NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0627 8.0093 120.7859 60.8527 39.2881 174.3926 2 V 4.2431 7.6749 124.9568 59.4089 34.3612 173.3968 3 C 4.9904 9.9875 119.4427 55.6473 48.1764 173.7414 4 H 4.3542 9.1141 123.0114 56.1506 29.4659 174.5970 5 T 3.9653 8.6433 116.0847 62.3667 67.9309 174.5071 6 T 3.9312 8.8327 119.1017 64.1124 68.9137 173.5901 7 A 3.5456 7.3985 121.0560 52.6912 15.6575 178.3021 8 T 3.9850 7.8850 113.4821 64.9535 68.9855 174.1018 9 S 4.4692 7.3913 117.7978 57.5771 69.8452 172.9469 10 P 4.4766 0.0000 0.0000 61.1150 31.3644 175.7441 11 I 3.8458 8.3266 124.9538 61.9158 36.9601 175.5701 12 S 4.9356 8.2659 126.4995 57.6435 64.1805 173.4837 13 A 4.6859 8.2060 125.5626 51.7514 22.1675 175.9665 14 V 4.4916 8.3044 118.9526 61.5594 35.7749 174.3023 15 T 4.4832 8.3662 120.3812 63.4390 69.2482 175.3569 16 C 4.5545 8.5645 121.2356 55.4549 41.3054 172.0228 17 P 4.4370 0.0000 0.0000 61.8111 31.5119 174.6391 18 P 4.3387 0.0000 0.0000 66.0020 31.0414 178.1565 19 G 3.7116 7.9572 106.7715 48.0216 0.0000 173.8460 20 E 4.3824 7.8128 120.0186 56.3313 30.3903 175.5367 21 N 5.2864 9.1203 118.1740 54.6342 45.7800 175.6184 22 L 4.4630 8.0356 118.9954 56.0778 42.2490 176.2129 23 C 5.0552 8.5530 118.3793 56.2067 37.6948 172.5248 24 Y 5.4852 8.8367 122.3756 55.3593 41.2649 174.9075 25 R 4.7653 8.9079 116.5043 54.7873 33.1153 173.7534 26 K 5.1241 8.7647 123.2032 54.9673 34.2455 175.4048 27 M 4.8221 8.4462 122.8891 52.6794 36.1687 175.3914 28 W 5.1185 7.8072 119.0904 55.3512 29.1166 176.6635 29 C 4.6075 8.2149 117.1005 59.3456 46.4516 173.2461 30 D 4.1927 8.0412 114.7925 53.2807 39.5072 171.7800 31 A 4.3937 7.2686 128.9863 51.7444 21.0760 177.6351 32 F 4.9576 7.9323 116.3310 55.9052 38.9751 174.7369 33 C 4.3809 9.3652 124.2350 57.0302 40.0161 172.4319 34 S 3.9705 8.5830 117.9497 58.7961 61.9218 168.8158 35 S 4.0749 8.2819 121.5168 57.8530 61.6012 170.2095 36 R 4.6472 7.5786 121.4713 57.0217 32.3047 178.7954 37 G 3.8282 8.4964 107.2052 46.0344 0.0000 173.4977 38 K 4.7937 8.5320 113.2153 54.4496 36.6753 177.8225 39 V 3.1523 8.2808 120.4279 64.8254 31.0503 177.3432 40 V 2.8608 6.9561 111.7024 61.6697 28.2077 172.0290 41 E 4.3710 8.3015 123.9690 54.0014 29.5390 176.5810 42 L 4.6259 7.6145 123.6939 52.9824 42.7410 176.4138 43 G 3.8830 7.2885 113.3609 45.0040 0.0000 172.5871 44 C 4.8424 8.0907 121.6779 55.9326 42.7559 172.4173 45 A 4.8929 9.1652 127.3686 50.8221 22.1965 176.4143 46 A 4.5465 8.6241 120.9893 52.5143 20.8613 177.2485 47 T 4.7013 7.6300 103.8656 60.2846 71.3050 175.1163 48 C 4.7587 8.1409 121.9372 54.3521 43.8692 171.7513 49 P 4.4656 0.0000 0.0000 62.1644 32.7215 176.0906 50 S 4.3340 7.6813 107.3899 58.1707 65.2686 176.3540 51 K 4.3996 8.8320 124.7773 57.3517 33.3686 175.6731 52 K 3.4664 7.9433 119.6250 56.8247 29.3527 173.7259 53 P 4.0688 0.0000 0.0000 64.5071 31.6863 177.9201 54 Y 3.6177 8.3631 112.3861 58.6825 34.9393 169.2968 55 E 4.8249 8.3403 122.4736 56.6317 28.8125 173.5762 56 E 4.9376 8.2051 129.1998 55.5515 34.5816 173.3035 57 V 4.5161 8.5144 120.1325 61.8854 33.3412 176.7433 58 T 4.6366 8.2183 125.3099 62.6848 71.3315 170.7840 59 C 5.6337 8.1147 115.7617 56.4940 43.0523 173.6638 60 C 4.8071 8.0763 118.0719 55.1570 46.4450 174.3262 61 S 4.7155 8.6508 123.9172 57.1489 60.5989 173.2074 62 T 4.4721 6.9894 116.7214 63.3094 73.4575 174.2968 63 D 5.7204 8.5632 130.5583 52.6861 38.5708 179.8324 64 K 4.2786 8.6060 110.3914 57.3387 29.6521 176.8265 65 C 4.6799 8.0332 121.2370 57.2691 44.7545 173.2001 66 N 4.6554 7.9625 115.1002 52.7839 37.0385 172.4188 67 P 3.9394 0.0000 0.0000 63.3421 30.8464 175.6253 68 H 4.2958 8.6377 123.0536 58.5281 29.4299 174.4567 69 P 3.9094 0.0000 0.0000 63.0848 31.1132 175.8779 70 K 3.7048 7.7285 119.5571 55.9900 31.0167 174.9458 71 Q 4.4051 8.0443 114.9394 54.0806 28.8685 174.6069 72 R 4.5101 8.1832 122.8731 53.3454 32.9246 173.4425 73 P 4.5773 0.0000 0.0000 63.1209 32.5454 176.4802 74 G 3.7205 8.2524 106.3886 46.4575 0.0000 173.0399 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 I 8.01 4.06 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.95 0.00 0.00 2 V 7.67 4.24 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 0.66 0.00 0.00 0.90 0.00 0.00 3 C 9.99 4.99 0.00 2.94 2.89 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 4 H 9.11 4.35 0.00 3.19 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.64 3.97 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 6 T 8.83 3.93 4.23 0.00 0.00 0.00 0.00 0.00 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 7 A 7.40 3.55 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 8 T 7.88 3.99 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 1.22 0.00 0.00 9 S 7.39 4.47 0.00 3.79 3.79 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 0.00 0.00 0.00 0.00 10 P 0.00 4.48 0.00 2.21 2.06 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 11 I 8.33 3.85 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.40 0.94 0.00 0.00 12 S 8.27 4.94 0.00 3.81 3.65 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 0.00 0.00 0.00 0.00 13 A 8.21 4.69 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 15 T 8.37 4.48 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 1.28 0.00 0.00 16 C 8.56 4.55 0.00 2.96 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 17 P 0.00 4.44 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 18 P 0.00 4.34 0.00 2.18 2.20 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 19 G 7.