#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbi n PRO 16 N 0.00 -2.08 -1.74 0.54 -0.04 -1.26 -4.86 135.00 125.55 3fbi n PRO 16 Ca 0.00 -0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 62.47 3fbi n PRO 16 Cb 0.00 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 3fbi n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3fbi n PRO 17 N -4.58 2.64 -1.42 0.54 -0.02 -1.26 -4.90 135.00 126.00 3fbi n PRO 17 Ca 0.04 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.09 3fbi n PRO 17 Cb 0.54 -2.70 0.05 0.00 -0.02 0.00 0.00 33.50 31.37 3fbi n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fbi n PRO 18 N 1.88 0.51 0.13 0.52 -0.02 -1.26 -4.88 135.00 131.88 3fbi n PRO 18 Ca 0.08 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.82 3fbi n PRO 18 Cb 0.37 -1.85 0.52 0.00 -0.02 0.00 0.00 33.50 32.52 3fbi n PRO 18 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fbi h PRO 19 N 0.06 0.27 0.00 0.52 0.11 -2.04 -2.89 132.00 128.03 3fbi h PRO 19 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fbi h PRO 19 Cb 1.37 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3fbi h PRO 19 CO 0.46 0.19 0.34 1.88 -0.21 0.00 0.00 178.00 180.66 3fbi h TYR 20 N 0.28 0.00 -0.60 0.65 0.05 -2.00 -1.97 116.97 113.39 3fbi h TYR 20 Ca 0.07 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.89 3fbi h TYR 20 Cb -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3fbi h TYR 20 CO 0.00 0.00 0.40 0.28 -1.05 0.00 0.00 178.16 177.79 3fbi h VAL 21 N 0.00 1.08 -1.20 -2.88 2.07 -1.87 -1.87 116.25 111.57 3fbi h VAL 21 Ca 0.00 -0.24 0.37 0.00 0.82 0.00 0.00 66.70 67.65 3fbi h VAL 21 Cb 0.68 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 3fbi h VAL 21 CO 0.00 0.13 0.78 0.50 0.02 0.00 0.00 177.57 178.99 3fbi h LYS 22 N 0.70 0.20 -0.01 1.57 3.64 -1.62 -0.66 116.57 120.39 3fbi h LYS 22 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3fbi h LYS 22 Cb 0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3fbi h LYS 22 CO -0.06 0.13 -0.06 1.19 -2.27 0.00 0.00 179.45 178.38 3fbi n PHE 23 N -4.66 0.00 -1.89 1.91 3.01 -0.70 -4.62 117.46 110.50 3fbi n PHE 23 Ca 0.32 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.42 3fbi n PHE 23 Cb 1.21 -0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 40.57 3fbi n PHE 23 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3fbi n PHE 24 N -0.71 2.35 -2.81 1.38 3.01 -0.25 -4.79 117.46 115.63 3fbi n PHE 24 Ca 0.18 -2.58 -0.29 0.00 1.01 0.00 0.00 57.45 55.77 3fbi n PHE 24 Cb 0.25 -1.68 -0.02 0.00 -0.01 0.00 0.00 39.48 38.02 3fbi n PHE 24 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3fbi s THR 25 N -1.61 4.87 0.32 4.37 -4.23 -1.26 -4.91 115.64 113.18 3fbi s THR 25 Ca 0.55 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 3fbi s THR 25 Cb 0.24 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.54 3fbi s THR 25 CO -0.13 -0.64 1.98 1.56 -0.54 0.00 0.00 174.62 176.85 3fbi h GLN 26 N 0.85 0.95 0.00 3.99 1.08 -1.98 0.21 115.11 120.21 3fbi h GLN 26 Ca -0.47 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3fbi h GLN 26 Cb 1.20 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3fbi h GLN 26 CO 0.63 0.64 0.00 0.45 -0.95 0.00 0.00 178.83 179.60 3fbi n SER 27 N -4.42 0.00 -0.24 1.46 2.88 -1.26 -1.06 113.62 110.99 