NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3355 8.1233 123.5852 51.7390 20.0025 175.9277 3 T 4.0871 8.3011 116.3600 62.9276 69.4063 172.7525 4 F 4.8170 9.8639 128.2770 56.6700 42.5759 173.8259 5 Q 5.4030 6.9497 122.3191 54.9685 33.0545 173.6675 6 T 4.1631 7.9562 112.6209 62.1968 70.2473 173.0644 7 D 4.9139 9.1994 124.5507 53.9066 42.5963 176.0590 8 A 4.8040 7.5650 121.7956 49.8198 21.0794 176.1729 9 D 4.6951 8.4538 121.2295 55.3994 41.7992 175.4314 10 F 4.7788 7.6678 113.9808 56.7781 41.3069 172.8857 11 L 5.0727 9.1280 119.1600 53.2071 44.7095 175.7493 12 L 5.2694 8.7613 120.5432 53.0882 45.1098 176.0363 13 V 5.3911 8.5003 122.6859 60.5032 34.4997 174.3597 14 G 5.1626 8.6252 113.3792 45.5934 0.0000 171.9121 15 D 4.6278 9.5785 120.0249 55.6470 41.1282 176.8265 16 D 4.6382 8.0643 118.1462 52.2847 41.1895 174.9585 17 T 2.4800 7.6820 117.8265 61.8110 67.9246 176.1439 18 S 4.1153 7.4630 115.0945 61.4628 62.9354 175.4117 19 R 4.6461 7.7554 117.0727 55.8303 31.6312 176.4144 20 Y 4.0986 8.1535 118.0737 61.3317 38.0052 178.6003 21 E 3.9588 8.2262 118.3803 59.2842 29.9991 177.3922 22 E 4.0866 8.2985 118.0054 59.4874 29.7843 180.2800 23 V 3.7316 8.3995 118.1988 62.8731 30.8956 177.6406 *25 K 4.3010 8.1464 121.0708 56.1958 33.6873 177.5161 26 T 3.5207 7.7256 114.6235 65.3745 68.6700 173.8103 27 F 4.7054 7.9144 121.2427 55.5408 39.7641 176.1355 28 D 4.6908 8.8558 125.2952 54.8078 39.6216 176.9677 29 T 4.2975 8.0180 110.2374 62.8320 69.8142 174.1608 30 V 4.1768 7.7827 123.3984 62.6009 31.9170 175.2652 31 E 4.3382 9.2741 129.5255 58.5122 30.6765 175.6355 32 A 4.9202 7.5574 118.5279 50.8784 23.0454 174.4060 33 V 4.7862 8.1375 117.6447 61.6048 35.4054 175.1600 34 R 4.5392 8.1576 123.1096 54.7334 34.3524 174.5445 35 K 3.2225 8.2414 125.6502 55.7870 33.0313 176.2763 36 S 4.3673 8.3300 120.9141 57.7221 63.1424 174.2674 37 D 4.4811 8.4775 126.2307 57.0864 41.0208 177.9730 38 L 4.0872 7.7997 118.2083 57.0555 42.0695 176.7537 39 D 4.5129 7.7789 118.2687 52.7781 43.2189 174.9553 40 D 4.3459 8.9716 127.6559 57.5394 41.1175 178.0818 41 R 4.3698 8.7598 116.4301 56.5705 30.6963 175.4740 42 V 5.0449 8.0548 120.0210 61.6023 33.7901 173.7566 43 Y 5.2199 8.6219 126.5040 55.7669 42.3153 174.4785 *45 V 3.9295 8.2890 121.5928 64.0232 33.0296 175.2434 46 C 4.9905 8.4286 126.2622 58.1927 30.1642 173.1017 47 L 5.0267 8.5966 123.5450 52.9232 43.1452 176.8579 48 K 4.8843 8.8640 122.2571 56.0337 33.3314 176.7135 49 Q 4.1622 8.6480 122.5222 57.5593 29.1243 177.4166 50 G 4.0902 8.9155 110.2746 45.8888 0.0000 174.2018 51 S 4.3972 7.6703 115.0269 58.6810 63.4387 173.5571 52 T 4.7964 8.2244 118.9785 61.7156 70.9569 173.5113 53 F 4.7332 9.1320 130.4983 57.8850 40.6028 174.5674 54 V 4.8358 7.8107 124.7237 59.8958 34.6311 175.0088 55 L 4.4976 9.0603 123.2618 52.9262 44.0730 177.1002 56 N 4.2559 8.9743 123.2038 56.0577 38.7757 177.1427 57 G 3.8507 9.3856 105.9374 44.8950 0.0000 175.0586 58 G 4.0521 7.4538 109.1200 44.6556 0.0000 174.5906 59 I 3.4695 8.1349 117.8638 64.2801 36.8609 177.8936 60 E 3.8761 8.1867 119.7789 59.3593 29.3874 178.4077 61 E 3.9871 8.1455 119.2793 58.9077 29.6547 178.5024 62 L 4.0590 7.9910 120.7487 57.8954 42.1068 179.0513 63 R 3.9571 7.7659 117.7269 58.8462 29.7763 178.7960 64 L 3.9330 7.6919 118.2766 57.8069 41.8152 178.7709 65 L 4.1429 7.7228 117.6652 58.6128 41.7507 179.7181 66 T 4.2221 7.9830 113.9817 64.2015 68.4471 176.0260 67 G 3.8122 7.8775 107.6769 45.5904 0.0000 172.7521 68 D 4.7847 7.7197 119.2472 51.8720 42.1345 176.4520 69 S 4.3514 8.6739 121.8991 60.2269 63.2912 