#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptc n PRO 2 N 0.00 -3.97 0.09 -0.14 -0.01 -1.26 -4.41 135.00 125.30 2ptc n PRO 2 Ca 0.00 -1.29 0.01 0.00 -0.01 0.00 0.00 63.50 62.21 2ptc n PRO 2 Cb 0.00 -1.53 -0.02 0.00 -0.01 0.00 0.00 33.50 31.94 2ptc n PRO 2 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 175.50 175.87 2ptc h ASP 3 N -3.12 0.00 0.87 2.55 2.03 -1.99 -3.22 116.42 113.55 2ptc h ASP 3 Ca -0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.94 2ptc h ASP 3 Cb 1.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2ptc h ASP 3 CO 0.21 0.53 -0.14 2.19 -1.03 0.00 0.00 179.24 181.00 2ptc h PHE 4 N 0.00 0.00 0.00 4.15 -5.15 -1.98 -1.50 116.94 112.45 2ptc h PHE 4 Ca -0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.70 2ptc h PHE 4 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.63 2ptc h PHE 4 CO 0.00 0.14 0.00 0.00 -2.00 0.00 0.00 178.31 176.45 2ptc n LEU 6 N -1.37 1.85 -4.80 0.00 4.77 -0.57 -4.50 117.00 112.39 2ptc n LEU 6 Ca 0.06 -0.80 -0.35 0.00 -0.03 0.00 0.00 56.01 54.88 2ptc n LEU 6 Cb 0.14 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2ptc n LEU 6 CO 0.12 0.35 0.70 -1.61 -1.33 0.00 0.00 177.39 175.62 2ptc s GLU 7 N -1.94 4.10 0.58 3.23 2.02 -0.76 -4.93 118.70 120.99 2ptc s GLU 7 Ca 0.16 1.35 -0.18 0.00 0.02 0.00 0.00 54.97 56.32 2ptc s GLU 7 Cb 0.14 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 2ptc s GLU 7 CO 0.41 -0.17 1.13 -1.25 0.02 0.00 0.00 175.26 175.40 2ptc s PRO 8 N -2.86 3.14 0.31 0.39 0.04 -1.26 -4.92 135.00 129.84 2ptc s PRO 8 Ca 0.61 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2ptc s PRO 8 Cb -0.17 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 2ptc s PRO 8 CO 0.21 -1.01 1.59 -0.35 0.04 0.00 0.00 177.00 177.48 2ptc n PRO 9 N -1.66 2.74 -3.63 0.56 -0.04 -1.26 -4.98 135.00 126.73 2ptc n PRO 9 Ca 0.12 0.97 -0.40 0.00 -0.04 0.00 0.00 63.50 64.15 2ptc n PRO 9 Cb 0.51 -2.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 2ptc n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2ptc s TYR 10 N -0.19 3.33 0.12 0.54 6.04 -1.26 -4.98 117.35 120.95 2ptc s TYR 10 Ca 0.62 -1.51 -0.14 0.00 0.04 0.00 0.00 57.07 56.08 2ptc s TYR 10 Cb -0.48 -2.83 -0.03 0.00 -1.04 0.00 0.00 41.96 37.58 2ptc s TYR 10 CO 0.51 -0.82 1.54 1.15 -1.54 0.00 0.00 175.55 176.39 2ptc h THR 11 N 6.09 1.27 -0.18 4.34 2.02 -1.95 -3.44 112.91 121.07 2ptc h THR 11 Ca -0.23 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 65.83 2ptc h THR 11 Cb 1.08 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2ptc h THR 11 CO 0.73 0.38 -0.04 0.61 0.37 0.00 0.00 175.52 177.57 2ptc n GLY 12 N -0.23 -1.65 0.09 2.16 0.00 -1.26 -0.95 105.19 103.34 2ptc n GLY 12 Ca -0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 2ptc n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ptc h PRO 13 N -0.07 0.00 -7.21 1.61 0.13 -1.95 -3.43 132.00 121.07 2ptc h PRO 13 Ca -0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2ptc h PRO 13 Cb 0.07 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.30 2ptc h PRO 13 CO 0.00 0.82 0.37 0.00 -0.23 0.00 0.00 178.00 178.97 2ptc n LYS 15 N -2.48 3.31 -2.52 0.00 5.02 -1.14 -4.26 118.16 116.10 2ptc n LYS 15 Ca 0.10 -3.96 -0.26 0.00 -2.02 0.00 0.00 58.31 52.17 2ptc n LYS 15 Cb 0.52 -2.