#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw n GLN 2 N 0.00 -2.83 0.00 2.12 6.02 -1.26 -3.90 117.38 117.54 1krw n GLN 2 Ca 0.00 1.96 0.11 0.00 -0.01 0.00 0.00 57.00 59.06 1krw n GLN 2 Cb 0.00 -3.42 0.63 0.00 1.02 0.00 0.00 30.24 28.47 1krw n GLN 2 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1krw n ARG 3 N -4.12 0.82 -1.17 -1.09 1.85 -1.26 -4.91 116.66 106.79 1krw n ARG 3 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1krw n ARG 3 Cb 0.63 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 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 0.58 -1.57 3.28 2.89 0.00 -1.25 -4.70 105.19 104.41 1krw n GLY 4 Ca 0.16 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.29 3.62 -0.23 -0.61 1.09 -1.26 -0.39 121.20 123.13 1krw s ILE 5 Ca 0.00 -0.97 -0.06 0.00 -1.10 0.00 0.00 60.65 58.53 1krw s ILE 5 Cb 0.00 -2.95 -0.02 0.00 -1.06 0.00 0.00 42.46 38.43 1krw s ILE 5 CO 0.00 -0.01 0.01 0.54 -0.10 0.00 0.00 174.94 175.39 1krw s VAL 6 N 1.41 3.88 -0.03 2.92 0.11 0.20 0.11 120.40 129.00 1krw s VAL 6 Ca -0.00 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1krw s VAL 6 Cb -0.18 -2.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.85 1krw s VAL 6 CO 0.01 0.39 -0.10 0.26 -3.33 0.00 0.00 175.10 172.33 1krw s TRP 7 N 1.44 2.81 0.02 1.54 0.52 -1.05 -2.71 118.94 121.50 1krw s TRP 7 Ca 0.05 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.14 1krw s TRP 7 Cb -0.15 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1krw s TRP 7 CO 0.01 0.29 -0.16 0.08 0.02 0.00 0.00 176.95 177.19 1krw s VAL 8 N -0.85 1.25 -0.25 4.03 1.01 0.90 -1.74 120.40 124.75 1krw s VAL 8 Ca 0.14 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1krw s VAL 8 Cb -0.11 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.25 1krw s VAL 8 CO 0.03 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 1krw s VAL 9 N -0.62 2.06 0.00 2.92 1.01 0.14 -0.12 120.40 125.79 1krw s VAL 9 Ca 0.05 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1krw s VAL 9 Cb -0.07 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1krw s VAL 9 CO 0.01 -0.00 0.00 -0.90 0.00 0.00 0.00 175.10 174.20 1krw n ASP 10 N 4.48 0.00 0.00 3.32 5.68 0.13 0.52 116.55 130.68 1krw n ASP 10 Ca -0.14 -0.07 0.05 0.00 -0.50 0.00 0.00 54.79 54.12 1krw n ASP 10 Cb 0.43 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.67 1krw n ASP 10 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1krw n ASP 11 N -0.07 0.00 0.00 -1.12 8.00 -1.26 -3.62 116.55 118.48 1krw n ASP 11 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1krw n ASP 11 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1krw n ASP 12 N -1.16 -1.30 0.00 -2.24 -0.08 -1.26 -4.70 116.55 105.81 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 -1.54 0.12 0.00 0.00 177.20 175.78 1krw n SER 13 N -2.09 0.00 0.12 1.67 3.41 -1.26 -0.14 113.62 115.33 1krw n SER 13 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1krw n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1krw h SER 14 N 0.00 -1.21 0.31 4.04 0.87 -2.00 0.46 113.55 116.02 1krw h SER 14 Ca 0.00 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1krw h SER 14 Cb 0.00 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1krw h SER 14 CO 0.00 -0.49 -0.15 0.40 -0.53 0.00 0.00 176.83 176.07 1krw h ILE 15 N -0.66 0.74 -0.01 2.23 1.08 -0.85 -2.41 117.51 117.64 1krw h ILE 15 Ca 0.02 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1krw h ILE 15 Cb 0.68 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1krw h ILE 15 CO -0.23 0.14 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.23 1krw h ARG 16 N 0.00 0.06 -0.78 2.37 2.43 -0.88 -2.82 114.38 114.76 1krw h ARG 16 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1krw h ARG 16 Cb 0.34 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1krw h ARG 16 CO 0.02 0.71 0.29 2.35 -1.51 0.00 0.00 179.97 181.84 1krw h TRP 17 N -0.59 1.20 -0.40 2.20 7.01 0.03 0.43 115.95 125.84 1krw h TRP 17 Ca -0.00 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 60.82 1krw h TRP 17 Cb 0.72 