#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vib s SER 2 N 0.00 6.94 -1.28 0.00 0.15 -1.26 -4.78 113.70 113.47 1vib s SER 2 Ca 0.00 -2.70 -0.05 0.00 0.70 0.00 0.00 55.95 53.89 1vib s SER 2 Cb 0.00 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 62.01 1vib s SER 2 CO 0.00 -0.86 2.42 0.00 1.20 0.00 0.00 173.24 176.00 1vib n ALA 3 N 6.11 6.81 -1.35 5.45 0.00 -1.26 -4.46 120.51 131.81 1vib n ALA 3 Ca 0.34 -4.02 -0.14 0.00 0.00 0.00 0.00 53.44 49.63 1vib n ALA 3 Cb 0.45 -2.75 0.19 0.00 0.00 0.00 0.00 19.45 17.34 1vib n ALA 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vib n THR 4 N 1.71 2.87 0.00 0.00 -2.24 -1.26 -4.52 114.28 110.84 1vib n THR 4 Ca 0.62 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1vib n THR 4 Cb 0.26 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1vib n TRP 5 N -1.13 0.00 -0.01 4.78 7.02 -1.26 -4.62 117.44 122.22 1vib n TRP 5 Ca 0.46 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 57.03 1vib n TRP 5 Cb 1.34 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 30.08 1vib n TRP 5 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vib n GLY 6 N 1.23 -0.90 0.60 6.99 0.00 -1.26 -4.12 105.19 107.74 1vib n GLY 6 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1vib n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vib n ALA 7 N -2.21 2.52 -0.12 4.61 0.00 -1.26 -4.07 120.51 119.98 1vib n ALA 7 Ca -0.05 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.67 1vib n ALA 7 Cb 0.54 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1vib n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n ALA 8 N 0.43 1.46 -2.10 0.00 0.00 -1.26 -5.13 120.51 113.91 1vib n ALA 8 Ca 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1vib n ALA 8 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1vib n ALA 8 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1vib n TYR 9 N -3.21 0.00 0.00 0.00 4.11 -1.26 -5.15 117.16 111.66 1vib n TYR 9 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.46 1vib n TYR 9 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.32 1vib n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vib n ALA 11 N -3.00 0.00 0.30 -3.48 0.00 -1.26 -4.63 120.51 108.44 1vib n ALA 11 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1vib n ALA 11 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 1vib n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n GLU 13 N -2.57 0.70 -0.02 0.00 0.00 -1.26 -4.50 120.64 112.99 1vib n GLU 13 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 57.16 56.88 1vib n GLU 13 Cb 0.63 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 30.51 1vib n GLU 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1vib n ASN 14 N -2.22 1.40 -0.10 4.31 5.03 0.11 -3.96 115.26 119.83 1vib n ASN 14 Ca -0.08 0.28 -0.09 0.00 0.87 0.00 0.00 54.58 55.56 1vib n ASN 14 Cb 0.59 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 1vib n ASN 14 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1vib h ASN 15 N 0.03 -1.23 0.65 6.41 7.08 -0.68 0.31 115.58 128.15 1vib h ASN 15 Ca -0.37 0.20 0.00 0.00 -3.08 0.00 0.00 56.30 53.04 1vib h ASN 15 Cb 2.03 0.55 0.00 0.00 -2.08 0.00 0.00 38.32 38.82 1vib h ASN 15 CO 0.07 -0.35 0.00 0.00 -2.08 0.00 0.00 177.43 175.07 1vib h ARG 17 N 0.00 -0.17 -0.35 0.00 2.43 -0.53 0.14 114.38 115.89 1vib h ARG 17 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1vib h ARG 17 Cb 0.33 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1vib h ARG 17 CO 0.00 0.25 0.08 0.87 -1.51 0.00 0.00 179.97 179.66 1vib h LYS 18 N -0.93 0.20 -0.58 0.20 1.57 -1.34 -1.67 116.57 114.03 1vib h LYS 18 Ca -0.02 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1vib h LYS 18 Cb 0.50 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.65 1vib h LYS 18 CO 0.03 0.13 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.46 1vib h LYS 19 N 0.21 -0.18 -0.51 3.15 3.11 -1.33 0.67 116.57 121.69 1vib h LYS 19 Ca 0.17 