#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw s GLN 2 N 0.00 3.73 0.00 0.03 1.11 -1.26 -4.95 119.66 118.32 1krw s GLN 2 Ca 0.00 0.40 0.16 0.00 0.01 0.00 0.00 55.36 55.93 1krw s GLN 2 Cb 0.00 -2.40 0.87 0.00 -1.01 0.00 0.00 33.01 30.47 1krw s GLN 2 CO 0.00 -0.05 1.42 2.89 0.01 0.00 0.00 175.29 179.56 1krw n ARG 3 N -1.44 0.35 -1.13 2.91 1.85 -1.26 -4.89 116.66 113.05 1krw n ARG 3 Ca 0.02 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1krw n ARG 3 Cb 0.54 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 1krw n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1krw n GLY 4 N 0.03 -1.42 3.48 2.89 0.00 -1.26 -4.63 105.19 104.29 1krw n GLY 4 Ca 0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1krw n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krw s ILE 5 N -0.32 5.12 -0.25 -0.61 1.09 -1.26 -1.43 121.20 123.53 1krw s ILE 5 Ca 0.00 -0.45 -0.08 0.00 -1.10 0.00 0.00 60.65 59.02 1krw s ILE 5 Cb 0.00 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 1krw s ILE 5 CO 0.00 -0.12 0.08 0.54 -0.10 0.00 0.00 174.94 175.34 1krw s VAL 6 N 1.68 4.43 -0.06 2.92 0.11 0.28 0.51 120.40 130.26 1krw s VAL 6 Ca 0.05 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1krw s VAL 6 Cb -0.18 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 1krw s VAL 6 CO 0.09 0.33 -0.10 0.26 -3.33 0.00 0.00 175.10 172.35 1krw s TRP 7 N 1.61 2.83 0.08 1.54 0.52 -0.96 -2.31 118.94 122.24 1krw s TRP 7 Ca 0.06 -0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.18 1krw s TRP 7 Cb -0.15 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1krw s TRP 7 CO 0.04 0.26 -0.18 0.08 0.02 0.00 0.00 176.95 177.17 1krw s VAL 8 N -0.75 1.49 -0.18 4.03 1.01 0.11 -0.98 120.40 125.14 1krw s VAL 8 Ca 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1krw s VAL 8 Cb -0.11 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1krw s VAL 8 CO 0.01 -0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.29 1krw s VAL 9 N -1.11 1.34 0.00 2.92 1.01 0.33 -1.36 120.40 123.54 1krw s VAL 9 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1krw s VAL 9 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1krw s VAL 9 CO 0.03 0.13 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1krw n ASP 10 N 4.79 0.00 0.00 3.32 -0.08 -1.09 -1.50 116.55 121.99 1krw n ASP 10 Ca -0.13 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.20 1krw n ASP 10 Cb 0.47 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.20 1krw n ASP 10 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1krw n ASP 11 N 0.00 0.00 0.00 1.67 9.92 -1.26 -3.54 116.55 123.34 1krw n ASP 11 Ca 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1krw n ASP 11 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1krw n ASP 12 N -1.17 0.00 0.00 -2.24 -0.08 -1.23 -4.47 116.55 107.36 1krw n ASP 12 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1krw n ASP 12 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1krw n SER 13 N 2.79 0.00 -0.17 1.67 2.88 -1.26 0.25 113.62 119.78 1krw n SER 13 Ca 0.00 0.58 0.21 0.00 -1.33 0.00 0.00 58.87 58.33 1krw n SER 13 Cb 0.00 -0.08 0.60 0.00 -0.75 0.00 0.00 64.21 63.98 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1krw h SER 14 N 0.00 0.22 0.99 -3.46 0.87 -2.00 0.10 113.55 110.27 1krw h SER 14 Ca 0.00 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 1krw h SER 14 Cb 0.00 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1krw h SER 14 CO 0.00 0.10 -0.76 0.40 -0.53 0.00 0.00 176.83 176.03 1krw h ILE 15 N 0.22 1.42 -0.57 2.23 1.08 -1.57 -3.04 117.51 117.28 1krw h ILE 15 Ca 0.40 -2.73 0.03 0.00 -0.39 0.00 0.00 64.86 62.18 1krw h ILE 15 Cb 1.23 2.52 -0.04 0.00 -3.07 0.00 0.00 36.82 37.47 1krw h ILE 15 CO -0.09 0.75 0.34 -0.09 -0.69 0.00 0.00 178.15 178.37 1krw h ARG 16 N 0.00 0.65 0.32 2.37 2.43 0.59 -1.49 114.38 119.24 1krw h ARG 16 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1krw h ARG 16 Cb 1.