#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccq s GLY 2 N 0.00 2.59 0.00 3.41 0.00 -1.26 -4.94 107.32 107.11 3ccq s GLY 2 Ca 0.00 0.73 0.29 0.00 0.00 0.00 0.00 44.72 45.74 3ccq s GLY 2 CO 0.00 1.07 1.87 0.00 0.00 0.00 0.00 173.10 176.04 3ccq n ALA 3 N -1.11 2.49 -1.05 3.20 0.00 -1.26 -3.11 120.51 119.67 3ccq n ALA 3 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ccq n ALA 3 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3ccq n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ccq n GLY 4 N 1.50 0.87 0.33 0.00 0.00 -1.26 -4.40 105.19 102.24 3ccq n GLY 4 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3ccq n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ccq h THR 5 N 0.00 0.09 -0.81 2.61 2.02 -2.01 0.28 112.91 115.10 3ccq h THR 5 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3ccq h THR 5 Cb 0.00 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 3ccq h THR 5 CO 0.00 0.00 0.53 1.55 0.37 0.00 0.00 175.52 177.97 3ccq h PRO 6 N -0.00 0.79 -0.04 6.66 0.13 -1.88 -0.61 132.00 137.04 3ccq h PRO 6 Ca 0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 3ccq h PRO 6 Cb 0.66 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3ccq h PRO 6 CO -0.94 0.52 0.00 0.43 -0.23 0.00 0.00 178.00 177.78 3ccq n SER 7 N -4.50 0.46 0.10 1.44 7.64 0.08 -3.42 113.62 115.43 3ccq n SER 7 Ca 0.13 -1.48 0.07 0.00 1.01 0.00 0.00 58.87 58.59 3ccq n SER 7 Cb 0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3ccq n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3ccq h GLN 8 N 0.62 0.00 0.00 1.43 1.08 -0.96 -3.36 115.11 113.92 3ccq h GLN 8 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ccq h GLN 8 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3ccq h GLN 8 CO 0.00 0.16 0.00 0.78 -0.95 0.00 0.00 178.83 178.82 3ccq h GLY 9 N 3.84 0.00 0.77 3.46 0.00 -1.64 -2.76 103.07 106.74 3ccq h GLY 9 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ccq h GLY 9 CO 0.02 0.00 -0.23 0.28 0.00 0.00 0.00 176.54 176.61 3ccq n LYS 10 N -2.82 0.55 -1.64 4.80 5.02 -1.26 -4.67 118.16 118.13 3ccq n LYS 10 Ca -0.00 -0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3ccq n LYS 10 Cb 0.21 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3ccq n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ccq n LYS 11 N -1.00 2.45 -0.14 1.97 5.02 -1.04 -4.49 118.16 120.94 3ccq n LYS 11 Ca 0.11 -2.43 0.09 0.00 -2.02 0.00 0.00 58.31 54.06 3ccq n LYS 11 Cb 0.32 -3.21 0.15 0.00 -0.02 0.00 0.00 35.03 32.27 3ccq n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ccq n ASN 12 N 6.93 2.37 -4.87 4.39 6.94 -1.26 -5.03 115.26 124.72 3ccq n ASN 12 Ca 0.51 -3.17 -0.32 0.00 -0.02 0.00 0.00 54.58 51.58 3ccq n ASN 12 Cb 0.40 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 37.32 3ccq n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ccq s THR 13 N -2.91 4.87 -0.15 5.53 2.01 -1.26 -5.09 115.64 118.64 3ccq s THR 13 Ca 0.33 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 62.88 3ccq s THR 13 Cb 0.29 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 3ccq s THR 13 CO 0.02 -0.09 -0.02 -0.89 -0.69 0.00 0.00 174.62 172.96 3ccq s THR 14 N -1.85 4.09 0.00 -0.82 2.01 -1.26 -5.00 115.64 112.82 3ccq s THR 14 Ca 0.49 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3ccq s THR 14 Cb -0.11 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.61 