#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw n GLN 2 N 0.00 0.95 0.05 0.03 7.27 -1.26 -4.61 117.38 119.81 1krw n GLN 2 Ca 0.00 -0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.10 1krw n GLN 2 Cb 0.00 -1.01 0.19 0.00 2.41 0.00 0.00 30.24 31.83 1krw n GLN 2 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1krw n ARG 3 N -1.64 0.05 -0.87 3.69 0.00 -1.26 -4.86 116.66 111.77 1krw n ARG 3 Ca -0.00 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 1krw n ARG 3 Cb 0.13 -1.66 0.00 0.00 -0.00 0.00 0.00 32.46 30.94 1krw n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1krw n GLY 4 N -1.43 -1.63 3.04 2.89 0.00 -1.26 -4.54 105.19 102.26 1krw n GLY 4 Ca -0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 1.95 -0.20 -0.61 -1.09 -1.26 0.78 121.20 120.76 1krw s ILE 5 Ca 0.00 -1.34 -0.07 0.00 -2.23 0.00 0.00 60.65 57.02 1krw s ILE 5 Cb 0.00 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1krw s ILE 5 CO 0.00 0.09 0.04 0.54 -1.23 0.00 0.00 174.94 174.38 1krw s VAL 6 N 1.24 4.46 -0.16 2.92 0.11 0.41 0.23 120.40 129.60 1krw s VAL 6 Ca -0.05 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1krw s VAL 6 Cb -0.18 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.64 1krw s VAL 6 CO -0.07 0.43 -0.12 0.26 -3.33 0.00 0.00 175.10 172.27 1krw s TRP 7 N 0.74 2.84 -0.07 1.54 0.52 -1.14 -1.80 118.94 121.58 1krw s TRP 7 Ca 0.02 -0.89 0.03 0.00 0.02 0.00 0.00 56.10 55.29 1krw s TRP 7 Cb -0.14 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1krw s TRP 7 CO 0.02 -0.40 -0.17 0.08 0.02 0.00 0.00 176.95 176.50 1krw s VAL 8 N 0.82 2.80 -0.29 4.03 1.01 0.41 -1.75 120.40 127.43 1krw s VAL 8 Ca -0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1krw s VAL 8 Cb -0.15 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1krw s VAL 8 CO 0.01 0.57 -0.02 0.68 0.00 0.00 0.00 175.10 176.34 1krw s VAL 9 N -0.34 2.90 0.00 2.92 -7.23 -0.27 -0.09 120.40 118.30 1krw s VAL 9 Ca 0.03 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1krw s VAL 9 Cb -0.13 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1krw s VAL 9 CO 0.02 -0.06 0.00 -0.67 -0.31 0.00 0.00 175.10 174.09 1krw n ASP 10 N 4.61 0.00 0.00 4.85 -0.08 -0.91 -1.96 116.55 123.07 1krw n ASP 10 Ca -0.14 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.21 1krw n ASP 10 Cb 0.44 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.27 1krw n ASP 10 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1krw n ASP 11 N 0.00 0.00 0.00 1.67 8.00 -1.26 -4.04 116.55 120.92 1krw n ASP 11 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1krw n ASP 11 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1krw n ASP 12 N -1.01 -0.68 0.00 -2.24 -0.08 -1.26 -4.73 116.55 106.54 1krw n ASP 12 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1krw n ASP 12 Cb 0.04 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 -1.42 0.00 0.12 1.67 3.41 -1.26 -0.25 113.62 115.89 1krw n SER 13 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1krw n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1krw h SER 14 N 0.00 -1.19 0.10 4.04 0.87 -1.99 0.62 113.55 116.00 1krw h SER 14 Ca 0.00 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1krw h SER 14 Cb 0.00 0.44 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1krw h SER 14 CO 0.00 -0.48 -0.04 0.40 -0.53 0.00 0.00 176.83 176.17 1krw h ILE 15 N -0.65 0.65 0.04 2.23 1.08 -0.95 -1.71 117.51 118.20 1krw h ILE 15 Ca 0.02 -0.18 -0.17 0.00 -0.39 0.00 0.00 64.86 64.15 1krw h ILE 15 Cb 0.67 1.11 0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1krw h ILE 15 CO -0.23 0.04 -0.67 -0.09 -0.69 0.00 0.00 178.15 176.52 1krw h ARG 16 N 0.00 0.38 -0.71 2.37 2.43 -0.97 -2.88 114.38 115.00 1krw h ARG 16 Ca -0.00 -0.47 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1krw h ARG 16 Cb 0.10 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1krw h ARG 16 CO 0.01 1.15 0.20 2.35 -1.51 0.00 0.00 179.97 182.17 1krw h TRP 17 N -0.18 1.16 -0.26 2.20 7.01 0.74 0.42 115.95 127.04 1krw h TRP 17 Ca -0.10 -0.13 -0.16 0.00 2.11 0.00 0.00 58.89 60.62 1krw h TRP 17 Cb 