#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 3.21 0.09 2.12 1.11 -1.26 -5.02 119.66 119.91 1krw s GLN 2 Ca 0.00 -0.35 -0.22 0.00 0.01 0.00 0.00 55.36 54.79 1krw s GLN 2 Cb 0.00 -2.97 -0.14 0.00 -1.01 0.00 0.00 33.01 28.89 1krw s GLN 2 CO 0.00 0.70 1.73 0.07 0.01 0.00 0.00 175.29 177.79 1krw h ARG 3 N 4.46 0.05 0.00 2.91 0.11 -2.06 -3.49 114.38 116.37 1krw h ARG 3 Ca -0.51 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1krw h ARG 3 Cb 1.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1krw h ARG 3 CO 0.61 0.06 0.00 0.41 0.10 0.00 0.00 179.97 181.14 1krw n GLY 4 N -1.05 1.06 2.97 0.08 0.00 -1.26 -4.62 105.19 102.38 1krw n GLY 4 Ca -0.06 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 1.58 -0.20 -0.61 -1.09 -1.26 -1.38 121.20 118.24 1krw s ILE 5 Ca 0.00 -1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 1krw s ILE 5 Cb 0.00 -1.73 -0.03 0.00 -1.58 0.00 0.00 42.46 39.12 1krw s ILE 5 CO 0.00 0.06 0.03 0.54 -1.23 0.00 0.00 174.94 174.35 1krw s VAL 6 N 1.40 4.30 -0.17 2.92 0.11 0.19 -0.59 120.40 128.56 1krw s VAL 6 Ca -0.03 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1krw s VAL 6 Cb -0.17 -2.95 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1krw s VAL 6 CO -0.07 0.42 -0.16 0.26 -3.33 0.00 0.00 175.10 172.22 1krw s TRP 7 N 0.92 2.79 -0.05 1.54 0.52 -1.12 -2.33 118.94 121.20 1krw s TRP 7 Ca 0.02 -1.21 0.05 0.00 0.02 0.00 0.00 56.10 54.99 1krw s TRP 7 Cb -0.14 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 1krw s TRP 7 CO 0.02 -0.58 -0.20 0.08 0.02 0.00 0.00 176.95 176.30 1krw s VAL 8 N 1.01 2.57 -0.30 4.03 1.01 0.19 0.08 120.40 128.99 1krw s VAL 8 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1krw s VAL 8 Cb -0.15 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.34 1krw s VAL 8 CO -0.04 0.58 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1krw s VAL 9 N -0.45 2.08 -0.42 2.92 1.01 0.33 -1.04 120.40 124.83 1krw s VAL 9 Ca 0.05 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.15 1krw s VAL 9 Cb -0.12 -2.38 0.24 0.00 0.00 0.00 0.00 36.38 34.13 1krw s VAL 9 CO 0.01 -0.33 1.02 -0.67 0.00 0.00 0.00 175.10 175.14 1krw n ASP 10 N 4.40 -2.22 0.00 3.32 -0.08 -1.07 -1.15 116.55 119.75 1krw n ASP 10 Ca -0.05 -2.42 0.00 0.00 -1.51 0.00 0.00 54.79 50.81 1krw n ASP 10 Cb 0.42 1.29 0.00 0.00 2.34 0.00 0.00 41.12 45.17 1krw n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krw n ASP 11 N 1.88 -1.40 0.00 1.67 -0.08 0.20 -4.24 116.55 114.58 1krw n ASP 11 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1krw n ASP 11 Cb 0.65 -2.24 0.00 0.00 2.34 0.00 0.00 41.12 41.87 1krw n ASP 11 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1krw n ASP 12 N -0.21 0.00 0.00 1.67 5.68 -0.78 -4.45 116.55 118.46 1krw n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1krw n ASP 12 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1krw n SER 13 N -3.67 0.00 0.10 -1.12 2.88 -1.26 -0.91 113.62 109.64 1krw n SER 13 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1krw n SER 13 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.58 0.10 -3.46 0.87 -1.91 0.13 113.55 108.70 1krw h SER 14 Ca 0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1krw h SER 14 Cb 0.00 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1krw h SER 14 CO 0.00 -0.25 -0.00 0.40 -0.53 0.00 0.00 176.83 176.44 1krw h ILE 15 N -0.37 0.05 0.42 2.23 1.08 -1.20 -2.68 117.51 117.03 1krw h ILE 15 Ca -0.02 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1krw h ILE 15 Cb 0.34 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1krw h ILE 15 CO -0.05 0.00 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.12 1krw h ARG 16 N 0.00 -0.54 -0.89 2.37 2.43 -0.89 -2.33 114.38 114.53 1krw h ARG 16 Ca -0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1krw h ARG 16 Cb 0.05 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1krw h ARG 16 CO 0.00 -0.26 0.58 2.35 -1.51 0.00 0.00 179.97 181.13 1krw h TRP 17 N -1.05 1.10 -0.43 2.20 7.01 -0.54 0.45 115.95 