NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2575 8.2493 123.5815 51.0075 19.0927 176.3065 7 P 4.0634 0.0000 0.0000 62.5715 31.3758 175.2374 8 D 4.7587 9.0529 124.7691 51.9658 43.7537 177.4978 9 F 4.0259 8.8204 119.6487 62.4172 39.1234 177.0768 10 H 4.5267 8.1866 115.0483 58.8619 28.4171 177.3625 11 D 4.3412 8.5495 120.3619 57.0645 40.6815 178.5773 12 K 3.8372 7.5132 117.8082 58.5713 32.5005 178.0931 13 Y 4.7091 7.5913 114.7919 57.5641 38.6313 178.0971 14 G 3.6776 7.9473 108.0779 48.0632 0.0000 175.6408 15 N 4.3446 8.1636 118.7949 55.7565 38.4967 177.2589 16 A 4.0245 7.9455 121.7696 55.1484 18.5718 179.7457 17 V 3.5766 8.0577 117.0433 65.8549 31.5574 177.9565 18 L 3.9587 8.2448 120.0992 58.1620 41.9978 178.9166 19 A 3.9895 8.0587 120.4932 55.5008 18.3334 179.9015 20 S 4.3048 8.5829 114.2761 61.3996 62.7765 177.2211 21 G 3.6836 8.4024 108.4558 47.7227 0.0000 175.6729 22 A 4.0430 8.2982 123.7135 55.1645 18.4493 179.6477 23 T 3.8799 7.9789 114.3011 66.9362 68.5388 176.5792 24 F 4.2956 8.7131 122.6873 61.3342 39.5065 176.6633 25 C 3.9509 8.5120 118.6305 62.5624 31.3437 175.5784 26 V 3.6187 7.9194 119.4963 66.0422 31.0534 177.8427 27 A 4.0223 8.0503 120.6171 55.2270 18.2981 179.9961 28 V 3.5988 7.7806 117.5898 64.3311 31.4876 178.7271 29 W 3.8837 8.2051 119.8313 59.3192 28.7981 178.6468 30 V 3.6618 8.2872 118.6018 66.1036 30.9286 177.3954 31 Y 4.0176 8.2181 119.1850 61.0499 38.5022 177.5393 32 M 3.8530 8.3998 117.7844 58.8307 32.3313 177.7659 33 A 4.7073 8.3950 119.8895 54.2115 18.7569 177.9366 34 T 4.5885 7.6671 104.5630 61.2459 70.2859 174.5590 35 Q 4.4221 8.0692 119.2408 55.4414 29.8989 175.6435 36 I 4.2329 7.7449 109.6635 60.3020 38.2015 175.9657 37 G 3.8830 8.2772 107.9477 45.7386 0.0000 173.8032 38 I 3.5052 7.3751 119.8633 60.7199 37.5119 175.2244 39 E 4.3992 8.1640 125.7838 54.3612 29.5945 175.5585 40 W 4.1506 8.7930 127.2394 57.4062 30.1156 175.8224 41 N 4.1771 8.7301 115.9512 53.8515 36.4253 170.7279 42 P 4.6549 0.0000 0.0000 61.5852 33.4343 176.1307 43 S 4.2191 8.3513 112.7884 57.9813 62.7053 172.5458 44 P 4.3211 0.0000 0.0000 64.8004 31.4960 176.5805 45 V 3.6525 7.4262 118.6386 64.4965 31.3453 176.2460 46 G 4.0435 9.1005 115.3213 45.5565 0.0000 173.5097 47 R 4.4447 8.3421 114.5346 55.7161 31.4816 175.9186 48 V 4.2425 7.6566 117.2636 61.0221 33.1277 174.7260 49 T 4.3310 8.3396 123.9703 61.6926 68.7249 173.0910 50 P 4.4657 0.0000 0.0000 62.4433 32.0726 175.8735 51 K 4.6583 8.1990 121.1420 54.0236 35.3026 175.6552 52 E 3.9419 8.8400 123.7674 57.0127 29.7962 177.1086 53 W 4.7513 7.9845 118.0342 56.6805 30.4907 175.3457 54 R 3.3819 6.7036 122.6802 56.1007 29.3382 175.7063 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 6 A 8.25 4.26 1.28 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 0.00 0.00 0.00 7 P 0.00 4.06 0.00 2.18 2.06 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 8 D 9.05 4.76 0.00 2.99 2.91 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 0.00 9 F 8.82 4.03 0.00 3.30 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 10 H 8.19 4.53 0.00 3.41 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.55 4.34 0.00 2.70 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 12 K 7.51 3.84 0.00 0.79 0.74 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.13 1.31 7.81 13 Y 7.59 4.71 0.00 2.05 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.95 3.68 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 0.00 0.00 0.00 15 N 8.16 4.34 0.00 2.74 2.89 0.00 0.00 6.95 7.25 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 16 A 7.95 4.02 1.42 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 0.00 0.00 0.00 17 V 8.06 3.58 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 1.09 0.00 0.00 1.11 0.00 0.00 18 L 8.24 3.96 0.00 1.91 1.83 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.06 3.99 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 20 S 8.58 4.30 0.00 3.89 3.94 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 0.00 0.00 0.00 21 G 8.40 3.68 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 0.00 0.00 0.00 22 A 8.30 4.04 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 23 T 7.98 3.88 4.48 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 1.28 0.00 0.00 24 F 8.71 4.30 0.00 3.15 3.39 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 25 C 8.51 3.95 0.00 3.24 3.09 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 26 V 7.92 3.62 2.12 0.00 0.00 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 0.94 0.00 0.00 27 A 8.05 4.02 1.42 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 0.00 0.00 0.00 28 V 7.78 3.60 1.59 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 0.58 0.00 0.00 0.72 0.00 0.00 29 W 8.21 3.88 0.00 3.58 3.41 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 30 V 8.29 3.66 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.22 4.02 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 3.85 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.40 4.71 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 4.59 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 1.22 0.00 0.00 35 Q 8.07 4.42 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 36 I 7.74 4.23 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.61 0.00 0.00 37 G 8.28 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 0.00 0.00 0.00 38 I 7.38 3.51 1.63 0.00 0.00 0.62 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 0.40 -0.26 0.00 0.00 39 E 8.16 4.40 0.00 1.83 1.78 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 2.20 2.36 0.00 40 W 8.79 4.15 0.00 3.36 3.28 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 0.00 41 N 8.73 4.18 0.00 2.84 2.91 0.00 0.00 7.22 7.82 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 42 P 0.00 4.65 0.00 2.24 2.11 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 43 S 8.35 4.22 0.00 3.86 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 44 P 0.00 4.32 0.00 2.22 2.09 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.43 3.65 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.10 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 0.00 0.00 0.00 0.00 47 R 8.34 4.44 0.00 1.86 2.00 0.00 3.05 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 48 V 7.66 4.24 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 0.94 0.00 0.00 49 T 8.34 4.33 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 50 P 0.00 4.47 0.00 2.08 2.03 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.20 4.66 0.00 1.69 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 52 E 8.84 3.94 0.00 1.97 1.82 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 2.32 2.25 0.00 53 W 7.98 4.75 0.00 3.52 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 54 R 6.70 3.38 0.00 0.67 1.19 0.00 3.07 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.00