#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk1 h ILE 15 N 0.00 0.00 -0.02 4.25 2.10 -1.94 0.30 117.51 122.20 1pk1 h ILE 15 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1pk1 h ILE 15 Cb 0.00 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 1pk1 h ILE 15 CO 0.00 0.00 -0.36 0.47 -1.08 0.00 0.00 178.15 177.18 1pk1 n ASP 16 N -2.71 2.19 -4.74 2.19 8.00 -1.26 -2.98 116.55 117.25 1pk1 n ASP 16 Ca -0.02 -1.59 -0.36 0.00 0.71 0.00 0.00 54.79 53.52 1pk1 n ASP 16 Cb 0.23 0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.75 1pk1 n ASP 16 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1pk1 s TRP 17 N -2.37 2.15 0.38 1.24 0.51 0.10 -4.83 118.94 116.11 1pk1 s TRP 17 Ca 0.21 1.51 -0.03 0.00 -2.12 0.00 0.00 56.10 55.67 1pk1 s TRP 17 Cb 0.19 -3.62 0.08 0.00 -0.81 0.00 0.00 33.47 29.31 1pk1 s TRP 17 CO 0.51 -2.71 0.52 0.25 -0.51 0.00 0.00 176.95 175.01 1pk1 n THR 18 N -1.93 0.00 0.03 2.01 -2.24 -1.26 -0.82 114.28 110.07 1pk1 n THR 18 Ca 0.15 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1pk1 n THR 18 Cb 0.49 -1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.26 1pk1 n THR 18 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pk1 h ILE 19 N -0.78 1.17 -0.45 2.28 2.04 -1.93 -2.05 117.51 117.79 1pk1 h ILE 19 Ca -0.17 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1pk1 h ILE 19 Cb 0.56 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1pk1 h ILE 19 CO 0.16 0.21 0.25 -0.33 0.00 0.00 0.00 178.15 178.44 1pk1 h GLU 20 N -0.47 0.61 -0.17 2.37 4.39 -1.95 -1.19 114.58 118.17 1pk1 h GLU 20 Ca -0.01 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1pk1 h GLU 20 Cb 0.41 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1pk1 h GLU 20 CO 0.01 0.44 -0.33 0.93 -1.16 0.00 0.00 179.01 178.91 1pk1 h GLU 21 N 0.62 0.33 -0.19 2.33 5.08 -1.91 -0.17 114.58 120.67 1pk1 h GLU 21 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1pk1 h GLU 21 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pk1 h GLU 21 CO -0.03 0.63 -0.33 0.28 -1.00 0.00 0.00 179.01 178.56 1pk1 h VAL 22 N 0.29 1.34 -0.48 3.13 2.07 -0.56 -1.89 116.25 120.15 1pk1 h VAL 22 Ca 0.04 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1pk1 h VAL 22 Cb 0.72 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1pk1 h VAL 22 CO 0.06 0.48 0.08 0.40 0.02 0.00 0.00 177.57 178.60 1pk1 h ILE 23 N 0.22 1.22 -0.15 4.57 2.04 -1.05 -1.96 117.51 122.40 1pk1 h ILE 23 Ca 0.01 -0.82 -0.15 0.00 1.00 0.00 0.00 64.86 64.90 1pk1 h ILE 23 Cb 0.92 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1pk1 h ILE 23 CO 0.07 0.30 -0.54 0.06 0.00 0.00 0.00 178.15 178.04 1pk1 h GLN 24 N 0.72 0.43 -0.14 2.37 3.07 -0.96 -1.46 115.11 119.14 1pk1 h GLN 24 Ca 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1pk1 h GLN 24 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1pk1 h GLN 24 CO 0.00 0.86 0.05 -0.92 0.09 0.00 0.00 178.83 178.92 1pk1 h TYR 25 N 0.33 0.21 -0.06 0.06 3.20 -0.86 0.06 116.97 119.92 1pk1 h TYR 25 Ca 