#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rel n GLN 2 N 0.00 0.08 -2.54 0.00 0.00 -1.26 -5.07 117.38 108.59 2rel n GLN 2 Ca 0.00 0.27 -0.06 0.00 -0.00 0.00 0.00 57.00 57.22 2rel n GLN 2 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 30.24 29.31 2rel n GLN 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2rel n GLU 3 N -2.68 -4.40 0.00 3.69 2.13 -1.26 -5.03 120.64 113.09 2rel n GLU 3 Ca -0.01 3.34 0.00 0.00 0.66 0.00 0.00 57.16 61.14 2rel n GLU 3 Cb 0.05 -4.91 0.00 0.00 0.27 0.00 0.00 31.44 26.85 2rel n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2rel n PRO 4 N 1.61 1.14 0.00 5.31 -0.04 -1.26 -5.04 135.00 136.72 2rel n PRO 4 Ca -0.40 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2rel n PRO 4 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 2rel n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2rel n VAL 5 N -0.06 0.00 0.00 0.52 0.31 -1.26 -5.07 118.33 112.77 2rel n VAL 5 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 2rel n VAL 5 Cb 0.00 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2rel n VAL 5 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2rel n LYS 6 N -0.36 -3.25 0.00 5.55 4.81 -1.26 -5.12 118.16 118.53 2rel n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2rel n LYS 6 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2rel n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rel n GLY 7 N -0.49 -2.44 2.28 3.14 0.00 -1.26 -4.99 105.19 101.42 2rel n GLY 7 Ca 0.00 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 2rel n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rel n PRO 8 N 0.00 3.49 0.00 1.61 -0.04 -1.26 -4.88 135.00 133.91 2rel n PRO 8 Ca 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2rel n PRO 8 Cb 0.00 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 2rel n PRO 8 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2rel n VAL 9 N 3.23 0.00 -2.71 0.52 0.31 -1.26 -3.82 118.33 114.59 2rel n VAL 9 Ca 0.72 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 65.00 2rel n VAL 9 Cb 0.35 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.32 2rel n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2rel n SER 10 N 5.78 -2.27 -0.07 4.52 7.64 -1.26 -4.99 113.62 122.97 2rel n SER 10 Ca 0.00 -2.16 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 2rel n SER 10 Cb 0.00 1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 64.37 2rel n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2rel n THR 11 N 2.25 0.84 -0.14 0.44 5.66 -1.25 -3.51 114.28 118.56 2rel n THR 11 Ca 0.10 -0.32 -0.05 0.00 -3.05 0.00 0.00 64.05 60.74 2rel n THR 11 Cb 0.63 -1.01 0.02 0.00 -1.55 0.00 0.00 70.33 68.42 2rel n THR 11 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2rel h LYS 12 N 0.00 -0.11 0.05 1.09 1.57 -1.95 -2.74 116.57 114.49 2rel h LYS 12 Ca -0.33 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 2rel h LYS 12 Cb 1.51 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.85 2rel h LYS 12 CO -0.05 -0.07 -0.39 -1.00 -0.57 0.00 0.00 179.45 177.37 2rel h PRO 13 N -0.11 0.18 0.00 3.15 0.13 -1.99 -3.46 132.00 129.90 2rel h PRO 13 Ca 0.22 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2rel h PRO 13 Cb 0.45 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2rel h PRO 13 CO -0.53 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 2rel n GLY 14 N 1.45 -2.53 2.44 1.56 0.00 -1.03 -5.02 105.19 102.06 2rel n GLY 14 Ca -0.11 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 2rel n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rel n SER 15 N -1.27 0.00 -4.21 1.61 3.41 -1.26 -4.85 113.62 107.06 2rel n SER 15 Ca 0.00 -2.50 -0.34 0.00 -0.26 0.00 0.00 58.87 55.76 2rel n SER 15 Cb 0.00 -0.58 0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2rel n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rel n PRO 17 N -0.34 0.85 -1.83 0.00 -0.04 -1.26 -4.97 135.00 127.41 2rel n PRO 17 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2rel n PRO 17 Cb 0.63 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2rel n PRO 17 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2rel n ILE 18 N -0.65 -5.69 0.00 0.52 2.08 -1.26 -5.08 119.36 109.28 2rel n ILE 18 Ca 0.06 2.61 0.00 0.00 0.56 0.00 0.00 62.75 65.99 2rel n ILE 18 Cb 0.03 -3.44 0.00 0.00 -0.75 0.00 