#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 1.55 0.62 0.03 -0.44 -1.26 -4.87 119.66 115.29 1krw s GLN 2 Ca 0.00 1.54 0.33 0.00 -2.50 0.00 0.00 55.36 54.73 1krw s GLN 2 Cb 0.00 -1.79 1.90 0.00 -1.64 0.00 0.00 33.01 31.48 1krw s GLN 2 CO 0.00 -2.23 2.20 -0.09 0.50 0.00 0.00 175.29 175.67 1krw h ARG 3 N -1.30 0.00 -4.49 1.67 9.65 -2.00 -3.47 114.38 114.45 1krw h ARG 3 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1krw h ARG 3 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1krw h ARG 3 CO 0.46 0.00 -0.10 0.41 2.80 0.00 0.00 179.97 183.54 1krw n GLY 4 N -1.28 -0.95 3.25 2.80 0.00 -1.26 -4.72 105.19 103.02 1krw n GLY 4 Ca -0.01 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.70 3.39 -0.16 -0.61 1.09 -1.26 -1.29 121.20 119.66 1krw s ILE 5 Ca 0.05 -1.03 -0.05 0.00 -1.10 0.00 0.00 60.65 58.52 1krw s ILE 5 Cb -0.01 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.54 1krw s ILE 5 CO 0.48 0.02 -0.01 0.54 -0.10 0.00 0.00 174.94 175.87 1krw s VAL 6 N 1.37 4.15 -0.04 2.92 0.11 0.19 -0.06 120.40 129.05 1krw s VAL 6 Ca -0.01 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1krw s VAL 6 Cb -0.18 -2.83 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1krw s VAL 6 CO -0.00 0.49 -0.15 0.26 -3.33 0.00 0.00 175.10 172.37 1krw s TRP 7 N 0.29 2.67 -0.05 1.54 0.52 -0.87 -1.41 118.94 121.63 1krw s TRP 7 Ca -0.01 -0.18 0.05 0.00 0.02 0.00 0.00 56.10 55.98 1krw s TRP 7 Cb -0.14 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1krw s TRP 7 CO 0.02 0.18 -0.21 0.08 0.02 0.00 0.00 176.95 177.05 1krw s VAL 8 N -0.75 1.71 -0.27 4.03 1.01 0.44 -0.90 120.40 125.68 1krw s VAL 8 Ca 0.12 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1krw s VAL 8 Cb -0.11 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1krw s VAL 8 CO 0.01 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1krw s VAL 9 N -0.02 2.21 0.00 2.92 1.01 0.24 -0.72 120.40 126.04 1krw s VAL 9 Ca -0.05 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1krw s VAL 9 Cb -0.13 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1krw s VAL 9 CO 0.03 -0.08 0.00 -0.67 0.00 0.00 0.00 175.10 174.38 1krw n ASP 10 N 4.42 0.00 0.00 3.32 -0.08 -1.15 -1.77 116.55 121.29 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 0.42 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.15 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 -1.25 -2.29 116.55 124.59 1krw n ASP 11 Ca 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1krw n ASP 11 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 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 -1.11 -0.66 0.00 -2.24 -0.08 -1.21 -4.70 116.55 106.56 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 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 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 -1.75 0.00 0.16 1.67 2.88 -1.26 -0.12 113.62 115.20 1krw n SER 13 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1krw n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1krw n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krw h SER 14 N 0.00 -0.92 0.42 -3.46 0.02 -2.01 0.31 113.55 107.91 1krw h SER 14 Ca 0.00 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1krw h SER 14 Cb 0.00 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1krw h SER 14 CO 0.00 -0.44 -0.16 0.40 -1.14 0.00 0.00 176.83 175.49 1krw h ILE 15 N -0.61 0.68 0.29 3.27 1.08 -0.85 -2.78 117.51 118.58 1krw h ILE 15 Ca 0.01 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1krw h ILE 15 Cb 0.60 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1krw h ILE 15 CO -0.13 0.16 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.26 1krw h ARG 16 N 0.00 -0.38 -0.98 2.37 2.43 -1.19 -2.47 114.38 114.16 1krw h ARG 16 Ca -0.00 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1krw h ARG 16 Cb 0.42 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1krw h ARG 16 CO 0.02 -0.04 0.64 2.35 -1.51 0.00 0.00 179.97 181.43 1krw h TRP 17 N -0.88 1.19 -0.05 2.20 7.01 -0.92 0.60 115.95 125.10 1krw h TRP 17 Ca -0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1krw