#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 3.68 0.04 3.17 -0.44 -1.26 -5.01 119.66 119.83 1krw s GLN 2 Ca 0.00 0.60 -0.27 0.00 -2.50 0.00 0.00 55.36 53.20 1krw s GLN 2 Cb 0.00 -2.21 -0.17 0.00 -1.64 0.00 0.00 33.01 28.99 1krw s GLN 2 CO 0.00 -0.34 1.40 0.07 0.50 0.00 0.00 175.29 176.92 1krw h ARG 3 N 0.28 -0.48 -0.52 1.67 0.11 -2.05 -3.50 114.38 109.89 1krw h ARG 3 Ca -0.46 0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1krw h ARG 3 Cb 1.19 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1krw h ARG 3 CO 0.62 -0.20 0.00 0.41 0.10 0.00 0.00 179.97 180.90 1krw n GLY 4 N -0.72 -0.26 3.21 0.08 0.00 -1.26 -4.49 105.19 101.74 1krw n GLY 4 Ca -0.10 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 3.05 -0.21 -0.61 -1.09 -1.26 0.15 121.20 121.23 1krw s ILE 5 Ca 0.00 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.35 1krw s ILE 5 Cb 0.00 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1krw s ILE 5 CO 0.00 0.12 -0.08 0.54 -1.23 0.00 0.00 174.94 174.29 1krw s VAL 6 N 1.34 3.03 0.00 2.92 0.11 0.22 -0.43 120.40 127.59 1krw s VAL 6 Ca -0.01 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1krw s VAL 6 Cb -0.17 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1krw s VAL 6 CO -0.03 0.44 -0.10 0.26 -3.33 0.00 0.00 175.10 172.34 1krw s TRP 7 N 1.43 2.79 -0.03 1.54 0.52 -1.15 -2.54 118.94 121.50 1krw s TRP 7 Ca 0.05 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1krw s TRP 7 Cb -0.14 -1.58 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1krw s TRP 7 CO -0.06 0.32 -0.13 0.08 0.02 0.00 0.00 176.95 177.18 1krw s VAL 8 N -0.94 1.09 -0.29 4.03 1.01 0.79 -1.50 120.40 124.59 1krw s VAL 8 Ca 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1krw s VAL 8 Cb -0.11 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1krw s VAL 8 CO 0.06 0.32 -0.02 0.68 0.00 0.00 0.00 175.10 176.14 1krw s VAL 9 N -0.01 2.84 0.00 2.92 -7.23 0.31 -0.55 120.40 118.68 1krw s VAL 9 Ca -0.01 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1krw s VAL 9 Cb -0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1krw s VAL 9 CO 0.01 -0.09 0.00 -0.90 -0.31 0.00 0.00 175.10 173.81 1krw n ASP 10 N 4.59 0.00 0.00 4.85 5.68 -0.83 -1.01 116.55 129.82 1krw n ASP 10 Ca -0.13 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.21 1krw n ASP 10 Cb 0.43 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.69 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 0.00 0.00 0.00 -1.12 9.92 -1.26 -3.99 116.55 120.10 1krw n ASP 11 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1krw n ASP 11 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1krw n ASP 12 N -1.15 -0.43 0.00 -2.24 -0.08 -1.26 -4.73 116.55 106.67 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 -1.78 0.00 0.18 1.67 3.41 -1.26 -0.92 113.62 114.91 1krw n SER 13 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1krw n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.44 0.04 4.04 0.87 -2.00 0.16 113.55 115.22 1krw h SER 14 Ca 0.00 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1krw h SER 14 Cb 0.00 0.51 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1krw h SER 14 CO 0.00 -0.58 -0.01 0.40 -0.53 0.00 0.00 176.83 176.11 1krw h ILE 15 N -0.83 0.51 0.08 2.23 1.08 -1.37 -2.13 117.51 117.08 1krw h ILE 15 Ca -0.03 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1krw h ILE 15 Cb 0.77 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1krw h ILE 15 CO -0.18 0.01 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.16 1krw h ARG 16 N 0.00 -0.11 -0.86 2.37 2.43 -1.10 -2.66 114.38 114.45 1krw h ARG 16 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1krw h ARG 16 Cb 0.04 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1krw h ARG 16 CO 0.00 0.39 0.57 2.35 -1.51 0.00 0.00 179.97 181.78 1krw h TRP 17 N -0.68 1.06 0.31 2.20 7.01 -0.28 0.32 115.95 125.88 1krw h TRP 17 Ca -0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1krw h TRP 17 Cb 0.55 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1krw