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1krw h ARG 16 CO 0.10 0.43 -0.15 2.35 -1.51 0.00 0.00 179.97 181.18 1krw h TRP 17 N 0.67 -0.40 0.85 2.20 7.01 -1.58 -3.00 115.95 121.71 1krw h TRP 17 Ca 0.24 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 1krw h TRP 17 Cb 0.05 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1krw h TRP 17 CO -0.06 -0.25 -0.45 0.28 -2.79 0.00 0.00 178.44 175.17 1krw h VAL 18 N -0.89 0.00 0.07 2.65 2.07 -1.57 -2.57 116.25 116.01 1krw h VAL 18 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1krw h VAL 18 Cb 0.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1krw h VAL 18 CO 0.07 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.56 1krw h LEU 19 N -1.20 -0.08 0.53 2.57 3.38 -1.49 -2.91 115.31 116.12 1krw h LEU 19 Ca -0.12 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1krw h LEU 19 Cb 0.93 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1krw h LEU 19 CO 0.17 0.44 -0.25 -0.33 0.09 0.00 0.00 178.44 178.55 1krw h GLU 20 N -0.63 -0.68 -0.78 1.13 5.08 -1.47 0.34 114.58 117.57 1krw h GLU 20 Ca -0.01 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.56 1krw h GLU 20 Cb 0.53 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.83 1krw h GLU 20 CO 0.02 -0.45 0.28 0.00 -1.00 0.00 0.00 179.01 177.85 1krw h ARG 21 N -1.03 0.37 -0.28 2.33 2.47 -1.32 1.50 114.38 118.42 1krw h ARG 21 Ca -0.07 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.48 1krw h ARG 21 Cb 0.54 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1krw h ARG 21 CO 0.12 0.24 -0.42 0.00 0.56 0.00 0.00 179.97 180.48 1krw h ALA 22 N 1.60 0.73 0.00 0.04 0.00 -1.56 -2.71 119.26 117.36 1krw h ALA 22 Ca 0.45 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1krw h ALA 22 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1krw h ALA 22 CO -0.47 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 178.84 1krw h LEU 23 N 0.57 0.00 -1.14 0.00 3.38 0.11 -2.91 115.31 115.32 1krw h LEU 23 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 23 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1krw h LEU 23 CO 0.09 0.54 0.07 0.00 0.09 0.00 0.00 178.44 179.23 1krw h ALA 24 N 1.46 1.31 0.00 1.53 0.00 0.22 -0.32 119.26 123.46 1krw h ALA 24 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1krw h ALA 24 Cb 1.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1krw h ALA 24 CO 0.07 0.48 -0.12 0.78 0.00 0.00 0.00 179.25 180.46 1krw h GLY 25 N 0.89 0.00 2.00 0.00 0.00 -1.28 -0.33 103.07 104.35 1krw h GLY 25 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1krw h GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1krw h ALA 26 N 1.88 1.00 0.00 3.60 0.00 -1.08 -3.47 119.26 121.19 1krw h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 26 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1krw h ALA 26 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1krw n GLY 27 N 0.88 1.48 3.53 0.00 0.00 -0.13 -5.11 105.19 105.84 1krw n GLY 27 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1krw n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krw s LEU 28 N 0.00 2.56 -0.37 0.99 1.02 -1.17 -4.82 118.68 116.89 1krw s LEU 28 Ca 0.00 -1.33 -0.16 0.00 0.02 0.00 0.00 54.13 52.65 1krw s LEU 28 Cb 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.53 1krw s LEU 28 CO 0.00 -0.47 0.41 -0.89 0.02 0.00 0.00 176.35 175.42 1krw s THR 29 N -2.96 5.12 -0.24 5.49 2.01 -0.52 -4.22 115.64 120.32 1krw s THR 29 Ca 0.35 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 1krw s THR 29 Cb 0.08 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1krw s THR 29 CO 0.16 -0.22 -0.02 0.00 -0.69 0.00 0.00 174.62 173.85 1krw s THR 31 N 1.44 1.68 0.29 0.00 -1.32 -0.98 -4.79 115.64 111.97 1krw s THR 31 Ca 0.03 -0.91 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1krw s THR 31 Cb -0.16 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 1krw s THR 31 CO -0.02 0.48 0.04 0.42 -2.21 0.00 0.00 174.62 173.32 1krw s THR 32 N -0.49 3.36 0.35 5.08 -4.23 -1.26 0.09 115.64 118.54 1krw s THR 32 Ca 0.08 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1krw s THR 32 Cb -0.08 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1krw s THR 32 CO -0.01 -0.32 0.11 -0.36 -0.54 0.00 0.00 174.62 173.50 1krw s PHE 33 N -2.35 1.76 0.24 3.99 0.40 -0.46 -4.93 117.98 116.63 1krw s PHE 33 Ca 0.33 -1.20 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 1krw s PHE 33 Cb -0.05 -1.10 0.24 0.00 0.51 0.00 0.00 43.02 42.63 