#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 0.00 -2.97 0.00 2.88 -1.26 -4.92 113.62 107.35 1vib n SER 2 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1vib n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vib n ALA 3 N -3.00 6.63 -3.82 -1.46 0.00 -1.26 -4.73 120.51 112.87 1vib n ALA 3 Ca 0.00 -3.54 -0.32 0.00 0.00 0.00 0.00 53.44 49.58 1vib n ALA 3 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 1vib n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vib s THR 4 N -1.68 3.33 0.00 0.00 -4.23 -1.26 -4.86 115.64 106.94 1vib s THR 4 Ca 0.57 -3.74 0.00 0.00 -1.18 0.00 0.00 61.69 57.33 1vib s THR 4 Cb 0.29 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1vib s THR 4 CO -0.16 -0.96 0.50 0.79 -0.54 0.00 0.00 174.62 174.26 1vib n TRP 5 N 2.57 0.00 -0.20 3.99 7.02 -1.26 -4.77 117.44 124.79 1vib n TRP 5 Ca 0.15 -0.10 0.06 0.00 -1.02 0.00 0.00 57.50 56.59 1vib n TRP 5 Cb 0.35 -0.01 0.17 0.00 -2.42 0.00 0.00 31.31 29.40 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 -0.10 2.76 0.10 6.99 0.00 -1.26 -4.47 105.19 109.21 1vib n GLY 6 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 0.58 3.43 -0.02 4.61 0.00 -1.26 -4.02 120.51 123.83 1vib n ALA 7 Ca 0.13 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.25 1vib n ALA 7 Cb 0.44 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.17 2.55 -3.36 0.00 0.00 -1.26 -5.03 120.51 112.25 1vib n ALA 8 Ca 0.08 -0.63 -0.46 0.00 0.00 0.00 0.00 53.44 52.42 1vib n ALA 8 Cb 0.34 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 3.72 0.00 0.00 -0.85 -1.26 -5.00 117.35 110.68 1vib s TYR 9 Ca -0.08 -2.01 0.00 0.00 -0.52 0.00 0.00 57.07 54.46 1vib s TYR 9 Cb 0.12 -3.78 0.00 0.00 0.38 0.00 0.00 41.96 38.68 1vib s TYR 9 CO 0.86 -0.98 0.00 0.00 -1.52 0.00 0.00 175.55 173.90 1vib n ALA 11 N 3.99 0.00 0.13 9.51 0.00 -1.26 -4.48 120.51 128.40 1vib n ALA 11 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1vib n ALA 11 Cb 0.46 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.97 0.04 -0.33 0.00 0.00 -1.26 -4.63 120.64 112.48 1vib n GLU 13 Ca -0.01 0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.30 1vib n GLU 13 Cb 0.21 -0.85 0.35 0.00 0.00 0.00 0.00 31.44 31.15 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 -0.02 0.73 -0.77 4.31 -0.26 -1.81 0.46 115.58 118.21 1vib h ASN 14 Ca -0.04 0.08 0.12 0.00 -0.56 0.00 0.00 56.30 55.90 1vib h ASN 14 Cb 1.05 -0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 38.17 1vib h ASN 14 CO -0.01 0.28 0.37 -0.55 -1.06 0.00 0.00 177.43 176.46 1vib h ASN 15 N 0.72 0.45 1.29 5.81 -1.07 -1.00 0.30 115.58 122.09 1vib h ASN 15 Ca 0.55 0.08 0.00 0.00 0.07 0.00 0.00 56.30 57.00 1vib h ASN 15 Cb 0.91 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.17 1vib h ASN 15 CO -0.33 0.22 -0.55 0.00 0.07 0.00 0.00 177.43 176.84 1vib h ARG 17 N 0.00 -0.04 0.56 0.00 2.43 0.12 0.12 114.38 117.57 1vib h ARG 17 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1vib h ARG 17 Cb 0.92 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1vib h ARG 17 CO 0.00 0.63 -0.31 0.87 -1.51 0.00 0.00 179.97 179.65 1vib h LYS 18 N -0.82 -0.78 -0.47 0.20 6.56 -0.60 -0.09 116.57 120.57 1vib h LYS 18 Ca -0.00 0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.68 1vib h LYS 18 Cb 0.69 0.18 -0.06 0.00 -0.57 0.00 0.00 32.23 32.48 1vib h LYS 18 CO 0.01 -0.52 -0.28 1.17 -2.06 0.00 0.00 179.45 177.77 1vib n LYS 19 N -5.45 -0.21 -0.18 3.15 0.00 -0.69 -0.19 118.16 114.59 1vib n LYS 19 Ca -0.12 1.22 -0.05 0.00 0.00 