#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rel s GLN 2 N 0.00 1.81 -0.36 0.00 -2.07 -1.26 -5.12 119.66 112.66 2rel s GLN 2 Ca 0.00 -1.19 -0.03 0.00 -1.82 0.00 0.00 55.36 52.32 2rel s GLN 2 Cb 0.00 0.56 0.24 0.00 -1.09 0.00 0.00 33.01 32.72 2rel s GLN 2 CO 0.00 -0.81 1.12 -1.91 -1.32 0.00 0.00 175.29 172.37 2rel n GLU 3 N -0.46 0.19 0.00 9.60 2.13 -1.26 -5.10 120.64 125.74 2rel n GLU 3 Ca -0.04 -0.90 0.00 0.00 0.66 0.00 0.00 57.16 56.88 2rel n GLU 3 Cb 0.60 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 32.07 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 2.10 0.00 0.00 5.31 -0.04 -1.26 -5.09 135.00 136.02 2rel n PRO 4 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2rel n PRO 4 Cb 0.67 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 0.00 0.00 -2.70 0.52 0.31 -1.26 -5.08 118.33 110.12 2rel n VAL 5 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2rel n VAL 5 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.00 0.62 -4.93 5.55 4.81 -1.26 -4.76 118.16 118.19 2rel n LYS 6 Ca 0.00 -1.35 -0.32 0.00 -0.87 0.00 0.00 58.31 55.77 2rel n LYS 6 Cb 0.00 -0.54 -0.14 0.00 0.02 0.00 0.00 35.03 34.37 2rel n LYS 6 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2rel s GLY 7 N -0.75 1.48 0.00 3.14 0.00 -1.26 -5.01 107.32 104.92 2rel s GLY 7 Ca 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2rel s GLY 7 CO -0.11 -0.89 0.03 -1.55 0.00 0.00 0.00 173.10 170.58 2rel n PRO 8 N 2.14 0.00 -2.82 2.90 -0.04 -1.26 -4.20 135.00 131.72 2rel n PRO 8 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 2rel n PRO 8 Cb 0.52 -0.34 -0.03 0.00 -0.04 0.00 0.00 33.50 33.61 2rel n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2rel n VAL 9 N -0.29 3.29 0.00 0.52 0.24 -1.26 -4.84 118.33 116.00 2rel n VAL 9 Ca 0.00 -5.51 0.00 0.00 -2.04 0.00 0.00 64.34 56.79 2rel n VAL 9 Cb 0.00 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 2rel n VAL 9 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2rel n SER 10 N -0.27 0.00 0.00 -1.34 7.64 -1.26 -5.05 113.62 113.33 2rel n SER 10 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2rel n SER 10 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2rel n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2rel n THR 11 N -0.76 0.00 -2.94 0.44 -1.04 -1.26 -5.00 114.28 103.72 2rel n THR 11 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2rel n THR 11 Cb 0.00 -0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 1.94 -0.35 -2.82 5.02 -1.26 -5.09 118.16 115.60 2rel n LYS 12 Ca 0.00 -3.92 -0.06 0.00 -2.02 0.00 0.00 58.31 52.32 2rel n LYS 12 Cb 0.00 -1.84 0.04 0.00 -0.02 0.00 0.00 35.03 33.21 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 -0.02 -0.50 -1.25 1.97 -0.04 -1.26 -4.94 135.00 128.96 2rel n PRO 13 Ca 0.26 -0.40 0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2rel n PRO 13 Cb 0.61 -0.29 -0.06 0.00 -0.04 0.00 0.00 33.50 33.73 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 2.80 -2.09 3.06 0.55 0.00 -1.26 -4.89 105.19 103.35 2rel n GLY 14 Ca 0.03 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 2rel n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rel s SER 15 N -6.32 1.67 0.82 1.61 0.15 -1.26 -4.89 113.70 105.48 2rel s SER 15 Ca 0.00 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 2rel s SER 15 Cb 0.00 -0.48 0.09 0.00 -1.71 0.00 0.00 66.02 63.92 2rel s SER 15 CO 0.00 0.10 1.11 0.00 1.20 0.00 0.00 173.24 175.65 2rel n PRO 17 N -3.76 1.34 -2.99 0.00 -0.04 -1.26 -4.87 135.00 123.42 2rel n PRO 17 Ca 0.10 -0.36 -0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2rel n PRO 17 Cb 0.53 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2rel n PRO 17 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2rel n ILE 18 N 1.88 -1.21 -4.47 0.52 0.13 -1.26 -5.01 119.36 109.93 2rel n ILE 18 Ca 0.16 0.07 -0.24 0.00 -1.10 0.00 0.00 62.75 61.64 2rel n ILE 18 Cb 0.64 -2.52 -0.09 0.00 -0.84 0.00 0.00 39.64 36.83 2rel n ILE 18 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 2rel s ILE 19 N -0.02 