#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 3.84 -0.37 0.00 1.04 -1.26 -5.09 113.70 111.86 1vib s SER 2 Ca 0.00 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 1vib s SER 2 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1vib s SER 2 CO 0.00 0.26 0.47 0.00 0.98 0.00 0.00 173.24 174.94 1vib s ALA 3 N -0.92 3.46 -1.08 5.32 0.00 -1.26 -4.98 121.76 122.30 1vib s ALA 3 Ca 0.15 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 1vib s ALA 3 Cb -0.11 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 1vib s ALA 3 CO 0.05 -1.30 1.92 2.41 0.00 0.00 0.00 175.76 178.84 1vib n THR 4 N 5.41 1.97 0.84 0.00 -1.04 -1.26 -4.58 114.28 115.61 1vib n THR 4 Ca -0.06 -1.97 0.11 0.00 -2.04 0.00 0.00 64.05 60.09 1vib n THR 4 Cb 0.49 -2.22 0.09 0.00 -1.82 0.00 0.00 70.33 66.87 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 12.35 0.11 -0.25 -1.42 7.02 -1.26 -4.35 117.44 129.64 1vib n TRP 5 Ca 0.46 0.03 0.32 0.00 -1.02 0.00 0.00 57.50 57.29 1vib n TRP 5 Cb 0.45 -0.27 0.74 0.00 -2.42 0.00 0.00 31.31 29.80 1vib n TRP 5 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1vib h GLY 6 N 4.82 0.01 -1.27 6.99 0.00 -1.99 0.17 103.07 111.80 1vib h GLY 6 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vib h GLY 6 CO 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1vib n ALA 7 N -2.74 2.46 -0.13 3.60 0.00 -1.26 -3.84 120.51 118.61 1vib n ALA 7 Ca 0.22 -0.64 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 1vib n ALA 7 Cb 1.10 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 0.56 1.41 -2.67 0.00 0.00 0.59 -5.05 120.51 115.36 1vib n ALA 8 Ca 0.14 -1.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.10 1vib n ALA 8 Cb 0.33 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.50 3.21 0.00 0.00 1.13 -1.19 -5.09 117.35 112.91 1vib s TYR 9 Ca -0.35 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 1vib s TYR 9 Cb 0.10 -2.44 0.00 0.00 -1.10 0.00 0.00 41.96 38.52 1vib s TYR 9 CO 0.56 -0.43 0.00 0.00 -2.51 0.00 0.00 175.55 173.17 1vib n ALA 11 N 5.06 0.00 -1.14 9.51 0.00 -1.26 -4.32 120.51 128.36 1vib n ALA 11 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1vib n ALA 11 Cb 0.49 -0.08 0.25 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.64 0.00 -0.17 0.00 2.13 -1.26 -3.95 120.64 116.74 1vib n GLU 13 Ca 0.29 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.17 1vib n GLU 13 Cb 1.04 -0.16 0.12 0.00 0.27 0.00 0.00 31.44 32.71 1vib n GLU 13 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1vib n ASN 14 N -2.89 -0.10 0.00 4.31 0.23 -1.26 -0.48 115.26 115.07 1vib n ASN 14 Ca 0.00 0.85 0.00 0.00 -0.53 0.00 0.00 54.58 54.90 1vib n ASN 14 Cb 0.00 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1vib n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1vib n ASN 15 N -4.65 0.00 -0.17 0.53 6.94 -1.26 -2.69 115.26 113.95 1vib n ASN 15 Ca 0.10 0.18 0.28 0.00 -0.02 0.00 0.00 54.58 55.13 1vib n ASN 15 Cb 0.34 0.00 0.57 0.00 -2.36 0.00 0.00 39.78 38.33 1vib n ASN 15 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vib h ARG 17 N 0.00 -0.21 -0.48 0.00 2.43 -0.88 0.42 114.38 115.66 1vib h ARG 17 Ca 0.45 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.51 1vib h ARG 17 Cb 2.46 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 32.04 1vib h ARG 17 CO -0.00 0.21 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.29 1vib h LYS 18 N -0.75 0.95 -0.78 0.20 3.64 -0.37 -2.69 116.57 116.77 1vib h LYS 18 Ca -0.02 -0.39 0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1vib h LYS 18 Cb 0.52 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 1vib h LYS 18 CO 0.04 