0.00 0.00 58.31 59.36 1vib n LYS 19 Cb 0.35 -1.81 0.01 0.00 0.00 0.00 0.00 35.03 33.58 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 -0.77 -0.10 5.64 5.03 -0.46 1.13 116.97 127.45 1vib h TYR 20 Ca 0.07 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.48 1vib h TYR 20 Cb 0.19 0.42 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 1vib h TYR 20 CO -0.97 -0.35 0.08 -0.44 -1.32 0.00 0.00 178.16 175.16 1vib h ASP 21 N -0.15 0.00 0.00 -2.11 3.32 0.79 0.67 116.42 118.94 1vib h ASP 21 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1vib h ASP 21 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1vib h ASP 21 CO -0.63 0.00 -1.17 0.18 -1.72 0.00 0.00 179.24 175.91 1vib n LEU 22 N -4.21 0.72 0.01 1.55 4.77 0.74 -4.33 117.00 116.24 1vib n LEU 22 Ca -0.01 -0.38 0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1vib n LEU 22 Cb 0.19 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1vib n LEU 22 CO 0.32 0.18 -0.54 0.00 -1.33 0.00 0.00 177.39 176.01 1vib n ILE 24 N -2.54 2.40 -2.10 0.00 -0.00 0.13 -4.72 119.36 112.54 1vib n ILE 24 Ca -0.08 -2.12 -0.41 0.00 -0.00 0.00 0.00 62.75 60.13 1vib n ILE 24 Cb 0.70 -2.41 -0.00 0.00 -0.00 0.00 0.00 39.64 37.92 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 6.78 3.92 0.00 0.38 5.12 -1.26 -4.70 116.66 126.90 1vib n ARG 25 Ca 0.50 -3.34 0.00 0.00 -1.93 0.00 0.00 57.85 53.08 1vib n ARG 25 Cb 0.40 -2.84 0.00 0.00 -1.16 0.00 0.00 32.46 28.86 1vib n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vib n GLN 27 N 0.19 1.24 0.00 0.00 0.00 -1.26 -4.50 117.38 113.05 1vib n GLN 27 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 57.00 54.92 1vib n GLN 27 Cb 0.12 0.49 0.00 0.00 0.00 0.00 0.00 30.24 30.85 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 1.47 0.00 0.34 2.61 0.00 -1.26 0.10 105.19 108.46 1vib n GLY 28 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 -0.82 1.61 3.64 -1.94 0.28 116.57 119.32 1vib h LYS 29 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 1vib h LYS 29 Cb 0.00 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.51 1vib h LYS 29 CO 0.00 -0.01 0.11 0.91 -2.27 0.00 0.00 179.45 178.18 1vib n TRP 30 N -5.53 2.76 -1.09 1.91 7.02 0.28 -4.91 117.44 117.87 1vib n TRP 30 Ca 0.12 -2.48 -0.21 0.00 -1.02 0.00 0.00 57.50 53.90 1vib n TRP 30 Cb 0.43 -0.89 -0.09 0.00 -2.42 0.00 0.00 31.31 28.34 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 0.42 0.00 6.99 0.00 1.00 0.10 120.51 128.14 1vib n ALA 31 Ca 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1vib n ALA 31 Cb 0.88 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 5.30 0.61 0.31 0.00 0.00 -1.26 -4.87 105.19 105.28 1vib n GLY 32 Ca 0.34 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.27 1.20 -0.17 1.61 4.76 0.11 -4.33 118.16 120.09 1vib n LYS 33 Ca 0.00 -0.63 0.09 0.00 -2.87 0.00 0.00 58.31 54.89 1vib n LYS 33 Cb 0.00 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 31.87 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 -0.35 -0.04 -0.11 1.97 3.00 -0.95 -0.74 116.66 119.44 1vib n ARG 34 Ca 0.16 0.71 0.07 0.00 -0.00 0.00 0.00 57.85 58.80 1vib n ARG 34 Cb 0.32 -1.16 0.14 0.00 0.00 0.00 0.00 32.46 31.77 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 -1.22 -0.37 0.00 5.14 0.00 -1.26 -0.35 105.19 107.12 1vib n GLY 35 Ca 0.13 0.31 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 -4.06 0.27 -0.26 1.61 4.81 0.08 -4.64 118.16 115.97 1vib n LYS 36 Ca 0.10 -0.57 0.05 0.00 -0.87 0.00 0.00 58.31 57.02 1vib n LYS 36 Cb 