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.12 1vib h LYS 19 Cb 0.18 0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.36 1vib h LYS 19 CO -0.21 -0.12 -0.06 -0.92 -2.81 0.00 0.00 179.45 175.33 1vib h TYR 20 N -0.18 -0.15 0.00 1.91 3.20 -0.03 1.51 116.97 123.23 1vib h TYR 20 Ca 0.22 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1vib h TYR 20 Cb 0.56 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1vib h TYR 20 CO -0.65 -0.17 0.00 -0.44 -1.64 0.00 0.00 178.16 175.25 1vib h ASP 21 N 0.06 0.00 -0.25 -2.11 3.32 -0.51 -1.99 116.42 114.93 1vib h ASP 21 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1vib h ASP 21 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1vib h ASP 21 CO -0.48 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.22 1vib n LEU 22 N -2.39 2.63 -0.07 1.55 4.77 0.21 -4.54 117.00 119.18 1vib n LEU 22 Ca 0.02 -1.82 -0.09 0.00 -0.03 0.00 0.00 56.01 54.10 1vib n LEU 22 Cb 0.28 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1vib n LEU 22 CO 0.23 0.64 -0.94 0.00 -1.33 0.00 0.00 177.39 175.99 1vib n ILE 24 N -2.85 0.00 -1.35 0.00 5.41 -0.82 -4.67 119.36 115.08 1vib n ILE 24 Ca -0.24 -0.25 -0.23 0.00 1.00 0.00 0.00 62.75 63.03 1vib n ILE 24 Cb 0.77 -1.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.61 1vib n ILE 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1vib n ARG 25 N 5.79 2.46 0.22 0.38 5.12 -1.26 -4.47 116.66 124.90 1vib n ARG 25 Ca 0.23 -1.96 0.11 0.00 -1.93 0.00 0.00 57.85 54.31 1vib n ARG 25 Cb 0.35 -2.15 0.59 0.00 -1.16 0.00 0.00 32.46 30.08 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vib s GLN 27 N -3.62 3.17 2.14 0.00 0.00 -1.26 -3.44 119.66 116.64 1vib s GLN 27 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 55.36 54.92 1vib s GLN 27 Cb 0.06 -2.93 0.00 0.00 0.00 0.00 0.00 33.01 30.14 1vib s GLN 27 CO 0.20 0.67 0.00 0.41 0.00 0.00 0.00 175.29 176.56 1vib n GLY 28 N 1.26 0.62 0.31 2.60 0.00 -1.26 -3.50 105.19 105.22 1vib n GLY 28 Ca -0.14 0.55 0.13 0.00 0.00 0.00 0.00 46.02 46.56 1vib n GLY 28 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vib h LYS 29 N 0.00 0.21 -0.73 1.61 3.64 -1.87 0.10 116.57 119.53 1vib h LYS 29 Ca 0.00 -0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.86 1vib h LYS 29 Cb 0.00 -0.05 -0.33 0.00 -0.41 0.00 0.00 32.23 31.44 1vib h LYS 29 CO 0.00 0.14 -0.27 0.91 -2.27 0.00 0.00 179.45 177.96 1vib n TRP 30 N -5.22 2.55 -0.95 1.91 7.02 0.10 -4.96 117.44 117.89 1vib n TRP 30 Ca 0.21 -2.31 -0.11 0.00 -1.02 0.00 0.00 57.50 54.26 1vib n TRP 30 Cb 0.67 -0.64 -0.04 0.00 -2.42 0.00 0.00 31.31 28.88 1vib n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1vib n ALA 31 N -0.84 0.30 0.00 6.99 0.00 0.36 0.15 120.51 127.47 1vib n ALA 31 Ca 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1vib n ALA 31 Cb 0.90 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1vib n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vib n GLY 32 N 4.30 2.12 0.00 0.00 0.00 -1.26 -4.90 105.19 105.45 1vib n GLY 32 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1vib n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vib n LYS 33 N -0.19 0.99 -0.11 1.61 4.76 0.39 -4.44 118.16 121.16 1vib n LYS 33 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1vib n LYS 33 Cb 0.00 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 1vib n LYS 33 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vib n ARG 34 N -0.96 -0.12 0.14 1.97 3.00 -0.87 0.46 116.66 120.27 1vib n ARG 34 Ca 0.22 0.61 0.05 0.00 -0.00 0.00 0.00 57.85 58.73 1vib n ARG 34 Cb 0.10 -0.90 0.27 0.00 0.00 0.00 0.00 32.46 31.93 1vib n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vib n GLY 35 N -1.07 -0.53 0.04 5.14 0.00 -1.26 -0.04 105.19 107.47 1vib n GLY 35 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1vib n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vib n LYS 36 N -1.90 2.20 -0.33 1.61 4.81 0.17 -4.39 118.16 120.34 1vib