1.05 0.33 -0.22 -2.27 0.00 0.00 179.45 178.38 1vib h LYS 19 N 0.81 0.45 -1.00 1.90 1.63 -0.13 1.39 116.57 121.61 1vib h LYS 19 Ca 0.12 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.99 1vib h LYS 19 Cb 0.73 -0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.18 1vib h LYS 19 CO 0.06 0.29 0.64 -0.92 -3.45 0.00 0.00 179.45 176.07 1vib h TYR 20 N 0.46 1.16 0.00 1.91 3.20 0.19 1.37 116.97 125.26 1vib h TYR 20 Ca 0.44 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1vib h TYR 20 Cb 0.68 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1vib h TYR 20 CO -0.16 0.52 -0.28 -0.25 -1.64 0.00 0.00 178.16 176.35 1vib n ASP 21 N -4.57 0.47 -0.48 -2.11 8.00 0.17 -2.92 116.55 115.11 1vib n ASP 21 Ca 0.18 0.23 0.06 0.00 0.71 0.00 0.00 54.79 55.97 1vib n ASP 21 Cb 0.29 -0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.81 2.90 -0.05 0.64 4.77 0.43 -4.48 117.00 119.40 1vib n LEU 22 Ca 0.05 -2.47 -0.08 0.00 -0.03 0.00 0.00 56.01 53.48 1vib n LEU 22 Cb 0.38 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1vib n LEU 22 CO 0.32 0.66 -0.86 0.00 -1.33 0.00 0.00 177.39 176.19 1vib n ILE 24 N -2.90 0.00 -1.68 0.00 5.41 -1.15 -4.65 119.36 114.39 1vib n ILE 24 Ca -0.19 -0.30 -0.32 0.00 1.00 0.00 0.00 62.75 62.94 1vib n ILE 24 Cb 0.70 -0.76 -0.04 0.00 -0.71 0.00 0.00 39.64 38.83 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 5.17 3.22 0.16 0.38 5.12 -1.26 -4.52 116.66 124.92 1vib n ARG 25 Ca 0.17 -2.76 0.10 0.00 -1.93 0.00 0.00 57.85 53.43 1vib n ARG 25 Cb 0.31 -2.32 0.52 0.00 -1.16 0.00 0.00 32.46 29.81 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 -3.48 2.45 0.00 0.00 0.00 -1.26 -3.48 119.66 113.88 1vib s GLN 27 Ca -0.02 -0.96 0.00 0.00 -0.00 0.00 0.00 55.36 54.38 1vib s GLN 27 Cb 0.05 -2.45 0.00 0.00 0.00 0.00 0.00 33.01 30.62 1vib s GLN 27 CO 0.17 0.50 0.00 0.41 0.00 0.00 0.00 175.29 176.38 1vib n GLY 28 N 0.30 1.65 0.11 2.60 0.00 -1.26 -3.75 105.19 104.84 1vib n GLY 28 Ca -0.11 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.70 -1.27 1.61 2.85 -1.25 -3.96 118.16 116.86 1vib n LYS 29 Ca 0.00 0.28 -0.31 0.00 -1.05 0.00 0.00 58.31 57.22 1vib n LYS 29 Cb 0.00 -1.75 0.09 0.00 -0.65 0.00 0.00 35.03 32.73 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 -3.29 3.04 -0.84 5.58 7.02 0.26 -4.89 117.44 124.32 1vib n TRP 30 Ca -0.25 -2.74 -0.20 0.00 -1.02 0.00 0.00 57.50 53.29 1vib n TRP 30 Cb 1.05 -1.32 -0.06 0.00 -2.42 0.00 0.00 31.31 28.55 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 0.41 0.00 6.99 0.00 -1.23 0.11 120.51 125.95 1vib n ALA 31 Ca 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1vib n ALA 31 Cb 0.82 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 4.46 1.65 0.00 0.00 0.00 -1.26 -4.90 105.19 105.13 1vib n GLY 32 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.82 0.98 -0.19 1.61 4.76 0.30 -4.26 118.16 120.54 1vib n LYS 33 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1vib n LYS 33 Cb 0.00 -1.49 -0.00 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 -0.99 -0.14 -0.20 1.97 3.00 -0.95 0.13 116.66 119.48 1vib n ARG 34 Ca 0.23 0.73 0.20 0.00 -0.00 0.00 0.00 57.85 59.01 1vib n ARG 34 Cb 0.11 -1.09 0.37 0.00 0.00 0.00 0.00 32.46 31.85 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 -1.20 -0.47 0.00 5.14 0.00 -1.26 0.05 105.19 107.46 1vib n GLY 35 Ca 0.04 0.50 0.02 0.00 0.00 0.00 0.00 46.02 46.58 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 -4.36 2.88 -0.22 1.61 5.02 0.12 -4.67 118.16 118.54 1vib n LYS 36 Ca 0.24 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.51 1vib n LYS 36 Cb 0.81 -0.90 0.09 0.00 -0.02 0.00 0.00 35.03 