NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7160 8.4449 120.3928 56.1170 29.8856 170.9749 2 M 4.4002 8.2517 122.3822 54.6402 36.2664 174.3634 3 G 4.2624 9.8598 115.6155 45.5401 0.0000 171.3800 4 H 4.6617 7.4337 114.9058 55.4644 33.1890 172.1195 5 I 4.3502 8.2047 123.2469 59.3786 39.6359 175.1519 6 Q 4.2005 8.2917 124.7259 54.5034 30.3695 174.6848 7 I 4.2585 8.1582 127.6238 58.6371 37.5544 174.1541 8 P 4.3818 0.0000 0.0000 61.6403 31.8390 174.8176 9 P 4.4287 0.0000 0.0000 63.1481 32.3583 175.3518 10 G 4.3903 8.8088 108.2797 46.0891 0.0000 176.0014 11 L 4.0881 7.9975 121.0027 57.8299 41.9589 178.8107 12 T 3.9886 7.8264 115.6924 66.3106 68.4783 176.4398 13 E 4.0693 8.0434 119.9956 59.1545 29.7568 178.4084 14 L 4.0858 7.8607 120.3444 58.5221 42.0017 179.1639 15 L 4.2491 7.9016 118.7329 57.8200 41.5322 179.2089 16 Q 4.1299 8.0648 119.9548 58.9426 28.8813 178.6249 17 G 3.6954 8.5426 107.1828 47.8780 0.0000 175.1324 18 Y 4.0473 7.9567 123.7054 60.2742 38.5022 178.2320 19 T 3.8963 8.2910 116.6196 67.1476 68.5443 175.5536 20 V 3.8097 7.7512 121.1653 64.0864 31.4316 177.3046 21 E 3.8313 8.1973 116.3138 59.7846 29.6127 179.6500 22 V 3.2260 7.4096 118.9014 65.5561 31.3740 177.5175 23 L 4.1950 7.2031 114.3175 55.5616 41.5994 177.7717 24 R 4.2861 7.2207 117.5773 58.1366 31.3418 176.8460 25 Q 3.8815 8.6042 118.8715 56.7823 29.6489 175.3703 26 Q 3.2856 7.4064 115.3985 55.9744 26.0583 171.4003 27 P 4.2962 0.0000 0.0000 61.3624 32.5961 175.9460 28 P 4.3001 0.0000 0.0000 65.1578 31.8263 176.4479 29 D 4.6535 7.7105 118.4350 51.4489 44.0756 175.6842 30 L 4.1935 8.7335 126.6518 58.4507 42.0374 178.2340 31 V 3.8257 8.0421 117.6850 66.4615 31.4920 177.1250 32 D 4.3916 8.1451 116.8951 57.3121 41.0906 178.4201 33 F 4.2869 8.4731 120.9565 61.3924 39.3609 176.8061 34 A 3.4414 8.9642 122.6503 54.3865 17.9185 179.8345 35 V 3.6330 7.4959 116.7118 66.1495 31.5074 178.2078 36 E 4.0141 7.9427 117.9628 59.6975 29.1834 177.9161 37 Y 4.1163 7.8200 120.5196 59.6554 38.3915 177.2374 38 F 4.0348 7.0355 118.0801 61.2180 39.1367 177.8907 39 T 3.8709 7.4232 113.1991 67.0609 68.6509 176.4869 40 R 4.0460 7.6268 119.5959 58.6632 30.0552 178.6225 41 L 3.8142 7.7664 120.6663 57.8792 41.6719 178.7578 42 R 3.8453 7.3515 117.7580 59.7467 30.0135 178.0456 43 E 4.1150 7.8860 116.1608 59.6354 29.5346 177.9352 44 A 3.8898 7.7003 119.7849 53.8690 18.4723 177.8238 45 R 3.8405 7.3042 116.7609 56.4644 31.4055 177.1105 46 R 4.0759 8.5129 118.3411 57.0576 31.0778 175.8674 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 H 8.44 4.72 0.00 3.15 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.25 4.40 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 3 G 9.86 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 0.00 0.00 0.00 0.00 4 H 7.43 4.66 0.00 3.13 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.20 4.35 1.90 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 1.31 0.89 0.95 0.00 0.00 6 Q 8.29 4.20 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 7 I 8.16 4.26 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 1.47 1.00 0.91 0.00 0.00 8 P 0.00 4.38 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 4.43 0.00 2.20 2.09 0.00 3.73 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 1.98 1.95 0.00 10 G 8.81 4.39 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 0.00 11 L 8.00 4.09 0.00 1.71 1.67 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.83 3.99 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 1.23 0.00 0.00 13 E 8.04 4.07 0.00 2.05 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 2.42 2.39 0.00 14 L 7.86 4.09 0.00 1.96 1.72 0.88 0.76 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 15 L 7.90 4.25 0.00 1.84 1.81 0.95 1.21 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 16 Q 8.06 4.13 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 17 G 8.54 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 0.00 0.00 0.00 18 Y 7.96 4.05 0.00 3.27 3.33 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 19 T 8.29 3.90 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 1.21 0.00 0.00 20 V 7.75 3.81 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 21 E 8.20 3.83 0.00 2.22 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 2.29 2.24 0.00 22 V 7.41 3.23 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 0.77 0.00 0.00 0.16 0.00 0.00 23 L 7.20 4.19 0.00 1.76 1.63 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.22 4.29 0.00 1.93 1.84 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 25 Q 8.60 3.88 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.32 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 26 Q 7.41 3.29 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 27 P 0.00 4.30 0.00 1.84 1.21 0.00 3.46 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.00 28 P 0.00 4.30 0.00 2.18 2.19 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 29 D 7.71 4.65 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.19 0.00 1.80 1.76 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.04 3.83 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 1.04 0.00 0.00 1.00 0.00 0.00 32 D 8.15 4.39 0.00 2.89 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 33 F 8.47 4.29 0.00 3.28 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 34 A 8.96 3.44 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 3.63 2.31 0.00 0.00 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 0.00 0.00 1.02 0.00 0.00 36 E 7.94 4.01 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 37 Y 7.82 4.12 0.00 2.06 1.89 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 38 F 7.04 4.03 0.00 3.05 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 39 T 7.42 3.87 4.31 0.00 0.00 0.00 0.00 0.00 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 40 R 7.63 4.05 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 41 L 7.77 3.81 0.00 1.59 1.54 0.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.35 3.85 0.00 2.01 1.93 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 43 E 7.89 4.11 0.00 2.11 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 2.30 0.00 44 A 7.70 3.89 1.24 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 0.00 0.00 0.00 45 R 7.30 3.84 0.00 1.78 1.89 0.00 3.52 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 46 R 8.51 4.08 0.00 1.88 1.83 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00