#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqq s SER 2 N 0.00 5.64 0.39 1.61 0.15 -1.26 -5.08 113.70 115.15 2yqq s SER 2 Ca 0.00 -0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.20 2yqq s SER 2 Cb 0.00 -1.48 -0.10 0.00 -1.71 0.00 0.00 66.02 62.73 2yqq s SER 2 CO 0.00 -0.02 1.48 -0.24 1.20 0.00 0.00 173.24 175.66 2yqq n SER 3 N -1.04 3.73 0.00 5.45 2.88 -1.26 -4.91 113.62 118.48 2yqq n SER 3 Ca -0.08 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 2yqq n SER 3 Cb 0.57 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2yqq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqq n GLY 4 N 0.47 1.06 3.60 0.46 0.00 -1.26 -5.14 105.19 104.38 2yqq n GLY 4 Ca 0.02 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2yqq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqq n SER 5 N 0.00 -0.32 -3.15 1.61 7.64 -1.26 -5.04 113.62 113.11 2yqq n SER 5 Ca 0.00 0.41 0.05 0.00 1.01 0.00 0.00 58.87 60.34 2yqq n SER 5 Cb 0.00 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 61.78 2yqq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yqq s SER 6 N -2.42 -0.47 -0.34 6.43 1.04 -1.26 -5.12 113.70 111.56 2yqq s SER 6 Ca 0.65 0.28 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 2yqq s SER 6 Cb -0.23 1.39 0.19 0.00 0.10 0.00 0.00 66.02 67.47 2yqq s SER 6 CO 0.60 -0.09 1.01 -0.83 0.98 0.00 0.00 173.24 174.92 2yqq s GLY 7 N 2.95 -1.60 -0.61 7.32 0.00 -1.26 -5.09 107.32 109.03 2yqq s GLY 7 Ca 0.01 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.73 2yqq s GLY 7 CO -0.12 4.23 0.42 -2.27 0.00 0.00 0.00 173.10 175.36 2yqq s LEU 8 N 1.68 3.90 -0.09 0.66 2.96 -1.26 -5.06 118.68 121.47 2yqq s LEU 8 Ca 0.17 -3.52 -0.05 0.00 -0.22 0.00 0.00 54.13 50.51 2yqq s LEU 8 Cb 0.05 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.44 2yqq s LEU 8 CO -0.13 -0.13 0.22 -1.59 -1.32 0.00 0.00 176.35 173.40 2yqq s LYS 9 N -0.89 0.20 -0.13 1.98 -2.85 -1.26 -5.16 119.74 111.63 2yqq s LYS 9 Ca 0.25 0.44 -0.26 0.00 -1.00 0.00 0.00 55.97 55.40 2yqq s LYS 9 Cb -0.06 -0.06 0.06 0.00 -2.06 0.00 0.00 37.83 35.71 2yqq s LYS 9 CO -0.14 -0.13 0.64 0.00 0.10 0.00 0.00 175.35 175.82 2yqq s SER 11 N -0.53 0.36 -0.01 0.00 0.15 -1.26 -5.15 113.70 107.25 2yqq s SER 11 Ca -0.06 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.06 2yqq s SER 11 Cb -0.02 0.92 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 2yqq s SER 11 CO 0.06 -0.27 -0.15 -0.89 1.20 0.00 0.00 173.24 173.18 2yqq s THR 12 N 2.49 1.19 0.11 6.45 2.01 -1.26 -5.15 115.64 121.48 2yqq s THR 12 Ca 0.05 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2yqq s THR 12 Cb -0.14 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2yqq s THR 12 CO -0.12 0.34 -0.16 0.54 -0.69 0.00 0.00 174.62 174.53 2yqq s VAL 13 N -0.31 1.40 0.14 3.82 0.11 -1.26 -5.16 120.40 119.15 2yqq s VAL 13 Ca 0.05 -1.60 0.07 0.00 -2.93 0.00 0.00 61.98 57.57 2yqq s VAL 13 Cb -0.06 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2yqq s VAL 13 CO -0.00 -0.29 -0.15 0.68 -3.33 0.00 0.00 175.10 172.00 2yqq s VAL 14 N -1.73 1.52 -0.06 2.04 -7.23 -1.26 -4.76 120.40 108.92 2yqq s VAL 14 Ca 0.06 -1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 2yqq s VAL 14 Cb -0.07 -1.70 -0.15 0.00 0.56 0.00 0.00 36.38 35.02 2yqq s VAL 14 CO 0.03 -0.42 0.86 0.00 -0.31 0.00 0.00 175.10 175.26 2yqq n VAL 16 N 1.40 0.01 0.06 0.00 0.24 -1.05 -0.74 118.33 118.25 2yqq n VAL 16 Ca 0.16 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2yqq n VAL 16 Cb 0.04 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 2yqq n VAL 16 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2yqq n ILE 17 N -0.11 0.55 0.52 1.34 2.08 -1.26 -4.88 119.36 117.59 2yqq n ILE 17 Ca 0.00 0.18 0.06 0.00 0.56 0.00 0.00 62.75 63.55 2yqq n ILE 17 Cb 0.20 -1.16 -0.08 0.00 -0.75 0.00 0.00 39.64 37.85 2yqq n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yqq n LEU 19 N -1.41 -4.07 -4.38 0.00 4.32 0.08 -4.94 117.00 106.60 2yqq n LEU 19 Ca 