NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0696 8.0544 120.3122 61.1299 32.9815 174.8404 10 N 4.2673 8.4909 122.4947 53.0537 39.3747 170.4857 11 V 3.8731 9.2639 118.2098 62.8376 32.4588 175.9602 12 Q 4.5876 7.9090 117.4522 55.5876 31.0952 176.1355 13 R 4.6150 7.6154 118.3514 53.0547 29.7895 174.3328 14 P 4.2319 0.0000 0.0000 65.8587 31.4997 178.0557 15 L 4.1070 7.8473 116.5658 56.2513 41.6325 178.5125 16 D 4.4777 8.4284 119.9551 57.0370 40.8440 178.2744 17 A 4.0280 8.1401 121.6005 54.9860 18.0885 179.6311 18 L 3.8914 7.6825 117.8371 57.5006 41.1740 179.7442 19 G 3.8915 7.9275 105.4778 47.2971 0.0000 174.7178 20 N 4.8068 7.6285 115.0989 53.9197 39.1640 175.6180 21 S 4.6704 7.4238 116.1266 57.7911 63.8422 173.6171 22 L 4.2138 7.4020 121.6708 56.7502 41.3819 176.8795 23 N 4.5983 9.6025 121.2153 53.2974 36.6265 173.8676 24 S 4.9904 7.8504 112.1717 55.3356 67.1268 171.4218 25 P 4.9913 0.0000 0.0000 63.4118 31.9148 175.6000 26 V 4.9506 8.9332 114.8300 59.8904 37.0090 174.1342 27 I 4.8563 9.2896 123.2426 59.7358 40.2164 174.8156 28 I 4.5258 8.8763 128.7471 59.4285 39.4721 174.4618 29 K 4.6651 8.2675 129.5101 54.8221 33.8398 175.7742 30 L 5.0369 8.6340 127.6078 52.8323 44.4000 176.2984 31 K 4.1790 8.4944 120.8407 58.0520 32.3245 178.1644 32 G 3.8554 8.6304 110.9716 44.8919 0.0000 173.9523 33 D 4.6437 7.9089 117.5993 54.1000 39.5527 174.6254 34 R 4.2016 7.6302 118.4292 56.5826 31.6283 175.0438 35 E 5.1227 8.7088 121.5676 54.6048 33.2262 174.2989 36 F 5.1614 9.4314 124.8381 55.7890 42.9857 174.5018 37 R 5.0156 8.3115 120.3083 53.8008 34.4529 175.0593 38 G 4.2723 8.1387 108.0805 46.4126 0.0000 171.0821 39 V 4.6623 8.2796 120.5442 61.2726 33.2473 175.8390 40 L 4.3506 8.7463 130.8813 55.3968 42.4352 176.9720 41 K 4.6046 8.6902 125.4083 57.7511 34.6755 176.5447 42 S 4.8102 7.9068 111.5012 57.8397 65.8891 174.0798 43 F 5.8437 8.1834 114.5525 56.5030 40.4543 172.3785 44 D 4.9830 8.4396 119.8587 50.6627 42.3841 176.2588 45 L 3.4837 8.7086 119.4833 59.3797 39.7756 177.9900 46 H 4.3940 8.6454 114.4497 56.2193 28.9265 176.2578 47 M 3.3689 9.1479 119.5009 55.6283 29.9534 176.4747 48 N 4.9649 8.1582 116.7614 53.5389 40.0817 173.9449 49 L 5.2079 8.9994 121.4672 54.5638 44.8822 174.5278 50 V 4.9338 8.7710 119.7175 61.1697 34.2464 174.2694 51 L 5.4091 9.0307 127.2539 53.1328 45.2148 175.1333 52 N 5.1076 9.0796 119.3834 51.9545 41.5979 174.5139 53 D 4.4279 8.7988 118.6085 55.1762 38.4601 173.8750 54 A 4.9441 8.4945 119.9406 52.1859 20.3507 177.4442 55 E 4.7722 8.4165 117.9811 55.3490 33.2877 173.3098 56 E 3.9565 9.2096 128.9524 54.4668 31.5338 174.6147 57 L 5.2238 8.9147 125.5051 53.2476 46.4633 175.9320 58 E 4.5042 8.9631 120.5466 55.1698 32.0913 175.0588 59 D 4.1860 8.8162 127.5336 55.0503 37.2897 176.7805 60 G 3.8702 7.9176 104.8124 46.2121 0.0000 172.6456 61 E 4.2214 8.0293 120.7960 54.9134 29.8144 176.0208 62 V 4.0376 8.3457 125.0900 63.1993 31.9179 175.3900 63 T 4.4220 8.3956 117.7465 62.4995 70.2934 174.8173 64 R 4.4799 7.4209 119.7262 55.4212 33.5363 173.2145 65 R 4.7999 8.6653 124.2648 54.7085 31.5364 175.6882 66 L 4.4341 8.4694 122.7178 53.6936 43.9100 179.0191 67 G 3.8487 8.4799 108.7918 46.8108 0.0000 175.7913 68 T 5.2053 8.9694 118.6078 62.0637 69.6884 173.8649 69 V 4.5469 8.9349 125.5491 59.7992 35.5689 174.1283 70 L 4.9989 8.5049 124.0933 53.6834 43.5973 175.2223 71 I 4.3501 8.6528 128.1565 59.3137 39.5684 175.7251 72 R 4.4288 8.4824 126.3801 55.6483 30.9899 178.0209 73 G 3.7277 9.1903 111.5986 47.7101 0.0000 175.0580 74 D 4.3431 8.1930 118.7535 57.2502 41.3386 176.8638 75 N 4.5918 7.9029 115.2046 54.2729 39.1253 