1.42 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 1krw h TRP 17 CO 0.16 0.93 -0.48 0.28 -2.79 0.00 0.00 178.44 176.54 1krw h VAL 18 N 1.05 1.30 0.00 2.65 2.07 -1.43 -2.95 116.25 118.94 1krw h VAL 18 Ca 0.23 -1.68 -0.23 0.00 0.82 0.00 0.00 66.70 65.84 1krw h VAL 18 Cb 0.33 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1krw h VAL 18 CO -0.00 0.54 -1.24 0.25 0.02 0.00 0.00 177.57 177.14 1krw h LEU 19 N 0.55 0.00 0.61 2.57 7.12 -1.40 -3.21 115.31 121.55 1krw h LEU 19 Ca 0.03 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 1krw h LEU 19 Cb 1.03 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1krw h LEU 19 CO 0.10 0.93 -0.29 1.05 -0.13 0.00 0.00 178.44 180.10 1krw h GLU 20 N 0.00 -0.79 0.28 1.25 4.11 -0.18 -1.86 114.58 117.40 1krw h GLU 20 Ca -0.12 0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1krw h GLU 20 Cb 1.81 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1krw h GLU 20 CO 0.10 -0.53 -0.22 0.00 0.07 0.00 0.00 179.01 178.43 1krw h ARG 21 N -1.19 -0.49 0.02 1.06 2.47 -1.70 0.88 114.38 115.43 1krw h ARG 21 Ca -0.08 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1krw h ARG 21 Cb 0.63 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 1krw h ARG 21 CO 0.14 -0.33 -0.25 0.00 0.56 0.00 0.00 179.97 180.10 1krw h ALA 22 N 0.16 -0.35 0.00 0.04 0.00 -1.68 0.18 119.26 117.61 1krw h ALA 22 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1krw h ALA 22 Cb 0.45 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1krw h ALA 22 CO -0.01 -0.75 -0.25 1.25 0.00 0.00 0.00 179.25 179.49 1krw h LEU 23 N -0.39 0.00 -0.96 0.00 7.12 -1.26 -1.57 115.31 118.25 1krw h LEU 23 Ca 0.06 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.97 1krw h LEU 23 Cb 0.47 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1krw h LEU 23 CO -0.20 0.25 -0.24 0.00 -0.13 0.00 0.00 178.44 178.12 1krw h ALA 24 N 1.75 1.12 0.00 1.25 0.00 0.22 -1.46 119.26 122.14 1krw h ALA 24 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1krw h ALA 24 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1krw h ALA 24 CO 0.03 0.55 -0.02 0.78 0.00 0.00 0.00 179.25 180.59 1krw h GLY 25 N 1.01 0.00 2.00 0.00 0.00 0.34 0.21 103.07 106.63 1krw h GLY 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1krw h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krw h ALA 26 N 1.98 1.00 0.00 3.60 0.00 -1.24 -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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 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 0.91 1.24 3.49 0.00 0.00 0.73 -5.11 105.19 106.46 1krw n GLY 27 Ca 0.04 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 2.56 0.12 0.99 1.02 -1.20 -4.78 118.68 117.39 1krw s LEU 28 Ca 0.00 -1.26 -0.25 0.00 0.02 0.00 0.00 54.13 52.65 1krw s LEU 28 Cb 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 46.19 45.42 1krw s LEU 28 CO 0.00 -0.38 0.75 -0.89 0.02 0.00 0.00 176.35 175.86 1krw s THR 29 N -2.92 4.50 -0.17 5.49 2.01 0.23 -4.19 115.64 120.60 1krw s THR 29 Ca 0.32 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.96 1krw s THR 29 Cb 0.05 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.49 1krw s THR 29 CO 0.15 0.49 -0.09 0.00 -0.69 0.00 0.00 174.62 174.48 1krw s THR 31 N 1.54 1.14 0.34 0.00 -1.32 -0.74 -4.87 115.64 111.73 1krw s THR 31 Ca 0.01 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.06 1krw s THR 31 Cb -0.15 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1krw s THR 31 CO -0.08 0.35 0.23 0.42 -2.21 0.00 0.00 174.62 173.32 1krw s THR 32 N 0.42 3.31 0.28 5.08 -4.23 -1.25 -0.44 115.64 118.81 1krw s THR 32 Ca -0.10 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 1krw s THR 32 Cb -0.13 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1krw s THR 32 CO 0.03 -0.18 0.13 -0.36 -0.54 0.00 0.00 174.62 173.70 1krw s PHE 33 N -2.36 1.56 0.39 3.99 0.40 0.87 -4.90 117.98 117.94 1krw s PHE 33 Ca 0.40 -1.27 0.09 0.00 -0.60 0.00 0.00 56.93 55.54 1krw s PHE 33 Cb -0.04 -0.88 0.79 0.00 0.51 0.00 0.00 43.02 43.40 1krw s PHE 33 CO 0.25 -0.42 1.94 1.05 0.70 0.00 0.00 175.22 