0.00 39.64 35.48 2rel n ILE 18 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2rel n ILE 19 N 0.35 0.00 0.00 1.39 2.08 -1.26 -4.96 119.36 116.95 2rel n ILE 19 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2rel n ILE 19 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2rel n ILE 19 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rel n LEU 20 N 0.00 0.00 0.00 1.39 -0.00 -1.26 -5.04 117.00 112.09 2rel n LEU 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2rel n LEU 20 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2rel n LEU 20 CO 0.00 -0.06 0.00 -0.38 -0.00 0.00 0.00 177.39 176.95 2rel n ILE 21 N -1.55 0.00 0.00 1.47 2.08 -1.26 -5.10 119.36 115.00 2rel n ILE 21 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2rel n ILE 21 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 2rel n ILE 21 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2rel n ARG 22 N 0.00 0.00 -2.23 0.38 1.74 -1.23 -4.61 116.66 110.71 2rel n ARG 22 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2rel n ARG 22 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2rel n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rel s ALA 24 N -0.10 2.24 -0.32 0.00 0.00 -1.26 -4.70 121.76 117.62 2rel s ALA 24 Ca -0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 51.96 49.72 2rel s ALA 24 Cb 0.00 -4.62 0.19 0.00 0.00 0.00 0.00 23.12 18.68 2rel s ALA 24 CO 0.02 -4.49 0.84 -1.64 0.00 0.00 0.00 175.76 170.50 2rel s MET 25 N 5.88 0.39 0.17 0.00 -1.94 -1.26 -5.13 119.30 117.41 2rel s MET 25 Ca 0.63 0.15 -0.32 0.00 -1.71 0.00 0.00 55.69 54.43 2rel s MET 25 Cb -0.01 0.11 -0.16 0.00 2.01 0.00 0.00 34.83 36.78 2rel s MET 25 CO 0.06 -0.65 0.98 -0.11 -0.01 0.00 0.00 175.02 175.29 2rel n LEU 26 N 4.80 0.73 0.00 -0.03 0.00 -1.26 -4.36 117.00 116.88 2rel n LEU 26 Ca 0.08 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.23 2rel n LEU 26 Cb 0.58 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.87 2rel n LEU 26 CO -0.09 -1.78 0.00 0.59 0.00 0.00 0.00 177.39 176.11 2rel n ASN 27 N 1.82 0.00 -4.61 1.96 5.03 -1.26 -5.10 115.26 113.11 2rel n ASN 27 Ca 0.16 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.18 2rel n ASN 27 Cb 0.23 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.97 2rel n ASN 27 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2rel s PRO 28 N 0.00 3.78 0.00 3.52 0.04 -1.26 -4.98 135.00 136.09 2rel s PRO 28 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2rel s PRO 28 Cb 0.00 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2rel s PRO 28 CO 0.00 -1.28 0.00 -0.35 0.04 0.00 0.00 177.00 175.41 2rel n PRO 29 N 7.62 0.00 -3.48 0.56 -0.04 -1.26 -4.73 135.00 133.67 2rel n PRO 29 Ca 0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2rel n PRO 29 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 2rel n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rel s ASN 30 N -1.11 -1.07 0.21 3.54 -0.87 -1.26 -4.65 114.94 109.73 2rel s ASN 30 Ca 0.00 1.23 0.14 0.00 -1.57 0.00 0.00 52.86 52.66 2rel s ASN 30 Cb 0.00 2.12 -0.03 0.00 -0.02 0.00 0.00 41.25 43.32 2rel s ASN 30 CO 0.00 -0.20 1.30 0.03 -2.57 0.00 0.00 177.10 175.66 2rel h ARG 31 N 7.91 0.00 0.00 -0.60 3.08 -1.91 -3.48 114.38 119.39 2rel h ARG 31 Ca -0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 2rel h ARG 31 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2rel h ARG 31 CO 0.12 0.57 -0.02 0.00 -1.07 0.00 0.00 179.97 179.57 2rel n LEU 33 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.80 117.00 110.94 2rel n LEU 33 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2rel n LEU 33 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2rel n LEU 33 CO 0.18 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.86 2rel n LYS 34 N 0.00 0.00 -3.24 1.47 4.76 -1.26 -4.47 118.16 115.41 2rel n LYS 34 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2rel n LYS 34 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 2rel n LYS 34 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2rel n ASP 35 N 0.00 -6.39 0.00 4.39 2.03 -1.26 -4.87 116.55 110.45 2rel n ASP 35 Ca 0.00 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2rel n ASP 35 Cb 0.00 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.33 2rel n ASP 35 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2rel