175.1363 76 I 3.9996 7.2571 119.9111 61.3946 37.7697 175.5155 77 V 4.2555 8.9079 126.0493 64.6852 32.5101 175.1898 78 Y 4.9515 7.1161 115.7147 56.2272 41.1060 173.0145 79 I 5.3525 8.5263 120.3877 59.7338 40.7304 174.9317 80 S 4.8575 9.0772 119.7796 56.5012 66.9957 173.5143 81 R 4.3099 8.7182 119.3938 56.5295 30.7167 176.7567 82 G 4.2524 7.9787 109.4484 46.4256 0.0000 172.6973 83 K 3.5387 8.7276 122.6835 59.9579 32.7554 176.0586 84 L 4.2493 8.2328 116.2963 55.4222 41.7186 170.1863 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 V 8.05 4.07 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 0.93 0.00 0.00 10 N 8.49 4.27 0.00 2.87 2.74 0.00 0.00 7.23 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 11 V 9.26 3.87 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 7.91 4.59 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.29 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 13 R 7.62 4.61 0.00 1.87 1.86 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 14 P 0.00 4.23 0.00 2.24 2.32 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 15 L 7.85 4.11 0.00 1.78 1.80 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.43 4.48 0.00 3.03 2.73 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 17 A 8.14 4.03 1.33 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 0.00 0.00 18 L 7.68 3.89 0.00 0.97 0.13 0.26 0.67 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 19 G 7.93 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 20 N 7.63 4.81 0.00 2.82 2.88 0.00 0.00 6.83 7.45 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 S 7.42 4.67 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.40 4.21 0.00 1.70 1.69 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.60 4.60 0.00 2.87 3.07 0.00 0.00 6.84 7.30 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 24 S 7.85 4.99 0.00 3.89 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 25 P 0.00 4.99 0.00 2.15 2.23 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 2.08 2.01 0.00 26 V 8.93 4.95 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 0.87 0.00 0.00 0.99 0.00 0.00 27 I 9.29 4.86 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.91 0.00 0.00 28 I 8.88 4.53 1.91 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 1.08 0.60 0.85 0.00 0.00 29 K 8.27 4.67 0.00 1.13 0.74 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.18 1.26 7.81 30 L 8.63 5.04 0.00 1.64 1.55 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.49 4.18 0.00 1.74 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.59 7.81 32 G 8.63 3.86 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 0.00 0.00 0.00 33 D 7.91 4.64 0.00 2.91 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 34 R 7.63 4.20 0.00 1.79 1.96 0.00 3.25 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 35 E 8.71 5.12 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 36 F 9.43 5.16 0.00 2.96 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 37 R 8.31 5.02 0.00 1.66 1.76 0.00 3.16 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 38 G 8.14 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 0.00 0.00 0.00 0.00 39 V 8.28 4.66 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 1.02 0.00 0.00 0.95 0.00 0.00 40 L 8.75 4.35 0.00 1.86 1.74 0.98 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.69 4.60 0.00 1.79 1.82 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.68 7.81 42 S 7.91 4.81 0.00 3.78 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 43 F 8.18 5.84 0.00 3.23 3.04 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 0.00 0.00 0.00 44 D 8.44 