NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5861 8.3649 120.1891 53.7104 42.9351 175.5098 10 V 3.8572 7.7454 110.4061 61.7328 33.0184 173.9310 11 L 4.6838 7.5868 120.3000 53.2982 43.4455 175.2806 12 T 5.2111 8.2878 112.9108 60.0312 71.8963 173.4419 13 V 4.4890 8.8571 115.2547 58.5375 35.5410 176.8366 14 S 4.4223 8.1176 118.9526 58.8490 61.1641 174.7088 *25 K 4.6078 8.1030 123.2629 55.7822 34.5045 175.2546 26 P 4.6253 0.0000 0.0000 62.9086 31.7262 176.6850 27 L 3.9415 8.9019 124.0390 58.3532 41.8405 179.4450 28 R 3.9297 8.0390 115.5474 59.5559 29.1485 178.4049 29 D 4.3665 8.2041 119.3617 57.3078 40.7276 178.9534 30 S 4.1523 7.9503 115.5712 61.2854 62.6796 176.9167 31 V 3.5140 7.6483 120.6720 65.7448 31.3429 177.9828 32 K 3.8440 8.0388 118.2371 59.5298 31.9585 178.9096 33 Q 3.8873 8.0925 119.4011 59.1812 28.8761 178.3144 34 A 3.9528 8.0703 121.6529 55.2820 18.3762 179.6504 35 L 3.6173 8.0177 117.7222 57.4656 41.4131 179.7016 36 K 3.7881 7.9928 119.7465 59.5758 31.9350 178.6831 37 N 4.3503 7.9628 115.5984 56.2842 38.6172 176.5787 38 Y 4.2328 8.1668 121.0793 60.8645 38.9905 177.8786 39 F 4.3673 8.4615 118.9052 60.7759 38.7853 177.5214 40 A 4.1279 7.7096 119.3015 54.7744 18.2062 179.0948 41 Q 4.0913 7.9312 115.6197 56.9283 29.0618 176.4033 42 L 4.1136 6.9010 119.8636 53.8950 42.6502 175.7902 *46 D 4.4304 8.1761 118.6443 54.4645 41.8025 175.8363 47 V 4.5778 8.0959 121.8670 61.8677 34.4605 174.2286 48 N 5.1672 8.7217 123.6885 52.8306 38.0703 174.0990 49 D 4.8930 8.1430 115.4413 53.0032 40.6543 176.6882 50 L 3.9548 8.3912 124.0423 59.1266 41.7893 177.9867 51 Y 3.9986 8.0293 118.7528 60.9258 38.8289 177.7969 52 E 3.8947 8.2944 118.9789 59.0509 29.3621 178.8354 53 L 3.8715 8.0806 120.0501 58.2560 42.3784 179.0618 54 V 3.5621 7.7790 118.1153 65.7979 31.3910 177.5456 55 L 3.7184 7.8836 120.2668 58.1781 41.4326 178.8567 56 A 3.8132 8.2830 120.9578 55.0514 18.1299 178.9302 57 E 3.9011 7.7147 115.8656 57.9415 29.9381 177.9370 58 V 4.0253 7.1868 117.0419 64.7851 32.7978 177.2522 59 E 3.8475 8.6548 119.0076 59.0873 29.2056 178.8566 60 Q 3.5036 7.0292 119.3946 58.6764 29.0715 176.9666 61 P 4.2198 0.0000 0.0000 65.4159 31.2510 178.1102 62 L 3.8444 7.5141 119.9627 57.9636 41.9599 178.8213 63 L 3.9334 8.2384 119.2397 57.8225 41.6120 178.7513 64 D 4.3307 8.3081 118.1763 57.9031 41.0636 178.3459 65 M 4.0871 8.4000 119.2048 58.5534 31.9740 179.3516 66 V 3.6501 8.0396 112.6370 64.7125 31.6777 178.5791 67 M 4.1142 8.3825 118.7733 58.3255 31.7600 178.6940 68 Q 3.9092 8.2653 119.8242 59.3277 29.0650 177.4446 69 Y 4.1185 8.1580 119.8702 60.4013 39.1820 177.2791 70 T 4.3515 8.1865 108.5963 60.4556 69.2085 174.8524 71 R 4.0646 8.4873 118.4911 58.0028 28.0937 176.2536 72 D 4.4002 8.8110 113.3129 55.6186 38.8891 174.8238 73 N 4.6320 7.7499 118.6303 52.4978 39.0699 175.0956 74 Q 4.0022 8.5508 128.2140 59.2712 28.9112 178.8431 75 T 3.8405 7.9315 116.0375 66.8832 68.5884 176.6352 76 R 3.9283 8.7514 119.9614 59.1336 30.0961 179.0208 77 A 3.9991 8.3546 120.5069 55.0758 18.4530 179.4095 78 A 3.9506 8.4513 119.5966 55.4079 18.2614 179.7346 79 L 3.9523 7.8240 116.0001 58.4013 41.8014 179.4108 80 M 4.1947 7.9665 117.2345 58.7204 31.9790 178.4425 81 M 4.2701 8.0592 117.4486 55.9789 32.1987 177.1663 82 G 3.8876 8.0980 106.9065 45.9726 0.0000 173.0622 83 I 4.6777 7.4176 110.8372 57.6251 41.0025 175.0853 84 N 4.6465 8.3409 119.0773 52.4753 39.4817 175.9986 85 R 4.0234 8.5752 120.8190 59.4646 30.0712 178.9013 86 G 3.6015 8.0663 105.2043 48.1227 0.0000 175.7106 87 T 3.9103 8.7624 118.8256 66.0335 68.3315 176.5727 88 L 3.9563 7.8680 122.0517 58.3852 42.1988 179.3431 89 R 3.9482 8.1575 117.9621 59.0945 29.8920 179.2889 90 K 3.9964 8.2769 118.4581 59.2975 31.9242 179.5319 91 K 3.9887 8.3152 118.9441 59.5101 32.0150 179.3379 92 L 4.0995 8.2834 119.5572 57.7130 41.5299 179.6068 93 K 4.0620 8.1687 119.5198 59.3461 31.9522 178.4473 94 K 3.6708 7.9931 119.2031 59.5724 31.9250 177.1624 95 Y 4.6388 7.3225 113.6018 56.7620 38.1845 175.5433 96 G 3.9825 8.2765 107.8003 47.2733 0.0000 174.8942 97 M 4.4555 8.5510 119.2904 54.7755 33.4130 176.3776 98 N 4.4978 8.2262 120.8035 53.1663 37.2621 174.6505 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 9 D 8.36 4.59 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.86 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 0.75 0.00 0.00 0.91 0.00 0.00 11 L 7.59 4.68 0.00 1.56 1.59 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.29 5.21 4.29 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 1.20 0.00 0.00 13 V 8.86 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 0.86 0.00 0.00 0.92 0.00 0.00 14 S 8.12 4.42 0.00 3.85 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 *25 K 8.10 4.61 0.00 1.80 1.88 0.00 1.97 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.34 7.81 26 P 0.00 4.63 0.00 2.20 2.19 0.00 3.70 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 2.39 1.96 0.00 27 L 8.90 3.94 0.00 1.73 1.70 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.04 3.93 0.00 2.06 2.18 0.00 3.02 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 29 D 8.20 4.37 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.15 0.00 4.03 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 31 V 7.65 3.51 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 