#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 4.22 0.04 0.03 -0.21 -1.26 -4.98 119.66 117.51 1krw s GLN 2 Ca 0.00 0.99 0.15 0.00 0.02 0.00 0.00 55.36 56.52 1krw s GLN 2 Cb 0.00 -2.44 -0.15 0.00 1.00 0.00 0.00 33.01 31.41 1krw s GLN 2 CO 0.00 0.13 0.82 -0.09 -2.12 0.00 0.00 175.29 174.03 1krw h ARG 3 N 2.40 0.00 -5.65 2.91 2.43 -2.04 -3.50 114.38 110.93 1krw h ARG 3 Ca -0.48 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 1krw h ARG 3 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1krw h ARG 3 CO 0.63 0.37 -0.81 0.41 -1.51 0.00 0.00 179.97 179.07 1krw n GLY 4 N 1.43 -1.43 3.32 2.80 0.00 -1.26 -4.43 105.19 105.62 1krw n GLY 4 Ca -0.11 0.98 -0.38 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.02 3.96 -0.22 -0.61 1.09 -1.26 -0.97 121.20 121.17 1krw s ILE 5 Ca 0.21 -0.89 -0.06 0.00 -1.10 0.00 0.00 60.65 58.81 1krw s ILE 5 Cb -0.04 -3.14 -0.03 0.00 -1.06 0.00 0.00 42.46 38.19 1krw s ILE 5 CO 0.73 -0.06 0.04 0.54 -0.10 0.00 0.00 174.94 176.10 1krw s VAL 6 N 1.47 4.25 -0.07 2.92 0.11 0.18 0.57 120.40 129.83 1krw s VAL 6 Ca 0.01 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1krw s VAL 6 Cb -0.18 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1krw s VAL 6 CO 0.03 0.39 -0.15 0.26 -3.33 0.00 0.00 175.10 172.30 1krw s TRP 7 N 1.18 2.71 0.00 1.54 0.52 -1.06 -2.61 118.94 121.23 1krw s TRP 7 Ca 0.04 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.88 1krw s TRP 7 Cb -0.14 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1krw s TRP 7 CO 0.03 0.05 -0.14 0.08 0.02 0.00 0.00 176.95 176.99 1krw s VAL 8 N -0.40 1.08 -0.31 4.03 1.01 -0.20 -0.15 120.40 125.47 1krw s VAL 8 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1krw s VAL 8 Cb -0.12 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.41 1krw s VAL 8 CO 0.02 0.23 -0.02 -0.69 0.00 0.00 0.00 175.10 174.64 1krw s VAL 9 N -0.45 2.31 -0.30 2.92 1.01 0.51 -0.95 120.40 125.45 1krw s VAL 9 Ca 0.04 -1.98 -0.14 0.00 0.00 0.00 0.00 61.98 59.90 1krw s VAL 9 Cb -0.06 -2.54 0.18 0.00 0.00 0.00 0.00 36.38 33.96 1krw s VAL 9 CO -0.00 -0.33 1.04 -0.62 0.00 0.00 0.00 175.10 175.19 1krw s ASP 10 N 1.04 -0.48 0.00 3.32 -1.08 -0.87 -1.61 116.67 116.99 1krw s ASP 10 Ca 0.01 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1krw s ASP 10 Cb -0.20 1.47 0.00 0.00 -1.46 0.00 0.00 42.92 42.73 1krw s ASP 10 CO -0.06 -0.09 0.00 -0.67 0.52 0.00 0.00 175.17 174.87 1krw n ASP 11 N 5.17 0.00 0.00 -0.34 -0.08 -0.89 -4.17 116.55 116.24 1krw n ASP 11 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1krw n ASP 11 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krw n ASP 12 N 1.60 0.00 -0.33 1.67 2.03 -1.25 -4.00 116.55 116.27 1krw n ASP 12 Ca 0.00 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 1krw n ASP 12 Cb 0.00 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 40.80 1krw n ASP 12 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1krw h SER 13 N 0.00 -0.07 0.23 1.67 0.02 -1.94 1.25 113.55 114.71 1krw h SER 13 Ca 0.00 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1krw h SER 13 Cb 0.00 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1krw h SER 13 CO 0.00 -0.34 -0.40 0.28 -1.14 0.00 0.00 176.83 175.23 1krw h SER 14 N 0.06 -1.15 1.23 3.07 0.02 -1.93 0.63 113.55 115.47 1krw h SER 14 Ca 0.69 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.74 1krw h SER 14 Cb 1.58 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 64.53 1krw h SER 14 CO -0.81 -0.47 -0.00 0.40 -1.14 0.00 0.00 176.83 174.81 1krw h ILE 15 N -0.67 0.01 -0.02 3.27 1.08 -1.29 -2.69 117.51 117.20 1krw h ILE 15 Ca -0.03 -0.63 -0.14 0.00 -0.39 0.00 0.00 64.86 63.68 1krw h ILE 15 Cb 0.63 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 1krw h ILE 15 CO -0.14 0.00 -0.62 -0.09 -0.69 0.00 0.00 178.15 176.61 1krw h ARG 16 N 0.00 0.08 0.32 2.37 1.12 0.24 -2.88 114.38 115.64 1krw h ARG 16 Ca -0.00 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1krw h ARG 16 Cb 0.62 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1krw h ARG 16 CO 0.00 0.68 -0.15 2.35 -3.11 0.00 0.00 179.97 