178.74 1krw h GLU 34 N 2.30 0.32 -1.98 0.44 9.09 -1.90 -2.41 114.58 120.45 1krw h GLU 34 Ca -0.36 -0.06 0.41 0.00 0.05 0.00 0.00 59.36 59.40 1krw h GLU 34 Cb 1.25 -0.05 -0.08 0.00 -1.65 0.00 0.00 28.75 28.22 1krw h GLU 34 CO 0.57 0.38 1.01 0.54 0.05 0.00 0.00 179.01 181.56 1krw s ASN 35 N -6.84 0.00 0.01 3.06 4.22 -1.26 -4.41 114.94 109.73 1krw s ASN 35 Ca -0.06 -0.03 0.01 0.00 -2.14 0.00 0.00 52.86 50.63 1krw s ASN 35 Cb 0.16 0.02 0.04 0.00 1.28 0.00 0.00 41.25 42.75 1krw s ASN 35 CO 0.73 -0.05 0.90 0.61 -2.04 0.00 0.00 177.10 177.26 1krw n GLY 36 N -0.96 -0.39 0.12 0.45 0.00 -1.26 -1.95 105.19 101.20 1krw n GLY 36 Ca 0.06 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 0.36 0.11 1.61 -0.26 -1.97 -3.35 115.58 112.08 1krw h ASN 37 Ca 0.00 -0.86 0.02 0.00 -0.56 0.00 0.00 56.30 54.89 1krw h ASN 37 Cb 0.25 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1krw h ASN 37 CO 0.00 1.53 -0.48 -0.08 -1.06 0.00 0.00 177.43 177.34 1krw h GLU 38 N -0.39 -0.68 -1.05 0.81 4.81 -1.78 -1.65 114.58 114.65 1krw h GLU 38 Ca -0.25 0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.30 1krw h GLU 38 Cb 1.67 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 31.09 1krw h GLU 38 CO 0.06 -0.45 0.65 0.28 -0.73 0.00 0.00 179.01 178.82 1krw h VAL 39 N -0.70 0.46 -0.85 0.32 2.07 -1.76 0.41 116.25 116.19 1krw h VAL 39 Ca 0.01 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1krw h VAL 39 Cb 0.72 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1krw h VAL 39 CO -0.28 0.08 0.52 -0.07 0.02 0.00 0.00 177.57 177.85 1krw h LEU 40 N 0.42 0.82 -0.04 2.57 3.38 -1.44 1.04 115.31 122.06 1krw h LEU 40 Ca 0.65 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.60 1krw h LEU 40 Cb 1.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1krw h LEU 40 CO -0.42 0.52 -0.14 0.00 0.09 0.00 0.00 178.44 178.50 1krw h ALA 41 N 1.41 0.07 0.00 1.53 0.00 -0.05 -3.15 119.26 119.06 1krw h ALA 41 Ca 0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1krw h ALA 41 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1krw h ALA 41 CO -0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.00 1krw h ALA 42 N 0.40 1.76 0.00 0.00 0.00 -0.65 -1.79 119.26 118.98 1krw h ALA 42 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1krw h ALA 42 Cb 0.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1krw h ALA 42 CO 0.03 0.08 -0.14 -0.07 0.00 0.00 0.00 179.25 179.15 1krw h LEU 43 N 0.00 0.00 -1.68 0.00 3.38 0.12 -2.57 115.31 114.56 1krw h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 43 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1krw h LEU 43 CO 0.01 0.14 0.05 0.00 0.09 0.00 0.00 178.44 178.73 1krw h ALA 44 N 1.86 1.04 0.00 1.53 0.00 -1.37 -1.83 119.26 120.49 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 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1krw h ALA 44 CO 0.02 -0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.66 1krw n SER 45 N -2.41 0.60 -3.46 0.00 7.64 -0.98 -5.08 113.62 109.93 1krw n SER 45 Ca -0.02 -0.90 -0.10 0.00 1.01 0.00 0.00 58.87 58.86 1krw n SER 45 Cb 0.09 0.11 -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 -0.11 1.06 -0.10 1.43 2.36 -0.69 -5.16 119.74 118.53 1krw s LYS 46 Ca 0.00 -0.38 -0.03 0.00 -2.55 0.00 0.00 55.97 53.01 1krw s LYS 46 Cb 0.00 0.49 0.04 0.00 -1.05 0.00 0.00 37.83 37.31 1krw s LYS 46 CO 0.00 -0.46 0.06 0.99 1.55 0.00 0.00 175.35 177.49 1krw s THR 47 N -3.43 -0.00 0.72 3.43 2.01 -1.26 -3.97 115.64 113.14 1krw s THR 47 Ca 0.03 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1krw s THR 47 Cb -0.01 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.13 1krw s THR 47 CO -0.11 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.75 1krw s PRO 48 N 2.11 2.71 0.45 4.92 0.04 -1.26 -4.77 135.00 139.20 1krw s PRO 48 Ca 0.04 0.65 0.25 0.00 0.04 0.00 0.00 61.00 61.97 1krw s PRO 48 Cb -0.14 -1.99 0.79 0.00 0.04 0.00 0.00 34.50 33.20 1krw s PRO 48 CO -0.06 -1.18 1.77 -0.44 0.04 0.00 0.00 177.00 177.13 1krw h ASP 49 N -0.77 0.00 -5.35 6.66 5.19 -0.53 -3.46 116.42 118.16 1krw h ASP 49 Ca -0.45 