#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yui n LYS 11 N 0.00 0.00 -2.78 0.54 5.02 -1.26 -5.13 118.16 114.56 1yui n LYS 11 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1yui n LYS 11 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1yui n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yui n ALA 12 N -3.00 -1.56 -2.51 7.82 0.00 -1.26 -5.10 120.51 114.90 1yui n ALA 12 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 53.44 51.78 1yui n ALA 12 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 1yui n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yui s LYS 13 N 0.76 4.35 -0.95 0.00 -0.14 -1.26 -4.87 119.74 117.64 1yui s LYS 13 Ca 0.31 1.60 -0.24 0.00 -1.36 0.00 0.00 55.97 56.28 1yui s LYS 13 Cb 0.08 -3.57 -0.05 0.00 -1.68 0.00 0.00 37.83 32.61 1yui s LYS 13 CO -0.13 -0.44 1.92 1.03 -0.76 0.00 0.00 175.35 176.98 1yui s ARG 14 N 2.30 2.60 -0.19 1.68 0.52 -1.26 -4.89 118.95 119.70 1yui s ARG 14 Ca 0.54 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 55.04 1yui s ARG 14 Cb -0.23 -5.10 -0.01 0.00 0.52 0.00 0.00 34.95 30.13 1yui s ARG 14 CO 0.20 -3.41 0.83 0.00 0.02 0.00 0.00 175.30 172.94 1yui s ALA 15 N 9.98 3.56 -1.25 2.13 0.00 -1.26 -4.90 121.76 130.03 1yui s ALA 15 Ca 0.69 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.74 1yui s ALA 15 Cb -0.05 -3.25 0.45 0.00 0.00 0.00 0.00 23.12 20.26 1yui s ALA 15 CO 0.01 -0.74 1.29 1.63 0.00 0.00 0.00 175.76 177.95 1yui n LYS 16 N 5.50 2.72 0.14 0.00 5.02 -1.26 -4.24 118.16 126.04 1yui n LYS 16 Ca 0.05 -1.76 -0.23 0.00 -2.02 0.00 0.00 58.31 54.34 1yui n LYS 16 Cb 0.48 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 1yui n LYS 16 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1yui h HIS 17 N 2.51 0.90 -3.10 2.13 3.86 -1.99 -3.47 115.15 116.00 1yui h HIS 17 Ca 0.00 -0.66 -0.58 0.00 -1.16 0.00 0.00 60.37 57.97 1yui h HIS 17 Cb 1.01 -0.04 0.14 0.00 1.06 0.00 0.00 27.41 29.59 1yui h HIS 17 CO 0.49 1.53 0.06 -2.30 0.86 0.00 0.00 177.93 178.57 1yui n PRO 18 N -3.68 1.12 -1.08 2.45 -0.02 -1.26 -4.97 135.00 127.56 1yui n PRO 18 Ca -0.16 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 1yui n PRO 18 Cb 1.09 -1.99 0.22 0.00 -0.02 0.00 0.00 33.50 32.80 1yui n PRO 18 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yui s PRO 19 N -2.13 -0.70 -0.47 0.52 0.04 -1.26 -4.17 135.00 126.82 1yui s PRO 19 Ca 0.66 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1yui s PRO 19 Cb -0.52 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1yui s PRO 19 CO 0.55 -3.41 0.00 0.41 0.04 0.00 0.00 177.00 174.59 1yui n GLY 20 N -0.90 0.46 3.43 0.56 0.00 -1.26 -4.96 105.19 102.52 1yui n GLY 20 Ca 0.10 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 1yui n GLY 20 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yui s THR 21 N -2.22 4.98 0.40 2.61 -1.32 -1.26 -5.01 115.64 113.82 1yui s THR 21 Ca 0.00 -2.06 -0.23 0.00 -1.21 0.00 0.00 61.69 58.19 1yui s THR 21 Cb 0.00 -4.77 -0.10 0.00 -1.51 0.00 0.00 72.50 66.12 1yui s THR 21 CO 0.00 -1.46 0.96 -1.61 -2.21 0.00 0.00 174.62 170.30 1yui s GLU 22 N 1.89 4.31 -1.01 7.08 2.02 -1.26 -5.00 118.70 126.73 1yui s GLU 22 Ca 0.33 1.24 -0.04 0.00 0.02 0.00 0.00 54.97 56.52 1yui s GLU 22 Cb -0.05 -2.41 0.27 0.00 0.10 0.00 0.00 34.13 32.04 1yui s GLU 22 CO -0.07 0.04 1.11 1.63 0.02 0.00 0.00 175.26 177.98 1yui n LYS 23 N -0.22 3.50 -2.09 1.61 5.02 -1.26 -5.05 118.16 119.66 1yui n LYS 23 Ca 0.05 -4.51 -0.41 0.00 -2.02 0.00 0.00 58.31 51.42 1yui n LYS 23 Cb 0.52 -2.