1krw s PHE 33 CO 0.21 -0.27 1.80 1.05 0.70 0.00 0.00 175.22 178.71 1krw h GLU 34 N 2.04 1.09 0.00 0.44 -0.00 -1.91 -2.89 114.58 113.35 1krw h GLU 34 Ca -0.37 -0.20 0.00 0.00 -0.00 0.00 0.00 59.36 58.80 1krw h GLU 34 Cb 1.26 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 1krw h GLU 34 CO 0.60 0.89 0.00 -1.71 -0.00 0.00 0.00 179.01 178.79 1krw n ASN 35 N -4.28 -2.70 0.00 3.06 2.85 -1.23 -4.37 115.26 108.59 1krw n ASN 35 Ca 0.06 0.66 0.00 0.00 -0.11 0.00 0.00 54.58 55.19 1krw n ASN 35 Cb 0.19 2.66 0.00 0.00 1.24 0.00 0.00 39.78 43.87 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1krw n GLY 36 N -1.40 -0.08 0.22 8.20 0.00 -1.26 -3.89 105.19 106.98 1krw n GLY 36 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1krw n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krw h ASN 37 N 0.00 0.05 -0.08 1.61 -0.00 -1.98 -3.05 115.58 112.13 1krw h ASN 37 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 56.30 56.33 1krw h ASN 37 Cb 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 38.26 1krw h ASN 37 CO 0.00 0.28 -0.20 -0.08 -0.00 0.00 0.00 177.43 177.43 1krw h GLU 38 N 0.05 -0.27 -1.02 6.67 4.22 -1.97 -1.61 114.58 120.65 1krw h GLU 38 Ca 0.01 0.02 0.25 0.00 0.08 0.00 0.00 59.36 59.72 1krw h GLU 38 Cb 0.43 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 1krw h GLU 38 CO 0.03 -0.18 0.62 0.28 -2.18 0.00 0.00 179.01 177.58 1krw h VAL 39 N -0.28 0.54 -0.70 0.32 2.07 -1.92 0.33 116.25 116.61 1krw h VAL 39 Ca 0.08 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1krw h VAL 39 Cb 0.39 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1krw h VAL 39 CO -0.24 0.10 0.37 -0.07 0.02 0.00 0.00 177.57 177.75 1krw h LEU 40 N 0.53 0.89 -0.04 2.57 3.38 -1.41 1.01 115.31 122.23 1krw h LEU 40 Ca 0.63 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 1krw h LEU 40 Cb 1.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1krw h LEU 40 CO -0.41 0.74 0.02 0.00 0.09 0.00 0.00 178.44 178.88 1krw h ALA 41 N 1.18 0.06 -0.05 1.53 0.00 -0.03 -2.79 119.26 119.17 1krw h ALA 41 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1krw h ALA 41 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1krw h ALA 41 CO -0.04 -0.36 -0.60 0.00 0.00 0.00 0.00 179.25 178.26 1krw h ALA 42 N 0.85 0.91 -0.00 0.00 0.00 -1.11 -2.90 119.26 117.00 1krw h ALA 42 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1krw h ALA 42 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1krw h ALA 42 CO -0.00 0.73 0.01 -0.07 0.00 0.00 0.00 179.25 179.92 1krw h LEU 43 N 0.12 0.00 -2.57 0.00 3.38 0.12 -1.44 115.31 114.92 1krw h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1krw h LEU 43 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1krw h LEU 43 CO 0.09 0.00 0.08 0.00 0.09 0.00 0.00 178.44 178.70 1krw h ALA 44 N 1.99 1.08 0.00 1.53 0.00 -1.28 -1.53 119.26 121.05 1krw h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 44 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1krw h ALA 44 CO -0.00 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.62 1krw n SER 45 N -2.93 1.00 -3.61 0.00 2.88 -0.56 -5.07 113.62 105.33 1krw n SER 45 Ca -0.03 -1.08 -0.07 0.00 -1.33 0.00 0.00 58.87 56.36 1krw n SER 45 Cb 0.14 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.58 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1krw s LYS 46 N -0.08 1.10 -0.09 -1.46 2.20 -0.57 -5.16 119.74 115.68 1krw s LYS 46 Ca 0.00 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1krw s LYS 46 Cb 0.00 0.44 0.04 0.00 -1.51 0.00 0.00 37.83 36.80 1krw s LYS 46 CO 0.00 -0.49 0.05 0.99 -0.36 0.00 0.00 175.35 175.54 1krw s THR 47 N -3.33 0.03 0.61 3.43 2.01 -1.26 -4.05 115.64 113.07 1krw s THR 47 Ca 0.08 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 1krw s THR 47 Cb -0.02 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1krw s THR 47 CO -0.04 0.05 1.05 -2.16 -0.69 0.00 0.00 174.62 172.83 1krw s PRO 48 N 2.10 3.26 0.23 4.92 0.04 -1.26 -4.97 135.00 139.32 1krw s PRO 48 Ca 0.04 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1krw s PRO 48 Cb -0.13 -2.03 0.20 0.00 0.04 0.00 0.00 34.50 32.57 1krw s PRO 48 CO -0.05 -0.85 1.52 -0.44 0.04 0.00 0.00 177.00 177.21 1krw h ASP 49 N 