179.73 1krw h TRP 17 N 0.06 -0.40 0.76 2.20 7.01 0.58 -2.99 115.95 123.17 1krw h TRP 17 Ca -0.01 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1krw h TRP 17 Cb 1.11 0.13 0.01 0.00 -2.10 0.00 0.00 29.16 28.32 1krw h TRP 17 CO 0.01 -0.13 -0.37 0.28 -2.79 0.00 0.00 178.44 175.44 1krw h VAL 18 N -1.04 0.00 -0.02 2.65 2.07 -1.63 -2.55 116.25 115.73 1krw h VAL 18 Ca -0.04 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1krw h VAL 18 Cb 0.45 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1krw h VAL 18 CO 0.07 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.90 1krw h LEU 19 N -1.05 0.05 0.54 2.57 7.12 -1.71 -3.18 115.31 119.65 1krw h LEU 19 Ca -0.10 -0.44 -0.03 0.00 0.13 0.00 0.00 57.88 57.44 1krw h LEU 19 Cb 0.79 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1krw h LEU 19 CO 0.17 0.48 -0.26 -0.33 -0.13 0.00 0.00 178.44 178.37 1krw h GLU 20 N -0.38 -0.70 -0.82 1.25 4.39 -1.66 -1.38 114.58 115.28 1krw h GLU 20 Ca 0.00 0.05 0.19 0.00 0.34 0.00 0.00 59.36 59.94 1krw h GLU 20 Cb 0.46 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 29.15 1krw h GLU 20 CO 0.00 -0.47 0.28 0.00 -1.16 0.00 0.00 179.01 177.67 1krw h ARG 21 N -1.07 0.33 0.00 2.33 2.47 -1.36 1.52 114.38 118.60 1krw h ARG 21 Ca -0.07 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 1krw h ARG 21 Cb 0.56 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1krw h ARG 21 CO 0.12 0.22 -0.57 0.00 0.56 0.00 0.00 179.97 180.30 1krw h ALA 22 N 1.66 0.92 0.00 0.04 0.00 -1.63 -2.85 119.26 117.40 1krw h ALA 22 Ca 0.49 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 22 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1krw h ALA 22 CO -0.52 0.71 -0.42 1.25 0.00 0.00 0.00 179.25 180.27 1krw h LEU 23 N 0.00 0.00 -0.73 0.00 5.85 0.10 -3.16 115.31 117.37 1krw h LEU 23 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1krw h LEU 23 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1krw h LEU 23 CO 0.07 0.34 -0.40 0.00 -0.34 0.00 0.00 178.44 178.11 1krw h ALA 24 N 1.66 0.91 0.00 1.25 0.00 0.21 -2.02 119.26 121.27 1krw h ALA 24 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1krw h ALA 24 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1krw h ALA 24 CO 0.04 0.63 -0.03 0.78 0.00 0.00 0.00 179.25 180.67 1krw h GLY 25 N 1.09 0.00 2.00 0.00 0.00 -1.48 0.12 103.07 104.80 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1krw h ALA 26 N 1.97 1.00 0.00 3.60 0.00 -1.45 -3.47 119.26 120.91 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1krw h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1krw n GLY 27 N 0.97 1.40 3.61 0.00 0.00 0.42 -5.11 105.19 106.48 1krw n GLY 27 Ca 0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 2.90 -0.59 0.99 1.02 -1.19 -4.89 118.68 116.93 1krw s LEU 28 Ca 0.00 -1.13 -0.25 0.00 0.02 0.00 0.00 54.13 52.77 1krw s LEU 28 Cb 0.00 -1.17 0.04 0.00 0.02 0.00 0.00 46.19 45.08 1krw s LEU 28 CO 0.00 -0.30 1.02 -0.89 0.02 0.00 0.00 176.35 176.21 1krw s THR 29 N -2.59 4.25 -0.37 5.49 2.01 -0.14 -4.44 115.64 119.85 1krw s THR 29 Ca 0.35 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 1krw s THR 29 Cb 0.03 -4.63 0.04 0.00 0.01 0.00 0.00 72.50 67.95 1krw s THR 29 CO 0.19 -1.27 0.18 0.00 -0.69 0.00 0.00 174.62 173.03 1krw s THR 31 N 1.49 1.74 0.30 0.00 -1.32 -1.07 -4.88 115.64 111.90 1krw s THR 31 Ca 0.01 -1.71 0.08 0.00 -1.21 0.00 0.00 61.69 58.86 1krw s THR 31 Cb -0.20 -1.68 -0.06 0.00 -1.51 0.00 0.00 72.50 69.05 1krw s THR 31 CO 0.05 -0.19 -0.09 0.42 -2.21 0.00 0.00 174.62 172.60 1krw s THR 32 N -1.59 1.97 0.28 5.08 -4.23 -1.25 -1.03 115.64 114.87 1krw s THR 32 Ca 0.11 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1krw s THR 32 Cb -0.08 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1krw s THR 32 CO 0.05 -0.28 0.14 -0.36 -0.54 0.00 0.00 174.62 173.63 1krw s PHE 33 N -2.80 1.54 0.05 3.99 0.40 -0.13 -4.93 117.98 116.10 1krw s PHE 33 Ca 0.30 -1.33 -0.25 0.00 -0.60 0.00 0.00 56.93 55.06 1krw s PHE 33 Cb 0.02 -0.84 -0.17 0.00 0.51 0.00 0.00 43.02 42.55 1krw s PHE 33 CO 0.14 -0.49 1.56 1.05 0.70 0.00 0.00 175.22 178.17 1krw h GLU 34 N 2.29 -0.10 0.00 0.44 4.11 -1.89 -2.30 114.58 117.13 1krw h GLU 34 Ca -0.35 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1krw h GLU 34 Cb 1.