175.1231 70 T 4.2284 8.2051 110.7060 62.0063 69.2511 174.8222 71 L 4.3252 7.5135 125.0886 56.1777 42.6320 176.1257 72 E 4.7565 9.0121 123.5998 54.8655 34.3818 174.0492 73 I 4.8228 8.2214 123.4635 59.9445 39.0205 175.0895 74 Q 4.8222 8.9027 124.7409 52.2196 33.2814 174.9789 75 P 5.3220 0.0000 0.0000 62.1971 30.6691 177.9682 *77 I 3.9299 8.2163 116.1809 60.3837 38.5196 174.5428 78 V 4.5408 7.9981 125.6333 58.6687 33.9814 173.6287 79 P 4.4124 0.0000 0.0000 63.3572 31.9474 176.2143 80 T 4.1301 8.1495 114.2741 62.6261 67.2692 173.1391 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 2 A 8.12 4.34 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 3 T 8.30 4.09 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 1.24 0.00 0.00 4 F 9.86 4.82 0.00 3.11 2.81 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 5 Q 6.95 5.40 0.00 1.71 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 6 T 7.96 4.16 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 1.45 0.00 0.00 7 D 9.20 4.91 0.00 2.68 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 8 A 7.57 4.80 1.29 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 9 D 8.45 4.70 0.00 2.54 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.67 4.78 0.00 3.12 3.05 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 11 L 9.13 5.07 0.00 1.74 1.68 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.76 5.27 0.00 1.69 1.41 0.48 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.50 5.39 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 0.94 0.00 0.00 1.01 0.00 0.00 14 G 8.63 5.16 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 0.00 15 D 9.58 4.63 0.00 2.65 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 16 D 8.06 4.64 0.00 2.56 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 17 T 7.68 2.48 3.91 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 1.14 0.00 0.00 18 S 7.46 4.12 0.00 3.96 3.97 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 0.00 0.00 0.00 19 R 7.76 4.65 0.00 1.92 1.96 0.00 3.16 0.00 0.00 3.52 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 20 Y 8.15 4.10 0.00 2.40 2.53 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 0.00 0.00 0.00 0.00 21 E 8.23 3.96 0.00 2.06 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 0.00 2.39 2.47 0.00 22 E 8.30 4.09 0.00 2.00 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 0.00 2.33 2.33 0.00 23 V 8.40 3.73 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 1.07 0.00 0.00 1.04 0.00 0.00 *25 K 8.15 4.30 0.00 1.99 1.87 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 T 7.73 3.52 4.41 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 0.66 0.00 0.00 27 F 7.91 4.71 0.00 3.35 3.23 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 28 D 8.86 4.69 0.00 2.83 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 29 T 8.02 4.30 4.45 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 1.42 0.00 0.00 30 V 7.78 4.18 2.42 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 0.71 0.00 0.00 0.97 0.00 0.00 31 E 9.27 4.34 0.00 2.21 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 2.28 2.27 0.00 32 A 7.56 4.92 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 33 V 8.14 4.79 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 1.10 0.00 0.00 0.94 0.00 0.00 34 R 8.16 4.54 0.00 1.66 1.66 0.00 3.24 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 35 K 8.24 3.22 0.00 0.99 1.34 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.07 0.74 7.81 36 S 8.33 4.37 0.00 3.85 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 