NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8294 8.3549 109.7378 44.1574 0.0000 174.8687 2 E 3.5212 9.1116 118.7457 56.8909 26.2595 173.7525 3 I 3.8710 8.2977 122.4167 63.3493 39.0217 178.5283 4 L 4.7123 7.1579 119.3237 52.9664 42.9915 179.1121 5 C 4.2817 8.4641 118.5717 60.4126 40.7308 174.9515 6 N 3.9570 8.2484 118.0899 56.8142 38.0043 176.3310 7 L 3.9283 7.5466 121.1113 58.9696 42.2716 177.2505 8 C 4.4596 8.6020 119.7625 57.9286 39.5686 174.8352 9 T 3.3262 8.1524 112.7776 65.1488 68.2802 176.3757 10 G 4.1718 7.6442 109.1058 46.8124 0.0000 175.4543 11 L 4.3553 8.8865 123.3537 58.3915 40.6980 179.0204 12 I 3.7221 7.7710 120.2687 64.6528 37.2201 177.6915 13 N 4.3294 7.9161 116.8307 56.9271 38.3035 177.6174 14 T 3.9315 8.0295 116.9168 66.3146 68.2584 176.7563 15 L 4.0729 7.9805 120.5411 57.3532 41.6452 178.8877 16 E 4.1500 7.8350 117.4766 58.0374 29.5059 177.3889 17 N 4.8801 7.6671 113.5022 52.6072 40.4616 174.4879 18 L 3.6592 8.5313 119.8270 57.7260 41.9108 176.5194 19 L 4.3644 8.1368 115.3908 56.9555 44.8609 179.1154 20 T 3.5151 7.6083 110.4278 62.9717 65.9045 171.6136 21 T 4.1433 7.5891 123.3683 62.8145 71.4501 173.6893 22 K 4.0667 8.3962 119.5496 57.8734 32.3447 176.4867 23 G 3.8932 8.0256 108.3493 44.9816 0.0000 174.0550 24 A 3.9481 8.0937 121.0777 52.3065 16.3023 179.2307 25 D 4.2949 8.0526 120.0814 57.9939 41.1341 178.4415 26 K 4.1271 8.0024 119.1569 58.2789 32.1307 179.0519 27 V 3.6704 7.2133 119.8583 65.2170 31.3363 178.4479 28 K 4.1343 8.0290 119.2125 58.5817 32.3876 178.2350 29 D 4.3404 7.8545 120.1710 57.0526 41.2485 177.0873 30 Y 4.0930 8.3698 119.9699 59.9156 39.0174 177.4708 31 I 3.6971 8.6105 121.2173 63.9184 37.1285 178.6989 32 S 4.0389 7.7726 116.3873 61.6595 62.5398 176.3190 33 S 4.0704 7.2143 113.9186 61.4044 62.0760 176.1351 34 L 3.9424 7.2421 120.2587 57.9629 41.5996 178.5259 35 C 4.3490 8.3366 116.7166 58.4972 44.3856 173.5722 36 N 4.6680 8.1308 120.1957 52.1673 37.1689 175.1919 37 K 4.3912 7.5412 114.6826 55.1271 33.1802 175.2599 38 A 4.1732 8.1157 119.1676 49.2984 20.5986 177.5459 39 S 3.7510 8.6464 112.0366 57.0635 62.7700 171.1344 40 G 4.0169 7.0989 113.9573 45.5545 0.0000 175.6837 41 F 4.1578 9.3301 124.0571 61.0139 39.5069 176.1989 42 I 4.1651 8.0507 119.2330 62.1716 37.6487 177.2261 43 A 4.2065 8.2983 123.4016 56.0378 18.2379 179.6090 44 T 3.8619 7.8129 110.1430 64.8532 67.2785 176.4573 45 L 3.9899 7.6482 120.2048 57.5973 41.8621 179.4012 46 C 4.4017 9.0493 119.6440 60.1079 40.6303 175.7444 47 T 3.7669 7.9822 116.7820 65.6218 67.8753 176.8466 48 K 3.9497 7.8009 121.0777 59.4309 31.3591 179.2210 49 V 3.7013 7.5411 118.3529 66.0515 31.2301 177.9048 50 L 4.2789 7.8990 116.7367 58.1645 41.6454 178.7879 51 D 4.5265 8.2963 117.6316 57.2049 40.7517 178.6264 52 F 4.6341 8.3367 120.9320 61.4654 39.9755 174.4827 53 G 3.5598 9.6767 111.5926 44.6240 0.0000 174.1002 54 I 3.8213 8.8167 128.9594 64.6026 37.0296 178.0390 55 D 4.3870 8.0537 118.8115 56.9663 40.6680 178.7687 56 K 3.7980 8.3402 119.4728 59.5247 31.8950 178.9820 57 L 4.3569 8.3538 118.6488 58.5645 41.5359 179.7777 58 I 3.8426 7.6512 119.4238 64.1622 36.8594 178.5508 59 Q 4.0014 8.2203 119.3009 58.7870 28.5462 178.5065 60 L 4.0161 8.4679 120.4205 57.8818 41.5131 179.2143 61 I 4.0320 7.1548 118.3332 63.7852 37.9683 177.0008 62 E 4.0681 7.9151 117.7240 60.4449 29.3378 178.4090 63 D 4.4999 7.8973 117.4511 53.5044 41.6111 176.6688 64 K 4.9723 7.7004 128.6915 57.1837 36.3386 175.4163 65 V 4.1223 7.1564 118.9516 60.6465 31.9171 174.6154 66 D 4.7426 8.5347 127.6024 54.5385 41.0357 177.3144 67 A 4.1100 8.4187 