#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 2.22 -4.41 0.00 2.88 -1.26 -5.11 113.62 107.95 1vib n SER 2 Ca 0.00 -1.49 -0.44 0.00 -1.33 0.00 0.00 58.87 55.62 1vib n SER 2 Cb 0.00 0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vib s ALA 3 N -2.20 3.51 -0.00 -1.46 0.00 -1.26 -4.85 121.76 115.51 1vib s ALA 3 Ca 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 49.99 1vib s ALA 3 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1vib s ALA 3 CO 0.00 -1.62 -0.03 -2.37 0.00 0.00 0.00 175.76 171.75 1vib n THR 4 N 5.17 0.27 0.00 0.00 5.66 -1.26 -5.16 114.28 118.96 1vib n THR 4 Ca -0.12 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1vib n THR 4 Cb 0.45 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1vib n TRP 5 N -2.77 0.00 0.00 1.09 7.02 -1.26 -5.04 117.44 116.47 1vib n TRP 5 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1vib n TRP 5 Cb 0.04 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 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 -0.25 2.26 0.08 6.99 0.00 -1.26 -4.61 105.19 108.39 1vib n GLY 6 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.34 0.00 -0.13 4.61 0.00 -1.26 0.40 120.51 125.47 1vib n ALA 7 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1vib n ALA 7 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.77 1.43 -2.66 0.00 0.00 -1.26 -5.05 120.51 112.20 1vib n ALA 8 Ca 0.00 -1.10 -0.40 0.00 0.00 0.00 0.00 53.44 51.94 1vib n ALA 8 Cb 0.40 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.51 3.21 0.00 0.00 -0.85 0.16 -5.05 117.35 112.31 1vib s TYR 9 Ca -0.35 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 1vib s TYR 9 Cb 0.09 -2.44 0.00 0.00 0.38 0.00 0.00 41.96 39.99 1vib s TYR 9 CO 0.59 -0.43 0.00 0.00 -1.52 0.00 0.00 175.55 174.18 1vib n ALA 11 N 5.06 0.00 -0.25 9.51 0.00 -1.26 -4.40 120.51 129.16 1vib n ALA 11 Ca -0.13 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.63 1vib n ALA 11 Cb 0.49 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.53 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 -3.52 6.23 0.05 0.00 0.00 -1.26 -4.60 120.64 117.53 1vib n GLU 13 Ca 0.24 -0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 1vib n GLU 13 Cb 1.43 -0.57 -0.13 0.00 0.00 0.00 0.00 31.44 32.16 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 0.11 -0.78 4.31 -0.26 -0.60 -3.17 115.58 115.18 1vib h ASN 14 Ca 0.00 -0.14 0.18 0.00 -0.56 0.00 0.00 56.30 55.79 1vib h ASN 14 Cb 0.02 -0.03 -0.13 0.00 -1.06 0.00 0.00 38.32 37.11 1vib h ASN 14 CO 0.00 1.11 0.07 -0.55 -1.06 0.00 0.00 177.43 177.00 1vib h ASN 15 N 0.02 -0.25 1.17 5.81 -1.07 -0.84 0.58 115.58 121.00 1vib h ASN 15 Ca -0.12 0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1vib h ASN 15 Cb 1.89 0.32 0.00 0.00 -2.07 0.00 0.00 38.32 38.45 1vib h ASN 15 CO 0.13 -0.16 -0.38 0.00 0.07 0.00 0.00 177.43 177.08 1vib h ARG 17 N 0.00 -0.13 -0.13 0.00 2.43 0.05 0.96 114.38 117.56 1vib h ARG 17 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1vib h ARG 17 Cb 0.78 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1vib h ARG 17 CO 0.00 0.37 -0.03 1.57 -1.51 0.00 0.00 179.97 180.37 1vib h LYS 18 N -0.83 0.25 -0.61 0.20 2.10 -0.95 -2.98 116.57 113.76 1vib h LYS 18 Ca -0.01 -0.09 0.11 0.00 -2.00 0.00 0.00 60.65 58.65 1vib h LYS 18 Cb 0.57 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 1vib h LYS 18 CO 0.02 0.54 0.17 -0.22 -2.00 0.00 0.00 179.45 177.96 1vib h LYS 19 N -0.06 0.30 -0.82 0.07 1.63 -1.28 0.18 116.57 116.59 1vib h LYS 19 Ca 0.03 -0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.00 1vib h LYS 19 Cb 0.45 -0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 31.89 1vib h LYS 19 CO 0.01 0.20 0.30 -0.92 -3.45 0.00 0.00 179.45 175.59 1vib h TYR 20 N 0.31 0.49 0.00 1.91 3.20 -0.65 0.37 116.97 122.61 1vib h TYR 20 Ca 0.32 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1vib h TYR 20 Cb 0.45 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1vib h TYR 20 CO -0.22 -0.04 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.82 1vib h ASP 21 N 0.36 -0.00 0.19 -2.11 5.19 -0.90 -3.11 116.42 116.04 1vib h ASP 21 Ca 0.49 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1vib h ASP 21 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1vib h ASP 21 CO -0.50 0.26 -0.09 -0.07 -3.12 0.00 0.00 179.24 175.71 1vib h LEU 22 N -0.27 -0.22 -1.45 1.55 3.38 -0.08 -3.08 115.31 115.14 1vib h LEU 22 Ca -0.00 -0.15 0.42 0.00 0.09 0.00 0.00 57.88 58.24 1vib h LEU 22 Cb 0.26 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1vib h LEU 22 CO 0.00 0.03 1.25 0.00 0.09 0.00 0.00 178.44 179.81 1vib n ILE 24 N -3.48 1.95 -1.66 0.00 5.41 -1.17 -4.71 119.36 115.69 1vib n ILE 24 Ca 0.33 -1.71 -0.40 0.00 1.00 0.00 0.00 62.75 61.96 1vib n ILE 24 Cb 1.69 -2.34 -0.02 0.00 -0.71 0.00 0.00 39.64 38.27 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 7.00 3.99 0.00 0.38 3.00 -1.25 -4.57 116.66 125.20 1vib n ARG 25 Ca 0.50 -2.79 0.02 0.00 -0.01 0.00 0.00 57.85 55.56 1vib n ARG 25 Cb 0.41 -2.78 0.09 0.00 0.00 0.00 0.00 32.46 30.18 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 -2.00 2.55 0.57 0.00 0.00 -1.26 -3.96 119.66 115.56 1vib s GLN 27 Ca 0.05 -1.17 0.00 0.00 -0.00 0.00 0.00 55.36 54.23 1vib s GLN 27 Cb 0.02 -2.37 0.00 0.00 0.00 0.00 0.00 33.01 30.66 1vib s GLN 27 CO 0.04 0.41 0.00 0.41 0.00 0.00 0.00 175.29 176.15 1vib n GLY 28 N -0.68 0.42 0.32 2.60 0.00 -1.26 -2.21 105.19 104.39 1vib n GLY 28 Ca -0.08 0.24 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 0.11 -0.86 1.61 3.64 -1.91 0.31 116.57 119.46 1vib h LYS 29 Ca 0.00 -0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1vib h LYS 29 Cb 0.00 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.40 1vib h LYS 29 CO 0.00 0.07 -0.35 0.91 -2.27 0.00 0.00 179.45 177.81 1vib n TRP 30 N -5.32 2.90 -1.48 1.91 7.02 -0.43 -4.95 117.44 117.10 1vib n TRP 30 Ca 0.25 -2.46 -0.24 0.00 -1.02 0.00 0.00 57.50 54.03 1vib n TRP 30 Cb 0.82 -0.64 -0.10 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.76 0.82 0.00 6.99 0.00 0.11 -0.44 120.51 127.23 1vib n ALA 31 Ca 0.49 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 51.39 1vib n ALA 31 Cb 0.87 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 5.78 1.24 1.11 0.00 0.00 -1.26 -4.94 105.19 107.12 1vib n GLY 32 Ca 0.43 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.83 3.18 -0.85 1.61 4.76 0.41 -5.02 118.16 121.42 1vib n LYS 33 Ca 0.00 -2.93 -0.33 0.00 -2.87 0.00 0.00 58.31 52.18 1vib n LYS 33 Cb 0.00 -1.93 0.13 0.00 -1.84 0.00 0.00 35.03 31.39 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 -0.37 -0.21 0.00 1.97 0.00 -1.23 -0.23 116.66 116.59 1vib n ARG 34 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1vib n ARG 34 Cb 0.98 -2.09 0.00 0.00 0.00 0.00 0.00 32.46 31.34 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 1.02 1.97 0.14 5.14 0.00 -1.26 -4.32 105.19 107.88 1vib n GLY 35 Ca 0.10 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1vib n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vib h LYS 36 N 0.00 0.34 -0.97 1.61 3.64 -1.83 -0.11 116.57 119.24 1vib h LYS 36 Ca 0.00 -0.58 0.28 0.00 -1.27 0.00 0.00 60.65 59.08 1vib h LYS 36 Cb 0.00 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 31.90 1vib h LYS 36 CO 0.00 1.28 0.50 0.00 -2.27 0.00 0.00 179.45 178.95 1vib h ALA 38 N 1.79 -0.46 -0.96 0.00 0.00 -1.82 -2.80 119.26 115.01 1vib h ALA 38 Ca 0.66 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.67 1vib h ALA 38 Cb 1.40 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1vib h ALA 38 CO -0.57 -0.46 -0.52 0.00 0.00 0.00 0.00 179.25 177.70 1vib h ALA 39 N -1.91 -0.31 -0.94 0.00 0.00 -0.04 0.20 119.26 116.26 1vib h ALA 39 Ca -0.01 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1vib h ALA 39 Cb 0.05 1.