3fbi n SER 27 Ca 0.08 0.76 0.04 0.00 -1.33 0.00 0.00 58.87 58.41 3fbi n SER 27 Cb 0.04 -0.26 0.14 0.00 -0.75 0.00 0.00 64.21 63.39 3fbi n SER 27 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fbi h ASN 28 N 0.00 -0.30 -0.71 -3.46 2.35 -1.81 0.14 115.58 111.79 3fbi h ASN 28 Ca 0.00 0.18 0.15 0.00 -0.55 0.00 0.00 56.30 56.08 3fbi h ASN 28 Cb 0.00 0.31 -0.11 0.00 0.05 0.00 0.00 38.32 38.57 3fbi h ASN 28 CO 0.00 -0.15 0.17 -0.07 -1.65 0.00 0.00 177.43 175.73 3fbi h LEU 29 N 0.12 0.01 -0.56 1.61 3.38 -0.50 -0.62 115.31 118.74 3fbi h LEU 29 Ca 0.38 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 3fbi h LEU 29 Cb 0.65 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3fbi h LEU 29 CO -0.61 -0.03 0.20 -0.33 0.09 0.00 0.00 178.44 177.76 3fbi h GLU 30 N 0.27 0.86 0.00 1.13 5.08 0.93 -2.43 114.58 120.42 3fbi h GLU 30 Ca 0.40 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3fbi h GLU 30 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3fbi h GLU 30 CO -0.49 0.76 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3fbi n LYS 31 N -4.46 0.25 0.15 2.33 5.02 -0.34 -4.04 118.16 117.06 3fbi n LYS 31 Ca 0.03 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 3fbi n LYS 31 Cb 0.18 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3fbi n LYS 31 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3fbi h LEU 32 N 0.00 -0.37 -0.92 -0.35 5.85 -0.77 -2.51 115.31 116.23 3fbi h LEU 32 Ca 0.00 -0.16 0.17 0.00 0.84 0.00 0.00 57.88 58.73 3fbi h LEU 32 Cb 0.12 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 3fbi h LEU 32 CO 0.00 0.08 0.51 -0.65 -0.34 0.00 0.00 178.44 178.05 3fbi h PRO 33 N -0.97 0.67 -0.32 5.25 0.11 -1.76 0.25 132.00 135.24 3fbi h PRO 33 Ca -0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3fbi h PRO 33 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3fbi h PRO 33 CO 0.07 0.44 0.09 0.87 -0.21 0.00 0.00 178.00 179.26 3fbi h LYS 34 N 0.69 0.50 -0.89 1.05 1.57 -1.81 -2.73 116.57 114.95 3fbi h LYS 34 Ca 0.52 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3fbi h LYS 34 Cb 0.76 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 3fbi h LYS 34 CO -0.37 0.56 0.59 -0.92 -0.57 0.00 0.00 179.45 178.73 3fbi h TYR 35 N 0.35 1.11 0.92 -1.35 3.20 -0.41 -2.29 116.97 118.50 3fbi h TYR 35 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3fbi h TYR 35 Cb 0.28 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 38.18 3fbi h TYR 35 CO 0.01 0.69 -0.44 0.87 -1.64 0.00 0.00 178.16 177.65 3fbi h LYS 36 N 1.19 -1.18 -0.56 1.82 1.57 -0.38 -1.63 116.57 117.39 3fbi h LYS 36 Ca 0.33 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 3fbi h LYS 36 Cb -0.11 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3fbi h LYS 36 CO -0.08 -0.79 0.30 1.05 -0.57 0.00 0.00 179.45 179.36 3fbi h GLU 37 N -1.32 0.78 0.00 3.15 4.11 -1.50 0.66 114.58 120.46 3fbi h GLU 37 Ca -0.13 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.20 3fbi h GLU 37 Cb 0.94 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3fbi h GLU 37 CO 0.21 0.58 -0.11 -0.22 0.07 0.00 0.00 179.01 179.54 3fbi h LYS 38 N 0.78 0.00 0.00 1.06 3.64 -1.38 -1.44 116.57 119.23 3fbi h LYS 38 Ca 0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3fbi h LYS 38 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3fbi