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1krw h TRP 17 CO 0.16 0.92 -0.06 0.28 -2.79 0.00 0.00 178.44 176.94 1krw h VAL 18 N 1.14 1.27 0.01 2.65 2.07 -1.53 -3.04 116.25 118.82 1krw h VAL 18 Ca 0.26 -1.13 -0.25 0.00 0.82 0.00 0.00 66.70 66.40 1krw h VAL 18 Cb 0.24 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1krw h VAL 18 CO -0.02 0.38 -1.31 0.25 0.02 0.00 0.00 177.57 176.89 1krw h LEU 19 N 0.57 0.04 0.81 2.57 7.12 -1.41 -3.31 115.31 121.70 1krw h LEU 19 Ca 0.11 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 1krw h LEU 19 Cb 0.57 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1krw h LEU 19 CO 0.03 1.04 -0.39 1.05 -0.13 0.00 0.00 178.44 180.04 1krw h GLU 20 N 0.01 -1.05 -0.13 1.25 4.11 -0.17 -1.92 114.58 116.68 1krw h GLU 20 Ca -0.13 0.07 0.04 0.00 0.07 0.00 0.00 59.36 59.41 1krw h GLU 20 Cb 1.88 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 31.32 1krw h GLU 20 CO 0.11 -0.70 -0.19 0.00 0.07 0.00 0.00 179.01 178.30 1krw h ARG 21 N -1.29 -0.23 0.00 1.06 2.47 -1.72 0.72 114.38 115.38 1krw h ARG 21 Ca -0.11 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1krw h ARG 21 Cb 0.83 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1krw h ARG 21 CO 0.18 -0.16 -0.10 0.00 0.56 0.00 0.00 179.97 180.46 1krw h ALA 22 N 0.77 1.76 0.00 0.04 0.00 -1.65 -0.90 119.26 119.28 1krw h ALA 22 Ca 0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1krw h ALA 22 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1krw h ALA 22 CO -0.27 0.13 -1.36 1.25 0.00 0.00 0.00 179.25 178.99 1krw h LEU 23 N 0.00 0.00 -1.30 0.00 6.46 -0.50 -3.22 115.31 116.76 1krw h LEU 23 Ca -0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1krw h LEU 23 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1krw h LEU 23 CO 0.01 0.99 -0.20 0.00 -0.62 0.00 0.00 178.44 178.63 1krw h ALA 24 N 1.01 1.42 0.00 1.25 0.00 0.12 0.46 119.26 123.52 1krw h ALA 24 Ca -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1krw h ALA 24 Cb 1.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1krw h ALA 24 CO 0.10 0.41 -0.17 0.78 0.00 0.00 0.00 179.25 180.37 1krw h GLY 25 N 0.86 0.00 2.00 0.00 0.00 -1.20 -0.62 103.07 104.10 1krw h GLY 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1krw h GLY 25 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1krw h ALA 26 N 1.83 1.00 0.00 3.60 0.00 -0.94 -3.47 119.26 121.28 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 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 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 0.92 1.26 3.35 0.00 0.00 -0.24 -5.10 105.19 105.38 1krw n GLY 27 Ca 0.04 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 2.52 -0.26 0.99 1.02 -1.18 -4.77 118.68 116.99 1krw s LEU 28 Ca 0.00 -1.06 -0.29 0.00 0.02 0.00 0.00 54.13 52.79 1krw s LEU 28 Cb 0.00 -0.60 -0.00 0.00 0.02 0.00 0.00 46.19 45.60 1krw s LEU 28 CO 0.00 -0.24 1.27 -0.89 0.02 0.00 0.00 176.35 176.51 1krw s THR 29 N -3.05 4.22 -0.33 5.49 2.01 0.48 -4.22 115.64 120.24 1krw s THR 29 Ca 0.24 1.42 -0.05 0.00 0.31 0.00 0.00 61.69 63.60 1krw s THR 29 Cb 0.01 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.44 1krw s THR 29 CO 0.07 -0.36 0.08 0.00 -0.69 0.00 0.00 174.62 173.73 1krw s THR 31 N 1.35 1.00 0.28 0.00 -1.32 -1.10 -4.87 115.64 110.97 1krw s THR 31 Ca -0.02 -0.52 0.10 0.00 -1.21 0.00 0.00 61.69 60.05 1krw s THR 31 Cb -0.20 -0.85 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 1krw s THR 31 CO 0.01 0.29 -0.06 0.42 -2.21 0.00 0.00 174.62 173.08 1krw s THR 32 N -0.12 3.08 0.30 5.08 -4.23 -1.25 -0.07 115.64 118.43 1krw s THR 32 Ca 0.02 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1krw s THR 32 Cb -0.07 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1krw s THR 32 CO 0.00 -0.36 0.15 -0.36 -0.54 0.00 0.00 174.62 173.51 1krw s PHE 33 N -2.40 1.58 0.00 3.99 0.40 0.83 -4.93 117.98 117.45 1krw s PHE 33 Ca 0.31 -1.