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.03 1yui n LYS 23 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yui s PRO 24 N -1.84 4.33 0.00 1.97 0.04 -1.26 -4.89 135.00 133.35 1yui s PRO 24 Ca 0.31 2.23 0.19 0.00 0.04 0.00 0.00 61.00 63.76 1yui s PRO 24 Cb -0.03 -3.09 0.89 0.00 0.04 0.00 0.00 34.50 32.31 1yui s PRO 24 CO -0.03 -0.26 1.58 0.54 0.04 0.00 0.00 177.00 178.87 1yui n ARG 25 N 1.40 0.17 0.00 4.56 1.74 -1.26 -2.70 116.66 120.58 1yui n ARG 25 Ca 0.02 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 1yui n ARG 25 Cb 0.41 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.51 1yui n ARG 25 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1yui n SER 26 N -1.37 0.00 -0.06 0.55 7.64 -1.26 -0.30 113.62 118.83 1yui n SER 26 Ca 0.07 -0.94 -0.08 0.00 1.01 0.00 0.00 58.87 58.93 1yui n SER 26 Cb 0.17 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 1yui n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1yui n ARG 27 N -0.65 0.27 -0.02 1.43 5.12 -1.10 -4.45 116.66 117.26 1yui n ARG 27 Ca 0.04 0.07 0.03 0.00 -1.93 0.00 0.00 57.85 56.06 1yui n ARG 27 Cb 0.02 -1.16 -0.13 0.00 -1.16 0.00 0.00 32.46 30.02 1yui n ARG 27 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1yui n SER 28 N -2.95 0.26 -0.02 0.55 3.41 -1.12 -4.29 113.62 109.46 1yui n SER 28 Ca -0.20 0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.34 1yui n SER 28 Cb 0.70 1.19 -0.08 0.00 -0.26 0.00 0.00 64.21 65.75 1yui n SER 28 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1yui h GLN 29 N 0.00 0.73 -0.40 4.33 4.15 -0.94 -2.91 115.11 120.08 1yui h GLN 29 Ca -0.19 -0.62 0.11 0.00 0.77 0.00 0.00 58.65 58.72 1yui h GLN 29 Cb 1.49 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.30 1yui h GLN 29 CO 0.02 1.23 0.37 0.77 -1.93 0.00 0.00 178.83 179.28 1yui h SER 30 N 0.44 0.00 -3.40 -0.69 0.02 -1.75 -3.40 113.55 104.77 1yui h SER 30 Ca -0.06 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1yui h SER 30 Cb 1.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 1yui h SER 30 CO 0.15 0.00 -0.08 -1.61 -1.14 0.00 0.00 176.83 174.15 1yui s GLU 31 N -4.74 3.91 0.08 3.45 0.41 -1.10 -5.07 118.70 115.63 1yui s GLU 31 Ca -0.05 0.41 0.06 0.00 -0.41 0.00 0.00 54.97 54.99 1yui s GLU 31 Cb 0.17 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 29.71 1yui s GLU 31 CO 0.60 0.39 -0.16 -0.65 -0.49 0.00 0.00 175.26 174.95 1yui s GLN 32 N -2.40 0.94 0.57 1.61 -0.21 -1.26 -4.97 119.66 113.93 1yui s GLN 32 Ca 0.43 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.65 1yui s GLN 32 Cb -0.13 -1.03 -0.13 0.00 1.00 0.00 0.00 33.01 32.72 1yui s GLN 32 CO 0.20 0.24 -0.28 -2.30 -2.12 0.00 0.00 175.29 171.02 1yui n PRO 33 N 1.27 0.00 -3.73 2.91 -0.02 -1.22 -4.08 135.00 130.13 1yui n PRO 33 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.16 1yui n PRO 33 Cb 0.54 -0.89 -0.12 0.00 -0.02 0.00 0.00 33.50 33.01 1yui n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yui s ALA 34 N -1.77 -0.71 0.16 3.55 0.00 0.35 -4.83 121.76 118.51 1yui s ALA 34 Ca 0.46 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.56 1yui s ALA 34 Cb -0.36 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1yui s ALA 34 CO 0.63 -0.19 -0.08 0.99 0.00 0.00 0.00 175.76 177.10 1yui s THR 35 N 0.96 3.30 -0.29 0.00 2.01 -1.26 0.18 115.64 120.54 1yui s THR 35 Ca -0.07 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.23 1yui s THR 35 Cb -0.07 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 1yui s THR 35 CO -0.07 -0.05 0.51 0.00 -0.69 0.00 0.00 174.62 174.32 1yui