#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boe n LEU 14 N 0.00 -1.43 0.00 0.00 4.77 -1.26 -4.39 117.00 114.69 1boe n LEU 14 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1boe n LEU 14 Cb 0.00 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1boe n LEU 14 CO 0.00 -3.62 0.00 0.00 -1.33 0.00 0.00 177.39 172.44 1boe n ALA 15 N -4.96 0.00 -2.72 -1.18 0.00 -1.26 -1.25 120.51 109.14 1boe n ALA 15 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 1boe n ALA 15 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1boe n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1boe s GLU 16 N 2.62 4.20 0.00 0.00 -6.30 -1.26 -4.09 118.70 113.87 1boe s GLU 16 Ca 0.00 -0.09 0.00 0.00 -2.50 0.00 0.00 54.97 52.38 1boe s GLU 16 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 34.13 30.69 1boe s GLU 16 CO 0.00 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1boe n GLY 17 N 3.57 0.49 3.66 -1.50 0.00 -0.82 -4.97 105.19 105.62 1boe n GLY 17 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1boe n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1boe s GLN 18 N -0.84 4.21 -0.02 1.61 -0.44 -1.26 -4.76 119.66 118.16 1boe s GLN 18 Ca 0.00 1.68 -0.34 0.00 -2.50 0.00 0.00 55.36 54.19 1boe s GLN 18 Cb 0.00 -3.79 -0.13 0.00 -1.64 0.00 0.00 33.01 27.45 1boe s GLN 18 CO 0.00 -0.75 1.77 0.43 0.50 0.00 0.00 175.29 177.25 1boe n SER 19 N 6.73 3.23 0.00 6.67 7.64 -1.26 -3.50 113.62 133.13 1boe n SER 19 Ca 0.14 1.01 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1boe n SER 19 Cb 0.45 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1boe n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1boe s GLY 21 N 0.00 -0.45 0.67 0.00 0.00 -1.26 -0.87 107.32 105.40 1boe s GLY 21 Ca 0.00 2.02 0.35 0.00 0.00 0.00 0.00 44.72 47.09 1boe s GLY 21 CO 0.00 1.57 2.07 -0.39 0.00 0.00 0.00 173.10 176.35 1boe h VAL 22 N 3.64 0.00 -0.56 1.40 -1.51 0.21 1.52 116.25 120.94 1boe h VAL 22 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1boe h VAL 22 Cb 1.16 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1boe h VAL 22 CO 0.14 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.26 1boe n TYR 23 N -2.95 0.74 0.00 5.19 4.01 -1.23 -4.87 117.16 118.06 1boe n TYR 23 Ca -0.02 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1boe n TYR 23 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1boe n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1boe n THR 24 N 1.28 0.00 -1.82 -0.72 -1.04 0.52 -5.08 114.28 107.42 1boe n THR 24 Ca 0.20 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.14 1boe n THR 24 Cb 0.52 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.08 1boe n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1boe n GLU 25 N 0.00 0.03 -3.70 -2.82 -0.58 -1.26 -4.96 120.64 107.35 1boe n GLU 25 Ca 0.00 -0.68 -0.37 0.00 -0.42 0.00 0.00 57.16 55.69 1boe n GLU 25 Cb 0.00 -0.28 -0.09 0.00 -0.57 0.00 0.00 31.44 30.49 1boe n GLU 25 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1boe s ARG 26 N -3.47 2.53 1.02 3.49 0.52 -1.26 -4.85 118.95 116.92 1boe s ARG 26 Ca 0.20 -2.39 -0.22 0.00 -0.52 0.00 0.00 55.73 52.79 1boe s ARG 26 Cb -0.01 -3.75 -0.12 0.00 0.52 0.00 0.00 34.95 31.59 1boe s ARG 26 CO 0.14 -1.17 -0.96 0.00 0.02 0.00 0.00 175.30 173.33 1boe n ALA 28 N -3.40 -1.80 -0.52 0.00 0.00 -0.38 -4.47 120.51 109.94 1boe n ALA 28 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1boe n ALA 28 Cb 0.67 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1boe n ALA 28 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1boe n GLN 29 N 0.44 0.00 -0.06 0.00 7.27 -1.26 0.28 117.38 124.05 1boe n GLN 29 Ca 