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.84 1krw h ASP 49 Cb 1.24 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.64 1krw h ASP 49 CO 0.61 0.15 -0.30 0.54 -3.12 0.00 0.00 179.24 177.13 1krw s VAL 50 N -3.46 0.01 -0.19 -1.35 0.11 -1.12 -4.63 120.40 109.77 1krw s VAL 50 Ca 0.03 -1.59 -0.10 0.00 -2.93 0.00 0.00 61.98 57.39 1krw s VAL 50 Cb 0.08 -2.25 0.06 0.00 -1.53 0.00 0.00 36.38 32.75 1krw s VAL 50 CO 0.63 -0.04 0.46 -0.22 -3.33 0.00 0.00 175.10 172.61 1krw s LEU 51 N -3.06 -0.24 -0.15 2.54 2.96 -0.60 -2.87 118.68 117.26 1krw s LEU 51 Ca 0.27 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1krw s LEU 51 Cb 0.02 1.52 -0.01 0.00 0.50 0.00 0.00 46.19 48.22 1krw s LEU 51 CO 0.09 -0.20 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.01 1krw s LEU 52 N 1.46 2.54 -0.13 -0.68 1.43 -0.72 0.12 118.68 122.70 1krw s LEU 52 Ca -0.10 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1krw s LEU 52 Cb -0.08 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1krw s LEU 52 CO -0.14 0.11 -0.21 -0.55 0.23 0.00 0.00 176.35 175.79 1krw s SER 53 N 0.68 3.21 -0.66 2.29 0.15 0.45 -1.11 113.70 118.72 1krw s SER 53 Ca -0.07 -0.57 -0.26 0.00 0.70 0.00 0.00 55.95 55.76 1krw s SER 53 Cb -0.16 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1krw s SER 53 CO 0.02 0.10 1.13 -0.62 1.20 0.00 0.00 173.24 175.07 1krw s ASP 54 N 0.69 6.24 -0.80 5.45 2.15 -0.83 -3.01 116.67 126.55 1krw s ASP 54 Ca -0.10 -0.49 -0.25 0.00 0.43 0.00 0.00 52.55 52.14 1krw s ASP 54 Cb -0.16 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1krw s ASP 54 CO 0.01 -1.58 1.97 -0.51 -0.17 0.00 0.00 175.17 174.90 1krw s ILE 55 N 4.87 3.38 -0.41 4.11 2.07 -1.26 -4.79 121.20 129.17 1krw s ILE 55 Ca 0.32 -0.18 0.11 0.00 -1.41 0.00 0.00 60.65 59.49 1krw s ILE 55 Cb -0.11 -3.89 0.36 0.00 0.13 0.00 0.00 42.46 38.95 1krw s ILE 55 CO 0.16 -0.84 0.80 -2.11 -1.91 0.00 0.00 174.94 171.04 1krw n ARG 56 N 8.95 1.50 -4.30 3.50 1.85 -1.21 -4.78 116.66 122.18 1krw n ARG 56 Ca 0.35 -3.70 -0.32 0.00 -1.00 0.00 0.00 57.85 53.19 1krw n ARG 56 Cb 0.48 -1.80 -0.09 0.00 -1.05 0.00 0.00 32.46 30.01 1krw n ARG 56 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1krw n MET 57 N 0.13 -1.22 0.00 2.89 0.00 -0.21 -4.89 117.12 113.82 1krw n MET 57 Ca 0.25 0.13 0.00 0.00 0.00 0.00 0.00 57.70 58.09 1krw n MET 57 Cb 0.62 -3.81 0.00 0.00 0.00 0.00 0.00 33.22 30.02 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 -4.52 0.00 -0.03 3.17 -0.04 -1.26 -4.61 135.00 127.72 1krw n PRO 58 Ca -0.28 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.20 1krw n PRO 58 Cb 0.67 -0.73 -0.11 0.00 -0.04 0.00 0.00 33.50 33.30 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 1.08 -0.64 2.73 0.55 0.00 -1.26 -4.83 105.19 102.83 1krw n GLY 59 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.17 0.69 0.00 1.61 0.00 -1.26 -4.90 117.12 111.08 1krw n MET 60 Ca -0.09 -1.57 0.00 0.00 -0.00 0.00 0.00 57.70 56.04 1krw n MET 60 Cb 0.57 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.57 1krw n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krw n ASP 61 N 1.52 0.00 0.00 6.12 -0.08 -1.26 -2.21 116.55 120.64 1krw n ASP 61 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1krw n ASP 61 Cb 0.65 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1krw n GLY 62 N -0.50 1.45 0.05 0.27 0.00 -1.26 -1.04 105.19 104.15 1krw n GLY 62 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1krw n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1krw n LEU 63 N 0.00 0.35 0.07 0.99 4.32 -0.94 -3.18 117.00 118.61 1krw n LEU 63 Ca 0.00 0.55 0.20 0.00 -0.02 0.00 0.00 56.01 56.75 1krw n LEU 63 Cb 0.00 -0.47 0.74 0.00 -1.62 0.00 0.00 43.42 42.08 1krw n LEU 63 CO 0.00 -0.22 1.18 0.00 -1.22 0.00 0.00 177.39 177.13 1krw h ALA 64 N 2.61 2.20 0.73 -1.18 0.00 -1.87 -1.79 119.26 119.96 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 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1krw h ALA 64 CO 0.00 -0.64 -0.39 1.25 0.00 0.00 0.00 179.25 179.47 1krw h LEU 65 N 0.00 -0.95 -0.94 0.00 5.85 -1.86 -2.76 115.31 114.66 1krw h LEU 65 Ca 