0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1pk1 h TYR 25 Cb 1.05 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1pk1 h TYR 25 CO 0.03 0.30 0.01 0.82 -1.64 0.00 0.00 178.16 177.69 1pk1 h ILE 26 N 0.06 1.20 -0.10 1.81 1.08 -1.32 -2.90 117.51 117.34 1pk1 h ILE 26 Ca 0.04 -0.61 -0.12 0.00 -0.39 0.00 0.00 64.86 63.79 1pk1 h ILE 26 Cb 0.19 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1pk1 h ILE 26 CO -0.00 0.17 -0.46 1.05 -0.69 0.00 0.00 178.15 178.22 1pk1 h GLU 27 N -0.13 0.25 0.00 2.37 4.11 -1.29 -0.22 114.58 119.67 1pk1 h GLU 27 Ca 0.02 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 1pk1 h GLU 27 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pk1 h GLU 27 CO 0.00 0.66 -0.16 0.66 0.07 0.00 0.00 179.01 180.24 1pk1 h SER 28 N 0.20 0.00 0.16 3.06 4.64 -0.96 -2.42 113.55 118.23 1pk1 h SER 28 Ca 0.01 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.01 1pk1 h SER 28 Cb 0.89 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.92 1pk1 h SER 28 CO 0.07 0.16 -2.14 0.59 -0.87 0.00 0.00 176.83 174.64 1pk1 n ASN 29 N -3.44 0.27 -3.42 4.97 3.02 -1.10 -4.80 115.26 110.76 1pk1 n ASN 29 Ca -0.01 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 1pk1 n ASN 29 Cb 0.34 0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 40.13 1pk1 n ASN 29 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pk1 s ASP 30 N -5.61 2.08 0.54 6.41 -1.08 -0.11 -5.01 116.67 113.88 1pk1 s ASP 30 Ca -0.08 -1.31 0.21 0.00 -0.52 0.00 0.00 52.55 50.85 1pk1 s ASP 30 Cb 0.07 0.22 1.40 0.00 -1.46 0.00 0.00 42.92 43.15 1pk1 s ASP 30 CO 0.83 -0.35 2.11 -1.13 0.52 0.00 0.00 175.17 177.15 1pk1 h ASN 31 N 7.76 0.00 0.66 -0.34 -0.00 -1.68 -1.29 115.58 120.69 1pk1 h ASN 31 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1pk1 h ASN 31 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.36 1pk1 h ASN 31 CO 0.31 0.00 0.00 0.77 -0.00 0.00 0.00 177.43 178.51 1pk1 h SER 32 N 0.00 0.00 -0.04 1.15 4.64 -1.93 -2.12 113.55 115.25 1pk1 h SER 32 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1pk1 h SER 32 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pk1 h SER 32 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1pk1 n LEU 33 N -2.53 1.26 0.27 5.97 4.77 -0.49 -3.90 117.00 122.36 1pk1 n LEU 33 Ca 0.01 -0.45 0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1pk1 n LEU 33 Cb 0.21 -0.02 0.77 0.00 -2.33 0.00 0.00 43.42 42.06 1pk1 n LEU 33 CO 0.20 0.22 1.01 0.00 -1.33 0.00 0.00 177.39 177.50 1pk1 h ALA 34 N 4.22 1.35 0.00 -1.18 0.00 -1.52 -2.04 119.26 120.10 1pk1 h ALA 34 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pk1 h ALA 34 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pk1 h ALA 34 CO 0.00 0.11 0.00 -0.24 0.00 0.00 0.00 179.25 179.12 1pk1 h VAL 35 N 0.00 0.00 -0.19 0.00 3.04 -1.80 -1.11 116.25 116.18 1pk1 h VAL 35 Ca -0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1pk1 h VAL 35 Cb 0.25 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 1pk1 h VAL 35 CO 0.01 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.98 