#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 0.00 -1.56 0.00 6.02 -1.26 -4.75 117.38 115.83 2rel n GLN 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2rel n GLN 2 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2rel n GLN 2 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2rel n GLU 3 N 0.00 1.09 0.00 -1.09 4.71 -1.26 -4.93 120.64 119.17 2rel n GLU 3 Ca 0.00 0.39 -0.02 0.00 -0.01 0.00 0.00 57.16 57.53 2rel n GLU 3 Cb 0.00 -1.84 -0.01 0.00 -1.01 0.00 0.00 31.44 28.59 2rel n GLU 3 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2rel h PRO 4 N 1.39 -0.10 -7.15 3.49 0.13 -2.12 -3.46 132.00 124.18 2rel h PRO 4 Ca -0.42 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 2rel h PRO 4 Cb 1.36 0.02 -0.38 0.00 0.13 0.00 0.00 31.00 32.13 2rel h PRO 4 CO 0.56 -0.07 -0.89 1.55 -0.23 0.00 0.00 178.00 178.92 2rel n VAL 5 N -4.34 -0.04 -3.16 1.56 3.14 -1.26 -4.84 118.33 109.39 2rel n VAL 5 Ca -0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 2rel n VAL 5 Cb 0.04 -0.54 -0.07 0.00 -1.06 0.00 0.00 33.84 32.21 2rel n VAL 5 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2rel s LYS 6 N -7.20 3.50 -0.49 1.45 2.20 -1.26 -4.96 119.74 112.98 2rel s LYS 6 Ca 0.82 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 56.32 2rel s LYS 6 Cb -0.48 -3.86 0.25 0.00 -1.51 0.00 0.00 37.83 32.23 2rel s LYS 6 CO 1.01 -0.81 0.60 0.41 -0.36 0.00 0.00 175.35 176.21 2rel n GLY 7 N 4.85 3.63 0.00 5.54 0.00 -1.26 -4.92 105.19 113.03 2rel n GLY 7 Ca -0.03 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 1.24 1.27 0.17 1.61 -0.04 -1.26 -4.79 135.00 133.20 2rel n PRO 8 Ca 0.25 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.87 2rel n PRO 8 Cb 0.48 0.00 0.61 0.00 -0.04 0.00 0.00 33.50 34.54 2rel n PRO 8 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2rel h VAL 9 N -0.09 0.12 -2.60 0.52 -1.51 -1.90 -3.38 116.25 107.39 2rel h VAL 9 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.90 2rel h VAL 9 Cb 0.00 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 29.59 2rel h VAL 9 CO 0.00 0.00 1.23 -0.44 -1.23 0.00 0.00 177.57 177.13 2rel s SER 10 N -4.33 6.11 -1.36 4.19 0.01 -1.26 -4.62 113.70 112.44 2rel s SER 10 Ca -0.03 1.64 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 2rel s SER 10 Cb 0.10 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.90 2rel s SER 10 CO 0.35 -1.48 2.42 0.41 0.41 0.00 0.00 173.24 175.36 2rel n THR 11 N 6.85 5.05 -0.12 1.44 -1.04 -1.26 -4.55 114.28 120.65 2rel n THR 11 Ca 0.22 -4.09 -0.26 0.00 -2.04 0.00 0.00 64.05 57.88 2rel n THR 11 Cb 0.45 -2.17 -0.11 0.00 -1.82 0.00 0.00 70.33 66.68 2rel n THR 11 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2rel n LYS 12 N 2.16 0.59 0.00 -2.82 5.02 -1.26 -4.84 118.16 117.01 2rel n LYS 12 Ca 0.63 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2rel n LYS 12 Cb 0.25 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2rel n LYS 12 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rel n PRO 13 N -4.25 0.00 0.00 1.97 -0.04 -1.20 -4.89 135.00 126.59 2rel n PRO 13 Ca -0.45 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2rel n PRO 13 Cb 0.82 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.28 2rel n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rel n GLY 14 N 4.18 0.72 2.28 0.55 0.00 -0.54 -4.21 105.19 108.17 2rel n GLY 14 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2rel n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rel n SER 15 N -1.55 -0.21 -4.73 1.61 2.88 -1.18 -4.71 113.62 105.73 2rel n SER 15 Ca 0.00 -2.84 -0.33 0.00 -1.33 0.00 0.00 58.87 54.37 2rel n SER 15 Cb 0.00 -0.25 0.09 0.00 -0.75 0.00 0.00 64.21 63.30 2rel n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rel n PRO 17 N -2.81 -1.14 -3.73 0.00 -0.04 -1.26 -5.00 135.00 121.01 2rel n PRO 17 Ca 0.12 -1.34 -0.38 0.00 -0.04 0.00 0.00 63.50 61.87 2rel n PRO 17 Cb 0.51 -0.95 -0.12 0.00 -0.04 0.00 0.00 33.50 32.90 2rel n PRO 17 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2rel s ILE 18 N -2.83 4.03 0.00 0.52 -1.16 -1.26 -4.94 121.20 115.55 2rel s ILE 18 Ca 0.50 -0.81 0.00 0.00 -0.51 0.00 0.00 60.65 59.83 2rel s ILE 18 Cb -0.02 -3.15 0.00 0.00 0.61 0.00 0.00 42.46 39.90 