#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 3.72 -3.63 0.00 3.41 -1.26 -4.74 113.62 111.12 1vib n SER 2 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1vib n SER 2 Cb 0.00 0.63 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vib n ALA 3 N -2.19 6.05 -0.68 7.33 0.00 -1.26 -4.93 120.51 124.83 1vib n ALA 3 Ca -0.08 -4.61 -0.36 0.00 0.00 0.00 0.00 53.44 48.38 1vib n ALA 3 Cb 0.67 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.06 0.86 -0.04 0.00 -1.04 -1.26 -4.37 114.28 108.37 1vib n THR 4 Ca 0.47 -0.69 0.05 0.00 -2.04 0.00 0.00 64.05 61.84 1vib n THR 4 Cb 0.26 -2.06 0.13 0.00 -1.82 0.00 0.00 70.33 66.84 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 7.49 0.35 -0.06 -1.42 7.02 -1.26 -4.00 117.44 125.57 1vib n TRP 5 Ca 0.42 -0.39 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 1vib n TRP 5 Cb 0.33 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.16 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 0.51 -0.17 0.63 6.99 0.00 -1.26 -4.40 105.19 107.49 1vib n GLY 6 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.25 2.48 -0.11 4.61 0.00 -1.26 -3.74 120.51 119.24 1vib n ALA 7 Ca -0.21 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 1vib n ALA 7 Cb 0.68 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 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 0.47 1.49 -2.90 0.00 0.00 -1.26 -5.12 120.51 113.20 1vib n ALA 8 Ca 0.14 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.22 1vib n ALA 8 Cb 0.33 -0.10 -0.03 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 -2.48 3.30 0.00 0.00 1.13 -1.24 -5.09 117.35 112.96 1vib s TYR 9 Ca -0.24 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1vib s TYR 9 Cb 0.07 -1.51 0.00 0.00 -1.10 0.00 0.00 41.96 39.42 1vib s TYR 9 CO 0.65 0.49 0.00 0.00 -2.51 0.00 0.00 175.55 174.18 1vib n ALA 11 N -1.11 0.00 -0.58 9.51 0.00 -1.26 -4.34 120.51 122.73 1vib n ALA 11 Ca -0.08 0.00 0.46 0.00 0.00 0.00 0.00 53.44 53.82 1vib n ALA 11 Cb 0.57 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.78 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 -4.20 0.66 0.07 0.00 0.00 -1.26 -4.39 120.64 111.52 1vib n GLU 13 Ca 0.40 -0.17 0.07 0.00 0.00 0.00 0.00 57.16 57.45 1vib n GLU 13 Cb 1.75 -1.51 -0.04 0.00 0.00 0.00 0.00 31.44 31.65 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 -2.29 0.85 -0.12 4.31 5.03 0.11 -3.27 115.26 119.88 1vib n ASN 14 Ca -0.07 0.35 -0.05 0.00 0.87 0.00 0.00 54.58 55.68 1vib n ASN 14 Cb 0.62 0.33 0.03 0.00 -1.02 0.00 0.00 39.78 39.74 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 0.01 1.45 6.41 7.08 -0.82 0.15 115.58 129.86 1vib h ASN 15 Ca -0.07 0.07 -0.08 0.00 -3.08 0.00 0.00 56.30 53.14 1vib h ASN 15 Cb 1.25 0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 37.57 1vib h ASN 15 CO 0.02 0.04 -0.40 0.00 -2.08 0.00 0.00 177.43 175.01 1vib h ARG 17 N 0.00 0.79 0.14 0.00 2.43 -1.08 0.16 114.38 116.82 1vib h ARG 17 Ca -0.00 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1vib h ARG 17 Cb 1.23 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1vib h ARG 17 CO 0.05 0.66 -0.07 0.87 -1.51 0.00 0.00 179.97 179.97 1vib h LYS 18 N 0.74 -0.18 -0.96 0.20 1.57 -0.73 -3.30 116.57 113.91 1vib h LYS 18 Ca 0.19 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.16 1vib h LYS 18 Cb 0.13 0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.30 1vib h LYS 18 CO -0.02 -0.07 -0.27 1.17 -0.57 0.00 0.00 179.45 179.69 1vib n LYS 19 N -4.89 -0.12 -0.29 3.15 3.00 0.90 0.95 118.16 120.86 1vib n LYS 19 Ca -0.03 1.50 0.08 0.00 -0.00 0.00 0.00 58.31 59.87 1vib n LYS 19 