NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4035 8.3193 115.3933 57.5786 64.3883 172.9227 3 N 4.3727 8.3301 117.7813 52.2500 37.5995 173.8578 4 F 4.2231 9.6260 120.7202 56.8928 40.5646 176.5821 5 D 4.5031 8.6828 126.3434 54.5052 41.1905 176.6342 6 C 4.8479 8.5878 121.7467 55.8422 41.4308 174.2991 7 C 4.4731 9.4730 122.3160 57.5156 40.0364 173.9411 8 L 4.1394 8.2431 123.3425 54.5936 42.0844 175.8285 9 G 3.6410 6.9212 105.6550 45.5318 0.0000 171.7799 10 Y 5.1227 8.0008 116.2361 55.8862 40.3087 176.1797 11 T 4.1076 8.8555 118.9911 62.7098 68.0580 173.3958 12 D 4.7165 8.5273 124.5053 55.5107 42.1233 177.6064 13 R 3.8524 7.7929 116.3774 56.3393 30.6398 175.6074 14 I 4.4233 8.1606 120.4036 59.1134 39.2169 174.4192 15 L 4.5004 8.4746 130.0810 53.7343 43.2409 175.7509 16 H 4.4048 9.0385 125.4914 55.7581 30.5414 174.2220 17 P 4.1807 0.0000 0.0000 64.9852 31.3457 178.3676 18 K 3.9420 8.0981 116.1588 58.9184 32.5651 177.6040 19 F 4.5586 8.2028 117.5761 57.7549 39.3623 174.9530 20 I 4.5979 7.5097 122.9692 60.3708 37.4217 175.8246 21 V 4.2208 8.3723 118.8434 61.1968 32.9322 175.6630 22 G 4.2890 7.7655 106.4832 46.6108 0.0000 171.7826 23 F 5.4686 8.5176 113.2223 56.0230 40.9258 173.7983 24 T 4.6321 8.9118 116.3563 61.6675 72.1826 173.0933 25 R 4.9385 8.5841 121.7334 54.8362 31.5706 175.0683 26 Q 4.5267 9.2891 124.5828 54.3909 31.2848 173.8654 27 L 5.1459 8.2259 125.6090 52.6807 44.4312 177.5754 28 A 4.8100 9.8254 126.8743 54.7295 18.5179 178.6206 29 N 4.6560 8.1101 110.2700 53.9088 37.5950 175.1745 30 E 4.4865 8.0215 117.6141 56.0507 30.1774 175.5943 31 G 4.0204 7.8027 111.3237 46.4577 0.0000 174.7882 32 C 4.5549 8.1327 116.5231 56.7452 40.8667 174.3360 33 D 4.2630 8.5681 121.4137 56.4493 40.7822 176.7047 34 I 4.8039 7.2740 110.1227 58.7180 40.8347 175.2189 35 N 4.9682 8.8361 120.1963 53.6470 39.4493 174.3225 36 A 4.8984 9.0384 122.4457 51.0824 23.6955 174.9450 37 I 4.5633 8.4276 120.6727 59.6363 39.6239 174.9397 38 I 4.7533 8.6111 128.6399 59.7577 38.9318 174.7310 39 F 5.2366 9.1898 127.3455 56.9196 40.7150 174.8084 40 H 5.4050 9.2887 120.5808 54.5164 31.4202 174.0903 41 T 5.4238 8.2102 111.7869 58.4852 71.7837 175.2098 42 K 4.1042 8.8151 120.2980 59.5209 33.1489 177.7709 43 K 4.2725 7.8838 117.6365 55.8292 31.7019 177.2639 44 K 3.7019 7.8825 117.2312 57.0169 30.1644 174.6820 45 L 4.5441 7.7189 117.7141 53.3415 42.1666 176.0310 46 S 5.2105 8.4822 119.7874 57.5892 65.0700 174.0780 47 V 4.6510 8.7572 114.3947 59.9271 35.7438 174.0374 48 C 5.2938 8.8659 120.7907 55.7713 43.2747 172.5972 49 A 5.1497 9.2154 125.2008 49.8601 22.7863 174.5099 50 N 3.5653 8.1674 118.2865 51.8463 39.2512 174.3986 51 P 4.3381 0.0000 0.0000 64.2496 31.7790 177.5928 52 K 4.1502 8.1017 117.7393 58.5786 32.6718 178.4695 53 Q 4.1269 7.6735 118.9942 55.9450 30.0128 177.3379 54 T 3.8869 8.6458 121.6107 66.6094 68.6411 176.3308 55 W 4.4932 8.3519 129.6204 60.6347 30.6992 177.9892 56 V 3.6729 7.9124 117.4704 66.1182 31.0521 177.9550 57 K 3.8989 7.9981 118.1752 59.4160 31.7468 178.6676 58 Y 4.1089 8.1763 119.8245 60.9000 38.7136 178.2797 59 I 3.1032 7.4261 120.5639 64.0300 37.2097 178.5097 60 V 3.2913 7.6104 119.0320 66.1369 31.1753 178.3730 61 R 3.9074 8.1240 117.9274 59.0317 29.7998 178.9688 62 L 3.8188 7.9694 119.2293 57.7180 41.6698 179.4860 63 L 3.9436 7.9111 118.8809 57.9304 41.5045 179.6255 64 S 4.1521 7.9845 112.5466 61.3828 62.4057 176.3632 65 K 3.9730 8.4150 121.5970 59.1654 31.4920 179.4138 66 K 3.9018 7.9679 118.2417 59.4904 32.0783 179.0812 67 V 3.7802 7.5504 119.0107 66.5223 31.5157 178.1405 68 K 4.0216 8.0916 125.0420 61.2187 31.5473 178.6660 69 N 4.4308 7.5149 119.8022 51.6109 39.7045 175.8610 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 2 S 8.32 4.40 0.00 3.93 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 3 N 8.33 4.37 0.00 2.98 2.90 0.00 0.00 6.02 6.55 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 4 F 9.63 4.22 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.68 4.50 0.00 2.70 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 6 C 8.59 4.85 0.00 2.97 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 7 C 9.47 4.47 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.14 0.00 1.58 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.92 3.64 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 0.00 0.00 0.00 10 Y 8.00 5.12 0.00 3.01 2.79 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 11 T 8.86 4.11 4.35 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 1.41 0.00 0.00 12 D 8.53 4.72 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.79 3.85 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 14 I 8.16 4.42 1.84 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.90 0.00 0.00 15 L 8.47 4.50 0.00 1.71 1.64 0.99 1.13 