124.68 1krw h TRP 17 Ca -0.06 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.88 1krw h TRP 17 Cb 0.52 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1krw h TRP 17 CO 0.02 0.67 -0.08 0.28 -2.79 0.00 0.00 178.44 176.54 1krw h VAL 18 N 1.17 1.27 0.00 2.65 2.07 -1.58 -3.02 116.25 118.82 1krw h VAL 18 Ca 0.34 -1.17 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 1krw h VAL 18 Cb -0.08 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1krw h VAL 18 CO -0.09 0.40 -1.01 -0.07 0.02 0.00 0.00 177.57 176.82 1krw h LEU 19 N 0.65 0.00 0.56 2.57 3.38 -1.22 -3.33 115.31 117.91 1krw h LEU 19 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1krw h LEU 19 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1krw h LEU 19 CO 0.04 0.69 -0.27 1.05 0.09 0.00 0.00 178.44 180.04 1krw h GLU 20 N 0.00 -0.72 -0.27 1.13 4.11 -0.13 -2.85 114.58 115.85 1krw h GLU 20 Ca -0.08 0.05 0.07 0.00 0.07 0.00 0.00 59.36 59.46 1krw h GLU 20 Cb 1.60 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.93 1krw h GLU 20 CO 0.07 -0.43 -0.26 0.00 0.07 0.00 0.00 179.01 178.46 1krw h ARG 21 N -1.12 -0.25 -0.28 1.06 2.47 -1.71 0.91 114.38 115.45 1krw h ARG 21 Ca -0.08 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.72 1krw h ARG 21 Cb 0.62 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 1krw h ARG 21 CO 0.13 -0.17 -0.09 0.00 0.56 0.00 0.00 179.97 180.40 1krw h ALA 22 N 0.77 0.16 -0.02 0.04 0.00 -1.67 0.36 119.26 118.90 1krw h ALA 22 Ca 0.14 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1krw h ALA 22 Cb 0.49 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1krw h ALA 22 CO -0.42 -0.48 -0.50 1.25 0.00 0.00 0.00 179.25 179.10 1krw h LEU 23 N -0.02 0.06 -1.14 0.00 7.12 -1.20 -2.31 115.31 117.83 1krw h LEU 23 Ca 0.14 -0.03 -0.08 0.00 0.13 0.00 0.00 57.88 58.04 1krw h LEU 23 Cb 0.23 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1krw h LEU 23 CO -0.30 0.55 -0.27 0.00 -0.13 0.00 0.00 178.44 178.29 1krw h ALA 24 N 1.45 1.28 0.00 1.25 0.00 0.21 -1.16 119.26 122.28 1krw h ALA 24 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1krw h ALA 24 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1krw h ALA 24 CO 0.07 0.49 -0.10 0.78 0.00 0.00 0.00 179.25 180.48 1krw h GLY 25 N 1.00 0.00 2.00 0.00 0.00 0.24 0.75 103.07 107.07 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1krw h ALA 26 N 1.90 1.00 0.00 3.60 0.00 -1.15 -3.47 119.26 121.13 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 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 0.85 1.35 3.45 0.00 0.00 0.26 -5.11 105.19 105.99 1krw n GLY 27 Ca 0.04 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 2.48 -0.04 0.99 1.02 -1.19 -4.86 118.68 117.07 1krw s LEU 28 Ca 0.00 -1.23 -0.30 0.00 0.02 0.00 0.00 54.13 52.62 1krw s LEU 28 Cb 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 1krw s LEU 28 CO 0.00 -0.38 1.21 -0.89 0.02 0.00 0.00 176.35 176.31 1krw s THR 29 N -3.01 4.20 -0.23 5.49 2.01 -0.48 -4.25 115.64 119.38 1krw s THR 29 Ca 0.31 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.86 1krw s THR 29 Cb 0.05 -3.99 0.06 0.00 0.01 0.00 0.00 72.50 68.62 1krw s THR 29 CO 0.13 0.02 -0.06 0.00 -0.69 0.00 0.00 174.62 174.02 1krw s THR 31 N 1.41 1.67 0.22 0.00 -1.32 -0.98 -4.85 115.64 111.77 1krw s THR 31 Ca -0.05 -1.51 0.07 0.00 -1.21 0.00 0.00 61.69 58.99 1krw s THR 31 Cb -0.19 -1.52 -0.05 0.00 -1.51 0.00 0.00 72.50 69.24 1krw s THR 31 CO -0.06 -0.06 -0.11 0.42 -2.21 0.00 0.00 174.62 172.60 1krw s THR 32 N -1.15 1.64 0.30 5.08 -4.23 -1.25 -0.64 115.64 115.38 1krw s THR 32 Ca 0.06 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 1krw s THR 32 Cb -0.10 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1krw s THR 32 CO 0.04 -0.53 0.14 -0.36 -0.54 0.00 0.00 174.62 173.38 1krw s PHE 33 N -3.03 1.59 0.00 3.99 0.40 -0.21 -4.88 117.98 115.84 1krw s PHE 33 Ca 0.24 -1.