#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 3.24 -0.01 0.00 0.15 -1.26 -5.03 113.70 110.78 1vib s SER 2 Ca 0.00 -0.87 0.20 0.00 0.70 0.00 0.00 55.95 55.98 1vib s SER 2 Cb 0.00 -0.23 -0.25 0.00 -1.71 0.00 0.00 66.02 63.83 1vib s SER 2 CO 0.00 0.08 0.69 0.00 1.20 0.00 0.00 173.24 175.21 1vib n ALA 3 N 0.27 3.87 0.12 5.45 0.00 -1.26 -4.61 120.51 124.35 1vib n ALA 3 Ca -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1vib n ALA 3 Cb 0.56 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1vib n ALA 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vib n THR 4 N -1.75 0.95 0.26 0.00 -2.24 -1.26 -4.25 114.28 106.00 1vib n THR 4 Ca 0.01 -0.17 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1vib n THR 4 Cb 0.39 -1.08 0.71 0.00 -2.10 0.00 0.00 70.33 68.25 1vib n THR 4 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1vib h TRP 5 N 1.51 0.00 0.00 4.78 4.06 -2.04 0.70 115.95 124.97 1vib h TRP 5 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1vib h TRP 5 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1vib h TRP 5 CO 0.18 0.06 0.00 0.41 -3.56 0.00 0.00 178.44 175.53 1vib n GLY 6 N -1.23 -0.70 0.56 1.49 0.00 -1.26 -0.55 105.19 103.50 1vib n GLY 6 Ca -0.03 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.56 2.53 -0.13 4.61 0.00 0.24 -4.05 120.51 122.14 1vib n ALA 7 Ca 0.01 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 1vib n ALA 7 Cb 0.05 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 0.33 1.33 -3.23 0.00 0.00 0.29 -5.07 120.51 114.17 1vib n ALA 8 Ca 0.17 -1.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.12 1vib n ALA 8 Cb 0.34 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 3.28 0.00 0.00 1.13 -1.23 -5.06 117.35 113.00 1vib s TYR 9 Ca -0.36 -1.31 0.00 0.00 -1.41 0.00 0.00 57.07 53.99 1vib s TYR 9 Cb 0.14 -3.51 0.00 0.00 -1.10 0.00 0.00 41.96 37.48 1vib s TYR 9 CO 0.47 -0.94 0.00 0.00 -2.51 0.00 0.00 175.55 172.57 1vib n ALA 11 N 5.15 0.00 0.16 9.51 0.00 -1.26 -4.40 120.51 129.67 1vib n ALA 11 Ca -0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.49 1vib n ALA 11 Cb 0.41 0.00 0.67 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 -3.26 0.40 -0.34 0.00 0.00 -1.26 -4.52 120.64 111.66 1vib n GLU 13 Ca 0.05 0.12 0.19 0.00 0.00 0.00 0.00 57.16 57.52 1vib n GLU 13 Cb 0.68 -1.25 0.42 0.00 0.00 0.00 0.00 31.44 31.28 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 -0.24 0.61 -0.85 4.31 -0.26 -1.61 0.22 115.58 117.76 1vib h ASN 14 Ca -0.40 0.11 0.17 0.00 -0.56 0.00 0.00 56.30 55.62 1vib h ASN 14 Cb 1.51 0.01 -0.10 0.00 -1.06 0.00 0.00 38.32 38.67 1vib h ASN 14 CO -0.14 0.13 0.41 -0.55 -1.06 0.00 0.00 177.43 176.22 1vib h ASN 15 N 0.55 0.44 1.07 5.81 -1.07 -1.10 0.36 115.58 121.64 1vib h ASN 15 Ca 0.61 0.11 -0.14 0.00 0.07 0.00 0.00 56.30 56.96 1vib h ASN 15 Cb 1.26 0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 37.54 1vib h ASN 15 CO -0.39 0.15 -0.99 0.00 0.07 0.00 0.00 177.43 176.26 1vib h ARG 17 N 0.00 1.09 0.28 0.00 2.43 0.14 0.20 114.38 118.52 1vib h ARG 17 Ca -0.08 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1vib h ARG 17 Cb 1.49 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1vib h ARG 17 CO 0.06 0.89 -0.14 0.87 -1.51 0.00 0.00 179.97 180.14 1vib h LYS 18 N 1.07 -0.37 -0.89 0.20 1.79 -0.43 -3.17 116.57 114.76 1vib h LYS 18 Ca 0.25 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.87 1vib h LYS 18 Cb 0.21 0.08 -0.14 0.00 -1.58 0.00 0.00 32.23 30.81 1vib h LYS 18 CO -0.02 -0.21 -0.37 1.17 -1.08 0.00 0.00 179.45 178.93 1vib n LYS 19 N -5.03 -0.24 -0.33 3.15 0.00 0.12 0.11 118.16 115.95 1vib n LYS 19 