#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 -0.13 0.00 0.00 7.64 -1.26 -5.18 113.62 114.70 1vib n SER 2 Ca 0.00 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1vib n SER 2 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vib n ALA 3 N -2.83 0.00 -1.36 -0.43 0.00 -1.26 -4.91 120.51 109.72 1vib n ALA 3 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1vib n ALA 3 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 3.35 0.00 0.00 -2.24 -1.26 -4.76 114.28 109.37 1vib n THR 4 Ca 0.00 -2.43 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 1vib n THR 4 Cb 0.00 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 65.73 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 5.20 0.00 0.00 4.78 5.03 -1.26 -4.71 117.44 126.48 1vib n TRP 5 Ca 0.59 0.00 0.00 0.00 3.03 0.00 0.00 57.50 61.12 1vib n TRP 5 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.58 1vib n TRP 5 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1vib n GLY 6 N 5.00 1.40 0.37 6.99 0.00 0.23 -0.51 105.19 118.67 1vib n GLY 6 Ca 0.00 0.68 0.34 0.00 0.00 0.00 0.00 46.02 47.04 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 7.75 1.12 -0.24 4.61 0.00 -1.26 -1.52 120.51 130.96 1vib n ALA 7 Ca 0.00 0.87 0.11 0.00 0.00 0.00 0.00 53.44 54.42 1vib n ALA 7 Cb 0.00 -0.97 0.21 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.43 0.37 -2.80 0.00 0.00 0.34 -4.93 120.51 111.05 1vib n ALA 8 Ca 0.36 0.76 -0.36 0.00 0.00 0.00 0.00 53.44 54.20 1vib n ALA 8 Cb 1.33 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 1vib n ALA 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1vib s TYR 9 N -5.60 3.39 0.00 0.00 5.04 -0.57 -5.10 117.35 114.51 1vib s TYR 9 Ca -0.09 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1vib s TYR 9 Cb 0.21 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.53 1vib s TYR 9 CO 0.55 0.45 0.00 0.00 -1.34 0.00 0.00 175.55 175.21 1vib n ALA 11 N 2.69 0.00 -0.40 3.97 0.00 -1.26 -4.35 120.51 121.16 1vib n ALA 11 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1vib n ALA 11 Cb 0.53 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.31 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 0.78 0.23 -0.27 0.00 4.07 -1.26 -4.64 120.64 119.54 1vib n GLU 13 Ca 0.23 0.10 0.04 0.00 -0.06 0.00 0.00 57.16 57.46 1vib n GLU 13 Cb 0.89 -0.89 0.10 0.00 -0.06 0.00 0.00 31.44 31.47 1vib n GLU 13 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1vib n ASN 14 N -3.65 -0.28 -0.18 4.31 5.03 -1.26 0.12 115.26 119.36 1vib n ASN 14 Ca -0.16 1.27 -0.02 0.00 0.87 0.00 0.00 54.58 56.54 1vib n ASN 14 Cb 0.49 -0.38 0.04 0.00 -1.02 0.00 0.00 39.78 38.91 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 0.00 -0.64 1.68 6.41 -1.07 -1.83 0.68 115.58 120.82 1vib h ASN 15 Ca 0.35 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.90 1vib h ASN 15 Cb 0.53 0.39 0.00 0.00 -2.07 0.00 0.00 38.32 37.17 1vib h ASN 15 CO -0.76 -0.22 0.00 0.00 0.07 0.00 0.00 177.43 176.53 1vib h ARG 17 N 0.00 -0.13 -0.37 0.00 2.43 0.19 0.09 114.38 116.57 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 0.84 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.34 1vib h ARG 17 CO 0.00 -0.09 -0.55 0.87 -1.51 0.00 0.00 179.97 178.69 1vib h LYS 18 N -0.60 -0.41 -0.65 0.20 1.57 0.14 -0.28 116.57 116.55 1vib h LYS 18 Ca -0.01 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1vib h LYS 18 Cb 0.11 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.39 1vib h LYS 18 CO 0.02 -0.27 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.08 1vib h LYS 19 N -0.42 -0.13 -0.92 3.15 1.63 -0.84 0.78 116.57 119.82 1vib h LYS 19 Ca 0.07 0.01 0.25 0.00 -0.85 0.00 0.00 60.65 60.13 1vib