0.17 0.08 -2.03 6.66 3.32 -0.33 -3.43 116.42 120.86 1krw h ASP 49 Ca -0.46 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.31 1krw h ASP 49 Cb 1.21 -0.02 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 1krw h ASP 49 CO 0.57 0.77 -0.55 0.54 -1.72 0.00 0.00 179.24 178.85 1krw s VAL 50 N -3.43 -0.52 0.40 -1.35 0.11 -1.14 -4.64 120.40 109.83 1krw s VAL 50 Ca -0.02 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 1krw s VAL 50 Cb 0.12 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 34.05 1krw s VAL 50 CO 0.79 -0.24 0.74 -0.22 -3.33 0.00 0.00 175.10 172.85 1krw s LEU 51 N 2.47 3.84 -0.06 2.54 2.96 0.15 -2.28 118.68 128.29 1krw s LEU 51 Ca 0.10 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1krw s LEU 51 Cb -0.15 -3.94 0.03 0.00 0.50 0.00 0.00 46.19 42.64 1krw s LEU 51 CO -0.21 -0.39 0.02 -0.22 -1.32 0.00 0.00 176.35 174.23 1krw s LEU 52 N -3.91 0.44 -0.15 -0.68 0.20 -0.15 -1.21 118.68 113.21 1krw s LEU 52 Ca 0.50 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 55.25 1krw s LEU 52 Cb -0.10 -0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 45.30 1krw s LEU 52 CO 0.33 -0.22 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.64 1krw s SER 53 N 2.04 4.35 0.00 3.68 0.01 0.72 0.12 113.70 124.63 1krw s SER 53 Ca 0.05 -0.26 0.30 0.00 1.31 0.00 0.00 55.95 57.35 1krw s SER 53 Cb -0.12 -1.69 1.46 0.00 0.21 0.00 0.00 66.02 65.88 1krw s SER 53 CO -0.05 0.14 1.99 -0.67 0.41 0.00 0.00 173.24 175.07 1krw n ASP 54 N 3.72 0.37 -3.13 2.44 2.03 -0.56 -2.77 116.55 118.65 1krw n ASP 54 Ca -0.18 -0.74 -0.00 0.00 0.52 0.00 0.00 54.79 54.39 1krw n ASP 54 Cb 0.52 -0.08 -0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1krw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1krw n ILE 55 N -0.89 -2.91 -1.94 5.18 3.06 -1.26 -4.57 119.36 116.02 1krw n ILE 55 Ca 0.18 0.60 -0.25 0.00 -2.50 0.00 0.00 62.75 60.77 1krw n ILE 55 Cb 0.23 -3.34 0.03 0.00 0.54 0.00 0.00 39.64 37.10 1krw n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1krw n ARG 56 N 1.37 3.50 -3.68 9.51 0.63 -1.25 -4.85 116.66 121.89 1krw n ARG 56 Ca -0.00 -4.07 -0.24 0.00 -0.92 0.00 0.00 57.85 52.62 1krw n ARG 56 Cb 0.41 -2.28 0.06 0.00 0.45 0.00 0.00 32.46 31.09 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1krw n MET 57 N -0.73 -6.38 0.00 -0.14 0.00 0.12 -4.97 117.12 105.01 1krw n MET 57 Ca 0.46 0.72 0.00 0.00 0.00 0.00 0.00 57.70 58.89 1krw n MET 57 Cb 0.93 -5.62 0.00 0.00 0.00 0.00 0.00 33.22 28.53 1krw n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1krw n PRO 58 N -4.59 0.00 0.00 2.12 -0.04 -1.24 -4.61 135.00 126.63 1krw n PRO 58 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1krw n PRO 58 Cb 0.60 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1krw n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1krw n GLY 59 N 0.03 -0.21 2.48 0.55 0.00 -1.26 -4.73 105.19 102.05 1krw n GLY 59 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1krw n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1krw n MET 60 N -0.49 4.31 0.00 1.61 0.00 -1.26 -4.68 117.12 116.60 1krw n MET 60 Ca 0.00 -3.19 0.00 0.00 -0.00 0.00 0.00 57.70 54.51 1krw n MET 60 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 30.52 1krw n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krw n ASP 61 N 2.36 0.00 0.00 6.12 9.92 -1.26 -2.09 116.55 131.60 1krw n ASP 61 Ca 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1krw n ASP 61 Cb 0.25 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1krw n GLY 62 N -0.23 2.07 0.30 0.44 0.00 -1.26 0.11 105.19 106.62 1krw n GLY 62 Ca 0.00 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 45.99 1krw n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krw h LEU 63 N 0.00 0.00 -1.16 0.99 4.07 -1.76 -2.34 115.31 115.11 1krw h LEU 63 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 1krw h LEU 63 Cb 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1krw h LEU 63 CO 0.00 0.03 0.60 0.00 -1.08 0.00 0.00 178.44 177.99 1krw h ALA 64 N 1.97 1.73 -0.63 1.53 0.00 -1.91 -0.27 119.26 121.68 1krw h ALA 64 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1krw h ALA 64 Cb 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1krw h