h TRP 17 CO 0.10 0.64 -0.15 0.28 -2.79 0.00 0.00 178.44 176.52 1krw h VAL 18 N 1.12 0.71 0.00 2.65 2.07 -1.45 -2.97 116.25 118.38 1krw h VAL 18 Ca 0.33 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1krw h VAL 18 Cb -0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1krw h VAL 18 CO -0.09 0.10 -0.52 0.25 0.02 0.00 0.00 177.57 177.33 1krw h LEU 19 N -0.69 0.00 0.58 2.57 7.12 -1.38 -3.15 115.31 120.36 1krw h LEU 19 Ca -0.04 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 1krw h LEU 19 Cb 0.48 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1krw h LEU 19 CO 0.07 0.52 -0.28 1.05 -0.13 0.00 0.00 178.44 179.67 1krw h GLU 20 N 0.00 -0.75 0.44 1.25 4.11 -0.40 -2.24 114.58 116.99 1krw h GLU 20 Ca -0.01 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1krw h GLU 20 Cb 1.21 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1krw h GLU 20 CO 0.07 -0.50 -0.31 0.00 0.07 0.00 0.00 179.01 178.34 1krw h ARG 21 N -1.14 -0.70 -0.32 1.06 2.47 -1.66 0.58 114.38 114.67 1krw h ARG 21 Ca -0.08 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 1krw h ARG 21 Cb 0.60 0.16 -0.06 0.00 -1.65 0.00 0.00 29.97 29.01 1krw h ARG 21 CO 0.13 -0.47 -0.09 0.00 0.56 0.00 0.00 179.97 180.11 1krw h ALA 22 N -0.25 0.20 0.00 0.04 0.00 -1.68 -0.05 119.26 117.53 1krw h ALA 22 Ca -0.04 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1krw h ALA 22 Cb 0.61 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1krw h ALA 22 CO 0.02 -0.47 -0.43 -0.07 0.00 0.00 0.00 179.25 178.31 1krw h LEU 23 N -0.01 0.00 -1.41 0.00 3.38 -1.31 -2.15 115.31 113.81 1krw h LEU 23 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1krw h LEU 23 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1krw h LEU 23 CO -0.34 0.43 0.25 0.00 0.09 0.00 0.00 178.44 178.87 1krw h ALA 24 N 1.57 1.55 0.00 1.53 0.00 0.19 0.23 119.26 124.34 1krw h ALA 24 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 24 Cb 0.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1krw h ALA 24 CO 0.06 0.37 -0.08 0.78 0.00 0.00 0.00 179.25 180.37 1krw h GLY 25 N 0.73 0.00 2.00 0.00 0.00 -0.44 0.93 103.07 106.29 1krw h GLY 25 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1krw h GLY 25 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1krw h ALA 26 N 1.92 1.00 0.00 3.60 0.00 -0.55 -3.47 119.26 121.76 1krw h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 26 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1krw h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krw n GLY 27 N 1.08 1.30 3.62 0.00 0.00 0.32 -5.10 105.19 106.41 1krw n GLY 27 Ca 0.05 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 2.91 -0.31 0.99 1.02 -1.18 -4.66 118.68 117.45 1krw s LEU 28 Ca 0.00 -1.19 -0.22 0.00 0.02 0.00 0.00 54.13 52.74 1krw s LEU 28 Cb 0.00 -1.12 -0.00 0.00 0.02 0.00 0.00 46.19 45.08 1krw s LEU 28 CO 0.00 -0.35 0.72 -0.89 0.02 0.00 0.00 176.35 175.84 1krw s THR 29 N -2.62 4.86 -0.34 5.49 2.01 0.12 -4.38 115.64 120.78 1krw s THR 29 Ca 0.35 1.03 -0.07 0.00 0.31 0.00 0.00 61.69 63.32 1krw s THR 29 Cb 0.05 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.51 1krw s THR 29 CO 0.19 -0.20 0.11 0.00 -0.69 0.00 0.00 174.62 174.03 1krw s THR 31 N 1.42 0.99 0.34 0.00 -1.32 -1.05 -4.84 115.64 111.17 1krw s THR 31 Ca -0.01 -0.47 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 1krw s THR 31 Cb -0.19 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1krw s THR 31 CO 0.03 0.30 0.15 0.42 -2.21 0.00 0.00 174.62 173.31 1krw s THR 32 N 0.15 3.11 0.27 5.08 -4.23 -1.25 -0.15 115.64 118.62 1krw s THR 32 Ca -0.03 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1krw s THR 32 Cb -0.10 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1krw s THR 32 CO 0.01 -0.19 0.14 -0.36 -0.54 0.00 0.00 174.62 173.67 1krw s PHE 33 N -2.41 1.49 0.39 3.99 0.40 0.29 -4.91 117.98 117.22 1krw s PHE 33 Ca 0.38 -1.32 0.09 0.00 -0.60 0.00 0.00 56.93 55.47 1krw s PHE 33 Cb -0.03 -0.80 0.79 0.00 0.51 0.00 0.00 43.02 43.49 1krw s PHE 33 CO 0.23 -0.50 1.94 1.05 0.70 0.00 