NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9641 8.3544 109.7368 44.6920 0.0000 173.0798 5 I 4.4124 7.4856 117.5052 57.8068 40.8352 172.1613 6 R 4.6716 8.8824 121.4986 54.9515 32.8840 173.9658 7 K 4.4419 8.3816 119.2683 55.2368 33.4688 176.0745 8 L 4.7513 8.2180 123.7113 53.0478 44.9349 175.6979 9 V 4.2631 8.3419 124.9828 60.0446 33.0776 175.2914 10 V 4.3723 8.1168 122.8889 61.2940 33.3292 174.2191 11 L 4.8403 7.9941 123.6522 53.5659 45.9093 174.9369 12 N 5.1248 8.2585 115.7109 50.7375 42.1663 173.0966 13 P 4.6816 0.0000 0.0000 62.8721 32.7434 175.8637 14 R 4.5633 9.2122 123.5439 55.0925 31.1448 175.4669 15 A 4.7995 8.5394 128.1249 51.0473 20.0358 174.5683 16 Y 4.8195 8.1582 117.7325 59.1534 44.1333 176.2330 *22 H 4.9534 7.6018 119.1454 56.1885 29.6461 173.2104 23 T 4.6053 8.4267 121.6826 62.4713 70.0577 173.6522 24 T 4.5467 8.0181 122.9447 61.9898 70.7987 173.6464 25 F 5.4268 8.6171 123.3961 56.0673 42.0824 174.0278 26 Y 4.9872 9.0049 118.4652 56.3428 42.8406 174.1801 27 L 5.0502 8.3511 119.4155 52.7471 44.8240 176.8889 28 L 3.9810 8.7612 125.5992 54.9655 42.7513 176.2916 29 I 4.2527 7.8621 124.7659 58.6209 38.2991 174.2106 30 P 4.1542 0.0000 0.0000 63.2929 32.9260 175.9669 31 K 3.6591 8.9881 121.8144 60.3519 31.9753 177.9584 32 D 4.4211 8.0912 117.8677 57.0412 39.2437 179.1205 33 I 3.7130 7.7098 120.1707 63.9917 37.1905 178.0164 34 A 4.0413 8.5241 122.0077 55.1763 17.9765 179.3094 35 E 3.9481 8.2029 117.2831 59.0068 29.4603 178.8831 36 A 3.9534 7.6256 120.8272 55.1401 18.5031 178.1477 37 L 4.3656 7.7906 112.5066 53.9587 42.0411 177.0715 38 D 4.3037 7.4065 115.3794 55.5063 39.3578 172.3547 39 I 4.2884 8.5218 121.7751 60.5037 38.3601 176.0524 40 K 4.7026 10.4403 125.4858 53.5175 34.3566 175.6135 41 P 3.8281 0.0000 0.0000 65.3323 31.0064 176.5239 42 D 4.7173 7.9088 116.3454 53.1475 40.0290 176.3465 43 D 4.4008 8.7006 121.7159 55.0751 41.2260 175.5449 44 T 4.7151 8.1137 118.8906 61.8901 70.9124 173.2848 45 F 5.3259 9.0740 124.5392 55.5553 42.7562 174.2975 46 I 4.6026 8.8675 115.8773 59.1119 40.0728 173.9404 47 L 4.8093 8.4701 127.1368 53.4811 43.7989 174.9767 48 N 5.0402 8.6477 122.7715 51.5840 42.2909 173.3580 49 M 4.7197 8.5636 122.8738 55.0412 33.0801 175.3031 50 E 4.8528 9.3983 122.6130 54.9265 34.7827 173.9593 51 Q 5.0094 8.3536 119.8186 54.9694 32.4753 173.7949 52 K 4.3789 9.0693 124.8833 56.5628 35.6882 176.2686 53 D 4.3371 9.8279 126.9696 55.4970 38.1480 174.8288 54 G 3.8697 10.1216 105.6735 45.7831 0.0000 172.6371 55 D 4.8041 8.7213 122.3854 52.0631 41.9756 175.9715 56 I 4.2591 8.2205 118.4671 61.0163 38.6684 175.5689 57 V 4.4254 9.1662 124.1273 61.1654 34.9896 174.2887 58 L 4.9395 8.6260 127.0351 53.2258 43.2595 175.6304 59 S 4.5436 8.6146 121.4654 57.5842 64.3676 173.3899 60 Y 4.8685 8.7646 123.7718 56.4501 38.4496 174.9187 61 K 4.5072 9.0418 127.2402 55.3935 34.0450 175.3788 62 R 3.9789 8.6690 128.0270 55.2557 31.1160 175.5030 63 V 4.1168 8.3178 127.2485 60.8284 33.2446 175.7535 64 K 3.8029 8.7842 130.5003 59.5168 32.2291 178.4607 65 E 3.9377 8.2417 116.7672 59.3677 29.3544 177.8241 66 L 4.2941 7.6281 116.0607 55.1227 42.0632 177.4335 67 K 4.2426 8.2266 119.2292 55.7900 32.6186 177.0748 68 I 4.1959 8.0024 114.4417 61.1890 37.6830 175.0364 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 4 G 8.35 3.96 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 0.00 0.00 0.00 5 I 7.49 4.41 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 1.47 0.84 0.91 0.00 0.00 6 R 8.88 4.67 0.00 1.91 1.83 0.00 3.08 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 7 K 8.38 4.44 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 8 L 8.22 4.75 0.00 1.52 1.49 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.34 4.26 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 0.77 0.00 0.00 0.93 0.00 0.00 10 V 8.12 4.37 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 0.85 0.00 0.00 0.93 0.00 0.00 11 L 7.99 4.84 0.00 1.62 1.53 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.26 5.12 0.00 2.68 2.71 0.00 0.00 6.91 8.02 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 13 P 0.00 4.68 0.00 2.22 2.14 0.00 3.73 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 1.96 2.10 0.00 14 R 9.21 4.56 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 15 A 8.54 4.80 