#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 5.89 -1.06 0.00 1.04 -1.26 -5.03 113.70 113.28 1vib s SER 2 Ca 0.00 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 1vib s SER 2 Cb 0.00 -1.59 0.31 0.00 0.10 0.00 0.00 66.02 64.85 1vib s SER 2 CO 0.00 -0.65 1.56 0.00 0.98 0.00 0.00 173.24 175.13 1vib n ALA 3 N -2.04 5.39 -3.76 5.32 0.00 -1.26 -4.94 120.51 119.23 1vib n ALA 3 Ca 0.01 -4.76 -0.23 0.00 0.00 0.00 0.00 53.44 48.45 1vib n ALA 3 Cb 0.57 -2.30 -0.17 0.00 0.00 0.00 0.00 19.45 17.55 1vib n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1vib s THR 4 N -3.17 0.34 -0.16 0.00 -1.32 -1.26 -5.00 115.64 105.08 1vib s THR 4 Ca 0.33 0.09 0.14 0.00 -1.21 0.00 0.00 61.69 61.04 1vib s THR 4 Cb 0.08 -0.54 0.38 0.00 -1.51 0.00 0.00 72.50 70.91 1vib s THR 4 CO 0.05 0.21 1.19 0.79 -2.21 0.00 0.00 174.62 174.66 1vib n TRP 5 N 5.15 0.00 -0.08 9.09 7.02 -1.26 -4.63 117.44 132.72 1vib n TRP 5 Ca -0.07 -1.23 -0.09 0.00 -1.02 0.00 0.00 57.50 55.09 1vib n TRP 5 Cb 0.50 -0.21 -0.16 0.00 -2.42 0.00 0.00 31.31 29.02 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 -0.98 -1.00 0.72 6.99 0.00 -1.26 -4.15 105.19 105.51 1vib n GLY 6 Ca 0.16 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.70 2.46 0.25 4.61 0.00 -1.26 -3.91 120.51 119.96 1vib n ALA 7 Ca -0.29 -0.68 0.10 0.00 0.00 0.00 0.00 53.44 52.57 1vib n ALA 7 Cb 1.12 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.42 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 0.63 3.26 -2.74 0.00 0.00 -1.26 -5.08 120.51 115.33 1vib n ALA 8 Ca 0.15 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 1vib n ALA 8 Cb 0.35 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.28 3.25 0.00 0.00 1.13 -1.25 -5.08 117.35 112.12 1vib s TYR 9 Ca -0.03 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1vib s TYR 9 Cb 0.14 -2.26 0.00 0.00 -1.10 0.00 0.00 41.96 38.74 1vib s TYR 9 CO 0.84 -0.04 0.00 0.00 -2.51 0.00 0.00 175.55 173.85 1vib n ALA 11 N 4.43 0.00 -1.53 9.51 0.00 -1.26 -4.06 120.51 127.60 1vib n ALA 11 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1vib n ALA 11 Cb 0.52 -0.08 0.20 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.12 0.00 -0.18 0.00 0.00 -1.26 -3.98 120.64 114.10 1vib n GLU 13 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.46 1vib n GLU 13 Cb 0.89 -0.01 0.06 0.00 0.00 0.00 0.00 31.44 32.39 1vib n GLU 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1vib n ASN 14 N -2.61 -0.19 0.26 4.31 2.04 -1.26 0.19 115.26 118.00 1vib n ASN 14 Ca 0.00 0.85 -0.11 0.00 -0.44 0.00 0.00 54.58 54.88 1vib n ASN 14 Cb 0.00 -0.25 -0.05 0.00 -2.53 0.00 0.00 39.78 36.95 1vib n ASN 14 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1vib h ASN 15 N 0.00 -0.59 0.74 0.53 -1.07 -1.90 -1.08 115.58 112.21 1vib h ASN 15 Ca 0.23 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.62 1vib h ASN 15 Cb 0.35 0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 1vib h ASN 15 CO -0.51 -0.22 0.00 0.00 0.07 0.00 0.00 177.43 176.77 1vib h ARG 17 N 0.00 0.00 -0.26 0.00 9.65 -0.29 -0.77 114.38 122.71 1vib h ARG 17 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1vib h ARG 17 Cb 0.37 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 1vib h ARG 17 CO 0.00 0.32 0.06 0.87 2.80 0.00 0.00 179.97 184.02 1vib h LYS 18 N -1.00 0.15 -0.10 0.20 1.79 -1.13 -1.18 116.57 115.31 1vib h LYS 18 Ca -0.04 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1vib h LYS 18 Cb 0.49 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 1vib h LYS 18 CO -0.03 0.10 -0.32 -0.22 -1.08 0.00 0.00 179.45 177.91 1vib h LYS 19 N 0.16 -0.40 -0.65 3.15 1.63 -0.69 0.26 116.57 120.03 1vib