0.00 175.22 178.64 1krw h GLU 34 N 2.35 0.32 0.00 0.44 9.09 -1.90 -2.22 114.58 122.66 1krw h GLU 34 Ca -0.35 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1krw h GLU 34 Cb 1.25 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1krw h GLU 34 CO 0.55 0.38 0.00 -1.71 0.05 0.00 0.00 179.01 178.28 1krw n ASN 35 N -4.32 0.00 -0.54 3.06 2.85 -1.26 -4.30 115.26 110.75 1krw n ASN 35 Ca 0.00 0.00 0.46 0.00 -0.11 0.00 0.00 54.58 54.93 1krw n ASN 35 Cb 0.22 0.00 0.79 0.00 1.24 0.00 0.00 39.78 42.04 1krw n ASN 35 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1krw h GLY 36 N 0.00 0.00 0.89 8.20 0.00 -1.90 0.33 103.07 110.59 1krw h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1krw h GLY 36 CO 0.00 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 179.88 1krw h ASN 37 N 0.00 -0.22 -0.48 0.19 -0.26 -1.94 -2.41 115.58 110.46 1krw h ASN 37 Ca 0.78 0.02 0.09 0.00 -0.56 0.00 0.00 56.30 56.63 1krw h ASN 37 Cb 3.15 0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 40.41 1krw h ASN 37 CO -0.01 -0.13 -0.01 -0.08 -1.06 0.00 0.00 177.43 176.14 1krw h GLU 38 N -0.19 0.10 0.00 0.81 4.22 -1.32 0.15 114.58 118.35 1krw h GLU 38 Ca 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1krw h GLU 38 Cb 0.19 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1krw h GLU 38 CO -0.02 0.07 -0.03 0.28 -2.18 0.00 0.00 179.01 177.13 1krw h VAL 39 N 0.10 0.76 -0.40 0.32 2.07 -1.57 -1.57 116.25 115.96 1krw h VAL 39 Ca 0.24 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1krw h VAL 39 Cb 0.36 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1krw h VAL 39 CO -0.41 0.03 0.18 -0.07 0.02 0.00 0.00 177.57 177.32 1krw h LEU 40 N 0.00 0.24 -0.04 2.57 3.38 -0.19 0.66 115.31 121.94 1krw h LEU 40 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 40 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1krw h LEU 40 CO 0.00 0.18 -0.07 0.00 0.09 0.00 0.00 178.44 178.64 1krw h ALA 41 N 1.23 0.06 -0.27 1.53 0.00 -1.23 -3.06 119.26 117.52 1krw h ALA 41 Ca 0.18 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 41 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1krw h ALA 41 CO -0.15 -0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.19 1krw h ALA 42 N 0.47 2.00 0.00 0.00 0.00 -1.10 -0.13 119.26 120.50 1krw h ALA 42 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1krw h ALA 42 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1krw h ALA 42 CO 0.02 -0.05 -0.25 -0.07 0.00 0.00 0.00 179.25 178.90 1krw h LEU 43 N 0.20 0.00 -2.34 0.00 3.38 0.39 -2.94 115.31 114.01 1krw h LEU 43 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1krw h LEU 43 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1krw h LEU 43 CO -0.02 0.25 0.18 0.00 0.09 0.00 0.00 178.44 178.95 1krw h ALA 44 N 1.75 1.18 0.00 1.53 0.00 -0.91 -1.44 119.26 121.37 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 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1krw h ALA 44 CO 0.03 -0.18 0.00 0.43 0.00 0.00 0.00 179.25 179.53 1krw n SER 45 N -2.91 0.92 -3.50 0.00 7.64 -1.12 -5.07 113.62 109.58 1krw n SER 45 Ca -0.02 -1.16 -0.12 0.00 1.01 0.00 0.00 58.87 58.57 1krw n SER 45 Cb 0.24 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.16 0.97 -0.14 1.43 2.20 -0.54 -5.16 119.74 118.34 1krw s LYS 46 Ca 0.00 -0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 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 -0.37 0.07 0.99 -0.36 0.00 0.00 175.35 175.68 1krw s THR 47 N -2.43 0.01 0.76 3.43 2.01 -1.26 -3.93 115.64 114.23 1krw s THR 47 Ca -0.01 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 1krw s THR 47 Cb -0.01 -0.53 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1krw s THR 47 CO -0.03 -0.14 1.11 -2.16 -0.69 0.00 0.00 174.62 172.70 1krw s PRO 48 N 2.10 2.42 -0.06 4.92 0.04 -1.26 -4.99 135.00 138.18 1krw s PRO 48 Ca 0.02 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 1krw s PRO 48 Cb -0.15 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1krw s PRO 48 CO -0.07 -1.35 0.45 0.38 0.04 0.00 0.00 177.00 176.45 1krw h ASP 49 N -0.88 -0.30 -1.84 6.66 2.03 -1.13 -3.47 116.42 117.49 1krw h ASP 49 Ca -0.46 -0.02 -0.46 0.00 -0.73 0.00 0.00 57.03 55.36 1krw h ASP 49 Cb 1.27 0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 1krw h ASP 49 CO 0.63 0.17 -0.38 0.54 -1.03 0.00 0.00 179.24 179.16 1krw s VAL 50 N -2.77 3.98 -0.13 4.15 0.11 -1.11 -4.24 120.40 120.38 1krw s VAL 50 Ca -0.06 -1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 57.70 1krw s VAL 50 Cb 0.00 -3.