#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 -1.01 -3.66 0.00 7.64 -1.26 -4.94 113.62 110.39 1vib n SER 2 Ca 0.00 0.47 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 1vib n SER 2 Cb 0.00 1.11 -0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1vib n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vib n ALA 3 N -3.24 6.09 -3.16 -0.43 0.00 -1.26 -4.79 120.51 113.72 1vib n ALA 3 Ca 0.00 -4.03 -0.38 0.00 0.00 0.00 0.00 53.44 49.02 1vib n ALA 3 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 19.45 16.29 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 3.45 4.37 -4.58 0.00 -1.04 -1.26 -5.01 114.28 110.21 1vib n THR 4 Ca 0.54 -5.69 -0.28 0.00 -2.04 0.00 0.00 64.05 56.58 1vib n THR 4 Cb 0.32 -2.11 -0.07 0.00 -1.82 0.00 0.00 70.33 66.65 1vib n THR 4 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1vib s TRP 5 N -2.62 1.77 0.00 -1.42 0.52 -1.26 -4.92 118.94 111.01 1vib s TRP 5 Ca 0.34 -1.28 0.00 0.00 0.02 0.00 0.00 56.10 55.17 1vib s TRP 5 Cb 0.07 -1.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1vib s TRP 5 CO 0.06 -0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.19 1vib n GLY 6 N -1.04 0.88 0.58 0.98 0.00 -1.26 -4.89 105.19 100.44 1vib n GLY 6 Ca -0.09 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.51 -0.13 4.61 0.00 -1.26 -3.93 120.51 122.31 1vib n ALA 7 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1vib n ALA 7 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 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 0.38 1.36 -3.18 0.00 0.00 -1.26 -5.05 120.51 112.76 1vib n ALA 8 Ca 0.16 -1.08 -0.44 0.00 0.00 0.00 0.00 53.44 52.08 1vib n ALA 8 Cb 0.34 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 3.28 0.00 0.00 -0.85 -1.25 -5.02 117.35 111.00 1vib s TYR 9 Ca -0.36 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 54.94 1vib s TYR 9 Cb 0.11 -3.47 0.00 0.00 0.38 0.00 0.00 41.96 38.98 1vib s TYR 9 CO 0.54 -0.92 0.00 0.00 -1.52 0.00 0.00 175.55 173.64 1vib n ALA 11 N 5.17 0.00 -0.51 9.51 0.00 -1.26 -4.12 120.51 129.29 1vib n ALA 11 Ca -0.12 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.71 1vib n ALA 11 Cb 0.42 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.88 0.40 -0.27 0.00 0.00 -1.26 -4.55 120.64 111.10 1vib n GLU 13 Ca 0.35 0.12 0.17 0.00 0.00 0.00 0.00 57.16 57.81 1vib n GLU 13 Cb 1.52 -1.26 0.46 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 -0.24 0.51 -0.99 4.31 -0.26 -1.20 0.12 115.58 117.83 1vib h ASN 14 Ca -0.40 0.05 0.16 0.00 -0.56 0.00 0.00 56.30 55.55 1vib h ASN 14 Cb 1.51 -0.04 -0.09 0.00 -1.06 0.00 0.00 38.32 38.64 1vib h ASN 14 CO -0.14 0.21 0.62 -0.55 -1.06 0.00 0.00 177.43 176.51 1vib h ASN 15 N 0.51 0.80 1.69 5.81 -1.07 -0.70 0.35 115.58 122.97 1vib h ASN 15 Ca 0.48 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.92 1vib h ASN 15 Cb 1.05 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.21 1vib h ASN 15 CO -0.21 0.36 -0.18 0.00 0.07 0.00 0.00 177.43 177.46 1vib h ARG 17 N 0.00 -0.06 0.77 0.00 2.43 0.06 0.24 114.38 117.82 1vib h ARG 17 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1vib h ARG 17 Cb 0.93 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1vib h ARG 17 CO 0.00 0.43 -0.39 0.87 -1.51 0.00 0.00 179.97 179.37 1vib h LYS 18 N -0.59 -1.02 -0.98 0.20 1.79 -1.20 -2.48 116.57 112.29 1vib h LYS 18 Ca -0.01 0.07 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 1vib h LYS 18 Cb 0.52 0.23 -0.14 0.00 -1.58 0.00 0.00 32.23 31.26 1vib h LYS 18 CO 0.01 -0.68 -0.46 1.17 -1.08 0.00 0.00 179.45 178.41 1vib n LYS 19 N -5.55 -0.31 -0.30 3.15 0.00 -0.00 0.79 118.16 115.94 1vib n LYS 19 Ca -0.15 1.50 0.11 0.00 0.00 0.00 0.00 58.31 59.78 1vib n LYS 19 Cb 0.43 -2.22 0.28 0.00 0.00 0.00 0.00 35.03 33.51 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 0.65 0.00 5.64 3.20 -0.31 1.18 116.97 127.33 1vib h TYR 20 Ca 0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1vib h TYR 20 Cb 0.51 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1vib h TYR 20 CO -0.92 0.01 -0.14 -0.44 -1.64 0.00 0.00 178.16 175.02 1vib h ASP 21 N 0.45 0.00 -0.29 -2.11 3.32 0.38 -3.00 116.42 115.17 1vib h ASP 21 Ca 0.52 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1vib h ASP 21 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1vib h ASP 21 CO -0.48 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.24 1vib n LEU 22 N -2.38 3.01 -0.02 1.55 4.77 0.24 -4.29 117.00 119.88 1vib n LEU 22 Ca 0.05 -1.49 0.04 0.00 -0.03 0.00 0.00 56.01 54.57 1vib n LEU 22 Cb 0.45 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1vib n LEU 22 CO 0.32 0.66 -0.70 0.00 -1.33 0.00 0.00 177.39 176.34 1vib n ILE 24 N -2.05 2.53 -2.51 0.00 5.41 -1.14 -4.67 119.36 116.92 1vib n ILE 24 Ca -0.06 -2.34 -0.41 0.00 1.00 0.00 0.00 62.75 60.94 1vib n ILE 24 Cb 0.45 -2.37 0.01 0.00 -0.71 0.00 0.00 39.64 37.02 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 7.15 5.08 0.16 0.38 5.12 -1.26 -4.67 116.66 128.61 1vib n ARG 25 Ca 0.49 -4.32 0.09 0.00 -1.93 0.00 0.00 57.85 52.18 1vib n ARG 25 Cb 0.42 -2.53 0.48 0.00 -1.16 0.00 0.00 32.46 29.67 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 -3.44 2.75 2.16 0.00 0.00 -1.26 -3.71 119.66 116.15 1vib s GLN 27 Ca -0.02 -0.73 0.00 0.00 -0.00 0.00 0.00 55.36 54.61 1vib s GLN 27 Cb 0.05 -2.65 0.00 0.00 0.00 0.00 0.00 33.01 30.41 1vib s GLN 27 CO 0.16 0.56 0.00 0.41 0.00 0.00 0.00 175.29 176.43 1vib n GLY 28 N 0.60 0.30 0.28 2.60 0.00 -1.26 -3.22 105.19 104.49 1vib n GLY 28 Ca -0.10 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.01 -0.89 1.61 3.64 -1.89 0.22 116.57 119.26 1vib h LYS 29 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1vib h LYS 29 Cb 0.00 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.48 1vib h LYS 29 CO 0.00 -0.00 0.18 0.91 -2.27 0.00 0.00 179.45 178.27 1vib n TRP 30 N -5.49 3.00 -0.98 1.91 7.02 0.98 -4.95 117.44 118.93 1vib n TRP 30 Ca 0.10 -2.67 -0.15 0.00 -1.02 0.00 0.00 57.50 53.76 1vib n TRP 30 Cb 0.38 -0.99 -0.05 0.00 -2.42 0.00 0.00 31.31 28.23 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 0.37 0.00 6.99 0.00 0.06 0.86 120.51 127.95 1vib n ALA 31 Ca 0.55 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1vib n ALA 31 Cb 0.80 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 4.64 2.19 0.00 0.00 0.00 -1.26 -4.92 105.19 105.84 1vib n GLY 32 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.49 0.99 -0.10 1.61 4.76 0.25 -4.43 118.16 120.76 1vib n LYS 33 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1vib n LYS 33 Cb 0.00 -1.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 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 -0.76 -0.10 -0.45 1.97 3.00 -1.14 0.11 116.66 119.30 1vib n ARG 34 Ca 0.12 0.58 0.36 0.00 -0.00 0.00 0.00 57.85 58.91 1vib n ARG 34 Cb 0.06 -0.86 0.58 0.00 0.00 0.00 0.00 32.46 32.23 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 -1.06 -0.71 0.02 5.14 0.00 -1.26 0.12 105.19 107.45 1vib n GLY 35 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.98 0.90 -0.29 1.61 5.02 0.12 -4.01 118.16 117.53 1vib n LYS 36 Ca 0.33 -0.09 0.21 0.00 -2.02 0.00 0.00 58.31 56.74 1vib n LYS 36 Cb 1.38 -1.33 