h TRP 17 Cb 0.52 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1krw h TRP 17 CO 0.04 0.67 0.00 0.28 -2.79 0.00 0.00 178.44 176.65 1krw h VAL 18 N 1.21 1.23 0.00 2.65 2.07 -1.55 -3.03 116.25 118.83 1krw h VAL 18 Ca 0.40 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1krw h VAL 18 Cb 0.04 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1krw h VAL 18 CO -0.13 0.19 -0.77 -0.07 0.02 0.00 0.00 177.57 176.81 1krw h LEU 19 N -0.19 0.00 0.64 2.57 -0.00 -1.27 -3.08 115.31 113.97 1krw h LEU 19 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1krw h LEU 19 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1krw h LEU 19 CO 0.00 0.52 -0.31 1.05 -0.00 0.00 0.00 178.44 179.71 1krw h GLU 20 N 0.00 -0.83 -0.02 1.13 4.11 0.17 -2.43 114.58 116.72 1krw h GLU 20 Ca -0.05 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1krw h GLU 20 Cb 1.44 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 1krw h GLU 20 CO 0.06 -0.55 -0.00 0.00 0.07 0.00 0.00 179.01 178.59 1krw h ARG 21 N -1.23 0.03 0.14 1.06 2.47 -1.71 -1.12 114.38 114.02 1krw h ARG 21 Ca -0.09 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1krw h ARG 21 Cb 0.66 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 1krw h ARG 21 CO 0.14 0.41 -0.41 0.00 0.56 0.00 0.00 179.97 180.67 1krw h ALA 22 N 0.62 -0.73 0.00 0.04 0.00 -1.68 0.14 119.26 117.66 1krw h ALA 22 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1krw h ALA 22 Cb 0.40 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1krw h ALA 22 CO 0.00 -0.98 -0.08 1.25 0.00 0.00 0.00 179.25 179.45 1krw h LEU 23 N -0.65 0.00 -0.59 0.00 5.85 -1.52 -1.41 115.31 116.99 1krw h LEU 23 Ca 0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1krw h LEU 23 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1krw h LEU 23 CO -0.23 0.08 -0.38 0.00 -0.34 0.00 0.00 178.44 177.57 1krw h ALA 24 N 1.92 0.77 0.00 1.25 0.00 0.31 -2.34 119.26 121.17 1krw h ALA 24 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1krw h ALA 24 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1krw h ALA 24 CO 0.01 0.65 -0.06 0.78 0.00 0.00 0.00 179.25 180.64 1krw h GLY 25 N 0.96 0.00 2.00 0.00 0.00 0.34 0.14 103.07 106.51 1krw h GLY 25 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1krw h GLY 25 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1krw h ALA 26 N 1.94 1.00 0.00 3.60 0.00 -1.36 -3.47 119.26 120.98 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1krw h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krw n GLY 27 N 0.96 1.67 3.46 0.00 0.00 0.04 -5.12 105.19 106.19 1krw n GLY 27 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 2.09 -0.47 0.99 1.02 -1.17 -4.90 118.68 116.24 1krw s LEU 28 Ca 0.00 -1.45 -0.16 0.00 0.02 0.00 0.00 54.13 52.55 1krw s LEU 28 Cb 0.00 -0.29 0.07 0.00 0.02 0.00 0.00 46.19 45.99 1krw s LEU 28 CO 0.00 -0.69 0.40 -0.89 0.02 0.00 0.00 176.35 175.18 1krw s THR 29 N -3.32 5.22 -0.33 5.49 2.01 -0.41 -4.15 115.64 120.16 1krw s THR 29 Ca 0.33 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1krw s THR 29 Cb 0.07 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1krw s THR 29 CO 0.15 -0.57 0.19 0.00 -0.69 0.00 0.00 174.62 173.71 1krw s THR 31 N 1.65 3.13 0.20 0.00 -1.32 -0.50 -4.57 115.64 114.23 1krw s THR 31 Ca 0.05 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1krw s THR 31 Cb -0.17 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.16 1krw s THR 31 CO 0.08 -0.23 -0.04 0.42 -2.21 0.00 0.00 174.62 172.63 1krw s THR 32 N -2.01 1.11 0.31 5.08 -4.23 -1.25 0.17 115.64 114.81 1krw s THR 32 Ca 0.27 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1krw s THR 32 Cb -0.07 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1krw s THR 32 CO 0.16 -0.48 0.17 -0.36 -0.54 0.00 0.00 174.62 173.57 1krw s PHE 33 N -3.37 1.60 0.27 3.99 0.40 0.11 -4.90 117.98 116.07 1krw s PHE 33 Ca 0.24 -1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.14 1krw s PHE 33 Cb 0.04 -0.85 0.34 0.00 0.51 0.00 0.00 43.02 43.07 1krw s PHE 33 CO 0.06 -0.54 1.93 1.05 0.70 0.00 0.00 175.22 178.41 1krw h GLU 34 N 2.21 