n PRO 37 N 5.61 0.58 -0.09 0.00 -0.04 -1.26 0.02 135.00 139.83 1yui n PRO 37 Ca -0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 1yui n PRO 37 Cb 0.50 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 1yui n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1yui n ILE 38 N -0.83 1.39 -1.05 0.52 5.41 -1.26 -4.72 119.36 118.81 1yui n ILE 38 Ca 0.09 -0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.93 1yui n ILE 38 Cb 0.04 -2.07 0.17 0.00 -0.71 0.00 0.00 39.64 37.07 1yui n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yui n TYR 40 N -1.22 -0.27 -1.69 0.00 4.01 0.10 -4.88 117.16 113.22 1yui n TYR 40 Ca 0.17 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 1yui n TYR 40 Cb 0.70 -2.34 -0.02 0.00 -0.31 0.00 0.00 39.34 37.37 1yui n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yui n ALA 41 N 0.57 1.30 -2.89 -0.72 0.00 -1.25 -4.40 120.51 113.12 1yui n ALA 41 Ca -0.10 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.29 1yui n ALA 41 Cb 0.42 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 1yui n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yui s VAL 42 N -0.35 4.87 -0.21 0.00 1.01 -1.26 -0.27 120.40 124.18 1yui s VAL 42 Ca 0.64 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1yui s VAL 42 Cb -0.61 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 1yui s VAL 42 CO 0.53 -0.91 0.08 -0.63 0.00 0.00 0.00 175.10 174.17 1yui s ILE 43 N 2.61 4.67 0.00 2.22 -1.09 0.47 -4.96 121.20 125.12 1yui s ILE 43 Ca 0.13 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1yui s ILE 43 Cb -0.21 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1yui s ILE 43 CO 0.10 0.40 0.72 0.03 -1.23 0.00 0.00 174.94 174.95 1yui h ARG 44 N 7.39 -0.10 -6.73 2.79 3.08 -1.90 1.02 114.38 119.92 1yui h ARG 44 Ca -0.37 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.17 1yui h ARG 44 Cb 1.17 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.27 1yui h ARG 44 CO 0.64 -0.07 0.53 -0.65 -1.07 0.00 0.00 179.97 179.35 1yui s GLN 45 N -2.60 4.54 0.25 0.04 -0.21 -1.26 -2.78 119.66 117.64 1yui s GLN 45 Ca -0.02 1.87 -0.02 0.00 0.02 0.00 0.00 55.36 57.21 1yui s GLN 45 Cb 0.00 -3.21 0.30 0.00 1.00 0.00 0.00 33.01 31.10 1yui s GLN 45 CO 0.05 0.02 1.73 0.66 -2.12 0.00 0.00 175.29 175.63 1yui h SER 46 N 4.57 0.77 -0.97 5.90 4.64 -1.85 -2.47 113.55 124.14 1yui h SER 46 Ca -0.46 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 60.71 1yui h SER 46 Cb 1.21 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1yui h SER 46 CO 0.71 0.86 0.63 0.08 -0.87 0.00 0.00 176.83 178.24 1yui h ARG 47 N 0.73 1.14 -0.16 4.77 0.11 -1.95 -0.48 114.38 118.54 1yui h ARG 47 Ca 0.13 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 1yui h ARG 47 Cb 0.51 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1yui h ARG 47 CO 0.03 0.75 -0.34 -0.91 0.10 0.00 0.00 179.97 179.60 1yui h ASN 48 N 1.17 0.35 -0.68 0.08 2.35 -1.85 -2.74 115.58 114.27 1yui h ASN 48 Ca 0.40 -0.13 0.12 0.00 -0.55 0.00 0.00 56.30 56.14 1yui h ASN 48 Cb 0.09 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.28 1yui h ASN 48 CO -0.14 0.67 0.25 0.25 -1.65 0.00 0.00 177.43 176.81 1yui h LEU 49 N 0.29 0.23 -0.22 1.61 5.85 -0.69 0.12 115.31 122.50 1yui h LEU 49 Ca 0.03 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1yui h LEU 49 Cb 0.75 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1yui h LEU 49 CO 0.06 0.11 0.04 -0.09 -0.34 0.00 0.00 178.44 178.23 1yui h ARG 50 N 0.41 0.13 -0.35 1.25 2.43 -1.32 -1.09 114.38 115.84 1yui h ARG 50 Ca 