ALA 64 CO 0.00 -0.00 0.29 1.25 0.00 0.00 0.00 179.25 180.79 1krw h LEU 65 N 0.78 0.36 -0.82 0.00 7.12 -1.76 -1.09 115.31 119.90 1krw h LEU 65 Ca 0.49 0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.66 1krw h LEU 65 Cb 0.71 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.77 1krw h LEU 65 CO -0.26 0.22 0.46 -0.07 -0.13 0.00 0.00 178.44 178.66 1krw h LEU 66 N 0.52 0.63 -0.70 2.25 3.38 -1.21 0.05 115.31 120.23 1krw h LEU 66 Ca 0.30 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1krw h LEU 66 Cb 0.31 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1krw h LEU 66 CO -0.25 0.34 0.42 0.50 0.09 0.00 0.00 178.44 179.54 1krw h LYS 67 N 0.74 0.77 0.00 1.13 3.64 -1.09 -1.01 116.57 120.75 1krw h LYS 67 Ca 0.41 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1krw h LYS 67 Cb 0.43 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1krw h LYS 67 CO -0.27 0.51 -0.37 1.96 -2.27 0.00 0.00 179.45 179.01 1krw h GLN 68 N 0.79 0.00 -0.49 1.90 1.08 -0.80 -2.98 115.11 114.61 1krw h GLN 68 Ca 0.30 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.43 1krw h GLN 68 Cb 0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1krw h GLN 68 CO -0.14 0.37 0.05 0.82 -0.95 0.00 0.00 178.83 178.98 1krw h ILE 69 N 0.00 1.23 0.02 2.54 2.04 0.31 -2.81 117.51 120.85 1krw h ILE 69 Ca -0.00 -0.92 -0.21 0.00 1.00 0.00 0.00 64.86 64.73 1krw h ILE 69 Cb 0.76 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1krw h ILE 69 CO 0.05 0.33 -0.97 0.07 0.00 0.00 0.00 178.15 177.63 1krw h LYS 70 N 0.75 0.10 -0.42 2.37 5.09 -1.35 0.25 116.57 123.36 1krw h LYS 70 Ca 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 60.65 60.72 1krw h LYS 70 Cb 0.38 0.05 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 1krw h LYS 70 CO 0.01 0.99 0.15 1.96 -2.09 0.00 0.00 179.45 180.46 1krw h GLN 71 N 0.04 0.65 0.00 0.07 4.20 -1.37 -3.36 115.11 115.34 1krw h GLN 71 Ca -0.04 -0.13 -0.35 0.00 0.06 0.00 0.00 58.65 58.19 1krw h GLN 71 Cb 1.66 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.29 1krw h GLN 71 CO 0.14 0.62 -1.98 0.54 -0.67 0.00 0.00 178.83 177.48 1krw n ARG 72 N -4.59 0.57 -3.58 1.46 1.74 -1.08 -4.99 116.66 106.19 1krw n ARG 72 Ca 0.00 0.37 -0.26 0.00 -0.77 0.00 0.00 57.85 57.19 1krw n ARG 72 Cb 0.17 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1krw n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1krw s HIS 73 N -2.48 3.48 0.00 -1.55 0.09 0.08 -5.07 115.29 109.85 1krw s HIS 73 Ca -0.34 0.36 0.00 0.00 -0.00 0.00 0.00 55.06 55.08 1krw s HIS 73 Cb 0.11 -1.88 0.00 0.00 -0.00 0.00 0.00 32.58 30.81 1krw s HIS 73 CO 0.51 0.29 0.57 -0.35 -0.00 0.00 0.00 174.74 175.76 1krw n PRO 74 N -1.05 0.00 -2.89 8.40 -0.04 -1.26 -3.77 135.00 134.39 1krw n PRO 74 Ca -0.05 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1krw n PRO 74 Cb 0.55 -1.18 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 1krw n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1krw n MET 75 N -1.51 1.06 -1.70 0.54 2.81 -1.25 -4.39 117.12 112.68 1krw n MET 75 Ca 0.00 -2.95 -0.43 0.00 -1.81 0.00 0.00 57.70 52.51 1krw n MET 75 Cb 0.00 -1.26 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1krw n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krw s LEU 76 N -2.73 3.57 0.28 4.03 2.96 -1.26 -4.28 118.68 121.25 1krw s LEU 76 Ca 0.31 1.85 -0.30 0.00 -0.22 0.00 0.00 54.13 55.77 1krw s LEU 76 Cb 0.38 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 43.44 1krw s LEU 76 CO -0.04 -1.80 1.62 -2.84 -1.32 0.00 0.00 176.35 171.97 1krw s PRO 77 N 5.98 4.12 0.09 0.98 0.02 -1.26 -3.14 135.00 141.79 1krw s PRO 77 Ca 0.95 2.59 0.05 0.00 0.02 0.00 0.00 61.00 64.60 1krw s PRO 77 Cb -0.32 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1krw s PRO 77 CO 0.35 -0.66 -0.12 0.08 -0.33 0.00 0.00 177.00 176.32 1krw s VAL 78 N 0.20 1.08 -0.20 3.83 1.01 -1.25 0.29 120.40 125.36 1krw s VAL 78 Ca 0.65 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1krw s VAL 78 Cb -0.48 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1krw s VAL 78 CO 0.45 -0.39 -0.06 -0.63 0.00 0.00 0.00 175.10 174.47 1krw s ILE 79 N -1.88 1.38 -0.15 2.22 1.01 -0.35 0.11 121.20 123.53 1krw s ILE 79 Ca 