NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2197 8.1749 117.3595 63.2607 70.9322 175.2021 2 P 3.4104 0.0000 0.0000 66.1626 29.0373 177.4987 3 Y 3.7646 5.6780 112.3067 59.0454 35.6223 172.7772 4 P 3.0974 0.0000 0.0000 61.7975 29.7745 178.3079 5 V 3.7383 6.8935 114.6350 62.3072 31.4772 176.0269 6 N 5.1635 8.3196 124.0891 52.8621 40.6377 172.9776 7 C 4.9445 8.6439 117.1465 54.0961 43.8993 174.5230 8 K 3.8863 9.9648 124.7188 59.4497 32.0693 176.3854 9 T 4.2180 7.2560 110.8550 60.3815 70.3113 172.8811 10 D 4.3556 8.5795 121.7148 57.6759 40.5333 178.7424 11 R 3.8560 8.1618 118.4898 59.6992 29.6646 177.1279 12 D 4.6166 8.0657 115.4705 55.8272 41.4423 175.5263 13 C 4.9980 8.3048 114.5616 56.5767 42.1691 175.8806 14 V 3.7378 7.8653 121.5931 64.5300 30.8012 178.4048 15 M 4.0283 8.0597 116.3493 57.9634 30.9689 178.1981 16 C 4.3946 8.5198 116.8576 58.2844 40.3395 174.6875 17 G 4.1722 6.7689 116.1185 44.7694 0.0000 174.1422 18 L 4.2213 8.0145 118.3102 54.5834 42.8454 178.0851 19 G 3.7391 8.7874 105.0169 44.2843 0.0000 173.8850 20 I 3.4618 7.6750 120.2524 60.2088 34.6356 173.9199 21 S 4.6004 7.5969 116.9001 57.5979 64.6468 174.4758 22 C 5.2094 9.5152 122.1636 54.9063 45.3327 173.2791 23 K 4.5574 8.6153 126.9331 55.0201 33.2803 174.1694 24 N 4.4563 8.4156 122.9936 51.0200 39.0203 173.7157 25 G 4.4275 7.2637 118.5684 45.8748 0.0000 169.7327 26 Y 5.3377 8.0002 119.8042 55.6700 41.3188 174.8143 27 C 5.1292 9.2537 121.6817 56.7131 41.5176 172.9669 28 Q 4.5714 9.0473 118.9826 56.0715 30.8240 176.8967 29 G 4.1143 9.5247 112.0575 45.0702 0.0000 174.2878 30 C 4.2294 8.2559 119.6108 59.3069 43.7588 173.2871 31 T 4.1368 7.5534 117.0646 62.1211 67.2540 172.9226 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 T 8.17 4.22 4.15 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 1.14 0.00 0.00 2 P 0.00 3.41 0.00 2.08 1.86 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 3 Y 5.68 3.76 0.00 3.10 3.32 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 0.00 4 P 0.00 3.10 0.00 1.89 1.87 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 5 V 6.89 3.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.06 0.00 0.00 6 N 8.32 5.16 0.00 2.74 2.63 0.00 0.00 6.99 7.65 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 7 C 8.64 4.94 0.00 3.18 3.02 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 0.00 0.00 0.00 8 K 9.96 3.89 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 9 T 7.26 4.22 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 1.22 0.00 0.00 10 D 8.58 4.36 0.00 2.81 2.72 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 0.00 0.00 0.00 0.00 11 R 8.16 3.86 0.00 1.84 1.95 0.00 3.34 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 12 D 8.07 4.62 0.00 2.76 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 13 C 8.30 5.00 0.00 3.22 3.01 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 0.00 0.00 0.00 0.00 14 V 7.87 3.74 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 0.89 0.00 0.00 0.98 0.00 0.00 15 M 8.06 4.03 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 16 C 8.52 4.39 0.00 3.16 3.19 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 17 G 6.77 4.17 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 0.00 0.00 0.00 18 L 8.01 4.22 0.00 1.69 1.32 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.79 3.74 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 0.00 0.00 0.00 20 I 7.68 3.46 2.05 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 1.10 1.28 0.95 0.00 0.00 21 S 7.60 4.60 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.52 5.21 0.00 2.99 3.25 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 0.00 23 K 8.62 4.56 0.00 1.90 1.70 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.42 7.81 24 N 8.42 4.46 0.00 2.70 2.87 0.00 0.00 6.96 7.67 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 25 G 7.26 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 5.34 0.00 2.73 2.83 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 27 C 9.25 5.13 0.00 2.85 3.18 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 28 Q 9.05 4.57 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 5.66 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 29 G 9.52 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 0.00 0.00 0.00 30 C 8.26 4.23 0.00 2.95 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 31 T 7.55 4.14 4.15 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 1.01 0.00 0.00