0.70 0.14 9.51 1.09 -1.26 -5.01 121.20 126.35 2rel s ILE 19 Ca -0.01 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.54 2rel s ILE 19 Cb 0.00 -2.47 0.00 0.00 -1.06 0.00 0.00 42.46 38.93 2rel s ILE 19 CO 0.02 0.00 0.00 -0.11 -0.10 0.00 0.00 174.94 174.75 2rel n LEU 20 N -0.81 -0.07 -3.88 2.97 -0.00 -1.26 -4.73 117.00 109.23 2rel n LEU 20 Ca -0.04 0.23 -0.11 0.00 -0.00 0.00 0.00 56.01 56.09 2rel n LEU 20 Cb 0.65 0.19 -0.11 0.00 -0.00 0.00 0.00 43.42 44.15 2rel n LEU 20 CO 0.37 -0.64 1.44 -0.38 -0.00 0.00 0.00 177.39 178.18 2rel n ILE 21 N -2.97 0.00 1.89 1.96 2.08 -1.26 -4.61 119.36 116.46 2rel n ILE 21 Ca 0.00 -0.45 0.12 0.00 0.56 0.00 0.00 62.75 62.98 2rel n ILE 21 Cb 0.00 0.00 0.68 0.00 -0.75 0.00 0.00 39.64 39.57 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 4.57 1.11 -4.16 0.38 1.74 -1.25 0.86 116.66 119.92 2rel n ARG 22 Ca 0.33 -0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 2rel n ARG 22 Cb 0.28 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 2rel n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rel n ALA 24 N -4.40 0.53 -2.00 0.00 0.00 -1.26 -4.59 120.51 108.79 2rel n ALA 24 Ca -0.27 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 51.88 2rel n ALA 24 Cb 0.62 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 7.81 0.00 -0.69 0.00 2.81 -1.26 -5.09 117.12 120.70 2rel n MET 25 Ca 0.51 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 56.37 2rel n MET 25 Cb 0.36 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.84 2rel n MET 25 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2rel n LEU 26 N 0.00 -0.47 0.00 4.03 -0.00 -1.26 -5.06 117.00 114.24 2rel n LEU 26 Ca 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.77 2rel n LEU 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2rel n LEU 26 CO 0.00 1.12 0.00 0.59 -0.00 0.00 0.00 177.39 179.10 2rel n ASN 27 N 0.00 0.00 -4.84 1.45 3.02 -1.26 -5.17 115.26 108.46 2rel n ASN 27 Ca -0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.13 2rel n ASN 27 Cb 0.51 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.79 2rel n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2rel s PRO 28 N 0.00 1.74 0.95 3.52 0.04 -1.26 -5.07 135.00 134.91 2rel s PRO 28 Ca 0.00 0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.01 2rel s PRO 28 Cb 0.00 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2rel s PRO 28 CO 0.00 -1.75 1.25 -1.25 0.04 0.00 0.00 177.00 175.28 2rel s PRO 29 N -5.54 0.79 -0.33 0.56 0.04 -1.26 -4.91 135.00 124.34 2rel s PRO 29 Ca 0.63 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2rel s PRO 29 Cb -0.11 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.72 2rel s PRO 29 CO 0.50 -2.35 0.28 -0.80 0.04 0.00 0.00 177.00 174.67 2rel s ASN 30 N -4.61 2.10 0.02 6.66 0.01 -1.26 -3.95 114.94 113.90 2rel s ASN 30 Ca 0.70 -1.51 0.25 0.00 -0.71 0.00 0.00 52.86 51.59 2rel s ASN 30 Cb -0.07 0.17 0.49 0.00 0.41 0.00 0.00 41.25 42.24 2rel s ASN 30 CO 0.52 -0.33 1.40 -1.14 -1.51 0.00 0.00 177.10 176.05 2rel n ARG 31 N 4.59 0.05 -3.94 -0.60 3.00 -0.24 -4.95 116.66 114.58 2rel n ARG 31 Ca 0.06 0.01 -0.09 0.00 -0.00 0.00 0.00 57.85 57.83 2rel n ARG 31 Cb 0.43 -1.53 -0.05 0.00 0.00 0.00 0.00 32.46 31.31 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 -0.38 0.00 0.00 0.00 -0.00 -1.26 -4.72 117.00 110.64 2rel n LEU 33 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 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 0.20 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.88 2rel n LYS 34 N 0.00 0.00 -4.30 1.47 5.02 -1.26 -4.84 118.16 114.25 2rel n LYS 34 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2rel n LYS 34 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2rel n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rel n ASP 35 N 11.37 -2.22 -3.65 4.39 8.00 -1.26 -1.79 116.55 131.39 2rel n ASP 35 Ca 0.00 -1.10 -0.22 0.00 0.71 0.00 0.00 54.79 54.18 2rel n ASP 35 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.75 2rel n ASP 35 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2rel