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.25 1krw s PHE 33 Cb 0.01 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.66 1krw s PHE 33 CO 0.08 -0.47 0.00 -0.85 0.70 0.00 0.00 175.22 174.68 1krw n GLU 34 N -0.56 0.00 0.00 0.44 0.28 -1.26 -1.87 120.64 117.67 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 -1.71 -0.16 0.00 0.00 177.13 175.26 1krw n ASN 35 N 0.00 0.00 0.00 -1.84 4.05 -1.26 0.59 115.26 116.80 1krw n ASN 35 Ca 0.00 0.24 0.00 0.00 0.45 0.00 0.00 54.58 55.27 1krw n ASN 35 Cb 0.00 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 40.58 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1krw n GLY 36 N 1.88 0.13 0.32 8.20 0.00 -1.26 -4.25 105.19 110.21 1krw n GLY 36 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.27 0.40 1.61 -0.26 -1.96 -2.79 115.58 112.85 1krw h ASN 37 Ca 0.00 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1krw h ASN 37 Cb 0.00 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 1krw h ASN 37 CO 0.00 0.19 -0.42 -0.08 -1.06 0.00 0.00 177.43 176.05 1krw h GLU 38 N 0.32 -0.80 -1.00 0.81 4.81 -1.96 -1.67 114.58 115.09 1krw h GLU 38 Ca 0.16 0.05 0.27 0.00 -0.13 0.00 0.00 59.36 59.71 1krw h GLU 38 Cb 0.23 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1krw h GLU 38 CO -0.03 -0.53 0.69 0.28 -0.73 0.00 0.00 179.01 178.68 1krw h VAL 39 N -0.83 0.54 -0.57 0.32 2.07 -1.88 0.23 116.25 116.13 1krw h VAL 39 Ca -0.05 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1krw h VAL 39 Cb 0.72 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1krw h VAL 39 CO -0.07 0.03 0.34 -0.07 0.02 0.00 0.00 177.57 177.82 1krw h LEU 40 N 0.17 0.54 -0.06 2.57 3.38 -1.23 1.53 115.31 122.21 1krw h LEU 40 Ca 0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1krw h LEU 40 Cb 1.68 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1krw h LEU 40 CO -0.11 0.38 0.04 0.00 0.09 0.00 0.00 178.44 178.84 1krw h ALA 41 N 1.26 0.08 -0.09 1.53 0.00 -0.20 -1.39 119.26 120.44 1krw h ALA 41 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1krw h ALA 41 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1krw h ALA 41 CO -0.11 -0.42 -0.34 0.00 0.00 0.00 0.00 179.25 178.38 1krw h ALA 42 N 1.01 1.25 0.00 0.00 0.00 -1.15 -2.28 119.26 118.09 1krw h ALA 42 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1krw h ALA 42 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1krw h ALA 42 CO -0.00 0.52 -0.11 -0.07 0.00 0.00 0.00 179.25 179.58 1krw h LEU 43 N 0.16 0.00 -2.52 0.00 3.38 0.29 -0.87 115.31 115.75 1krw h LEU 43 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1krw h LEU 43 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1krw h LEU 43 CO 0.05 0.11 0.04 0.00 0.09 0.00 0.00 178.44 178.73 1krw h ALA 44 N 1.89 1.47 0.00 1.53 0.00 -0.66 -2.64 119.26 120.86 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1krw h ALA 44 CO 0.01 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1krw n SER 45 N -3.68 1.10 -3.94 0.00 7.64 -0.74 -5.08 113.62 108.92 1krw n SER 45 Ca -0.02 -1.53 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 1krw n SER 45 Cb 0.12 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.53 0.95 -0.17 1.43 2.47 -0.41 -5.12 119.74 118.36 1krw s LYS 46 Ca 0.00 -1.10 -0.04 0.00 -1.56 0.00 0.00 55.97 53.26 1krw s LYS 46 Cb 0.00 0.34 0.06 0.00 -1.46 0.00 0.00 37.83 36.76 1krw s LYS 46 CO 0.00 -0.31 0.08 0.99 0.16 0.00 0.00 175.35 176.26 1krw s THR 47 N -3.92 0.03 0.39 3.43 2.01 -1.26 -4.38 115.64 111.94 1krw s THR 47 Ca 0.11 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 1krw s THR 47 Cb 0.05 -0.64 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 1krw s THR 47 CO -0.06 -0.24 0.92 -2.16 -0.69 0.00 0.00 174.62 172.39 1krw s PRO 48 N 2.09 4.30 0.22 4.92 0.04 -1.26 -4.98 135.00 140.33 1krw s PRO 48 Ca 0.02 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.26 1krw s PRO 48 Cb -0.16 -2.38 0.17 0.00 0.04 0.00 0.00 34.50 32.17 1krw s PRO 48 CO -0.09 0.08 1.50 -0.44 0.04 0.00 0.00 177.00 178.09 1krw h ASP 49 N 2.31 0.07 -1.85 6.66 5.19 -1.24 -3.42 116.42 124.15 1krw h ASP 49 Ca -0.48 -0.05 -0.30 0.00 -0.62 0.00 0.00 57.03 