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 H 9.04 4.40 0.00 3.45 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.18 0.00 2.10 1.79 0.00 3.70 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 18 K 8.10 3.94 0.00 1.55 1.67 0.00 1.13 0.00 0.00 0.90 0.00 0.00 2.48 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.44 0.29 7.81 19 F 8.20 4.56 0.00 3.26 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 20 I 7.51 4.60 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.87 0.00 0.00 21 V 8.37 4.22 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 0.69 0.00 0.00 1.03 0.00 0.00 22 G 7.77 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 0.00 0.00 0.00 0.00 23 F 8.52 5.47 0.00 2.88 3.10 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 24 T 8.91 4.63 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 1.22 0.00 0.00 25 R 8.58 4.94 0.00 1.85 2.09 0.00 3.18 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 26 Q 9.29 4.53 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 27 L 8.23 5.15 0.00 1.60 1.61 0.91 0.77 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 28 A 9.83 4.81 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.66 0.00 2.82 2.94 0.00 0.00 5.88 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 30 E 8.02 4.49 0.00 2.02 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 0.00 2.20 2.17 0.00 31 G 7.80 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 32 C 8.13 4.55 0.00 3.00 3.03 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 33 D 8.57 4.26 0.00 2.65 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 34 I 7.27 4.80 1.90 0.00 0.00 0.47 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 0.67 0.86 0.00 0.00 35 N 8.84 4.97 0.00 2.69 2.81 0.00 0.00 6.69 7.35 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 36 A 9.04 4.90 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 37 I 8.43 4.56 1.38 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 1.04 0.57 -0.04 0.00 0.00 38 I 8.61 4.75 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 0.95 0.00 0.00 39 F 9.19 5.24 0.00 3.06 2.89 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 40 H 9.29 5.40 0.00 3.16 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.21 5.42 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 1.36 0.00 0.00 42 K 8.82 4.10 0.00 1.92 2.03 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.47 7.81 43 K 7.88 4.27 0.00 1.92 1.85 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.39 7.81 44 K 7.88 3.70 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 45 L 7.72 4.54 0.00 1.80 1.61 0.92 0.79 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 46 S 8.48 5.21 0.00 3.84 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 47 V 8.76 4.65 2.22 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 0.81 0.00 0.00 1.18 0.00 0.00 48 C 8.87 5.29 0.00 3.03 3.22 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 49 A 9.22 5.15 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 50 N 8.17 3.57 0.00 1.90 2.39 0.00 0.00 7.00 7.71 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 51 P 0.00 4.34 0.00 2.02 2.00 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 52 K 8.10 4.15 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.55 7.81 53 Q 7.67 4.13 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 54 T 8.65 3.89 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 1.21 0.00 0.00 55 W 8.35 4.49 0.00 3.34 3.13 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 56 V 7.91 3.67 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 0.96 0.00 0.00 1.17 0.00 0.00 57 K 8.00 3.90 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.65 7.81 58 Y 8.18 4.11 0.00 3.00 2.96 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 0.00 0.00 0.00 59 I 7.43 3.10 1.45 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.36 0.32 0.00 0.00 60 V 7.61 3.29 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 0.41 0.00 0.00 0.42 0.00 0.00 61 R 8.12 3.91 0.00 1.99 1.92 0.00 3.34 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 62 L 7.97 3.82 0.00 1.49 1.45 0.16 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.91 3.94 0.00 1.94 1.83 1.18 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.98 4.15 0.00 3.99 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 65 K 8.41 3.97 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.70 7.81 66 K 7.97 3.90 0.00 1.94 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 67 V 7.55 3.78 2.23 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 0.79 0.00 0.00 1.03 0.00 0.00 68 K 8.09 4.02 0.00 1.87 1.74 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.36 7.81 69 N 7.51 4.43 0.00 2.84 2.83 0.00 0.00 6.97 7.81 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