Ca -0.05 1.37 0.14 0.00 0.00 0.00 0.00 58.31 59.77 1vib n LYS 19 Cb 0.17 -2.03 0.34 0.00 0.00 0.00 0.00 35.03 33.50 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 0.92 0.00 5.64 3.20 -0.70 1.53 116.97 127.56 1vib h TYR 20 Ca 0.29 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1vib h TYR 20 Cb 0.51 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1vib h TYR 20 CO -0.80 0.09 -0.38 -0.44 -1.64 0.00 0.00 178.16 174.99 1vib h ASP 21 N 0.59 0.00 -0.36 -2.11 3.32 0.84 -3.03 116.42 115.68 1vib h ASP 21 Ca 0.59 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1vib h ASP 21 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1vib h ASP 21 CO -0.45 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.28 1vib n LEU 22 N -2.51 3.76 -0.00 1.55 4.77 0.23 -4.31 117.00 120.49 1vib n LEU 22 Ca 0.03 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 1vib n LEU 22 Cb 0.48 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1vib n LEU 22 CO 0.35 0.71 -0.51 0.00 -1.33 0.00 0.00 177.39 176.61 1vib n ILE 24 N -1.72 1.31 -2.56 0.00 5.41 -1.15 -4.63 119.36 116.03 1vib n ILE 24 Ca -0.00 -1.35 -0.41 0.00 1.00 0.00 0.00 62.75 61.99 1vib n ILE 24 Cb 0.22 -2.12 0.02 0.00 -0.71 0.00 0.00 39.64 37.04 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 8.16 5.07 0.00 0.38 3.00 -1.26 -4.64 116.66 127.37 1vib n ARG 25 Ca 0.44 -4.53 0.05 0.00 -0.01 0.00 0.00 57.85 53.80 1vib n ARG 25 Cb 0.46 -2.44 0.30 0.00 0.00 0.00 0.00 32.46 30.78 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 1.60 0.00 0.00 -1.26 -3.80 119.66 116.75 1vib s GLN 27 Ca 0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 55.36 54.82 1vib s GLN 27 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 33.01 30.60 1vib s GLN 27 CO 0.12 0.62 0.00 0.41 0.00 0.00 0.00 175.29 176.43 1vib n GLY 28 N 1.85 0.50 0.36 2.60 0.00 -1.26 -3.55 105.19 105.69 1vib n GLY 28 Ca -0.16 0.62 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.83 1.61 3.64 -1.90 0.11 116.57 119.10 1vib h LYS 29 Ca 0.00 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 1vib h LYS 29 Cb 0.00 0.03 -0.32 0.00 -0.41 0.00 0.00 32.23 31.53 1vib h LYS 29 CO 0.00 -0.07 0.15 0.91 -2.27 0.00 0.00 179.45 178.16 1vib n TRP 30 N -5.44 2.77 -1.58 1.91 7.02 0.01 -4.92 117.44 117.21 1vib n TRP 30 Ca 0.06 -2.49 -0.18 0.00 -1.02 0.00 0.00 57.50 53.87 1vib n TRP 30 Cb 0.37 -0.91 -0.11 0.00 -2.42 0.00 0.00 31.31 28.24 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 -0.89 0.48 0.00 6.99 0.00 0.39 -0.09 120.51 127.39 1vib n ALA 31 Ca 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.58 1vib n ALA 31 Cb 0.89 -3.39 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 6.01 0.91 0.83 0.00 0.00 -1.26 -4.90 105.19 106.77 1vib n GLY 32 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.65 2.13 -0.18 1.61 4.01 0.87 -4.52 118.16 121.43 1vib n LYS 33 Ca 0.00 -1.66 0.01 0.00 -0.51 0.00 0.00 58.31 56.14 1vib n LYS 33 Cb 0.00 -1.47 0.04 0.00 -0.51 0.00 0.00 35.03 33.09 1vib n LYS 33 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vib n ARG 34 N 1.02 -0.09 -0.11 1.97 5.12 -0.92 -0.25 116.66 123.40 1vib n ARG 34 Ca 0.15 0.75 0.04 0.00 -1.93 0.00 0.00 57.85 56.87 1vib n ARG 34 Cb 0.54 -1.12 0.09 0.00 -1.16 0.00 0.00 32.46 30.80 1vib n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vib n GLY 35 N -1.26 -0.45 0.00 -0.13 0.00 -1.26 -0.21 105.19 101.88 1vib n GLY 35 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.29 2.59 -0.23 1.61 4.81 0.65 -4.70 118.16 118.60 1vib n LYS 36 Ca 0.07 -0.24 0.01 0.00 -0.87 0.00 0.00 58.31 57.28 1vib n LYS 36 Cb 0.23 -0.72 0.09 0.00 0.02 0.00 