NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3322 8.1127 119.7051 56.0938 32.6669 177.2786 8 K 3.7205 7.9754 118.7375 59.1117 32.0906 177.1246 9 Q 4.1250 8.8152 119.0925 58.6610 29.2355 177.4217 10 D 4.5125 7.9472 119.5275 57.0648 40.9743 178.8629 11 T 4.2866 8.5655 116.9259 67.0131 68.5844 177.0352 12 Q 4.1194 8.1853 119.9851 58.8074 28.7488 178.5863 13 R 4.0673 8.2200 119.4258 58.5670 29.9811 178.4598 14 A 3.9337 8.0218 121.2725 55.0368 18.7009 179.6137 15 L 3.4800 8.1918 118.4788 58.8707 40.3979 179.2967 16 H 4.2236 8.0672 117.4084 58.7820 28.7307 177.6251 17 L 3.5540 7.6548 120.6906 57.5168 41.3375 179.6010 18 L 3.9165 7.8214 119.1616 57.6529 41.6176 179.3514 19 E 3.9028 7.8341 118.4777 59.6039 29.5524 179.3932 20 E 4.4634 7.8133 119.4841 58.7506 29.4026 179.1790 21 Y 4.3999 7.7488 117.3593 61.1120 38.1149 178.1325 22 R 3.9888 8.6491 117.7022 59.3928 29.3887 178.8991 23 S 4.1640 8.0810 114.6183 60.6270 62.7001 175.8294 24 K 4.3872 7.5992 119.0705 56.4574 33.0309 175.8636 25 L 4.4570 7.6886 119.8722 57.2072 44.0196 178.3338 26 S 4.2566 8.1362 112.3250 60.0924 63.1781 174.7810 27 Q 4.4954 7.3348 120.1292 54.7092 27.1170 174.2556 28 T 4.1252 7.1915 121.7260 61.5978 72.1497 174.2200 29 E 4.9075 7.3907 115.5361 56.1059 30.7776 175.3402 30 D 4.9075 7.6268 117.3932 53.7355 42.4879 178.0311 31 R 4.0305 8.2884 121.3903 58.9484 30.4034 178.2138 32 Q 3.9841 8.0766 117.0507 59.1221 28.6888 178.6296 33 L 4.0364 7.9606 121.8957 57.3554 41.9202 178.8739 34 R 3.8382 7.9419 118.6684 59.5441 30.0829 178.2658 35 S 4.1431 7.8851 112.6874 61.5600 62.1368 176.5130 36 S 4.0474 7.8334 117.1413 61.7295 62.7621 176.3344 37 I 3.7493 7.9523 122.6991 64.5615 36.8473 178.2582 38 E 3.9389 8.7731 119.5488 59.3371 29.2391 179.4657 39 R 3.8406 7.7687 118.0062 59.5442 30.2298 179.2852 40 V 3.6767 7.5288 117.1323 65.8367 31.3606 178.2644 41 I 3.5539 7.5488 119.9322 64.1642 37.0178 178.4955 42 S 4.0797 8.4872 115.3783 61.7394 62.6899 176.5228 43 I 3.7102 7.9087 122.9553 63.6367 36.7830 178.3677 44 F 3.6812 7.9491 117.8697 60.5107 38.9444 177.3357 45 Q 4.3797 8.7698 116.5174 58.6260 28.9039 177.0859 46 S 3.8987 8.2092 115.6459 57.1403 62.1768 174.0222 47 N 4.2858 9.1901 127.5178 56.8360 38.3502 176.3315 48 L 3.9228 7.8645 121.1957 58.0943 42.4524 178.1432 49 F 4.1002 8.1723 120.6062 61.6978 39.1837 177.1518 50 Q 3.8587 8.1608 116.7017 58.6853 28.4977 178.3124 51 A 3.9033 7.7149 121.3408 55.1872 18.3611 179.5547 52 L 3.7957 7.8078 117.3445 58.1203 41.4669 179.7561 53 I 3.4641 7.0051 118.1246 64.5799 37.3650 177.9138 54 D 4.4893 7.9087 119.5578 57.1400 40.6636 178.8460 55 I 3.7165 7.9875 121.0773 64.3970 36.6798 178.2798 56 Q 4.2198 8.3806 118.6717 59.3393 27.7729 178.5672 57 E 3.9627 7.5665 119.4939 59.3640 29.5269 178.6368 58 F 4.6847 8.3361 115.1966 57.6002 41.1677 174.6470 59 Y 4.5721 7.5142 116.3064 55.8416 37.9165 174.9173 60 E 3.9611 8.0598 118.3090 56.5371 28.7054 177.1307 61 V 3.7217 8.0415 116.7024 61.1995 30.9800 176.5971 62 T 4.2006 8.2782 122.9873 62.3450 68.4510 174.5408 63 L 4.4195 8.3953 129.3946 53.9195 43.0571 175.9393 64 L 4.5607 8.4036 124.7599 56.4777 42.3281 176.5993 65 D 4.5846 8.0481 116.2115 54.2325 41.5525 175.4151 66 N 4.5197 8.0131 120.4848 53.9621 37.2068 174.6651 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 7 R 8.11 4.33 0.00 1.85 2.00 0.00 3.06 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 8 K 7.98 3.72 0.00 1.92 1.80 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.64 7.81 9 Q 8.82 4.12 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 10 D 7.95 4.51 0.00 2.92 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 11 T 8.57 4.29 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 Q 8.19 4.12 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 13 R 8.22 4.07 0.00 2.05 2.00 0.00 3.11 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 14 A 8.02 3.