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 1krw s PHE 33 Cb -0.05 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1krw s PHE 33 CO 0.18 -0.51 0.00 -0.85 0.70 0.00 0.00 175.22 174.74 1krw n GLU 34 N -0.56 0.00 0.00 0.44 0.28 -1.24 0.19 120.64 119.75 1krw n GLU 34 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1krw n GLU 34 Cb 0.65 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.52 1krw n GLU 34 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1krw n ASN 35 N 0.00 0.00 0.00 -1.84 4.13 -1.26 -1.50 115.26 114.79 1krw n ASN 35 Ca 0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1krw n ASN 35 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1krw n GLY 36 N 1.95 0.25 0.43 7.41 0.00 -1.26 -4.41 105.19 109.56 1krw n GLY 36 Ca 0.00 -0.16 0.25 0.00 0.00 0.00 0.00 46.02 46.11 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 0.01 0.71 1.61 -0.26 -1.95 -1.97 115.58 113.72 1krw h ASN 37 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1krw h ASN 37 Cb 0.00 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1krw h ASN 37 CO 0.00 0.00 -0.40 -0.08 -1.06 0.00 0.00 177.43 175.89 1krw h GLU 38 N 0.01 -0.99 -0.75 0.81 4.22 -1.96 -2.10 114.58 113.82 1krw h GLU 38 Ca 0.36 0.07 0.10 0.00 0.08 0.00 0.00 59.36 59.97 1krw h GLU 38 Cb 1.43 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.84 1krw h GLU 38 CO -0.01 -0.66 0.39 0.28 -2.18 0.00 0.00 179.01 176.83 1krw h VAL 39 N -1.03 0.85 -0.40 0.32 2.07 -1.74 -1.68 116.25 114.64 1krw h VAL 39 Ca -0.09 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1krw h VAL 39 Cb 0.82 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1krw h VAL 39 CO 0.11 0.12 -0.01 -0.07 0.02 0.00 0.00 177.57 177.74 1krw h LEU 40 N 0.65 -0.19 -0.17 2.57 3.38 -1.36 1.08 115.31 121.26 1krw h LEU 40 Ca 0.37 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.47 1krw h LEU 40 Cb 0.39 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1krw h LEU 40 CO -0.27 -0.06 -0.03 0.00 0.09 0.00 0.00 178.44 178.17 1krw h ALA 41 N 1.36 0.12 0.00 1.53 0.00 -0.62 -1.25 119.26 120.39 1krw h ALA 41 Ca 0.20 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1krw h ALA 41 Cb 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1krw h ALA 41 CO -0.34 -0.47 -0.31 0.00 0.00 0.00 0.00 179.25 178.13 1krw h ALA 42 N 1.17 1.29 0.00 0.00 0.00 -0.68 -2.60 119.26 118.44 1krw h ALA 42 Ca 0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1krw h ALA 42 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1krw h ALA 42 CO -0.17 0.39 -0.30 -0.07 0.00 0.00 0.00 179.25 179.10 1krw h LEU 43 N 0.00 0.00 -2.28 0.00 3.38 0.23 -2.69 115.31 113.95 1krw h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 43 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1krw h LEU 43 CO 0.04 0.30 0.24 0.00 0.09 0.00 0.00 178.44 179.11 1krw h ALA 44 N 1.70 1.26 0.00 1.53 0.00 -0.89 -1.44 119.26 121.42 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 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1krw h ALA 44 CO 0.04 -0.24 0.00 0.45 0.00 0.00 0.00 179.25 179.49 1krw n SER 45 N -2.96 0.70 -3.63 0.00 2.88 -1.10 -5.07 113.62 104.44 1krw n SER 45 Ca -0.02 -0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 56.41 1krw n SER 45 Cb 0.30 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.02 0.98 -0.15 -1.46 2.20 -0.54 -5.15 119.74 115.60 1krw s LYS 46 Ca 0.00 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1krw s LYS 46 Cb 0.00 0.44 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 1krw s LYS 46 CO 0.00 -0.35 0.07 0.99 -0.36 0.00 0.00 175.35 175.69 1krw s THR 47 N -2.70 0.07 0.69 3.43 2.01 -1.26 -4.03 115.64 113.84 1krw s THR 47 Ca -0.04 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1krw s THR 47 Cb -0.00 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1krw s THR 47 CO -0.04 -0.15 1.06 -2.16 -0.69 0.00 0.00 174.62 172.64 1krw s PRO 48 N 2.07 3.03 0.41 4.92 0.04 -1.26 -4.96 135.00 139.26 1krw s PRO 48 Ca 0.02 0.72 0.22 0.00 0.04 0.00 0.00 61.00 62.00 1krw s PRO 48 Cb -0.15 -2.02 0.72 0.00 0.04 0.00 0.00 34.50 33.09 1krw s PRO 48 CO -0.08 -0.97 1.74 -0.44 0.04 0.00 0.00 177.00 177.29 1krw h ASP 49 N -0.61 0.00 -5.36 6.66 3.32 0.37 -3.46 116.42 