3ccq s THR 14 CO 0.20 0.50 0.00 0.35 -0.69 0.00 0.00 174.62 174.98 3ccq n THR 15 N 3.38 0.00 -2.08 -0.82 -2.24 -1.26 -4.80 114.28 106.46 3ccq n THR 15 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3ccq n THR 15 Cb 0.52 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3ccq n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ccq s HIS 16 N 0.00 2.54 0.14 4.78 3.76 -1.26 -1.21 115.29 124.03 3ccq s HIS 16 Ca 0.00 0.53 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 3ccq s HIS 16 Cb 0.00 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 3ccq s HIS 16 CO 0.00 -3.21 -0.03 0.95 -0.85 0.00 0.00 174.74 171.60 3ccq s THR 17 N 2.81 0.68 -0.36 1.30 -4.23 0.77 -4.79 115.64 111.82 3ccq s THR 17 Ca 0.69 -1.96 -0.40 0.00 -1.18 0.00 0.00 61.69 58.84 3ccq s THR 17 Cb -0.35 -1.91 -0.15 0.00 1.34 0.00 0.00 72.50 71.44 3ccq s THR 17 CO 0.29 -0.67 1.98 1.17 -0.54 0.00 0.00 174.62 176.86 3ccq n LYS 18 N -0.14 0.83 -2.54 3.99 3.00 -1.26 -0.49 118.16 121.54 3ccq n LYS 18 Ca -0.09 0.27 -0.42 0.00 -0.00 0.00 0.00 58.31 58.06 3ccq n LYS 18 Cb 0.62 -2.08 -0.03 0.00 0.00 0.00 0.00 35.03 33.54 3ccq n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ccq h ARG 20 N 7.29 0.58 0.00 0.00 2.43 -1.89 -0.91 114.38 121.88 3ccq h ARG 20 Ca -0.34 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3ccq h ARG 20 Cb 1.16 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3ccq h ARG 20 CO 0.87 0.39 -0.21 -0.09 -1.51 0.00 0.00 179.97 179.41 3ccq h ARG 21 N 0.60 0.00 0.00 0.20 2.43 -1.96 -3.42 114.38 112.23 3ccq h ARG 21 Ca 0.62 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.59 3ccq h ARG 21 Cb 1.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3ccq h ARG 21 CO -0.41 0.33 -1.46 0.00 -1.51 0.00 0.00 179.97 176.92 3ccq n GLY 23 N 1.43 2.39 3.82 0.00 0.00 -0.35 -5.02 105.19 107.45 3ccq n GLY 23 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3ccq n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ccq s GLU 24 N -0.94 3.08 -1.23 1.61 0.41 -1.26 -4.47 118.70 115.91 3ccq s GLU 24 Ca 0.00 1.01 -0.10 0.00 -0.41 0.00 0.00 54.97 55.47 3ccq s GLU 24 Cb 0.00 -2.01 0.19 0.00 -1.78 0.00 0.00 34.13 30.54 3ccq s GLU 24 CO 0.00 -0.99 1.69 1.17 -0.49 0.00 0.00 175.26 176.64 3ccq n LYS 25 N -2.81 3.69 -0.15 1.61 4.81 -1.26 0.10 118.16 124.15 3ccq n LYS 25 Ca 0.08 -3.79 0.00 0.00 -0.87 0.00 0.00 58.31 53.73 3ccq n LYS 25 Cb 0.53 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.71 3ccq n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3ccq n SER 26 N 3.83 0.15 -4.53 3.14 7.64 -1.02 -4.36 113.62 118.48 3ccq n SER 26 Ca 0.36 -1.38 -0.43 0.00 1.01 0.00 0.00 58.87 58.43 3ccq n SER 26 Cb 0.37 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 3ccq n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3ccq s TYR 27 N -0.11 2.70 -0.57 1.43 5.04 0.35 -0.74 117.35 125.45 3ccq s TYR 27 Ca 0.01 0.01 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 3ccq s TYR 27 Cb 0.01 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 38.07 3ccq s TYR 27 CO 0.00 -1.49 1.71 -1.58 -1.34 0.00 0.00 175.55 172.85 3ccq s HIS 28 N 4.31 1.86 -1.25 4.97 5.65 -0.54 -0.16 115.29 130.13 3ccq s HIS 28 Ca 0.32 0.64 0.02 0.00 0.25 0.00 0.00 55.06 56.29 3ccq s HIS 28 Cb -0.12 -4.20 0.11 0.00 -1.18 0.00 0.00 32.58 27.19 3ccq s HIS 28 CO 0.19 -2.31 0.96 -2.37 -0.65 0.00 0.00 174.74 170.56 3ccq n THR 29 N 7.11 1.39 -0.13 0.89 5.66 -0.35 0.22 114.28 129.07 3ccq n THR 29 Ca 0.18 0.35 -0.22 0.00 -3.05 0.00 0.00 64.05 61.31 3ccq n THR 29 Cb 0.50 -1.31 -0.11 0.00 -1.55 0.00 0.00 70.33 67.86 3ccq n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3ccq n LYS 30 N -1.38 0.63 0.14 1.09 5.02 -1.26 -4.43 118.16 117.98 3ccq n LYS 30 Ca 0.01 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3ccq n LYS 30 Cb 0.02 -1.52 0.20 0.00 -0.02 0.00 0.00 35.03 33.71 3ccq n LYS 30 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ccq h LYS 31 N -0.31 0.00 -5.99 1.97 1.57 -1.79 -3.47 116.57 108.54 3ccq h LYS 31 Ca -0.61 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.75 3ccq h LYS 31 Cb 1.81 0.00 0.08 0.00 0.08 0.00 0.00 32.23 34.20 3ccq h LYS 31 CO -0.19 0.00 -0.71 1.63 -0.57 0.00 0.00 179.45 179.61 3ccq n LYS 32 N -2.64 -7.04 -3.79 3.15 4.76 0.58 -4.99 118.16 108.19 3ccq n LYS 32 Ca 0.03 0.75 -0.14 0.00 -2.87 0.00 0.00 58.31 56.08 3ccq n LYS 32 Cb 0.49 -5.74 -0.15 0.00 -1.84 0.00 0.00 35.03 27.79 3ccq n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ccq s VAL 33 N -3.33 -0.04 -0.24 -0.18 1.01 -1.18 -4.57 120.40 111.86 3ccq s VAL 33 Ca 0.56 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 3ccq s VAL 33 Cb -0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 3ccq s VAL 33 CO 0.77 0.07 0.85 0.00 0.00 0.00 0.00 175.10 176.78 3ccq n SER 35 N 6.05 0.65 -0.08 0.00 3.41 0.08 -1.40 113.62 122.34 3ccq n SER 35 Ca 0.06 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3ccq n SER 35 Cb 0.47 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3ccq n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ccq n SER 36 N -2.19 1.84 -0.85 4.04 2.88 -1.26 -4.66 113.62 113.42 3ccq n SER 36 Ca 0.03 0.55 0.12 0.00 -1.33 0.00 0.00 58.87 58.23 3ccq n SER 36 Cb 0.26 -0.87 0.08 0.00 -0.75 0.00 0.00 64.21 62.93 3ccq n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ccq n GLY 38 N 1.34 0.44 3.71 0.00 0.00 -0.49 -0.61 105.19 109.58 3ccq n GLY 38 Ca 0.13 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3ccq n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ccq n PHE 39 N -2.86 2.54 -0.39 1.61 7.35 -1.25 -1.25 117.46 123.21 3ccq n PHE 39 Ca -0.00 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3ccq n PHE 39 Cb 0.07 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.39 3ccq n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ccq n GLY 40 N 1.77 1.42 0.67 7.13 0.00 -1.26 -0.80 105.19 114.12 3ccq n GLY 40 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ccq n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ccq n LYS 41 N -2.00 0.00 -4.19 1.61 4.81 -0.38 -4.82 118.16 113.19 3ccq n LYS 41 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 3ccq n LYS 41 Cb 0.00 -0.66 -0.13 0.00 0.02 0.00 0.00 35.03 34.26 3ccq n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3ccq s SER 42 N -4.65 1.06 0.22 3.14 1.04 -0.55 -5.02 113.70 108.94 3ccq s SER 42 Ca 0.00 -0.