NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3361 8.1744 110.9431 61.3301 70.4529 173.3796 6 N 4.7429 7.9587 119.4424 53.3611 39.2339 173.4848 7 S 4.4905 8.1553 112.0624 57.2882 64.9555 173.0368 8 D 4.7926 8.5857 121.6431 54.7933 42.2547 174.6155 9 F 5.3242 7.9331 116.1995 55.2532 41.5721 173.8917 10 V 4.5757 8.6923 111.9543 59.5146 35.3986 174.8654 11 V 4.7929 8.6138 123.4677 61.2774 33.9714 174.3953 12 I 4.9385 8.8461 128.3763 59.3922 40.5770 174.1109 13 K 4.9764 9.1964 129.1697 54.2895 34.3216 175.0941 14 A 4.4501 8.9025 130.4033 52.1839 19.2290 177.4197 15 L 4.7566 8.8099 121.7950 54.5110 42.6074 175.8456 16 E 4.6510 7.6460 115.5856 55.1028 32.1655 174.4101 17 D 4.4941 8.3700 119.2444 55.5145 41.3807 176.9530 18 G 3.8731 8.7747 108.9352 45.8284 0.0000 173.8403 19 V 3.8799 7.4264 120.3946 62.9600 32.8255 174.5636 20 N 5.3243 9.1331 125.0707 51.5336 41.3455 173.6142 21 V 4.5109 8.6393 125.0417 61.4440 33.4444 174.3650 22 I 4.6031 8.6087 130.0012 59.2828 39.8517 175.0438 23 G 4.1291 8.7646 115.4446 45.2219 0.0000 172.6278 24 L 5.3263 8.9754 127.1674 53.6568 43.6274 176.5519 25 T 4.5757 8.8118 114.5336 61.6158 69.3061 174.3947 26 R 4.2942 7.8529 126.2003 57.3038 30.8454 175.2609 27 G 3.8416 8.7610 108.7420 44.1676 0.0000 173.1157 28 A 4.0562 8.6871 120.9257 54.4372 18.7166 177.6929 29 D 4.8324 7.8283 113.9562 53.2366 42.6786 176.1055 30 T 4.7182 8.2569 121.8346 61.4859 69.8492 172.6698 31 R 4.7048 8.9943 122.6967 53.9631 33.9461 174.0329 32 F 5.4550 8.6816 117.8602 57.3688 39.2417 175.7897 33 H 4.9718 9.0849 118.5538 56.4479 30.5167 174.2287 34 H 4.8385 7.6396 117.6022 54.7893 33.4178 171.9096 35 S 4.8065 8.2268 119.1991 56.4137 64.5817 172.3483 36 E 4.4679 9.1757 129.3854 54.8522 31.1066 174.5801 37 K 4.8847 8.5917 126.4968 55.1193 33.6555 175.7670 38 L 4.9534 8.9906 125.1810 53.0508 44.7501 176.1124 39 D 4.6762 9.1308 123.0857 52.7491 42.9733 175.9398 40 K 4.0188 8.7863 121.9250 58.5977 32.2998 177.1797 41 G 4.0294 9.3584 115.5415 45.2581 0.0000 173.5095 42 E 4.2541 8.0962 119.6593 56.2804 30.7787 176.0163 43 V 4.9077 8.3024 121.9953 61.0081 34.3594 174.2038 44 L 4.7526 8.9195 129.3982 53.2559 44.7601 174.7881 45 I 4.9745 8.4589 126.3710 59.5713 39.2966 174.7624 46 A 4.6980 9.0353 129.0352 50.1593 22.0511 175.2520 47 Q 4.7889 8.6237 120.8277 54.8735 30.4117 175.8836 48 F 4.5315 8.3143 120.5504 58.0873 39.7956 174.9528 49 T 4.6973 8.7990 111.3438 60.0798 71.9562 173.0821 50 E 4.0018 8.9583 121.4064 59.5817 29.5794 177.4118 51 H 4.5109 8.1545 114.0471 56.7087 29.7261 174.2811 52 T 5.2493 8.0120 116.1303 61.9362 71.3752 174.3693 53 S 5.0599 8.9858 119.8948 57.9836 64.7860 173.4234 54 A 5.1270 7.9310 121.3818 51.1312 22.6080 175.2009 55 I 4.9716 8.5754 120.7825 59.3256 40.5109 174.7427 56 K 4.5760 9.1925 128.3827 54.4774 34.7958 174.6488 57 V 4.7501 8.4149 126.7173 61.2437 33.5156 174.4998 58 R 4.5395 9.1531 127.6474 55.5366 32.6025 176.4806 59 G 4.1241 9.0027 109.0748 44.1851 0.0000 172.5254 60 K 4.5269 9.1778 120.6216 56.0722 33.0081 175.6043 61 A 5.1026 8.7343 127.8914 51.0221 23.5024 173.6412 62 Y 5.0796 9.1120 121.2798 55.9761 41.3124 174.5650 63 I 4.8544 8.4506 127.1611 59.4960 40.6741 174.2820 64 Q 5.0246 8.9308 126.3413 54.3182 31.7736 174.9531 65 T 4.8116 8.5059 112.8985 59.5972 72.3685 174.5530 66 R 3.7616 8.5243 120.3900 59.4356 29.9458 176.6722 67 H 4.6686 8.8923 112.7458 55.6195 29.5108 175.2709 68 G 3.7574 6.5154 106.5360 44.1871 0.0000 172.7477 69 V 4.7700 7.6675 112.7409 59.9686 34.8417 175.1231 70 I 4.4645 8.1407 120.8030 60.2391 41.8987 172.7582 71 E 5.3249 8.7094 126.3542 54.5735 31.7249 176.0744 72 S 4.6509 8.8054 119.0128 57.9112 65.1994 172.8842 73 E 4.8132 8.6116 119.4945 54.5628 33.1388 176.2073 74 G 3.7291 8.6663 110.7362 45.7449 0.0000 173.5125 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 5 T 8.17 4.34 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 6 N 7.96 4.74 0.00 2.80 2.85 0.00 0.00 7.15 6.75 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 7 S 8.16 4.49 0.00 4.13 3.93 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 8 D 8.59 4.79 0.00 2.84 2.70 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 0.00 0.00 0.00 0.00 9 F 7.93 5.32 0.00 3.01 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 10 V 8.69 4.58 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 0.60 0.00 0.00 0.86 0.00 0.00 11 V 8.61 4.79 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 1.12 0.00 0.00 1.14 0.00 0.00 12 I 8.85 4.94 1.86 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 1.07 0.62 0.90 0.00 0.00 13 K 9.20 4.98 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.90 4.45 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.81 4.76 0.00 1.65 1.71 