1pk1 n HIS 36 N -2.33 0.22 -0.12 3.17 -0.00 -0.76 -4.60 115.22 110.80 1pk1 n HIS 36 Ca -0.01 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.72 57.50 1pk1 n HIS 36 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 1pk1 n HIS 36 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1pk1 h GLY 37 N 4.66 -0.48 1.06 -1.41 0.00 -1.35 -0.80 103.07 104.75 1pk1 h GLY 37 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1pk1 h GLY 37 CO 0.00 -0.19 0.52 -0.55 0.00 0.00 0.00 176.54 176.32 1pk1 h ASP 38 N -0.31 0.82 -0.75 0.19 3.32 -1.83 -1.92 116.42 115.95 1pk1 h ASP 38 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1pk1 h ASP 38 Cb 0.58 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1pk1 h ASP 38 CO -0.56 0.56 0.42 0.25 -1.72 0.00 0.00 179.24 178.18 1pk1 h LEU 39 N 0.95 0.92 -1.14 1.55 5.85 -1.49 0.14 115.31 122.09 1pk1 h LEU 39 Ca 0.33 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1pk1 h LEU 39 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1pk1 h LEU 39 CO -0.10 0.75 -0.40 -0.26 -0.34 0.00 0.00 178.44 178.09 1pk1 h PHE 40 N 1.03 0.07 -0.18 1.25 -1.00 -0.56 -2.04 116.94 115.51 1pk1 h PHE 40 Ca 0.26 -0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.87 1pk1 h PHE 40 Cb 0.02 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1pk1 h PHE 40 CO -0.00 0.45 -0.50 0.00 -1.61 0.00 0.00 178.31 176.65 1pk1 h ARG 41 N 0.06 0.66 -0.28 1.51 3.08 -0.68 0.41 114.38 119.14 1pk1 h ARG 41 Ca 0.00 -0.47 0.04 0.00 0.07 0.00 0.00 59.98 59.62 1pk1 h ARG 41 Cb 0.73 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 1pk1 h ARG 41 CO 0.05 1.09 0.05 -0.22 -1.07 0.00 0.00 179.97 179.87 1pk1 h LYS 42 N 0.35 0.14 -0.18 0.04 1.63 -0.44 -1.64 116.57 116.48 1pk1 h LYS 42 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1pk1 h LYS 42 Cb 1.12 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1pk1 h LYS 42 CO 0.11 0.09 0.00 0.72 -3.45 0.00 0.00 179.45 176.92 1pk1 n HIS 43 N -5.10 0.24 -3.82 1.91 8.25 -0.80 -4.94 115.22 110.96 1pk1 n HIS 43 Ca -0.01 -0.12 -0.34 0.00 -0.26 0.00 0.00 57.72 57.00 1pk1 n HIS 43 Cb 0.12 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1pk1 n HIS 43 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pk1 n GLU 44 N 0.10 -1.36 -2.67 -0.41 1.02 -0.56 -4.86 120.64 111.90 1pk1 n GLU 44 Ca 0.12 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.20 1pk1 n GLU 44 Cb 0.23 -3.86 -0.03 0.00 -0.02 0.00 0.00 31.44 27.76 1pk1 n GLU 44 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pk1 s ILE 45 N -3.58 4.08 0.56 -3.67 -1.09 0.03 -4.86 121.20 112.67 1pk1 s ILE 45 Ca 0.39 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1pk1 s ILE 45 Cb -0.16 -4.93 0.11 0.00 -1.58 0.00 0.00 42.46 35.90 1pk1 s ILE 45 CO 0.89 -1.78 0.77 -0.90 -1.23 0.00 0.00 174.94 172.69 1pk1 n ASP 46 N 8.40 1.22 -0.30 3.58 5.75 -1.26 -4.41 116.55 129.53 1pk1 n ASP 46 Ca 0.20 -1.99 0.06 0.00 -0.01 0.00 0.00 54.79 53.05 1pk1 n ASP 46 Cb 0.49 -0.48 0.20 0.00 -1.03 0.00 