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1krw h GLU 34 CO 0.54 0.08 0.00 0.09 0.07 0.00 0.00 179.01 179.79 1krw n ASN 35 N -5.06 0.00 0.00 3.06 3.02 -1.26 -2.09 115.26 112.93 1krw n ASN 35 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1krw n ASN 35 Cb 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.17 -1.37 0.43 7.41 0.00 -1.26 -4.00 105.19 106.23 1krw n GLY 36 Ca 0.00 0.52 0.24 0.00 0.00 0.00 0.00 46.02 46.78 1krw n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krw h ASN 37 N 0.00 0.00 0.74 1.61 -0.00 -1.97 -1.71 115.58 114.24 1krw h ASN 37 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1krw h ASN 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1krw h ASN 37 CO 0.00 0.00 -0.42 -0.08 -0.00 0.00 0.00 177.43 176.93 1krw h GLU 38 N 0.00 -1.04 -0.99 6.67 4.57 -1.97 -2.56 114.58 119.26 1krw h GLU 38 Ca 0.32 0.07 0.21 0.00 -1.18 0.00 0.00 59.36 58.78 1krw h GLU 38 Cb 1.42 0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 30.15 1krw h GLU 38 CO -0.00 -0.69 0.62 0.28 -1.18 0.00 0.00 179.01 178.04 1krw h VAL 39 N -1.08 0.65 -0.74 0.32 2.07 -1.71 -0.32 116.25 115.45 1krw h VAL 39 Ca -0.10 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1krw h VAL 39 Cb 0.85 -0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1krw h VAL 39 CO 0.12 0.11 0.36 -0.07 0.02 0.00 0.00 177.57 178.11 1krw h LEU 40 N 0.60 0.44 -0.05 2.57 3.38 -1.37 1.13 115.31 122.02 1krw h LEU 40 Ca 0.56 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.59 1krw h LEU 40 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1krw h LEU 40 CO -0.33 0.23 -0.03 0.00 0.09 0.00 0.00 178.44 178.41 1krw h ALA 41 N 1.47 0.07 -0.28 1.53 0.00 -0.87 -3.08 119.26 118.09 1krw h ALA 41 Ca 0.38 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1krw h ALA 41 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1krw h ALA 41 CO -0.30 -0.18 -0.26 0.00 0.00 0.00 0.00 179.25 178.51 1krw h ALA 42 N 0.58 1.03 0.00 0.00 0.00 -1.05 -2.63 119.26 117.19 1krw h ALA 42 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1krw h ALA 42 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1krw h ALA 42 CO 0.01 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 1krw h LEU 43 N 0.48 0.00 -2.53 0.00 3.38 0.13 -1.14 115.31 115.62 1krw h LEU 43 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1krw h LEU 43 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1krw h LEU 43 CO 0.05 0.01 0.15 0.00 0.09 0.00 0.00 178.44 178.74 1krw h ALA 44 N 1.99 1.20 0.00 1.53 0.00 -1.38 -1.34 119.26 121.26 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1krw h ALA 44 CO 0.00 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.52 1krw n SER 45 N -3.06 1.24 -3.48 0.00 7.64 -0.46 -5.07 113.62 110.43 1krw n SER 45 Ca -0.02 -1.39 -0.10 0.00 1.01 0.00 0.00 58.87 58.36 1krw n SER 45 Cb 0.21 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.39 0.97 -0.15 1.43 2.20 -0.51 -5.15 119.74 118.15 1krw s LYS 46 Ca 0.00 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1krw s LYS 46 Cb 0.00 0.45 0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1krw s LYS 46 CO 0.00 -0.42 0.06 0.99 -0.36 0.00 0.00 175.35 175.63 1krw s THR 47 N -3.13 0.10 0.63 3.43 2.01 -1.26 -4.10 115.64 113.33 1krw s THR 47 Ca 0.02 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 1krw s THR 47 Cb -0.01 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1krw s THR 47 CO -0.09 -0.16 1.07 -2.16 -0.69 0.00 0.00 174.62 172.59 1krw s PRO 48 N 2.06 3.11 0.37 4.92 0.04 -1.26 -4.96 135.00 139.27 1krw s PRO 48 Ca 0.02 1.17 0.20 0.00 0.04 0.00 0.00 61.00 62.43 1krw s PRO 48 Cb -0.15 -2.00 0.33 0.00 0.04 0.00 0.00 34.50 32.71 1krw s PRO 48 CO -0.08 -0.98 1.57 -0.44 0.04 0.00 0.00 177.00 177.12 1krw h ASP 49 N 0.04 0.00 -1.81 6.66 3.32 -0.26 -3.42 116.42 120.95 1krw h ASP 49 Ca -0.46 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.33 