 0.00 3.75 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 1.65 1.80 0.00 21 F 7.87 4.39 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.13 4.43 0.00 2.09 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 2.37 2.42 0.00 23 Q 7.31 4.70 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 24 R 8.25 4.22 0.00 1.81 1.91 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 25 A 8.41 4.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.63 4.90 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.16 2.04 0.00 3.95 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 H 8.85 4.26 0.00 3.37 3.38 0.00 5.94 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.28 4.08 0.00 3.11 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 30 F 8.17 4.36 0.00 3.22 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 31 S 8.44 4.25 0.00 4.04 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 32 K 8.31 4.34 0.00 2.01 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.31 7.81 33 G 7.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.47 3.69 1.90 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 1.85 0.92 0.93 0.00 0.00 35 P 0.00 4.27 0.00 2.14 2.11 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 36 N 8.01 4.28 0.00 2.92 2.88 0.00 0.00 6.85 8.99 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 37 V 8.00 3.54 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 0.94 0.00 0.00 0.96 0.00 0.00 38 L 8.27 3.97 0.00 1.84 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.19 3.86 0.00 1.95 2.08 0.00 3.10 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 1.67 0.00 40 R 8.20 3.91 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 41 T 8.36 3.89 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 1.21 0.00 0.00 42 R 8.07 3.92 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 43 A 8.22 4.13 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 44 C 7.76 4.48 0.00 3.16 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 45 I 7.69 3.64 1.98 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 1.63 1.14 0.93 0.00 0.00 46 L 7.92 4.11 0.00 1.61 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.38 4.27 0.00 1.85 1.99 0.00 3.35 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 48 V 7.65 3.94 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 1.02 0.00 0.00 1.03 0.00 0.00 49 A 8.08 4.33 1.44 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 0.00 0.00 50 P 0.00 4.23 0.00 2.18 2.17 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 51 P 0.00 4.18 0.00 1.63 1.89 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 52 F 7.97 4.41 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.06 3.79 2.34 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 1.19 0.00 0.00 1.04 0.00 0.00 54 A 8.49 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 55 F 8.44 4.13 0.00 3.24 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.34 3.92 0.00 3.29 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 57 L 8.35 3.93 0.00 1.90 1.74 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.21 3.66 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 1.14 0.00 0.00 0.99 0.00 0.00 59 Y 8.20 3.77 0.00 2.14 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 60 T 7.89 3.42 4.03 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 0.48 0.00 0.00 61 W 8.52 3.99 0.00 3.40 3.27 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 0.00 62 G 8.42 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 0.00 0.00 0.00 63 T 7.44 3.72 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 1.06 0.00 0.00 64 Q 7.71 3.79 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 65 E 7.61 3.52 0.00 1.16 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 1.67 2.06 0.00 66 F 7.62 4.11 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.93 3.74 0.00 1.92 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 2.57 2.39 0.00 68 K 8.02 3.78 0.00 1.77 1.78 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.52 7.81 69 S 7.59 4.23 0.00 3.97 4.03 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 70 K 7.70 4.25 0.00 1.52 1.66 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 0.88 7.81 71 R 6.84 4.66 0.00 1.80 1.81 0.00 3.01 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 72 K 8.74 3.92 0.00 1.73 1.90 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.41 7.81 73 N 7.61 4.73 0.00 2.61 2.68 0.00 0.00 6.98 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 74 P 0.00 4.02 0.00 2.04 2.01 0.00 3.73 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 1.98 2.28 0.00 *75 A 8.53 4.11 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 * Residues marked with a * may have inaccurate shift predictions.