55.58 1krw h ASP 49 Cb 1.18 -0.02 -0.30 0.00 0.18 0.00 0.00 39.33 40.37 1krw h ASP 49 CO 0.62 0.78 -0.62 0.54 -3.12 0.00 0.00 179.24 177.44 1krw s VAL 50 N -3.38 -0.47 0.14 -1.35 0.11 -1.14 -4.68 120.40 109.62 1krw s VAL 50 Ca -0.01 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.16 1krw s VAL 50 Cb 0.12 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 1krw s VAL 50 CO 0.79 -0.45 0.67 -0.22 -3.33 0.00 0.00 175.10 172.56 1krw s LEU 51 N 1.87 4.51 -0.21 2.54 2.96 -0.25 -2.80 118.68 127.31 1krw s LEU 51 Ca 0.14 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1krw s LEU 51 Cb -0.13 -3.18 0.04 0.00 0.50 0.00 0.00 46.19 43.42 1krw s LEU 51 CO -0.15 0.20 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.73 1krw s LEU 52 N -1.32 2.56 -0.02 -0.68 0.20 0.11 -0.48 118.68 119.06 1krw s LEU 52 Ca 0.34 -0.97 0.01 0.00 0.69 0.00 0.00 54.13 54.20 1krw s LEU 52 Cb -0.20 -1.38 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1krw s LEU 52 CO 0.22 -0.12 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.61 1krw s SER 53 N 1.29 5.13 0.92 3.68 0.15 0.12 0.12 113.70 125.11 1krw s SER 53 Ca -0.02 0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 1krw s SER 53 Cb -0.16 -1.36 0.16 0.00 -1.71 0.00 0.00 66.02 62.94 1krw s SER 53 CO -0.09 0.30 0.98 -0.90 1.20 0.00 0.00 173.24 174.74 1krw n ASP 54 N 1.57 0.32 -3.49 5.45 5.68 -0.30 -2.83 116.55 122.96 1krw n ASP 54 Ca -0.15 -1.50 -0.11 0.00 -0.50 0.00 0.00 54.79 52.52 1krw n ASP 54 Cb 0.53 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 1krw n ASP 54 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1krw s ILE 55 N -3.06 0.01 -0.12 2.12 2.07 -1.26 -4.47 121.20 116.50 1krw s ILE 55 Ca 0.57 -0.16 -0.00 0.00 -1.41 0.00 0.00 60.65 59.65 1krw s ILE 55 Cb -0.02 -1.11 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 1krw s ILE 55 CO 0.40 -0.04 0.10 -1.14 -1.91 0.00 0.00 174.94 172.34 1krw n ARG 56 N -0.37 -0.57 0.10 3.50 0.00 0.58 -4.83 116.66 115.06 1krw n ARG 56 Ca -0.16 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1krw n ARG 56 Cb 0.64 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 30.44 1krw n ARG 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1krw n MET 57 N -1.38 0.00 0.00 -0.14 2.81 -0.80 -5.03 117.12 112.57 1krw n MET 57 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1krw n MET 57 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 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 -2.85 0.15 0.00 0.03 -0.04 -1.14 -4.87 135.00 126.29 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 1.36 -1.63 2.47 0.55 0.00 -1.26 -3.28 105.19 103.40 1krw n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.01 2.04 0.00 1.61 0.00 -1.26 -4.77 117.12 114.73 1krw n MET 60 Ca 0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 57.70 56.38 1krw n MET 60 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 33.22 30.90 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 3.74 0.00 0.00 6.12 9.92 -1.21 -1.90 116.55 133.22 1krw n ASP 61 Ca 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1krw n ASP 61 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 0.00 0.00 0.28 0.44 0.00 -1.26 -0.31 105.19 104.34 1krw n GLY 62 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.98 0.99 4.07 -1.64 -2.31 115.31 114.44 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 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1krw h LEU 63 CO 0.00 0.07 0.37 0.00 -1.08 0.00 0.00 178.44 177.80 1krw h ALA 64 N 1.93 2.46 -0.29 1.53 0.00 -1.86 0.59 119.26 123.62 1krw h ALA 64 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1krw h ALA 64 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1krw h ALA 64 CO 0.01 -0.60 0.01 -0.07 0.00 0.00 0.00 179.25 178.59 1krw h LEU 65 N 0.02 0.50 -0.75 0.00 -0.00 -1.73 -2.93 115.31 110.42 1krw h LEU 65 Ca 0.24 -0.30 0.14 0.00 -0.00 0.00 0.00 57.88 57.96 1krw h LEU 65 Cb 0.95 -0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.39 1krw h LEU 65 CO -0.01 0.68 0.31 -0.07 -0.00 0.00 0.00 178.44 179.36 1krw h LEU 66 N 0.31 0.31 -0.66 1.67 3.38 -1.03 0.16 115.31 119.46 1krw h LEU 66 Ca 0.08 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1krw h LEU 66 Cb 0.42 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1krw h LEU 66 CO 0.01 0.13 0.32 0.50 0.09 0.00 0.00 178.44 179.49 1krw h LYS 67 N 0.47 0.55 -0.21 1.13 3.64 -1.33 0.12 116.57 120.94 1krw h LYS 67 Ca 0.41 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1krw h LYS 67 Cb 0.60 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1krw h LYS 67 CO -0.39 0.36 -0.29 1.96 -2.27 0.00 0.00 179.45 178.83 1krw h GLN 68 N 0.57 0.56 -0.60 1.90 1.08 -0.93 -2.68 115.11 115.00 1krw h GLN 68 Ca 0.32 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1krw h GLN 68 Cb 0.31 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1krw h GLN 68 CO -0.25 0.93 0.36 0.82 -0.95 0.00 0.00 178.83 179.73 1krw h ILE 69 N 0.23 1.17 0.00 2.54 2.04 -0.25 -1.78 117.51 121.47 1krw h ILE 69 Ca 0.02 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1krw h ILE 69 Cb 0.86 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1krw h ILE 69 CO 0.07 0.18 -0.46 0.07 0.00 0.00 0.00 178.15 178.01 1krw h LYS 70 N 0.82 0.00 -0.62 2.37 2.10 -0.76 0.35 116.57 120.83 1krw h LYS 70 Ca 0.22 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.79 1krw h LYS 70 Cb -0.03 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.28 1krw h LYS 70 CO -0.04 0.46 0.09 1.96 -2.00 0.00 0.00 179.45 179.91 1krw h GLN 71 N 0.00 1.03 0.00 0.07 4.20 -0.97 -3.06 115.11 116.38 1krw h GLN 71 Ca -0.00 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 1krw h GLN 71 Cb 1.01 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1krw h GLN 71 CO 0.06 0.95 -1.71 0.54 -0.67 0.00 0.00 178.83 178.00 1krw n ARG 72 N -4.21 0.64 -3.54 1.46 1.74 -1.14 -4.80 116.66 106.80 1krw n ARG 72 Ca 0.04 0.07 -0.28 0.00 -0.77 0.00 0.00 57.85 56.91 1krw n ARG 72 Cb 0.29 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 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 -3.01 0.25 -1.85 -1.55 3.76 0.12 -5.00 115.29 108.00 1krw s HIS 73 Ca -0.05 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1krw s HIS 73 Cb 0.09 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1krw s HIS 73 CO 0.84 -0.79 0.79 -0.35 -0.85 0.00 0.00 174.74 174.38 1krw n PRO 74 N 5.26 0.85 -0.15 8.40 -0.04 -1.17 -3.24 135.00 144.92 1krw n PRO 74 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1krw n PRO 74 Cb 0.43 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.42 0.00 -2.42 0.54 2.81 -0.89 -4.40 117.12 112.36 1krw n MET 75 Ca 0.00 -0.40 -0.43 0.00 -1.81 0.00 0.00 57.70 55.06 1krw n MET 75 Cb 0.03 -0.31 -0.02 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.00 3.62 0.15 4.03 1.98 -1.20 -4.78 118.68 122.48 1krw s LEU 76 Ca 0.00 0.78 -0.31 0.00 -2.89 0.00 0.00 54.13 51.70 1krw s LEU 76 Cb 0.00 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.20 1krw s LEU 76 CO 0.00 -1.36 1.67 -2.84 -1.89 0.00 0.00 176.35 171.93 1krw s PRO 77 N 4.76 4.17 0.13 0.98 0.02 -1.24 -4.32 135.00 139.50 1krw s PRO 77 Ca 0.58 2.47 0.08 0.00 0.02 0.00 0.00 61.00 64.15 1krw s PRO 77 Cb -0.12 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 1krw s PRO 77 CO 0.32 -0.71 -0.19 0.08 -0.33 0.00 0.00 177.00 176.16 1krw s VAL 78 N 1.72 1.76 -0.17 3.83 1.01 -1.25 -1.09 120.40 126.22 1krw s VAL 78 Ca 0.74 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1krw s VAL 78 Cb -0.45 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1krw s VAL 78 CO 0.33 -0.19 0.02 -0.63 0.00 0.00 0.00 175.10 174.63 1krw s ILE 79 N -1.62 0.56 -0.05 2.22 1.01 0.37 0.11 121.20 123.80 1krw s ILE 79 Ca 0.11 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1krw s ILE 79 Cb -0.08 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1krw s ILE 79 CO 0.05 -0.10 0.35 -0.63 0.00 0.00 0.00 174.94 174.61 1krw s ILE 80 N 1.85 5.16 0.32 2.92 -1.09 -1.15 0.12 121.20 129.33 1krw s ILE 80 Ca 0.00 0.69 