h LYS 19 Cb 0.61 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.13 1vib h LYS 19 CO -0.58 -0.08 0.39 -0.92 -3.45 0.00 0.00 179.45 174.81 1vib h TYR 20 N -0.13 0.64 0.00 1.91 3.20 0.82 1.83 116.97 125.23 1vib h TYR 20 Ca 0.26 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1vib h TYR 20 Cb 0.56 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1vib h TYR 20 CO -0.66 -0.13 -0.19 -0.44 -1.64 0.00 0.00 178.16 175.09 1vib h ASP 21 N 0.33 0.00 -0.42 -2.11 3.32 0.13 -2.91 116.42 114.76 1vib h ASP 21 Ca 0.60 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1vib h ASP 21 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1vib h ASP 21 CO -0.59 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.12 1vib n LEU 22 N -2.83 3.14 -0.12 1.55 4.77 0.23 -4.42 117.00 119.33 1vib n LEU 22 Ca 0.04 -1.87 -0.24 0.00 -0.03 0.00 0.00 56.01 53.91 1vib n LEU 22 Cb 0.51 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1vib n LEU 22 CO 0.34 0.76 -1.31 0.00 -1.33 0.00 0.00 177.39 175.86 1vib n ILE 24 N -3.95 0.00 -1.82 0.00 5.41 -1.11 -4.68 119.36 113.21 1vib n ILE 24 Ca -0.46 -0.22 -0.40 0.00 1.00 0.00 0.00 62.75 62.67 1vib n ILE 24 Cb 0.85 -0.28 -0.01 0.00 -0.71 0.00 0.00 39.64 39.48 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 3.58 4.22 0.08 0.38 5.12 -1.26 -4.55 116.66 124.24 1vib n ARG 25 Ca 0.04 -3.09 0.06 0.00 -1.93 0.00 0.00 57.85 52.93 1vib n ARG 25 Cb 0.14 -2.72 0.31 0.00 -1.16 0.00 0.00 32.46 29.03 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 -3.29 2.62 2.10 0.00 0.00 -1.26 -3.82 119.66 116.01 1vib s GLN 27 Ca -0.01 -0.75 0.00 0.00 -0.00 0.00 0.00 55.36 54.60 1vib s GLN 27 Cb 0.03 -2.57 0.00 0.00 0.00 0.00 0.00 33.01 30.47 1vib s GLN 27 CO 0.10 0.58 0.00 0.41 0.00 0.00 0.00 175.29 176.38 1vib n GLY 28 N 1.02 0.71 0.27 2.60 0.00 -1.26 -3.44 105.19 105.09 1vib n GLY 28 Ca -0.13 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 0.24 -1.16 1.61 3.64 -1.89 -0.18 116.57 118.83 1vib h LYS 29 Ca 0.00 -0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.74 1vib h LYS 29 Cb 0.00 -0.05 -0.36 0.00 -0.41 0.00 0.00 32.23 31.40 1vib h LYS 29 CO 0.00 0.16 -0.04 0.91 -2.27 0.00 0.00 179.45 178.21 1vib n TRP 30 N -5.18 3.05 -1.07 1.91 7.02 0.84 -4.95 117.44 119.06 1vib n TRP 30 Ca 0.15 -2.64 -0.17 0.00 -1.02 0.00 0.00 57.50 53.81 1vib n TRP 30 Cb 0.48 -0.73 -0.07 0.00 -2.42 0.00 0.00 31.31 28.56 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 -0.70 0.39 0.00 6.99 0.00 -0.08 0.22 120.51 127.34 1vib n ALA 31 Ca 0.50 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1vib n ALA 31 Cb 0.71 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 5.04 0.63 0.73 0.00 0.00 -1.26 -4.91 105.19 105.43 1vib n GLY 32 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.57 1.96 -0.17 1.61 4.01 0.13 -4.49 118.16 119.64 1vib n LYS 33 Ca 0.00 -1.45 0.04 0.00 -0.51 0.00 0.00 58.31 56.39 1vib n LYS 33 Cb 0.00 -1.43 0.09 0.00 -0.51 0.00 0.00 35.03 33.18 1vib n LYS 33 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vib n ARG 34 N 0.67 -0.04 -0.21 1.97 5.12 -1.17 -0.35 116.66 122.65 1vib n ARG 34 Ca 0.17 0.75 0.20 0.00 -1.93 0.00 0.00 57.85 57.04 1vib n ARG 34 Cb 0.41 -1.14 0.37 0.00 -1.16 0.00 0.00 32.46 30.95 1vib n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vib n GLY 35 N -1.29 -0.47 0.00 -0.13 0.00 -1.26 -1.22 105.19 100.81 1vib n GLY 35 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1vib n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vib n LYS 36 N -4.41 3.90 -0.35 1.61 5.02 0.52 -4.53 118.16 119.92 1vib n LYS 36 Ca 0.24 0.00 0.26 0.00 -2.02 0.00 0.00 58.31 56.79 1vib n LYS 36 Cb 0.82 -0.64 0.51 0.00 -0.02 0.00 0.00 35.03 35.69 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vib n ALA 38 N -2.36 0.00 -0.25 0.00 0.00 -1.21 -2.89 120.51 113.80 1vib n ALA 38 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.70 1vib n ALA 38 Cb 1.