2rel s ILE 18 CO 0.35 -0.03 0.00 -0.38 -2.81 0.00 0.00 174.94 172.08 2rel n ILE 19 N 4.87 0.00 0.00 2.00 2.08 -1.26 -5.07 119.36 121.98 2rel n ILE 19 Ca -0.14 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.15 2rel n ILE 19 Cb 0.47 -1.48 -0.01 0.00 -0.75 0.00 0.00 39.64 37.87 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 0.62 -3.83 1.39 -0.00 -1.26 -5.07 117.00 108.84 2rel n LEU 20 Ca 0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 56.01 56.03 2rel n LEU 20 Cb 0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 43.42 43.23 2rel n LEU 20 CO 0.00 -0.22 0.63 -0.51 -0.00 0.00 0.00 177.39 177.29 2rel s ILE 21 N -2.08 0.00 -0.75 1.47 1.10 -1.26 -5.09 121.20 114.59 2rel s ILE 21 Ca -0.04 -0.85 -0.17 0.00 -0.51 0.00 0.00 60.65 59.07 2rel s ILE 21 Cb 0.01 -2.80 0.14 0.00 0.15 0.00 0.00 42.46 39.97 2rel s ILE 21 CO 0.06 0.00 0.83 -0.13 -2.11 0.00 0.00 174.94 173.59 2rel s ARG 22 N -2.39 3.34 0.00 3.50 0.52 -1.26 -4.21 118.95 118.46 2rel s ARG 22 Ca 0.17 -1.77 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2rel s ARG 22 Cb -0.04 -4.48 0.00 0.00 0.52 0.00 0.00 34.95 30.95 2rel s ARG 22 CO 0.09 -1.53 0.00 0.00 0.02 0.00 0.00 175.30 173.88 2rel n ALA 24 N -2.44 0.00 -0.63 0.00 0.00 -1.26 -4.85 120.51 111.33 2rel n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rel n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rel n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rel n MET 25 N 0.00 0.00 -1.92 0.00 2.81 -1.26 -4.64 117.12 112.10 2rel n MET 25 Ca 0.00 0.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.67 2rel n MET 25 Cb 0.00 -0.33 0.14 0.00 -0.71 0.00 0.00 33.22 32.33 2rel n MET 25 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2rel n LEU 26 N -0.03 0.00 -4.06 4.03 4.32 -1.26 -5.03 117.00 114.97 2rel n LEU 26 Ca 0.00 -1.50 -0.34 0.00 -0.02 0.00 0.00 56.01 54.15 2rel n LEU 26 Cb 0.00 -0.72 -0.09 0.00 -1.62 0.00 0.00 43.42 40.98 2rel n LEU 26 CO 0.00 -1.13 0.10 0.20 -1.22 0.00 0.00 177.39 175.34 2rel s ASN 27 N -4.84 5.30 0.22 -1.43 0.01 -1.26 -5.06 114.94 107.88 2rel s ASN 27 Ca 0.61 -3.28 -0.30 0.00 -0.71 0.00 0.00 52.86 49.18 2rel s ASN 27 Cb -0.02 -1.82 -0.08 0.00 0.41 0.00 0.00 41.25 39.73 2rel s ASN 27 CO 0.42 -0.26 1.06 -2.16 -1.51 0.00 0.00 177.10 174.65 2rel s PRO 28 N -0.68 4.67 0.00 -0.60 0.04 -1.26 -5.04 135.00 132.13 2rel s PRO 28 Ca 0.21 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2rel s PRO 28 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2rel s PRO 28 CO -0.07 0.22 0.00 -0.35 0.04 0.00 0.00 177.00 176.83 2rel n PRO 29 N 1.79 0.00 -3.49 0.56 -0.04 -1.26 -4.97 135.00 127.60 2rel n PRO 29 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2rel n PRO 29 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.03 -0.57 -0.17 3.54 0.01 -1.26 -4.81 114.94 110.65 2rel s ASN 30 Ca 0.00 0.34 0.11 0.00 -0.71 0.00 0.00 52.86 52.60 2rel s ASN 30 Cb 0.00 0.52 -0.18 0.00 0.41 0.00 0.00 41.25 42.00 2rel s ASN 30 CO 0.00 -0.72 -0.00 0.54 -1.51 0.00 0.00 177.10 175.41 2rel n ARG 31 N 0.29 1.16 -3.52 -0.60 3.00 -1.26 -5.04 116.66 110.69 2rel n ARG 31 Ca -0.16 0.02 -0.10 0.00 -0.01 0.00 0.00 57.85 57.60 2rel n ARG 31 Cb 0.61 -1.41 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 2rel n ARG 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rel n LEU 33 N 0.12 0.00 0.00 0.00 -0.00 -1.26 -4.79 117.00 111.07 2rel n LEU 33 Ca -0.11 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2rel n LEU 33 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2rel n LEU 33 CO 0.14 0.27 0.00 2.29 -0.00 0.00 0.00 177.39 180.09 2rel n LYS 34 N 0.00 0.00 -2.88 1.47 2.85 -1.26 -4.75 118.16 113.58 2rel n LYS 34 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 2rel n LYS 34 Cb 0.51 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.90 2rel n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2rel s ASP 35 N -1.56 -1.42 -0.28 -5.58 1.01 -1.26 -4.90 116.67 102.67 2rel s ASP 35 Ca 0.00 -1.40 -0.12 0.00 0.71 0.00 0.00 52.55 51.74 2rel s ASP 35 Cb 0.00 1.84 0.11 0.00 1.01 0.00 0.00 42.92 45.88 2rel s ASP 35 CO 0.00 -0.08 0.64 -0.89 0.21 0.00 0.00 175.17 175.05 2rel s THR 36 N 1.17 -0.60 0.00 -1.27 2.01 -1.26 -5.11 115.64 