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.53 1krw s VAL 50 CO 0.18 -0.17 0.47 -0.22 -3.33 0.00 0.00 175.10 172.03 1krw s LEU 51 N -4.11 0.19 0.01 2.54 2.96 0.14 -2.93 118.68 117.48 1krw s LEU 51 Ca 0.43 0.78 0.05 0.00 -0.22 0.00 0.00 54.13 55.16 1krw s LEU 51 Cb -0.08 1.69 -0.02 0.00 0.50 0.00 0.00 46.19 48.28 1krw s LEU 51 CO 0.30 -0.27 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.15 1krw s LEU 52 N -0.21 2.08 -0.03 -0.68 1.43 -0.56 0.67 118.68 121.38 1krw s LEU 52 Ca -0.04 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1krw s LEU 52 Cb -0.03 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1krw s LEU 52 CO 0.02 0.13 -0.13 -0.44 0.23 0.00 0.00 176.35 176.16 1krw s SER 53 N -0.64 1.62 0.37 2.29 0.01 -0.60 -0.53 113.70 116.22 1krw s SER 53 Ca 0.04 -0.26 0.25 0.00 1.31 0.00 0.00 55.95 57.30 1krw s SER 53 Cb -0.06 -0.35 0.67 0.00 0.21 0.00 0.00 66.02 66.48 1krw s SER 53 CO 0.00 0.13 1.72 -2.24 0.41 0.00 0.00 173.24 173.26 1krw h ASP 54 N 6.15 0.00 -6.03 2.44 2.03 -1.38 -2.99 116.42 116.65 1krw h ASP 54 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1krw h ASP 54 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1krw h ASP 54 CO 0.48 0.00 -0.94 0.00 -1.03 0.00 0.00 179.24 177.75 1krw n ILE 55 N -2.78 -4.63 -2.61 4.15 3.06 -1.26 -4.58 119.36 110.71 1krw n ILE 55 Ca 0.04 0.85 -0.14 0.00 -2.50 0.00 0.00 62.75 61.00 1krw n ILE 55 Cb 0.45 -4.00 0.02 0.00 0.54 0.00 0.00 39.64 36.65 1krw n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1krw n ARG 56 N 1.26 1.84 -3.54 9.51 3.00 -1.25 -4.79 116.66 122.69 1krw n ARG 56 Ca -0.01 -3.63 -0.19 0.00 -0.00 0.00 0.00 57.85 54.02 1krw n ARG 56 Cb 0.35 -1.55 0.06 0.00 0.00 0.00 0.00 32.46 31.32 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 -0.20 -5.39 0.00 -0.14 0.00 -0.15 -4.92 117.12 106.31 1krw n MET 57 Ca 0.18 0.74 0.00 0.00 0.00 0.00 0.00 57.70 58.62 1krw n MET 57 Cb 0.77 -5.51 0.00 0.00 0.00 0.00 0.00 33.22 28.49 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 -4.13 0.00 -0.01 2.12 -0.04 -1.26 -4.61 135.00 127.07 1krw n PRO 58 Ca -0.27 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.28 1krw n PRO 58 Cb 0.67 -0.83 -0.07 0.00 -0.04 0.00 0.00 33.50 33.24 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 -0.39 2.74 0.55 0.00 -1.26 -4.84 105.19 102.82 1krw n GLY 59 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.84 0.87 0.00 1.61 0.00 -1.26 -4.91 117.12 111.59 1krw n MET 60 Ca -0.02 -1.80 0.00 0.00 -0.00 0.00 0.00 57.70 55.87 1krw n MET 60 Cb 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 1.18 0.00 0.00 6.12 9.92 -1.26 -2.33 116.55 130.18 1krw n ASP 61 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1krw n ASP 61 Cb 0.66 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.91 2.04 0.21 0.44 0.00 -1.26 -0.98 105.19 104.73 1krw n GLY 62 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.78 -1.64 115.31 114.93 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 0.28 0.43 0.00 -1.08 0.00 0.00 178.44 178.07 1krw h ALA 64 N 1.72 2.43 0.00 1.53 0.00 -1.89 -1.30 119.26 121.75 1krw h ALA 64 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1krw h ALA 64 Cb 0.55 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1krw h ALA 64 CO 0.04 -0.71 -0.41 1.25 0.00 0.00 0.00 179.25 179.42 1krw h LEU 65 N 0.00 -1.23 -0.93 0.00 6.46 -1.62 -1.41 115.31 116.58 1krw h LEU 65 Ca 0.26 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.26 1krw h LEU 65 Cb 1.11 0.48 -0.07 0.00 -0.73 0.00 0.00 40.66 41.45 1krw h LEU 65 CO -0.00 -0.45 0.57 -0.07 -0.62 0.00 0.00 178.44 177.87 1krw h LEU 66 N -0.56 0.86 -0.65 2.25 3.38 -1.40 -2.02 115.31 117.17 1krw h LEU 66 Ca 0.05 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1krw h LEU 66 Cb 0.64 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1krw h LEU 66 CO -0.31 0.50 -0.09 0.50 0.09 0.00 0.00 178.44 179.14 1krw h LYS 67 N 0.97 0.05 -0.09 1.13 3.11 -1.14 0.21 116.57 120.81 1krw h LYS 67 Ca 0.44 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 58.16 1krw h LYS 67 Cb 0.33 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1krw h LYS 67 CO -0.23 0.03 -0.43 1.96 -2.81 0.00 0.00 179.45 177.97 1krw h GLN 68 N 0.05 0.21 -0.88 1.90 1.08 -1.09 -2.91 115.11 113.47 1krw h GLN 68 Ca 0.33 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1krw h GLN 68 Cb 0.53 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 1krw h GLN 68 CO -0.62 0.61 0.54 0.82 -0.95 0.00 0.00 178.83 179.23 1krw h ILE 69 N 0.18 1.24 0.00 2.54 2.04 -0.16 -1.93 117.51 121.43 1krw h ILE 69 Ca 0.01 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.24 1krw h ILE 69 Cb 0.84 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1krw h ILE 69 CO 0.07 0.25 -0.58 0.07 0.00 0.00 0.00 178.15 177.96 1krw h LYS 70 N 1.21 0.00 -0.20 2.37 5.09 -1.14 0.22 116.57 124.12 1krw h LYS 70 Ca 0.32 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.90 1krw h LYS 70 Cb -0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.27 1krw h LYS 70 CO -0.06 0.58 -0.50 0.37 -2.09 0.00 0.00 179.45 177.74 1krw h GLN 71 N 0.00 0.69 0.00 0.07 4.15 -1.24 -3.33 115.11 115.46 1krw h GLN 71 Ca -0.01 -0.48 -0.21 0.00 0.77 0.00 0.00 58.65 58.72 1krw h GLN 71 Cb 1.17 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 1krw h GLN 71 CO 0.07 1.10 -1.84 0.54 -1.93 0.00 0.00 178.83 176.78 1krw n ARG 72 N -4.14 0.65 -4.50 1.69 5.12 -0.77 -4.98 116.66 109.71 1krw n ARG 72 Ca -0.06 0.09 -0.24 0.00 -1.93 0.00 0.00 57.85 55.71 1krw n ARG 72 Cb 0.60 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 30.12 1krw n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1krw s HIS 73 N -2.87 2.16 0.00 -1.55 0.09 0.79 -4.97 115.29 108.94 1krw s HIS 73 Ca -0.06 -0.78 0.00 0.00 -0.00 0.00 0.00 55.06 54.22 1krw s HIS 73 Cb 0.09 -1.40 0.00 0.00 -0.00 0.00 0.00 32.58 31.26 1krw s HIS 73 CO 0.83 0.25 0.17 -0.35 -0.00 0.00 0.00 174.74 175.64 1krw n PRO 74 N -0.76 0.00 -2.87 8.40 -0.04 -1.26 -4.04 135.00 134.43 1krw n PRO 74 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1krw n PRO 74 Cb 0.66 -0.60 0.03 0.00 -0.04 0.00 0.00 33.50 33.55 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 -0.34 1.07 -1.56 0.54 2.81 -1.25 -4.48 117.12 113.90 1krw n MET 75 Ca 0.00 -2.84 -0.45 0.00 -1.81 0.00 0.00 57.70 52.60 1krw n MET 75 Cb 0.00 -1.19 -0.04 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.06 3.01 -4.63 4.03 -0.00 -1.26 -4.13 117.00 114.08 1krw n LEU 76 Ca 0.12 0.33 -0.44 0.00 -0.00 0.00 0.00 56.01 56.03 1krw n LEU 76 Cb 0.74 -1.47 -0.04 0.00 -0.00 0.00 0.00 43.42 42.66 1krw n LEU 76 CO 0.15 -0.63 1.70 -2.65 -0.00 0.00 0.00 177.39 175.97 1krw n PRO 77 N 8.43 2.32 -4.66 1.96 -0.02 -1.26 -3.48 135.00 138.29 1krw n PRO 77 Ca 0.32 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.27 1krw n PRO 77 Cb 0.38 -3.01 -0.13 0.00 -0.02 0.00 0.00 33.50 30.71 1krw n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krw s VAL 78 N 6.07 2.57 -0.26 -1.45 1.01 -1.24 0.24 120.40 127.34 1krw s VAL 78 Ca 0.95 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1krw s VAL 78 Cb -0.46 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1krw s VAL 78 CO 0.41 0.29 -0.08 -0.63 0.00 0.00 0.00 175.10 175.09 1krw s ILE 79 N -0.93 2.53 -0.13 2.22 1.09 0.21 0.91 121.20 127.10 1krw s ILE 79 Ca 0.14 -1.33 -0.16 0.00 -1.10 0.00 0.00 60.65 58.20 1krw s ILE 79 Cb -0.10 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1krw s ILE 79 CO 0.05 0.08 0.40 -0.63 -0.10 0.00 0.00 174.94 174.74 1krw s ILE 80 N 1.22 5.23 0.27 2.92 -1.09 -0.99 -1.56 121.20 127.20 1krw s ILE 80 