NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9767 8.0544 120.3884 62.6777 32.1359 174.3076 2 Q 4.1873 8.5399 129.1595 54.7201 29.9463 174.0068 3 C 4.9482 9.1411 122.9176 54.0667 42.7208 171.5159 4 P 4.3800 0.0000 0.0000 62.6400 31.8380 177.5681 5 H 4.3725 8.7791 117.0753 59.3277 28.5412 177.9358 6 F 4.1149 8.4365 115.8266 60.5414 36.9406 178.0066 7 C 4.1294 6.7967 115.4083 59.2449 39.8084 174.5157 8 Y 4.5861 7.9201 116.8989 58.8244 39.0816 177.7789 9 E 4.2130 8.2526 118.5492 58.6211 30.0002 177.3825 10 L 4.2730 7.0835 116.7026 54.7380 42.1822 177.3111 11 D 4.4653 8.4091 119.3112 57.5059 41.1439 176.5402 12 Y 4.4673 7.7004 120.0770 56.9939 39.7446 174.9308 13 E 4.2016 7.8395 125.3750 55.4228 29.3450 176.3821 14 L 4.2095 8.3679 123.8724 55.4972 42.5085 177.9626 15 C 4.6528 7.6419 116.1234 54.7510 40.1006 171.6160 16 P 4.5328 0.0000 0.0000 62.5781 31.7713 177.4749 17 D 4.5461 8.8054 120.0973 57.6130 40.8163 179.3818 18 V 3.7324 7.7847 116.9462 64.1187 31.1692 177.4335 19 C 4.3308 7.6600 116.9658 57.9403 40.5879 173.2374 20 Y 4.9985 7.8259 116.8144 56.9645 39.6068 175.8861 21 V 3.6973 8.5350 120.6056 63.6250 32.5723 172.1381 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 V 8.05 3.98 2.04 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 0.90 0.00 0.00 0.90 0.00 0.00 2 Q 8.54 4.19 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 3 C 9.14 4.95 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 4.38 0.00 1.07 1.81 0.00 3.11 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 1.86 1.97 0.00 5 H 8.78 4.37 0.00 3.25 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.44 4.11 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 6.80 4.13 0.00 1.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.59 0.00 2.93 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 9 E 8.25 4.21 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 10 L 7.08 4.27 0.00 1.83 1.72 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.41 4.47 0.00 2.74 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 12 Y 7.70 4.47 0.00 2.81 2.88 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 13 E 7.84 4.20 0.00 1.48 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 1.91 2.01 0.00 14 L 8.37 4.21 0.00 1.82 1.80 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.64 4.65 0.00 2.53 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.08 1.94 0.00 3.45 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 17 D 8.81 4.55 0.00 2.76 2.78 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 0.00 0.00 0.00 18 V 7.78 3.73 2.04 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 0.63 0.00 0.00 0.90 0.00 0.00 19 C 7.66 4.33 0.00 1.95 2.51 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 20 Y 7.83 5.00 0.00 2.96 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 21 V 8.54 3.70 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 0.74 0.00 0.00 0.98 0.00 0.00