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.48 0.00 1.50 1.71 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.07 4.22 0.00 3.28 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.65 3.55 0.00 1.78 1.12 1.00 0.28 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 18 L 7.82 3.92 0.00 1.69 1.58 0.65 1.28 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 19 E 7.83 3.90 0.00 2.17 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 2.28 2.49 0.00 20 E 7.81 4.46 0.00 1.97 1.97 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 2.26 2.29 0.00 21 Y 7.75 4.40 0.00 3.13 2.87 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 22 R 8.65 3.99 0.00 1.98 2.21 0.00 2.76 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 23 S 8.08 4.16 0.00 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.39 0.00 1.98 1.96 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.81 1.47 7.81 25 L 7.69 4.46 0.00 1.91 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.14 4.26 0.00 4.13 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 27 Q 7.33 4.50 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 28 T 7.19 4.13 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 1.26 0.00 0.00 29 E 7.39 4.91 0.00 2.07 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 2.11 2.17 0.00 30 D 7.63 4.91 0.00 2.65 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 31 R 8.29 4.03 0.00 1.81 1.98 0.00 3.64 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 32 Q 8.08 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 33 L 7.96 4.04 0.00 1.91 1.86 0.91 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 34 R 7.94 3.84 0.00 2.02 1.93 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 35 S 7.89 4.14 0.00 3.98 3.88 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 36 S 7.83 4.05 0.00 3.99 3.88 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 37 I 7.95 3.75 1.99 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 1.53 0.84 0.90 0.00 0.00 38 E 8.77 3.94 0.00 2.17 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 2.31 2.49 0.00 39 R 7.77 3.84 0.00 2.13 1.96 0.00 3.12 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 40 V 7.53 3.68 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 0.32 0.00 0.00 0.93 0.00 0.00 41 I 7.55 3.55 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.63 0.87 0.00 0.00 42 S 8.49 4.08 0.00 3.98 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 43 I 7.91 3.71 1.85 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 1.47 0.72 0.54 0.00 0.00 44 F 7.95 3.68 0.00 3.09 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 45 Q 8.77 4.38 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 46 S 8.21 3.90 0.00 4.12 3.83 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 0.00 0.00 0.00 47 N 9.19 4.29 0.00 2.89 2.85 0.00 0.00 6.80 6.67 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 48 L 7.86 3.92 0.00 1.82 1.68 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.17 4.10 0.00 3.18 3.29 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 50 Q 8.16 3.86 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 51 A 7.71 3.90 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 52 L 7.81 3.80 0.00 1.62 1.51 0.90 0.61 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 53 I 7.01 3.46 1.83 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.10 0.78 0.00 0.00 54 D 7.91 4.49 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.72 1.91 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.57 0.00 0.00 56 Q 8.38 4.22 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 57 E 7.57 3.96 0.00 2.29 2.31 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 2.38 2.69 0.00 58 F 8.34 4.68 0.00 2.93 2.82 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 59 Y 7.51 4.57 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 60 E 8.06 3.96 0.00 1.95 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 0.00 2.27 2.31 0.00 61 V 8.04 3.72 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 0.68 0.00 0.00 0.97 0.00 0.00 62 T 8.28 4.20 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 1.22 0.00 0.00 63 L 8.40 4.42 0.00 1.61 1.71 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.40 4.56 0.00 1.76 1.74 0.93 0.81 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 65 D 8.05 4.58 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 66 N 8.01 4.52 0.00 2.88 2.80 0.00 0.00 5.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00