NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4508 8.1927 115.2961 58.5158 64.6842 175.6823 5 R 3.8407 7.8982 119.5924 57.6438 30.1747 173.4646 6 V 3.8817 8.6053 119.8374 64.9709 31.7263 177.9995 7 T 3.8241 7.8829 115.9104 66.4255 68.3829 175.8581 8 F 4.0549 8.4022 123.0042 61.6651 39.2808 177.0818 9 E 3.6312 8.3032 117.6402 59.4543 29.1889 179.7226 10 R 3.8491 7.7911 117.6544 59.1904 30.1408 179.2067 11 V 3.4897 7.9328 118.3899 65.9751 31.5226 177.7373 12 E 3.7752 8.0754 119.3626 59.0522 29.3809 178.6918 13 Q 3.9500 8.0266 118.2217 59.2875 28.7880 178.7406 14 M 4.0707 8.2838 120.1564 58.3448 31.9345 179.0114 15 S 4.1659 7.9530 114.5033 61.2870 63.1623 176.4054 16 I 3.6374 7.5337 122.9872 64.5155 36.9323 178.4010 17 Q 4.0010 8.0604 118.5441 58.9600 28.4075 178.8604 18 I 3.7119 8.2644 121.3344 64.1953 37.0322 178.3944 19 K 3.9340 7.9799 120.4625 59.5976 32.1375 178.7281 20 E 3.9568 8.3476 118.9423 59.3815 29.3010 179.6254 21 V 3.7069 7.9878 118.5248 65.6974 31.6124 178.2366 22 G 3.6557 8.3257 105.7521 48.0664 0.0000 175.2396 23 D 4.4673 8.3323 122.0669 57.0977 40.8644 179.2452 24 R 4.0339 8.0112 118.2936 59.3312 30.0944 179.1124 25 V 3.6336 8.2733 118.4283 66.3395 31.3481 177.8820 26 N 4.3869 8.2870 116.0637 56.3268 38.3575 176.9687 27 Y 3.9003 8.1672 118.3090 61.0633 37.9296 178.9274 28 I 3.7728 7.9130 120.7270 64.1189 37.2477 178.1908 29 K 3.8822 8.1328 120.4875 59.7293 31.9954 178.9229 30 R 3.8768 8.2675 118.4668 59.3437 29.8848 178.9569 31 S 4.1471 8.2046 114.9293 61.9303 62.8811 177.0013 32 L 3.9924 8.0454 121.2703 57.7959 40.8752 179.4272 33 Q 4.0034 8.0531 118.0871 59.1952 28.7883 179.1279 34 S 4.1179 8.1037 114.0225 61.0756 62.3549 175.8250 35 L 3.9484 8.2467 123.5210 58.1804 41.8142 178.3170 36 D 4.2857 8.5624 118.4044 57.4738 41.0833 178.3977 37 S 3.9829 7.7589 112.9631 61.3179 62.4253 175.8322 38 Q 3.9725 7.9055 121.8506 59.2179 28.7457 178.3482 39 I 3.7952 8.1295 121.2616 64.3144 37.2677 178.4708 40 G 3.6727 8.0207 106.5400 48.3612 0.0000 175.4073 41 H 4.4236 7.9844 117.9439 58.2561 28.6726 177.6470 42 L 3.9738 8.1326 122.4595 58.1095 41.9159 178.6517 43 Q 3.9429 8.7122 119.8926 59.3510 28.9452 178.0498 44 D 4.3155 7.9796 118.6850 57.1835 41.3158 177.9293 45 L 4.0004 8.0715 121.2135 58.0748 42.0792 179.1375 46 S 4.1263 8.3717 114.2420 61.3906 62.9818 176.3102 47 A 4.0169 8.0859 124.7709 54.6900 18.2229 179.5993 48 L 3.9910 8.0616 118.4102 59.0908 40.6381 179.5453 49 T 3.8384 7.9751 116.6216 66.5158 68.3906 176.6454 50 V 3.6054 7.8863 119.9557 66.0828 31.2856 177.7476 51 D 4.3479 7.9225 117.6925 57.7720 40.9551 178.6551 52 T 4.0484 7.8596 115.8433 66.5503 68.4306 176.8798 53 L 4.0425 8.0060 120.9831 57.6970 41.3703 179.6915 54 K 4.0903 8.1563 118.0444 59.0293 32.0158 178.4082 55 T 4.2962 7.5702 107.7649 62.0389 69.1697 174.7518 56 L 4.3081 7.6035 127.3573 55.1026 42.0151 176.0521 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 4 S 8.19 4.45 0.00 3.89 3.94 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 5 R 7.90 3.84 0.00 1.99 1.95 0.00 3.44 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 6 V 8.61 3.88 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 0.82 0.00 0.00 0.94 0.00 0.00 7 T 7.88 3.82 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 1.23 0.00 0.00 8 F 8.40 4.05 0.00 3.15 3.35 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 0.00 9 E 8.30 3.63 0.00 2.22 1.95 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 2.44 2.73 0.00 10 R 7.79 3.85 0.00 1.86 1.93 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 11 V 7.93 3.49 1.98 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 0.95 0.00 0.00 0.97 0.00 0.00 12 E 8.08 3.78 0.00 1.36 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 2.17 2.22 0.00 13 Q 8.03 3.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 14 M 8.28 4.07 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 15 S 7.95 4.17 0.00 4.04 4.19 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 0.00 0.00 0.00 0.00 16 I 7.53 3.64 2.01 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 1.50 0.78 0.90 0.00 0.00 17 Q 8.06 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 18 I 8.26 3.71 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.91 0.00 0.00 19 K 7.98 3.93 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 20 E 8.35 3.96 0.00 2.05 1.98 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 2.33 2.53 0.00 21 V 7.99 3.71 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 22 G 8.33 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.33 4.47 0.00 2.80 2.90 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 24 R 8.01 4.03 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 V 8.27 3.63 2.25 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 1.04 0.00 0.00 1.00 0.00 0.00 26 N 8.29 4.39 0.00 2.76 2.75 0.00 0.00 7.01 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.17 3.90 0.00 3.24 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 28 I 7.91 3.77 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.93 0.00 0.00 29 K 8.13 3.88 0.00 1.93 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.48 7.81 30 R 8.27 3.88 0.00 1.94 1.91 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 31 S 8.20 4.15 0.00 4.03 3.96 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 32 L 8.05 3.99 0.00 1.83 1.71 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.05 4.00 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 34 S 8.10 4.12 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.25 3.95 0.00 1.86 1.85 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.56 4.29 0.00 2.69 2.90 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 37 S 7.76 3.98 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.97 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 39 I 8.13 3.80 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.90 0.00 0.00 40 G 8.02 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.98 4.42 0.00 3.34 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.13 3.97 0.00 1.77 1.84 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.71 3.94 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 44 D 7.98 4.32 0.00 2.89 2.80 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 0.00 0.00 0.00 45 L 8.07 4.00 0.00 1.91 1.84 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.37 4.13 0.00 4.09 4.11 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 47 A 8.09 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.06 3.99 0.00 1.95 2.09 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.98 3.84 4.37 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 1.21 0.00 0.00 50 V 7.89 3.61 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 1.11 0.00 0.00 0.95 0.00 0.00 51 D 7.92 4.35 0.00 2.90 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 52 T 7.86 4.05 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 1.21 0.00 0.00 53 L 8.01 4.04 0.00 1.86 1.72 0.92 0.77 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 54 K 8.16 4.09 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 55 T 7.57 4.30 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 1.25 0.00 0.00 56 L 7.60 4.31 0.00 1.83 1.58 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00