37 D 8.48 4.48 0.00 2.67 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 38 L 7.80 4.09 0.00 1.62 1.71 0.91 0.91 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 39 D 7.78 4.51 0.00 2.62 2.48 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 40 D 8.97 4.35 0.00 2.68 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 41 R 8.76 4.37 0.00 2.01 2.13 0.00 3.19 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 42 V 8.05 5.04 2.20 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 1.11 0.00 0.00 0.98 0.00 0.00 43 Y 8.62 5.22 0.00 3.09 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 *45 V 8.29 3.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.64 0.00 0.00 46 C 8.43 4.99 0.00 2.86 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 47 L 8.60 5.03 0.00 1.55 1.64 1.12 0.82 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 48 K 8.86 4.88 0.00 1.73 1.78 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.52 7.81 49 Q 8.65 4.16 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 50 G 8.92 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 51 S 7.67 4.40 0.00 4.21 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 52 T 8.22 4.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 53 F 9.13 4.73 0.00 3.32 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 54 V 7.81 4.84 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 0.80 0.00 0.00 0.88 0.00 0.00 55 L 9.06 4.50 0.00 1.54 1.57 0.77 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.97 4.26 0.00 2.75 2.87 0.00 0.00 6.92 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 57 G 9.39 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 58 G 7.45 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 0.00 0.00 0.00 59 I 8.13 3.47 1.78 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 0.89 0.25 0.73 0.00 0.00 60 E 8.19 3.88 0.00 2.06 1.94 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 2.37 2.43 0.00 61 E 8.15 3.99 0.00 2.10 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 0.00 2.33 2.37 0.00 62 L 7.99 4.06 0.00 1.68 1.59 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.77 3.96 0.00 2.00 2.07 0.00 3.33 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 64 L 7.69 3.93 0.00 1.84 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.72 4.14 0.00 1.84 1.83 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.98 4.22 4.54 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 1.39 0.00 0.00 67 G 7.88 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 68 D 7.72 4.78 0.00 2.90 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 69 S 8.67 4.35 0.00 4.02 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 70 T 8.21 4.23 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 71 L 7.51 4.33 0.00 1.75 1.63 0.57 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.01 4.76 0.00 1.90 1.75 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 2.42 2.43 0.00 73 I 8.22 4.82 1.58 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.20 0.56 0.00 0.00 74 Q 8.90 4.82 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 75 P 0.00 5.32 0.00 2.22 1.56 0.00 3.83 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 2.02 1.98 0.00 *77 I 8.22 3.93 1.89 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 1.48 0.71 0.92 0.00 0.00 78 V 8.00 4.54 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 0.85 0.00 0.00 0.93 0.00 0.00 79 P 0.00 4.41 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 T 8.15 4.13 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.