NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4463 8.1927 117.0981 57.6947 64.2065 174.0383 6 L 3.6524 8.6272 127.7229 56.5335 41.7618 177.4664 7 L 3.7647 8.0435 121.3214 58.7493 42.5990 178.3942 8 E 3.9874 8.1369 117.6326 61.2368 29.6204 180.5891 9 K 4.0252 8.2043 119.4542 59.7627 32.0680 179.6702 10 V 3.5008 7.4821 116.3423 65.5100 31.5771 177.8165 11 L 3.5824 7.4009 119.0366 57.1017 40.8364 178.9792 12 K 4.1389 8.3862 119.0592 60.1246 31.9000 178.9710 13 E 4.1450 8.0217 116.7461 58.8333 29.6371 178.6647 14 W 4.8681 8.1801 117.2471 55.7583 29.6257 176.2457 15 K 4.3921 7.3930 120.8853 57.7147 32.0685 175.2929 16 G 4.1299 8.6574 115.1766 45.7586 0.0000 173.5225 17 H 4.9310 8.3163 116.1281 53.4917 31.2223 175.0396 18 K 4.3935 8.5365 122.2217 57.5236 33.2856 175.8367 19 V 4.7109 8.7366 118.0104 60.0205 36.2566 173.4721 20 A 5.0276 8.7243 124.8039 50.8004 21.2615 176.1893 21 V 4.5644 8.2869 119.9919 61.0832 34.7848 174.5970 22 S 4.3070 7.7003 124.8430 57.0319 63.8613 173.7216 23 V 4.6198 8.1094 124.3052 59.7888 34.3309 171.9888 24 G 4.1835 8.5545 119.6591 45.5031 0.0000 174.0977 *29 F 5.0008 7.5213 117.3006 57.3999 40.6719 174.2084 30 T 5.0548 8.7283 115.8624 60.5848 71.6248 172.7765 31 G 4.2201 8.3115 112.1260 46.3506 0.0000 171.8753 32 T 4.6523 7.9846 117.0991 63.0303 69.7667 175.2239 33 L 4.7433 9.0143 129.5269 55.3581 40.3461 176.8378 34 E 3.9870 8.7052 124.9674 58.4368 30.3210 175.2228 35 D 4.8008 8.1371 116.8644 54.1475 45.5345 173.1181 36 F 5.1515 7.9883 114.3046 56.7804 39.7625 172.6169 37 D 4.5583 9.0458 121.5059 53.7170 41.2722 176.2414 38 E 4.1276 9.1525 115.9164 59.6894 30.2730 174.1381 39 E 4.6004 8.0332 112.5204 58.0397 31.8827 179.8620 40 V 5.1441 8.2134 111.7773 59.4287 37.1170 174.6250 41 I 5.1208 9.0741 114.5597 59.2204 41.1122 174.0079 42 L 4.9103 9.4497 127.8989 53.6011 44.0301 174.9765 43 L 5.1895 8.4834 125.8349 53.0534 44.6990 175.1917 44 K 4.7099 8.5913 122.7970 55.6907 35.3311 174.3020 45 D 4.8514 8.4633 124.9860 55.1312 38.2526 171.8038 46 V 4.4872 8.4001 123.0485 62.0048 33.8405 175.6430 47 V 5.1280 8.9423 126.3899 59.7615 36.1544 171.0928 48 D 5.2587 9.4362 122.2564 53.3087 44.6706 177.5480 49 V 3.7511 8.6774 118.9510 63.2973 31.6625 178.0192 50 I 4.3160 9.3947 118.4050 61.0291 38.7771 177.0817 51 G 4.0037 7.1330 106.9633 45.9262 0.0000 171.5498 52 N 4.9416 8.4792 119.8503 53.9777 39.2612 174.6969 53 R 4.5545 8.7152 117.1377 56.9416 33.8428 176.1860 54 G 3.9321 7.8736 102.0709 45.3069 0.0000 174.5113 55 K 3.9823 8.4339 122.7502 59.7122 33.0460 176.0608 56 Q 5.1230 7.2606 115.1208 55.1769 31.7889 173.1106 *58 L 4.3968 8.2486 118.1492 55.9289 43.2134 176.7863 59 I 4.5650 8.2635 121.7199 59.9380 41.6778 174.3899 60 G 4.0874 8.6957 113.7410 45.3527 0.0000 174.7998 61 L 4.0849 9.4375 126.8422 58.1752 42.1029 179.9952 62 E 3.9044 8.4685 116.1245 59.5125 29.6902 180.7531 63 D 4.9648 7.8608 116.1292 52.6039 40.2834 176.9897 64 I 4.7215 7.4250 121.0874 60.8527 38.4478 175.7508 65 N 4.5438 8.7516 124.7234 54.9956 39.0731 175.2870 66 W 5.2398 6.9391 113.5410 55.2412 30.9968 173.5741 67 I 5.2949 8.2382 119.7519 58.5627 39.7326 174.5624 *69 L 3.5298 8.0817 121.7499 54.8852 42.3845 176.3054 70 L 4.1862 7.7466 123.2393 54.8692 41.7053 176.2489 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 5 S 8.19 4.45 0.00 3.67 3.83 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 6 L 8.63 3.65 0.00 1.84 1.68 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.04 3.76 0.00 1.70 1.56 0.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.14 3.99 0.00 2.01 1.96 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 2.32 1.99 0.00 9 K 8.20 4.03 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.35 7.81 10 V 7.48 3.50 1.64 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 -0.12 0.00 0.00 0.81 0.00 0.00 11 L 7.40 3.58 0.00 0.89 0.13 0.28 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.39 4.14 0.00 2.15 2.00 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.39 7.81 13 E 8.02 4.15 0.00 2.35 2.26 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 2.43 2.59 0.00 14 W 8.18 4.87 0.00 3.33 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 15 K 7.39 4.39 0.00 2.15 1.88 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.62 1.66 7.81 16 G 8.66 4.13 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 0.00 0.00 0.00 17 H 8.32 4.93 0.00 3.23 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 4.39 0.00 1.85 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 V 8.74 4.71 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 0.79 0.00 0.00 1.13 0.00 0.00 20 A 8.72 5.