0.00 41.12 40.31 1pk1 n ASP 46 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pk1 h GLY 47 N -0.35 1.35 1.02 6.12 0.00 -1.13 0.21 103.07 110.30 1pk1 h GLY 47 Ca -0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1pk1 h GLY 47 CO 0.29 0.03 0.14 1.70 0.00 0.00 0.00 176.54 178.71 1pk1 h LYS 48 N 0.70 0.98 -0.20 4.80 1.63 -1.75 -2.59 116.57 120.14 1pk1 h LYS 48 Ca 0.44 -0.24 -0.15 0.00 -0.85 0.00 0.00 60.65 59.84 1pk1 h LYS 48 Cb 0.54 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1pk1 h LYS 48 CO -0.31 0.90 -0.48 0.00 -3.45 0.00 0.00 179.45 176.11 1pk1 h ALA 49 N 1.04 0.33 -0.28 5.00 0.00 -1.65 -3.20 119.26 120.50 1pk1 h ALA 49 Ca 0.19 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1pk1 h ALA 49 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1pk1 h ALA 49 CO 0.00 0.49 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 1pk1 h LEU 50 N 0.38 -0.14 -1.51 0.00 5.85 -0.55 -1.30 115.31 118.04 1pk1 h LEU 50 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1pk1 h LEU 50 Cb 1.09 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1pk1 h LEU 50 CO 0.10 -0.04 0.00 -0.07 -0.34 0.00 0.00 178.44 178.10 1pk1 h LEU 51 N 0.06 0.00 -1.95 2.25 3.38 -1.51 -2.21 115.31 115.33 1pk1 h LEU 51 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pk1 h LEU 51 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pk1 h LEU 51 CO -0.24 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.83 1pk1 n ARG 52 N -2.48 2.32 -1.59 1.13 1.74 -0.51 -4.99 116.66 112.28 1pk1 n ARG 52 Ca -0.01 -1.95 -0.30 0.00 -0.77 0.00 0.00 57.85 54.83 1pk1 n ARG 52 Cb 0.12 -1.46 0.10 0.00 -1.02 0.00 0.00 32.46 30.20 1pk1 n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pk1 s LEU 53 N -1.95 2.47 0.22 0.55 1.43 -0.83 -5.08 118.68 115.49 1pk1 s LEU 53 Ca 0.29 1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 54.35 1pk1 s LEU 53 Cb 0.20 -3.74 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1pk1 s LEU 53 CO 0.30 -2.06 0.69 0.54 0.23 0.00 0.00 176.35 176.05 1pk1 s ASN 54 N -4.00 -0.37 0.17 2.29 2.20 -1.26 -5.06 114.94 108.91 1pk1 s ASN 54 Ca 0.61 -0.36 -0.17 0.00 -0.94 0.00 0.00 52.86 52.00 1pk1 s ASN 54 Cb -0.14 0.66 0.10 0.00 -2.00 0.00 0.00 41.25 39.87 1pk1 s ASN 54 CO 0.54 -1.17 1.67 0.28 -2.94 0.00 0.00 177.10 175.47 1pk1 h SER 55 N 2.00 -0.35 0.09 3.54 0.02 -1.99 -2.18 113.55 114.68 1pk1 h SER 55 Ca -0.25 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1pk1 h SER 55 Cb 1.27 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 64.01 1pk1 h SER 55 CO 0.29 -0.12 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.47 1pk1 h GLU 56 N 0.01 -0.49 -0.33 3.45 4.57 -1.99 -1.79 114.58 118.01 1pk1 h GLU 56 Ca 0.20 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1pk1 h GLU 56 Cb 0.30 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1pk1 h GLU 56 CO -0.41 -0.32 -0.12 0.00 -1.18 0.00 0.00 179.01 176.98 1pk1 h ARG 57 N -0.50 0.58 -0.67 1.92 3.08 -1.95 -0.97 114.38 115.85 1pk1 h ARG 57 Ca 0.04 