#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 3.76 -3.19 0.00 7.64 -1.26 -4.78 113.62 115.79 1vib n SER 2 Ca 0.00 -2.80 -0.35 0.00 1.01 0.00 0.00 58.87 56.73 1vib n SER 2 Cb 0.00 -1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.57 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 8.80 7.21 -3.18 -0.43 0.00 -1.26 -4.70 120.51 126.94 1vib n ALA 3 Ca 0.49 -3.24 -0.37 0.00 0.00 0.00 0.00 53.44 50.32 1vib n ALA 3 Cb 0.43 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.60 1vib n ALA 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vib n THR 4 N 3.55 4.13 -4.17 0.00 -1.04 -1.26 -4.99 114.28 110.50 1vib n THR 4 Ca 0.73 -5.64 -0.08 0.00 -2.04 0.00 0.00 64.05 57.02 1vib n THR 4 Cb 0.27 -2.10 -0.02 0.00 -1.82 0.00 0.00 70.33 66.67 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1vib n TRP 5 N 1.16 0.12 0.00 -1.42 7.02 -1.26 -4.94 117.44 118.12 1vib n TRP 5 Ca 0.27 -0.76 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 1vib n TRP 5 Cb 0.36 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 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 1.92 3.60 0.16 6.99 0.00 -1.26 -4.88 105.19 111.72 1vib n GLY 6 Ca -0.03 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 1vib n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vib h ALA 7 N 0.00 0.01 -0.48 4.61 0.00 -2.04 -3.18 119.26 118.19 1vib h ALA 7 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1vib h ALA 7 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1vib h ALA 7 CO 0.00 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1vib n ALA 8 N -2.65 2.41 0.00 0.00 0.00 -1.26 -4.90 120.51 114.11 1vib n ALA 8 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1vib n ALA 8 Cb 1.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1vib n ALA 8 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1vib n TYR 9 N 1.56 0.00 0.00 0.00 9.36 -1.20 -0.93 117.16 125.95 1vib n TYR 9 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1vib n TYR 9 Cb 0.62 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 1vib n TYR 9 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vib n ALA 11 N 0.45 0.00 -0.53 2.98 0.00 -1.26 -2.69 120.51 119.45 1vib n ALA 11 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.87 1vib n ALA 11 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 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 -4.28 1.14 0.08 0.00 0.00 -1.09 -4.57 120.64 111.92 1vib n GLU 13 Ca 0.38 0.03 -0.08 0.00 0.00 0.00 0.00 57.16 57.48 1vib n GLU 13 Cb 1.64 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 31.67 1vib n GLU 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1vib h ASN 14 N 0.00 0.26 -0.51 4.31 -0.26 -1.45 -2.78 115.58 115.16 1vib h ASN 14 Ca -0.44 -0.21 0.10 0.00 -0.56 0.00 0.00 56.30 55.19 1vib h ASN 14 Cb 1.92 -0.08 -0.09 0.00 -1.06 0.00 0.00 38.32 39.01 1vib h ASN 14 CO -0.00 0.99 -0.04 -0.55 -1.06 0.00 0.00 177.43 176.77 1vib h ASN 15 N 0.12 -0.29 1.07 5.81 7.08 -0.97 0.28 115.58 128.67 1vib h ASN 15 Ca -0.04 0.13 -0.08 0.00 -3.08 0.00 0.00 56.30 53.23 1vib h ASN 15 Cb 1.46 0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 37.94 1vib h ASN 15 CO 0.13 -0.10 -0.40 0.00 -2.08 0.00 0.00 177.43 174.98 1vib h ARG 17 N 0.00 0.40 0.03 0.00 2.43 -0.27 0.28 114.38 117.25 1vib h ARG 17 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1vib h ARG 17 Cb 1.