1.23 0.00 0.44 4.11 -1.90 -3.04 114.58 117.62 1krw h GLU 34 Ca -0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1krw h GLU 34 Cb 1.25 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1krw h GLU 34 CO 0.51 0.81 0.00 0.09 0.07 0.00 0.00 179.01 180.49 1krw n ASN 35 N -4.42 -0.78 0.00 3.06 3.02 -0.97 -3.94 115.26 111.23 1krw n ASN 35 Ca 0.12 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1krw n ASN 35 Cb 0.06 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1krw n GLY 36 N -1.44 0.17 0.31 7.41 0.00 -1.26 -3.20 105.19 107.17 1krw n GLY 36 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1krw n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1krw h ASN 37 N 0.00 0.61 0.16 1.61 -0.26 -1.98 -3.20 115.58 112.51 1krw h ASN 37 Ca 0.00 -0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1krw h ASN 37 Cb 0.00 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 1krw h ASN 37 CO 0.00 0.52 -0.44 -0.33 -1.06 0.00 0.00 177.43 176.12 1krw h GLU 38 N 0.68 -0.64 -1.37 0.81 3.07 -1.98 -1.17 114.58 113.97 1krw h GLU 38 Ca 0.17 0.04 0.40 0.00 -0.50 0.00 0.00 59.36 59.48 1krw h GLU 38 Cb 0.07 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 28.06 1krw h GLU 38 CO -0.02 -0.43 0.97 0.28 -1.40 0.00 0.00 179.01 178.41 1krw h VAL 39 N -0.67 0.30 -0.44 3.13 2.07 -1.95 1.28 116.25 119.97 1krw h VAL 39 Ca -0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1krw h VAL 39 Cb 0.65 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1krw h VAL 39 CO -0.21 0.01 0.11 -0.07 0.02 0.00 0.00 177.57 177.43 1krw h LEU 40 N 0.04 0.67 0.05 2.57 3.38 -1.30 0.75 115.31 121.46 1krw h LEU 40 Ca 0.68 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 58.30 1krw h LEU 40 Cb 2.58 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 43.16 1krw h LEU 40 CO -0.07 0.72 -0.59 0.00 0.09 0.00 0.00 178.44 178.60 1krw h ALA 41 N 0.97 0.05 -0.91 1.53 0.00 0.14 -3.32 119.26 117.72 1krw h ALA 41 Ca 0.14 -0.75 0.13 0.00 0.00 0.00 0.00 54.91 54.44 1krw h ALA 41 Cb 0.31 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1krw h ALA 41 CO 0.00 0.32 0.58 0.00 0.00 0.00 0.00 179.25 180.15 1krw h ALA 42 N -0.07 1.75 0.00 0.00 0.00 0.11 0.84 119.26 121.89 1krw h ALA 42 Ca -0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1krw h ALA 42 Cb 1.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1krw h ALA 42 CO 0.01 0.01 -0.11 -0.07 0.00 0.00 0.00 179.25 179.08 1krw h LEU 43 N 0.76 0.00 -1.74 0.00 3.38 -0.97 -2.83 115.31 113.92 1krw h LEU 43 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1krw h LEU 43 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1krw h LEU 43 CO -0.21 0.11 0.26 0.00 0.09 0.00 0.00 178.44 178.68 1krw h ALA 44 N 1.89 1.23 -0.00 1.53 0.00 -0.92 -0.18 119.26 122.81 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1krw h ALA 44 CO 0.01 -0.23 -0.00 0.43 0.00 0.00 0.00 179.25 179.46 1krw n SER 45 N -2.62 0.42 -3.56 0.00 7.64 -1.07 -5.08 113.62 109.35 1krw n SER 45 Ca -0.02 -0.71 -0.08 0.00 1.01 0.00 0.00 58.87 59.08 1krw n SER 45 Cb 0.30 0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 64.07 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1krw s LYS 46 N -0.60 1.01 -0.05 1.43 2.20 -0.08 -5.16 119.74 118.49 1krw s LYS 46 Ca 0.00 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1krw s LYS 46 Cb 0.00 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.78 1krw s LYS 46 CO 0.00 -0.45 0.05 0.99 -0.36 0.00 0.00 175.35 175.59 1krw s THR 47 N -3.28 -0.04 0.72 3.43 2.01 -1.26 -4.00 115.64 113.21 1krw s THR 47 Ca 0.06 0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 1krw s THR 47 Cb -0.01 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.30 1krw s THR 47 CO -0.06 0.17 1.10 -2.16 -0.69 0.00 0.00 174.62 172.97 1krw s PRO 48 N 2.14 2.69 0.36 4.92 0.04 -1.26 -4.98 135.00 138.91 1krw s PRO 48 Ca 0.05 0.36 0.19 0.00 0.04 0.00 0.00 61.00 61.64 1krw s PRO 48 Cb -0.12 -2.02 0.55 0.00 0.04 0.00 0.00 34.50 32.95 1krw s PRO 48 CO -0.04 -1.12 1.67 -0.44 0.04 0.00 0.00 177.00 177.11 1krw h ASP 49 N -0.70 0.00 -5.24 6.66 3.32 -0.86 -3.46 116.42 