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.29 4.56 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 0.70 0.00 0.00 1.00 0.00 0.00 22 S 7.70 4.31 0.00 2.72 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 23 V 8.11 4.62 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 0.83 0.00 0.00 0.93 0.00 0.00 24 G 8.55 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 0.00 0.00 0.00 0.00 *29 F 7.52 5.00 0.00 3.04 2.96 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 30 T 8.73 5.05 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 1.27 0.00 0.00 31 G 8.31 4.22 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 0.00 0.00 0.00 32 T 7.98 4.65 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 1.28 0.00 0.00 33 L 9.01 4.74 0.00 1.93 1.75 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.71 3.99 0.00 2.05 2.14 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 2.31 2.33 0.00 35 D 8.14 4.80 0.00 2.82 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 36 F 7.99 5.15 0.00 3.21 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 37 D 9.05 4.56 0.00 2.75 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 38 E 9.15 4.13 0.00 2.01 1.91 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 2.23 1.88 0.00 39 E 8.03 4.60 0.00 1.68 1.96 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 2.17 2.14 0.00 40 V 8.21 5.14 2.17 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 0.68 0.00 0.00 0.98 0.00 0.00 41 I 9.07 5.12 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.96 0.00 0.00 42 L 9.45 4.91 0.00 1.75 1.76 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.48 5.19 0.00 1.66 1.54 0.98 0.53 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 44 K 8.59 4.71 0.00 2.00 1.62 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.38 7.81 45 D 8.46 4.85 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 4.49 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 0.94 0.00 0.00 0.88 0.00 0.00 47 V 8.94 5.13 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 0.68 0.00 0.00 0.93 0.00 0.00 48 D 9.44 5.26 0.00 2.82 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 49 V 8.68 3.75 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 0.81 0.00 0.00 0.93 0.00 0.00 50 I 9.39 4.32 1.95 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 1.23 0.88 0.92 0.00 0.00 51 G 7.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.94 0.00 2.74 2.79 0.00 0.00 6.51 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 53 R 8.72 4.55 0.00 1.78 1.86 0.00 3.45 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.09 0.00 54 G 7.87 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 0.00 0.00 0.00 55 K 8.43 3.98 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.08 7.81 56 Q 7.26 5.12 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 *58 L 8.25 4.40 0.00 1.53 1.63 0.91 0.70 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 59 I 8.26 4.57 1.87 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 1.12 0.61 0.89 0.00 0.00 60 G 8.70 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 0.00 0.00 0.00 61 L 9.44 4.08 0.00 1.68 1.72 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.47 3.90 0.00 1.98 1.91 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 2.24 1.92 0.00 63 D 7.86 4.96 0.00 2.60 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 64 I 7.43 4.72 1.96 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 1.25 1.12 0.91 0.00 0.00 65 N 8.75 4.54 0.00 2.33 2.84 0.00 0.00 6.82 7.22 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 66 W 6.94 5.24 0.00 3.52 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 67 I 8.24 5.29 2.03 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 1.34 1.34 1.26 0.00 0.00 *69 L 8.08 3.53 0.00 0.27 0.14 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.75 4.19 0.00 1.65 1.49 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.