NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2038 8.3044 120.3271 53.9992 34.0579 172.4641 2 I 2.8548 7.7706 123.2085 61.0016 36.6542 168.8010 3 N 4.1235 8.7058 130.0336 53.1487 36.2099 174.0091 4 L 4.6000 7.5858 121.4352 54.7996 41.3461 173.5181 5 P 4.9226 0.0000 0.0000 63.3334 32.5106 176.8849 6 S 4.6579 7.9476 114.8321 57.5316 61.0072 172.5978 7 L 4.6788 7.5907 120.9248 55.2401 43.2464 177.5541 8 F 5.1008 8.1230 118.1937 57.7618 39.4260 176.6971 9 V 4.3756 7.6191 119.2456 62.4582 34.0004 176.1585 10 P 4.1617 0.0000 0.0000 65.3145 31.7625 177.8541 11 L 3.8720 7.6510 119.6406 57.9015 42.3048 178.2289 12 V 3.9168 7.7052 117.5761 63.8226 30.9522 176.8528 13 G 3.9117 6.6211 114.6607 48.0202 0.0000 173.4369 14 L 4.5991 7.2952 117.2630 56.2525 43.8219 178.4217 15 L 3.9397 10.1017 119.3761 58.0938 41.8494 178.8699 16 F 4.1091 8.8327 121.1686 61.0385 39.2769 175.2305 17 P 3.9575 0.0000 0.0000 65.4429 31.0852 177.9401 18 A 3.8976 7.7453 119.4148 55.4957 18.1100 179.3866 19 V 3.3976 7.7022 116.0032 66.4687 31.4742 178.1490 20 A 3.8567 7.2805 119.0812 55.2678 18.2073 179.2089 21 M 3.9647 7.6838 115.6762 56.6064 32.4857 178.4324 22 A 3.9820 9.2456 121.3576 53.3129 16.8982 181.6008 23 S 3.1062 5.8100 113.2917 58.3075 65.8194 173.1516 24 L 4.0781 8.0482 123.9911 57.2399 42.9326 179.5434 25 F 4.5090 9.1523 119.2339 59.3587 38.5910 176.6200 26 L 5.0431 7.4472 120.9129 56.3070 41.9308 177.8555 27 H 4.0137 8.7408 118.5989 59.1845 29.1809 176.1476 28 V 3.4135 6.6965 117.8523 64.2620 31.2496 176.5124 29 E 4.6236 8.0554 116.5042 55.2009 34.1495 175.8596 30 K 4.1906 8.2788 117.9468 57.4331 32.8408 176.0031 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 M 8.30 4.20 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 I 7.77 2.85 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 1.42 0.73 0.91 0.00 0.00 3 N 8.71 4.12 0.00 2.92 2.88 0.00 0.00 7.01 7.85 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 4 L 7.59 4.60 0.00 1.69 1.63 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.92 0.00 2.20 2.16 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 6 S 7.95 4.66 0.00 3.86 3.83 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 7 L 7.59 4.68 0.00 1.62 1.74 0.77 0.76 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 8 F 8.12 5.10 0.00 3.10 3.04 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 9 V 7.62 4.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 10 P 0.00 4.16 0.00 2.18 2.12 0.00 3.76 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 2.10 2.07 0.00 11 L 7.65 3.87 0.00 1.59 1.61 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.71 3.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.05 0.00 0.00 13 G 6.62 3.91 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 0.00 0.00 0.00 14 L 7.30 4.60 0.00 1.70 1.62 0.93 0.48 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 15 L 10.10 3.94 0.00 1.77 1.90 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.83 4.11 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.96 0.00 2.33 2.12 0.00 3.86 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 18 A 7.75 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.40 1.94 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 1.03 0.00 0.00 1.00 0.00 0.00 20 A 7.28 3.86 1.02 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 21 M 7.68 3.96 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 22 A 9.25 3.98 1.18 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 0.00 0.00 23 S 5.81 3.11 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.05 4.08 0.00 1.68 1.93 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.15 4.51 0.00 3.23 3.03 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 0.00 0.00 0.00 26 L 7.45 5.04 0.00 1.64 1.70 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.74 4.01 0.00 3.17 3.29 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 6.70 3.41 0.88 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 0.50 0.00 0.00 0.26 0.00 0.00 29 E 8.06 4.62 0.00 1.95 1.76 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 2.12 2.34 0.00 30 K 8.28 4.19 0.00 1.80 1.70 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.38 7.81