NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4233 8.4293 120.2267 55.8782 29.9191 174.3805 5 P 4.7504 0.0000 0.0000 62.1054 34.2583 173.8934 6 C 4.6567 8.5080 116.7628 57.3359 28.9786 174.2121 *8 E 4.2513 7.6498 121.2930 56.2069 31.5043 177.7756 9 S 4.0310 8.0767 119.8074 61.1304 64.0673 176.5760 10 L 3.5873 7.6902 123.0009 57.4049 41.3534 179.1432 11 V 3.6777 7.1838 118.0695 66.0119 31.5282 178.0460 12 S 4.1541 8.0067 113.4470 61.7270 62.7442 176.2604 13 Q 3.9296 7.5885 121.6605 58.7810 28.0672 178.5464 14 Y 4.2496 7.2640 117.2421 61.2854 37.4624 178.6039 15 F 4.3539 8.3588 117.6457 59.6505 39.1036 177.7785 16 Q 4.1259 8.1842 118.3365 58.8885 28.5992 178.3290 17 T 4.3015 7.6665 117.6128 65.6304 68.4767 177.0448 18 V 2.9351 6.9992 119.2915 65.8990 31.5969 178.2300 19 T 3.9343 7.4021 114.5708 66.5948 68.2845 176.4289 20 D 4.4085 7.7027 120.4125 57.2037 40.7570 178.4007 21 Y 4.6507 7.6058 117.8186 61.1703 37.8909 178.6998 22 G 3.6922 8.2097 106.3111 47.5011 0.0000 175.9170 23 K 4.1180 7.9716 120.6143 59.2540 32.0052 179.1703 24 D 4.6894 8.5032 121.0981 56.8907 40.7614 178.7598 25 L 4.0773 8.2234 119.4266 57.6193 41.6446 179.0943 26 M 4.1108 8.0326 118.4453 58.4803 31.6783 178.0635 27 E 4.0699 8.0975 118.8465 58.9267 29.4884 178.8447 28 K 4.1604 7.6842 117.3516 57.9911 32.2734 178.6777 29 V 4.0872 7.3848 118.6038 63.4140 32.3807 178.0886 30 K 4.2728 8.1611 119.4499 58.9007 31.7340 179.3596 31 S 4.1026 7.8645 114.7638 61.0323 62.7310 174.7799 32 P 4.3493 0.0000 0.0000 63.9075 31.1769 176.0687 33 E 4.4852 7.3944 118.4094 55.9636 29.2267 176.3021 34 L 4.3248 7.2834 118.6725 56.0949 44.4360 174.5029 35 Q 4.1589 8.2402 121.2000 55.5508 29.8990 174.7535 36 A 4.3077 7.9893 124.3857 52.0633 19.1056 178.7535 37 E 3.8376 8.0643 123.2875 59.6501 30.3024 177.1425 38 A 3.6751 7.2405 116.7630 50.9256 20.4768 177.1603 39 K 2.8467 7.3900 118.1172 58.1034 32.8692 179.0136 40 S 4.1216 7.4561 114.0768 61.4957 63.0316 175.7349 41 Y 4.8047 7.2287 119.5217 60.5662 37.3479 178.0102 42 F 4.4902 7.8130 117.9778 60.1309 39.1377 176.5055 43 E 4.4707 8.1023 117.0445 57.8710 29.3179 178.5582 44 K 4.0517 8.5182 119.3175 59.6022 32.1588 179.6490 45 S 4.5061 8.4272 114.2584 60.9645 62.9402 176.1937 46 K 4.0663 7.5805 120.3653 58.7828 31.6308 177.3846 47 E 4.3357 7.9489 117.6135 56.3624 29.6901 176.8652 48 Q 4.5435 7.6731 116.5844 54.7029 31.0119 176.6449 49 L 4.3112 7.7965 119.2119 57.6240 42.5520 178.1889 50 T 4.1978 7.8506 115.5471 65.8850 68.5646 175.3571 51 P 4.3514 0.0000 0.0000 65.1485 31.2365 178.6077 52 L 4.0487 7.8261 117.0547 57.5565 41.7803 178.6764 53 I 3.9115 7.3842 118.7867 63.5272 37.9883 177.8778 54 K 4.0737 7.8183 119.1237 58.7369 31.7973 179.2940 55 K 4.0412 7.9898 118.7413 58.9496 31.8271 178.9141 56 A 4.1391 7.7706 121.6913 54.8146 17.8325 179.9594 57 G 3.4632 7.8454 104.3350 48.3419 0.0000 175.7203 58 T 4.0922 7.6979 113.1036 63.5573 67.8707 175.3392 59 E 3.8555 7.6901 120.5587 59.3427 29.7749 178.3736 60 L 4.1240 8.1842 118.7826 57.7409 41.8103 179.5377 61 V 3.5922 7.5291 117.6845 66.5395 31.2657 178.1566 62 N 4.1535 7.7603 115.3056 56.2542 38.4753 177.3307 63 F 4.5564 7.2805 117.8765 60.6675 39.1521 177.7186 64 L 4.3152 8.5791 119.1356 57.9154 41.3939 179.6348 65 S 4.0537 7.8488 113.1349 61.6220 62.3287 175.8670 66 Y 4.3797 7.4890 119.1402 61.1444 37.0077 178.5413 67 F 4.5534 8.3234 118.9289 60.4949 39.0069 177.9750 68 V 3.7635 7.9676 117.8133 65.7699 31.4371 178.0570 69 E 4.0109 8.3649 118.4257 59.3981 29.2477 178.6748 70 L 4.5234 8.0797 115.4015 55.6057 41.9136 178.1599 71 G 4.0349 7.6658 104.3823 45.3013 0.0000 175.1617 72 T 4.3962 7.8223 116.9874 65.5119 69.4188 176.7350 73 Q 4.0239 7.7156 118.1753 58.8559 28.8466 177.3113 74 P 4.3890 0.0000 0.0000 65.3633 31.4754 178.2408 75 A 4.1608 7.8857 118.6251 55.0787 18.4895 177.3097 76 T 4.0474 7.7752 117.9489 63.9880 68.5362 174.3493 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 4 E 8.43 4.42 0.00 1.97 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 2.21 2.31 0.00 5 P 0.00 4.75 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 6 C 8.51 4.66 0.00 2.95 2.89 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 *8 E 7.65 4.25 0.00 2.00 1.81 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 2.29 2.24 0.00 9 S 8.08 4.03 0.00 3.99 4.08 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 10 L 7.69 3.59 0.00 1.58 1.39 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.18 3.68 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 1.17 0.00 0.00 1.00 0.00 0.00 12 S 8.01 4.15 0.00 4.06 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 13 Q 7.59 3.93 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 14 Y 7.26 4.25 0.00 2.82 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 15 F 8.36 4.35 0.00 3.16 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 16 Q 8.18 4.13 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 17 T 7.67 4.30 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 0.96 0.00 0.00 18 V 7.00 2.94 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 