116.13 1krw h ASP 49 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1krw h ASP 49 Cb 1.27 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.68 1krw h ASP 49 CO 0.64 0.38 -0.44 0.54 -1.72 0.00 0.00 179.24 178.64 1krw s VAL 50 N -3.43 0.12 -0.19 -1.35 0.11 -1.16 -4.64 120.40 109.87 1krw s VAL 50 Ca 0.01 -1.45 -0.09 0.00 -2.93 0.00 0.00 61.98 57.52 1krw s VAL 50 Cb 0.10 -1.63 0.07 0.00 -1.53 0.00 0.00 36.38 33.39 1krw s VAL 50 CO 0.69 -0.56 0.45 -0.22 -3.33 0.00 0.00 175.10 172.13 1krw s LEU 51 N -2.93 -0.39 -0.32 2.54 2.96 -0.61 -2.04 118.68 117.89 1krw s LEU 51 Ca 0.12 1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.95 1krw s LEU 51 Cb 0.05 1.49 -0.00 0.00 0.50 0.00 0.00 46.19 48.23 1krw s LEU 51 CO -0.05 -0.21 0.16 -0.22 -1.32 0.00 0.00 176.35 174.70 1krw s LEU 52 N 1.84 4.21 -0.07 -0.68 0.20 -0.07 -0.21 118.68 123.89 1krw s LEU 52 Ca -0.07 -0.61 0.01 0.00 0.69 0.00 0.00 54.13 54.14 1krw s LEU 52 Cb -0.09 -2.00 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 1krw s LEU 52 CO -0.14 -0.23 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.07 1krw s SER 53 N 1.60 4.58 0.89 3.68 0.15 0.24 0.82 113.70 125.66 1krw s SER 53 Ca 0.04 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 1krw s SER 53 Cb -0.17 -1.19 0.08 0.00 -1.71 0.00 0.00 66.02 63.02 1krw s SER 53 CO 0.06 0.34 0.47 -0.90 1.20 0.00 0.00 173.24 174.41 1krw n ASP 54 N 2.35 0.14 -3.77 5.45 5.75 -0.73 -2.66 116.55 123.09 1krw n ASP 54 Ca -0.18 -1.23 -0.06 0.00 -0.01 0.00 0.00 54.79 53.30 1krw n ASP 54 Cb 0.53 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1krw n ASP 54 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1krw s ILE 55 N -1.84 0.00 -1.34 2.12 2.07 -1.26 -4.49 121.20 116.45 1krw s ILE 55 Ca 0.27 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.52 1krw s ILE 55 Cb -0.01 -2.07 0.02 0.00 0.13 0.00 0.00 42.46 40.53 1krw s ILE 55 CO 0.19 0.00 1.08 -2.11 -1.91 0.00 0.00 174.94 172.19 1krw n ARG 56 N -0.47 -7.07 0.04 3.50 1.85 0.39 -4.80 116.66 110.10 1krw n ARG 56 Ca -0.05 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.59 1krw n ARG 56 Cb 0.59 -5.77 0.00 0.00 -1.05 0.00 0.00 32.46 26.23 1krw n ARG 56 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1krw n MET 57 N -4.69 0.00 0.00 2.89 2.81 0.18 -5.02 117.12 113.29 1krw n MET 57 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1krw n MET 57 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.10 1krw n MET 57 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1krw n PRO 58 N -2.71 0.04 0.00 0.03 -0.04 -1.10 -4.83 135.00 126.39 1krw n PRO 58 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1krw n PRO 58 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 -2.01 2.49 0.55 0.00 -1.26 -3.33 105.19 101.62 1krw n GLY 59 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 2.96 0.00 1.61 0.00 -1.26 -4.75 117.12 115.51 1krw n MET 60 Ca 0.00 -1.94 0.00 0.00 -0.00 0.00 0.00 57.70 55.76 1krw n MET 60 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 33.22 30.51 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 4.16 0.00 0.00 6.12 8.00 -1.21 -1.81 116.55 131.81 1krw n ASP 61 Ca 0.63 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1krw n ASP 61 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krw n GLY 62 N 0.00 0.07 0.10 0.44 0.00 -1.26 0.15 105.19 104.69 1krw n GLY 62 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1krw n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1krw n LEU 63 N -0.62 0.42 -0.10 0.99 4.32 -0.75 -2.14 117.00 119.12 1krw n LEU 63 Ca 0.00 0.65 0.20 0.00 -0.02 0.00 0.00 56.01 56.85 1krw n LEU 63 Cb 0.00 -0.66 0.63 0.00 -1.62 0.00 0.00 43.42 41.78 1krw n LEU 63 CO 0.00 -0.67 1.21 0.00 -1.22 0.00 0.00 177.39 176.71 1krw h ALA 64 N 2.14 2.44 0.28 -1.18 0.00 -1.87 -0.43 119.26 120.64 1krw h ALA 64 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1krw h ALA 64 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1krw h ALA 64 CO 0.00 -0.64 -0.13 -0.07 0.00 0.00 0.00 179.25 178.41 1krw h LEU 65 N 0.15 -0.31 -0.84 0.00 4.07 -1.76 -2.54 115.31 114.08 