Cb 0.10 -2.24 0.20 0.00 0.00 0.00 0.00 35.03 33.09 1vib n LYS 19 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1vib h TYR 20 N 0.00 -0.05 0.00 5.64 3.20 -0.77 1.57 116.97 126.56 1vib h TYR 20 Ca 0.43 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 1vib h TYR 20 Cb 0.67 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1vib h TYR 20 CO -0.77 -0.30 -0.03 -0.44 -1.64 0.00 0.00 178.16 174.98 1vib h ASP 21 N 0.08 0.00 -0.31 -2.11 3.32 0.50 -2.99 116.42 114.91 1vib h ASP 21 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1vib h ASP 21 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1vib h ASP 21 CO -0.76 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 176.97 1vib n LEU 22 N -3.11 3.95 -0.00 1.55 4.77 0.32 -4.34 117.00 120.14 1vib n LEU 22 Ca 0.03 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 1vib n LEU 22 Cb 0.47 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1vib n LEU 22 CO 0.32 0.68 -0.52 0.00 -1.33 0.00 0.00 177.39 176.54 1vib n ILE 24 N -1.75 2.46 -2.56 0.00 5.41 -1.14 -4.65 119.36 117.13 1vib n ILE 24 Ca -0.01 -2.00 -0.41 0.00 1.00 0.00 0.00 62.75 61.33 1vib n ILE 24 Cb 0.25 -2.39 0.01 0.00 -0.71 0.00 0.00 39.64 36.80 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 6.25 4.91 0.00 0.38 3.00 -1.26 -4.66 116.66 125.28 1vib n ARG 25 Ca 0.51 -4.30 0.01 0.00 -0.01 0.00 0.00 57.85 54.06 1vib n ARG 25 Cb 0.36 -2.55 0.03 0.00 0.00 0.00 0.00 32.46 30.30 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 -2.24 2.29 1.53 0.00 0.00 -1.26 -3.94 119.66 116.04 1vib s GLN 27 Ca 0.01 -0.95 0.00 0.00 -0.00 0.00 0.00 55.36 54.42 1vib s GLN 27 Cb 0.01 -2.39 0.00 0.00 0.00 0.00 0.00 33.01 30.63 1vib s GLN 27 CO 0.02 0.52 0.00 0.41 0.00 0.00 0.00 175.29 176.24 1vib n GLY 28 N 0.68 0.26 0.36 2.60 0.00 -1.26 -3.06 105.19 104.76 1vib n GLY 28 Ca -0.13 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.06 -0.87 1.61 3.64 -1.91 0.20 116.57 119.19 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 0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 31.51 1vib h LYS 29 CO 0.00 -0.04 0.23 0.91 -2.27 0.00 0.00 179.45 178.28 1vib n TRP 30 N -5.47 2.90 -1.41 1.91 7.02 0.23 -4.90 117.44 117.72 1vib n TRP 30 Ca 0.08 -2.59 -0.18 0.00 -1.02 0.00 0.00 57.50 53.79 1vib n TRP 30 Cb 0.39 -0.99 -0.12 0.00 -2.42 0.00 0.00 31.31 28.17 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 -0.88 0.28 0.00 6.99 0.00 0.71 0.30 120.51 127.91 1vib n ALA 31 Ca 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1vib n ALA 31 Cb 0.85 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 5.94 2.08 0.12 0.00 0.00 -1.26 -4.89 105.19 107.17 1vib n GLY 32 Ca 0.41 0.00 0.15 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 -0.33 1.10 -0.19 1.61 4.01 0.15 -4.22 118.16 120.29 1vib n LYS 33 Ca 0.00 -0.25 -0.01 0.00 -0.51 0.00 0.00 58.31 57.54 1vib n LYS 33 Cb 0.00 -1.49 0.01 0.00 -0.51 0.00 0.00 35.03 33.04 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 -0.73 -0.13 -0.18 1.97 3.00 -0.92 -0.08 116.66 119.60 1vib n ARG 34 Ca 0.22 0.74 0.17 0.00 -0.00 0.00 0.00 57.85 58.97 1vib n ARG 34 Cb 0.19 -1.09 0.30 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 -1.21 -0.38 0.00 5.14 0.00 -1.26 0.75 105.19 108.23 1vib n GLY 35 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.96 5.76 -0.32 1.61 3.00 0.89 -4.57 118.16 120.57 1vib n LYS 36 Ca 0.19 -0.03 0.22 0.00 -0.00 0.00 0.00 58.31 58.69 1vib n LYS 36 Cb 0.66 -0.48 0.50 0.00 0.00 0.00 0.00 35.03 35.72 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 -2.47 0.00 -0.25 0.00 0.00 -1.15 -2.99 120.51 113.66 1vib n