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.33 2ptc n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ptc s ALA 16 N -3.60 3.39 -0.86 7.82 0.00 0.83 -5.03 121.76 124.31 2ptc s ALA 16 Ca 0.52 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 2ptc s ALA 16 Cb 0.42 -2.53 0.21 0.00 0.00 0.00 0.00 23.12 21.23 2ptc s ALA 16 CO 0.03 -0.68 0.75 -2.13 0.00 0.00 0.00 175.76 173.73 2ptc n ARG 17 N -2.46 2.53 -3.81 0.00 0.00 -1.26 -4.17 116.66 107.50 2ptc n ARG 17 Ca 0.04 -4.50 -0.36 0.00 -0.00 0.00 0.00 57.85 53.03 2ptc n ARG 17 Cb 0.57 -2.38 -0.12 0.00 0.00 0.00 0.00 32.46 30.53 2ptc n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2ptc s ILE 18 N -1.50 4.42 -0.22 5.15 1.01 -0.58 -4.94 121.20 124.56 2ptc s ILE 18 Ca 0.28 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 2ptc s ILE 18 Cb -0.05 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2ptc s ILE 18 CO -0.13 0.35 0.62 -0.63 0.00 0.00 0.00 174.94 175.16 2ptc s ILE 19 N 1.41 5.01 0.31 2.92 1.01 -1.26 -0.04 121.20 130.57 2ptc s ILE 19 Ca 0.05 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.88 2ptc s ILE 19 Cb -0.15 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2ptc s ILE 19 CO 0.04 0.09 0.09 0.54 0.00 0.00 0.00 174.94 175.69 2ptc n ARG 20 N 5.25 0.75 -4.87 2.79 5.12 -0.99 -4.97 116.66 119.75 2ptc n ARG 20 Ca -0.01 -2.56 -0.28 0.00 -1.93 0.00 0.00 57.85 53.07 2ptc n ARG 20 Cb 0.49 1.26 -0.15 0.00 -1.16 0.00 0.00 32.46 32.91 2ptc n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2ptc s TYR 21 N -2.61 2.05 0.05 -1.55 1.51 0.05 -1.69 117.35 115.16 2ptc s TYR 21 Ca 0.12 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 2ptc s TYR 21 Cb 0.01 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2ptc s TYR 21 CO 0.09 0.07 -0.10 -0.59 -1.11 0.00 0.00 175.55 173.91 2ptc s PHE 22 N -0.73 0.83 -0.19 2.71 -0.12 0.84 0.00 117.98 121.32 2ptc s PHE 22 Ca 0.09 -0.49 -0.29 0.00 -0.05 0.00 0.00 56.93 56.19 2ptc s PHE 22 Cb -0.09 -0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 41.80 2ptc s PHE 22 CO 0.01 -0.04 1.26 -0.47 -0.05 0.00 0.00 175.22 175.93 2ptc s TYR 23 N -1.38 2.85 -0.64 3.49 6.14 -1.26 -0.69 117.35 125.86 2ptc s TYR 23 Ca -0.07 1.01 -0.20 0.00 0.64 0.00 0.00 57.07 58.45 2ptc s TYR 23 Cb -0.10 -3.55 0.09 0.00 0.42 0.00 0.00 41.96 38.82 2ptc s TYR 23 CO 0.01 -1.64 0.83 1.21 0.64 0.00 0.00 175.55 176.60 2ptc s ASN 24 N 2.07 6.21 0.56 4.32 3.84 0.20 -4.77 114.94 127.37 2ptc s ASN 24 Ca 0.54 -1.32 0.33 0.00 0.21 0.00 0.00 52.86 52.62 2ptc s ASN 24 Cb -0.20 -2.35 1.63 0.00 -0.55 0.00 0.00 41.25 39.78 2ptc s ASN 24 CO 0.15 -1.23 2.11 0.00 -2.79 0.00 0.00 177.10 175.34 2ptc h ALA 25 N 9.29 1.12 -0.27 1.71 0.00 -1.83 0.14 119.26 129.42 2ptc h ALA 25 Ca -0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2ptc h ALA 25 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2ptc h ALA 25 CO 1.13 0.08 -0.15 0.87 0.00 0.00 0.00 179.25 181.17 2ptc h LYS 26 N 0.00 0.57 0.00 0.00 1.57 -1.94 -3.10 116.57 113.67 2ptc h LYS 26 Ca -0.00 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 2ptc h LYS 26 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2ptc h LYS 26 CO 0.01 0.83 -0.61 0.00 -0.57 0.00 0.00 179.45 179.11 2ptc h ALA 27 N 0.73 0.63 -1.35 3.86 0.00 -1.95 -3.47 119.26 117.71 2ptc h ALA 27 Ca 0.06 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2ptc h ALA 27 Cb 0.68 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ptc h ALA 27 CO 0.04 0.76 -0.22 0.41 0.00 0.00 0.00 179.25 180.25 2ptc n GLY 28 N 1.13 0.06 3.50 0.00 0.00 0.45 -5.03 105.19 105.31 2ptc n GLY 28 Ca 0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2ptc n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ptc s LEU 29 N -2.48 0.70 -0.01 0.99 0.05 -1.12 -4.94 118.68 111.87 2ptc s LEU 29 Ca 0.02 -1.21 -0.27 0.00 0.05 0.00 0.00 54.13 52.72 2ptc s LEU 29 Cb -0.01 1.48 -0.04 0.00 -2.05 0.00 0.00 46.19 45.57 2ptc s LEU 29 CO 0.03 -1.17 0.85 0.00 -0.55 0.00 0.00 176.35 175.51 2ptc s GLN 31 N 0.72 2.00 0.25 0.00 -0.21 0.14 -4.93 119.66 117.63 2ptc s GLN 31 Ca 0.45 -1.