1.15 0.00 0.00 0.85 0.00 0.00 19 T 7.40 3.93 4.37 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 1.21 0.00 0.00 20 D 7.70 4.41 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 21 Y 7.61 4.65 0.00 3.21 2.90 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 22 G 8.21 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 0.00 0.00 0.00 23 K 7.97 4.12 0.00 2.06 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.74 7.81 24 D 8.50 4.69 0.00 2.87 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 25 L 8.22 4.08 0.00 1.73 1.73 0.94 0.68 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 26 M 8.03 4.11 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 27 E 8.10 4.07 0.00 2.29 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 2.62 0.00 28 K 7.68 4.16 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 29 V 7.38 4.09 2.09 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 0.86 0.00 0.00 0.93 0.00 0.00 30 K 8.16 4.27 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.66 7.81 31 S 7.86 4.10 0.00 3.99 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 32 P 0.00 4.35 0.00 2.21 2.18 0.00 3.67 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 2.11 2.03 0.00 33 E 7.39 4.49 0.00 2.08 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 2.31 2.42 0.00 34 L 7.28 4.32 0.00 1.64 1.68 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.24 4.16 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.60 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 36 A 7.99 4.31 1.15 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 0.00 0.00 37 E 8.06 3.84 0.00 2.01 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 2.23 2.29 0.00 38 A 7.24 3.68 1.27 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 0.00 0.00 39 K 7.39 2.85 0.00 1.49 1.53 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 0.91 7.81 40 S 7.46 4.12 0.00 3.97 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 41 Y 7.23 4.80 0.00 3.30 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 42 F 7.81 4.49 0.00 3.17 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 43 E 8.10 4.47 0.00 2.21 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 0.00 2.40 2.48 0.00 44 K 8.52 4.05 0.00 1.98 1.97 0.00 2.11 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.78 7.81 45 S 8.43 4.51 0.00 4.08 4.16 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 46 K 7.58 4.07 0.00 2.08 1.99 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 E 7.95 4.34 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 48 Q 7.67 4.54 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 49 L 7.80 4.31 0.00 1.89 1.82 0.92 0.85 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 50 T 7.85 4.20 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 1.21 0.00 0.00 51 P 0.00 4.35 0.00 2.16 2.09 0.00 3.67 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 2.27 2.17 0.00 52 L 7.83 4.05 0.00 1.62 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.38 3.91 1.87 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 1.52 1.35 1.02 0.00 0.00 54 K 7.82 4.07 0.00 2.09 1.83 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 K 7.99 4.04 0.00 2.07 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.71 7.81 56 A 7.77 4.14 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 57 G 7.85 3.46 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 0.00 0.00 0.00 0.00 58 T 7.70 4.09 4.19 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 1.20 0.00 0.00 59 E 7.69 3.86 0.00 2.11 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 2.26 2.49 0.00 60 L 8.18 4.12 0.00 1.68 1.74 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.53 3.59 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 0.98 0.00 0.00 0.93 0.00 0.00 62 N 7.76 4.15 0.00 2.42 2.74 0.00 0.00 7.16 8.13 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 63 F 7.28 4.56 0.00 3.36 2.93 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 64 L 8.58 4.32 0.00 1.91 1.81 1.18 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.85 4.05 0.00 3.78 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 66 Y 7.49 4.38 0.00 2.98 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.32 4.55 0.00 3.34 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 68 V 7.97 3.76 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 1.06 0.00 0.00 1.08 0.00 0.00 69 E 8.36 4.01 0.00 2.34 2.05 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 2.34 2.58 0.00 70 L 8.08 4.52 0.00 1.82 1.79 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.67 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 0.00 0.00 0.00 72 T 7.82 4.40 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 1.23 0.00 0.00 73 Q 7.72 4.02 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 74 P 0.00 4.39 0.00 2.04 2.13 0.00 3.71 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 2.23 2.17 0.00 75 A 7.89 4.16 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 76 T 7.78 4.05 4.36 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.