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1vib h ARG 17 CO 0.05 0.32 -0.01 0.87 -1.51 0.00 0.00 179.97 179.69 1vib h LYS 18 N 0.37 -0.04 -0.83 0.20 1.57 -0.82 -3.20 116.57 113.82 1vib h LYS 18 Ca 0.10 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.05 1vib h LYS 18 Cb 0.02 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.19 1vib h LYS 18 CO -0.02 0.53 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.92 1vib h LYS 19 N -0.64 -0.02 -1.01 3.15 1.63 -0.53 0.69 116.57 119.84 1vib h LYS 19 Ca -0.00 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.06 1vib h LYS 19 Cb 0.59 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.10 1vib h LYS 19 CO 0.01 -0.02 0.61 -0.92 -3.45 0.00 0.00 179.45 175.68 1vib h TYR 20 N -0.02 0.95 0.00 1.91 3.20 -0.44 1.57 116.97 124.14 1vib h TYR 20 Ca 0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1vib h TYR 20 Cb 0.61 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1vib h TYR 20 CO -0.69 0.03 -0.52 -0.25 -1.64 0.00 0.00 178.16 175.08 1vib n ASP 21 N -4.87 0.66 -0.56 -2.11 8.00 0.20 -2.74 116.55 115.12 1vib n ASP 21 Ca 0.28 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.98 1vib n ASP 21 Cb 0.81 0.05 0.20 0.00 -0.02 0.00 0.00 41.12 42.15 1vib n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vib n LEU 22 N -2.03 3.14 0.00 0.64 4.77 0.26 -4.52 117.00 119.27 1vib n LEU 22 Ca 0.04 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 1vib n LEU 22 Cb 0.42 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1vib n LEU 22 CO 0.35 0.87 -0.36 0.00 -1.33 0.00 0.00 177.39 176.93 1vib n ILE 24 N -2.12 0.00 -2.08 0.00 5.41 -1.11 -4.65 119.36 114.82 1vib n ILE 24 Ca 0.00 -0.09 -0.40 0.00 1.00 0.00 0.00 62.75 63.26 1vib n ILE 24 Cb 0.36 -1.82 0.03 0.00 -0.71 0.00 0.00 39.64 37.50 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 7.90 3.30 0.00 0.38 3.00 -1.26 -4.75 116.66 125.23 1vib n ARG 25 Ca 0.39 -3.77 0.00 0.00 -0.01 0.00 0.00 57.85 54.45 1vib n ARG 25 Cb 0.47 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vib n GLN 27 N -0.61 1.57 0.00 0.00 0.00 -1.26 -4.02 117.38 113.06 1vib n GLN 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1vib n GLN 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1vib n GLN 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vib n GLY 28 N 5.00 0.00 0.08 2.61 0.00 -1.26 0.96 105.19 112.58 1vib n GLY 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vib n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vib n LYS 29 N -0.60 0.45 -0.71 1.61 2.85 -1.25 -3.98 118.16 116.54 1vib n LYS 29 Ca 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1vib n LYS 29 Cb 0.00 -1.74 0.20 0.00 -0.65 0.00 0.00 35.03 32.85 1vib n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1vib n TRP 30 N -2.37 0.67 -1.76 5.58 7.02 0.27 -4.94 117.44 121.92 1vib n TRP 30 Ca 0.01 -1.53 -0.19 0.00 -1.02 0.00 0.00 57.50 54.77 1vib n TRP 30 Cb 0.50 -0.39 -0.10 0.00 -2.42 0.00 0.00 31.31 28.89 1vib n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1vib s ALA 31 N -3.22 0.89 0.00 6.99 0.00 0.52 -0.16 121.76 126.78 1vib s ALA 31 Ca 0.42 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1vib s ALA 31 Cb 0.39 -4.70 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1vib s ALA 31 CO -0.02 -6.41 0.00 0.41 0.00 0.00 0.00 175.76 169.74 1vib n GLY 32 N 6.02 1.03 1.38 0.00 0.00 -1.26 -4.91 105.19 107.45 1vib n GLY 32 Ca 0.42 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 3.77 -2.02 1.61 4.01 0.78 -4.96 118.16 121.35 1vib n LYS 33 Ca 0.00 -2.88 -0.42 0.00 -0.51 0.00 0.00 58.31 54.50 1vib n LYS 33 Cb 0.00 -1.93 -0.03 0.00 -0.51 0.00 0.00 35.03 32.56 1vib n LYS 33 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1vib s ARG 34 N -2.33 4.24 0.00 1.97 1.81 -1.14 -0.59 118.95 122.91 1vib s ARG 34 Ca 0.47 2.24 0.00 0.00 -1.72 0.00 0.00 55.73 56.72 1vib s ARG 34 Cb 0.34 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1vib s ARG 34 CO 0.16 -0.59 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 1vib n GLY 35 N 3.74 1.29 0.13 -3.53 0.00 -1.26 -4.78 105.19 100.79 1vib n GLY 35 Ca 0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.64 -0.34 1.61 3.00 -0.39 -4.16 118.16 118.52 1vib n LYS 36 Ca 0.00 0.18 0.08 0.00 -0.00 0.00 0.00 58.31 58.58 1vib n LYS 36 Cb 0.00 -1.52 