Ca -0.04 0.78 0.11 0.00 -2.23 0.00 0.00 60.65 59.27 1krw s ILE 80 Cb -0.18 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1krw s ILE 80 CO -0.05 0.37 1.62 0.00 -1.23 0.00 0.00 174.94 175.64 1krw h MET 81 N 6.58 0.00 -4.29 2.79 -0.00 -1.80 -1.57 114.93 116.65 1krw h MET 81 Ca -0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 58.94 1krw h MET 81 Cb 1.18 0.00 -0.29 0.00 -0.00 0.00 0.00 31.60 32.48 1krw h MET 81 CO 0.75 0.61 -0.76 0.99 -0.00 0.00 0.00 176.91 178.50 1krw s THR 82 N -3.60 0.44 -0.10 -0.10 2.01 -1.26 -4.23 115.64 108.81 1krw s THR 82 Ca -0.01 -0.21 0.15 0.00 0.31 0.00 0.00 61.69 61.93 1krw s THR 82 Cb 0.13 -0.39 -0.16 0.00 0.01 0.00 0.00 72.50 72.08 1krw s THR 82 CO 0.76 0.14 0.80 0.00 -0.69 0.00 0.00 174.62 175.63 1krw h ALA 83 N 6.20 0.69 -0.24 7.40 0.00 -1.87 -3.46 119.26 127.99 1krw h ALA 83 Ca -0.30 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1krw h ALA 83 Cb 1.18 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1krw h ALA 83 CO 0.50 1.11 0.00 0.72 0.00 0.00 0.00 179.25 181.58 1krw n HIS 84 N -2.95 -0.23 -2.00 0.00 8.25 -1.26 -4.48 115.22 112.55 1krw n HIS 84 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.05 1krw n HIS 84 Cb 0.90 0.05 0.04 0.00 1.12 0.00 0.00 29.99 32.10 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 -4.00 5.52 -0.69 0.41 0.15 -1.26 -4.18 113.70 109.65 1krw s SER 85 Ca 0.00 1.05 -0.00 0.00 0.70 0.00 0.00 55.95 57.70 1krw s SER 85 Cb 0.00 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1krw s SER 85 CO 0.00 -1.25 0.06 0.47 1.20 0.00 0.00 173.24 173.72 1krw n ASP 86 N -2.90 -3.06 0.19 5.45 8.00 -1.26 -4.79 116.55 118.18 1krw n ASP 86 Ca 0.06 -0.03 0.13 0.00 0.71 0.00 0.00 54.79 55.66 1krw n ASP 86 Cb 0.57 -2.27 0.43 0.00 -0.02 0.00 0.00 41.12 39.83 1krw n ASP 86 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1krw h LEU 87 N -0.13 0.00 -0.83 0.64 3.38 -1.79 -1.50 115.31 115.08 1krw h LEU 87 Ca -0.20 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 87 Cb 1.15 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1krw h LEU 87 CO 0.23 0.00 0.28 0.44 0.09 0.00 0.00 178.44 179.48 1krw h ASP 88 N 0.00 0.15 0.71 -0.43 5.19 -1.95 0.88 116.42 120.96 1krw h ASP 88 Ca 0.12 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1krw h ASP 88 Cb 1.66 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 41.35 1krw h ASP 88 CO -0.00 -0.04 -0.02 0.00 -3.12 0.00 0.00 179.24 176.06 1krw h ALA 89 N 1.68 1.02 0.05 3.45 0.00 -1.65 -2.94 119.26 120.87 1krw h ALA 89 Ca 0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1krw h ALA 89 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1krw h ALA 89 CO -0.54 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 178.71 1krw h ALA 90 N 1.98 -0.06 -0.24 0.00 0.00 0.64 0.50 119.26 122.08 1krw h ALA 90 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1krw h ALA 90 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1krw h ALA 90 CO 0.00 -0.48 -0.07 0.28 0.00 0.00 0.00 179.25 178.98 1krw h VAL 91 N -0.18 1.29 0.00 0.00 2.07 -1.47 -1.88 116.25 116.08 1krw h VAL 91 Ca -0.01 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1krw h VAL 91 Cb 0.16 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1krw h VAL 91 CO 0.01 0.34 0.00 -1.20 0.02 0.00 0.00 177.57 176.74 1krw n SER 92 N -4.55 0.49 -0.01 0.57 7.64 -1.12 -2.14 113.62 114.50 1krw n SER 92 Ca -0.04 0.71 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1krw n SER 92 Cb 0.31 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 62.64 1krw n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1krw h ALA 93 N 2.05 -0.10 -0.70 -0.43 0.00 -0.04 -2.64 119.26 117.39 1krw h ALA 93 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1krw h ALA 93 Cb 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1krw h ALA 93 CO 0.00 -0.16 0.46 1.88 0.00 0.00 0.00 179.25 181.43 1krw h TYR 94 N -0.88 0.56 -0.04 0.00 0.05 -1.26 0.97 116.97 116.37 1krw h TYR 94 Ca -0.01 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.60 1krw h TYR 94 Cb 