0.08 0.35 0.25 0.00 0.07 0.00 0.00 57.00 57.75 1boe n GLN 29 Cb 0.10 -0.65 0.70 0.00 2.41 0.00 0.00 30.24 32.79 1boe n GLN 29 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1boe h GLY 30 N 0.00 0.00 -2.24 1.69 0.00 -1.99 -3.40 103.07 97.13 1boe h GLY 30 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1boe h GLY 30 CO 0.00 0.00 0.23 1.08 0.00 0.00 0.00 176.54 177.85 1boe s LEU 31 N -7.58 3.81 0.11 3.11 1.43 0.81 -1.07 118.68 119.31 1boe s LEU 31 Ca -0.04 1.37 -0.20 0.00 -1.03 0.00 0.00 54.13 54.23 1boe s LEU 31 Cb 0.17 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.19 1boe s LEU 31 CO 0.61 -0.43 0.49 -0.13 0.23 0.00 0.00 176.35 177.12 1boe s ARG 32 N -3.71 1.12 -0.35 1.70 3.00 -1.22 -4.30 118.95 115.18 1boe s ARG 32 Ca 0.55 -0.51 -0.29 0.00 0.00 0.00 0.00 55.73 55.49 1boe s ARG 32 Cb -0.10 0.50 -0.00 0.00 0.00 0.00 0.00 34.95 35.35 1boe s ARG 32 CO 0.27 -0.45 1.57 0.00 0.00 0.00 0.00 175.30 176.70 1boe s LEU 34 N 5.89 2.39 0.59 0.00 2.01 -0.52 -4.68 118.68 124.35 1boe s LEU 34 Ca 0.69 -0.79 -0.15 0.00 0.01 0.00 0.00 54.13 53.90 1boe s LEU 34 Cb -0.18 -0.33 -0.04 0.00 0.01 0.00 0.00 46.19 45.64 1boe s LEU 34 CO 0.32 -0.24 1.03 -2.16 1.01 0.00 0.00 176.35 176.32 1boe s PRO 35 N -2.65 3.48 0.00 1.29 0.04 -1.26 -2.27 135.00 133.63 1boe s PRO 35 Ca 0.04 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1boe s PRO 35 Cb -0.04 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1boe s PRO 35 CO 0.00 -0.67 0.00 0.54 0.04 0.00 0.00 177.00 176.92 1boe n ARG 36 N -2.16 2.49 0.00 4.56 1.74 -1.26 -4.91 116.66 117.13 1boe n ARG 36 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1boe n ARG 36 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1boe n ARG 36 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1boe n GLN 37 N 0.00 0.00 -1.22 5.56 6.02 -1.26 -4.91 117.38 121.57 1boe n GLN 37 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1boe n GLN 37 Cb 0.00 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.40 1boe n GLN 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1boe n ASP 38 N -0.31 4.32 -3.13 1.08 -0.08 -1.26 -4.62 116.55 112.56 1boe n ASP 38 Ca 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 54.79 49.53 1boe n ASP 38 Cb 0.00 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 42.74 1boe n ASP 38 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1boe n GLU 39 N -1.02 2.23 -1.28 -0.67 4.07 -1.26 -4.73 120.64 117.98 1boe n GLU 39 Ca 0.48 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 57.20 1boe n GLU 39 Cb 1.09 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 32.39 1boe n GLU 39 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1boe n GLU 40 N 0.00 1.11 -3.67 5.31 0.28 -1.26 -4.24 120.64 118.17 1boe n GLU 40 Ca 0.00 -1.82 -0.24 0.00 -0.16 0.00 0.00 57.16 54.94 1boe n GLU 40 Cb 0.00 -3.12 0.01 0.00 1.43 0.00 0.00 31.44 29.76 1boe n GLU 40 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1boe n LYS 41 N 7.61 -1.29 -1.22 3.44 4.76 -1.26 -4.75 118.16 125.44 1boe n LYS 41 Ca 0.47 0.77 -0.36 0.00 -2.87 0.00 0.00 58.31 56.33 1boe n LYS 41 Cb 0.43 -3.24 -0.03 0.00 -1.84 0.00 0.00 35.03 30.34 1boe n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1boe n PRO 42 N -2.98 3.45 0.00 1.97 -0.04 -1.26 -4.18 135.00 131.96 1boe n PRO 42 Ca -0.20 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1boe n PRO 42 Cb 0.63 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1boe n PRO 42 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1boe n LEU 43 N 3.64 1.64 -2.73 1.53 7.99 -1.26 -4.17 117.00 123.65 1boe n LEU 43 Ca 0.73 -1.64 -0.02 0.00 -0.01 0.00 0.00 56.01 