h LYS 19 Ca 0.12 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.11 1vib h LYS 19 Cb 0.11 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1vib h LYS 19 CO -0.15 -0.27 0.46 -0.92 -3.45 0.00 0.00 179.45 175.12 1vib h TYR 20 N -0.41 0.15 0.00 1.91 3.20 -0.43 0.61 116.97 121.99 1vib h TYR 20 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1vib h TYR 20 Cb 0.55 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1vib h TYR 20 CO -0.39 0.05 -0.23 -0.25 -1.64 0.00 0.00 178.16 175.71 1vib n ASP 21 N -4.39 0.35 -0.05 -2.11 8.00 0.64 -3.21 116.55 115.78 1vib n ASP 21 Ca 0.12 0.24 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 1vib n ASP 21 Cb 0.64 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.68 0.44 0.17 0.64 4.77 0.40 -4.55 117.00 117.19 1vib n LEU 22 Ca 0.06 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1vib n LEU 22 Cb 0.36 0.13 0.30 0.00 -2.33 0.00 0.00 43.42 41.88 1vib n LEU 22 CO 0.31 0.29 0.65 0.00 -1.33 0.00 0.00 177.39 177.30 1vib n ILE 24 N -3.93 2.80 -2.37 0.00 5.41 -1.20 -4.64 119.36 115.43 1vib n ILE 24 Ca -0.01 -2.88 -0.40 0.00 1.00 0.00 0.00 62.75 60.46 1vib n ILE 24 Cb 0.48 -2.27 0.03 0.00 -0.71 0.00 0.00 39.64 37.17 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 8.17 4.38 0.00 0.38 5.12 -1.26 -4.66 116.66 128.79 1vib n ARG 25 Ca 0.47 -4.24 0.01 0.00 -1.93 0.00 0.00 57.85 52.16 1vib n ARG 25 Cb 0.46 -2.39 0.06 0.00 -1.16 0.00 0.00 32.46 29.43 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 -2.74 2.90 0.91 0.00 0.00 -1.26 -3.79 119.66 115.67 1vib s GLN 27 Ca 0.02 -0.73 0.00 0.00 -0.00 0.00 0.00 55.36 54.65 1vib s GLN 27 Cb 0.02 -2.71 0.00 0.00 0.00 0.00 0.00 33.01 30.31 1vib s GLN 27 CO 0.04 0.55 0.00 0.41 0.00 0.00 0.00 175.29 176.29 1vib n GLY 28 N 0.26 0.26 0.32 2.60 0.00 -1.26 -2.86 105.19 104.50 1vib n GLY 28 Ca -0.08 0.49 0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 0.07 -0.80 1.61 3.64 -1.89 0.28 116.57 119.47 1vib h LYS 29 Ca 0.00 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 1vib h LYS 29 Cb 0.00 -0.02 -0.38 0.00 -0.41 0.00 0.00 32.23 31.42 1vib h LYS 29 CO 0.00 0.05 -0.35 0.91 -2.27 0.00 0.00 179.45 177.79 1vib n TRP 30 N -5.41 2.83 -0.92 1.91 7.02 0.00 -4.98 117.44 117.89 1vib n TRP 30 Ca 0.19 -2.42 -0.07 0.00 -1.02 0.00 0.00 57.50 54.18 1vib n TRP 30 Cb 0.64 -0.64 -0.02 0.00 -2.42 0.00 0.00 31.31 28.86 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 -0.78 0.14 0.00 6.99 0.00 0.98 0.13 120.51 127.97 1vib n ALA 31 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1vib n ALA 31 Cb 0.89 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 3.77 2.37 0.00 0.00 0.00 -1.26 -4.90 105.19 105.17 1vib n GLY 32 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.39 0.81 -0.02 1.61 4.01 0.34 -4.44 118.16 120.08 1vib n LYS 33 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1vib n LYS 33 Cb 0.00 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.01 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 -1.09 -0.02 -0.57 1.97 3.00 -0.87 0.58 116.66 119.65 1vib n ARG 34 Ca 0.21 0.46 0.45 0.00 -0.00 0.00 0.00 57.85 58.97 1vib n ARG 34 Cb 0.15 -0.69 0.73 0.00 0.00 0.00 0.00 32.46 32.65 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 -1.01 -0.89 0.11 5.14 0.00 -1.26 0.97 105.19 108.25 1vib n GLY 35 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 46.02 46.59 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 -4.30 0.68 -0.00 1.61 3.00 0.20 -2.50 118.16 116.85 1vib n LYS 36 Ca 0.41 0.17 -0.10 0.00 -0.00 0.00 0.00 58.31 58.79 1vib n LYS 36 Cb 1.74 -1.64 -0.05 0.00 0.00 0.00 0.00 35.03 35.09 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vib