#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vib n SER 2 N 0.00 4.87 -1.10 0.00 2.88 -1.26 -4.74 113.62 114.27 1vib n SER 2 Ca 0.00 -3.71 0.11 0.00 -1.33 0.00 0.00 58.87 53.94 1vib n SER 2 Cb 0.00 -0.56 0.20 0.00 -0.75 0.00 0.00 64.21 63.10 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vib n ALA 3 N -0.37 2.42 -1.57 -1.46 0.00 -1.26 -4.69 120.51 113.57 1vib n ALA 3 Ca 0.37 -0.96 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 1vib n ALA 3 Cb 0.51 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 1.43 4.67 0.00 0.00 -2.24 -1.26 -4.36 114.28 112.52 1vib n THR 4 Ca 0.18 -3.24 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1vib n THR 4 Cb 0.59 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 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 2.90 0.00 0.30 4.78 7.02 -1.26 -4.67 117.44 126.51 1vib n TRP 5 Ca 0.73 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 57.27 1vib n TRP 5 Cb 0.24 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.41 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 3.51 -0.89 0.06 6.99 0.00 -1.26 -0.38 105.19 113.22 1vib n GLY 6 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.58 2.80 -0.08 4.61 0.00 -1.26 -4.12 120.51 120.88 1vib n ALA 7 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1vib n ALA 7 Cb 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.21 1.07 -2.65 0.00 0.00 0.49 -5.10 120.51 113.11 1vib n ALA 8 Ca 0.11 -0.76 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 1vib n ALA 8 Cb 0.30 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1vib n ALA 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1vib s TYR 9 N -2.82 3.22 0.00 0.00 1.13 -1.06 -5.07 117.35 112.75 1vib s TYR 9 Ca -0.27 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 1vib s TYR 9 Cb 0.04 -2.45 0.00 0.00 -1.10 0.00 0.00 41.96 38.45 1vib s TYR 9 CO 0.39 -0.43 0.00 0.00 -2.51 0.00 0.00 175.55 173.00 1vib n ALA 11 N 5.07 0.00 0.06 9.51 0.00 -1.26 -4.59 120.51 129.30 1vib n ALA 11 Ca -0.13 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.52 1vib n ALA 11 Cb 0.49 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.57 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 -3.39 1.67 -0.01 0.00 0.00 -1.26 -4.38 120.64 113.27 1vib n GLU 13 Ca 0.10 -0.78 -0.21 0.00 0.00 0.00 0.00 57.16 56.26 1vib n GLU 13 Cb 0.86 -1.15 -0.14 0.00 0.00 0.00 0.00 31.44 31.01 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 -0.01 2.10 0.07 4.31 5.03 0.74 -3.78 115.26 123.72 1vib n ASN 14 Ca 0.05 0.23 -0.13 0.00 0.87 0.00 0.00 54.58 55.60 1vib n ASN 14 Cb 0.25 -0.87 -0.06 0.00 -1.02 0.00 0.00 39.78 38.08 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 -0.05 -1.19 0.28 6.41 -1.07 -1.65 0.25 115.58 118.56 1vib h ASN 15 Ca -0.42 0.14 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1vib h ASN 15 Cb 1.95 0.47 0.00 0.00 -2.07 0.00 0.00 38.32 38.67 1vib h ASN 15 CO 0.05 -0.45 0.00 0.00 0.07 0.00 0.00 177.43 177.10 1vib n ARG 17 N -1.29 0.56 -0.20 0.00 0.63 -0.19 -3.23 116.66 112.94 1vib n ARG 17 Ca 0.07 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.15 1vib n ARG 17 Cb 0.12 -1.45 0.02 0.00 0.45 0.00 0.00 32.46 31.60 1vib n ARG 17 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1vib h LYS 18 N -0.98 0.89 0.37 -0.14 2.10 -0.56 -0.70 116.57 117.56 1vib h LYS 18 Ca -0.47 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 57.96 1vib h LYS 18 Cb 1.41 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1vib h LYS 18 CO -0.29 0.84 -0.36 -0.22 -2.00 0.00 0.00 179.45 177.43 1vib h LYS 19 N 0.79 -0.72 -0.62 0.07 1.63 -0.30 0.98 116.57 118.40 1vib h LYS 19 Ca 0.17 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 1vib h LYS 19 Cb 0.35 0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 