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1krw s ILE 79 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1krw s ILE 79 CO 0.02 0.06 0.10 -0.63 0.00 0.00 0.00 174.94 174.48 1krw s ILE 80 N 1.50 5.14 0.26 2.92 -1.09 -1.09 -0.20 121.20 128.64 1krw s ILE 80 Ca -0.02 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.51 1krw s ILE 80 Cb -0.17 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1krw s ILE 80 CO -0.07 0.53 1.65 0.00 -1.23 0.00 0.00 174.94 175.82 1krw h MET 81 N 5.87 0.39 -4.12 2.79 -0.00 -1.76 0.20 114.93 118.30 1krw h MET 81 Ca -0.46 -0.19 -0.19 0.00 -0.00 0.00 0.00 59.70 58.86 1krw h MET 81 Cb 1.19 -0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 32.58 1krw h MET 81 CO 0.65 0.73 -0.71 0.99 -0.00 0.00 0.00 176.91 178.58 1krw s THR 82 N -4.20 0.21 -0.63 -0.10 2.01 -1.25 -3.92 115.64 107.75 1krw s THR 82 Ca -0.06 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 60.99 1krw s THR 82 Cb 0.13 -0.42 0.25 0.00 0.01 0.00 0.00 72.50 72.46 1krw s THR 82 CO 0.80 -0.51 0.72 0.00 -0.69 0.00 0.00 174.62 174.94 1krw n ALA 83 N 1.46 3.96 -2.98 7.40 0.00 -1.26 -4.82 120.51 124.28 1krw n ALA 83 Ca -0.23 -4.69 -0.23 0.00 0.00 0.00 0.00 53.44 48.29 1krw n ALA 83 Cb 0.55 -0.90 0.07 0.00 0.00 0.00 0.00 19.45 19.17 1krw n ALA 83 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krw n HIS 84 N 0.94 -2.41 -4.80 0.00 1.44 -1.26 -4.81 115.22 104.31 1krw n HIS 84 Ca 0.29 -1.98 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 1krw n HIS 84 Cb 0.41 -0.55 0.00 0.00 0.12 0.00 0.00 29.99 29.97 1krw n HIS 84 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1krw n SER 85 N -2.44 -2.74 -4.55 4.39 2.88 -1.26 -4.33 113.62 105.57 1krw n SER 85 Ca 0.16 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.56 1krw n SER 85 Cb 0.57 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 1krw n SER 85 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1krw n ASP 86 N -2.37 1.49 0.15 -3.46 2.03 -1.26 -4.73 116.55 108.40 1krw n ASP 86 Ca 0.00 -1.55 0.19 0.00 0.52 0.00 0.00 54.79 53.95 1krw n ASP 86 Cb 0.00 -1.59 0.72 0.00 -0.72 0.00 0.00 41.12 39.54 1krw n ASP 86 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1krw h LEU 87 N 21.75 0.00 -1.37 -2.67 7.12 -1.88 -1.75 115.31 136.51 1krw h LEU 87 Ca 0.00 0.00 0.27 0.00 0.13 0.00 0.00 57.88 58.28 1krw h LEU 87 Cb 1.01 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.04 1krw h LEU 87 CO 1.04 0.00 0.67 -0.78 -0.13 0.00 0.00 178.44 179.25 1krw h ASP 88 N 0.00 0.44 1.27 1.25 3.58 -1.95 0.74 116.42 121.75 1krw h ASP 88 Ca 0.16 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1krw h ASP 88 Cb 1.11 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1krw h ASP 88 CO -0.00 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.44 1krw h ALA 89 N 1.62 1.00 0.13 -0.78 0.00 -1.69 -2.69 119.26 116.85 1krw h ALA 89 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1krw h ALA 89 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1krw h ALA 89 CO -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 178.89 1krw h ALA 90 N 2.01 -0.18 -0.31 0.00 0.00 0.33 -2.10 119.26 119.01 1krw h ALA 90 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1krw h ALA 90 Cb 0.64 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1krw h ALA 90 CO 0.00 -0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.15 1krw h VAL 91 N -0.63 1.26 0.00 0.00 2.07 -1.54 -1.80 116.25 115.61 1krw h VAL 91 Ca -0.02 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1krw h VAL 91 Cb 0.48 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1krw h VAL 91 CO 0.03 0.31 0.00 -1.20 0.02 0.00 0.00 177.57 176.73 1krw n SER 92 N -4.55 0.54 0.08 0.57 7.64 -1.02 -2.53 113.62 114.36 1krw n SER 92 Ca -0.03 0.74 -0.04 0.00 1.01 0.00 0.00 58.87 60.55 1krw n SER 92 Cb 0.27 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.63 1krw n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1krw h ALA 93 N 2.03 -0.32 -1.20 -0.43 0.00 -0.60 -2.56 119.26 116.18 1krw h ALA 93 Ca 0.00 -0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.22 1krw h ALA 93 Cb 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 1krw h ALA 93 CO 0.00 -0.30 0.77 1.88 0.00 0.00 0.00 179.25 