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1vib h ALA 39 CO 0.01 -0.85 -0.57 1.25 0.00 0.00 0.00 179.25 179.09 1vib h HIS 40 N -0.02 -1.84 -0.05 0.00 2.76 -0.21 0.23 115.15 116.02 1vib h HIS 40 Ca 0.22 0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.43 1vib h HIS 40 Cb 0.49 0.93 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 1vib h HIS 40 CO -0.95 -0.37 -0.37 0.00 -1.30 0.00 0.00 177.93 174.94 1vib h ILE 42 N 0.09 1.24 -0.04 0.00 2.10 0.24 0.01 117.51 121.16 1vib h ILE 42 Ca 0.01 -1.08 0.01 0.00 1.08 0.00 0.00 64.86 64.88 1vib h ILE 42 Cb 0.70 1.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1vib h ILE 42 CO 0.05 0.35 0.11 0.40 -1.08 0.00 0.00 178.15 177.98 1vib h ILE 43 N 0.42 0.16 0.09 2.19 2.04 -0.62 -2.28 117.51 119.50 1vib h ILE 43 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1vib h ILE 43 Cb 0.54 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1vib h ILE 43 CO 0.03 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 179.70 1vib h GLN 44 N 0.00 -0.11 -0.03 2.37 7.50 -1.05 -0.51 115.11 123.28 1vib h GLN 44 Ca 0.02 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.18 1vib h GLN 44 Cb 0.24 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 1vib h GLN 44 CO -0.00 0.26 0.25 1.57 -1.50 0.00 0.00 178.83 179.41 1vib h LYS 45 N -0.98 0.00 0.00 1.46 2.10 -1.37 -1.44 116.57 116.33 1vib h LYS 45 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1vib h LYS 45 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1vib h LYS 45 CO 0.02 0.00 -0.43 -1.71 -2.00 0.00 0.00 179.45 175.33 1vib n ASN 46 N -3.01 1.46 -0.32 7.07 2.85 -0.91 -4.15 115.26 118.24 1vib n ASN 46 Ca -0.02 0.55 0.29 0.00 -0.11 0.00 0.00 54.58 55.29 1vib n ASN 46 Cb 0.31 -0.79 0.54 0.00 1.24 0.00 0.00 39.78 41.08 1vib n ASN 46 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1vib h ASN 47 N -0.81 0.20 -0.86 1.20 2.35 -0.70 0.66 115.58 117.63 1vib h ASN 47 Ca 0.00 0.26 0.13 0.00 -0.55 0.00 0.00 56.30 56.15 1vib h ASN 47 Cb 0.43 0.30 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 1vib h ASN 47 CO 0.00 -0.42 0.46 0.00 -1.65 0.00 0.00 177.43 175.82 1vib n LYS 49 N -4.82 0.05 -0.67 0.00 5.02 0.23 0.49 118.16 118.47 1vib n LYS 49 Ca 0.16 0.51 0.01 0.00 -2.02 0.00 0.00 58.31 56.97 1vib n LYS 49 Cb 0.39 -1.75 0.23 0.00 -0.02 0.00 0.00 35.03 33.89 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 4.40 0.21 0.72 0.00 0.89 -4.11 105.19 105.94 1vib n GLY 50 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.78 0.00 -0.00 1.61 4.81 0.18 -4.89 118.16 119.08 1vib n LYS 51 Ca 0.29 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1vib n LYS 51 Cb 1.02 -0.09 -0.13 0.00 0.02 0.00 0.00 35.03 35.85 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 -3.14 3.92 0.00 0.00 1.02 -1.26 -4.80 119.74 115.49 1vib s LYS 53 Ca -0.00 0.41 0.20 0.00 0.02 0.00 0.00 55.97 56.60 1vib s LYS 53 Cb 0.14 -3.09 0.26 0.00 -0.52 0.00 0.00 37.83 34.63 1vib s LYS 53 CO 0.83 0.59 1.23 1.63 -0.92 0.00 0.00 175.35 178.71 1vib n LYS 54 N 1.29 2.07 0.00 1.68 5.02 -1.26 -4.45 118.16 122.50 1vib n LYS 54 Ca -0.10 -1.92 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1vib n LYS 54 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1vib n LYS 54 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03