119.6978 54.7173 18.2837 179.1427 68 N 4.2909 8.0231 115.4601 56.6493 39.1825 176.5705 69 A 3.7679 8.0495 121.5814 55.6133 18.0754 179.5241 70 I 3.6815 7.3067 117.2375 64.6725 37.3908 177.2609 71 C 4.3036 7.9950 119.7932 58.8058 44.7579 175.1138 72 A 3.7856 8.8974 123.2531 55.8643 17.7333 178.4453 73 K 3.6548 7.5701 116.8906 60.4144 32.1306 177.8656 74 I 3.8098 7.4025 113.1309 60.8536 38.7669 173.9709 75 H 3.9921 8.0710 122.9452 56.5436 27.4096 173.4954 76 A 4.6532 8.0281 120.3725 50.9895 20.5663 176.9308 77 C 4.4448 7.9721 121.7898 57.0877 44.9540 173.5045 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 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 2 E 9.11 3.52 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 3 I 8.30 3.87 1.73 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 0.73 0.09 0.50 0.00 0.00 4 L 7.16 4.71 0.00 1.58 1.55 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.46 4.28 0.00 2.95 3.11 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 6 N 8.25 3.96 0.00 2.81 2.86 0.00 0.00 6.72 6.66 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 7 L 7.55 3.93 0.00 1.75 1.89 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.60 4.46 0.00 3.04 2.98 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 0.00 0.00 0.00 0.00 9 T 8.15 3.33 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 1.28 0.00 0.00 10 G 7.64 4.17 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 0.00 0.00 0.00 11 L 8.89 4.36 0.00 2.25 2.26 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.77 3.72 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.95 0.94 0.00 0.00 13 N 7.92 4.33 0.00 2.92 2.89 0.00 0.00 7.14 6.94 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 14 T 8.03 3.93 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 0.84 0.00 0.00 15 L 7.98 4.07 0.00 1.69 1.74 1.00 0.84 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 16 E 7.84 4.15 0.00 2.13 2.00 0.00 0.00 0.00 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 2.31 0.00 17 N 7.67 4.88 0.00 2.64 2.73 0.00 0.00 6.90 7.78 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 18 L 8.53 3.66 0.00 1.55 1.50 0.41 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.14 4.36 0.00 1.59 1.62 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.61 3.52 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 1.27 0.00 0.00 21 T 7.59 4.14 4.28 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 1.22 0.00 0.00 22 K 8.40 4.07 0.00 1.77 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.38 7.81 23 G 8.03 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 0.00 0.00 0.00 24 A 8.09 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.05 4.29 0.00 2.71 2.72 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 26 K 8.00 4.13 0.00 1.88 1.81 0.00 1.64 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 27 V 7.21 3.67 2.17 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 0.92 0.00 0.00 0.96 0.00 0.00 28 K 8.03 4.13 0.00 2.03 2.14 0.00 1.51 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.59 7.81 29 D 7.85 4.34 0.00 2.92 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 30 Y 8.37 4.09 0.00 3.04 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 31 I 8.61 3.70 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.93 0.95 0.00 0.00 32 S 7.77 4.04 0.00 3.99 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 33 S 7.21 4.07 0.00 3.89 3.86 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 34 L 7.24 3.94 0.00 1.39 1.50 0.