32.04 1vib h LYS 19 CO 0.00 -0.48 -0.52 -0.92 -3.45 0.00 0.00 179.45 174.08 1vib h TYR 20 N -0.75 -1.61 0.00 1.91 3.20 -1.45 2.12 116.97 120.39 1vib h TYR 20 Ca -0.03 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1vib h TYR 20 Cb 0.67 0.78 0.00 0.00 1.54 0.00 0.00 36.73 39.72 1vib h TYR 20 CO -0.19 -0.44 0.00 -0.44 -1.64 0.00 0.00 178.16 175.44 1vib h ASP 21 N -0.24 0.00 -0.29 -2.11 3.32 -0.61 -0.87 116.42 115.61 1vib h ASP 21 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1vib h ASP 21 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1vib h ASP 21 CO -0.72 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 176.98 1vib n LEU 22 N -2.76 2.75 -0.01 1.55 4.77 0.34 -4.48 117.00 119.16 1vib n LEU 22 Ca -0.00 -1.78 -0.00 0.00 -0.03 0.00 0.00 56.01 54.20 1vib n LEU 22 Cb 0.19 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1vib n LEU 22 CO 0.21 0.66 -0.57 0.00 -1.33 0.00 0.00 177.39 176.36 1vib s ILE 24 N -2.10 3.59 -1.01 0.00 1.09 -0.40 -4.64 121.20 117.72 1vib s ILE 24 Ca -0.01 -0.86 -0.01 0.00 -1.10 0.00 0.00 60.65 58.66 1vib s ILE 24 Cb 0.01 -4.50 0.32 0.00 -1.06 0.00 0.00 42.46 37.23 1vib s ILE 24 CO 0.11 -1.11 1.84 0.54 -0.10 0.00 0.00 174.94 176.22 1vib n ARG 25 N 8.46 5.25 0.00 2.79 3.00 -1.26 -4.71 116.66 130.19 1vib n ARG 25 Ca 0.44 -4.59 0.00 0.00 -0.01 0.00 0.00 57.85 53.68 1vib n ARG 25 Cb 0.47 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.47 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vib s GLN 27 N -1.40 1.73 0.01 0.00 0.00 -1.26 -4.34 119.66 114.41 1vib s GLN 27 Ca 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 55.36 53.68 1vib s GLN 27 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 33.01 31.17 1vib s GLN 27 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 175.29 176.05 1vib n GLY 28 N -0.49 0.36 0.34 2.60 0.00 -1.26 -1.90 105.19 104.84 1vib n GLY 28 Ca -0.07 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 0.01 -1.18 1.61 3.64 -1.93 0.49 116.57 119.21 1vib h LYS 29 Ca 0.00 -0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1vib h LYS 29 Cb 0.00 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.42 1vib h LYS 29 CO 0.00 0.01 -0.49 0.91 -2.27 0.00 0.00 179.45 177.60 1vib n TRP 30 N -5.47 3.08 -1.18 1.91 7.02 -0.80 -4.95 117.44 117.05 1vib n TRP 30 Ca 0.24 -2.66 -0.27 0.00 -1.02 0.00 0.00 57.50 53.80 1vib n TRP 30 Cb 0.80 -0.40 -0.12 0.00 -2.42 0.00 0.00 31.31 29.18 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 -0.62 0.54 0.00 6.99 0.00 0.17 -0.24 120.51 127.35 1vib n ALA 31 Ca 0.44 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1vib n ALA 31 Cb 0.76 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 5.67 1.12 0.60 0.00 0.00 -1.26 -4.90 105.19 106.42 1vib n GLY 32 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.48 1.81 -0.12 1.61 4.01 0.67 -4.61 118.16 121.06 1vib n LYS 33 Ca 0.00 -1.21 -0.03 0.00 -0.51 0.00 0.00 58.31 56.56 1vib n LYS 33 Cb 0.00 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.02 1vib n LYS 33 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1vib n ARG 34 N 0.47 -0.12 0.21 1.97 3.00 -0.91 0.36 116.66 121.63 1vib n ARG 34 Ca 0.17 0.60 0.07 0.00 -0.00 0.00 0.00 57.85 58.69 1vib n ARG 34 Cb 0.42 -0.88 0.36 0.00 0.00 0.00 0.00 32.46 32.36 1vib n ARG 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1vib h GLY 35 N 0.00 0.00 0.00 5.14 0.00 -1.92 0.21 103.07 106.50 1vib h GLY 35 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1vib h GLY 35 CO -0.26 0.00 -1.59 1.17 0.00 0.00 0.00 176.54 175.86 1vib n LYS 36 N -2.20 1.85 -0.14 4.80 4.81 0.16 -4.09 118.16 123.35 1vib n LYS 36 Ca -0.01 0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.41 1vib n LYS 36 Cb 0.45 -1.22 0.05 0.00 0.02 0.00 0.00 35.03 34.34 