117.33 1krw h ASP 49 Ca -0.45 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1krw h ASP 49 Cb 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 1krw h ASP 49 CO 0.61 0.26 -0.41 0.54 -1.72 0.00 0.00 179.24 178.52 1krw s VAL 50 N -3.48 0.04 -0.19 -1.35 0.11 -1.16 -4.47 120.40 109.90 1krw s VAL 50 Ca 0.02 -1.62 -0.11 0.00 -2.93 0.00 0.00 61.98 57.34 1krw s VAL 50 Cb 0.09 -2.10 0.06 0.00 -1.53 0.00 0.00 36.38 32.90 1krw s VAL 50 CO 0.66 -0.20 0.45 -0.22 -3.33 0.00 0.00 175.10 172.47 1krw s LEU 51 N -3.04 -0.18 -0.15 2.54 2.96 -0.37 -2.53 118.68 117.92 1krw s LEU 51 Ca 0.24 0.98 -0.01 0.00 -0.22 0.00 0.00 54.13 55.13 1krw s LEU 51 Cb 0.04 1.52 -0.01 0.00 0.50 0.00 0.00 46.19 48.23 1krw s LEU 51 CO 0.05 -0.20 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.54 1krw s LEU 52 N 1.32 2.74 -0.14 -0.68 0.20 -0.71 0.23 118.68 121.64 1krw s LEU 52 Ca -0.09 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 1krw s LEU 52 Cb -0.07 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1krw s LEU 52 CO -0.12 0.13 0.03 -0.44 -0.29 0.00 0.00 176.35 175.65 1krw s SER 53 N 0.54 5.37 0.27 3.68 0.01 0.24 0.28 113.70 124.09 1krw s SER 53 Ca -0.08 0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.38 1krw s SER 53 Cb -0.16 -1.76 0.34 0.00 0.21 0.00 0.00 66.02 64.66 1krw s SER 53 CO 0.04 0.26 1.60 -2.24 0.41 0.00 0.00 173.24 173.31 1krw h ASP 54 N 6.02 0.00 -5.68 2.44 2.03 -0.17 -2.91 116.42 118.15 1krw h ASP 54 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1krw h ASP 54 Cb 1.19 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.64 1krw h ASP 54 CO 0.62 0.62 -0.82 0.00 -1.03 0.00 0.00 179.24 178.64 1krw n ILE 55 N -3.77 -6.53 -2.76 4.15 0.00 -1.26 -4.53 119.36 104.66 1krw n ILE 55 Ca -0.01 1.25 -0.09 0.00 0.00 0.00 0.00 62.75 63.89 1krw n ILE 55 Cb 0.63 -4.49 0.08 0.00 0.00 0.00 0.00 39.64 35.86 1krw n ILE 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1krw n ARG 56 N 1.85 1.06 -3.41 9.51 3.00 -1.23 -4.69 116.66 122.76 1krw n ARG 56 Ca -0.14 -2.09 -0.18 0.00 -0.00 0.00 0.00 57.85 55.43 1krw n ARG 56 Cb 0.30 -0.86 0.08 0.00 0.00 0.00 0.00 32.46 31.98 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1krw n MET 57 N 0.10 -6.67 0.00 -0.14 0.00 0.75 -4.92 117.12 106.24 1krw n MET 57 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 57.70 58.55 1krw n MET 57 Cb 0.74 -5.67 0.00 0.00 0.00 0.00 0.00 33.22 28.28 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 -4.22 0.00 -0.00 2.12 -0.04 -1.26 -4.71 135.00 126.89 1krw n PRO 58 Ca -0.18 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1krw n PRO 58 Cb 0.62 -0.97 -0.01 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.83 -0.04 2.74 0.55 0.00 -1.26 -4.89 105.19 103.12 1krw n GLY 59 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.59 0.83 0.00 1.61 0.00 -1.26 -4.93 117.12 111.77 1krw n MET 60 Ca -0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 57.70 55.92 1krw n MET 60 Cb 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 31.93 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 1.36 0.00 0.00 6.12 8.00 -1.26 -2.51 116.55 128.26 1krw n ASP 61 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1krw n ASP 61 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.17 0.20 0.44 0.00 -1.26 -0.18 105.19 105.56 1krw n GLY 62 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.99 4.07 -1.84 -2.94 115.31 113.59 1krw h LEU 63 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 1krw h LEU 63 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1krw h LEU 63 CO 0.00 0.26 0.44 0.00 -1.08 0.00 0.00 178.44 178.06 1krw h ALA 64 N 1.74 2.57 -0.97 1.53 0.00 -1.88 0.16 119.26 122.42 1krw h ALA 64 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1krw h ALA 64 Cb 0.92 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1krw h ALA 64 CO 0.03 -0.74 0.63 -0.07 0.00 0.00 0.00 179.25 179.10 1krw h LEU 65 N 0.00 1.04 -0.62 0.00 3.38 -1.85 -1.70 115.31 115.57 1krw h LEU 65 Ca 0.29 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1krw h LEU 65 Cb 1.