NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0173 8.3544 109.7367 45.1540 0.0000 174.3145 2 I 3.8935 7.3360 117.8172 60.5530 40.1727 171.6873 3 V 3.4840 7.6703 119.4821 65.9521 32.1992 176.9713 4 E 3.4619 8.0316 118.0771 58.6940 29.5479 177.9105 5 Q 4.1931 7.8406 118.2139 58.3242 29.7740 177.1125 6 C 4.7248 8.2915 116.3989 57.8306 41.2279 174.7549 7 C 4.2174 8.6601 119.4086 60.3748 31.2106 174.7825 8 T 4.2653 7.6148 110.1710 64.7397 69.3298 177.5209 9 S 4.4864 7.8367 116.8404 56.5147 64.1011 170.8695 10 I 3.3013 7.7216 127.6735 60.9445 37.5659 173.4577 11 C 4.7248 8.4247 120.9630 55.7955 37.2231 173.8213 12 S 4.6112 8.1716 116.6768 57.6311 64.5430 175.2819 13 L 3.8562 8.2348 124.4005 58.7419 42.0147 178.4396 14 Y 4.2095 7.6183 116.0857 61.1287 37.4236 178.0842 15 Q 4.0655 8.2778 118.5455 59.0463 28.7989 178.8312 16 L 4.4543 7.9044 120.0316 57.6534 41.6012 179.2244 17 E 4.0372 8.1518 118.8091 59.3525 29.0984 178.9413 18 N 4.2803 7.4879 114.7404 55.6994 38.4445 175.3161 19 Y 4.6269 6.9909 115.7778 57.8133 38.1690 175.2073 20 C 4.4380 8.0475 121.0498 58.7632 32.5689 173.0465 21 N 4.5226 8.5475 120.9799 53.7815 38.5680 174.7727 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 G 8.35 4.02 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 0.00 0.00 0.00 2 I 7.34 3.89 0.79 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.63 0.00 0.00 3 V 7.67 3.48 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 0.88 0.00 0.00 0.85 0.00 0.00 4 E 8.03 3.46 0.00 1.98 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 2.29 2.36 0.00 5 Q 7.84 4.19 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 C 8.29 4.72 0.00 2.94 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 7 C 8.66 4.22 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.27 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 1.25 0.00 0.00 9 S 7.84 4.49 0.00 3.84 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 10 I 7.72 3.30 1.88 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 1.30 0.22 0.92 0.00 0.00 11 C 8.42 4.72 0.00 3.02 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 12 S 8.17 4.61 0.00 3.98 3.89 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 13 L 8.23 3.86 0.00 1.43 1.12 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.62 4.21 0.00 3.13 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 15 Q 8.28 4.07 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 16 L 7.90 4.45 0.00 1.82 1.80 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.15 4.04 0.00 2.29 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 2.33 2.33 0.00 18 N 7.49 4.28 0.00 1.88 2.44 0.00 0.00 6.75 7.26 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 19 Y 6.99 4.63 0.00 3.09 2.99 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 20 C 8.05 4.44 0.00 2.98 2.84 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 0.00 0.00 0.00 21 N 8.55 4.52 0.00 2.72 2.68 0.00 0.00 6.88 7.57 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