110.57 2rel s THR 36 Ca 0.26 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2rel s THR 36 Cb -0.01 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2rel s THR 36 CO -0.06 0.01 0.00 -0.67 -0.69 0.00 0.00 174.62 173.21 2rel n ASP 37 N 5.02 -1.65 -3.37 3.53 -0.08 -1.26 -4.69 116.55 114.05 2rel n ASP 37 Ca -0.15 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.97 2rel n ASP 37 Cb 0.53 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.02 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rel s PRO 39 N -4.44 4.48 0.21 0.00 0.04 -1.26 -4.26 135.00 129.77 2rel s PRO 39 Ca 0.26 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2rel s PRO 39 Cb -0.06 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2rel s PRO 39 CO 0.80 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.05 2rel n GLY 40 N 3.05 -0.99 0.08 0.56 0.00 -1.26 -4.17 105.19 102.46 2rel n GLY 40 Ca 0.08 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.30 2rel n GLY 40 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2rel n ILE 41 N 0.00 1.49 -2.74 -0.61 3.06 -1.26 -4.62 119.36 114.67 2rel n ILE 41 Ca 0.00 0.60 -0.38 0.00 -2.50 0.00 0.00 62.75 60.47 2rel n ILE 41 Cb 0.00 -1.59 -0.06 0.00 0.54 0.00 0.00 39.64 38.52 2rel n ILE 41 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2rel s LYS 42 N -3.27 4.63 0.36 9.51 1.02 -1.26 -2.01 119.74 128.72 2rel s LYS 42 Ca -0.01 1.40 -0.08 0.00 0.02 0.00 0.00 55.97 57.31 2rel s LYS 42 Cb 0.03 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 2rel s LYS 42 CO 0.11 0.31 0.61 1.63 -0.92 0.00 0.00 175.35 177.09 2rel n LYS 43 N 0.79 0.88 -2.75 1.68 5.02 1.00 -4.14 118.16 120.63 2rel n LYS 43 Ca 0.01 -2.43 -0.42 0.00 -2.02 0.00 0.00 58.31 53.46 2rel n LYS 43 Cb 0.49 2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 38.10 2rel n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rel s GLU 46 N -0.94 3.66 0.00 0.00 2.02 -1.26 -3.18 118.70 119.01 2rel s GLU 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2rel s GLU 46 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 2rel s GLU 46 CO 0.00 0.69 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2rel n GLY 47 N 2.16 5.09 0.46 -1.39 0.00 -1.26 -4.67 105.19 105.58 2rel n GLY 47 Ca -0.18 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2rel n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rel n SER 48 N 0.00 0.00 0.07 1.61 3.41 -1.26 -4.75 113.62 112.69 2rel n SER 48 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2rel n SER 48 Cb 0.00 -0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 2rel n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rel s GLY 50 N -4.38 -0.02 1.02 0.00 0.00 -1.26 -4.59 107.32 98.08 2rel s GLY 50 Ca -0.12 0.51 -0.16 0.00 0.00 0.00 0.00 44.72 44.95 2rel s GLY 50 CO 0.87 2.00 0.00 1.03 0.00 0.00 0.00 173.10 177.01 2rel n MET 51 N 5.33 -1.74 -3.40 2.90 0.00 -1.26 -4.62 117.12 114.33 2rel n MET 51 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 57.70 57.14 2rel n MET 51 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.25 2rel n MET 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2rel n ALA 52 N -4.25 0.00 -2.47 3.04 0.00 -1.19 -4.19 120.51 111.45 2rel n ALA 52 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 2rel n ALA 52 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 2rel n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rel n PHE 54 N 9.80 0.00 -0.24 0.00 3.72 0.19 -4.63 117.46 126.31 2rel n PHE 54 Ca 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 2rel n PHE 54 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2rel n PHE 54 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rel n VAL 55 N 0.00 0.00 0.00 -4.37 0.31 -1.26 -2.72 118.33 110.29 2rel n VAL 55 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2rel n VAL 55 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 2rel n VAL 55 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2rel n PRO 56 N 0.00 0.00 0.00 5.55 -0.04 -0.85 -0.00 135.00 139.66 2rel n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2rel n PRO 56 Cb 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 2rel n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50