0.21 0.04 0.29 0.00 0.84 0.00 0.00 57.88 59.25 1krw h LEU 65 Cb 1.03 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 42.16 1krw h LEU 65 CO -0.00 -0.63 0.30 -0.07 -0.34 0.00 0.00 178.44 177.70 1krw h LEU 66 N -1.03 0.05 0.27 2.25 3.38 -1.58 0.11 115.31 118.76 1krw h LEU 66 Ca -0.10 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1krw h LEU 66 Cb 0.80 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1krw h LEU 66 CO 0.14 -0.23 -0.43 0.11 0.09 0.00 0.00 178.44 178.12 1krw h LYS 67 N 0.16 -0.74 0.00 1.13 1.57 -1.40 -1.53 116.57 115.76 1krw h LYS 67 Ca 0.64 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.45 1krw h LYS 67 Cb 1.41 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 1krw h LYS 67 CO -0.71 -0.49 -0.09 1.96 -0.57 0.00 0.00 179.45 179.54 1krw h GLN 68 N -0.77 0.00 -0.65 3.15 1.08 -0.78 -2.42 115.11 114.72 1krw h GLN 68 Ca -0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1krw h GLN 68 Cb 0.73 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 1krw h GLN 68 CO -0.16 0.09 0.27 0.82 -0.95 0.00 0.00 178.83 178.90 1krw h ILE 69 N 0.00 1.24 0.00 2.54 2.04 -0.13 -2.13 117.51 121.07 1krw h ILE 69 Ca -0.00 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1krw h ILE 69 Cb 0.17 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1krw h ILE 69 CO 0.01 0.29 -0.35 0.07 0.00 0.00 0.00 178.15 178.17 1krw h LYS 70 N 0.91 0.00 -0.44 2.37 2.10 -0.83 0.30 116.57 120.98 1krw h LYS 70 Ca 0.22 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.74 1krw h LYS 70 Cb 0.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1krw h LYS 70 CO -0.02 0.35 -0.23 1.96 -2.00 0.00 0.00 179.45 179.51 1krw h GLN 71 N 0.00 0.94 0.00 0.07 4.20 -1.27 -3.24 115.11 115.80 1krw h GLN 71 Ca -0.00 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1krw h GLN 71 Cb 0.65 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1krw h GLN 71 CO 0.05 1.08 0.00 0.54 -0.67 0.00 0.00 178.83 179.83 1krw n ARG 72 N -4.15 0.00 -3.71 1.46 1.74 -0.85 -4.84 116.66 106.31 1krw n ARG 72 Ca -0.01 0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 1krw n ARG 72 Cb 0.46 -0.36 -0.08 0.00 -1.02 0.00 0.00 32.46 31.46 1krw n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1krw n HIS 73 N -1.60 3.79 -0.55 -1.55 1.44 0.96 -4.97 115.22 112.74 1krw n HIS 73 Ca 0.00 -4.17 -0.07 0.00 -2.01 0.00 0.00 57.72 51.47 1krw n HIS 73 Cb 0.00 -0.91 -0.09 0.00 0.12 0.00 0.00 29.99 29.11 1krw n HIS 73 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1krw n PRO 74 N 2.04 1.11 0.00 -1.40 -0.04 -0.69 -2.67 135.00 133.36 1krw n PRO 74 Ca 0.22 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1krw n PRO 74 Cb 0.36 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.77 0.00 -1.63 0.54 2.81 -0.41 -4.44 117.12 116.76 1krw n MET 75 Ca 0.24 0.00 -0.56 0.00 -1.81 0.00 0.00 57.70 55.57 1krw n MET 75 Cb 0.49 -0.23 -0.07 0.00 -0.71 0.00 0.00 33.22 32.69 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 -1.19 2.34 -4.74 4.03 -0.00 -1.09 -4.49 117.00 111.85 1krw n LEU 76 Ca 0.00 0.91 -0.41 0.00 -0.00 0.00 0.00 56.01 56.51 1krw n LEU 76 Cb 0.00 -1.17 -0.02 0.00 -0.00 0.00 0.00 43.42 42.23 1krw n LEU 76 CO 0.00 -0.47 1.14 -2.16 -0.00 0.00 0.00 177.39 175.90 1krw s PRO 77 N 4.29 4.24 0.03 1.96 0.04 -1.24 -4.52 135.00 139.79 1krw s PRO 77 Ca 1.02 2.35 0.08 0.00 0.04 0.00 0.00 61.00 64.49 1krw s PRO 77 Cb -1.02 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 1krw s PRO 77 CO 0.62 -0.48 -0.24 0.08 0.04 0.00 0.00 177.00 177.02 1krw s VAL 78 N 0.15 1.90 -0.24 -0.36 1.01 -1.26 -1.56 120.40 120.05 1krw s VAL 78 Ca 0.61 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1krw s VAL 78 Cb -0.43 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.38 1krw s VAL 78 CO 0.42 0.34 -0.08 -0.63 0.00 0.00 0.00 175.10 175.16 1krw s ILE 79 N -0.75 1.71 0.05 2.22 1.01 0.32 -0.75 121.20 125.01 1krw s ILE 79 Ca 0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1krw s ILE 79 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1krw s ILE 79 CO 0.01 -0.04 0.23 -0.63 0.00 0.00 0.00 174.94 174.52 1krw s