4.98 0.00 2.90 2.77 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 0.00 0.00 0.00 45 L 8.71 3.48 0.00 1.75 1.90 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.65 4.39 0.00 3.50 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 9.15 3.37 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 48 N 8.16 4.96 0.00 2.97 2.74 0.00 0.00 6.54 6.74 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 49 L 9.00 5.21 0.00 1.86 1.79 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.77 4.93 2.10 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 0.98 0.00 0.00 0.93 0.00 0.00 51 L 9.03 5.41 0.00 1.64 1.57 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.08 5.11 0.00 2.71 2.72 0.00 0.00 7.15 8.79 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 53 D 8.80 4.43 0.00 2.80 2.73 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 54 A 8.49 4.94 1.42 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 0.00 0.00 0.00 55 E 8.42 4.77 0.00 1.98 1.68 0.00 0.00 0.00 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 2.23 0.00 56 E 9.21 3.96 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 57 L 8.91 5.22 0.00 1.50 1.43 0.81 0.98 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 58 E 8.96 4.50 0.00 1.73 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 0.00 2.22 2.25 0.00 59 D 8.82 4.19 0.00 2.94 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 60 G 7.92 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 61 E 8.03 4.22 0.00 2.25 1.87 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 2.28 2.38 0.00 62 V 8.35 4.04 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 0.81 0.00 0.00 0.94 0.00 0.00 63 T 8.40 4.42 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 1.28 0.00 0.00 64 R 7.42 4.48 0.00 1.82 1.67 0.00 3.16 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 65 R 8.67 4.80 0.00 1.67 1.81 0.00 3.26 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 66 L 8.47 4.43 0.00 1.63 1.78 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.48 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 0.00 0.00 0.00 68 T 8.97 5.21 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 1.26 0.00 0.00 69 V 8.93 4.55 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 0.89 0.00 0.00 0.88 0.00 0.00 70 L 8.50 5.00 0.00 1.61 1.57 0.93 0.97 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 71 I 8.65 4.35 1.72 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.35 0.68 0.00 0.00 72 R 8.48 4.43 0.00 1.83 1.82 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 73 G 9.19 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 74 D 8.19 4.34 0.00 2.64 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 75 N 7.90 4.59 0.00 2.71 2.81 0.00 0.00 7.00 7.19 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 76 I 7.26 4.00 2.02 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 1.11 0.41 0.87 0.00 0.00 77 V 8.91 4.26 2.12 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 0.90 0.00 0.00 0.94 0.00 0.00 78 Y 7.12 4.95 0.00 3.03 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 79 I 8.53 5.35 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.95 0.00 0.00 80 S 9.08 4.86 0.00 3.90 4.06 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 81 R 8.72 4.31 0.00 1.73 1.91 0.00 3.16 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 82 G 7.98 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 0.00 0.00 0.00 0.00 83 K 8.73 3.54 0.00 1.80 1.73 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 84 L 8.23 4.25 0.00 1.67 1.35 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00