n THR 36 N 0.68 0.00 -0.35 5.18 5.66 -1.26 -5.15 114.28 119.04 2rel n THR 36 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2rel n THR 36 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2rel n THR 36 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2rel n ASP 37 N -1.07 2.19 -3.77 1.09 -0.08 -1.26 -5.03 116.55 108.62 2rel n ASP 37 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 2rel n ASP 37 Cb 0.00 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.50 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rel n PRO 39 N -4.31 -1.49 0.00 0.00 -0.04 -1.23 -3.79 135.00 124.14 2rel n PRO 39 Ca -0.10 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 2rel n PRO 39 Cb 0.58 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2rel n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rel n GLY 40 N -3.86 0.51 0.33 0.55 0.00 -1.26 -1.57 105.19 99.88 2rel n GLY 40 Ca 0.17 -0.80 0.28 0.00 0.00 0.00 0.00 46.02 45.67 2rel n GLY 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rel h ILE 41 N 0.00 0.11 -2.47 -0.61 2.10 -1.97 -3.39 117.51 111.28 2rel h ILE 41 Ca 0.00 -0.04 -0.60 0.00 1.08 0.00 0.00 64.86 65.30 2rel h ILE 41 Cb 0.00 -0.02 0.08 0.00 -1.09 0.00 0.00 36.82 35.79 2rel h ILE 41 CO 0.00 0.02 0.55 0.29 -1.08 0.00 0.00 178.15 177.93 2rel n LYS 42 N -5.19 1.83 -3.77 2.19 5.02 -0.61 -4.04 118.16 113.60 2rel n LYS 42 Ca 0.35 0.65 -0.13 0.00 -2.02 0.00 0.00 58.31 57.16 2rel n LYS 42 Cb 1.16 -2.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 2rel n LYS 42 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rel s LYS 43 N -0.31 0.63 0.08 1.97 1.02 -0.63 -3.55 119.74 118.95 2rel s LYS 43 Ca 0.70 -0.13 -0.31 0.00 0.02 0.00 0.00 55.97 56.25 2rel s LYS 43 Cb -0.70 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 36.80 2rel s LYS 43 CO 0.49 -0.16 1.76 0.00 -0.92 0.00 0.00 175.35 176.52 2rel s GLU 46 N -2.00 3.28 0.20 0.00 2.02 -1.26 -3.09 118.70 117.85 2rel s GLU 46 Ca 0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 2rel s GLU 46 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2rel s GLU 46 CO 0.00 -0.16 0.24 0.20 0.02 0.00 0.00 175.26 175.55 2rel s GLY 47 N -4.15 1.05 -0.02 -1.39 0.00 -1.26 -4.77 107.32 96.78 2rel s GLY 47 Ca 0.46 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.86 2rel s GLY 47 CO 0.39 -1.12 1.02 -1.14 0.00 0.00 0.00 173.10 172.25 2rel n SER 48 N -0.28 1.35 0.00 1.64 3.41 -1.26 -4.31 113.62 114.16 2rel n SER 48 Ca -0.01 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2rel n SER 48 Cb 0.64 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2rel n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rel n GLY 50 N 0.00 0.65 3.23 0.00 0.00 -1.26 -4.87 105.19 102.94 2rel n GLY 50 Ca 0.00 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2rel n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rel n MET 51 N 1.23 -1.09 -3.57 1.61 0.00 -1.26 -4.52 117.12 109.52 2rel n MET 51 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 57.70 57.43 2rel n MET 51 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 33.22 31.66 2rel n MET 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2rel s ALA 52 N -2.20 -2.47 -0.61 3.04 0.00 -1.18 -3.77 121.76 114.58 2rel s ALA 52 Ca 0.52 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.26 2rel s ALA 52 Cb -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2rel s ALA 52 CO 0.67 -1.00 1.93 0.00 0.00 0.00 0.00 175.76 177.35 2rel n PHE 54 N 13.18 -3.12 -3.99 0.00 3.01 0.00 -4.71 117.46 121.83 2rel n PHE 54 Ca 0.23 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.38 2rel n PHE 54 Cb 0.52 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.84 2rel n PHE 54 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2rel s VAL 55 N 0.28 1.94 0.00 -4.37 -7.23 -1.26 -1.60 120.40 108.16 2rel s VAL 55 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2rel s VAL 55 Cb 0.00 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2rel s VAL 55 CO 0.00 -0.34 0.00 -0.81 -0.31 0.00 0.00 175.10 173.64 2rel n PRO 56 N 4.45 1.04 0.00 4.82 -0.04 -1.26 -4.70 135.00 139.32 2rel n PRO 56 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2rel n PRO 56 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2rel n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46