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.00 2ptc s GLN 31 Cb -0.20 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 2ptc s GLN 31 CO 0.24 0.15 0.47 0.95 -2.12 0.00 0.00 175.29 174.98 2ptc s THR 32 N -2.54 5.11 0.20 -0.19 -4.23 -1.26 -0.11 115.64 112.62 2ptc s THR 32 Ca 0.34 -0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.48 2ptc s THR 32 Cb 0.00 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.16 2ptc s THR 32 CO 0.18 -0.25 0.66 0.72 -0.54 0.00 0.00 174.62 175.40 2ptc s PHE 33 N -1.98 -0.39 -0.23 3.99 -0.12 -0.68 -4.90 117.98 113.66 2ptc s PHE 33 Ca 0.41 0.08 -0.13 0.00 -0.05 0.00 0.00 56.93 57.24 2ptc s PHE 33 Cb -0.11 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2ptc s PHE 33 CO 0.29 -0.99 0.29 0.08 -0.05 0.00 0.00 175.22 174.84 2ptc s VAL 34 N -3.79 5.26 -0.19 -2.49 1.01 -1.26 -2.34 120.40 116.61 2ptc s VAL 34 Ca 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2ptc s VAL 34 Cb -0.03 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2ptc s VAL 34 CO -0.05 0.27 0.01 -0.47 0.00 0.00 0.00 175.10 174.86 2ptc s TYR 35 N 1.35 3.07 -0.76 5.22 5.04 0.95 -4.18 117.35 128.04 2ptc s TYR 35 Ca 0.13 -0.32 0.24 0.00 -2.44 0.00 0.00 57.07 54.69 2ptc s TYR 35 Cb -0.14 -2.06 0.92 0.00 0.35 0.00 0.00 41.96 41.03 2ptc s TYR 35 CO 0.07 -0.12 1.75 0.41 -1.34 0.00 0.00 175.55 176.32 2ptc n GLY 36 N 3.97 -1.45 0.00 8.97 0.00 -0.13 -1.52 105.19 115.03 2ptc n GLY 36 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ptc n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ptc n GLY 37 N 0.81 0.88 3.41 -0.02 0.00 -1.26 -0.12 105.19 108.89 2ptc n GLY 37 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2ptc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptc n ARG 39 N 0.62 -2.43 -1.57 0.00 1.74 -1.26 -4.37 116.66 109.39 2ptc n ARG 39 Ca -0.19 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 56.94 2ptc n ARG 39 Cb 0.59 -4.43 -0.00 0.00 -1.02 0.00 0.00 32.46 27.59 2ptc n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ptc n ALA 40 N -2.62 -0.31 -2.01 7.54 0.00 -1.26 -4.90 120.51 116.94 2ptc n ALA 40 Ca -0.06 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 2ptc n ALA 40 Cb 0.57 -2.00 0.07 0.00 0.00 0.00 0.00 19.45 18.09 2ptc n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ptc s LYS 41 N -1.70 2.14 0.21 0.00 1.02 -1.26 -5.01 119.74 115.13 2ptc s LYS 41 Ca 0.61 -1.27 0.09 0.00 0.02 0.00 0.00 55.97 55.42 2ptc s LYS 41 Cb -0.64 -2.51 0.10 0.00 -0.52 0.00 0.00 37.83 34.26 2ptc s LYS 41 CO 0.59 -1.02 1.46 0.00 -0.92 0.00 0.00 175.35 175.46 2ptc h ARG 42 N -0.08 0.00 -3.57 1.68 3.08 -1.96 -3.32 114.38 110.21 2ptc h ARG 42 Ca -0.35 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.29 2ptc h ARG 42 Cb 1.28 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.35 2ptc h ARG 42 CO 0.42 0.78 2.57 -1.71 -1.07 0.00 0.00 179.97 180.97 2ptc n ASN 43 N -3.58 4.60 -3.35 7.04 5.15 -1.26 -4.70 115.26 119.16 2ptc n ASN 43 Ca -0.01 -2.37 -0.07 