ILE 80 N 1.32 5.36 -0.07 2.92 -1.09 -1.18 -0.41 121.20 128.05 1krw s ILE 80 Ca -0.06 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1krw s ILE 80 Cb -0.19 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1krw s ILE 80 CO -0.06 0.20 0.29 -0.03 -1.23 0.00 0.00 174.94 174.11 1krw h MET 81 N 3.35 -0.24 -6.37 2.79 1.85 -1.85 -1.96 114.93 112.50 1krw h MET 81 Ca -0.47 0.02 -0.64 0.00 -0.61 0.00 0.00 59.70 58.00 1krw h MET 81 Cb 1.17 0.05 -0.12 0.00 0.43 0.00 0.00 31.60 33.14 1krw h MET 81 CO 0.72 -0.16 -0.67 0.99 -0.40 0.00 0.00 176.91 177.40 1krw s THR 82 N -2.35 3.87 0.00 -0.77 2.01 -1.26 -2.49 115.64 114.65 1krw s THR 82 Ca -0.04 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1krw s THR 82 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1krw s THR 82 CO 0.11 0.04 0.06 0.00 -0.69 0.00 0.00 174.62 174.14 1krw n ALA 83 N 0.34 0.45 0.11 7.40 0.00 -1.26 -4.78 120.51 122.77 1krw n ALA 83 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1krw n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.07 0.00 -3.15 0.00 8.25 -1.26 -3.65 115.22 115.33 1krw n HIS 84 Ca 0.00 -0.44 0.04 0.00 -0.26 0.00 0.00 57.72 57.05 1krw n HIS 84 Cb 0.13 -0.30 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 1krw n HIS 84 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1krw s SER 85 N 1.54 -1.53 -0.97 0.41 1.04 -1.26 -4.93 113.70 108.00 1krw s SER 85 Ca 0.00 0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 1krw s SER 85 Cb 0.00 2.04 0.00 0.00 0.10 0.00 0.00 66.02 68.17 1krw s SER 85 CO 0.00 -0.29 0.39 -0.67 0.98 0.00 0.00 173.24 173.65 1krw n ASP 86 N 5.42 -4.42 0.15 7.02 2.03 -1.26 -4.83 116.55 120.66 1krw n ASP 86 Ca 0.04 -0.18 0.15 0.00 0.52 0.00 0.00 54.79 55.32 1krw n ASP 86 Cb 0.53 -3.28 0.49 0.00 -0.72 0.00 0.00 41.12 38.14 1krw n ASP 86 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1krw h LEU 87 N -0.90 0.00 -0.59 -2.67 6.46 -1.92 -2.00 115.31 113.69 1krw h LEU 87 Ca -0.33 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.55 1krw h LEU 87 Cb 1.23 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.05 1krw h LEU 87 CO 0.35 0.00 -0.16 0.44 -0.62 0.00 0.00 178.44 178.45 1krw h ASP 88 N 0.00 -0.60 0.07 1.25 5.19 -1.91 0.38 116.42 120.81 1krw h ASP 88 Ca 0.16 0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1krw h ASP 88 Cb 1.66 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 41.55 1krw h ASP 88 CO -0.00 -0.21 -0.00 0.00 -3.12 0.00 0.00 179.24 175.91 1krw h ALA 89 N 1.55 1.10 -0.14 3.45 0.00 -1.74 -1.15 119.26 122.32 1krw h ALA 89 Ca 0.28 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1krw h ALA 89 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1krw h ALA 89 CO -0.61 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.16 1krw h ALA 90 N 2.00 0.90 -0.01 0.00 0.00 -0.41 -3.05 119.26 118.68 1krw h ALA 90 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1krw h ALA 90 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1krw h ALA 90 CO 0.00 0.66 0.01 0.28 0.00 0.00 0.00 179.25 180.20 1krw h VAL 91 N 0.30 1.07 -0.01 0.00 2.07 -1.08 -1.59 116.25 117.01 1krw h VAL 91 Ca 0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1krw h VAL 91 Cb 0.96 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1krw h VAL 91 CO 0.08 0.06 0.02 0.28 0.02 0.00 0.00 177.57 178.02 1krw h SER 92 N -0.07 0.00 0.06 0.57 0.02 -1.60 -1.87 113.55 110.67 1krw h SER 92 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1krw h SER 92 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1krw h SER 92 CO -0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.66 1krw h ALA 93 N 1.98 -0.09 -0.23 3.77 0.00 -1.18 -2.20 119.26 121.31 1krw h ALA 93 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1krw h ALA 93 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1krw h ALA 93 CO -0.00 -0.42 0.30 1.88 0.00 0.00 0.00 179.25 181.01 1krw h TYR 94 N -0.34 0.00 0.00 0.00 0.05 -1.12 0.70 116.97 116.26 1krw h TYR 94 Ca -0.01 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 1krw h TYR 94 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1krw h TYR 94 CO 0.01 0.00 -0.84 0.37 -1.05 0.00 0.00 178.16 176.65 1krw h GLN 95 N 0.00 0.04 0.00 4.88 4.15 -1.34 -3.19 115.11 119.65 1krw h GLN 95 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1krw h GLN 95 Cb 0.72 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1krw h GLN 95 CO -0.00 0.86 -1.02 0.00 -1.93 0.00 0.00 178.83 176.73 1krw n GLN 96 N -3.57 0.51 0.00 1.69 10.64 0.21 -4.94 117.38 121.91 1krw n GLN 96 Ca -0.01 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1krw n GLN 96 Cb 0.80 -1.