0.97 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 0.00 0.00 16 Y 8.16 4.82 0.00 2.89 2.78 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 0.00 0.00 0.00 0.00 *22 H 7.60 4.95 0.00 3.20 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.43 4.61 4.20 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 0.56 0.00 0.00 24 T 8.02 4.55 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 0.93 0.00 0.00 25 F 8.62 5.43 0.00 2.82 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 26 Y 9.00 4.99 0.00 2.95 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 27 L 8.35 5.05 0.00 1.35 1.48 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.76 3.98 0.00 1.56 1.55 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.86 4.25 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.85 0.00 0.00 30 P 0.00 4.15 0.00 2.14 2.00 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 31 K 8.99 3.66 0.00 1.80 1.74 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 32 D 8.09 4.42 0.00 2.94 2.94 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 0.00 0.00 0.00 33 I 7.71 3.71 2.00 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 1.58 0.75 0.92 0.00 0.00 34 A 8.52 4.04 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 35 E 8.20 3.95 0.00 2.09 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 0.00 2.31 2.32 0.00 36 A 7.63 3.95 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 37 L 7.79 4.37 0.00 1.73 1.75 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.41 4.30 0.00 2.64 2.66 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 0.00 0.00 0.00 39 I 8.52 4.29 1.91 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 1.01 0.00 0.00 40 K 10.44 4.70 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.53 1.48 7.81 41 P 0.00 3.83 0.00 2.19 2.22 0.00 3.77 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 2.01 1.99 0.00 42 D 7.91 4.72 0.00 2.81 2.83 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 43 D 8.70 4.40 0.00 2.95 2.52 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 0.00 0.00 0.00 0.00 44 T 8.11 4.72 4.32 0.00 0.00 0.00 0.00 0.00 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 45 F 9.07 5.33 0.00 2.98 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 46 I 8.87 4.60 1.89 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 1.16 0.74 0.94 0.00 0.00 47 L 8.47 4.81 0.00 1.18 1.43 -0.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.65 5.04 0.00 2.59 2.60 0.00 0.00 6.73 7.20 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 49 M 8.56 4.72 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 50 E 9.40 4.85 0.00 1.79 1.79 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 2.18 2.32 0.00 51 Q 8.35 5.01 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 52 K 9.07 4.38 0.00 1.72 1.57 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.54 7.81 53 D 9.83 4.34 0.00 2.77 2.71 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 54 G 10.12 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 0.00 0.00 0.00 55 D 8.72 4.80 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.26 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.89 0.00 0.00 57 V 9.17 4.43 2.15 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 0.91 0.00 0.00 0.97 0.00 0.00 58 L 8.63 4.94 0.00 1.60 1.43 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.61 4.54 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.76 4.87 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.04 4.51 0.00 1.90 1.74 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 62 R 8.67 3.98 0.00 1.44 1.70 0.00 3.14 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.00 63 V 8.32 4.12 2.03 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 0.86 0.00 0.00 0.91 0.00 0.00 64 K 8.78 3.80 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 65 E 8.24 3.94 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 2.31 2.34 0.00 66 L 7.63 4.29 0.00 1.70 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.23 4.24 0.00 1.87 1.73 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.24 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.64 1.29 7.81 68 I 8.00 4.20 1.88 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 1.29 0.67 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.