0.09 0.00 -2.23 0.00 0.00 60.65 59.20 1krw s ILE 80 Cb -0.16 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.13 1krw s ILE 80 CO -0.07 0.55 1.75 0.00 -1.23 0.00 0.00 174.94 175.93 1krw h MET 81 N 5.15 0.14 -3.51 2.79 -0.00 -1.81 -2.19 114.93 115.50 1krw h MET 81 Ca -0.50 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.70 59.02 1krw h MET 81 Cb 1.21 -0.00 -0.18 0.00 -0.00 0.00 0.00 31.60 32.63 1krw h MET 81 CO 0.64 0.52 -0.39 0.99 -0.00 0.00 0.00 176.91 178.67 1krw s THR 82 N -4.15 0.10 -0.15 -0.10 2.01 -1.25 -3.88 115.64 108.21 1krw s THR 82 Ca -0.04 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.22 1krw s THR 82 Cb 0.14 -0.84 -0.16 0.00 0.01 0.00 0.00 72.50 71.65 1krw s THR 82 CO 0.75 -0.46 -0.02 0.00 -0.69 0.00 0.00 174.62 174.21 1krw n ALA 83 N 0.81 1.64 -0.29 7.40 0.00 -1.25 -4.79 120.51 124.02 1krw n ALA 83 Ca -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1krw n ALA 83 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1krw n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1krw n HIS 84 N -2.67 -0.96 -2.55 0.00 8.25 -1.26 -3.67 115.22 112.36 1krw n HIS 84 Ca -0.25 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.78 1krw n HIS 84 Cb 0.92 0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1krw n HIS 84 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1krw n SER 85 N -3.71 4.90 -0.45 0.41 7.64 -1.26 -3.93 113.62 117.23 1krw n SER 85 Ca 0.00 -2.92 -0.00 0.00 1.01 0.00 0.00 58.87 56.96 1krw n SER 85 Cb 0.00 -1.74 -0.00 0.00 -1.01 0.00 0.00 64.21 61.46 1krw n SER 85 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1krw n ASP 86 N 8.20 -0.03 0.29 6.43 9.92 -1.24 -5.00 116.55 135.11 1krw n ASP 86 Ca 0.49 -0.07 0.12 0.00 -0.53 0.00 0.00 54.79 54.80 1krw n ASP 86 Cb 0.46 0.01 0.58 0.00 -0.64 0.00 0.00 41.12 41.53 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 0.00 0.00 -0.42 0.64 -0.00 -1.74 -2.62 115.31 111.16 1krw h LEU 87 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 1krw h LEU 87 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.03 1krw h LEU 87 CO -0.01 0.00 -0.35 0.44 -0.00 0.00 0.00 178.44 178.52 1krw h ASP 88 N 0.00 -1.17 0.99 -0.43 5.19 -1.94 0.25 116.42 119.31 1krw h ASP 88 Ca 0.04 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1krw h ASP 88 Cb 1.16 0.54 -0.00 0.00 0.18 0.00 0.00 39.33 41.21 1krw h ASP 88 CO -0.00 -0.33 -0.08 0.00 -3.12 0.00 0.00 179.24 175.71 1krw h ALA 89 N 0.71 1.02 -0.32 3.45 0.00 -1.84 -2.98 119.26 119.30 1krw h ALA 89 Ca 0.17 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1krw h ALA 89 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1krw h ALA 89 CO -0.56 0.10 -0.30 0.00 0.00 0.00 0.00 179.25 178.48 1krw h ALA 90 N 1.92 0.46 -0.33 0.00 0.00 -0.71 -2.20 119.26 118.40 1krw h ALA 90 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1krw h ALA 90 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1krw h ALA 90 CO 0.01 0.50 0.17 0.28 0.00 0.00 0.00 179.25 180.21 1krw h VAL 91 N 0.53 1.15 0.00 0.00 2.07 -0.79 -1.21 116.25 117.99 1krw h VAL 91 Ca 0.05 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1krw h VAL 91 Cb 0.88 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1krw h VAL 91 CO 0.08 0.16 -0.05 0.28 0.02 0.00 0.00 177.57 178.05 1krw h SER 92 N 0.40 0.00 -0.57 0.57 0.02 -1.55 -1.62 113.55 110.81 1krw h SER 92 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1krw h SER 92 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1krw h SER 92 CO -0.02 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1krw h ALA 93 N 1.95 0.89 0.00 3.77 0.00 -0.56 -1.57 119.26 123.74 1krw h ALA 93 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1krw h ALA 93 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1krw h ALA 93 CO 0.01 0.66 -0.13 1.88 0.00 0.00 0.00 179.25 181.66 1krw h TYR 94 N 0.94 0.00 -0.24 0.00 0.05 -0.98 0.86 116.97 117.60 1krw h TYR 94 Ca 0.17 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 1krw h TYR 94 Cb 0.54 