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1krw h LEU 65 CO -0.00 0.71 0.23 -0.07 0.09 0.00 0.00 178.44 179.39 1krw h LEU 66 N 1.21 0.87 -0.86 1.67 3.38 -0.87 -0.97 115.31 119.74 1krw h LEU 66 Ca 0.39 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.31 1krw h LEU 66 Cb 0.02 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.46 1krw h LEU 66 CO -0.13 0.82 0.47 0.11 0.09 0.00 0.00 178.44 179.80 1krw h LYS 67 N 0.87 0.67 -0.14 1.13 1.57 -1.18 0.43 116.57 119.92 1krw h LYS 67 Ca 0.20 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1krw h LYS 67 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1krw h LYS 67 CO -0.01 0.44 -0.29 1.96 -0.57 0.00 0.00 179.45 180.98 1krw h GLN 68 N 0.69 0.44 -0.84 3.15 4.20 -1.10 -2.61 115.11 119.03 1krw h GLN 68 Ca 0.46 -0.29 0.10 0.00 0.06 0.00 0.00 58.65 58.98 1krw h GLN 68 Cb 0.60 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 1krw h GLN 68 CO -0.33 0.89 0.55 0.82 -0.67 0.00 0.00 178.83 180.09 1krw h ILE 69 N 0.05 0.96 0.00 2.54 2.04 -0.16 0.24 117.51 123.17 1krw h ILE 69 Ca 0.00 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1krw h ILE 69 Cb 0.88 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1krw h ILE 69 CO 0.06 0.15 -0.61 0.07 0.00 0.00 0.00 178.15 177.83 1krw h LYS 70 N 0.81 0.00 -0.05 2.37 5.09 -0.95 0.63 116.57 124.48 1krw h LYS 70 Ca 0.39 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 61.00 1krw h LYS 70 Cb 0.43 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 1krw h LYS 70 CO -0.16 0.61 -0.58 0.37 -2.09 0.00 0.00 179.45 177.60 1krw h GLN 71 N 0.00 0.16 0.00 0.07 -0.00 -0.59 -2.87 115.11 111.88 1krw h GLN 71 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1krw h GLN 71 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.70 1krw h GLN 71 CO 0.08 0.69 -0.32 0.54 0.00 0.00 0.00 178.83 179.81 1krw n ARG 72 N -3.88 0.26 -3.62 1.69 1.74 -0.64 -4.81 116.66 107.41 1krw n ARG 72 Ca -0.02 0.36 -0.27 0.00 -0.77 0.00 0.00 57.85 57.15 1krw n ARG 72 Cb 0.59 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.70 1krw n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1krw n HIS 73 N -3.57 2.37 -0.67 -1.55 1.44 0.21 -5.00 115.22 108.45 1krw n HIS 73 Ca -0.05 -4.04 -0.21 0.00 -2.01 0.00 0.00 57.72 51.42 1krw n HIS 73 Cb 0.17 -0.44 -0.02 0.00 0.12 0.00 0.00 29.99 29.82 1krw n HIS 73 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1krw n PRO 74 N 1.72 1.75 0.00 -1.40 -0.04 -1.08 -2.84 135.00 133.10 1krw n PRO 74 Ca 0.24 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1krw n PRO 74 Cb 0.40 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 4.55 0.00 -1.83 0.54 2.81 0.83 -4.59 117.12 119.43 1krw n MET 75 Ca 0.39 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.89 1krw n MET 75 Cb 0.13 -0.07 0.03 0.00 -0.71 0.00 0.00 33.22 32.61 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 -2.09 3.89 -0.34 4.03 2.96 -1.13 -4.45 118.68 121.55 1krw s LEU 76 Ca 0.00 2.74 -0.27 0.00 -0.22 0.00 0.00 54.13 56.38 1krw s LEU 76 Cb 0.00 -4.23 0.01 0.00 0.50 0.00 0.00 46.19 42.47 1krw s LEU 76 CO 0.00 -1.47 0.96 -2.16 -1.32 0.00 0.00 176.35 172.37 1krw s PRO 77 N -2.84 3.94 -0.11 0.98 0.04 -1.22 -3.82 135.00 131.97 1krw s PRO 77 Ca 0.70 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1krw s PRO 77 Cb -0.40 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1krw s PRO 77 CO 0.47 -0.90 0.18 0.08 0.04 0.00 0.00 177.00 176.88 1krw s VAL 78 N 3.48 5.43 -0.23 -0.36 1.01 -1.25 -1.24 120.40 127.24 1krw s VAL 78 Ca 0.40 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1krw s VAL 78 Cb -0.12 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1krw s VAL 78 CO 0.17 0.60 -0.11 -0.63 0.00 0.00 0.00 175.10 175.13 1krw s ILE 79 N -0.92 1.91 -0.14 2.22 1.09 0.14 -0.14 121.20 125.35 1krw s ILE 79 Ca 0.16 -1.33 -0.10 0.00 -1.10 0.00 0.00 60.65 58.27 1krw s ILE 79 Cb -0.13 -2.01 -0.05 0.00 -1.06 0.00 0.00 42.46 39.22 1krw s ILE 79 CO 0.05 0.06 0.20 -0.63 -0.10 0.00 0.00 174.94 174.53 1krw s ILE 80 N 1.25 5.38 -1.12 2.92 1.09 -1.11 0.82 