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.43 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 1.24 0.85 3.66 2.61 0.00 0.10 -1.28 105.19 112.37 1krw n GLY 97 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.77 -0.04 4.61 0.00 0.33 -3.67 120.51 122.52 1krw n ALA 98 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1krw n ALA 98 Cb 0.00 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.19 1krw n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krw h PHE 99 N 1.57 -0.04 0.00 0.00 3.57 -1.24 -3.42 116.94 117.38 1krw h PHE 99 Ca -0.47 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1krw h PHE 99 Cb 1.32 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1krw h PHE 99 CO 0.44 0.49 0.00 -0.40 -2.23 0.00 0.00 178.31 176.61 1krw n ASP 100 N -4.74 0.00 -4.05 0.41 5.75 -1.16 -5.01 116.55 107.75 1krw n ASP 100 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.63 1krw n ASP 100 Cb 0.27 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.25 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krw s TYR 101 N -3.00 0.48 -0.20 2.11 1.51 -1.26 -3.09 117.35 113.89 1krw s TYR 101 Ca 0.00 -0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 55.27 1krw s TYR 101 Cb 0.00 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1krw s TYR 101 CO 0.00 -0.22 0.09 -0.51 -1.11 0.00 0.00 175.55 173.80 1krw s LEU 102 N -2.05 3.86 0.00 -1.29 1.02 -0.74 -4.98 118.68 114.50 1krw s LEU 102 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.16 1krw s LEU 102 Cb -0.03 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1krw s LEU 102 CO -0.04 0.13 0.08 -0.81 0.02 0.00 0.00 176.35 175.74 1krw n PRO 103 N 3.83 0.00 -0.06 1.29 -0.04 -1.26 -3.99 135.00 134.77 1krw n PRO 103 Ca -0.16 0.27 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1krw n PRO 103 Cb 0.52 -0.82 -0.04 0.00 -0.04 0.00 0.00 33.50 33.12 1krw n PRO 103 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1krw n LYS 104 N -1.31 0.34 -0.94 0.54 5.02 -1.26 -4.86 118.16 115.69 1krw n LYS 104 Ca 0.00 0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 56.12 1krw n LYS 104 Cb 0.00 -1.08 0.13 0.00 -0.02 0.00 0.00 35.03 34.06 1krw n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1krw s PRO 105 N -2.46 1.54 0.00 1.97 0.04 -1.26 -4.97 135.00 129.86 1krw s PRO 105 Ca -0.20 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1krw s PRO 105 Cb 0.05 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1krw s PRO 105 CO 0.28 -2.21 0.00 0.34 0.04 0.00 0.00 177.00 175.44 1krw n PHE 106 N -3.93 0.00 -0.33 0.56 7.35 -1.26 -4.85 117.46 115.00 1krw n PHE 106 Ca 0.11 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.83 1krw n PHE 106 Cb 0.52 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.35 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 -1.30 -0.13 -2.13 5.68 -1.26 -2.17 116.55 115.24 1krw n ASP 107 Ca 0.00 0.10 -0.12 0.00 -0.50 0.00 0.00 54.79 54.28 1krw n ASP 107 Cb 0.00 -1.32 -0.02 0.00 -1.14 0.00 0.00 41.12 38.64 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 -0.42 1.28 -0.16 2.12 5.03 -1.96 -0.13 117.51 123.27 1krw h ILE 108 Ca -0.00 -1.27 0.04 0.00 -0.12 0.00 0.00 64.86 63.51 1krw h ILE 108 Cb 1.05 1.30 -0.07 0.00 -3.03 0.00 0.00 36.82 36.07 1krw h ILE 108 CO 0.00 0.42 -0.47 0.44 -0.68 0.00 0.00 178.15 177.86 1krw h ASP 109 N 0.57 -1.50 0.28 1.72 3.32 -1.98 1.33 116.42 120.16 1krw h ASP 109 Ca 0.09 0.19 -0.21 0.00 0.02 0.00 0.00 57.03 57.12 1krw h ASP 109 Cb 0.69 0.60 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1krw h ASP 109 CO 0.05 -0.45 -0.84 -0.33 -1.72 0.00 0.00 179.24 175.95 1krw h GLU 110 N -0.51 0.42 0.45 3.56 4.39 -1.50 -1.66 114.58 119.72 1krw h GLU 110 Ca 0.06 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 1krw h GLU 110 Cb 0.65 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1krw h GLU 110 CO -0.44 1.05 -0.21 0.00 -1.16 0.00 0.00 179.01 178.25 1krw h ALA 111 N 0.82 -0.60 -0.34 3.43 0.00 -0.50 -0.38 119.26 121.68 1krw h ALA 111 Ca -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1krw h ALA 111 Cb 1.45 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1krw h ALA 111 CO 0.15 -0.69 0.11 0.28 0.00 0.00 0.00 179.25 179.09 1krw h VAL 112 N -0.89 1.15 -0.32 0.00 2.07 0.16 0.43 116.25 118.86 1krw h VAL 112 Ca -0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1krw h VAL 112 Cb 0.57 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1krw h VAL 112 CO 0.10 0.18 0.17 0.00 0.02 0.00 0.00 177.57 178.04 1krw h ALA 113 N 1.64 0.41 0.00 1.67 0.00 -1.20 -0.61 119.26 121.17 1krw h ALA 113 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1krw h ALA 113 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1krw h ALA 113 CO -0.01 -0.05 -0.27 1.25 0.00 0.00 0.00 179.25 180.17 1krw h LEU 114 N 0.39 0.00 0.16 0.00 5.85 -0.47 -3.01 115.31 118.23 1krw h LEU 114 Ca 0.11 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 1krw h LEU 114 Cb 0.08 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.13 1krw h LEU 114 CO -0.02 0.27 -0.99 1.62 -0.34 0.00 0.00 178.44 178.98 1krw h VAL 115 N 0.00 1.44 -0.23 1.05 3.04 -0.55 -3.17 116.25 117.83 1krw h VAL 115 Ca -0.00 -2.53 -0.01 0.00 -1.01 0.00 0.00 66.70 63.14 1krw h VAL 115 Cb 0.94 3.08 -0.01 0.00 -2.01 0.00 0.00 31.29 33.29 1krw h VAL 115 CO 0.03 0.73 0.10 -0.33 -1.01 0.00 0.00 177.57 177.10 1krw h GLU 116 N -0.18 0.33 0.00 4.17 5.08 -1.17 -1.91 114.58 120.90 1krw h GLU 116 Ca -0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1krw h GLU 116 Cb 1.76 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1krw h GLU 116 CO 0.19 0.36 -0.00 0.07 -1.00 0.00 0.00 179.01 178.62 1krw h ARG 117 N 0.22 0.00 -0.02 2.33 0.11 -1.66 -0.36 114.38 115.01 1krw h ARG 117 Ca 0.08 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.11 1krw h ARG 117 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1krw h ARG 117 CO -0.01 0.00 -0.17 0.00 0.10 0.00 0.00 179.97 179.89 1krw h ALA 118 N 2.00 0.04 -0.12 0.08 0.00 -1.33 -1.72 119.26 118.21 1krw h ALA 118 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1krw h ALA 118 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1krw h ALA 118 CO 0.00 0.02 -0.39 0.82 0.00 0.00 0.00 179.25 179.69 1krw h ILE 119 N -0.51 1.30 0.29 0.00 2.04 -0.94 -2.58 117.51 117.11 1krw h ILE 119 Ca -0.02 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 1krw h ILE 119 Cb 0.88 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1krw h ILE 119 CO 0.03 0.45 -0.14 -1.28 0.00 0.00 0.00 178.15 177.21 1krw h SER 120 N 0.22 -0.32 -0.04 1.72 0.87 -1.13 -1.53 113.55 113.34 1krw h SER 120 Ca 0.02 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1krw h SER 120 Cb 0.80 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1krw h SER 120 CO 0.06 0.10 0.04 0.45 -0.53 0.00 0.00 176.83 176.96 1krw h HIS 121 N -0.83 0.00 0.10 2.24 3.86 -1.33 -1.47 115.15 117.72 1krw h HIS 121 Ca -0.04 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.90 1krw h HIS 121 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1krw h HIS 121 CO 0.04 0.00 -1.29 1.88 0.86 0.00 0.00 177.93 179.42 1krw h TYR 122 N 0.00 0.38 -3.81 2.45 0.05 -1.40 -3.46 116.97 111.18 1krw h TYR 122 Ca 0.02 -0.28 -0.43 0.00 0.05 0.00 0.00 58.73 58.09 1krw h TYR 122 Cb 0.10 -0.02 0.17 0.00 1.01 0.00 0.00 36.73 38.00 1krw h TYR 122 CO 0.00 1.25 0.29 -1.14 -1.05 0.00 0.00 178.16 177.51 1krw s GLN 123 N -2.65 -0.16 0.00 4.88 0.74 -0.55 -5.10 119.66 116.81 1krw s GLN 123 Ca -0.04 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1krw s GLN 123 Cb 0.08 -1.73 0.00 0.00 1.10 0.00 0.00 33.01 32.45 1krw s GLN 123 CO 0.86 -2.98 0.00 0.39 -0.55 0.00 0.00 175.29 173.01