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 -2.45 -0.18 -0.28 0.00 0.00 -0.56 -1.54 120.51 115.51 1vib n ALA 38 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1vib n ALA 38 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 1vib n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vib n ALA 39 N -1.08 -0.26 -0.17 0.00 0.00 -1.20 0.65 120.51 118.46 1vib n ALA 39 Ca 0.00 0.63 -0.09 0.00 0.00 0.00 0.00 53.44 53.99 1vib n ALA 39 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 1vib n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vib h HIS 40 N 0.00 -1.22 -0.59 0.00 6.17 -1.23 0.20 115.15 118.48 1vib h HIS 40 Ca 0.18 0.07 -0.29 0.00 0.71 0.00 0.00 60.37 61.04 1vib h HIS 40 Cb 0.35 0.60 -0.18 0.00 2.52 0.00 0.00 27.41 30.71 1vib h HIS 40 CO -0.65 -0.43 0.37 0.00 0.71 0.00 0.00 177.93 177.94 1vib n ILE 42 N -0.44 0.00 0.09 0.00 5.41 0.45 -4.33 119.36 120.54 1vib n ILE 42 Ca 0.35 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.11 1vib n ILE 42 Cb 1.19 -0.94 0.05 0.00 -0.71 0.00 0.00 39.64 39.24 1vib n ILE 42 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1vib n ILE 43 N -2.67 1.48 -0.02 1.39 5.41 0.26 -1.61 119.36 123.60 1vib n ILE 43 Ca 0.00 0.37 -0.00 0.00 1.00 0.00 0.00 62.75 64.12 1vib n ILE 43 Cb 0.44 -1.33 -0.00 0.00 -0.71 0.00 0.00 39.64 38.03 1vib n ILE 43 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1vib h GLN 44 N 0.00 -0.01 -0.93 0.38 1.08 -1.80 0.50 115.11 114.33 1vib h GLN 44 Ca 0.00 0.00 0.36 0.00 -1.45 0.00 0.00 58.65 57.56 1vib h GLN 44 Cb 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.30 1vib h GLN 44 CO 0.00 -0.01 0.40 1.17 -0.95 0.00 0.00 178.83 179.44 1vib n LYS 45 N -3.70 -0.06 0.00 1.46 4.81 -0.63 0.54 118.16 120.58 1vib n LYS 45 Ca -0.00 1.30 -0.03 0.00 -0.87 0.00 0.00 58.31 58.71 1vib n LYS 45 Cb 0.01 -2.28 -0.11 0.00 0.02 0.00 0.00 35.03 32.67 1vib n LYS 45 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1vib n ASN 46 N -5.15 0.77 0.02 3.14 4.05 -1.05 -3.89 115.26 113.15 1vib n ASN 46 Ca 0.32 0.35 0.12 0.00 0.45 0.00 0.00 54.58 55.82 1vib n ASN 46 Cb 1.09 0.21 0.17 0.00 1.23 0.00 0.00 39.78 42.48 1vib n ASN 46 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1vib n ASN 47 N -2.91 0.59 -0.06 1.20 5.15 0.17 -3.97 115.26 115.45 1vib n ASN 47 Ca -0.13 -0.22 -0.13 0.00 -0.60 0.00 0.00 54.58 53.50 1vib n ASN 47 Cb 0.92 0.38 -0.12 0.00 -0.53 0.00 0.00 39.78 40.43 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vib n LYS 49 N -4.67 -0.15 -0.30 0.00 4.76 -1.25 -0.08 118.16 116.47 1vib n LYS 49 Ca -0.09 0.54 0.27 0.00 -2.87 0.00 0.00 58.31 56.15 1vib n LYS 49 Cb 0.42 -0.79 0.47 0.00 -1.84 0.00 0.00 35.03 33.28 1vib n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vib n GLY 50 N -1.08 -0.58 0.01 0.72 0.00 -1.26 0.14 105.19 103.14 1vib n GLY 50 Ca 0.01 0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.67 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 -4.28 0.59 -2.89 1.61 2.85 0.89 -4.61 118.16 112.32 1vib n LYS 51 Ca 0.28 -0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 56.98 1vib n LYS 51 Cb 1.06 -1.39 0.01 0.00 -0.65 0.00 0.00 35.03 34.06 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vib n LYS 53 N 0.85 0.00 -0.09 0.00 5.02 -1.18 -4.69 118.16 118.08 1vib n LYS 53 Ca 0.33 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1vib n LYS 53 Cb 0.31 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.40 1vib n LYS 53 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1vib n LYS 54 N -0.67 2.43 0.00 1.97 0.00 -1.26 -4.30 118.16 116.32 1vib n LYS 54 Ca 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.63 1vib n LYS 54 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 1vib n LYS 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79