1krw h ASP 49 Cb 1.22 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 1krw h ASP 49 CO 0.56 0.27 -0.59 0.54 -1.72 0.00 0.00 179.24 178.30 1krw s VAL 50 N -3.17 -0.53 0.22 -1.35 0.11 -1.15 -4.80 120.40 109.73 1krw s VAL 50 Ca 0.04 -0.51 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 1krw s VAL 50 Cb 0.07 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 34.01 1krw s VAL 50 CO 0.70 -0.38 0.67 -0.22 -3.33 0.00 0.00 175.10 172.54 1krw s LEU 51 N 2.15 4.29 -0.16 2.54 2.96 0.17 -2.55 118.68 128.07 1krw s LEU 51 Ca 0.12 1.29 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1krw s LEU 51 Cb -0.13 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1krw s LEU 51 CO -0.22 0.00 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.58 1krw s LEU 52 N -2.18 1.40 0.03 -0.68 0.20 0.79 0.72 118.68 118.95 1krw s LEU 52 Ca 0.44 -0.65 0.06 0.00 0.69 0.00 0.00 54.13 54.67 1krw s LEU 52 Cb -0.15 -0.77 -0.03 0.00 -0.43 0.00 0.00 46.19 44.81 1krw s LEU 52 CO 0.20 -0.22 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.32 1krw s SER 53 N 1.73 3.92 0.72 3.68 0.15 0.15 0.19 113.70 124.24 1krw s SER 53 Ca 0.00 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 1krw s SER 53 Cb -0.16 -0.69 0.05 0.00 -1.71 0.00 0.00 66.02 63.51 1krw s SER 53 CO -0.07 0.27 1.06 -0.62 1.20 0.00 0.00 173.24 175.07 1krw s ASP 54 N -1.37 4.94 -0.37 5.45 2.15 -0.63 -2.95 116.67 123.89 1krw s ASP 54 Ca 0.15 0.69 0.02 0.00 0.43 0.00 0.00 52.55 53.84 1krw s ASP 54 Cb -0.11 -1.37 0.15 0.00 -0.30 0.00 0.00 42.92 41.29 1krw s ASP 54 CO 0.05 -1.57 0.29 -0.51 -0.17 0.00 0.00 175.17 173.27 1krw s ILE 55 N -3.32 0.03 -0.28 4.11 2.07 -1.26 -4.82 121.20 117.71 1krw s ILE 55 Ca 0.59 -1.71 0.08 0.00 -1.41 0.00 0.00 60.65 58.20 1krw s ILE 55 Cb -0.11 -1.00 0.45 0.00 0.13 0.00 0.00 42.46 41.94 1krw s ILE 55 CO 0.47 -0.91 1.26 -2.11 -1.91 0.00 0.00 174.94 171.74 1krw n ARG 56 N 3.80 2.83 -3.20 3.50 1.85 -1.25 -4.80 116.66 119.39 1krw n ARG 56 Ca 0.16 -3.80 -0.15 0.00 -1.00 0.00 0.00 57.85 53.06 1krw n ARG 56 Cb 0.42 -2.05 0.07 0.00 -1.05 0.00 0.00 32.46 29.85 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1krw n MET 57 N -0.88 -5.55 0.00 2.89 0.00 0.76 -4.99 117.12 109.36 1krw n MET 57 Ca 0.37 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.72 1krw n MET 57 Cb 0.88 -5.12 0.00 0.00 0.00 0.00 0.00 33.22 28.97 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 -3.65 0.00 0.00 2.12 -0.04 -1.24 -4.67 135.00 127.52 1krw n PRO 58 Ca -0.14 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1krw n PRO 58 Cb 0.60 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.13 0.15 2.43 0.55 0.00 -1.26 -4.80 105.19 102.13 1krw n GLY 59 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 4.10 0.00 1.61 0.00 -1.26 -4.78 117.12 116.27 1krw n MET 60 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 57.70 54.71 1krw n MET 60 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 33.22 30.62 1krw n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krw n ASP 61 N 2.06 0.00 0.00 6.12 9.92 -1.26 -1.95 116.55 131.43 1krw n ASP 61 Ca 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1krw n ASP 61 Cb 0.30 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 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 0.21 0.20 0.44 0.00 -1.26 -0.17 105.19 104.60 1krw n GLY 62 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.01 0.99 4.07 -1.68 -2.94 115.31 113.75 1krw h LEU 63 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.12 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 0.00 0.43 0.00 -1.08 0.00 0.00 178.44 177.79 1krw h ALA 64 N 2.16 2.48 0.00 1.53 0.00 -1.91 0.36 119.26 123.88 1krw h ALA 64 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1krw h ALA 64 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1krw h ALA 64 CO 0.00 -0.72 -0.14 -0.07 0.00 0.00 0.00 179.25 178.32 1krw h LEU 65 N 0.00 0.00 0.04 0.00 -0.00 -1.85 -2.79 115.31 110.71 1krw h LEU 65 Ca 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.04 1krw h LEU 65 Cb 1.12 