55.07 1boe n LEU 43 Cb 0.23 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 43.64 1boe n LEU 43 CO 0.82 0.41 0.38 1.57 -1.51 0.00 0.00 177.39 179.07 1boe n HIS 44 N -0.32 -0.90 -0.02 -1.77 -0.00 -1.26 -4.95 115.22 106.01 1boe n HIS 44 Ca 0.00 -1.93 -0.03 0.00 0.46 0.00 0.00 57.72 56.22 1boe n HIS 44 Cb 0.16 0.90 -0.01 0.00 -0.12 0.00 0.00 29.99 30.92 1boe n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1boe n ALA 45 N -1.09 2.41 1.52 1.57 0.00 -1.26 -4.63 120.51 119.03 1boe n ALA 45 Ca -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1boe n ALA 45 Cb 0.85 0.45 0.35 0.00 0.00 0.00 0.00 19.45 21.09 1boe n ALA 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1boe n LEU 46 N -2.90 0.00 0.00 0.00 -0.00 -1.26 0.10 117.00 112.94 1boe n LEU 46 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1boe n LEU 46 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1boe n LEU 46 CO 0.02 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.59 1boe n LEU 47 N -0.74 0.03 0.08 1.47 4.77 -1.26 0.19 117.00 121.54 1boe n LEU 47 Ca 0.09 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1boe n LEU 47 Cb 0.04 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1boe n LEU 47 CO 0.07 -0.49 0.81 0.45 -1.33 0.00 0.00 177.39 176.89 1boe h HIS 48 N 0.00 -0.12 0.00 -1.77 3.86 -1.85 -3.25 115.15 112.02 1boe h HIS 48 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1boe h HIS 48 Cb 0.00 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1boe h HIS 48 CO 0.00 -0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.18 1boe n GLY 49 N -0.99 0.00 0.23 2.45 0.00 -1.18 -4.69 105.19 101.01 1boe n GLY 49 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1boe n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boe n ARG 50 N 0.00 0.48 0.00 1.61 1.74 0.28 -4.43 116.66 116.34 1boe n ARG 50 Ca 0.00 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.96 1boe n ARG 50 Cb 0.00 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1boe n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1boe n GLY 51 N -0.25 0.92 2.89 -0.13 0.00 0.17 -4.45 105.19 104.33 1boe n GLY 51 Ca 0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1boe n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boe s VAL 52 N 1.26 -0.02 -0.43 1.61 0.11 -0.96 -1.88 120.40 120.10 1boe s VAL 52 Ca 0.00 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 1boe s VAL 52 Cb 0.00 -0.08 0.02 0.00 -1.53 0.00 0.00 36.38 34.79 1boe s VAL 52 CO 0.00 0.02 1.15 0.00 -3.33 0.00 0.00 175.10 172.95 1boe s LEU 54 N 4.34 3.64 0.82 0.00 2.96 -0.90 -1.93 118.68 127.61 1boe s LEU 54 Ca 0.49 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 1boe s LEU 54 Cb -0.09 -2.30 -0.11 0.00 0.50 0.00 0.00 46.19 44.18 1boe s LEU 54 CO 0.28 0.19 -0.28 0.59 -1.32 0.00 0.00 176.35 175.81 1boe n ASN 55 N 0.66 -4.19 -1.85 3.68 4.13 -1.26 -3.38 115.26 113.04 1boe n ASN 55 Ca -0.10 0.39 -0.14 0.00 1.68 0.00 0.00 54.58 56.41 1boe n ASN 55 Cb 0.52 -0.91 0.02 0.00 -1.54 0.00 0.00 39.78 37.87 1boe n ASN 55 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1boe n GLU 56 N 1.24 1.67 0.00 3.52 -0.00 -0.23 -4.45 120.64 122.39 1boe n GLU 56 Ca 0.04 -1.27 0.00 0.00 -0.00 0.00 0.00 57.16 55.92 1boe n GLU 56 Cb 0.52 -1.52 0.00 0.00 -0.00 0.00 0.00 31.44 30.44 1boe n GLU 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1boe n LYS 57 N 0.66 0.00 0.00 3.44 4.76 -1.26 -5.07 118.16 120.69 1boe n LYS 57 Ca 0.25 0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.74 1boe n LYS 57 Cb 0.57 -0.23 0.17 0.00 -1.84 0.00 0.00 35.03 33.70 1boe n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48