121.20 130.42 1krw s ILE 80 Ca -0.05 0.36 0.26 0.00 -1.10 0.00 0.00 60.65 60.12 1krw s ILE 80 Cb -0.18 -3.51 0.12 0.00 -1.06 0.00 0.00 42.46 37.83 1krw s ILE 80 CO -0.07 0.51 1.59 1.15 -0.10 0.00 0.00 174.94 178.01 1krw n MET 81 N 2.81 0.13 -3.75 2.79 0.00 -1.10 -0.29 117.12 117.71 1krw n MET 81 Ca -0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 57.70 57.35 1krw n MET 81 Cb 0.53 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.14 1krw n MET 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1krw s THR 82 N -2.91 -0.01 -0.63 3.17 2.01 -1.24 -4.45 115.64 111.58 1krw s THR 82 Ca 0.14 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1krw s THR 82 Cb 0.18 -0.47 0.16 0.00 0.01 0.00 0.00 72.50 72.38 1krw s THR 82 CO 0.63 0.02 0.43 0.00 -0.69 0.00 0.00 174.62 175.00 1krw s ALA 83 N 0.54 3.35 1.00 7.40 0.00 -1.23 -4.80 121.76 128.03 1krw s ALA 83 Ca -0.03 -3.52 0.00 0.00 0.00 0.00 0.00 51.96 48.41 1krw s ALA 83 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1krw s ALA 83 CO -0.03 -2.07 0.00 0.72 0.00 0.00 0.00 175.76 174.38 1krw n HIS 84 N 2.34 -1.96 -2.59 0.00 8.25 -1.26 -4.83 115.22 115.17 1krw n HIS 84 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 1krw n HIS 84 Cb 0.36 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 1krw n HIS 84 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1krw s SER 85 N -1.63 6.83 0.00 0.41 0.15 -1.26 -3.94 113.70 114.25 1krw s SER 85 Ca 0.00 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.23 1krw s SER 85 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1krw s SER 85 CO 0.00 -1.17 0.09 -0.67 1.20 0.00 0.00 173.24 172.68 1krw n ASP 86 N 8.33 -0.08 0.08 5.45 2.03 -1.26 -5.00 116.55 126.10 1krw n ASP 86 Ca 0.48 -0.17 0.17 0.00 0.52 0.00 0.00 54.79 55.79 1krw n ASP 86 Cb 0.46 0.02 0.45 0.00 -0.72 0.00 0.00 41.12 41.34 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 0.00 0.00 -0.84 -2.67 7.12 -1.92 -1.63 115.31 115.37 1krw h LEU 87 Ca -0.04 0.00 0.20 0.00 0.13 0.00 0.00 57.88 58.17 1krw h LEU 87 Cb 0.50 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.51 1krw h LEU 87 CO -0.02 0.00 0.29 0.44 -0.13 0.00 0.00 178.44 179.02 1krw h ASP 88 N 0.00 0.16 1.19 1.25 3.32 -1.94 0.41 116.42 120.80 1krw h ASP 88 Ca 0.22 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 1krw h ASP 88 Cb 1.92 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.65 1krw h ASP 88 CO -0.00 -0.04 -0.15 0.00 -1.72 0.00 0.00 179.24 177.33 1krw h ALA 89 N 1.69 0.98 -0.43 3.45 0.00 -1.64 -3.06 119.26 120.24 1krw h ALA 89 Ca 0.51 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 1krw h ALA 89 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1krw h ALA 89 CO -0.55 0.19 -0.29 0.00 0.00 0.00 0.00 179.25 178.60 1krw h ALA 90 N 1.85 0.66 -1.00 0.00 0.00 -0.36 -3.03 119.26 117.37 1krw h ALA 90 Ca -0.00 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.62 1krw h ALA 90 Cb 0.78 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1krw h ALA 90 CO 0.02 0.67 0.63 0.28 0.00 0.00 0.00 179.25 180.85 1krw h VAL 91 N 0.80 0.89 0.00 0.00 2.07 -1.31 0.72 116.25 119.41 1krw h VAL 91 Ca 0.09 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1krw h VAL 91 Cb 0.88 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1krw h VAL 91 CO 0.08 0.18 0.00 0.77 0.02 0.00 0.00 177.57 178.61 1krw h SER 92 N 0.96 0.00 0.11 0.57 4.64 -1.64 -2.27 113.55 115.93 1krw h SER 92 Ca 0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 1krw h SER 92 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1krw h SER 92 CO -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 175.63 1krw h ALA 93 N 2.00 -0.15 -0.57 5.18 0.00 0.40 -2.56 119.26 123.56 1krw h ALA 93 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1krw h ALA 93 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1krw h ALA 93 CO 0.00 -0.19 0.38 1.88 0.00 0.00 0.00 179.25 181.32 1krw h TYR 94 N -0.95 0.43 0.00 0.00 0.05 -1.12 1.04 116.97 116.43 1krw h TYR 94 Ca -0.02 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 1krw h TYR 94 