h LYS 38 CO -0.03 0.11 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.88 3fbi h LYS 39 N 0.00 0.00 -4.19 1.90 3.64 0.16 -3.25 116.57 114.82 3fbi h LYS 39 Ca -0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.98 3fbi h LYS 39 Cb 0.20 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3fbi h LYS 39 CO 0.01 0.16 1.83 0.00 -2.27 0.00 0.00 179.45 179.19 3fbi n ALA 40 N -2.38 2.52 -0.00 5.00 0.00 -0.54 -5.12 120.51 119.98 3fbi n ALA 40 Ca -0.02 -1.95 -0.00 0.00 0.00 0.00 0.00 53.44 51.46 3fbi n ALA 40 Cb 0.25 -3.19 -0.00 0.00 0.00 0.00 0.00 19.45 16.50 3fbi n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fbi n ALA 41 N 6.30 1.92 0.00 0.00 0.00 -1.23 -5.08 120.51 122.42 3fbi n ALA 41 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3fbi n ALA 41 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3fbi n ALA 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3fbi n THR 60 N -2.57 0.00 -4.39 0.00 5.66 -1.26 -5.21 114.28 106.51 3fbi n THR 60 Ca -0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 3fbi n THR 60 Cb 0.01 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.73 3fbi n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fbi h ALA 62 N 1.59 -1.08 -0.66 0.00 0.00 -2.04 -3.09 119.26 113.98 3fbi h ALA 62 Ca -0.26 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.63 3fbi h ALA 62 Cb 1.00 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3fbi h ALA 62 CO 0.40 -1.01 0.73 -0.07 0.00 0.00 0.00 179.25 179.31 3fbi h LEU 63 N -1.16 0.00 -2.19 0.00 3.38 -1.96 0.79 115.31 114.17 3fbi h LEU 63 Ca -0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3fbi h LEU 63 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3fbi h LEU 63 CO 0.17 0.00 0.27 0.44 0.09 0.00 0.00 178.44 179.41 3fbi h ASP 64 N 0.00 0.00 1.69 -0.43 3.32 -1.93 -0.61 116.42 118.46 3fbi h ASP 64 Ca 0.31 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 3fbi h ASP 64 Cb 1.78 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 3fbi h ASP 64 CO -0.00 0.00 -0.31 1.88 -1.72 0.00 0.00 179.24 179.08 3fbi h TYR 65 N 0.00 0.00 -0.12 4.55 -1.99 -1.02 -3.03 116.97 115.36 3fbi h TYR 65 Ca 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3fbi h TYR 65 Cb 0.62 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 3fbi h TYR 65 CO 0.00 0.15 0.01 1.28 -0.00 0.00 0.00 178.16 179.61 3fbi n LEU 66 N -3.07 2.11 -3.81 3.88 4.77 -0.24 -4.70 117.00 115.95 3fbi n LEU 66 Ca 0.02 -1.07 -0.25 0.00 -0.03 0.00 0.00 56.01 54.68 3fbi n LEU 66 Cb 0.60 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.98 3fbi n LEU 66 CO 0.37 0.35 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.75 3fbi s ILE 67 N -1.28 0.64 0.26 -0.08 1.01 -1.15 -5.11 121.20 115.49 3fbi s ILE 67 Ca 0.11 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 3fbi s ILE 67 Cb 0.08 -0.84 -0.15 0.00 0.01 0.00 0.00 42.46 41.57 3fbi s ILE 67 CO 0.03 0.17 1.01 -2.65 0.00 0.00 0.00 174.94 173.50 3fbi n PRO 68 N 5.05 1.24 -1.33 2.79 -0.02 -1.26 -4.92 135.00 136.54 3fbi n PRO 68 Ca -0.09 0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 3fbi n PRO 68 Cb 0.49 -1.81 0.10 0.00 -0.02 0.00 0.00 33.50 32.27 3fbi n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fbi s PRO 69 N -1.27 1.97 0.00 0.52 