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.38 0.00 1.98 2.01 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 2.37 2.48 0.00 21 N 9.12 5.29 0.00 2.54 2.79 0.00 0.00 7.06 7.45 0.00 0.00 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 L 8.04 4.46 0.00 1.90 1.82 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.55 5.06 0.00 2.93 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 24 Y 8.84 5.49 0.00 3.17 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 25 R 8.91 4.77 0.00 1.78 1.94 0.00 2.68 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 26 K 8.76 5.12 0.00 1.93 1.86 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.48 7.81 27 M 8.45 4.82 0.00 1.66 1.80 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 28 W 7.81 5.12 0.00 3.57 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.61 0.00 2.86 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 30 D 8.04 4.19 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.27 4.39 1.22 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 0.00 0.00 0.00 32 F 7.93 4.96 0.00 3.13 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 33 C 9.37 4.38 0.00 3.09 3.13 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 0.00 0.00 0.00 0.00 34 S 8.58 3.97 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.28 4.07 0.00 4.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.65 0.00 1.73 1.85 0.00 3.39 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 37 G 8.50 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 0.00 0.00 0.00 38 K 8.53 4.79 0.00 1.64 1.67 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.19 1.22 7.81 39 V 8.28 3.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.07 0.00 0.00 40 V 6.96 2.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.85 0.00 0.00 41 E 8.30 4.37 0.00 2.04 1.91 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 2.16 2.16 0.00 42 L 7.61 4.63 0.00 1.65 1.51 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.29 3.88 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 0.00 0.00 0.00 44 C 8.09 4.84 0.00 2.94 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 45 A 9.17 4.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.70 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 1.20 0.00 0.00 48 C 8.14 4.76 0.00 2.90 2.97 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 0.00 0.00 0.00 49 P 0.00 4.47 0.00 2.19 2.06 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 50 S 7.68 4.33 0.00 3.76 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.83 4.40 0.00 1.81 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.23 7.81 52 K 7.94 3.47 0.00 1.21 1.32 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.40 7.81 53 P 0.00 4.07 0.00 2.20 2.11 0.00 3.69 0.00 0.00 3.50 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 54 Y 8.36 3.62 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.82 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 56 E 8.21 4.94 0.00 2.04 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 57 V 8.51 4.52 1.98 0.00 0.00 0.00 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 0.85 0.00 0.00 58 T 8.22 4.64 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 1.21 0.00 0.00 59 C 8.11 5.63 0.00 2.98 3.17 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 60 C 8.08 4.81 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.65 4.72 0.00 3.91 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 62 T 6.99 4.47 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 1.21 0.00 0.00 63 D 8.56 5.72 0.00 2.78 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.61 4.28 0.00 1.89 1.86 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 C 8.03 4.68 0.00 2.94 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 66 N 7.96 4.66 0.00 2.79 2.84 0.00 0.00 6.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 3.94 0.00 2.04 2.11 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 68 H 8.64 4.30 0.00 3.01 3.23 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 3.91 0.00 2.18 2.03 0.00 3.89 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 70 K 7.73 3.70 0.00 1.97 1.83 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.46 7.81 71 Q 8.04 4.41 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 72 R 8.18 4.51 0.00 1.72 1.78 0.00 3.24 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 73 P 0.00 4.58 0.00 2.21 2.08 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 74 G 8.25 3.72 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 0.00 0.00 0.00