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1krw h LEU 65 CO -0.00 0.14 -0.44 -0.07 -0.00 0.00 0.00 178.44 178.08 1krw h LEU 66 N 0.00 0.31 -0.64 1.67 3.38 -0.50 -2.38 115.31 117.16 1krw h LEU 66 Ca -0.00 -0.86 0.12 0.00 0.09 0.00 0.00 57.88 57.23 1krw h LEU 66 Cb 0.45 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 1krw h LEU 66 CO 0.02 1.14 -0.25 0.11 0.09 0.00 0.00 178.44 179.55 1krw h LYS 67 N -0.48 -0.08 -0.11 1.13 1.57 -1.34 0.64 116.57 117.90 1krw h LYS 67 Ca -0.07 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1krw h LYS 67 Cb 1.25 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1krw h LYS 67 CO 0.08 -0.05 0.03 1.96 -0.57 0.00 0.00 179.45 180.90 1krw h GLN 68 N -0.08 0.18 -0.96 3.15 7.50 -1.61 -1.30 115.11 121.99 1krw h GLN 68 Ca 0.28 -0.04 0.12 0.00 0.50 0.00 0.00 58.65 59.51 1krw h GLN 68 Cb 0.53 -0.02 -0.08 0.00 0.05 0.00 0.00 27.48 27.95 1krw h GLN 68 CO -0.69 0.34 0.61 0.82 -1.50 0.00 0.00 178.83 178.41 1krw h ILE 69 N -0.02 0.91 0.01 2.54 1.08 -0.52 -0.05 117.51 121.46 1krw h ILE 69 Ca 0.04 -0.31 -0.20 0.00 -0.39 0.00 0.00 64.86 64.00 1krw h ILE 69 Cb 0.24 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 1krw h ILE 69 CO -0.00 0.17 -0.93 0.07 -0.69 0.00 0.00 178.15 176.77 1krw h LYS 70 N 0.91 0.04 -0.03 2.37 2.10 0.35 -0.94 116.57 121.37 1krw h LYS 70 Ca 0.47 -0.05 -0.23 0.00 -2.00 0.00 0.00 60.65 58.84 1krw h LYS 70 Cb 0.53 0.02 0.02 0.00 -0.90 0.00 0.00 32.23 31.89 1krw h LYS 70 CO -0.24 0.94 -0.90 0.37 -2.00 0.00 0.00 179.45 177.62 1krw h GLN 71 N 0.02 0.66 0.06 0.07 -0.00 -0.22 -3.38 115.11 112.32 1krw h GLN 71 Ca -0.02 -0.67 -0.25 0.00 -0.00 0.00 0.00 58.65 57.71 1krw h GLN 71 Cb 1.63 0.18 -0.02 0.00 0.00 0.00 0.00 27.48 29.27 1krw h GLN 71 CO 0.13 1.27 -1.33 0.00 0.00 0.00 0.00 178.83 178.89 1krw h ARG 72 N 0.32 0.12 -5.90 1.69 3.08 -1.15 -3.47 114.38 109.08 1krw h ARG 72 Ca -0.10 -0.21 -0.66 0.00 0.07 0.00 0.00 59.98 59.07 1krw h ARG 72 Cb 1.56 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 31.58 1krw h ARG 72 CO 0.18 1.10 -0.56 -1.01 -1.07 0.00 0.00 179.97 178.61 1krw s HIS 73 N -2.42 3.35 0.00 3.04 0.09 -0.36 -5.06 115.29 113.92 1krw s HIS 73 Ca -0.24 0.29 0.00 0.00 -0.00 0.00 0.00 55.06 55.11 1krw s HIS 73 Cb 0.05 -1.80 0.00 0.00 -0.00 0.00 0.00 32.58 30.82 1krw s HIS 73 CO 0.69 0.58 0.94 -2.30 -0.00 0.00 0.00 174.74 174.65 1krw n PRO 74 N 1.59 0.00 -2.71 8.40 -0.02 -1.26 -4.07 135.00 136.92 1krw n PRO 74 Ca -0.16 0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1krw n PRO 74 Cb 0.53 -1.44 0.04 0.00 -0.02 0.00 0.00 33.50 32.61 1krw n PRO 74 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1krw n MET 75 N -2.14 1.31 -1.59 -0.52 2.81 -1.25 -4.43 117.12 111.31 1krw n MET 75 Ca 0.00 -3.30 -0.44 0.00 -1.81 0.00 0.00 57.70 52.15 1krw n MET 75 Cb 0.00 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 1krw n MET 75 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1krw n LEU 76 N -0.23 3.20 -4.64 4.03 -0.00 -1.26 -4.27 117.00 113.84 1krw n LEU 76 Ca 0.08 0.23 -0.42 0.00 -0.00 0.00 0.00 56.01 55.90 1krw n LEU 76 Cb 0.81 -1.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.67 1krw n LEU 76 CO 0.21 -0.68 1.59 -2.84 -0.00 0.00 0.00 177.39 175.67 1krw s PRO 77 N 6.32 3.82 0.16 1.96 0.02 -1.26 -3.36 135.00 142.67 1krw s PRO 77 Ca 1.01 2.22 0.11 0.00 0.02 0.00 0.00 61.00 64.36 1krw s PRO 77 Cb -0.37 -4.17 -0.04 0.00 0.02 0.00 0.00 34.50 29.94 1krw s PRO 77 CO 0.36 -1.30 -0.22 0.08 -0.33 0.00 0.00 177.00 175.60 1krw s VAL 78 N 5.51 2.53 -0.16 3.83 1.01 -1.24 0.42 120.40 132.31 1krw s VAL 78 Ca 0.86 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1krw s VAL 78 Cb -0.35 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1krw s VAL 78 CO 0.36 -0.03 -0.01 -0.63 0.00 0.00 0.00 175.10 174.79 1krw s ILE 79 N -1.43 0.76 0.00 2.22 1.01 0.22 0.86 121.20 124.85 1krw s ILE 79 Ca 0.19 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 1krw s ILE 79 Cb -0.09 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1krw s ILE 79 CO 0.10 0.03 0.33 -0.63 0.00 0.00 0.00 174.94 174.77 1krw s ILE 80 N 