1krw h LEU 65 Ca 0.33 -0.08 0.21 0.00 0.08 0.00 0.00 57.88 58.42 1krw h LEU 65 Cb 1.11 0.08 -0.14 0.00 1.08 0.00 0.00 40.66 42.80 1krw h LEU 65 CO -0.05 -0.11 0.14 -0.07 -1.08 0.00 0.00 178.44 177.27 1krw h LEU 66 N -0.50 -0.15 0.38 1.67 -0.00 -1.28 0.78 115.31 116.21 1krw h LEU 66 Ca -0.04 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1krw h LEU 66 Cb 0.37 0.30 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1krw h LEU 66 CO 0.06 -0.17 -0.22 0.11 -0.00 0.00 0.00 178.44 178.22 1krw h LYS 67 N 0.16 -0.54 0.00 1.13 1.57 -1.30 -1.72 116.57 115.87 1krw h LYS 67 Ca 0.50 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1krw h LYS 67 Cb 0.96 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1krw h LYS 67 CO -0.67 -0.36 -0.17 1.96 -0.57 0.00 0.00 179.45 179.64 1krw h GLN 68 N -0.56 0.00 -0.47 3.15 1.08 -0.67 -2.51 115.11 115.13 1krw h GLN 68 Ca -0.04 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1krw h GLN 68 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1krw h GLN 68 CO 0.05 0.17 0.01 0.82 -0.95 0.00 0.00 178.83 178.93 1krw h ILE 69 N 0.00 1.24 0.00 2.54 2.04 0.12 -2.77 117.51 120.68 1krw h ILE 69 Ca -0.00 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 64.74 1krw h ILE 69 Cb 0.35 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1krw h ILE 69 CO 0.02 0.34 -0.69 0.07 0.00 0.00 0.00 178.15 177.89 1krw h LYS 70 N 0.72 0.00 -0.02 2.37 2.10 -0.89 0.32 116.57 121.17 1krw h LYS 70 Ca 0.14 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.69 1krw h LYS 70 Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1krw h LYS 70 CO 0.02 0.69 -0.45 1.96 -2.00 0.00 0.00 179.45 179.67 1krw h GLN 71 N 0.00 0.06 0.00 0.07 4.20 -1.33 -3.40 115.11 114.70 1krw h GLN 71 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1krw h GLN 71 Cb 1.32 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1krw h GLN 71 CO 0.09 0.50 -0.58 0.54 -0.67 0.00 0.00 178.83 178.70 1krw n ARG 72 N -4.00 0.13 -2.73 1.46 5.12 -1.12 -5.06 116.66 110.46 1krw n ARG 72 Ca -0.02 0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.63 1krw n ARG 72 Cb 0.48 -0.73 -0.05 0.00 -1.16 0.00 0.00 32.46 31.00 1krw n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1krw s HIS 73 N -2.19 3.38 0.00 -1.55 0.09 0.11 -5.05 115.29 110.08 1krw s HIS 73 Ca -0.08 1.46 0.00 0.00 -0.00 0.00 0.00 55.06 56.45 1krw s HIS 73 Cb 0.02 -2.75 0.00 0.00 -0.00 0.00 0.00 32.58 29.84 1krw s HIS 73 CO 0.11 -0.16 0.13 -0.35 -0.00 0.00 0.00 174.74 174.47 1krw n PRO 74 N -0.96 0.00 -2.63 8.40 -0.04 -1.26 -4.12 135.00 134.40 1krw n PRO 74 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1krw n PRO 74 Cb 0.54 -0.60 0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.45 1.68 -1.87 0.54 2.81 -1.25 -4.78 117.12 113.80 1krw n MET 75 Ca 0.00 -3.53 -0.43 0.00 -1.81 0.00 0.00 57.70 51.93 1krw n MET 75 Cb 0.00 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.00 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 -3.27 4.00 -0.14 4.03 0.20 -1.26 -4.75 118.68 117.50 1krw s LEU 76 Ca 0.32 2.04 -0.33 0.00 0.69 0.00 0.00 54.13 56.85 1krw s LEU 76 Cb 0.44 -3.53 -0.10 0.00 -0.43 0.00 0.00 46.19 42.57 1krw s LEU 76 CO -0.01 -1.31 1.99 -2.65 -0.29 0.00 0.00 176.35 174.08 1krw n PRO 77 N 7.79 2.03 -4.44 0.98 -0.02 -1.25 -4.69 135.00 135.40 1krw n PRO 77 Ca 0.21 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 1krw n PRO 77 Cb 0.44 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 1krw n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krw s VAL 78 N 5.29 3.69 -0.21 -1.45 1.01 -1.26 -1.57 120.40 125.90 1krw s VAL 78 Ca 0.96 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1krw s VAL 78 Cb -0.64 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.19 1krw s VAL 78 CO 0.48 0.39 -0.03 -0.63 0.00 0.00 0.00 175.10 175.31 1krw s ILE 79 N -1.00 1.19 -0.04 2.22 1.01 0.71 -0.47 121.20 124.83 1krw s ILE 79 Ca 0.17 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1krw s ILE 79 Cb -0.11 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1krw s ILE 79 CO 0.08 -0.07 0.27 -0.63 0.00 0.00 0.00 174.94 