0.00 -0.60 0.00 0.00 54.58 51.54 2ptc n ASN 43 Cb 0.76 -1.10 -0.07 0.00 -0.53 0.00 0.00 39.78 38.84 2ptc n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ptc s ASN 44 N 3.61 -0.06 0.15 1.20 3.84 -1.25 -4.54 114.94 117.90 2ptc s ASN 44 Ca 0.41 0.40 0.09 0.00 0.21 0.00 0.00 52.86 53.97 2ptc s ASN 44 Cb 0.11 1.30 -0.04 0.00 -0.55 0.00 0.00 41.25 42.07 2ptc s ASN 44 CO -0.02 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.45 2ptc s PHE 45 N 2.60 1.86 -0.27 0.43 0.40 0.10 -4.93 117.98 118.18 2ptc s PHE 45 Ca 0.13 -0.44 0.23 0.00 -0.60 0.00 0.00 56.93 56.24 2ptc s PHE 45 Cb -0.15 -0.95 0.04 0.00 0.51 0.00 0.00 43.02 42.47 2ptc s PHE 45 CO -0.16 0.31 1.11 0.87 0.70 0.00 0.00 175.22 178.05 2ptc h LYS 46 N 3.49 0.00 -4.05 0.44 1.57 -1.95 0.18 116.57 116.25 2ptc h LYS 46 Ca -0.44 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 2ptc h LYS 46 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2ptc h LYS 46 CO 0.47 0.00 -0.57 -1.54 -0.57 0.00 0.00 179.45 177.24 2ptc s SER 47 N -5.42 0.33 0.41 0.86 1.04 -1.26 -4.80 113.70 104.86 2ptc s SER 47 Ca 0.00 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 55.69 2ptc s SER 47 Cb 0.09 0.24 0.87 0.00 0.10 0.00 0.00 66.02 67.32 2ptc s SER 47 CO 0.78 -0.61 2.06 0.00 0.98 0.00 0.00 173.24 176.44 2ptc h ALA 48 N 3.16 1.72 -0.41 5.32 0.00 -1.98 -2.49 119.26 124.58 2ptc h ALA 48 Ca -0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2ptc h ALA 48 Cb 1.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ptc h ALA 48 CO 0.60 0.25 -0.01 0.93 0.00 0.00 0.00 179.25 181.02 2ptc h GLU 49 N 0.54 0.74 -0.36 0.00 3.07 -1.99 0.17 114.58 116.75 2ptc h GLU 49 Ca 0.15 -0.24 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2ptc h GLU 49 Cb -0.04 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 2ptc h GLU 49 CO -0.03 0.82 0.18 -0.44 -1.40 0.00 0.00 179.01 178.14 2ptc h ASP 50 N 0.57 0.26 -0.40 1.42 3.32 -1.92 -0.85 116.42 118.82 2ptc h ASP 50 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2ptc h ASP 50 Cb 0.50 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2ptc h ASP 50 CO 0.02 0.19 0.27 0.00 -1.72 0.00 0.00 179.24 178.00 2ptc h MET 52 N 0.55 0.99 -0.70 0.00 2.86 -0.30 0.23 114.93 118.54 2ptc h MET 52 Ca 0.15 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2ptc h MET 52 Cb -0.06 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 2ptc h MET 52 CO -0.03 0.89 0.20 -0.09 1.06 0.00 0.00 176.91 178.94 2ptc h ARG 53 N 0.94 1.11 0.14 1.72 2.43 -0.74 -0.77 114.38 119.21 2ptc h ARG 53 Ca 0.20 -0.25 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 2ptc h ARG 53 Cb 0.37 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2ptc h ARG 53 CO 0.00 0.96 -1.08 1.15 -1.51 0.00 0.00 179.97 179.50 2ptc h THR 54 N 1.04 1.33 0.00 0.20 2.02 -0.99 -3.42 112.91 113.10 2ptc h THR 54 Ca 0.22 -2.51 -0.16 0.00 0.77 0.00 0.00 66.41 64.73 2ptc h THR 54 Cb 0.33 3.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 2ptc h THR 54 CO -0.00 0.72 -1.77 0.00 0.37 0.00 0.00 175.52 174.84 2ptc s GLY 56 N -4.24 0.52 0.00 0.00 0.00 -0.30 -1.25 107.32 102.06 2ptc s GLY 56 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2ptc s GLY 56 CO 0.51 3.58 0.00 0.61 0.00 0.00 0.00 173.10 177.80 2ptc n GLY 57 N 5.64 1.36 0.65 0.20 0.00 -1.26 -4.05 105.19 107.73 2ptc n GLY 57 Ca 0.27 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 2ptc n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32