h ALA 38 N 1.07 -0.87 -0.45 0.00 0.00 -0.81 -2.36 119.26 115.84 1vib h ALA 38 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1vib h ALA 38 Cb 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1vib h ALA 38 CO -0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 179.25 178.07 1vib n ALA 39 N -2.09 -0.29 -0.29 0.00 0.00 -1.04 0.76 120.51 117.56 1vib n ALA 39 Ca -0.02 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 1vib n ALA 39 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.03 -0.26 0.83 0.00 -0.00 0.87 0.55 115.22 113.19 1vib n HIS 40 Ca 0.01 0.88 0.13 0.00 0.46 0.00 0.00 57.72 59.19 1vib n HIS 40 Cb 0.12 -0.59 0.34 0.00 -0.12 0.00 0.00 29.99 29.74 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 0.00 1.46 0.00 0.00 2.04 0.58 -2.68 117.51 118.91 1vib h ILE 42 Ca 0.00 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1vib h ILE 42 Cb 0.60 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1vib h ILE 42 CO 0.00 0.82 0.00 -0.38 0.00 0.00 0.00 178.15 178.59 1vib n ILE 43 N -3.63 0.00 -0.01 -0.67 5.41 0.64 -3.43 119.36 117.68 1vib n ILE 43 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.66 1vib n ILE 43 Cb 0.94 -0.50 -0.00 0.00 -0.71 0.00 0.00 39.64 39.36 1vib n ILE 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vib n GLN 44 N -0.87 0.09 -0.50 0.38 3.00 -1.01 -1.38 117.38 117.08 1vib n GLN 44 Ca 0.13 0.29 0.41 0.00 -0.01 0.00 0.00 57.00 57.82 1vib n GLN 44 Cb 0.06 -0.92 0.67 0.00 0.00 0.00 0.00 30.24 30.04 1vib n GLN 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1vib n LYS 45 N -2.71 -0.03 -0.03 -1.09 -0.00 -1.21 0.67 118.16 113.77 1vib n LYS 45 Ca -0.01 1.14 -0.11 0.00 -0.00 0.00 0.00 58.31 59.33 1vib n LYS 45 Cb 0.05 -2.32 -0.14 0.00 -0.00 0.00 0.00 35.03 32.62 1vib n LYS 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1vib n ASN 46 N -4.39 0.97 -0.03 -5.58 5.15 -1.22 -4.05 115.26 106.11 1vib n ASN 46 Ca 0.39 0.34 -0.15 0.00 -0.60 0.00 0.00 54.58 54.55 1vib n ASN 46 Cb 1.57 -0.07 -0.09 0.00 -0.53 0.00 0.00 39.78 40.66 1vib n ASN 46 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1vib h ASN 47 N 0.01 0.49 -0.73 1.20 2.35 0.15 -3.30 115.58 115.75 1vib h ASN 47 Ca -0.33 -0.65 0.09 0.00 -0.55 0.00 0.00 56.30 54.86 1vib h ASN 47 Cb 2.04 -0.14 -0.10 0.00 0.05 0.00 0.00 38.32 40.16 1vib h ASN 47 CO 0.07 1.05 -0.36 0.00 -1.65 0.00 0.00 177.43 176.54 1vib h LYS 49 N 0.00 0.00 -0.31 0.00 1.57 -1.69 0.71 116.57 116.85 1vib h LYS 49 Ca 0.18 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1vib h LYS 49 Cb 0.36 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 1vib h LYS 49 CO -0.70 0.00 -0.06 0.41 -0.57 0.00 0.00 179.45 178.53 1vib n GLY 50 N -1.46 4.71 0.80 3.86 0.00 0.96 -3.31 105.19 110.74 1vib n GLY 50 Ca 0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.00 0.14 -0.12 1.61 2.85 0.25 -4.99 118.16 116.90 1vib n LYS 51 Ca 0.30 0.06 -0.23 0.00 -1.05 0.00 0.00 58.31 57.39 1vib n LYS 51 Cb 0.98 -0.74 -0.08 0.00 -0.65 0.00 0.00 35.03 34.55 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 -4.22 0.00 -1.33 0.00 4.01 -1.26 -5.15 118.16 110.20 1vib n LYS 53 Ca -0.42 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.38 1vib n LYS 53 Cb 0.77 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.29 1vib n LYS 53 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1vib n LYS 54 N 0.00 1.95 0.00 1.97 0.00 -1.26 -4.91 118.16 115.91 1vib n LYS 54 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1vib n LYS 54 Cb 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 35.03 35.50 1vib n LYS 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49