0.04 -1.26 -5.13 135.00 129.87 3fbi s PRO 69 Ca 0.62 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.44 3fbi s PRO 69 Cb -0.74 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3fbi s PRO 69 CO 0.58 -1.97 0.00 -2.30 0.04 0.00 0.00 177.00 173.35 3fbi n PRO 70 N -2.89 0.00 -4.23 0.56 -0.02 -1.26 -5.26 135.00 121.90 3fbi n PRO 70 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 3fbi n PRO 70 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 3fbi n PRO 70 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3fbi s PRO 72 N 0.00 2.52 0.08 0.52 0.02 -1.26 -5.19 135.00 131.68 3fbi s PRO 72 Ca 0.00 -1.28 -0.15 0.00 0.02 0.00 0.00 61.00 59.59 3fbi s PRO 72 Cb 0.00 -2.31 -0.15 0.00 0.02 0.00 0.00 34.50 32.06 3fbi s PRO 72 CO 0.00 0.38 1.29 0.87 -0.33 0.00 0.00 177.00 179.21 3fbi h LYS 73 N 1.80 0.68 -6.50 5.54 1.57 -2.09 -3.43 116.57 114.15 3fbi h LYS 73 Ca -0.46 -0.52 -0.53 0.00 -1.87 0.00 0.00 60.65 57.27 3fbi h LYS 73 Cb 1.24 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.66 3fbi h LYS 73 CO 0.60 1.14 0.70 -0.80 -0.57 0.00 0.00 179.45 180.52 3fbi s ASN 74 N -6.86 6.90 -0.98 0.86 -0.87 -1.26 -4.97 114.94 107.76 3fbi s ASN 74 Ca -0.12 2.20 -0.04 0.00 -1.57 0.00 0.00 52.86 53.33 3fbi s ASN 74 Cb 0.07 -2.58 0.26 0.00 -0.02 0.00 0.00 41.25 38.98 3fbi s ASN 74 CO 0.86 -0.61 1.02 0.00 -2.57 0.00 0.00 177.10 175.80 3fbi n GLN 75 N 4.20 3.25 0.00 -0.60 6.02 -1.26 -4.65 117.38 124.34 3fbi n GLN 75 Ca 0.11 -4.51 0.00 0.00 -0.01 0.00 0.00 57.00 52.60 3fbi n GLN 75 Cb 0.44 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.24 3fbi n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fbi n GLN 76 N 2.11 3.17 -0.00 -1.09 10.64 -1.26 -4.73 117.38 126.21 3fbi n GLN 76 Ca 0.24 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.51 3fbi n GLN 76 Cb 0.37 -0.71 -0.13 0.00 -0.86 0.00 0.00 30.24 28.91 3fbi n GLN 76 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fbi n TYR 77 N -1.11 0.01 -2.26 2.61 4.01 -1.26 -4.66 117.16 114.50 3fbi n TYR 77 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 3fbi n TYR 77 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3fbi n TYR 77 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3fbi n ARG 78 N -1.75 3.17 0.04 -0.72 0.63 -1.26 -4.72 116.66 112.04 3fbi n ARG 78 Ca 0.01 -3.14 0.13 0.00 -0.92 0.00 0.00 57.85 53.94 3fbi n ARG 78 Cb 0.41 -3.25 0.43 0.00 0.45 0.00 0.00 32.46 30.50 3fbi n ARG 78 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fbi n ALA 79 N 6.31 2.55 -2.73 5.13 0.00 -1.26 -3.73 120.51 126.79 3fbi n ALA 79 Ca 0.47 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 3fbi n ALA 79 Cb 0.41 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 3fbi n ALA 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fbi n PHE 80 N -1.85 2.62 -3.92 0.00 3.72 -1.26 -5.03 117.46 111.73 3fbi n PHE 80 Ca 0.06 -3.35 -0.09 0.00 -0.05 0.00 0.00 57.45 54.02 3fbi n PHE 80 Cb 0.38 -0.29 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 3fbi n PHE 80 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3fbi s GLY 81 N -3.28 0.17 0.00 1.37 0.00 -1.24 -5.28 107.32 99.05 3fbi s GLY 81 Ca 0.42 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3fbi s GLY 81 CO -0.11 -0.74 0.50 -1.26 0.00 0.00 0.00 173.10 171.48