0.60 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1krw h TYR 94 CO 0.14 0.25 -0.79 -0.56 -1.05 0.00 0.00 178.16 176.15 1krw h GLN 95 N 0.52 0.32 -0.72 4.88 -0.00 -1.62 -3.14 115.11 115.34 1krw h GLN 95 Ca 0.33 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1krw h GLN 95 Cb 0.58 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.13 1krw h GLN 95 CO -0.11 0.96 0.00 0.00 -0.00 0.00 0.00 178.83 179.68 1krw n GLN 96 N -3.78 3.01 0.00 0.06 10.64 -0.02 -4.92 117.38 122.37 1krw n GLN 96 Ca -0.04 -2.74 0.00 0.00 -1.83 0.00 0.00 57.00 52.39 1krw n GLN 96 Cb 0.74 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 1.52 0.83 3.64 2.61 0.00 0.32 -3.91 105.19 110.20 1krw n GLY 97 Ca 0.25 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.01 -2.13 -0.08 4.61 0.00 -0.92 -3.69 121.76 119.54 1krw s ALA 98 Ca 0.00 2.04 -0.23 0.00 0.00 0.00 0.00 51.96 53.77 1krw s ALA 98 Cb 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 23.12 21.34 1krw s ALA 98 CO 0.00 -0.29 0.86 0.35 0.00 0.00 0.00 175.76 176.68 1krw h PHE 99 N 5.12 -0.08 0.00 0.00 3.57 0.27 -3.36 116.94 122.46 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 1.19 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1krw h PHE 99 CO 0.21 0.51 0.00 -3.47 -2.23 0.00 0.00 178.31 173.33 1krw n ASP 100 N -4.80 0.00 -4.09 0.41 -0.08 -1.16 -4.98 116.55 101.84 1krw n ASP 100 Ca -0.08 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.08 1krw n ASP 100 Cb 0.31 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.66 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krw s TYR 101 N -3.00 0.73 -0.26 -0.67 1.51 -1.26 -2.34 117.35 112.06 1krw s TYR 101 Ca 0.00 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.33 1krw s TYR 101 Cb 0.00 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 1krw s TYR 101 CO 0.00 -0.11 0.13 -0.51 -1.11 0.00 0.00 175.55 173.95 1krw s LEU 102 N -2.04 3.76 0.00 -1.29 2.01 -0.59 -4.97 118.68 115.56 1krw s LEU 102 Ca -0.03 -0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.02 1krw s LEU 102 Cb -0.05 -2.03 0.00 0.00 0.01 0.00 0.00 46.19 44.12 1krw s LEU 102 CO -0.01 -0.03 0.39 -0.81 1.01 0.00 0.00 176.35 176.90 1krw n PRO 103 N 4.89 0.00 -0.04 1.29 -0.04 -1.26 -3.98 135.00 135.87 1krw n PRO 103 Ca -0.15 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.30 1krw n PRO 103 Cb 0.52 -0.91 -0.02 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.69 0.30 -1.82 0.54 3.00 -1.26 -4.81 118.16 113.42 1krw n LYS 104 Ca 0.00 0.12 -0.30 0.00 -0.00 0.00 0.00 58.31 58.13 1krw n LYS 104 Cb 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 35.03 34.05 1krw n LYS 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1krw s PRO 105 N -2.47 2.97 0.00 1.64 0.04 -1.26 -4.94 135.00 130.99 1krw s PRO 105 Ca -0.17 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1krw s PRO 105 Cb 0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1krw s PRO 105 CO 0.25 -0.98 0.00 1.97 0.04 0.00 0.00 177.00 178.27 1krw n PHE 106 N -3.00 0.00 -1.01 0.56 -1.74 -1.26 -4.79 117.46 106.22 1krw n PHE 106 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 1krw n PHE 106 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1krw n ASP 107 N 0.00 -0.97 -0.12 5.98 5.68 -1.26 0.14 116.55 126.00 1krw n ASP 107 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 1krw n ASP 107 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1krw n ASP 107 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1krw h ILE 108 N 0.00 1.27 -0.18 2.12 5.03 -2.02 0.45 117.51 124.18 1krw h ILE 108 Ca 0.00 -1.05 0.04 0.00 -0.12 0.00 0.00 64.86 63.73 1krw h ILE 108 Cb 0.00 1.22 -0.07 0.00 -3.03 0.00 0.00 36.82 34.94 1krw h ILE 108 CO 0.00 0.35 -0.48 -0.78 -0.68 0.00 0.00 178.15 176.56 1krw h ASP 109 N 0.47 -1.52 0.71 1.72 1.82 -1.98 1.10 116.42 118.74 1krw h ASP 109 Ca 0.10 0.20 -0.22 0.00 -0.39 0.00 0.00 57.03 56.71 1krw h ASP 109 Cb 0.51 0.61 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1krw h ASP 109 CO 0.02 -0.44 -1.01 -0.33 -1.61 0.00 0.00 