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.65 0.00 2.03 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 2.19 2.32 0.00 17 D 8.37 4.49 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 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 19 V 7.43 3.88 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 0.88 0.00 0.00 1.03 0.00 0.00 20 N 9.13 5.32 0.00 2.62 2.59 0.00 0.00 6.30 8.45 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 21 V 8.64 4.51 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 0.82 0.00 0.00 0.89 0.00 0.00 22 I 8.61 4.60 1.47 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.23 -0.35 0.00 0.00 23 G 8.76 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 5.33 0.00 1.88 1.72 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.58 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 1.38 0.00 0.00 26 R 7.85 4.29 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.76 3.84 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 0.00 0.00 0.00 28 A 8.69 4.06 1.29 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 0.00 0.00 0.00 29 D 7.83 4.83 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.72 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 1.28 0.00 0.00 31 R 8.99 4.70 0.00 1.81 1.99 0.00 2.78 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.68 5.46 0.00 2.95 2.85 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 33 H 9.08 4.97 0.00 3.15 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.84 0.00 3.26 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.23 4.81 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.47 0.00 2.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 37 K 8.59 4.88 0.00 1.64 1.71 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.49 7.81 38 L 8.99 4.95 0.00 1.51 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.13 4.68 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.02 0.00 1.74 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.36 4.03 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 0.00 0.00 0.00 42 E 8.10 4.25 0.00 2.05 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 2.33 2.35 0.00 43 V 8.30 4.91 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 0.86 0.00 0.00 0.97 0.00 0.00 44 L 8.92 4.75 0.00 1.75 1.45 0.90 1.13 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 45 I 8.46 4.97 1.77 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 1.29 0.77 0.77 0.00 0.00 46 A 9.04 4.70 1.11 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 0.00 0.00 47 Q 8.62 4.79 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.31 4.53 0.00 3.03 3.02 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 49 T 8.80 4.70 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 1.28 0.00 0.00 50 E 8.96 4.00 0.00 1.93 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 2.11 2.30 0.00 51 H 8.15 4.51 0.00 3.23 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 5.25 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 53 S 8.99 5.06 0.00 3.83 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 54 A 7.93 5.13 1.30 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 0.00 0.00 0.00 55 I 8.58 4.97 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.84 0.00 0.00 56 K 9.19 4.58 0.00 1.76 1.50 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.41 4.75 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 0.89 0.00 0.00 58 R 9.15 4.54 0.00 1.73 1.79 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 59 G 9.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.18 4.53 0.00 1.95 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.73 5.10 1.22 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 0.00 0.00 0.00 62 Y 9.11 5.08 0.00 2.99 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 63 I 8.45 4.85 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.82 0.00 0.00 64 Q 8.93 5.02 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 65 T 8.51 4.81 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.52 3.76 0.00 1.59 1.72 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 H 8.89 4.67 0.00 3.17 3.27 0.00 5.70 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 68 G 6.52 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 4.77 1.94 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 0.70 0.00 0.00 1.00 0.00 0.00 70 I 8.14 4.46 1.84 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 1.22 0.99 0.86 0.00 0.00 71 E 8.71 5.32 0.00 1.92 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 2.54 2.48 0.00 72 S 8.81 4.65 0.00 3.92 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 73 E 8.61 4.81 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.67 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00