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1pk1 h ARG 57 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1pk1 h ARG 57 CO -0.20 0.69 0.31 0.52 -1.07 0.00 0.00 179.97 180.22 1pk1 h MET 58 N 0.53 0.98 0.04 0.04 2.86 -1.15 0.83 114.93 119.06 1pk1 h MET 58 Ca 0.10 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pk1 h MET 58 Cb 0.52 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1pk1 h MET 58 CO 0.03 0.79 -0.02 0.52 1.06 0.00 0.00 176.91 179.30 1pk1 h MET 59 N 0.94 -0.05 -0.01 1.72 2.86 -1.12 -2.04 114.93 117.24 1pk1 h MET 59 Ca 0.23 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.70 1pk1 h MET 59 Cb 0.15 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1pk1 h MET 59 CO -0.03 0.52 -0.77 -0.22 1.06 0.00 0.00 176.91 177.47 1pk1 h LYS 60 N -0.66 0.12 0.00 1.72 3.64 -1.20 -2.38 116.57 117.82 1pk1 h LYS 60 Ca -0.01 -0.11 -0.38 0.00 -1.27 0.00 0.00 60.65 58.88 1pk1 h LYS 60 Cb 0.59 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1pk1 h LYS 60 CO 0.01 0.83 -2.43 0.66 -2.27 0.00 0.00 179.45 176.25 1pk1 n TYR 61 N -3.69 0.06 0.92 1.91 0.53 0.28 -4.55 117.16 112.61 1pk1 n TYR 61 Ca -0.02 0.01 0.10 0.00 -1.02 0.00 0.00 57.90 56.98 1pk1 n TYR 61 Cb 0.74 -1.01 -0.08 0.00 -1.03 0.00 0.00 39.34 37.96 1pk1 n TYR 61 CO 0.00 0.00 0.00 -1.33 -1.02 0.00 0.00 176.86 174.51 1pk1 n MET 62 N -3.16 0.06 -1.09 -0.72 2.81 -0.83 -4.97 117.12 109.22 1pk1 n MET 62 Ca -0.42 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.42 1pk1 n MET 62 Cb 1.03 -1.51 -0.01 0.00 -0.71 0.00 0.00 33.22 32.02 1pk1 n MET 62 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pk1 n GLY 63 N 1.48 0.61 3.77 3.03 0.00 -0.85 -4.98 105.19 108.25 1pk1 n GLY 63 Ca 0.04 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1pk1 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk1 s LEU 64 N -0.68 4.22 0.65 0.99 1.43 -0.83 -4.95 118.68 119.51 1pk1 s LEU 64 Ca 0.00 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1pk1 s LEU 64 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 1pk1 s LEU 64 CO 0.00 -0.52 1.05 -0.54 0.23 0.00 0.00 176.35 176.57 1pk1 s LYS 65 N -2.25 3.20 0.24 1.70 -0.14 -1.26 -4.04 119.74 117.19 1pk1 s LYS 65 Ca 0.55 0.98 -0.05 0.00 -1.36 0.00 0.00 55.97 56.10 1pk1 s LYS 65 Cb -0.27 -2.02 0.38 0.00 -1.68 0.00 0.00 37.83 34.23 1pk1 s LYS 65 CO 0.34 -0.89 1.80 1.25 -0.76 0.00 0.00 175.35 177.10 1pk1 h LEU 66 N -0.25 0.63 0.55 3.17 5.85 -1.96 -1.86 115.31 121.45 1pk1 h LEU 66 Ca -0.45 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1pk1 h LEU 66 Cb 1.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1pk1 h LEU 66 CO 0.58 0.36 -0.43 1.23 -0.34 0.00 0.00 178.44 179.84 1pk1 h GLY 67 N 0.76 -1.10 0.62 3.75 0.00 -2.00 -0.33 103.07 104.77 1pk1 h GLY 67 Ca 0.39 0.49 0.07 0.00 0.00 0.00 0.00 47.33 48.28 1pk1 h GLY 67 CO -0.25 -0.37 0.43 -2.55 0.00 0.00 0.00 176.54 173.80 1pk1 h PRO 68 N -0.96 0.74 -0.63 4.80 0.11 -1.91 -1.68 132.00 132.47 1pk1 h PRO 68 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1pk1 