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 1krw h TYR 94 CO 0.04 0.13 -0.20 0.37 -1.05 0.00 0.00 178.16 177.45 1krw h GLN 95 N 0.00 0.55 0.00 4.88 -0.00 -1.07 -2.88 115.11 116.59 1krw h GLN 95 Ca -0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1krw h GLN 95 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.08 1krw h GLN 95 CO 0.02 0.86 0.00 -0.56 0.00 0.00 0.00 178.83 179.14 1krw h GLN 96 N 0.25 0.00 0.00 1.69 3.07 -1.20 -3.46 115.11 115.46 1krw h GLN 96 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1krw h GLN 96 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1krw h GLN 96 CO 0.05 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.38 1krw n GLY 97 N 0.68 1.28 3.61 0.06 0.00 -0.85 -2.09 105.19 107.88 1krw n GLY 97 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.05 -0.02 4.61 0.00 0.29 -3.67 120.51 121.68 1krw n ALA 98 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1krw n ALA 98 Cb 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.26 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 0.15 -0.07 0.00 0.00 3.57 0.49 -3.42 116.94 117.66 1krw h PHE 99 Ca -0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1krw h PHE 99 Cb 1.35 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1krw h PHE 99 CO 0.38 0.51 0.00 -3.47 -2.23 0.00 0.00 178.31 173.50 1krw n ASP 100 N -4.76 0.00 -4.15 0.41 2.03 -1.14 -5.01 116.55 103.92 1krw n ASP 100 Ca -0.07 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.09 1krw n ASP 100 Cb 0.30 0.00 -0.11 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 0.99 -0.28 -0.67 1.51 -1.26 -2.95 117.35 111.69 1krw s TYR 101 Ca 0.00 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.37 1krw s TYR 101 Cb 0.00 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 1krw s TYR 101 CO 0.00 -0.02 0.14 -0.51 -1.11 0.00 0.00 175.55 174.05 1krw s LEU 102 N -2.15 3.85 0.00 -1.29 1.02 -0.82 -4.99 118.68 114.30 1krw s LEU 102 Ca 0.01 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1krw s LEU 102 Cb -0.05 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1krw s LEU 102 CO 0.00 -0.09 0.27 -0.81 0.02 0.00 0.00 176.35 175.74 1krw n PRO 103 N 4.99 0.00 -0.02 1.29 -0.04 -1.26 -3.86 135.00 136.10 1krw n PRO 103 Ca -0.15 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1krw n PRO 103 Cb 0.51 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.56 0.23 -1.32 0.54 4.81 -1.26 -4.86 118.16 114.75 1krw n LYS 104 Ca 0.00 0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 57.18 1krw n LYS 104 Cb 0.00 -0.91 0.08 0.00 0.02 0.00 0.00 35.03 34.22 1krw n LYS 104 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1krw n PRO 105 N -3.84 0.42 0.00 1.64 -0.02 -1.26 -4.95 135.00 126.99 1krw n PRO 105 Ca -0.10 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1krw n PRO 105 Cb 0.31 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1krw n PHE 106 N -2.47 0.00 -0.27 6.00 7.35 -1.26 -4.88 117.46 121.94 1krw n PHE 106 Ca 0.12 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.83 1krw n PHE 106 Cb 0.50 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.32 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 -0.12 -2.13 5.68 -1.26 -2.00 116.55 115.58 1krw n ASP 107 Ca 0.00 0.09 -0.12 0.00 -0.50 0.00 0.00 54.79 54.26 1krw n ASP 107 Cb 0.00 -1.17 -0.03 0.00 -1.14 0.00 0.00 41.12 38.79 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 -0.33 1.28 -0.17 2.12 5.03 -1.96 0.62 117.51 124.10 1krw h ILE 108 Ca 0.00 -1.21 0.04 0.00 -0.12 0.00 0.00 64.86 63.58 1krw h ILE 108 Cb 1.05 1.32 -0.07 0.00 -3.03 0.00 0.00 36.82 36.09 1krw h ILE 108 CO 0.00 0.40 -0.47 0.44 -0.68 0.00 0.00 178.15 177.84 1krw h ASP 109 N 0.50 -1.49 0.59 1.72 5.19 -1.98 1.11 116.42 122.06 1krw h ASP 109 Ca 0.09 0.19 -0.21 0.00 -0.62 0.00 0.00 57.03 56.47 1krw h ASP 109 Cb 0.64 0.60 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1krw h ASP 109 CO 0.04 -0.44 -0.95 -0.33 -3.12 0.00 0.00 179.24 174.44 1krw h GLU 110 N -0.50 0.22 0.73 3.56 4.39 -1.51 -1.85 114.58 119.61 1krw h GLU 110 Ca 0.07 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1krw h GLU 110 Cb 0.64 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1krw h GLU 110 CO -0.44 1.02 -0.35 0.00 -1.16 0.00 0.00 179.01 178.08 1krw h ALA 111 N 0.88 -0.97 -0.19 3.43 0.00 -0.23 -0.18 119.26 121.99 1krw h ALA 111 Ca -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1krw h ALA 111 Cb 1.61 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1krw h ALA 111 CO 0.15 -0.94 0.09 0.28 0.00 0.00 0.00 179.25 178.83 1krw h VAL 112 N -1.20 1.07 -0.33 0.00 2.07 0.12 0.59 116.25 118.57 1krw h VAL 112 Ca -0.10 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1krw h VAL 112 Cb 0.77 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1krw h VAL 112 CO 0.16 0.08 0.16 0.00 0.02 0.00 0.00 177.57 177.99 1krw h ALA 113 N 1.84 0.43 0.00 1.67 0.00 -1.18 -1.41 119.26 120.61 1krw h ALA 113 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1krw h ALA 113 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1krw h ALA 113 CO -0.01 -0.00 -0.09 1.25 0.00 0.00 0.00 179.25 180.40 1krw h LEU 114 N 0.40 0.00 0.13 0.00 5.85 -0.18 -3.06 115.31 118.45 1krw h LEU 114 Ca 0.11 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.54 1krw h LEU 114 Cb 0.13 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.18 1krw h LEU 114 CO -0.01 0.09 -1.29 1.62 -0.34 0.00 0.00 178.44 178.51 1krw h VAL 115 N 0.00 1.36 -0.40 1.05 3.04 -0.49 -3.14 116.25 117.67 1krw h VAL 115 Ca -0.00 -2.71 -0.14 0.00 -1.01 0.00 0.00 66.70 62.84 1krw h VAL 115 Cb 0.87 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.99 1krw h VAL 115 CO 0.01 0.81 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.76 1krw h GLU 116 N 0.17 0.87 0.00 4.17 5.08 -1.30 -2.77 114.58 120.80 1krw h GLU 116 Ca -0.18 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1krw h GLU 116 Cb 1.98 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 1krw h GLU 116 CO 0.23 1.04 -0.13 0.00 -1.00 0.00 0.00 179.01 179.15 1krw h ARG 117 N 0.73 0.00 -0.22 2.33 2.47 -1.62 -2.60 114.38 115.47 1krw h ARG 117 Ca 0.08 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 1krw h ARG 117 Cb 0.84 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1krw h ARG 117 CO 0.07 0.13 -0.19 0.00 0.56 0.00 0.00 179.97 180.55 1krw h ALA 118 N 1.87 0.32 -0.16 0.04 0.00 -1.44 -0.38 119.26 119.51 1krw h ALA 118 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1krw h ALA 118 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1krw h ALA 118 CO 0.02 0.25 -0.04 0.82 0.00 0.00 0.00 179.25 180.29 1krw h ILE 119 N 0.22 1.13 -0.00 0.00 2.04 -1.41 0.73 117.51 120.22 1krw h ILE 119 Ca 0.04 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1krw h ILE 119 Cb 0.73 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1krw h ILE 119 CO 0.05 0.18 -0.04 -1.28 0.00 0.00 0.00 178.15 177.05 1krw h SER 120 N 0.23 0.04 0.25 1.72 0.87 -1.35 -2.93 113.55 112.38 1krw h SER 120 Ca 0.05 -0.75 -0.04 0.00 -1.23 0.00 0.00 61.79 59.82 1krw h SER 120 Cb 0.23 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1krw h SER 120 CO 0.01 0.79 -0.20 0.45 -0.53 0.00 0.00 176.83 177.35 1krw h HIS 121 N -0.70 0.00 0.46 2.24 3.86 -0.85 -3.12 115.15 117.03 1krw h HIS 121 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1krw h HIS 121 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1krw h HIS 121 CO 0.19 0.20 -0.22 -0.92 0.86 0.00 0.00 177.93 178.03 1krw h TYR 122 N 0.00 -0.57 -4.36 2.45 3.20 -0.90 -3.45 116.97 113.34 1krw h TYR 122 Ca -0.00 -0.01 -0.46 0.00 3.14 0.00 0.00 58.73 61.39 1krw h TYR 122 Cb 0.37 0.19 0.12 0.00 1.54 0.00 0.00 36.73 38.96 1krw h TYR 122 CO 0.00 -0.25 0.37 -0.65 -1.64 0.00 0.00 178.16 175.99 1krw s GLN 123 N -4.43 1.36 0.00 1.82 1.11 -1.11 -5.10 119.66 113.31 1krw s GLN 123 Ca -0.13 0.07 0.00 0.00 0.01 0.00 0.00 55.36 55.31 1krw s GLN 123 Cb 0.02 -1.88 0.00 0.00 -1.01 0.00 0.00 33.01 30.13 1krw s GLN 123 CO 0.46 -2.00 0.00 -1.91 0.01 0.00 0.00 175.29 171.85