#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 5.39 0.15 0.00 1.04 -1.26 -5.09 113.70 113.93 1vib s SER 2 Ca 0.00 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.24 1vib s SER 2 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1vib s SER 2 CO 0.00 -0.37 0.26 0.00 0.98 0.00 0.00 173.24 174.11 1vib s ALA 3 N 1.41 3.91 -1.52 5.32 0.00 -1.26 -4.99 121.76 124.63 1vib s ALA 3 Ca -0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 1vib s ALA 3 Cb -0.20 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1vib s ALA 3 CO 0.03 0.55 2.71 0.25 0.00 0.00 0.00 175.76 179.30 1vib n THR 4 N -0.48 4.51 -1.00 0.00 -2.24 -1.26 -4.88 114.28 108.92 1vib n THR 4 Ca -0.07 -3.15 -0.01 0.00 -2.27 0.00 0.00 64.05 58.54 1vib n THR 4 Cb 0.54 -2.46 -0.01 0.00 -2.10 0.00 0.00 70.33 66.30 1vib n THR 4 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1vib n TRP 5 N 3.29 0.02 0.01 4.78 7.02 -1.26 -1.38 117.44 129.93 1vib n TRP 5 Ca 0.71 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 57.17 1vib n TRP 5 Cb 0.25 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 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 4.12 -1.63 0.24 6.99 0.00 -1.26 -4.68 105.19 108.95 1vib n GLY 6 Ca 0.02 0.64 0.11 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.64 0.38 -0.12 4.61 0.00 -0.48 -0.36 120.51 121.90 1vib n ALA 7 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 1vib n ALA 7 Cb 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.58 1.48 -3.02 0.00 0.00 -1.26 -5.06 120.51 111.07 1vib n ALA 8 Ca 0.09 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1vib n ALA 8 Cb 0.69 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.49 3.27 0.00 0.00 -0.85 0.51 -5.04 117.35 112.75 1vib s TYR 9 Ca -0.28 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.14 1vib s TYR 9 Cb 0.08 -3.13 0.00 0.00 0.38 0.00 0.00 41.96 39.29 1vib s TYR 9 CO 0.62 -0.82 0.00 0.00 -1.52 0.00 0.00 175.55 173.83 1vib n ALA 11 N 5.12 0.00 0.14 9.51 0.00 -1.26 -4.31 120.51 129.71 1vib n ALA 11 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1vib n ALA 11 Cb 0.43 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.05 0.18 -0.32 0.00 0.00 -1.26 -4.60 120.64 112.59 1vib n GLU 13 Ca -0.01 0.06 0.09 0.00 0.00 0.00 0.00 57.16 57.30 1vib n GLU 13 Cb 0.04 -0.97 0.29 0.00 0.00 0.00 0.00 31.44 30.81 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 -0.15 0.82 -0.88 4.31 -0.26 -1.81 0.03 115.58 117.64 1vib h ASN 14 Ca -0.19 0.04 0.22 0.00 -0.56 0.00 0.00 56.30 55.81 1vib h ASN 14 Cb 1.22 -0.12 -0.13 0.00 -1.06 0.00 0.00 38.32 38.23 1vib h ASN 14 CO -0.08 0.44 0.36 -0.55 -1.06 0.00 0.00 177.43 176.54 1vib h ASN 15 N 0.88 0.27 1.11 5.81 -1.07 -0.58 0.47 115.58 122.48 1vib h ASN 15 Ca 0.47 0.16 0.00 0.00 0.07 0.00 0.00 56.30 57.00 1vib h ASN 15 Cb 0.55 0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1vib h ASN 15 CO -0.23 -0.02 -0.79 0.00 0.07 0.00 0.00 177.43 176.45 1vib h ARG 17 N 0.00 0.64 -0.05 0.00 2.43 0.11 0.15 114.38 117.65 1vib h ARG 17 Ca 0.00 -0.41 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 1vib h ARG 17 Cb 0.95 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1vib h ARG 17 CO 0.00 1.02 -0.42 0.87 -1.51 0.00 0.00 179.97 179.94 1vib h LYS 18 N 0.33 0.38 -0.52 0.20 1.79 -1.02 -3.04 116.57 114.68 1vib h LYS 18 Ca 0.01 -0.33 0.07 0.00 -2.18 0.00 0.00 60.65 58.22 1vib h LYS 18 Cb 0.99 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.66 1vib h LYS 18 CO 0.09 0.99 0.19 -0.22 -1.08 0.00 0.00 179.45 179.42 1vib h LYS 19 N -0.12 0.36 -0.84 3.15 1.63 -1.38 -0.50 116.57 118.87 1vib h LYS 19 Ca -0.04 -0.02 0.16 0.00 -0.85 0.00 0.00 60.65 59.90 1vib h LYS 19 Cb 1.09 -0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 32.54 1vib h LYS 19 CO 0.08 0.24 0.40 -0.92 -3.45 0.00 0.00 179.45 175.81 1vib h TYR 20 N 0.38 0.69 0.60 1.91 3.20 -0.68 0.41 116.97 123.47 1vib h TYR 20 Ca 0.25 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1vib h TYR 20 Cb 0.27 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.36 1vib h TYR 20 CO -0.16 0.12 -0.29 -0.44 -1.64 0.00 0.00 178.16 175.75 1vib h ASP 21 N 0.55 -0.68 -0.01 -2.11 3.32 -1.04 -3.05 116.42 113.40 1vib h ASP 21 Ca 0.47 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.53 1vib h ASP 21 Cb 0.72 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 1vib h ASP 21 CO -0.40 -0.32 -0.31 -0.07 -1.72 0.00 0.00 179.24 176.42 1vib h LEU 22 N -1.08 -0.92 -1.91 1.55 3.38 -0.64 -2.18 115.31 113.51 1vib h LEU 22 Ca -0.08 0.12 0.56 0.00 0.09 0.00 0.00 57.88 58.57 1vib h LEU 22 Cb 0.67 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1vib h LEU 22 CO 0.13 -0.37 1.35 0.00 0.09 0.00 0.00 178.44 179.64 1vib n ILE 24 N -4.05 1.92 -2.40 0.00 5.41 -0.82 -4.63 119.36 114.78 1vib n ILE 24 Ca 0.44 -1.94 -0.40 0.00 1.00 0.00 0.00 62.75 61.85 1vib n ILE 24 Cb 1.95 -2.20 0.01 0.00 -0.71 0.00 0.00 39.64 38.69 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 8.02 5.00 0.10 0.38 3.00 -1.26 -4.54 116.66 127.37 1vib n ARG 25 Ca 0.46 -4.24 0.08 0.00 -0.01 0.00 0.00 57.85 54.15 1vib n ARG 25 Cb 0.45 -2.49 0.41 0.00 0.00 0.00 0.00 32.46 30.83 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 -3.32 3.27 3.64 0.00 0.00 -1.26 -3.40 119.66 118.59 1vib s GLN 27 Ca 0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 55.36 54.97 1vib s GLN 27 Cb 0.06 -2.99 0.00 0.00 0.00 0.00 0.00 33.01 30.08 1vib s GLN 27 CO 0.20 0.66 0.00 0.41 0.00 0.00 0.00 175.29 176.56 1vib n GLY 28 N 1.03 0.93 0.34 2.60 0.00 -1.26 -3.65 105.19 105.18 1vib n GLY 28 Ca -0.12 0.40 0.17 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.70 1.61 3.64 -1.88 0.21 116.57 119.47 1vib h LYS 29 Ca 0.00 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1vib h LYS 29 Cb 0.00 -0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.50 1vib h LYS 29 CO 0.00 0.01 -0.27 0.91 -2.27 0.00 0.00 179.45 177.83 1vib n TRP 30 N -5.44 2.42 -0.91 1.91 7.02 -0.16 -4.96 117.44 117.33 1vib n TRP 30 Ca 0.25 -2.26 -0.11 0.00 -1.02 0.00 0.00 57.50 54.36 1vib n TRP 30 Cb 0.84 -0.62 -0.03 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.86 0.26 0.00 6.99 0.00 0.75 0.17 120.51 127.82 1vib n ALA 31 Ca 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1vib n ALA 31 Cb 0.90 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 4.08 1.40 0.00 0.00 0.00 -1.26 -4.87 105.19 104.54 1vib n GLY 32 Ca 0.13 0.00 0.15 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 -0.04 0.55 0.00 1.61 4.76 0.44 -4.37 118.16 121.11 1vib n LYS 33 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1vib n LYS 33 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.22 0.00 -0.54 1.97 3.00 0.33 0.69 116.66 120.90 1vib n ARG 34 Ca 0.16 0.42 0.44 0.00 -0.00 0.00 0.00 57.85 58.86 1vib n ARG 34 Cb 0.20 -0.62 0.71 0.00 0.00 0.00 0.00 32.46 32.75 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 -1.00 -0.87 0.09 5.14 0.00 -1.26 0.12 105.19 107.41 1vib n GLY 35 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.44 0.65 -0.35 1.61 4.81 0.22 -3.70 118.16 116.95 1vib n LYS 36 Ca 0.41 0.25 0.06 0.00 -0.87 0.00 0.00 58.31 58.17 1vib n LYS 36 Cb 1.68 -1.75 0.23 0.00 0.02 0.00 0.00 35.03 35.21 1vib n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vib h ALA 38 N 1.52 -0.87 -0.73 0.00 0.00 -1.48 -0.48 119.26 117.22 1vib h ALA 38 Ca 0.47 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.46 1vib h ALA 38 Cb 0.41 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 1vib h ALA 38 CO -0.23 -0.87 -0.49 0.00 0.00 0.00 0.00 179.25 177.66 1vib h ALA 39 N -1.79 -0.39 -0.97 0.00 0.00 -1.54 0.22 119.26 114.79 1vib h ALA 39 Ca -0.01 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1vib h ALA 39 Cb 0.07 1.