181.61 1krw h TYR 94 N -0.90 0.57 0.02 0.00 0.05 -1.36 1.73 116.97 117.08 1krw h TYR 94 Ca -0.03 0.02 -0.24 0.00 0.05 0.00 0.00 58.73 58.53 1krw h TYR 94 Cb 0.21 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 37.81 1krw h TYR 94 CO 0.01 -0.10 -1.00 -0.56 -1.05 0.00 0.00 178.16 175.45 1krw h GLN 95 N 0.20 0.49 -0.73 4.88 -0.00 -1.64 -3.25 115.11 115.06 1krw h GLN 95 Ca 0.73 -0.55 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1krw h GLN 95 Cb 2.14 0.16 0.00 0.00 -0.00 0.00 0.00 27.48 29.78 1krw h GLN 95 CO -0.37 1.18 0.00 0.00 -0.00 0.00 0.00 178.83 179.64 1krw n GLN 96 N -3.76 2.99 0.00 0.06 10.64 0.25 -4.92 117.38 122.64 1krw n GLN 96 Ca -0.08 -2.74 0.00 0.00 -1.83 0.00 0.00 57.00 52.35 1krw n GLN 96 Cb 0.87 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1krw n GLY 97 N 1.55 0.77 3.62 2.61 0.00 0.52 -3.97 105.19 110.30 1krw n GLY 97 Ca 0.25 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw s ALA 98 N 0.00 -1.98 -0.15 4.61 0.00 -1.03 -4.05 121.76 119.15 1krw s ALA 98 Ca 0.00 1.79 -0.19 0.00 0.00 0.00 0.00 51.96 53.56 1krw s ALA 98 Cb 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 23.12 21.67 1krw s ALA 98 CO 0.00 -0.24 0.33 0.35 0.00 0.00 0.00 175.76 176.20 1krw h PHE 99 N 3.70 0.00 0.00 0.00 3.57 0.48 -3.36 116.94 121.33 1krw h PHE 99 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1krw h PHE 99 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1krw h PHE 99 CO 0.30 0.84 0.00 -3.47 -2.23 0.00 0.00 178.31 173.75 1krw n ASP 100 N -4.59 0.00 -4.09 0.41 -0.08 -1.06 -4.97 116.55 102.17 1krw n ASP 100 Ca -0.15 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.02 1krw n ASP 100 Cb 0.43 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.78 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krw s TYR 101 N -3.00 0.71 -0.28 -0.67 1.51 -1.26 -2.66 117.35 111.69 1krw s TYR 101 Ca 0.00 -0.66 -0.10 0.00 -1.01 0.00 0.00 57.07 55.29 1krw s TYR 101 Cb 0.00 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1krw s TYR 101 CO 0.00 -0.13 0.17 -0.51 -1.11 0.00 0.00 175.55 173.97 1krw s LEU 102 N -2.11 3.97 0.27 -1.29 2.01 0.70 -4.95 118.68 117.28 1krw s LEU 102 Ca -0.02 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 53.95 1krw s LEU 102 Cb -0.04 -2.06 0.58 0.00 0.01 0.00 0.00 46.19 44.68 1krw s LEU 102 CO -0.02 -0.09 1.75 -0.65 1.01 0.00 0.00 176.35 178.35 1krw h PRO 103 N 8.35 0.56 0.00 1.29 0.11 -1.90 -3.34 132.00 137.08 1krw h PRO 103 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1krw h PRO 103 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1krw h PRO 103 CO 0.58 0.37 0.00 1.63 -0.21 0.00 0.00 178.00 180.37 1krw n LYS 104 N -4.90 0.00 -1.97 1.05 5.02 -1.26 -4.79 118.16 111.31 1krw n LYS 104 Ca 0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 1krw n LYS 104 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.53 1krw n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1krw s PRO 105 N -2.00 2.99 0.00 1.97 0.04 -1.26 -4.90 135.00 131.84 1krw s PRO 105 Ca 0.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1krw s PRO 105 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1krw s PRO 105 CO 0.00 -0.90 0.00 1.97 0.04 0.00 0.00 177.00 178.11 1krw n PHE 106 N -2.90 -0.52 0.00 0.56 -1.74 -1.26 -4.73 117.46 106.87 1krw n PHE 106 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1krw n PHE 106 Cb 0.57 0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.67 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1krw n ASP 107 N -1.27 0.00 -0.09 5.98 5.68 -1.26 0.67 116.55 126.26 1krw n ASP 107 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1krw n ASP 107 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1krw n ASP 107 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1krw h ILE 108 N 0.00 1.29 0.24 2.12 5.03 -1.98 0.37 117.51 124.58 1krw h ILE 108 Ca 0.00 -1.14 0.01 0.00 -0.12 0.00 0.00 64.86 63.61 1krw h ILE 108 Cb 0.00 1.48 -0.04 0.00 -3.03 0.00 0.00 36.82 35.23 1krw h ILE 108 CO 0.00 0.36 -0.44 0.44 -0.68 0.00 0.00 178.15 177.83 1krw h ASP 109 N 0.28 -1.25 1.15 1.72 3.32 -1.98 0.87 116.42 120.52 1krw h ASP 109 Ca 0.06 0.13 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1krw h ASP 109 Cb 0.58 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1krw h ASP 109 CO 0.03 -0.53 -0.77 -0.33 -1.72 0.00 0.00 179.24 175.92 1krw h GLU 110 N -0.75 0.00 0.04 3.56 4.39 0.18 -2.45 114.58 119.55 1krw h GLU 110 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1krw h GLU 110 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1krw h GLU 110 CO -0.18 0.77 -0.02 0.00 -1.16 0.00 0.00 179.01 178.42 1krw h ALA 111 N 1.23 -0.06 -0.14 3.43 0.00 0.43 -2.52 119.26 121.63 1krw h ALA 111 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1krw h ALA 111 Cb 1.