NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.0791 8.2993 121.7715 56.7389 32.6084 174.9493 22 T 4.2969 7.6014 114.6960 58.8107 70.0443 169.9386 23 E 4.9424 7.5199 118.6949 55.7641 33.3214 176.5956 24 W 5.2395 8.6072 118.6942 53.3890 29.6393 174.4092 25 P 4.3026 0.0000 0.0000 65.7538 31.7255 178.7724 26 E 4.1409 8.4099 114.5501 58.2952 29.4501 177.6791 27 L 4.5050 8.2871 119.7672 54.9397 42.9506 177.7282 28 V 3.2458 7.3177 110.7073 62.3024 32.9092 176.9305 29 G 4.0175 8.3790 113.8872 45.2713 0.0000 172.8335 30 K 4.4014 7.7284 119.2676 55.1973 34.2649 177.4619 31 S 4.6892 8.7810 116.0174 57.5170 64.2753 175.4766 32 V 3.5828 7.7562 122.8422 65.2916 30.7342 178.4868 33 E 3.9097 7.8860 119.5046 58.7977 29.3602 178.9446 34 E 3.9719 8.2021 117.9365 59.3534 29.4373 179.2990 35 A 3.8040 7.8325 120.1107 55.0984 18.4641 179.6480 36 K 3.6915 8.1063 117.2765 59.5603 31.9341 179.7320 37 K 3.8828 8.4129 118.8452 59.3997 31.8267 179.4550 38 V 3.7822 7.3257 116.9120 66.1346 31.7210 177.8966 39 I 3.3864 7.5445 119.2900 64.1596 36.9029 178.4569 40 L 4.1304 7.8411 119.8104 57.7591 41.3294 180.7859 41 Q 4.5213 8.7369 117.7199 55.5079 28.9111 176.0822 42 D 4.8660 8.4693 120.5945 55.2290 47.3800 176.3855 43 K 4.6385 8.5665 120.4307 53.2034 32.5147 173.9891 44 P 4.1270 0.0000 0.0000 65.1075 31.6591 177.1523 45 A 4.3615 7.9101 116.7802 51.5605 18.9452 176.3681 46 A 4.0572 7.6171 118.9491 53.4117 19.0585 178.2332 47 Q 4.2568 9.2816 123.0313 55.0602 29.5381 174.7901 48 I 4.7579 8.0740 125.3266 59.8512 38.8572 175.3664 49 I 4.4541 8.1850 126.2172 59.0979 41.0963 173.8970 50 V 4.5208 8.3348 129.1853 61.7438 32.7724 174.8690 51 L 4.8916 8.6253 126.6853 52.0939 46.2254 174.2929 52 P 4.7774 0.0000 0.0000 62.8155 32.0102 176.6843 53 V 3.8178 8.2731 122.3503 62.2328 32.4744 175.7265 54 G 3.7948 8.7031 108.6794 47.2672 0.0000 173.4011 55 T 4.7052 7.8064 107.3885 59.3202 71.7371 173.0390 56 I 4.3743 8.0508 122.8240 60.2886 38.6489 175.7797 57 V 4.6304 7.9014 115.8817 59.1980 35.5408 175.5888 58 T 4.0905 8.4680 111.6876 62.6177 68.7903 173.8710 59 R 4.7102 8.1921 119.9394 55.9131 30.9061 176.9764 60 S 4.3366 8.0812 111.4977 58.2600 63.8762 172.8074 61 Y 4.5430 8.4580 122.2869 56.0210 39.8699 175.0548 62 R 4.3533 7.7563 126.8743 53.8964 32.1003 176.8067 63 I 3.4120 8.2135 123.9297 64.1808 38.2641 176.5824 64 D 4.5067 7.9779 119.4477 56.3658 41.9584 176.3053 65 R 4.8568 8.0227 119.5868 54.9722 32.3685 175.6129 66 V 4.6871 8.4379 124.9808 61.2688 34.3461 174.3896 67 R 4.5222 8.6231 127.2888 55.3706 31.4817 176.1101 68 L 4.5054 8.7722 123.1438 52.9966 44.6725 175.5174 69 F 5.1611 8.7011 123.5571 56.2890 40.6456 175.4670 70 V 5.0554 8.3630 117.4193 59.3171 35.0982 175.9140 71 D 4.9916 8.7352 123.2913 52.4825 40.4550 177.3853 72 R 4.0855 8.4443 117.1911 58.2404 29.9074 177.5137 73 L 4.3933 8.1616 119.3632 54.4581 42.1236 176.4560 74 D 4.4859 8.1174 116.9791 54.3894 37.8798 177.0398 75 N 5.2611 8.1404 116.6004 51.6078 41.1146 174.6196 76 I 4.0116 8.1048 122.3532 62.2421 37.3803 176.6138 77 A 4.4293 8.9024 128.8725 52.7948 19.8379 176.8830 78 Q 4.5533 7.7270 112.7427 53.5026 32.6814 174.5664 79 V 3.7116 8.6000 120.4626 63.1646 32.0163 174.0950 80 P 4.7290 0.0000 0.0000 63.0145 32.6575 175.5493 81 R 5.3114 8.4594 121.6247 54.9405 33.2249 174.9678 82 V 3.9736 8.6971 120.2133 61.9909 32.3886 176.6961 83 G 3.5477 9.0612 113.5306 45.6004 0.0000 173.6697 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 21 K 8.30 4.08 0.00 1.64 1.65 0.00 1.58 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.25 7.81 22 T 7.60 4.30 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 1.19 0.00 0.00 23 E 7.52 4.94 0.00 2.30 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 0.00 2.14 1.85 0.00 24 W 8.61 5.24 0.00 3.49 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 25 P 0.00 4.30 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 26 E 8.41 4.14 0.00 2.18 2.28 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 2.57 2.45 0.00 27 L 8.29 4.50 0.00 1.96 1.74 0.72 0.88 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 28 V 7.32 3.25 2.11 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 0.72 0.00 0.00 0.98 0.00 0.00 29 G 8.38 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 30 K 7.73 4.40 0.00 1.83 1.84 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 31 S 8.78 4.69 0.00 3.88 3.74 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 32 V 7.76 3.58 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 0.76 0.00 0.00 0.89 0.00 0.00 33 E 7.89 3.91 0.00 2.06 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 2.33 2.22 0.00 34 E 8.20 3.97 0.00 1.98 1.99 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 2.39 2.59 0.00 35 A 7.83 3.