NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4600 8.3033 118.6697 56.3947 31.9730 174.7561 4 R 4.6439 8.5975 124.5881 54.6514 31.8591 174.1087 5 G 4.6326 9.4324 108.8440 44.8017 0.0000 170.5472 6 I 5.0289 8.6006 119.8573 58.8257 41.1333 174.5647 7 V 4.4122 8.8557 129.9363 63.1285 32.1375 176.1213 8 Q 4.5193 9.3513 125.8516 56.1103 30.2533 175.2310 9 Y 4.5351 7.6245 115.2145 55.7029 41.9311 174.9091 10 D 4.8124 8.6565 122.2114 54.7851 42.0626 175.8499 11 F 4.9738 9.3819 124.3867 57.3519 43.2388 172.3513 12 M 4.5679 8.1704 126.0473 53.2991 33.4412 175.2545 13 A 3.9820 8.3664 128.5921 52.7417 18.7883 177.0526 14 E 4.4659 9.5021 120.6349 56.1586 31.0034 175.9009 15 S 4.6239 7.4643 112.5807 56.7707 65.4081 174.3916 16 Q 4.2350 8.5171 123.1311 57.6269 28.8925 177.1292 17 D 4.4766 7.9511 117.4327 55.0264 40.0853 175.9193 18 E 5.0650 7.8523 119.3775 55.4971 31.1158 175.3814 19 L 4.8363 8.6495 123.8353 53.5608 44.1460 176.1412 20 T 4.6254 8.6894 123.6974 63.5875 69.1854 173.8831 21 I 5.0153 9.2083 119.0001 59.3903 41.9516 174.0204 22 K 5.1802 9.3216 121.8674 54.0779 36.0730 176.3374 23 S 4.3726 8.9895 118.6248 60.3599 63.1039 174.9292 24 G 3.9885 8.9629 112.6336 45.2088 0.0000 173.6550 25 D 4.5378 8.0438 120.1945 54.4211 42.1706 175.7077 26 K 4.8095 8.5392 121.5067 55.6954 34.0204 176.1384 27 V 4.8397 8.6058 116.4238 59.8329 36.4834 173.8040 28 Y 5.1900 8.7247 120.0052 56.7618 40.0762 175.4482 29 I 4.3767 8.9689 125.8289 60.5950 36.7928 175.7729 30 L 4.2635 8.9161 129.1828 57.3584 42.5242 177.6431 31 D 4.6635 7.7611 117.0427 53.0144 44.5049 175.3388 32 D 4.3164 8.3896 122.4445 52.5926 40.4163 176.4577 33 K 4.2008 8.3148 120.4836 59.0876 32.4646 178.6416 34 K 4.1960 8.2296 117.5958 58.6896 32.2286 177.3121 35 S 4.7154 7.6814 111.6815 56.6987 65.2249 173.8278 36 K 4.3376 8.7951 125.7190 58.2065 32.6428 177.2544 37 D 4.3719 8.2922 118.6928 54.7299 42.9379 176.6519 38 W 5.2495 7.9585 116.9834 54.7093 32.4870 174.9594 39 W 5.2498 9.0867 124.9958 55.2830 31.5412 174.9124 40 M 4.9110 8.7685 123.8490 55.2127 33.0155 174.8333 41 C 5.5600 9.4066 123.2017 58.0207 33.3762 172.6403 42 Q 5.0793 9.0107 121.6954 54.1346 31.8830 174.5151 43 L 4.4540 9.0618 127.6461 54.8581 42.2084 178.0456 44 V 3.3738 8.4115 124.9889 66.5577 31.3825 177.3424 45 D 4.5053 8.2169 118.6310 57.3525 40.9785 177.9627 46 S 4.1901 8.0613 111.5664 58.9490 63.5107 175.3420 47 G 3.9763 8.1852 107.7070 45.3915 0.0000 173.8036 48 K 4.4402 7.8261 119.9657 56.3576 33.1892 176.2535 49 S 5.1995 9.3337 116.7449 56.1941 66.7493 173.3160 50 G 4.0843 7.9409 106.6517 46.4773 0.0000 171.1452 51 L 5.2224 8.2971 120.1091 54.5295 43.1765 177.1033 52 V 4.8583 8.9896 114.5657 58.8529 36.8724 173.2489 53 P 3.2611 0.0000 0.0000 61.7803 31.6329 177.6938 54 A 2.6323 7.5628 126.8541 54.6314 18.1892 178.8099 55 Q 4.0561 7.0797 110.4794 56.9398 29.1270 176.3600 56 F 4.8532 7.7917 117.6523 58.0570 39.5990 174.8555 57 I 5.0494 7.2580 121.7654 59.3085 39.5872 174.4622 58 E 4.7898 8.9398 128.0687 53.5520 31.7208 173.4999 59 P 4.9377 0.0000 0.0000 62.7614 32.4247 176.8177 60 V 3.9629 8.3366 121.6392 61.8708 31.5548 175.7614 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 3 E 8.30 4.46 0.00 1.68 1.93 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 2.21 1.92 0.00 4 R 8.60 4.64 0.00 1.92 1.92 0.00 3.10 0.00 0.00 3.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.85 0.00 5 G 9.43 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.60 5.03 1.89 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 1.11 1.35 0.99 0.00 0.00 7 V 8.86 4.41 2.29 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 1.07 0.00 0.00 1.03 0.00 0.00 8 Q 9.35 4.52 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.43 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 9 Y 7.62 4.54 0.00 1.44 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 0.00 0.00 0.00 0.00 10 D 8.66 4.81 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.38 4.97 0.00 3.47 3.09 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 0.00 0.00 0.00 0.00 12 M 8.17 4.57 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 13 A 8.37 3.98 