0.18 0.00 0.00 0.00 0.00 35.03 33.69 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vib n ALA 38 N -3.50 0.00 -0.37 0.00 0.00 -1.26 -1.50 120.51 113.88 1vib n ALA 38 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 1vib n ALA 38 Cb 0.56 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.77 -0.19 -0.37 0.00 0.00 -0.97 -0.35 120.51 116.86 1vib n ALA 39 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 53.44 54.37 1vib n ALA 39 Cb 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.16 1vib n ALA 39 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1vib n HIS 40 N -5.35 0.15 -0.02 0.00 -0.00 -0.59 -0.07 115.22 109.35 1vib n HIS 40 Ca 0.08 1.22 -0.13 0.00 0.46 0.00 0.00 57.72 59.35 1vib n HIS 40 Cb 0.36 -0.95 -0.10 0.00 -0.12 0.00 0.00 29.99 29.17 1vib n HIS 40 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1vib h ILE 42 N -0.52 0.23 -1.39 0.00 2.10 0.26 0.82 117.51 119.01 1vib h ILE 42 Ca 0.00 0.00 0.40 0.00 1.08 0.00 0.00 64.86 66.34 1vib h ILE 42 Cb 0.54 0.23 -0.06 0.00 -1.09 0.00 0.00 36.82 36.44 1vib h ILE 42 CO 0.00 0.00 1.08 0.40 -1.08 0.00 0.00 178.15 178.55 1vib h ILE 43 N -0.24 0.20 0.04 2.19 2.04 -0.55 0.50 117.51 121.69 1vib h ILE 43 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1vib h ILE 43 Cb 0.54 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1vib h ILE 43 CO -0.55 0.00 -0.02 1.56 0.00 0.00 0.00 178.15 179.15 1vib h GLN 44 N 0.00 -0.05 -0.48 2.37 7.50 -0.89 0.35 115.11 123.91 1vib h GLN 44 Ca 0.66 0.00 0.14 0.00 0.50 0.00 0.00 58.65 59.95 1vib h GLN 44 Cb 2.81 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 30.34 1vib h GLN 44 CO -0.01 0.61 0.40 1.57 -1.50 0.00 0.00 178.83 179.90 1vib h LYS 45 N -0.86 0.00 0.00 1.46 2.10 -0.92 0.20 116.57 118.55 1vib h LYS 45 Ca -0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1vib h LYS 45 Cb 0.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1vib h LYS 45 CO 0.01 0.00 -0.75 -0.91 -2.00 0.00 0.00 179.45 175.80 1vib h ASN 46 N 0.00 0.00 -0.84 7.07 2.35 -1.44 -3.33 115.58 119.39 1vib h ASN 46 Ca 0.23 -0.35 0.21 0.00 -0.55 0.00 0.00 56.30 55.85 1vib h ASN 46 Cb 1.03 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.26 1vib h ASN 46 CO -0.00 1.10 0.18 -1.13 -1.65 0.00 0.00 177.43 175.92 1vib h ASN 47 N -1.00 -0.08 -0.89 5.81 -1.24 0.23 0.16 115.58 118.57 1vib h ASN 47 Ca -0.16 0.19 0.16 0.00 0.71 0.00 0.00 56.30 57.20 1vib h ASN 47 Cb 0.88 0.28 -0.16 0.00 0.73 0.00 0.00 38.32 40.05 1vib h ASN 47 CO -0.10 -0.15 -0.30 0.00 -1.29 0.00 0.00 177.43 175.59 1vib h LYS 49 N -0.03 0.43 -0.56 0.00 1.57 -0.78 0.30 116.57 117.51 1vib h LYS 49 Ca 0.37 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.29 1vib h LYS 49 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1vib h LYS 49 CO -0.92 0.29 0.75 0.78 -0.57 0.00 0.00 179.45 179.78 1vib h GLY 50 N 0.45 0.00 0.00 3.86 0.00 0.27 0.78 103.07 108.43 1vib h GLY 50 Ca 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.98 1vib h GLY 50 CO -0.54 0.00 -1.55 0.58 0.00 0.00 0.00 176.54 175.03 1vib n LYS 51 N -3.36 0.61 -0.11 4.80 2.85 1.00 -4.73 118.16 119.22 1vib n LYS 51 Ca 0.11 -0.09 -0.18 0.00 -1.05 0.00 0.00 58.31 57.10 1vib n LYS 51 Cb 0.94 -1.27 -0.06 0.00 -0.65 0.00 0.00 35.03 33.99 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 -4.32 4.11 0.02 0.00 5.02 0.24 -4.40 118.16 118.83 1vib n LYS 53 Ca -0.33 -2.78 -0.09 0.00 -2.02 0.00 0.00 58.31 53.10 1vib n LYS 53 Cb 0.68 -2.72 -0.13 0.00 -0.02 0.00 0.00 35.03 32.84 1vib n LYS 53 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1vib h LYS 54 N 4.80 0.03 -0.01 1.97 2.10 -1.82 -3.44 116.57 120.21 1vib h LYS 54 Ca 0.80 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.39 1vib h LYS 54 Cb 0.30 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1vib h LYS 54 CO 1.64 0.77 0.00 0.39 -2.00 0.00 0.00 179.45 180.24