1.78 5.19 0.38 2.92 -1.09 -1.11 0.29 121.20 129.56 1krw s ILE 80 Ca 0.01 0.47 0.16 0.00 -2.23 0.00 0.00 60.65 59.06 1krw s ILE 80 Cb -0.15 -3.61 0.15 0.00 -1.58 0.00 0.00 42.46 37.27 1krw s ILE 80 CO -0.07 0.45 1.89 0.00 -1.23 0.00 0.00 174.94 175.99 1krw h MET 81 N 4.30 0.00 -3.98 2.79 -0.00 -1.85 -1.86 114.93 114.34 1krw h MET 81 Ca -0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.07 1krw h MET 81 Cb 1.21 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.69 1krw h MET 81 CO 0.63 0.29 -0.33 0.99 -0.00 0.00 0.00 176.91 178.49 1krw s THR 82 N -4.23 0.03 -0.57 -0.10 2.01 -1.24 -3.85 115.64 107.69 1krw s THR 82 Ca -0.03 -1.54 0.06 0.00 0.31 0.00 0.00 61.69 60.49 1krw s THR 82 Cb 0.14 -2.10 0.32 0.00 0.01 0.00 0.00 72.50 70.87 1krw s THR 82 CO 0.69 -0.14 0.89 0.00 -0.69 0.00 0.00 174.62 175.36 1krw n ALA 83 N -0.28 4.28 -1.44 7.40 0.00 -1.26 -4.69 120.51 124.53 1krw n ALA 83 Ca -0.03 -4.57 -0.30 0.00 0.00 0.00 0.00 53.44 48.53 1krw n ALA 83 Cb 0.63 -0.78 0.09 0.00 0.00 0.00 0.00 19.45 19.39 1krw n ALA 83 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1krw s HIS 84 N -3.16 2.76 0.00 0.00 3.76 -1.26 -4.64 115.29 112.76 1krw s HIS 84 Ca 0.46 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1krw s HIS 84 Cb 0.26 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1krw s HIS 84 CO -0.11 -1.76 0.00 0.45 -0.85 0.00 0.00 174.74 172.47 1krw n SER 85 N -3.46 -4.23 -4.55 1.40 2.88 -1.26 -4.45 113.62 99.95 1krw n SER 85 Ca 0.07 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 1krw n SER 85 Cb 0.55 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 1krw n SER 85 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1krw n ASP 86 N -2.29 1.35 0.30 -3.46 5.75 -1.26 -4.75 116.55 112.20 1krw n ASP 86 Ca 0.00 -1.09 0.10 0.00 -0.01 0.00 0.00 54.79 53.80 1krw n ASP 86 Cb 0.00 -1.45 0.49 0.00 -1.03 0.00 0.00 41.12 39.13 1krw n ASP 86 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1krw h LEU 87 N 19.86 0.00 -0.78 -2.12 3.38 -1.82 -2.33 115.31 131.50 1krw h LEU 87 Ca -0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.11 1krw h LEU 87 Cb 1.09 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1krw h LEU 87 CO 1.14 0.00 0.14 0.44 0.09 0.00 0.00 178.44 180.26 1krw h ASP 88 N 0.00 -0.10 0.28 -0.43 3.32 -1.96 0.69 116.42 118.23 1krw h ASP 88 Ca 0.03 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1krw h ASP 88 Cb 1.28 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 41.08 1krw h ASP 88 CO -0.00 -0.11 -0.11 0.00 -1.72 0.00 0.00 179.24 177.30 1krw h ALA 89 N 1.68 1.39 -0.03 3.45 0.00 -1.81 -2.38 119.26 121.56 1krw h ALA 89 Ca 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1krw h ALA 89 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1krw h ALA 89 CO -0.59 0.14 -0.08 0.00 0.00 0.00 0.00 179.25 178.72 1krw h ALA 90 N 1.89 0.04 0.31 0.00 0.00 0.18 -2.21 119.26 119.46 1krw h ALA 90 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1krw h ALA 90 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1krw h ALA 90 CO 0.01 -0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.32 1krw h VAL 91 N -0.48 0.73 -0.11 0.00 2.07 -1.15 -2.02 116.25 115.28 1krw h VAL 91 Ca -0.00 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1krw h VAL 91 Cb 0.71 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1krw h VAL 91 CO 0.02 0.07 0.16 0.77 0.02 0.00 0.00 177.57 178.60 1krw h SER 92 N -0.58 0.00 0.22 0.57 4.64 -1.56 -1.56 113.55 115.27 1krw h SER 92 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1krw h SER 92 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1krw h SER 92 CO 0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.82 1krw h ALA 93 N 1.78 -0.43 -0.92 5.18 0.00 -0.70 0.49 119.26 124.65 1krw h ALA 93 Ca 0.05 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.13 1krw h ALA 93 Cb 0.37 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1krw h ALA 93 CO -0.00 -0.77 0.63 1.88 0.00 0.00 0.00 179.25 180.99 1krw h TYR 94 N -0.45 0.34 0.00 0.00 0.05 -1.16 1.43 116.97 117.18 1krw h TYR 94 Ca -0.00 