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1krw h ALA 111 CO 0.10 -0.08 0.10 0.28 0.00 0.00 0.00 179.25 179.66 1krw h VAL 112 N -0.97 0.88 -0.14 0.00 2.07 0.65 0.24 116.25 118.98 1krw h VAL 112 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1krw h VAL 112 Cb 0.49 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1krw h VAL 112 CO 0.01 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.63 1krw h ALA 113 N 1.92 0.19 0.00 1.67 0.00 -1.49 -1.40 119.26 120.16 1krw h ALA 113 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1krw h ALA 113 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1krw h ALA 113 CO -0.00 -0.16 -0.05 1.25 0.00 0.00 0.00 179.25 180.29 1krw h LEU 114 N 0.03 0.00 0.11 0.00 5.85 -0.71 -2.97 115.31 117.62 1krw h LEU 114 Ca 0.04 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 1krw h LEU 114 Cb 0.27 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.33 1krw h LEU 114 CO 0.00 0.05 -0.87 1.62 -0.34 0.00 0.00 178.44 178.89 1krw h VAL 115 N 0.00 1.44 -0.50 1.05 3.04 -0.29 -3.17 116.25 117.82 1krw h VAL 115 Ca -0.00 -2.41 -0.08 0.00 -1.01 0.00 0.00 66.70 63.20 1krw h VAL 115 Cb 0.73 2.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.94 1krw h VAL 115 CO 0.01 0.70 0.00 -0.33 -1.01 0.00 0.00 177.57 176.93 1krw h GLU 116 N -0.16 0.88 0.00 4.17 5.08 -1.28 -2.48 114.58 120.79 1krw h GLU 116 Ca -0.14 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1krw h GLU 116 Cb 1.64 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 1krw h GLU 116 CO 0.17 0.91 -0.03 0.00 -1.00 0.00 0.00 179.01 179.06 1krw h ARG 117 N 0.74 0.00 -0.18 2.33 3.08 -1.64 -0.75 114.38 117.97 1krw h ARG 117 Ca 0.14 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 1krw h ARG 117 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1krw h ARG 117 CO 0.03 0.03 -0.70 0.00 -1.07 0.00 0.00 179.97 178.26 1krw h ALA 118 N 1.97 0.32 -0.00 0.04 0.00 -1.42 -2.44 119.26 117.73 1krw h ALA 118 Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1krw h ALA 118 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1krw h ALA 118 CO 0.00 0.65 -0.78 0.82 0.00 0.00 0.00 179.25 179.94 1krw h ILE 119 N 0.52 1.54 -0.36 0.00 2.04 -1.21 -3.18 117.51 116.86 1krw h ILE 119 Ca -0.04 -2.62 -0.08 0.00 1.00 0.00 0.00 64.86 63.12 1krw h ILE 119 Cb 1.33 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1krw h ILE 119 CO 0.15 0.75 -0.08 0.77 0.00 0.00 0.00 178.15 179.74 1krw h SER 120 N 0.02 0.70 0.55 1.72 4.64 -1.15 -1.90 113.55 118.13 1krw h SER 120 Ca -0.01 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1krw h SER 120 Cb 1.38 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1krw h SER 120 CO 0.11 0.90 -0.13 0.45 -0.87 0.00 0.00 176.83 177.29 1krw h HIS 121 N 0.49 0.00 0.01 4.77 3.86 -1.48 -3.04 115.15 119.76 1krw h HIS 121 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1krw h HIS 121 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1krw h HIS 121 CO 0.05 0.13 -0.00 1.88 0.86 0.00 0.00 177.93 180.84 1krw h TYR 122 N 0.00 -0.01 -2.47 2.45 0.05 -1.48 -3.47 116.97 112.05 1krw h TYR 122 Ca -0.00 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 1krw h TYR 122 Cb 0.44 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.25 1krw h TYR 122 CO 0.00 0.84 0.11 0.00 -1.05 0.00 0.00 178.16 178.06 1krw n GLN 123 N -4.67 -1.01 -0.57 4.88 10.64 -0.74 -5.13 117.38 120.78 1krw n GLN 123 Ca -0.09 -0.71 0.00 0.00 -1.83 0.00 0.00 57.00 54.37 1krw n GLN 123 Cb 0.41 -0.54 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 1krw n GLN 123 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62