1.28 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 0.00 0.00 0.00 0.00 0.00 14 E 9.50 4.47 0.00 1.93 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 0.00 2.19 2.28 0.00 15 S 7.46 4.62 0.00 3.73 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 16 Q 8.52 4.24 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 17 D 7.95 4.48 0.00 2.76 2.86 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 18 E 7.85 5.06 0.00 2.12 2.30 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 2.17 2.13 0.00 19 L 8.65 4.84 0.00 1.72 1.72 0.96 1.06 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 20 T 8.69 4.63 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 1.22 0.00 0.00 21 I 9.21 5.02 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 1.11 0.00 0.00 22 K 9.32 5.18 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.50 7.81 23 S 8.99 4.37 0.00 3.84 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 24 G 8.96 3.99 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 0.00 0.00 0.00 25 D 8.04 4.54 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.81 0.00 1.60 1.58 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 27 V 8.61 4.84 2.18 0.00 0.00 0.00 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 1.03 0.00 0.00 28 Y 8.72 5.19 0.00 2.90 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 29 I 8.97 4.38 1.80 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 1.38 0.58 0.52 0.00 0.00 30 L 8.92 4.26 0.00 1.66 1.74 0.98 1.29 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 31 D 7.76 4.66 0.00 2.74 2.45 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 32 D 8.39 4.32 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.20 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.34 7.81 34 K 8.23 4.20 0.00 1.82 1.91 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.51 7.81 35 S 7.68 4.72 0.00 3.91 4.10 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 0.00 0.00 0.00 0.00 36 K 8.80 4.34 0.00 1.80 1.84 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 37 D 8.29 4.37 0.00 2.69 2.33 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 38 W 7.96 5.25 0.00 3.14 3.12 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 39 W 9.09 5.25 0.00 3.22 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 40 M 8.77 4.91 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 41 C 9.41 5.56 0.00 2.99 2.86 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 42 Q 9.01 5.08 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 43 L 9.06 4.45 0.00 1.64 1.59 0.97 0.61 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 44 V 8.41 3.37 1.91 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 0.68 0.00 0.00 0.13 0.00 0.00 45 D 8.22 4.51 0.00 2.71 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 46 S 8.06 4.19 0.00 4.00 4.01 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 0.00 0.00 0.00 47 G 8.19 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 48 K 7.83 4.44 0.00 1.80 1.78 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 49 S 9.33 5.20 0.00 3.92 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 50 G 7.94 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 0.00 0.00 0.00 51 L 8.30 5.22 0.00 1.59 1.83 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.99 4.86 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 0.95 0.00 0.00 1.06 0.00 0.00 53 P 0.00 3.26 0.00 0.49 0.49 0.00 2.79 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.52 0.00 54 A 7.56 2.63 0.13 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 55 Q 7.08 4.06 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.85 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 56 F 7.79 4.85 0.00 2.98 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 57 I 7.26 5.05 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.08 1.19 0.00 0.00 58 E 8.94 4.79 0.00 2.27 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 2.24 2.35 0.00 59 P 0.00 4.94 0.00 2.04 2.02 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 60 V 8.34 3.96 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 0.73 0.00 0.00 0.95 0.00 0.00