0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.53 1krw h TYR 94 Cb 0.42 -0.10 0.02 0.00 1.01 0.00 0.00 36.73 38.08 1krw h TYR 94 CO -0.15 0.07 -1.03 0.37 -1.05 0.00 0.00 178.16 176.37 1krw h GLN 95 N 0.24 0.66 -0.32 4.88 4.15 -1.33 -3.23 115.11 120.17 1krw h GLN 95 Ca 0.47 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1krw h GLN 95 Cb 1.45 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1krw h GLN 95 CO -0.12 1.30 0.00 0.00 -1.93 0.00 0.00 178.83 178.07 1krw n GLN 96 N -3.84 2.12 0.00 1.69 10.64 0.74 -4.90 117.38 123.84 1krw n GLN 96 Ca -0.10 -1.71 0.00 0.00 -1.83 0.00 0.00 57.00 53.36 1krw n GLN 96 Cb 0.88 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.82 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1krw n GLY 97 N 1.31 0.79 3.64 2.61 0.00 0.46 -3.80 105.19 110.20 1krw n GLY 97 Ca 0.17 -0.47 -0.06 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 0.00 -2.09 -0.08 4.61 0.00 -0.94 -3.59 121.76 119.66 1krw s ALA 98 Ca 0.00 2.02 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 1krw s ALA 98 Cb 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 23.12 21.40 1krw s ALA 98 CO 0.00 -0.28 0.75 0.35 0.00 0.00 0.00 175.76 176.58 1krw h PHE 99 N 4.98 -0.09 0.00 0.00 3.57 0.21 -3.35 116.94 122.25 1krw h PHE 99 Ca -0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1krw h PHE 99 Cb 1.18 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1krw h PHE 99 CO 0.23 0.46 0.00 -3.47 -2.23 0.00 0.00 178.31 173.30 1krw n ASP 100 N -4.80 0.00 -4.21 0.41 -0.08 -1.17 -4.97 116.55 101.73 1krw n ASP 100 Ca -0.07 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.03 1krw n ASP 100 Cb 0.29 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.64 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krw s TYR 101 N -2.72 1.31 -0.28 -0.67 1.51 -1.26 -2.74 117.35 112.50 1krw s TYR 101 Ca 0.00 -0.54 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1krw s TYR 101 Cb 0.00 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 1krw s TYR 101 CO 0.00 0.10 0.13 -0.51 -1.11 0.00 0.00 175.55 174.16 1krw s LEU 102 N -2.26 3.83 0.00 -1.29 1.02 -0.70 -4.98 118.68 114.30 1krw s LEU 102 Ca 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1krw s LEU 102 Cb -0.06 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1krw s LEU 102 CO 0.02 -0.10 0.32 -0.81 0.02 0.00 0.00 176.35 175.80 1krw n PRO 103 N 4.98 0.00 -0.04 1.29 -0.04 -1.26 -3.63 135.00 136.30 1krw n PRO 103 Ca -0.15 0.44 -0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1krw n PRO 103 Cb 0.51 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.82 0.31 -1.43 0.54 4.81 -1.26 -4.84 118.16 114.47 1krw n LYS 104 Ca 0.00 0.12 -0.36 0.00 -0.87 0.00 0.00 58.31 57.21 1krw n LYS 104 Cb 0.00 -1.04 0.09 0.00 0.02 0.00 0.00 35.03 34.10 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 -4.00 0.63 0.00 1.64 -0.04 -1.26 -4.97 135.00 127.00 1krw n PRO 105 Ca -0.11 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1krw n PRO 105 Cb 0.35 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 -2.42 0.00 -0.21 0.54 7.35 -1.26 -4.83 117.46 116.63 1krw n PHE 106 Ca 0.14 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.85 1krw n PHE 106 Cb 0.49 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.31 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 -1.07 -0.16 -2.13 5.68 -1.26 -2.24 116.55 115.37 1krw n ASP 107 Ca 0.00 0.19 -0.11 0.00 -0.50 0.00 0.00 54.79 54.37 1krw n ASP 107 Cb 0.00 -0.94 -0.01 0.00 -1.14 0.00 0.00 41.12 39.04 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 -0.16 1.27 -0.14 2.12 5.03 -2.00 0.25 117.51 123.89 1krw h ILE 108 Ca 0.00 -1.31 0.04 0.00 -0.12 0.00 0.00 64.86 63.47 1krw h ILE 108 Cb 0.16 1.14 -0.07 0.00 -3.03 0.00 0.00 36.82 35.02 1krw h ILE 108 CO 0.00 0.45 -0.49 -0.78 -0.68 0.00 0.00 178.15 176.65 1krw h ASP 109 N 0.77 -1.54 0.73 1.72 3.58 -1.98 1.05 116.42 120.74 1krw h ASP 109 Ca 0.11 0.19 -0.21 0.00 0.42 0.00 0.00 57.03 57.54 1krw h ASP 109 Cb 0.73 0.61 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1krw h ASP 109 CO 0.06 -0.46 -0.97 -0.33 -2.88 0.00 0.00 179.24 174.65 1krw h GLU 110 N -0.54 0.14 0.58 0.28 4.39 -1.51 -2.03 114.58 115.88 1krw h GLU 110 Ca 0.05 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1krw h GLU 110 Cb 0.66 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1krw h GLU 110 CO -0.42 1.00 -0.28 0.00 -1.16 0.00 0.00 179.01 178.15 1krw h ALA 111 N 0.93 -0.97 -0.27 3.43 0.00 -0.50 -0.50 119.26 121.38 1krw h ALA 111 Ca -0.05 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1krw h ALA 111 Cb 1.66 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1krw h ALA 111 CO 0.14 -0.91 0.19 0.28 0.00 0.00 0.00 179.25 178.95 1krw h VAL 112 N -0.96 0.95 -0.32 0.00 2.07 0.10 0.83 116.25 118.92 1krw h VAL 112 Ca -0.08 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1krw h VAL 112 Cb 0.60 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1krw h VAL 112 CO 0.13 0.03 0.12 0.00 0.02 0.00 0.00 177.57 177.87 1krw h ALA 113 N 1.85 0.41 0.00 1.67 0.00 -1.26 -1.55 119.26 120.39 1krw h ALA 113 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1krw h ALA 113 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1krw h ALA 113 CO -0.02 0.02 -0.21 1.25 0.00 0.00 0.00 179.25 180.30 1krw h LEU 114 N 0.36 0.00 0.08 0.00 5.85 0.06 -2.94 115.31 118.71 1krw h LEU 114 Ca 0.11 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1krw h LEU 114 Cb 0.20 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 1krw h LEU 114 CO -0.01 0.21 -0.50 1.62 -0.34 0.00 0.00 178.44 179.42 1krw h VAL 115 N 0.00 1.60 -0.16 1.05 3.04 -0.62 -2.82 116.25 118.33 1krw h VAL 115 Ca -0.00 -2.39 -0.01 0.00 -1.01 0.00 0.00 66.70 63.28 1krw h VAL 115 Cb 1.00 3.18 -0.01 0.00 -2.01 0.00 0.00 31.29 33.45 1krw h VAL 115 CO 0.03 0.66 0.04 -0.33 -1.01 0.00 0.00 177.57 176.96 1krw h GLU 116 N -0.55 0.25 0.00 4.17 5.08 -1.38 -2.30 114.58 119.84 1krw h GLU 116 Ca -0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1krw h GLU 116 Cb 1.37 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1krw h GLU 116 CO 0.10 0.38 -0.02 0.07 -1.00 0.00 0.00 179.01 178.54 1krw h ARG 117 N 0.06 0.00 -0.17 2.33 0.11 -1.66 -0.76 114.38 114.29 1krw h ARG 117 Ca 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 1krw h ARG 117 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1krw h ARG 117 CO -0.00 0.02 -0.02 0.00 0.10 0.00 0.00 179.97 180.07 1krw h ALA 118 N 1.98 0.23 -0.02 0.08 0.00 -1.16 -1.58 119.26 118.79 1krw h ALA 118 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1krw h ALA 118 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1krw h ALA 118 CO 0.00 -0.03 -0.51 0.82 0.00 0.00 0.00 179.25 179.53 1krw h ILE 119 N 0.05 1.36 -0.36 0.00 2.04 -0.91 -2.87 117.51 116.82 1krw h ILE 119 Ca 0.05 -1.75 -0.07 0.00 1.00 0.00 0.00 64.86 64.09 1krw h ILE 119 Cb 0.43 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1krw h ILE 119 CO 0.01 0.51 -0.03 -1.28 0.00 0.00 0.00 178.15 177.35 1krw h SER 120 N 0.05 0.65 0.57 1.72 0.87 -1.02 0.17 113.55 116.56 1krw h SER 120 Ca -0.00 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.18 1krw h SER 120 Cb 0.92 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1krw h SER 120 CO 0.07 0.83 -0.24 0.45 -0.53 0.00 0.00 176.83 177.41 1krw h HIS 121 N 0.46 0.00 0.16 2.24 3.86 -1.21 -3.07 115.15 117.59 1krw h HIS 121 Ca 0.10 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.06 1krw h HIS 121 Cb 0.52 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.00 1krw h HIS 121 CO 0.04 0.24 -1.18 1.88 0.86 0.00 0.00 177.93 179.77 1krw h TYR 122 N 0.00 0.60 -2.84 2.45 0.05 -1.28 -3.47 116.97 112.48 1krw h TYR 122 Ca -0.00 -0.44 -0.24 0.00 0.05 0.00 0.00 58.73 58.10 1krw h TYR 122 Cb 0.59 -0.02 0.11 0.00 1.01 0.00 0.00 36.73 38.41 1krw h TYR 122 CO 0.00 1.46 0.16 0.00 -1.05 0.00 0.00 178.16 178.73 1krw n GLN 123 N -3.96 -1.42 -0.57 4.88 10.64 0.03 -5.11 117.38 121.86 1krw n GLN 123 Ca -0.19 -1.11 0.00 0.00 -1.83 0.00 0.00 57.00 53.87 1krw n GLN 123 Cb 0.91 -0.86 0.00 0.00 -0.86 0.00 0.00 30.24 29.43 1krw n GLN 123 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62