NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0942 8.0544 120.3354 61.5245 32.5871 174.0977 7 D 4.7193 8.7974 124.4592 52.3830 42.5743 174.8533 8 C 4.9795 8.4685 124.2371 56.7809 41.8080 175.6378 9 S 4.1128 8.8078 118.4889 61.3500 62.5268 174.6187 10 E 4.3959 8.2621 116.9014 56.3593 29.6572 175.4180 11 Y 4.3155 7.6647 117.0310 56.0199 40.1474 173.7299 12 P 5.1096 0.0000 0.0000 62.4190 32.2937 175.6696 13 K 4.5484 9.1127 117.5704 53.8300 35.2246 176.2532 14 P 4.0873 0.0000 0.0000 64.8375 31.7338 175.9744 15 A 4.7379 7.2644 120.0254 51.0705 22.2596 174.6039 16 C 5.1332 8.4000 116.7091 54.9224 43.8387 174.6920 17 T 4.2718 8.4619 113.0643 62.0234 69.3648 173.9160 18 Q 4.7533 8.2489 119.2664 55.2343 29.3507 175.7805 19 E 4.3303 8.0817 114.9057 55.8758 31.2241 175.2346 20 Y 4.9134 8.4147 120.6535 56.2521 39.6925 175.9700 21 R 4.5042 8.6670 127.4828 54.1348 32.9375 172.8503 22 P 4.4747 0.0000 0.0000 62.3864 33.2567 175.3821 23 L 5.1355 8.7104 119.9654 53.1262 46.3769 174.6132 24 C 5.0214 8.7788 122.3767 54.7953 46.3687 173.7830 25 G 4.6248 9.1068 114.3785 45.6035 0.0000 174.3126 26 S 4.4701 9.1074 115.0970 59.6776 63.0568 174.6104 27 D 4.6700 8.0714 119.7318 52.9919 39.4696 176.6805 28 N 4.3400 8.1766 115.4643 53.7073 37.0381 173.6433 29 K 4.2987 7.9442 120.7139 55.5545 33.8391 175.8419 30 T 4.5430 8.3465 124.2627 63.7432 69.1908 173.4194 31 Y 4.4486 9.1861 125.7009 56.5029 39.4279 177.6107 32 G 3.6882 9.0835 112.9575 48.2538 0.0000 172.5405 33 N 5.1625 7.6419 117.1691 51.5507 40.9878 175.1175 34 K 3.9333 8.5231 121.2599 59.7949 32.1812 179.1456 35 C 4.6899 8.2001 119.6941 59.2537 37.8251 175.1963 36 N 4.3607 9.1000 118.6244 56.1394 38.1502 177.1573 37 F 3.4639 8.4816 122.2719 61.4668 39.5916 176.5964 38 C 3.7138 8.3458 116.3891 59.8157 40.9045 175.9233 39 N 4.2153 8.1420 117.8208 55.9309 38.0593 177.3632 40 A 3.8808 7.4033 122.1144 54.6517 18.3801 179.5343 41 V 3.1301 7.0461 116.8729 66.1474 31.4234 178.2768 42 V 3.4917 7.3755 117.3851 66.1920 31.1496 177.6596 43 E 4.0222 8.0592 117.6013 58.6503 29.5905 177.8457 44 S 4.4034 7.8946 112.6919 57.3346 63.3550 173.5621 45 N 4.0497 9.1140 120.1131 55.1346 37.4417 174.7772 46 G 3.8999 8.1991 102.7017 45.6488 0.0000 175.1873 47 T 4.1480 7.4168 110.7885 62.6233 69.5864 175.2291 48 L 4.1727 7.6112 124.6273 54.6986 42.7143 175.3559 49 T 4.8710 8.6774 115.0245 59.5874 73.0413 172.0408 50 L 4.1550 8.4239 123.6816 54.9415 42.1367 175.9610 51 S 4.4400 8.9084 122.8183 60.4256 62.8627 173.3078 52 H 4.4733 7.1539 112.2759 54.7040 31.4039 172.5480 53 F 4.3384 8.6611 117.7360 57.7712 39.5354 176.2352 54 G 4.0057 8.4795 108.7004 44.6767 0.0000 173.5463 55 K 4.1712 8.0345 117.6007 56.2906 32.6657 178.3254 56 C 4.4935 8.8537 118.0559 57.4756 41.0887 173.8838 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 4.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 7 D 8.80 4.72 0.00 2.76 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 8 C 8.47 4.98 0.00 2.95 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 8.81 4.11 0.00 3.99 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 0.00 10 E 8.26 4.40 0.00 1.96 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 2.29 1.96 0.00 11 Y 7.66 4.32 0.00 3.23 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 12 P 0.00 5.11 0.00 2.20 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 4.55 0.00 1.77 1.61 0.00 0.88 0.00 0.00 1.52 0.00 0.00 2.61 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.99 0.58 7.81 14 P 0.00 4.09 0.00 2.18 2.18 0.00 3.73 0.00 0.00 3.62 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 7.26 4.74 