0.36 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1yui h ARG 50 Cb 0.49 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1yui h ARG 50 CO -0.36 0.08 0.23 -0.09 -1.51 0.00 0.00 179.97 178.33 1yui h ARG 51 N 0.13 0.41 -0.11 0.20 2.43 -0.96 -0.40 114.38 116.09 1yui h ARG 51 Ca 0.10 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1yui h ARG 51 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1yui h ARG 51 CO -0.13 0.27 -0.28 1.25 -1.51 0.00 0.00 179.97 179.58 1yui h HIS 52 N 0.42 0.21 -0.32 2.20 2.76 0.42 -2.06 115.15 118.79 1yui h HIS 52 Ca 0.13 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1yui h HIS 52 Cb 0.02 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1yui h HIS 52 CO -0.00 0.46 0.03 -0.07 -1.30 0.00 0.00 177.93 177.05 1yui h LEU 53 N 0.17 0.52 -0.51 0.26 3.38 -0.46 0.05 115.31 118.72 1yui h LEU 53 Ca 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1yui h LEU 53 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1yui h LEU 53 CO 0.04 0.67 0.00 -0.33 0.09 0.00 0.00 178.44 178.91 1yui h GLU 54 N 0.35 0.00 0.01 1.13 5.08 -1.32 0.69 114.58 120.53 1yui h GLU 54 Ca 0.09 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.06 1yui h GLU 54 Cb 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1yui h GLU 54 CO 0.01 0.00 -2.45 1.28 -1.00 0.00 0.00 179.01 176.85 1yui n LEU 55 N -2.50 2.89 -0.99 1.33 4.77 -0.80 -2.00 117.00 119.71 1yui n LEU 55 Ca 0.03 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1yui n LEU 55 Cb 0.35 -0.92 0.24 0.00 -2.33 0.00 0.00 43.42 40.75 1yui n LEU 55 CO 0.26 0.91 0.70 0.54 -1.33 0.00 0.00 177.39 178.47 1yui n ARG 56 N -3.34 2.82 0.00 3.23 5.12 -0.02 -4.59 116.66 119.88 1yui n ARG 56 Ca -0.46 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.11 1yui n ARG 56 Cb 0.99 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 1yui n ARG 56 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1yui n HIS 57 N 1.05 -1.08 1.30 -1.55 8.25 -0.79 -4.88 115.22 117.53 1yui n HIS 57 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1yui n HIS 57 Cb 0.52 0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1yui n HIS 57 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yui n PHE 58 N -2.02 0.00 1.35 4.41 3.01 0.24 -3.57 117.46 120.87 1yui n PHE 58 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.51 1yui n PHE 58 Cb 0.00 -0.04 0.28 0.00 -0.01 0.00 0.00 39.48 39.71 1yui n PHE 58 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yui n ALA 59 N -0.22 2.23 -2.00 4.37 0.00 -0.85 -4.74 120.51 119.30 1yui n ALA 59 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1yui n ALA 59 Cb 0.10 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1yui n ALA 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yui s LYS 60 N -2.00 4.09 0.11 0.00 1.02 -1.23 -4.97 119.74 116.76 1yui s LYS 60 Ca 0.14 0.86 -0.32 0.00 0.02 0.00 0.00 55.97 56.67 1yui s LYS 60 Cb 0.07 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.94 1yui s LYS 60 CO 0.11 0.07 1.78 -0.35 -0.92 0.00 0.00 175.35 176.04 1yui n PRO 61 N -0.52 2.57 0.00 -1.68 -0.04 -1.26 -4.96 135.00 129.12 1yui n PRO 61 Ca 0.05 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1yui n PRO 61 Cb 0.54 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1yui n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yui n GLY 62 N 4.07 -1.70 0.00 0.55 0.00 -1.26 -5.21 105.19 101.64 1yui n GLY 62 Ca 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1yui n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70