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.29 -0.32 -0.27 0.00 0.00 -0.98 -0.09 120.51 117.56 1vib n ALA 39 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 53.44 53.96 1vib n ALA 39 Cb 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.81 -0.16 0.00 2.76 -0.49 0.35 115.15 116.81 1vib h HIS 40 Ca 0.12 0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.27 1vib h HIS 40 Cb 0.28 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1vib h HIS 40 CO -0.61 -0.38 -0.36 0.00 -1.30 0.00 0.00 177.93 175.28 1vib h ILE 42 N 0.28 1.28 -0.27 0.00 2.10 0.64 -2.59 117.51 118.94 1vib h ILE 42 Ca 0.03 -1.67 0.08 0.00 1.08 0.00 0.00 64.86 64.38 1vib h ILE 42 Cb 0.77 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 38.05 1vib h ILE 42 CO 0.06 0.54 0.39 0.40 -1.08 0.00 0.00 178.15 178.47 1vib h ILE 43 N 0.65 0.27 0.15 2.19 2.04 -0.34 -2.65 117.51 119.83 1vib h ILE 43 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1vib h ILE 43 Cb 1.07 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1vib h ILE 43 CO 0.11 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.74 1vib h GLN 44 N 0.00 -0.20 -0.41 2.37 7.50 -1.49 0.11 115.11 122.99 1vib h GLN 44 Ca 0.13 0.01 0.12 0.00 0.50 0.00 0.00 58.65 59.41 1vib h GLN 44 Cb 0.92 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 1vib h GLN 44 CO -0.00 -0.13 0.74 1.57 -1.50 0.00 0.00 178.83 179.51 1vib h LYS 45 N -0.71 0.00 0.00 1.46 2.10 -1.50 0.33 116.57 118.25 1vib h LYS 45 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1vib h LYS 45 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1vib h LYS 45 CO 0.03 0.00 -0.54 -1.71 -2.00 0.00 0.00 179.45 175.24 1vib n ASN 46 N -3.15 1.81 -0.34 7.07 2.85 -1.10 -3.69 115.26 118.70 1vib n ASN 46 Ca 0.08 0.63 0.28 0.00 -0.11 0.00 0.00 54.58 55.47 1vib n ASN 46 Cb 0.89 -0.88 0.60 0.00 1.24 0.00 0.00 39.78 41.63 1vib n ASN 46 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1vib h ASN 47 N -1.00 0.29 -0.73 1.20 2.35 0.81 0.36 115.58 118.86 1vib h ASN 47 Ca -0.02 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1vib h ASN 47 Cb 0.54 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1vib h ASN 47 CO -0.01 0.03 0.39 0.00 -1.65 0.00 0.00 177.43 176.19 1vib h LYS 49 N 1.02 -0.05 0.00 0.00 1.79 -0.35 0.22 116.57 119.19 1vib h LYS 49 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1vib h LYS 49 Cb 0.05 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1vib h LYS 49 CO -0.04 -0.04 0.00 0.41 -1.08 0.00 0.00 179.45 178.70 1vib n GLY 50 N -1.07 -0.36 0.08 3.86 0.00 -1.22 0.12 105.19 106.59 1vib n GLY 50 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.20 0.48 -0.10 1.61 2.85 0.59 -4.78 118.16 117.61 1vib n LYS 51 Ca 0.03 0.52 -0.13 0.00 -1.05 0.00 0.00 58.31 57.68 1vib n LYS 51 Cb 0.03 -1.69 -0.12 0.00 -0.65 0.00 0.00 35.03 32.61 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vib s LYS 53 N -2.44 2.76 0.32 0.00 -0.14 0.31 -4.88 119.74 115.68 1vib s LYS 53 Ca -0.22 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 53.78 1vib s LYS 53 Cb 0.07 -5.00 -0.12 0.00 -1.68 0.00 0.00 37.83 31.10 1vib s LYS 53 CO 0.60 -3.05 1.49 0.36 -0.76 0.00 0.00 175.35 173.99 1vib n LYS 54 N 8.92 2.53 0.00 1.68 2.85 -1.26 -4.56 118.16 128.32 1vib n LYS 54 Ca 0.35 0.89 0.12 0.00 -1.05 0.00 0.00 58.31 58.63 1vib n LYS 54 Cb 0.48 -2.61 0.10 0.00 -0.65 0.00 0.00 35.03 32.35 1vib n LYS 54 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74