179.24 175.87 1krw h GLU 110 N -0.50 0.16 0.69 0.28 4.39 -0.33 -2.26 114.58 117.01 1krw h GLU 110 Ca 0.07 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1krw h GLU 110 Cb 0.65 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1krw h GLU 110 CO -0.45 1.04 -0.33 0.00 -1.16 0.00 0.00 179.01 178.11 1krw h ALA 111 N 0.87 -0.92 -0.04 3.43 0.00 0.35 0.15 119.26 123.10 1krw h ALA 111 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1krw h ALA 111 Cb 1.71 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1krw h ALA 111 CO 0.15 -0.87 0.03 0.28 0.00 0.00 0.00 179.25 178.84 1krw h VAL 112 N -1.22 0.96 -0.19 0.00 2.07 0.11 0.41 116.25 118.39 1krw h VAL 112 Ca -0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1krw h VAL 112 Cb 0.72 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1krw h VAL 112 CO 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 1krw h ALA 113 N 1.98 0.26 0.00 1.67 0.00 -1.25 -1.20 119.26 120.72 1krw h ALA 113 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1krw h ALA 113 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1krw h ALA 113 CO -0.00 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.43 1krw h LEU 114 N 0.10 0.00 0.03 0.00 5.85 0.59 -2.84 115.31 119.04 1krw h LEU 114 Ca 0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1krw h LEU 114 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1krw h LEU 114 CO 0.01 0.06 -0.22 1.62 -0.34 0.00 0.00 178.44 179.57 1krw h VAL 115 N 0.00 1.69 -0.64 1.05 3.04 -0.00 -3.12 116.25 118.27 1krw h VAL 115 Ca -0.00 -2.32 -0.05 0.00 -1.01 0.00 0.00 66.70 63.32 1krw h VAL 115 Cb 0.78 3.26 -0.03 0.00 -2.01 0.00 0.00 31.29 33.29 1krw h VAL 115 CO 0.01 0.62 0.20 -0.33 -1.01 0.00 0.00 177.57 177.06 1krw h GLU 116 N -0.78 0.97 0.00 4.17 5.08 -1.28 -1.85 114.58 120.88 1krw h GLU 116 Ca -0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1krw h GLU 116 Cb 1.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1krw h GLU 116 CO 0.04 0.83 -0.13 0.00 -1.00 0.00 0.00 179.01 178.75 1krw h ARG 117 N 0.94 0.00 -0.09 2.33 2.47 -1.62 -2.08 114.38 116.33 1krw h ARG 117 Ca 0.21 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.69 1krw h ARG 117 Cb 0.26 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1krw h ARG 117 CO -0.01 0.13 -0.88 0.00 0.56 0.00 0.00 179.97 179.77 1krw h ALA 118 N 1.87 0.26 -0.02 0.04 0.00 -1.27 -2.90 119.26 117.24 1krw h ALA 118 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1krw h ALA 118 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1krw h ALA 118 CO 0.02 0.69 -0.59 0.82 0.00 0.00 0.00 179.25 180.19 1krw h ILE 119 N 0.47 1.41 -0.30 0.00 2.04 -1.23 -3.01 117.51 116.90 1krw h ILE 119 Ca -0.08 -2.00 -0.11 0.00 1.00 0.00 0.00 64.86 63.67 1krw h ILE 119 Cb 1.52 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 1krw h ILE 119 CO 0.18 0.58 -0.26 -1.28 0.00 0.00 0.00 178.15 177.36 1krw h SER 120 N 0.04 0.60 0.63 1.72 0.87 -1.38 -2.67 113.55 113.36 1krw h SER 120 Ca -0.01 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.27 1krw h SER 120 Cb 1.05 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1krw h SER 120 CO 0.08 0.84 -0.31 0.45 -0.53 0.00 0.00 176.83 177.36 1krw h HIS 121 N 0.52 0.00 0.12 2.24 3.86 -1.38 -3.21 115.15 117.30 1krw h HIS 121 Ca 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1krw h HIS 121 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1krw h HIS 121 CO 0.03 0.31 -0.06 -0.92 0.86 0.00 0.00 177.93 178.15 1krw h TYR 122 N 0.00 -0.15 -2.44 2.45 5.03 -1.43 -3.46 116.97 116.98 1krw h TYR 122 Ca -0.00 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.18 1krw h TYR 122 Cb 0.71 0.05 0.05 0.00 1.55 0.00 0.00 36.73 39.10 1krw h TYR 122 CO 0.00 0.33 0.10 0.00 -1.32 0.00 0.00 178.16 177.28 1krw n GLN 123 N -4.88 -0.67 0.00 1.82 10.64 -1.04 -5.14 117.38 118.11 1krw n GLN 123 Ca -0.08 -0.59 0.14 0.00 -1.83 0.00 0.00 57.00 54.64 1krw n GLN 123 Cb 0.28 -0.43 0.59 0.00 -0.86 0.00 0.00 30.24 29.82 1krw n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32