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 3ccq s SER 42 Cb 0.00 -0.04 0.20 0.00 0.10 0.00 0.00 66.02 66.28 3ccq s SER 42 CO 0.00 -0.04 1.68 0.00 0.98 0.00 0.00 173.24 175.85 3ccq h ALA 43 N 5.09 0.94 -2.34 5.32 0.00 -1.98 -3.42 119.26 122.87 3ccq h ALA 43 Ca -0.34 -0.32 -0.51 0.00 0.00 0.00 0.00 54.91 53.74 3ccq h ALA 43 Cb 1.19 -0.19 0.09 0.00 0.00 0.00 0.00 17.79 18.89 3ccq h ALA 43 CO 0.44 0.62 0.37 0.15 0.00 0.00 0.00 179.25 180.84 3ccq s LYS 44 N -4.86 2.96 0.12 0.00 1.02 -1.26 -5.01 119.74 112.71 3ccq s LYS 44 Ca -0.10 1.01 -0.28 0.00 0.02 0.00 0.00 55.97 56.61 3ccq s LYS 44 Cb 0.14 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.39 3ccq s LYS 44 CO 0.83 -1.09 0.88 1.03 -0.92 0.00 0.00 175.35 176.09 3ccq s ARG 45 N -4.89 4.65 0.08 1.68 1.81 -1.26 -4.83 118.95 116.19 3ccq s ARG 45 Ca 0.59 1.31 -0.31 0.00 -1.72 0.00 0.00 55.73 55.60 3ccq s ARG 45 Cb -0.14 -3.34 -0.09 0.00 -0.45 0.00 0.00 34.95 30.93 3ccq s ARG 45 CO 0.52 0.33 1.68 0.50 -0.68 0.00 0.00 175.30 177.66 3ccq s ARG 46 N -0.36 4.19 -0.25 3.54 3.52 0.22 -4.97 118.95 124.84 3ccq s ARG 46 Ca 0.42 2.38 -0.19 0.00 -0.13 0.00 0.00 55.73 58.22 3ccq s ARG 46 Cb -0.23 -3.58 0.07 0.00 -1.56 0.00 0.00 34.95 29.65 3ccq s ARG 46 CO 0.28 -0.75 0.64 0.34 -0.81 0.00 0.00 175.30 175.00 3ccq s ASP 47 N 2.40 -0.76 0.07 -2.12 -1.08 -1.26 -4.78 116.67 109.14 3ccq s ASP 47 Ca 0.75 1.35 0.05 0.00 -0.52 0.00 0.00 52.55 54.17 3ccq s ASP 47 Cb -0.41 1.30 -0.03 0.00 -1.46 0.00 0.00 42.92 42.32 3ccq s ASP 47 CO 0.33 -0.23 -0.13 -0.31 0.52 0.00 0.00 175.17 175.35 3ccq s TYR 48 N 0.91 1.13 0.15 -5.34 1.51 -1.26 -5.04 117.35 109.41 3ccq s TYR 48 Ca -0.04 -0.47 0.27 0.00 -1.01 0.00 0.00 57.07 55.81 3ccq s TYR 48 Cb -0.05 -0.64 1.10 0.00 -0.11 0.00 0.00 41.96 42.26 3ccq s TYR 48 CO -0.08 0.03 1.89 0.93 -1.11 0.00 0.00 175.55 177.22 3ccq h GLU 49 N 4.29 0.00 0.00 -0.62 4.39 -2.01 -2.95 114.58 117.68 3ccq h GLU 49 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3ccq h GLU 49 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3ccq h GLU 49 CO 0.41 0.15 0.00 -2.67 -1.16 0.00 0.00 179.01 175.74 3ccq n TRP 50 N -3.33 0.00 1.42 4.33 4.27 -1.26 -3.15 117.44 119.73 3ccq n TRP 50 Ca 0.00 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.69 3ccq n TRP 50 Cb 0.38 -0.09 0.47 0.00 -1.36 0.00 0.00 31.31 30.71 3ccq n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3ccq n GLN 51 N -1.09 0.71 -3.59 -2.67 6.02 -1.11 -4.73 117.38 110.92 3ccq n GLN 51 Ca 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.04 3ccq n GLN 51 Cb 0.12 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 3ccq n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ccq s SER 52 N -1.78 -0.32 0.29 1.08 1.04 -1.19 -5.12 113.70 107.70 3ccq s SER 52 Ca 0.24 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 3ccq s SER 52 Cb 0.11 0.49 -0.12 0.00 0.10 0.00 0.00 66.02 66.60 3ccq s SER 52 CO 0.18 -0.84 1.45 0.29 0.98 0.00 0.00 173.24 175.31 3ccq n LYS 53 N -0.10 2.32 -0.36 4.02 4.76 -1.26 -4.88 118.16 122.67 3ccq n LYS 53 Ca -0.17 0.82 0.06 0.00 -2.87 0.00 0.00 58.31 56.15 3ccq n LYS 53 Cb 0.63 -2.51 0.14 0.00 -1.84 0.00 0.00 35.03 31.45 3ccq n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ccq n ALA 54 N 1.58 0.23 -0.70 7.82 0.00 -1.26 -0.90 120.51 127.27 3ccq n ALA 54 Ca 0.08 1.09 -0.14 0.00 0.00 0.00 0.00 53.44 54.47 3ccq n ALA 54 Cb 0.35 -0.65 0.04 0.00 0.00 0.00 0.00 19.45 19.19 3ccq n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ccq n GLY 55 N -1.62 3.81 0.00 0.00 0.00 -1.26 -5.14 105.19 100.98 3ccq n GLY 55 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3ccq n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11