h PRO 68 Cb 0.81 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 1pk1 h PRO 68 CO 0.01 0.49 0.40 0.00 -0.21 0.00 0.00 178.00 178.69 1pk1 h ALA 69 N 1.40 0.80 -0.45 -0.75 0.00 -1.15 0.21 119.26 119.32 1pk1 h ALA 69 Ca 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pk1 h ALA 69 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1pk1 h ALA 69 CO -0.21 0.26 0.26 -0.07 0.00 0.00 0.00 179.25 179.49 1pk1 h LEU 70 N 0.86 0.55 -0.74 0.00 3.38 -0.49 -0.05 115.31 118.82 1pk1 h LEU 70 Ca 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1pk1 h LEU 70 Cb -0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1pk1 h LEU 70 CO -0.05 0.46 0.42 0.11 0.09 0.00 0.00 178.44 179.48 1pk1 h LYS 71 N 0.60 1.01 -0.43 1.13 1.57 -0.85 -0.33 116.57 119.27 1pk1 h LYS 71 Ca 0.16 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1pk1 h LYS 71 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1pk1 h LYS 71 CO -0.03 0.73 0.13 0.82 -0.57 0.00 0.00 179.45 180.54 1pk1 h ILE 72 N 1.01 1.22 -0.84 1.86 2.04 -0.63 -2.10 117.51 120.07 1pk1 h ILE 72 Ca 0.26 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1pk1 h ILE 72 Cb -0.00 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1pk1 h ILE 72 CO -0.05 0.26 0.55 0.00 0.00 0.00 0.00 178.15 178.91 1pk1 h ASN 74 N 1.08 0.65 0.68 0.00 -0.00 -0.55 -0.41 115.58 117.04 1pk1 h ASN 74 Ca 0.32 -0.06 -0.20 0.00 -0.00 0.00 0.00 56.30 56.36 1pk1 h ASN 74 Cb -0.04 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.10 1pk1 h ASN 74 CO -0.08 0.56 -0.90 -0.07 -0.00 0.00 0.00 177.43 176.94 1pk1 h LEU 75 N 0.73 0.18 -0.32 0.34 3.38 -0.52 -3.19 115.31 115.91 1pk1 h LEU 75 Ca 0.18 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1pk1 h LEU 75 Cb 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pk1 h LEU 75 CO -0.02 0.99 -0.32 0.58 0.09 0.00 0.00 178.44 179.75 1pk1 h VAL 76 N 0.07 1.29 -0.84 1.22 2.07 -0.47 -3.10 116.25 116.49 1pk1 h VAL 76 Ca -0.04 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.08 1pk1 h VAL 76 Cb 1.55 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1pk1 h VAL 76 CO 0.13 0.48 0.54 0.78 0.02 0.00 0.00 177.57 179.53 1pk1 h ASN 77 N 0.54 0.73 -0.80 0.57 -0.26 -1.13 -0.75 115.58 114.49 1pk1 h ASN 77 Ca 0.05 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1pk1 h ASN 77 Cb 0.90 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.99 1pk1 h ASN 77 CO 0.08 0.44 0.47 0.11 -1.06 0.00 0.00 177.43 177.47 1pk1 h LYS 78 N 0.82 1.11 -0.50 0.81 1.57 -1.53 -2.70 116.57 116.15 1pk1 h LYS 78 Ca 0.38 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1pk1 h LYS 78 Cb 0.40 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1pk1 h LYS 78 CO -0.15 0.79 0.00 1.33 -0.57 0.00 0.00 179.45 180.85 1pk1 n VAL 79 N -4.36 1.69 1.40 0.50 0.24 -0.89 -5.15 118.33 111.76 1pk1 n VAL 79 Ca 0.09 -1.28 0.11 0.00 -2.04 0.00 0.00 64.34 61.21 1pk1 n VAL 79 Cb 0.08 0.16 0.66 0.00 -1.47 0.00 0.00 33.84 33.27 1pk1 n VAL 79 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23