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.34 4.35 0.00 3.10 3.07 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 36 N 8.13 4.67 0.00 2.79 2.85 0.00 0.00 6.89 6.70 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 37 K 7.54 4.39 0.00 1.66 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.47 7.81 38 A 8.12 4.17 1.26 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 0.00 0.00 0.00 39 S 8.65 3.75 0.00 3.92 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 40 G 7.10 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 41 F 9.33 4.16 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.05 4.17 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.96 0.00 0.00 43 A 8.30 4.21 1.37 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 0.00 0.00 44 T 7.81 3.86 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 45 L 7.65 3.99 0.00 1.81 1.71 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 C 9.05 4.40 0.00 2.89 3.18 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 47 T 7.98 3.77 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 1.22 0.00 0.00 48 K 7.80 3.95 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.67 7.81 49 V 7.54 3.70 2.25 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 1.12 0.00 0.00 0.96 0.00 0.00 50 L 7.90 4.28 0.00 1.68 1.74 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.30 4.53 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.63 0.00 2.99 3.24 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 0.00 53 G 9.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.82 3.82 1.91 0.00 0.00 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 1.68 0.64 0.98 0.00 0.00 55 D 8.05 4.39 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.34 3.80 0.00 0.90 1.01 0.00 1.37 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.33 7.81 57 L 8.35 4.36 0.00 2.08 1.87 1.22 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.65 3.84 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.93 0.00 0.00 59 Q 8.22 4.00 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 60 L 8.47 4.02 0.00 1.88 1.80 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.15 4.03 1.90 0.00 0.00 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 1.55 1.96 0.96 0.00 0.00 62 E 7.92 4.07 0.00 2.25 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 0.00 2.37 2.50 0.00 63 D 7.90 4.50 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.97 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 1.18 7.81 65 V 7.16 4.12 2.08 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 1.00 0.00 0.00 1.02 0.00 0.00 66 D 8.53 4.74 0.00 2.82 2.65 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 67 A 8.42 4.11 1.37 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 0.00 0.00 68 N 8.02 4.29 0.00 2.77 2.80 0.00 0.00 7.09 8.15 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 69 A 8.05 3.77 1.33 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 0.00 0.00 0.00 0.00 0.00 70 I 7.31 3.68 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.91 0.00 0.00 71 C 7.99 4.30 0.00 3.19 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 72 A 8.90 3.79 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 73 K 7.57 3.65 0.00 1.84 1.67 0.00 0.61 0.00 0.00 1.30 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.44 7.81 74 I 7.40 3.81 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.71 0.00 0.00 75 H 8.07 3.99 0.00 3.28 3.39 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.03 4.65 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.97 4.44 0.00 2.87 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