NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8555 8.3549 109.7368 42.2190 0.0000 174.0534 4 I 3.0327 8.0671 120.7091 59.9370 34.4477 171.7171 5 R 4.6720 8.5248 119.0041 55.5591 34.4213 173.0115 6 E 4.8144 8.1485 118.9429 54.3991 32.4179 176.2670 7 K 4.6879 8.5842 122.4708 56.5582 33.5261 176.2285 8 I 4.7445 8.3362 120.8354 60.1312 41.8526 174.4737 9 K 5.1149 8.5993 123.0380 53.6478 36.0858 175.5921 10 L 5.0214 8.6577 121.7700 53.2183 44.6402 176.2089 11 V 4.5765 8.6170 117.3588 60.6938 33.7770 176.0838 12 S 3.8663 8.8072 120.3762 58.0458 63.6453 175.7141 13 S 4.0380 7.4037 116.6869 61.3431 62.9330 175.8387 14 A 3.9471 7.6613 122.8754 52.8690 18.2990 177.7596 15 G 3.7673 7.6592 101.9903 46.5059 0.0000 173.1230 16 T 4.3768 7.5987 113.9523 59.7244 69.4475 174.6008 17 G 3.5553 8.2149 109.8796 46.0110 0.0000 173.4587 18 H 3.8398 7.1296 120.9684 55.8914 30.2613 174.3935 19 F 5.1888 7.4804 123.8432 54.7763 42.8033 174.3059 20 Y 4.0305 8.7366 120.2501 57.3753 38.5751 174.2783 21 T 4.8272 8.2722 121.5918 62.8553 70.3222 174.3299 22 T 4.5649 8.2753 119.8374 61.9959 71.8066 170.9510 23 T 5.1936 8.3385 112.6883 59.4951 71.8755 173.0008 24 K 4.5454 7.8617 123.1173 56.1770 36.3943 173.8408 25 N 4.6116 8.3446 126.0262 53.6287 39.6498 174.8075 26 K 4.5941 8.4727 123.1514 56.0966 34.0158 177.5388 27 R 4.2254 7.9773 116.8673 58.5078 30.5009 178.1346 28 T 3.9208 8.1751 107.3571 63.8784 68.7315 175.1900 29 K 4.4425 7.7954 129.6350 52.7461 33.3636 175.2925 30 P 4.4483 0.0000 0.0000 64.2651 31.7251 177.2750 31 E 4.1065 7.8446 118.8525 56.3214 29.9508 176.6352 32 K 4.4500 8.2864 121.3649 56.4629 33.4103 175.9801 33 L 4.6405 8.1812 122.1878 53.7944 45.3189 174.4471 34 E 4.8392 8.8799 126.0519 54.6110 31.6237 174.5928 35 L 5.0942 9.0835 126.6336 52.7091 46.5995 175.5351 36 K 5.2034 8.5847 119.8094 55.3407 34.5798 175.6244 37 K 4.6994 8.9434 122.3489 54.2962 37.1071 175.2992 38 F 4.3044 8.8164 125.8938 58.9927 40.0587 173.6352 39 D 4.7799 8.7124 126.9145 52.2461 41.9273 175.1734 40 P 3.9417 0.0000 0.0000 64.0152 31.9011 177.3270 41 V 3.7711 7.6090 118.5947 64.8913 31.8057 176.7572 42 V 3.9517 6.9342 110.7711 60.7106 32.0990 176.2489 43 R 3.3585 7.7973 117.6809 56.6902 27.7657 175.5296 44 Q 4.7488 6.9022 116.4932 54.3739 33.1696 173.3857 45 H 4.8432 9.1145 121.8970 56.2616 29.6422 174.9970 46 V 4.6523 8.7436 122.2719 60.4901 34.6581 173.3572 47 I 4.6147 8.1671 113.2997 60.2441 39.7498 174.4230 48 Y 4.6769 9.0826 122.1119 56.2835 41.5226 175.2296 49 K 5.0369 8.4398 124.2586 55.8240 35.5485 175.6326 50 E 3.4715 8.7385 115.7110 57.5596 29.9499 173.2041 51 A 4.7804 8.1215 117.9704 51.4820 22.5240 176.2798 52 K 4.0983 8.3418 119.1869 56.8900 32.3096 175.8202 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 G 8.35 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 4 I 8.07 3.03 1.87 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 1.30 0.57 0.91 0.00 0.00 5 R 8.52 4.67 0.00 1.78 1.75 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 6 E 8.15 4.81 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 7 K 8.58 4.69 0.00 1.64 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 8 I 8.34 4.74 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.96 0.00 0.00 9 K 8.60 5.11 0.00 1.46 1.63 0.00 1.58 0.00 0.00 2.29 0.00 0.00 2.55 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.33 1.24 7.81 10 L 8.66 5.02 0.00 1.93 1.95 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.62 4.58 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 0.98 0.00 0.00 1.00 0.00 0.00 12 S 8.81 3.87 0.00 3.94 3.63 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 13 S 7.40 4.04 0.00 3.84 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 14 A 7.66 3.95 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 15 G 7.66 3.77 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 0.00 0.00 0.00 16 T 7.60 4.38 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 17 G 8.21 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.13 3.84 0.00 2.87 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.48 5.19 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 20 Y 8.74 4.03 0.00 2.99 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 21 T 8.27 4.83 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 22 T 8.28 4.56 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 1.27 0.00 0.00 23 T 8.34 5.19 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 1.22 0.00 0.00 24 K 7.86 4.55 0.00 1.92 1.71 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.16 7.81 25 N 8.34 4.61 0.00 2.77 2.67 0.00 0.00 6.68 6.26 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 26 K 8.47 4.59 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.48 7.81 27 R 7.98 4.23 0.00 1.88 1.97 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 28 T 8.18 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 29 K 7.80 4.44 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.34 7.81 30 P 0.00 4.45 0.00 2.18 2.18 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 31 E 7.84 4.11 0.00 1.99 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 2.32 2.28 0.00 32 K 8.29 4.45 0.00 1.65 1.76 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.39 7.81 33 L 8.18 4.64 0.00 1.60 1.50 0.93 0.83 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 34 E 8.88 4.84 0.00 1.97 1.82 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 2.18 2.37 0.00 35 L 9.08 5.09 0.00 1.56 1.44 0.87 0.52 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 36 K 8.58 5.20 0.00 1.94 1.84 0.00 1.47 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.52 7.81 37 K 8.94 4.70 0.00 1.20 1.33 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.42 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 0.26 7.81 38 F 8.82 4.30 0.00 2.71 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 39 D 8.71 4.78 0.00 3.02 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.94 0.00 2.24 2.33 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 41 V 7.61 3.77 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 0.77 0.00 0.00 0.86 0.00 0.00 42 V 6.93 3.95 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 0.72 0.00 0.00 0.90 0.00 0.00 43 R 7.80 3.36 0.00 1.97 2.18 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 44 Q 6.90 4.75 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 45 H 9.11 4.84 0.00 3.20 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.74 4.65 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 0.66 0.00 0.00 0.88 0.00 0.00 47 I 8.17 4.61 1.97 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 1.30 0.73 0.92 0.00 0.00 48 Y 9.08 4.68 0.00 3.14 3.05 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 49 K 8.44 5.04 0.00 1.78 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.39 7.81 50 E 8.74 3.47 0.00 2.21 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 0.00 2.25 2.34 0.00 51 A 8.12 4.78 1.23 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 0.00 0.00 0.00 52 K 8.34 4.10 0.00 1.62 1.76 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.42 7.81