n THR 36 N -4.31 -4.48 -3.96 -3.53 -1.04 -1.26 -4.97 114.28 90.73 2rel n THR 36 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2rel n THR 36 Cb 0.52 -3.62 0.00 0.00 -1.82 0.00 0.00 70.33 65.41 2rel n THR 36 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2rel n ASP 37 N -2.28 0.08 -2.62 8.00 8.00 -0.74 -5.02 116.55 121.96 2rel n ASP 37 Ca -0.25 -0.96 -0.04 0.00 0.71 0.00 0.00 54.79 54.25 2rel n ASP 37 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rel n PRO 39 N 0.09 0.29 0.00 0.00 -0.04 -1.26 -4.43 135.00 129.64 2rel n PRO 39 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2rel n PRO 39 Cb 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 4.27 3.28 2.57 0.55 0.00 -1.26 -3.11 105.19 111.49 2rel n GLY 40 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 2.28 -3.27 -0.61 3.06 -1.26 -5.05 119.36 114.51 2rel n ILE 41 Ca 0.00 -5.23 0.00 0.00 -2.50 0.00 0.00 62.75 55.02 2rel n ILE 41 Cb 0.00 -1.77 0.00 0.00 0.54 0.00 0.00 39.64 38.41 2rel n ILE 41 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2rel n LYS 42 N 0.48 3.34 0.00 9.51 4.76 -1.18 -4.20 118.16 130.88 2rel n LYS 42 Ca 0.29 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2rel n LYS 42 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 2rel n LYS 42 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2rel n LYS 43 N 0.00 0.00 -1.53 1.97 0.00 0.28 -4.66 118.16 114.23 2rel n LYS 43 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 2rel n LYS 43 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2rel n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rel s GLU 46 N -0.34 2.01 -0.88 0.00 2.12 -1.26 -2.05 118.70 118.29 2rel s GLU 46 Ca 0.00 -1.55 -0.14 0.00 0.36 0.00 0.00 54.97 53.64 2rel s GLU 46 Cb 0.00 -3.10 0.21 0.00 0.26 0.00 0.00 34.13 31.50 2rel s GLU 46 CO 0.00 -0.74 0.88 0.20 -0.54 0.00 0.00 175.26 175.06 2rel s GLY 47 N 1.13 2.59 0.00 -1.50 0.00 -1.13 -4.70 107.32 103.71 2rel s GLY 47 Ca -0.00 -3.28 0.00 0.00 0.00 0.00 0.00 44.72 41.43 2rel s GLY 47 CO -0.05 1.42 0.00 -1.14 0.00 0.00 0.00 173.10 173.32 2rel n SER 48 N 4.33 0.00 -4.57 1.64 3.41 -1.26 -4.36 113.62 112.81 2rel n SER 48 Ca 0.17 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.39 2rel n SER 48 Cb 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 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 5.07 -2.86 3.94 0.00 0.00 -1.26 -4.69 105.19 105.39 2rel n GLY 50 Ca -0.14 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 2rel n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rel s MET 51 N -5.30 2.50 -0.06 1.61 1.00 -1.25 -2.84 119.30 114.95 2rel s MET 51 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 55.69 55.08 2rel s MET 51 Cb 0.00 -2.28 0.11 0.00 0.00 0.00 0.00 34.83 32.66 2rel s MET 51 CO 0.00 -0.94 0.96 0.00 0.00 0.00 0.00 175.02 175.04 2rel s ALA 52 N -3.04 -1.88 -0.70 3.03 0.00 -0.87 -1.07 121.76 117.22 2rel s ALA 52 Ca 0.57 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 53.47 2rel s ALA 52 Cb -0.11 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 2rel s ALA 52 CO 0.43 -0.62 2.22 0.00 0.00 0.00 0.00 175.76 177.79 2rel s PHE 54 N 12.13 1.37 -0.19 0.00 0.08 -0.49 -4.51 117.98 126.37 2rel s PHE 54 Ca 0.85 -0.45 -0.09 0.00 0.12 0.00 0.00 56.93 57.36 2rel s PHE 54 Cb -0.13 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 2rel s PHE 54 CO 0.13 -1.64 0.11 0.54 -0.10 0.00 0.00 175.22 174.26 2rel s VAL 55 N -3.04 5.22 0.60 -0.44 0.11 -1.26 0.10 120.40 121.69 2rel s VAL 55 Ca 0.66 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.70 2rel s VAL 55 Cb -0.05 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 2rel s VAL 55 CO 0.43 0.45 1.03 -2.16 -3.33 0.00 0.00 175.10 171.52 2rel s PRO 56 N 0.32 3.53 0.00 1.54 0.04 -1.26 -4.33 135.00 134.84 2rel s PRO 56 Ca 0.07 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2rel s PRO 56 Cb -0.11 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2rel s PRO 56 CO -0.01 -0.62 0.16 0.00 0.04 0.00 0.00 177.00 176.56