n LYS 36 Ca -0.01 0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1vib n LYS 36 Cb 0.35 -1.19 0.14 0.00 0.02 0.00 0.00 35.03 34.35 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib n ALA 38 N -2.35 -0.16 -0.39 0.00 0.00 -0.59 -1.17 120.51 115.84 1vib n ALA 38 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1vib n ALA 38 Cb 0.15 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 1vib n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib h ALA 39 N -1.79 -0.32 -0.98 0.00 0.00 -1.73 0.65 119.26 115.09 1vib h ALA 39 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1vib h ALA 39 Cb 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1vib h ALA 39 CO 0.00 -0.85 -0.44 1.58 0.00 0.00 0.00 179.25 179.53 1vib n HIS 40 N -5.33 -0.10 0.16 0.00 -0.00 -0.35 0.27 115.22 109.87 1vib n HIS 40 Ca 0.04 1.22 0.02 0.00 -0.00 0.00 0.00 57.72 59.00 1vib n HIS 40 Cb 0.31 -0.78 0.34 0.00 -0.00 0.00 0.00 29.99 29.85 1vib n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vib h ILE 42 N 0.05 1.30 -0.14 0.00 2.10 0.16 -2.37 117.51 118.60 1vib h ILE 42 Ca 0.00 -1.62 0.04 0.00 1.08 0.00 0.00 64.86 64.36 1vib h ILE 42 Cb 0.67 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.95 1vib h ILE 42 CO 0.05 0.52 0.11 0.40 -1.08 0.00 0.00 178.15 178.15 1vib h ILE 43 N 0.53 0.78 0.29 2.19 2.04 -0.32 -2.04 117.51 120.98 1vib h ILE 43 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1vib h ILE 43 Cb 0.97 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1vib h ILE 43 CO 0.09 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.66 1vib h GLN 44 N 0.00 -0.37 -0.20 2.37 7.50 -1.37 0.23 115.11 123.28 1vib h GLN 44 Ca 0.07 0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.30 1vib h GLN 44 Cb 0.29 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1vib h GLN 44 CO -0.00 -0.25 0.43 1.57 -1.50 0.00 0.00 178.83 179.08 1vib h LYS 45 N -0.65 0.00 0.00 1.46 2.10 -1.47 -1.93 116.57 116.09 1vib h LYS 45 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1vib h LYS 45 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1vib h LYS 45 CO 0.06 0.00 -0.17 -0.97 -2.00 0.00 0.00 179.45 176.38 1vib h ASN 46 N 0.00 0.00 -0.55 7.07 -0.73 -1.35 -3.35 115.58 116.67 1vib h ASN 46 Ca 0.09 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.36 1vib h ASN 46 Cb 0.96 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.45 1vib h ASN 46 CO -0.00 0.30 -0.19 0.59 -0.37 0.00 0.00 177.43 177.76 1vib n ASN 47 N -3.27 -0.31 -0.35 1.15 3.02 0.81 0.10 115.26 116.42 1vib n ASN 47 Ca -0.02 0.96 -0.01 0.00 -0.03 0.00 0.00 54.58 55.48 1vib n ASN 47 Cb 0.09 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vib h LYS 49 N -0.02 0.00 -0.11 0.00 1.57 0.54 0.20 116.57 118.74 1vib h LYS 49 Ca 0.35 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1vib h LYS 49 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1vib h LYS 49 CO -0.94 0.00 -0.22 0.41 -0.57 0.00 0.00 179.45 178.13 1vib n GLY 50 N -1.28 4.91 0.11 3.86 0.00 0.45 -4.12 105.19 109.12 1vib n GLY 50 Ca -0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1vib n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vib n LYS 51 N -1.14 0.36 0.00 1.61 2.85 0.70 -3.71 118.16 118.83 1vib n LYS 51 Ca 0.22 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1vib n LYS 51 Cb 0.78 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vib h LYS 53 N 0.00 0.12 -5.75 0.00 2.10 -1.90 -3.33 116.57 107.81 1vib h LYS 53 Ca 0.00 -0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 58.07 1vib h LYS 53 Cb 0.00 -0.03 -0.30 0.00 -0.90 0.00 0.00 32.23 31.01 1vib h LYS 53 CO 0.00 0.08 -0.84 0.15 -2.00 0.00 0.00 179.45 176.84 1vib s LYS 54 N -5.23 1.56 0.00 0.07 3.01 -1.26 -5.09 119.74 112.80 1vib s LYS 54 Ca -0.07 -0.67 0.11 0.00 -1.01 0.00 0.00 55.97 54.34 1vib s LYS 54 Cb 0.28 -1.48 0.09 0.00 -1.01 0.00 0.00 37.83 35.70 1vib s LYS 54 CO 0.82 0.39 0.85 -0.85 0.51 0.00 0.00 175.35 177.08