1.17 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 16 C 8.40 5.13 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 8.46 4.27 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 1.24 0.00 0.00 18 Q 8.25 4.75 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 19 E 8.08 4.33 0.00 2.14 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 2.32 2.28 0.00 20 Y 8.41 4.91 0.00 2.80 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 21 R 8.67 4.50 0.00 1.64 1.73 0.00 3.19 0.00 0.00 3.22 7.09 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 4.47 0.00 1.94 1.59 0.00 3.34 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 23 L 8.71 5.14 0.00 1.40 1.10 0.56 0.68 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 24 C 8.78 5.02 0.00 2.84 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 9.11 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.47 0.00 4.00 4.10 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 27 D 8.07 4.67 0.00 2.85 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 8.18 4.34 0.00 2.94 3.03 0.00 0.00 6.80 7.00 0.00 0.00 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 7.94 4.30 0.00 1.78 1.60 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.27 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.76 1.17 7.81 30 T 8.35 4.54 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 1.29 0.00 0.00 31 Y 9.19 4.45 0.00 3.09 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 9.08 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.64 5.16 0.00 3.00 3.07 0.00 0.00 6.37 7.71 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 34 K 8.52 3.93 0.00 1.84 1.90 0.00 1.85 0.00 0.00 1.89 0.00 0.00 3.22 0.00 0.00 3.53 0.00 0.00 0.00 0.00 1.51 1.50 7.81 35 C 8.20 4.69 0.00 3.24 3.33 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 36 N 9.10 4.36 0.00 2.89 3.07 0.00 0.00 6.66 7.89 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 37 F 8.48 3.46 0.00 3.02 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 38 C 8.35 3.71 0.00 1.44 1.61 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 39 N 8.14 4.22 0.00 2.82 2.88 0.00 0.00 6.86 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 40 A 7.40 3.88 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 7.05 3.13 1.83 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 0.80 0.00 0.00 0.05 0.00 0.00 42 V 7.38 3.49 2.21 0.00 0.00 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 0.99 0.00 0.00 43 E 8.06 4.02 0.00 1.98 2.05 0.00 0.00 0.00 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 2.31 0.00 44 S 7.89 4.40 0.00 4.05 4.08 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 45 N 9.11 4.05 0.00 2.80 2.89 0.00 0.00 7.19 7.52 0.00 0.00 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 8.20 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 0.00 0.00 0.00 47 T 7.42 4.15 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 7.61 4.17 0.00 1.52 1.36 1.07 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.68 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 8.42 4.15 0.00 1.23 1.36 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.91 4.44 0.00 3.86 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 52 H 7.15 4.47 0.00 3.20 3.31 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 8.66 4.34 0.00 3.04 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 54 G 8.48 4.01 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 0.00 0.00 0.00 55 K 8.03 4.17 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.53 7.81 56 C 8.85 4.49 0.00 2.93 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