NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0654 8.0544 120.4186 62.7323 32.5137 174.1253 7 D 4.7176 8.7898 126.9353 52.5738 42.8605 174.4997 8 C 4.8141 8.5605 123.5743 56.7813 41.4578 175.1790 9 S 4.0195 8.5272 117.7257 61.4089 62.4379 174.6575 10 E 4.3530 8.3046 119.4970 56.1627 28.9886 174.7844 11 Y 4.4744 7.8031 114.8678 54.6484 40.7253 173.5065 12 P 4.8844 0.0000 0.0000 62.3488 32.0091 175.5418 13 K 4.5618 9.1142 117.5148 53.7287 34.9532 176.2583 14 P 4.3593 0.0000 0.0000 64.8558 31.6902 176.1592 15 A 4.7523 7.3057 120.9971 50.8237 22.2496 174.5768 16 C 5.1238 8.4507 117.3909 54.9928 43.7548 174.4859 17 T 4.3433 8.4006 113.0386 61.6800 69.3475 173.9619 18 K 4.6982 8.2245 119.5141 55.8735 32.9133 176.6762 19 E 4.3174 8.2433 115.6113 55.8639 30.9098 175.0240 20 Y 4.8697 8.3935 120.9492 56.3878 39.7939 176.1746 21 R 4.5920 8.4853 127.5451 54.0208 32.8240 172.7005 22 P 4.6232 0.0000 0.0000 62.5871 33.1097 175.6107 23 L 5.0044 8.8307 120.5729 53.1174 46.3437 174.5297 24 C 4.8892 8.7580 122.8650 54.9481 44.8077 173.6670 25 G 4.6138 8.9740 114.2896 45.3265 0.0000 174.5116 26 S 4.4408 9.0410 115.1916 59.9681 63.0832 174.6866 27 D 4.6552 8.1266 119.8825 52.9457 39.3829 176.3033 28 N 4.2487 8.0630 114.8713 54.0999 36.9372 173.3682 29 K 4.4078 8.1193 120.6291 55.2444 34.0373 175.6309 30 T 4.6326 8.3226 124.2074 63.5579 69.3343 173.4390 31 Y 4.3399 9.3380 125.2654 56.1889 39.4389 177.4036 32 G 3.6982 9.0538 113.3601 48.6540 0.0000 172.4393 33 N 5.2818 7.6769 116.7280 51.5210 40.9364 175.0510 34 K 3.9264 8.5563 121.1171 59.8318 32.1095 179.0763 35 C 4.5568 8.2100 119.5735 59.2728 41.7873 175.1308 36 N 4.3650 8.9033 118.4291 56.1801 38.1059 177.0809 37 F 3.4529 8.3651 121.9931 61.5334 39.5293 176.6011 38 C 3.6446 8.2613 116.3297 59.7844 40.1032 175.9712 39 N 4.2528 8.0280 117.9305 56.0520 38.1005 177.3670 40 A 3.8499 7.6005 122.4203 54.8102 18.3600 179.7780 41 V 3.1599 7.1367 116.8372 65.9932 31.4420 178.4100 42 V 3.4948 7.5101 117.8490 66.0703 31.1703 177.6398 43 E 3.9238 8.1711 118.1083 58.6802 29.6696 177.8701 44 S 4.4065 7.9282 112.6896 57.3670 63.2575 173.6341 45 N 4.3486 9.0001 119.8543 55.1002 37.4782 174.8488 46 G 3.9110 8.3496 102.8973 45.4852 0.0000 175.3620 47 T 4.0764 7.3663 110.5105 63.2783 69.4055 175.3602 48 L 4.1762 7.7025 124.1164 54.7425 42.7489 175.3642 49 T 4.8702 8.6514 114.6929 59.5865 73.0666 172.1464 50 L 4.1405 8.4674 123.9410 55.0624 42.1554 175.9873 51 S 4.4538 9.0060 122.7136 60.3851 62.9657 173.2713 52 H 4.4239 7.1332 112.2195 54.8619 31.2702 172.6079 53 F 4.3471 8.7075 117.7750 57.9510 39.6202 176.4568 54 G 3.9281 8.5201 110.2528 44.3212 0.0000 173.3298 55 K 4.1633 8.0796 117.2999 56.3599 32.6190 178.2392 56 C 4.5175 9.0808 118.3792 57.4660 41.0710 173.8200 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 V 8.05 4.07 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 1.03 0.00 0.00 1.08 0.00 0.00 7 D 8.79 4.72 0.00 2.75 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 8 C 8.56 4.81 0.00 2.94 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 9 S 8.53 4.02 0.00 4.01 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 10 E 8.30 4.35 0.00 1.96 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 0.00 2.08 2.25 0.00 11 Y 7.80 4.47 0.00 3.29 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 12 P 0.00 4.88 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.11 4.56 0.00 1.73 1.62 0.00 1.14 0.00 0.00 1.51 0.00 0.00 2.62 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.06 0.64 7.81 14 P 0.00 4.36 0.00 2.17 2.18 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.31 4.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 5.12 0.00 2.99 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 17 T 8.40 4.34 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 K 8.22 4.70 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.35 7.81 19 E 8.24 4.32 0.00 2.13 1.99 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 2.31 2.27 0.00 20 Y 8.39 4.87 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.59 0.00 1.67 1.73 0.00 3.18 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 22 P 0.00 4.62 0.00 1.95 1.63 0.00 3.36 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 23 L 8.83 5.00 0.00 1.34 1.05 0.53 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.76 4.89 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.04 4.44 0.00 4.00 4.03 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 27 D 8.13 4.66 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.06 4.25 0.00 2.93 2.98 0.00 0.00 6.75 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.12 4.41 0.00 1.76 1.62 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.25 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.58 1.14 7.81 30 T 8.32 4.63 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 Y 9.34 4.34 0.00 3.06 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 32 G 9.05 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.68 5.28 0.00 2.99 3.07 0.00 0.00 6.36 7.22 0.00 0.00 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 K 8.56 3.93 0.00 1.89 1.91 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.63 1.54 7.81 35 C 8.21 4.56 0.00 3.20 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 36 N 8.90 4.37 0.00 3.09 3.09 0.00 0.00 6.69 8.76 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 37 F 8.37 3.45 0.00 3.02 3.10 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 0.00 0.00 0.00 38 C 8.26 3.64 0.00 1.45 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.03 4.25 0.00 2.98 2.88 0.00 0.00 6.85 6.88 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 40 A 7.60 3.85 1.07 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 0.00 0.00 41 V 7.14 3.16 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 0.78 0.00 0.00 -0.03 0.00 0.00 42 V 7.51 3.49 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 1.02 0.00 0.00 0.99 0.00 0.00 43 E 8.17 3.92 0.00 2.03 2.11 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 2.31 2.30 0.00 44 S 7.93 4.41 0.00 4.05 4.09 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 45 N 9.00 4.35 0.00 2.81 2.89 0.00 0.00 7.19 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.35 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 47 T 7.37 4.08 4.22 0.00 0.00 0.00 0.00 0.00 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 48 L 7.70 4.18 0.00 1.52 1.39 1.05 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.65 4.87 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 1.21 0.00 0.00 50 L 8.47 4.14 0.00 1.35 1.40 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.01 4.45 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.13 4.42 0.00 3.21 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.71 4.35 0.00 3.07 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 54 G 8.52 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.08 4.16 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.56 7.81 56 C 9.08 4.52 0.00 2.91 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