174.59 1krw s ILE 80 N 1.56 5.28 0.25 2.92 -1.09 -1.18 0.81 121.20 129.76 1krw s ILE 80 Ca -0.03 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.87 1krw s ILE 80 Cb -0.18 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1krw s ILE 80 CO -0.07 0.52 1.57 0.00 -1.23 0.00 0.00 174.94 175.72 1krw h MET 81 N 4.54 0.10 -4.06 2.79 -0.00 -1.78 -2.23 114.93 114.30 1krw h MET 81 Ca -0.52 -0.08 -0.14 0.00 -0.00 0.00 0.00 59.70 58.96 1krw h MET 81 Cb 1.22 0.01 -0.12 0.00 -0.00 0.00 0.00 31.60 32.71 1krw h MET 81 CO 0.62 0.71 -0.35 0.99 -0.00 0.00 0.00 176.91 178.87 1krw s THR 82 N -3.61 0.01 0.00 -0.10 2.01 -1.23 -3.92 115.64 108.80 1krw s THR 82 Ca -0.02 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1krw s THR 82 Cb 0.12 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1krw s THR 82 CO 0.78 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.66 1krw n ALA 83 N -0.31 0.21 0.00 7.40 0.00 -1.24 -4.64 120.51 121.93 1krw n ALA 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1krw n ALA 83 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.12 0.00 0.00 0.00 1.44 -1.26 -1.78 115.22 113.51 1krw n HIS 84 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1krw n HIS 84 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1krw n HIS 84 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1krw n SER 85 N 2.55 0.92 -0.56 4.39 3.41 -1.26 -4.64 113.62 118.43 1krw n SER 85 Ca 0.00 -0.38 0.01 0.00 -0.26 0.00 0.00 58.87 58.24 1krw n SER 85 Cb 0.00 0.95 0.04 0.00 -0.26 0.00 0.00 64.21 64.94 1krw n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1krw n ASP 86 N -1.04 1.31 0.31 4.04 9.92 -0.73 -4.23 116.55 126.13 1krw n ASP 86 Ca 0.00 -2.08 0.13 0.00 -0.53 0.00 0.00 54.79 52.31 1krw n ASP 86 Cb 0.00 -0.44 0.66 0.00 -0.64 0.00 0.00 41.12 40.70 1krw n ASP 86 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1krw h LEU 87 N 0.43 0.00 -0.52 0.64 3.38 -1.80 -2.76 115.31 114.67 1krw h LEU 87 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1krw h LEU 87 Cb 0.56 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 1krw h LEU 87 CO 0.04 0.00 -0.31 0.44 0.09 0.00 0.00 178.44 178.70 1krw h ASP 88 N 0.00 -1.07 0.55 -0.43 5.19 -1.92 0.63 116.42 119.38 1krw h ASP 88 Ca 0.02 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1krw h ASP 88 Cb 0.97 0.53 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 1krw h ASP 88 CO -0.00 -0.30 -0.02 0.00 -3.12 0.00 0.00 179.24 175.80 1krw h ALA 89 N 0.97 1.03 -0.47 3.45 0.00 -1.88 -2.51 119.26 119.86 1krw h ALA 89 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1krw h ALA 89 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1krw h ALA 89 CO -0.62 0.02 -0.20 0.00 0.00 0.00 0.00 179.25 178.45 1krw h ALA 90 N 1.98 0.66 -0.45 0.00 0.00 0.10 -2.52 119.26 119.02 1krw h ALA 90 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1krw h ALA 90 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1krw h ALA 90 CO 0.00 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.38 1krw h VAL 91 N 0.81 0.95 -0.47 0.00 2.07 -0.89 -2.05 116.25 116.68 1krw h VAL 91 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1krw h VAL 91 Cb 0.78 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1krw h VAL 91 CO 0.06 0.08 0.23 0.28 0.02 0.00 0.00 177.57 178.24 1krw h SER 92 N 0.43 0.60 -0.91 0.57 0.02 -1.62 -2.56 113.55 110.09 1krw h SER 92 Ca 0.20 -0.12 0.23 0.00 -0.84 0.00 0.00 61.79 61.26 1krw h SER 92 Cb 0.12 -0.15 -0.13 0.00 0.14 0.00 0.00 62.40 62.38 1krw h SER 92 CO -0.15 0.55 0.41 0.00 -1.14 0.00 0.00 176.83 176.51 1krw h ALA 93 N 1.07 1.50 -0.23 3.77 0.00 -0.93 1.29 119.26 125.73 1krw h ALA 93 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1krw h ALA 93 Cb 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1krw h ALA 93 CO -0.02 -0.37 0.24 1.88 0.00 0.00 0.00 179.25 180.98 1krw h TYR 94 N 0.39 0.00 -0.13 0.00 0.05 -1.00 0.69 116.97 116.97 1krw h TYR 94 Ca 0.58 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.28 1krw h TYR 94 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1krw h TYR 94 CO -0.13 0.00 -0.25 -0.56 -1.05 0.00 0.00 178.16 176.18 1krw h GLN 95 N 0.00 0.40 0.00 4.88 3.07 0.16 -3.14 115.11 120.48 1krw h GLN 95 Ca 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.59 1krw h GLN 95 Cb 0.59 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1krw h GLN 95 CO -0.00 0.85 0.00 1.96 0.09 0.00 0.00 178.83 181.73 1krw h GLN 96 N -0.01 0.00 0.00 0.06 1.08 -0.97 -3.46 115.11 111.81 1krw h GLN 96 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1krw h GLN 96 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1krw h GLN 96 CO 0.06 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.35 1krw n GLY 97 N 0.50 1.74 3.76 3.46 0.00 -0.36 -3.80 105.19 110.50 1krw n GLY 97 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.94 -0.10 4.61 0.00 0.07 -3.96 121.76 123.33 1krw s ALA 98 Ca 0.00 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.96 1krw s ALA 98 Cb 0.00 -3.49 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 1krw s ALA 98 CO 0.00 -1.05 0.64 0.35 0.00 0.00 0.00 175.76 175.70 1krw h PHE 99 N 1.84 -0.07 0.00 0.00 3.57 -1.08 -3.44 116.94 117.76 1krw h PHE 99 Ca -0.50 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1krw h PHE 99 Cb 1.27 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1krw h PHE 99 CO 0.49 0.48 0.00 -3.47 -2.23 0.00 0.00 178.31 173.58 1krw n ASP 100 N -4.77 0.00 -3.93 0.41 2.03 -1.14 -5.02 116.55 104.13 1krw n ASP 100 Ca -0.07 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 1krw n ASP 100 Cb 0.28 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.58 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1krw s TYR 101 N -3.00 0.16 -0.26 -0.67 1.51 -1.26 -3.08 117.35 110.75 1krw s TYR 101 Ca 0.00 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1krw s TYR 101 Cb 0.00 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1krw s TYR 101 CO 0.00 -0.25 0.10 -0.51 -1.11 0.00 0.00 175.55 173.78 1krw s LEU 102 N -1.51 3.61 0.00 -1.29 1.02 -0.84 -4.99 118.68 114.69 1krw s LEU 102 Ca -0.14 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1krw s LEU 102 Cb -0.08 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.17 1krw s LEU 102 CO -0.00 -0.05 0.40 -0.81 0.02 0.00 0.00 176.35 175.90 1krw n PRO 103 N 4.95 0.00 -0.04 1.29 -0.04 -1.26 -3.49 135.00 136.41 1krw n PRO 103 Ca -0.16 0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1krw n PRO 103 Cb 0.51 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1krw n PRO 103 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1krw n LYS 104 N -1.21 0.36 -1.02 0.54 4.81 -1.26 -4.69 118.16 115.69 1krw n LYS 104 Ca 0.00 0.14 -0.33 0.00 -0.87 0.00 0.00 58.31 57.25 1krw n LYS 104 Cb 0.00 -1.13 0.14 0.00 0.02 0.00 0.00 35.03 34.06 1krw n LYS 104 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1krw n PRO 105 N -4.15 0.05 0.00 1.64 -0.04 -1.26 -4.95 135.00 126.28 1krw n PRO 105 Ca -0.10 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1krw n PRO 105 Cb 0.35 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krw n PHE 106 N -3.48 0.00 -0.30 0.54 7.35 -1.26 -4.84 117.46 115.47 1krw n PHE 106 Ca 0.13 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.84 1krw n PHE 106 Cb 0.51 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.33 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1krw n ASP 107 N 0.00 -1.14 -0.16 -2.13 5.68 -1.26 -1.83 116.55 115.72 1krw n ASP 107 Ca 0.00 0.18 -0.11 0.00 -0.50 0.00 0.00 54.79 54.35 1krw n ASP 107 Cb 0.00 -0.84 -0.01 0.00 -1.14 0.00 0.00 41.12 39.13 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 -0.15 1.27 -0.06 2.12 5.03 -2.01 -0.22 117.51 123.48 1krw h ILE 108 Ca 0.00 -1.31 0.03 0.00 -0.12 0.00 0.00 64.86 63.46 1krw h ILE 108 Cb 0.15 1.14 -0.06 0.00 -3.03 0.00 0.00 36.82 35.02 1krw h ILE 108 CO 0.00 0.45 -0.48 -0.78 -0.68 0.00 0.00 178.15 176.66 1krw h ASP 109 N 0.78 -1.50 0.71 1.72 3.58 -1.99 0.94 116.42 120.65 1krw h ASP 109 Ca 0.11 0.18 -0.19 0.00 0.42 0.00 0.00 57.03 57.55 1krw h ASP 109 Cb 0.73 0.59 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 1krw h ASP 109 CO 0.06 -0.48 -0.88 -0.33 -2.88 0.00 0.00 