Cb 0.48 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1krw h TYR 94 CO 0.09 0.22 -0.69 -0.56 -1.05 0.00 0.00 178.16 176.17 1krw h GLN 95 N 0.42 0.00 -0.00 4.88 -0.00 -1.50 -2.98 115.11 115.93 1krw h GLN 95 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1krw h GLN 95 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 1krw h GLN 95 CO -0.07 0.69 -0.32 0.00 -0.00 0.00 0.00 178.83 179.13 1krw n GLN 96 N -3.56 0.13 0.00 0.06 -0.00 -0.05 -4.90 117.38 109.06 1krw n GLN 96 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 1krw n GLN 96 Cb 0.71 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.45 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1krw n GLY 97 N 1.47 1.15 3.54 2.61 0.00 0.03 -0.12 105.19 113.87 1krw n GLY 97 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw n ALA 98 N 0.00 -1.37 -0.08 4.61 0.00 0.34 -3.42 120.51 120.58 1krw n ALA 98 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1krw n ALA 98 Cb 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 1krw n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krw h PHE 99 N -1.14 0.00 0.00 0.00 3.57 -0.80 -3.42 116.94 115.15 1krw h PHE 99 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1krw h PHE 99 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1krw h PHE 99 CO 0.41 0.80 0.00 -0.25 -2.23 0.00 0.00 178.31 177.05 1krw n ASP 100 N -4.57 0.00 -4.12 0.41 9.92 -1.16 -5.02 116.55 112.00 1krw n ASP 100 Ca -0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.96 1krw n ASP 100 Cb 0.43 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.80 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1krw s TYR 101 N -3.00 0.87 -0.27 1.24 1.51 -1.26 -2.75 117.35 113.69 1krw s TYR 101 Ca 0.00 -0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 55.35 1krw s TYR 101 Cb 0.00 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1krw s TYR 101 CO 0.00 -0.06 0.14 -0.51 -1.11 0.00 0.00 175.55 174.01 1krw s LEU 102 N -2.10 3.82 0.00 -1.29 1.02 0.60 -4.96 118.68 115.78 1krw s LEU 102 Ca -0.01 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1krw s LEU 102 Cb -0.05 -2.04 0.00 0.00 0.02 0.00 0.00 46.19 44.12 1krw s LEU 102 CO -0.00 -0.06 0.74 -0.81 0.02 0.00 0.00 176.35 176.23 1krw n PRO 103 N 5.00 0.00 0.05 1.29 -0.04 -1.26 -3.52 135.00 136.53 1krw n PRO 103 Ca -0.15 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1krw n PRO 103 Cb 0.51 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1krw n PRO 103 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1krw n LYS 104 N -2.00 0.00 -0.79 0.54 4.01 -1.26 -4.65 118.16 114.00 1krw n LYS 104 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 1krw n LYS 104 Cb 0.00 -0.32 0.12 0.00 -0.51 0.00 0.00 35.03 34.32 1krw n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1krw n PRO 105 N -3.29 -0.65 0.00 1.97 -0.04 -1.26 -4.95 135.00 126.78 1krw n PRO 105 Ca 0.00 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1krw n PRO 105 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.72 0.00 -0.30 0.54 7.35 -1.26 -4.92 117.46 115.15 1krw n PHE 106 Ca 0.03 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.75 1krw n PHE 106 Cb 0.58 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.40 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 -1.37 -0.12 -2.13 5.68 -1.26 -2.07 116.55 115.28 1krw n ASP 107 Ca 0.00 0.10 -0.12 0.00 -0.50 0.00 0.00 54.79 54.28 1krw n ASP 107 Cb 0.00 -1.26 -0.03 0.00 -1.14 0.00 0.00 41.12 38.69 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 -0.35 1.28 -0.09 2.12 5.03 -1.97 -0.51 117.51 123.02 1krw h ILE 108 Ca 0.00 -1.22 0.03 0.00 -0.12 0.00 0.00 64.86 63.55 1krw h ILE 108 Cb 1.05 1.34 -0.06 0.00 -3.03 0.00 0.00 36.82 36.12 1krw h ILE 108 CO 0.00 0.40 -0.49 -0.78 -0.68 0.00 0.00 178.15 176.61 1krw h ASP 109 N 0.49 -1.52 0.71 1.72 3.58 -1.99 0.96 116.42 120.37 1krw h ASP 109 Ca 0.08 0.19 -0.16 0.00 0.42 0.00 0.00 57.03 57.56 1krw h ASP 109 Cb 0.65 0.60 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 1krw h ASP 109 CO 0.04 -0.47 -0.75 -0.33 -2.88 0.00 0.00 179.24 174.85 1krw h GLU 110 N -0.57 0.03 0.43 0.28 4.39 -1.51 -1.99 114.58 115.64 1krw h GLU 110 Ca 0.05 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1krw h GLU 110 Cb 0.67 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1krw h GLU 110 CO -0.40 0.76 -0.21 0.00 -1.16 0.00 0.00 179.01 178.00 1krw h ALA 111 N 1.23 -0.73 -0.49 3.43 0.00 -0.50 -0.69 119.26 121.52 1krw h ALA 111 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1krw h ALA 111 Cb 1.32 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1krw h ALA 111 CO 0.10 -0.68 0.34 0.28 0.00 0.00 0.00 179.25 179.28 1krw h VAL 112 N -0.90 0.83 -0.24 0.00 2.07 0.83 0.20 116.25 119.03 1krw h VAL 112 Ca -0.06 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1krw h VAL 112 Cb 0.45 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1krw h VAL 112 CO 0.10 0.03 0.07 0.00 0.02 0.00 0.00 177.57 177.78 1krw h ALA 113 N 1.76 0.32 0.00 1.67 0.00 -1.30 -1.34 119.26 120.36 1krw h ALA 113 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1krw h ALA 113 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1krw h ALA 113 CO -0.03 -0.04 -0.10 1.25 0.00 0.00 0.00 179.25 180.33 1krw h LEU 114 N 0.22 0.00 0.04 0.00 5.85 0.52 -2.90 115.31 119.05 1krw h LEU 114 Ca 0.08 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1krw h LEU 114 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1krw h LEU 114 CO -0.00 0.10 -0.29 1.62 -0.34 0.00 0.00 178.44 179.53 1krw h VAL 115 N 0.00 1.68 -0.59 1.05 3.04 -0.46 -3.14 116.25 117.83 1krw h VAL 115 Ca -0.00 -2.35 -0.05 0.00 -1.01 0.00 0.00 66.70 63.28 1krw h VAL 115 Cb 0.93 3.25 -0.02 0.00 -2.01 0.00 0.00 31.29 33.43 1krw h VAL 115 CO 0.01 0.63 0.16 -0.33 -1.01 0.00 0.00 177.57 177.04 1krw h GLU 116 N -0.74 0.94 0.00 4.17 5.08 -1.34 -2.05 114.58 120.65 1krw h GLU 116 Ca -0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1krw h GLU 116 Cb 1.20 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1krw h GLU 116 CO 0.05 0.86 -0.03 0.00 -1.00 0.00 0.00 179.01 178.89 1krw h ARG 117 N 0.85 0.00 -0.02 2.33 2.47 -1.64 0.73 114.38 119.10 1krw h ARG 117 Ca 0.19 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1krw h ARG 117 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1krw h ARG 117 CO -0.00 0.03 -0.04 0.00 0.56 0.00 0.00 179.97 180.52 1krw h ALA 118 N 1.97 0.03 -0.05 0.04 0.00 -1.32 -0.38 119.26 119.54 1krw h ALA 118 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1krw h ALA 118 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1krw h ALA 118 CO 0.00 -0.14 -0.55 0.82 0.00 0.00 0.00 179.25 179.38 1krw h ILE 119 N -0.52 1.38 -0.04 0.00 2.04 -1.26 -3.05 117.51 116.06 1krw h ILE 119 Ca -0.00 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 1krw h ILE 119 Cb 0.64 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1krw h ILE 119 CO 0.01 0.55 -0.07 -1.28 0.00 0.00 0.00 178.15 177.36 1krw h SER 120 N 0.11 0.14 -0.18 1.72 0.87 -0.90 -2.14 113.55 113.18 1krw h SER 120 Ca -0.00 -0.54 0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1krw h SER 120 Cb 1.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1krw h SER 120 CO 0.08 0.65 0.16 0.45 -0.53 0.00 0.00 176.83 177.65 1krw h HIS 121 N -0.37 0.00 0.00 2.24 3.86 -1.07 -2.79 115.15 117.02 1krw h HIS 121 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1krw h HIS 121 Cb 0.62 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1krw h HIS 121 CO 0.11 0.00 -0.03 1.88 0.86 0.00 0.00 177.93 180.75 1krw h TYR 122 N 0.00 0.00 -3.30 2.45 0.05 -1.46 -3.50 116.97 111.20 1krw h TYR 122 Ca 0.08 0.00 0.38 0.00 0.05 0.00 0.00 58.73 59.24 1krw h TYR 122 Cb 0.41 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.02 1krw h TYR 122 CO 0.00 0.44 -0.77 0.94 -1.05 0.00 0.00 178.16 177.71 1krw n GLN 123 N -4.70 -3.04 -0.52 4.88 7.27 -0.81 -5.13 117.38 115.33 1krw n GLN 123 Ca -0.05 2.19 0.00 0.00 0.07 0.00 0.00 57.00 59.21 1krw n GLN 123 Cb 0.21 -3.66 0.00 0.00 2.41 0.00 0.00 30.24 29.21 1krw n GLN 123 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52