0.00 35.03 34.65 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 -3.05 -0.05 -0.37 0.00 0.00 -1.22 -0.74 120.51 115.08 1vib n ALA 38 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1vib n ALA 38 Cb 0.37 0.12 0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.99 0.10 -0.29 0.00 0.00 -1.04 0.18 120.51 118.47 1vib n ALA 39 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 53.44 54.58 1vib n ALA 39 Cb 0.00 -0.57 0.24 0.00 0.00 0.00 0.00 19.45 19.11 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 0.72 0.08 0.00 2.76 -0.62 0.11 115.15 118.20 1vib h HIS 40 Ca 0.43 0.04 -0.25 0.00 -2.20 0.00 0.00 60.37 58.38 1vib h HIS 40 Cb 0.68 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1vib h HIS 40 CO -0.81 0.12 -1.11 0.00 -1.30 0.00 0.00 177.93 174.83 1vib h ILE 42 N 0.13 0.32 -0.30 0.00 2.10 0.14 -1.43 117.51 118.46 1vib h ILE 42 Ca -0.11 0.00 0.09 0.00 1.08 0.00 0.00 64.86 65.92 1vib h ILE 42 Cb 1.80 0.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1vib h ILE 42 CO 0.18 0.00 0.76 -0.29 -1.08 0.00 0.00 178.15 177.72 1vib h ILE 43 N -0.71 0.07 -0.09 2.19 2.10 -1.00 0.33 117.51 120.40 1vib h ILE 43 Ca -0.03 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.68 1vib h ILE 43 Cb 0.63 0.31 0.01 0.00 -1.09 0.00 0.00 36.82 36.68 1vib h ILE 43 CO -0.04 0.00 -0.86 1.56 -1.08 0.00 0.00 178.15 177.73 1vib h GLN 44 N 0.00 0.74 -0.06 2.19 7.50 -1.38 0.41 115.11 124.51 1vib h GLN 44 Ca 0.14 -0.68 -0.14 0.00 0.50 0.00 0.00 58.65 58.48 1vib h GLN 44 Cb 1.65 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 29.33 1vib h GLN 44 CO -0.00 1.27 -0.58 1.57 -1.50 0.00 0.00 178.83 179.59 1vib h LYS 45 N 0.45 0.18 0.00 1.46 2.10 -0.43 -2.86 116.57 117.47 1vib h LYS 45 Ca -0.08 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1vib h LYS 45 Cb 1.50 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 1vib h LYS 45 CO 0.17 0.71 0.00 0.09 -2.00 0.00 0.00 179.45 178.42 1vib n ASN 46 N -3.88 0.00 -0.17 7.07 4.13 -0.83 -3.45 115.26 118.13 1vib n ASN 46 Ca -0.02 0.61 0.05 0.00 1.68 0.00 0.00 54.58 56.90 1vib n ASN 46 Cb 0.59 -0.23 0.11 0.00 -1.54 0.00 0.00 39.78 38.71 1vib n ASN 46 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1vib n ASN 47 N -1.20 -0.12 -0.25 6.41 4.13 0.14 0.11 115.26 124.47 1vib n ASN 47 Ca 0.00 0.85 0.06 0.00 1.68 0.00 0.00 54.58 57.17 1vib n ASN 47 Cb 0.00 -0.28 0.19 0.00 -1.54 0.00 0.00 39.78 38.15 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 -5.10 0.04 -0.26 0.00 5.02 0.29 -0.15 118.16 118.00 1vib n LYS 49 Ca 0.15 0.52 0.06 0.00 -2.02 0.00 0.00 58.31 57.02 1vib n LYS 49 Cb 0.46 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.31 3.17 0.73 0.72 0.00 0.11 -3.49 105.19 105.11 1vib n GLY 50 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 0.17 0.10 -0.11 1.61 4.81 0.78 -4.92 118.16 120.61 1vib n LYS 51 Ca 0.15 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.49 1vib n LYS 51 Cb 0.57 -0.54 -0.12 0.00 0.02 0.00 0.00 35.03 34.96 1vib n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib n LYS 53 N -2.99 0.18 -4.40 0.00 5.02 -1.23 -5.06 118.16 109.67 1vib n LYS 53 Ca -0.37 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 53.84 1vib n LYS 53 Cb 1.01 -0.41 -0.10 0.00 -0.02 0.00 0.00 35.03 35.51 1vib n LYS 53 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1vib s LYS 54 N -4.09 3.12 0.00 1.97 1.02 -1.25 -4.46 119.74 116.05 1vib s LYS 54 Ca 0.42 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1vib s LYS 54 Cb -0.02 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1vib s LYS 54 CO 0.28 0.59 0.47 0.39 -0.92 0.00 0.00 175.35 176.16