35.01 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 -3.01 0.00 -0.38 0.00 0.00 -1.17 -1.00 120.51 114.94 1vib n ALA 38 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 1vib n ALA 38 Cb 0.36 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.92 -0.37 -0.34 0.00 0.00 -1.12 -0.42 120.51 117.33 1vib n ALA 39 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 53.44 54.36 1vib n ALA 39 Cb 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.49 -0.06 0.00 2.76 -1.02 0.53 115.15 116.87 1vib h HIS 40 Ca 0.23 0.09 -0.15 0.00 -2.20 0.00 0.00 60.37 58.34 1vib h HIS 40 Cb 0.47 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1vib h HIS 40 CO -0.90 -0.41 -0.64 0.00 -1.30 0.00 0.00 177.93 174.68 1vib h ILE 42 N 0.17 1.22 -0.71 0.00 2.10 0.10 -2.54 117.51 117.85 1vib h ILE 42 Ca -0.01 -0.71 0.21 0.00 1.08 0.00 0.00 64.86 65.43 1vib h ILE 42 Cb 1.16 1.48 -0.03 0.00 -1.09 0.00 0.00 36.82 38.34 1vib h ILE 42 CO 0.10 0.20 0.87 0.40 -1.08 0.00 0.00 178.15 178.64 1vib h ILE 43 N -0.05 0.14 0.08 2.19 2.04 -0.60 0.32 117.51 121.63 1vib h ILE 43 Ca 0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.75 1vib h ILE 43 Cb 0.30 0.29 0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1vib h ILE 43 CO 0.00 0.00 -0.62 1.56 0.00 0.00 0.00 178.15 179.09 1vib h GLN 44 N 0.00 0.28 -0.01 2.37 7.50 -1.53 0.21 115.11 123.93 1vib h GLN 44 Ca 0.34 -0.41 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1vib h GLN 44 Cb 2.08 0.14 -0.00 0.00 0.05 0.00 0.00 27.48 29.75 1vib h GLN 44 CO -0.00 1.15 0.01 1.57 -1.50 0.00 0.00 178.83 180.06 1vib h LYS 45 N -0.40 0.00 0.00 1.46 2.10 -0.42 -1.53 116.57 117.78 1vib h LYS 45 Ca -0.10 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.34 1vib h LYS 45 Cb 1.43 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.73 1vib h LYS 45 CO 0.12 0.00 -1.25 -1.71 -2.00 0.00 0.00 179.45 174.61 1vib n ASN 46 N -4.01 1.86 -0.21 7.07 2.85 -1.01 -4.13 115.26 117.69 1vib n ASN 46 Ca -0.03 0.45 -0.01 0.00 -0.11 0.00 0.00 54.58 54.88 1vib n ASN 46 Cb 0.10 -0.93 0.06 0.00 1.24 0.00 0.00 39.78 40.24 1vib n ASN 46 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1vib h ASN 47 N -1.00 -0.62 -0.89 1.20 -1.24 -0.44 -1.51 115.58 111.08 1vib h ASN 47 Ca -0.32 0.19 0.14 0.00 0.71 0.00 0.00 56.30 57.03 1vib h ASN 47 Cb 1.19 0.40 -0.15 0.00 0.73 0.00 0.00 38.32 40.49 1vib h ASN 47 CO -0.19 -0.21 -0.37 0.00 -1.29 0.00 0.00 177.43 175.36 1vib h LYS 49 N -0.04 0.00 0.00 0.00 1.57 -1.39 0.44 116.57 117.15 1vib h LYS 49 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1vib h LYS 49 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1vib h LYS 49 CO -0.91 0.00 -0.31 0.41 -0.57 0.00 0.00 179.45 178.07 1vib n GLY 50 N -1.45 4.47 0.09 3.86 0.00 0.35 -4.46 105.19 108.05 1vib n GLY 50 Ca 0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.09 0.34 0.00 1.61 2.85 0.16 -4.97 118.16 117.06 1vib n LYS 51 Ca 0.16 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1vib n LYS 51 Cb 0.70 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.34 1.91 -0.13 0.00 0.00 -1.26 -5.05 119.74 114.87 1vib s LYS 53 Ca 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 55.97 53.13 1vib s LYS 53 Cb 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 37.83 35.07 1vib s LYS 53 CO 0.00 -1.28 -0.01 0.21 0.00 0.00 0.00 175.35 174.27 1vib s LYS 54 N -0.77 0.92 0.00 1.78 2.47 -1.26 -4.64 119.74 118.24 1vib s LYS 54 Ca 0.25 -0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.44 1vib s LYS 54 Cb -0.07 -1.59 0.00 0.00 -1.46 0.00 0.00 37.83 34.71 1vib s LYS 54 CO -0.14 -0.42 0.36 -1.91 0.16 0.00 0.00 175.35 173.40