ALA 38 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 1vib n ALA 38 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.27 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 -1.61 -0.31 -0.22 0.00 0.00 -1.16 0.13 120.51 117.34 1vib n ALA 39 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 53.95 1vib n ALA 39 Cb 0.00 -0.13 0.05 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 -0.58 -0.14 0.00 2.76 -1.05 0.26 115.15 116.40 1vib h HIS 40 Ca 0.12 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1vib h HIS 40 Cb 0.27 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1vib h HIS 40 CO -0.60 -0.33 -0.25 0.00 -1.30 0.00 0.00 177.93 175.45 1vib h ILE 42 N 0.02 1.00 -1.32 0.00 2.10 -0.19 0.02 117.51 119.15 1vib h ILE 42 Ca 0.01 -0.21 0.38 0.00 1.08 0.00 0.00 64.86 66.12 1vib h ILE 42 Cb 0.83 0.34 -0.05 0.00 -1.09 0.00 0.00 36.82 36.85 1vib h ILE 42 CO 0.06 0.11 1.09 0.40 -1.08 0.00 0.00 178.15 178.72 1vib h ILE 43 N 0.60 0.17 -0.09 2.19 2.04 -0.51 0.28 117.51 122.19 1vib h ILE 43 Ca 0.24 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.93 1vib h ILE 43 Cb 0.10 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1vib h ILE 43 CO -0.14 0.00 -0.59 1.56 0.00 0.00 0.00 178.15 178.99 1vib h GLN 44 N 0.00 0.56 0.00 2.37 7.50 -1.03 0.33 115.11 124.84 1vib h GLN 44 Ca 0.63 -0.48 -0.01 0.00 0.50 0.00 0.00 58.65 59.29 1vib h GLN 44 Cb 2.79 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 30.43 1vib h GLN 44 CO -0.01 1.11 -0.05 1.57 -1.50 0.00 0.00 178.83 179.95 1vib h LYS 45 N 0.17 0.00 0.00 1.46 2.10 -0.51 -0.91 116.57 118.88 1vib h LYS 45 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1vib h LYS 45 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1vib h LYS 45 CO 0.12 0.05 -0.39 0.27 -2.00 0.00 0.00 179.45 177.50 1vib n ASN 46 N -3.63 1.24 -0.23 7.07 0.23 -1.15 -4.25 115.26 114.54 1vib n ASN 46 Ca -0.02 0.47 0.04 0.00 -0.53 0.00 0.00 54.58 54.54 1vib n ASN 46 Cb 0.15 -0.74 0.09 0.00 -2.08 0.00 0.00 39.78 37.20 1vib n ASN 46 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1vib n ASN 47 N -3.85 -0.24 -0.26 0.53 5.15 0.12 0.51 115.26 117.21 1vib n ASN 47 Ca -0.05 1.12 0.04 0.00 -0.60 0.00 0.00 54.58 55.08 1vib n ASN 47 Cb 0.20 -0.34 0.13 0.00 -0.53 0.00 0.00 39.78 39.24 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 -5.44 0.04 -0.21 0.00 5.02 0.18 -0.10 118.16 117.65 1vib n LYS 49 Ca 0.12 0.47 0.06 0.00 -2.02 0.00 0.00 58.31 56.94 1vib n LYS 49 Cb 0.44 -1.73 0.16 0.00 -0.02 0.00 0.00 35.03 33.87 1vib n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vib n GLY 50 N -1.37 3.24 0.09 0.72 0.00 0.11 -4.01 105.19 103.97 1vib n GLY 50 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1vib n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vib n LYS 51 N 0.00 0.06 -0.00 1.61 4.81 0.85 -4.81 118.16 120.68 1vib n LYS 51 Ca 0.13 0.02 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 1vib n LYS 51 Cb 0.53 -0.57 -0.12 0.00 0.02 0.00 0.00 35.03 34.89 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib s LYS 53 N -2.93 3.62 -0.14 0.00 1.02 -1.26 -5.04 119.74 115.01 1vib s LYS 53 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.93 1vib s LYS 53 Cb 0.14 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1vib s LYS 53 CO 0.80 0.49 -0.08 -1.59 -0.92 0.00 0.00 175.35 174.05 1vib s LYS 54 N -2.57 3.54 0.00 1.68 0.00 -1.26 -4.57 119.74 116.56 1vib s LYS 54 Ca 0.40 -0.60 0.00 0.00 0.00 0.00 0.00 55.97 55.77 1vib s LYS 54 Cb -0.12 -2.79 0.00 0.00 0.00 0.00 0.00 37.83 34.92 1vib s LYS 54 CO 0.24 0.22 0.49 -1.91 0.00 0.00 0.00 175.35 174.39