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.69 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.59 7.81 37 K 8.41 3.88 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 V 7.33 3.78 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 0.95 0.00 0.00 1.01 0.00 0.00 39 I 7.54 3.39 1.52 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.40 0.00 0.00 40 L 7.84 4.13 0.00 1.69 1.68 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.74 4.52 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 42 D 8.47 4.87 0.00 3.04 2.91 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 0.00 0.00 0.00 43 K 8.57 4.64 0.00 1.88 1.93 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.48 7.81 44 P 0.00 4.13 0.00 2.10 2.14 0.00 4.02 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 45 A 7.91 4.36 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 46 A 7.62 4.06 1.25 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 0.00 0.00 47 Q 9.28 4.26 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 48 I 8.07 4.76 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.78 0.00 0.00 49 I 8.18 4.45 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.42 0.79 0.00 0.00 50 V 8.33 4.52 2.02 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 0.80 0.00 0.00 0.86 0.00 0.00 51 L 8.63 4.89 0.00 1.36 1.51 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.78 0.00 1.99 2.04 0.00 3.72 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 2.07 2.12 0.00 53 V 8.27 3.82 2.26 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 0.69 0.00 0.00 0.93 0.00 0.00 54 G 8.70 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 0.00 0.00 0.00 55 T 7.81 4.71 4.31 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 1.28 0.00 0.00 56 I 8.05 4.37 1.89 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 1.41 0.86 0.93 0.00 0.00 57 V 7.90 4.63 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 0.97 0.00 0.00 1.09 0.00 0.00 58 T 8.47 4.09 4.27 0.00 0.00 0.00 0.00 0.00 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 59 R 8.19 4.71 0.00 1.83 2.00 0.00 3.42 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 60 S 8.08 4.34 0.00 4.01 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 61 Y 8.46 4.54 0.00 2.90 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 62 R 7.76 4.35 0.00 1.75 1.70 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 63 I 8.21 3.41 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.87 0.00 0.00 64 D 7.98 4.51 0.00 2.67 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 65 R 8.02 4.86 0.00 1.84 1.82 0.00 2.99 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 66 V 8.44 4.69 1.95 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 0.78 0.00 0.00 1.00 0.00 0.00 67 R 8.62 4.52 0.00 1.59 1.17 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 68 L 8.77 4.51 0.00 1.35 1.45 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.70 5.16 0.00 3.01 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 70 V 8.36 5.06 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 0.84 0.00 0.00 0.94 0.00 0.00 71 D 8.74 4.99 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.09 0.00 1.81 2.04 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 73 L 8.16 4.39 0.00 1.83 1.68 0.93 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 74 D 8.12 4.49 0.00 2.77 2.69 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 75 N 8.14 5.26 0.00 3.09 2.72 0.00 0.00 7.06 6.71 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 76 I 8.10 4.01 2.28 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.99 0.00 0.00 77 A 8.90 4.43 1.31 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 0.00 0.00 78 Q 7.73 4.55 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 79 V 8.60 3.71 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 0.88 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.73 0.00 2.33 1.99 0.00 4.01 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 81 R 8.46 5.31 0.00 1.91 1.90 0.00 3.33 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 82 V 8.70 3.97 2.16 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 0.87 0.00 0.00 1.07 0.00 0.00 83 G 9.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00