0.51 0.00 -0.02 0.00 0.00 35.03 35.56 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 -2.49 0.00 -0.20 0.00 0.00 -0.93 -3.07 120.51 113.81 1vib n ALA 38 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1vib n ALA 38 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.83 -0.26 -0.23 0.00 0.00 -1.15 0.24 120.51 117.28 1vib n ALA 39 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 1vib n ALA 39 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.00 -0.13 0.00 2.76 -0.74 0.52 115.15 116.56 1vib h HIS 40 Ca 0.10 0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1vib h HIS 40 Cb 0.22 0.53 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1vib h HIS 40 CO -0.49 -0.39 -0.40 0.00 -1.30 0.00 0.00 177.93 175.35 1vib h ILE 42 N 0.25 1.27 0.00 0.00 2.10 0.61 -1.77 117.51 119.96 1vib h ILE 42 Ca 0.02 -1.16 0.00 0.00 1.08 0.00 0.00 64.86 64.80 1vib h ILE 42 Cb 0.83 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1vib h ILE 42 CO 0.07 0.42 0.11 0.40 -1.08 0.00 0.00 178.15 178.06 1vib h ILE 43 N 0.91 0.00 0.08 2.19 2.04 -1.03 -2.15 117.51 119.55 1vib h ILE 43 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1vib h ILE 43 Cb 0.57 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1vib h ILE 43 CO 0.03 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 179.71 1vib h GLN 44 N 0.00 -0.10 -1.40 2.37 7.50 -1.38 0.15 115.11 122.26 1vib h GLN 44 Ca 0.00 0.01 0.44 0.00 0.50 0.00 0.00 58.65 59.60 1vib h GLN 44 Cb 0.23 0.02 -0.11 0.00 0.05 0.00 0.00 27.48 27.67 1vib h GLN 44 CO 0.00 -0.07 0.94 -0.22 -1.50 0.00 0.00 178.83 177.98 1vib h LYS 45 N -0.34 0.08 0.17 1.46 3.64 -1.51 0.34 116.57 120.41 1vib h LYS 45 Ca -0.01 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 1vib h LYS 45 Cb 0.08 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1vib h LYS 45 CO 0.02 0.05 -1.38 -0.91 -2.27 0.00 0.00 179.45 174.96 1vib h ASN 46 N 0.08 0.57 -0.47 4.20 2.35 -1.42 -3.13 115.58 117.75 1vib h ASN 46 Ca 0.81 -0.63 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1vib h ASN 46 Cb 2.68 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 40.85 1vib h ASN 46 CO -0.31 1.50 0.10 0.78 -1.65 0.00 0.00 177.43 177.86 1vib h ASN 47 N 0.10 0.73 -0.66 5.81 2.35 0.26 -2.79 115.58 121.37 1vib h ASN 47 Ca -0.20 -0.24 0.14 0.00 -0.55 0.00 0.00 56.30 55.46 1vib h ASN 47 Cb 2.05 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 40.12 1vib h ASN 47 CO 0.22 0.78 0.03 0.00 -1.65 0.00 0.00 177.43 176.81 1vib n LYS 49 N -5.28 0.09 0.00 0.00 5.02 -1.05 -0.11 118.16 116.82 1vib n LYS 49 Ca 0.11 0.56 0.08 0.00 -2.02 0.00 0.00 58.31 57.04 1vib n LYS 49 Cb 0.39 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 -1.32 -0.12 0.09 0.72 0.00 0.73 -2.77 105.19 102.52 1vib n GLY 50 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.32 1.08 -0.12 1.61 2.85 0.84 -4.68 118.16 119.41 1vib n LYS 51 Ca 0.07 0.03 -0.17 0.00 -1.05 0.00 0.00 58.31 57.18 1vib n LYS 51 Cb 0.35 -1.42 -0.12 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.50 2.96 0.00 0.00 1.02 -1.12 -4.91 119.74 115.20 1vib s LYS 53 Ca -0.33 -1.14 0.11 0.00 0.02 0.00 0.00 55.97 54.63 1vib s LYS 53 Cb 0.09 -2.70 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1vib s LYS 53 CO 0.58 0.02 0.74 1.63 -0.92 0.00 0.00 175.35 177.40 1vib n LYS 54 N -1.59 1.44 0.00 1.68 4.01 -1.26 -4.37 118.16 118.06 1vib n LYS 54 Ca 0.01 -0.85 0.00 0.00 -0.51 0.00 0.00 58.31 56.95 1vib n LYS 54 Cb 0.59 -1.15 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1vib n LYS 54 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44