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 1vib h ALA 39 CO 0.00 -0.87 -0.52 1.25 0.00 0.00 0.00 179.25 179.11 1vib h HIS 40 N -0.16 -1.60 0.00 0.00 2.76 -0.90 0.21 115.15 115.45 1vib h HIS 40 Ca 0.18 0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.43 1vib h HIS 40 Cb 0.53 0.83 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1vib h HIS 40 CO -0.83 -0.39 -0.21 0.00 -1.30 0.00 0.00 177.93 175.21 1vib h ILE 42 N 0.00 1.33 -1.28 0.00 2.10 0.26 -2.86 117.51 117.05 1vib h ILE 42 Ca -0.00 -1.30 0.38 0.00 1.08 0.00 0.00 64.86 65.02 1vib h ILE 42 Cb 0.79 1.80 -0.10 0.00 -1.09 0.00 0.00 36.82 38.22 1vib h ILE 42 CO 0.03 0.39 0.86 0.40 -1.08 0.00 0.00 178.15 178.74 1vib h ILE 43 N 0.07 0.28 0.15 2.19 2.04 -1.37 -0.86 117.51 120.00 1vib h ILE 43 Ca 0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1vib h ILE 43 Cb 0.68 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1vib h ILE 43 CO 0.04 0.03 -0.09 1.56 0.00 0.00 0.00 178.15 179.69 1vib h GLN 44 N 0.15 -0.22 -0.93 2.37 7.50 -1.63 0.95 115.11 123.31 1vib h GLN 44 Ca 0.72 0.01 0.23 0.00 0.50 0.00 0.00 58.65 60.11 1vib h GLN 44 Cb 2.34 0.05 -0.06 0.00 0.05 0.00 0.00 27.48 29.85 1vib h GLN 44 CO -0.27 -0.14 0.62 1.57 -1.50 0.00 0.00 178.83 179.11 1vib h LYS 45 N -0.22 0.31 0.00 1.46 2.10 -1.21 -0.28 116.57 118.72 1vib h LYS 45 Ca -0.02 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1vib h LYS 45 Cb 0.18 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1vib h LYS 45 CO 0.03 0.20 -0.54 -0.91 -2.00 0.00 0.00 179.45 176.23 1vib h ASN 46 N 0.32 0.00 0.20 7.07 4.21 -1.09 -3.28 115.58 123.01 1vib h ASN 46 Ca 0.48 -0.01 -0.33 0.00 1.21 0.00 0.00 56.30 57.65 1vib h ASN 46 Cb 1.35 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.57 1vib h ASN 46 CO -0.16 0.00 -1.61 -1.13 -1.29 0.00 0.00 177.43 173.25 1vib h ASN 47 N 0.00 0.66 -0.88 5.81 -1.24 0.26 -3.30 115.58 116.89 1vib h ASN 47 Ca 0.00 -0.93 0.20 0.00 0.71 0.00 0.00 56.30 56.28 1vib h ASN 47 Cb 0.99 -0.21 -0.16 0.00 0.73 0.00 0.00 38.32 39.66 1vib h ASN 47 CO 0.00 1.74 -0.10 0.00 -1.29 0.00 0.00 177.43 177.78 1vib h LYS 49 N 0.03 0.00 -0.18 0.00 1.79 -1.64 0.14 116.57 116.71 1vib h LYS 49 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1vib h LYS 49 Cb 0.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1vib h LYS 49 CO -0.85 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 177.93 1vib n GLY 50 N -1.52 4.24 0.74 3.86 0.00 0.79 -2.88 105.19 110.41 1vib n GLY 50 Ca 0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.75 0.17 -0.11 1.61 4.81 0.34 -4.87 118.16 119.37 1vib n LYS 51 Ca 0.19 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.55 1vib n LYS 51 Cb 0.80 -0.80 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 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 -3.08 -0.37 -4.65 0.00 5.02 -1.14 -5.02 118.16 108.92 1vib n LYS 53 Ca -0.39 -2.50 -0.29 0.00 -2.02 0.00 0.00 58.31 53.10 1vib n LYS 53 Cb 0.98 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 35.08 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 -5.23 2.02 0.00 1.97 1.02 -1.21 -4.25 119.74 114.06 1vib s LYS 54 Ca 0.67 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1vib s LYS 54 Cb -0.03 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1vib s LYS 54 CO 0.45 -0.15 0.23 -0.85 -0.92 0.00 0.00 175.35 174.11