179.24 174.73 1krw h GLU 110 N -0.59 0.11 0.60 0.28 4.39 -1.42 -2.01 114.58 115.94 1krw h GLU 110 Ca 0.04 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1krw h GLU 110 Cb 0.68 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1krw h GLU 110 CO -0.38 0.91 -0.29 0.00 -1.16 0.00 0.00 179.01 178.10 1krw h ALA 111 N 1.04 -0.92 -0.16 3.43 0.00 -0.60 -0.24 119.26 121.81 1krw h ALA 111 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1krw h ALA 111 Cb 1.52 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1krw h ALA 111 CO 0.13 -0.86 0.11 0.28 0.00 0.00 0.00 179.25 178.90 1krw h VAL 112 N -1.06 0.97 -0.34 0.00 2.07 0.79 0.22 116.25 118.90 1krw h VAL 112 Ca -0.08 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1krw h VAL 112 Cb 0.62 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1krw h VAL 112 CO 0.14 0.02 0.08 0.00 0.02 0.00 0.00 177.57 177.83 1krw h ALA 113 N 1.92 0.45 0.00 1.67 0.00 -1.27 -1.36 119.26 120.66 1krw h ALA 113 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1krw h ALA 113 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1krw h ALA 113 CO -0.01 0.11 -0.09 1.25 0.00 0.00 0.00 179.25 180.52 1krw h LEU 114 N 0.39 0.00 0.13 0.00 5.85 0.23 -3.18 115.31 118.73 1krw h LEU 114 Ca 0.11 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 1krw h LEU 114 Cb 0.29 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.34 1krw h LEU 114 CO 0.00 0.09 -0.81 1.62 -0.34 0.00 0.00 178.44 178.99 1krw h VAL 115 N 0.00 1.49 -0.50 1.05 3.04 -0.32 -3.19 116.25 117.82 1krw h VAL 115 Ca -0.00 -2.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.21 1krw h VAL 115 Cb 0.93 3.11 -0.02 0.00 -2.01 0.00 0.00 31.29 33.30 1krw h VAL 115 CO 0.01 0.71 0.32 -0.33 -1.01 0.00 0.00 177.57 177.27 1krw h GLU 116 N -0.31 0.67 0.00 4.17 5.08 -1.34 -1.54 114.58 121.32 1krw h GLU 116 Ca -0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1krw h GLU 116 Cb 1.62 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1krw h GLU 116 CO 0.15 0.46 -0.04 0.00 -1.00 0.00 0.00 179.01 178.58 1krw h ARG 117 N 0.68 0.00 -0.07 2.33 2.47 -1.67 -2.43 114.38 115.69 1krw h ARG 117 Ca 0.18 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.72 1krw h ARG 117 Cb -0.05 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1krw h ARG 117 CO -0.04 0.04 -0.65 0.00 0.56 0.00 0.00 179.97 179.88 1krw h ALA 118 N 1.96 0.17 -0.09 0.04 0.00 -1.27 -2.77 119.26 117.29 1krw h ALA 118 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1krw h ALA 118 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1krw h ALA 118 CO 0.01 0.46 -0.21 0.82 0.00 0.00 0.00 179.25 180.33 1krw h ILE 119 N 0.16 1.19 -0.03 0.00 2.04 -1.12 -2.40 117.51 117.36 1krw h ILE 119 Ca -0.06 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1krw h ILE 119 Cb 1.32 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1krw h ILE 119 CO 0.13 0.27 -0.02 0.28 0.00 0.00 0.00 178.15 178.81 1krw h SER 120 N 0.14 0.07 0.23 1.72 0.02 -1.49 -2.98 113.55 111.26 1krw h SER 120 Ca 0.02 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1krw h SER 120 Cb 0.45 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1krw h SER 120 CO 0.03 0.49 -0.06 0.45 -1.14 0.00 0.00 176.83 176.60 1krw h HIS 121 N -0.36 0.00 0.59 3.45 3.86 -1.32 -3.02 115.15 118.35 1krw h HIS 121 Ca 0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1krw h HIS 121 Cb 0.47 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1krw h HIS 121 CO 0.08 0.06 -0.28 -0.92 0.86 0.00 0.00 177.93 177.73 1krw h TYR 122 N 0.00 -0.73 -0.62 2.45 3.20 -1.30 -3.48 116.97 116.48 1krw h TYR 122 Ca -0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1krw h TYR 122 Cb 0.19 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1krw h TYR 122 CO 0.00 -0.43 -0.01 0.00 -1.64 0.00 0.00 178.16 176.08 1krw n GLN 123 N -5.31 -0.05 -0.52 1.82 10.64 -1.14 -5.13 117.38 117.69 1krw n GLN 123 Ca -0.10 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1krw n GLN 123 Cb 0.33 -0.06 0.00 0.00 -0.86 0.00 0.00 30.24 29.64 1krw n GLN 123 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62