1.10 0.00 0.00 0.93 0.00 0.00 32 K 8.04 3.84 0.00 2.00 1.82 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 Q 8.09 3.89 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 34 A 8.07 3.95 1.32 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 0.00 0.00 0.00 35 L 8.02 3.62 0.00 1.52 0.98 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.99 3.79 0.00 1.76 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 37 N 7.96 4.35 0.00 2.90 2.88 0.00 0.00 7.03 6.83 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 38 Y 8.17 4.23 0.00 3.07 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 39 F 8.46 4.37 0.00 3.19 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 40 A 7.71 4.13 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 41 Q 7.93 4.09 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 42 L 6.90 4.11 0.00 1.64 1.52 0.82 0.63 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 *46 D 8.18 4.43 0.00 2.70 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 47 V 8.10 4.58 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 1.03 0.00 0.00 1.02 0.00 0.00 48 N 8.72 5.17 0.00 2.83 2.83 0.00 0.00 5.95 8.06 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 49 D 8.14 4.89 0.00 2.82 2.87 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 50 L 8.39 3.95 0.00 1.90 1.83 0.79 1.13 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 51 Y 8.03 4.00 0.00 3.15 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 52 E 8.29 3.89 0.00 2.06 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 2.55 2.38 0.00 53 L 8.08 3.87 0.00 1.63 1.79 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.78 3.56 1.89 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 0.81 0.00 0.00 0.87 0.00 0.00 55 L 7.88 3.72 0.00 1.39 1.62 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 3.81 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.71 3.90 0.00 1.84 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 0.00 2.23 2.27 0.00 58 V 7.19 4.03 1.96 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 0.97 0.00 0.00 0.87 0.00 0.00 59 E 8.65 3.85 0.00 1.79 1.88 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 2.29 2.42 0.00 60 Q 7.03 3.50 0.00 1.58 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 61 P 0.00 4.22 0.00 2.23 2.22 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 62 L 7.51 3.84 0.00 1.75 1.88 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.24 3.93 0.00 1.80 1.71 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.31 4.33 0.00 2.78 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 65 M 8.40 4.09 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 66 V 8.04 3.65 2.09 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 0.81 0.00 0.00 1.04 0.00 0.00 67 M 8.38 4.11 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 68 Q 8.27 3.91 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 69 Y 8.16 4.12 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.35 4.29 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 1.45 0.00 0.00 71 R 8.49 4.06 0.00 1.97 2.02 0.00 3.40 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 72 D 8.81 4.40 0.00 2.81 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 73 N 7.75 4.63 0.00 2.87 2.78 0.00 0.00 7.24 6.92 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 74 Q 8.55 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.93 3.84 4.41 0.00 0.00 0.00 0.00 0.00 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 76 R 8.75 3.93 0.00 2.08 2.04 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 77 A 8.35 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.45 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 79 L 7.82 3.95 0.00 1.79 1.77 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.97 4.19 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 81 M 8.06 4.27 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 82 G 8.10 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 83 I 7.42 4.68 1.88 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 1.48 0.79 0.92 0.00 0.00 84 N 8.34 4.65 0.00 3.02 3.00 0.00 0.00 5.59 7.66 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 85 R 8.58 4.02 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 86 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.76 3.91 4.42 0.00 0.00 0.00 0.00 0.00 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 88 L 7.87 3.96 0.00 1.81 1.87 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.16 3.95 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 90 K 8.28 4.00 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 91 K 8.32 3.99 0.00 2.02 2.01 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.69 7.81 92 L 8.28 4.10 0.00 1.84 1.76 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.17 4.06 0.00 1.95 1.88 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 K 7.99 3.67 0.00 1.61 1.59 0.00 1.61 0.00 0.00 1.14 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.52 1.16 7.81 95 Y 7.32 4.64 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.28 3.98 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 0.00 0.00 0.00 97 M 8.55 4.46 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00 98 N 8.23 4.50 0.00 2.83 2.83 0.00 0.00 5.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.