0.33 -0.78 0.16 0.00 0.02 0.00 0.00 35.03 34.76 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib n ALA 38 N -2.96 -0.08 -0.17 0.00 0.00 -1.25 -3.29 120.51 112.76 1vib n ALA 38 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1vib n ALA 38 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.46 -0.26 -0.38 0.00 0.00 -1.15 0.87 120.51 118.13 1vib n ALA 39 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.76 1vib n ALA 39 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.20 -0.04 0.80 0.00 -0.00 0.14 -0.66 115.22 111.26 1vib n HIS 40 Ca 0.01 1.20 0.12 0.00 0.46 0.00 0.00 57.72 59.51 1vib n HIS 40 Cb 0.11 -0.82 0.18 0.00 -0.12 0.00 0.00 29.99 29.33 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 1.67 0.00 0.00 2.10 0.16 -2.44 117.51 119.00 1vib h ILE 42 Ca 0.00 -3.29 -0.00 0.00 1.08 0.00 0.00 64.86 62.65 1vib h ILE 42 Cb 0.61 2.82 -0.00 0.00 -1.09 0.00 0.00 36.82 39.16 1vib h ILE 42 CO 0.00 0.94 -0.02 0.40 -1.08 0.00 0.00 178.15 178.40 1vib h ILE 43 N 0.02 0.06 0.06 2.19 2.04 -0.98 -2.30 117.51 118.60 1vib h ILE 43 Ca -0.03 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1vib h ILE 43 Cb 1.76 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1vib h ILE 43 CO 0.14 0.02 -0.03 1.56 0.00 0.00 0.00 178.15 179.84 1vib h GLN 44 N 0.00 -0.07 -0.33 2.37 7.50 -1.57 0.22 115.11 123.23 1vib h GLN 44 Ca -0.00 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.25 1vib h GLN 44 Cb 0.32 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 1vib h GLN 44 CO 0.00 -0.05 0.64 1.57 -1.50 0.00 0.00 178.83 179.49 1vib h LYS 45 N -0.58 0.00 0.00 1.46 5.09 -1.40 0.35 116.57 121.49 1vib h LYS 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1vib h LYS 45 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 1vib h LYS 45 CO 0.01 0.00 -0.10 0.09 -2.09 0.00 0.00 179.45 177.36 1vib n ASN 46 N -3.17 0.37 -0.24 7.07 3.02 -0.87 -4.17 115.26 117.26 1vib n ASN 46 Ca 0.06 0.32 0.12 0.00 -0.03 0.00 0.00 54.58 55.05 1vib n ASN 46 Cb 0.77 -0.57 0.23 0.00 -0.61 0.00 0.00 39.78 39.59 1vib n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vib n ASN 47 N -2.74 -0.05 -0.25 6.41 4.13 0.76 0.50 115.26 124.03 1vib n ASN 47 Ca -0.01 1.21 0.01 0.00 1.68 0.00 0.00 54.58 57.46 1vib n ASN 47 Cb 0.05 -0.45 0.08 0.00 -1.54 0.00 0.00 39.78 37.93 1vib n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vib n LYS 49 N -5.48 0.05 -0.28 0.00 5.02 0.18 -0.77 118.16 116.88 1vib n LYS 49 Ca 0.10 0.27 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 1vib n LYS 49 Cb 0.37 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.92 3.06 0.58 0.72 0.00 0.13 -3.53 105.19 105.22 1vib n GLY 50 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 0.37 0.22 -0.10 1.61 2.85 0.05 -4.85 118.16 118.31 1vib n LYS 51 Ca 0.15 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.39 1vib n LYS 51 Cb 0.58 -0.92 -0.13 0.00 -0.65 0.00 0.00 35.03 33.91 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 -2.45 3.55 0.00 0.00 1.02 -1.23 -5.00 119.74 115.62 1vib s LYS 53 Ca -0.17 -0.18 0.19 0.00 0.02 0.00 0.00 55.97 55.82 1vib s LYS 53 Cb 0.06 -2.67 0.26 0.00 -0.52 0.00 0.00 37.83 34.96 1vib s LYS 53 CO 0.67 0.19 1.19 1.63 -0.92 0.00 0.00 175.35 178.11 1vib n LYS 54 N -1.35 1.95 0.00 1.68 4.01 -1.26 -4.50 118.16 118.69 1vib n LYS 54 Ca -0.03 -1.86 0.00 0.00 -0.51 0.00 0.00 58.31 55.91 1vib n LYS 54 Cb 0.55 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 1vib n LYS 54 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38