0.02 -0.59 -0.20 0.00 -0.02 0.00 0.00 56.01 55.22 2yqq n LEU 19 Cb 0.22 -2.97 -0.10 0.00 -1.62 0.00 0.00 43.42 38.95 2yqq n LEU 19 CO 0.27 0.33 -0.42 -1.61 -1.22 0.00 0.00 177.39 174.73 2yqq s GLU 20 N -5.17 1.43 -0.79 3.23 0.41 -1.26 -4.68 118.70 111.87 2yqq s GLU 20 Ca 0.05 -1.67 -0.33 0.00 -0.41 0.00 0.00 54.97 52.61 2yqq s GLU 20 Cb -0.01 -1.20 -0.18 0.00 -1.78 0.00 0.00 34.13 30.96 2yqq s GLU 20 CO 0.68 0.15 2.53 1.63 -0.49 0.00 0.00 175.26 179.77 2yqq n LYS 21 N -0.47 0.24 -2.14 1.61 5.02 -1.26 -2.67 118.16 118.50 2yqq n LYS 21 Ca -0.07 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 2yqq n LYS 21 Cb 0.61 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2yqq n LYS 21 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2yqq s PRO 22 N 8.21 4.02 0.14 1.97 0.04 -1.26 -4.64 135.00 143.48 2yqq s PRO 22 Ca 1.26 1.85 0.05 0.00 0.04 0.00 0.00 61.00 64.19 2yqq s PRO 22 Cb -1.10 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 29.37 2yqq s PRO 22 CO 0.48 -1.02 1.32 0.87 0.04 0.00 0.00 177.00 178.70 2yqq h LYS 23 N 9.81 0.09 -4.36 4.56 1.57 -1.68 -3.47 116.57 123.08 2yqq h LYS 23 Ca -0.34 -0.12 -0.27 0.00 -1.87 0.00 0.00 60.65 58.05 2yqq h LYS 23 Cb 1.15 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 2yqq h LYS 23 CO 0.98 0.97 -0.38 0.71 -0.57 0.00 0.00 179.45 181.16 2yqq s TYR 24 N -2.93 1.13 0.18 -1.35 1.51 -1.08 -5.06 117.35 109.74 2yqq s TYR 24 Ca -0.01 -1.30 0.04 0.00 -1.01 0.00 0.00 57.07 54.79 2yqq s TYR 24 Cb 0.10 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 2yqq s TYR 24 CO 0.82 -0.90 -0.07 1.03 -1.11 0.00 0.00 175.55 175.33 2yqq s ARG 25 N -3.65 1.17 0.06 -0.62 0.52 -1.26 -1.97 118.95 113.20 2yqq s ARG 25 Ca 0.34 -1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 53.71 2yqq s ARG 25 Cb 0.02 -0.63 -0.07 0.00 0.52 0.00 0.00 34.95 34.79 2yqq s ARG 25 CO 0.17 0.01 1.47 0.00 0.02 0.00 0.00 175.30 176.98 2yqq n PRO 27 N 4.88 0.49 0.01 0.00 -0.04 -1.26 -0.18 135.00 138.90 2yqq n PRO 27 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2yqq n PRO 27 Cb 0.42 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2yqq n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yqq n ALA 28 N -0.46 3.00 0.56 0.55 0.00 -1.26 -4.85 120.51 118.05 2yqq n ALA 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2yqq n ALA 28 Cb 0.01 0.03 0.15 0.00 0.00 0.00 0.00 19.45 19.64 2yqq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yqq n ARG 30 N -2.11 -4.23 -3.92 0.00 3.00 0.74 -4.95 116.66 105.18 2yqq n ARG 30 Ca 0.03 0.63 -0.30 0.00 -0.01 0.00 0.00 57.85 58.21 2yqq n ARG 30 Cb 0.44 -4.95 -0.04 0.00 0.00 0.00 0.00 32.46 27.92 2yqq n ARG 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2yqq s VAL 31 N -3.27 5.37 0.00 1.55 -7.23 -1.26 -4.67 120.40 110.89 2yqq s VAL 31 Ca 0.07 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.47 2yqq s VAL 31 Cb -0.01 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2yqq s VAL 31 CO 0.54 0.07 1.45 -2.16 -0.31 0.00 0.00 175.10 174.69 2yqq s PRO 32 N -2.71 4.26 -0.18 4.82 0.04 -1.26 -1.77 135.00 138.19 2yqq s PRO 32 Ca 0.35 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 2yqq s PRO 32 Cb -0.12 -3.60 0.07 0.00 0.04 0.00 0.00 34.50 30.89 2yqq s PRO 32 CO 0.28 -0.61 0.42 1.52 0.04 0.00 0.00 177.00 178.65 2yqq s TYR 33 N 2.53 -0.69 0.00 0.56 -0.85 -0.83 -2.54 117.35 115.53 2yqq s TYR 33 Ca 0.65 1.40 0.00 0.00 -0.52 0.00 0.00 57.07 58.61 2yqq s TYR 33 Cb -0.32 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.30 2yqq s TYR 33 CO 0.27 -0.40 0.70 0.00 -1.52 0.00 0.00 175.55 174.60 2yqq n SER 35 N -1.46 3.07 -0.27 0.00 7.64 -1.26 -3.98 113.62 117.37 2yqq n SER 35 Ca 0.00 -2.90 -0.04 0.00 1.01 0.00 0.00 58.87 56.94 2yqq n SER 35 Cb 0.00 0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2yqq n SER 35 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2yqq h VAL 36 N 1.08 1.15 -0.36 0.44 3.04 -1.98 -3.03 116.25 116.58 2yqq h VAL 36 Ca -0.36 -0.33 0.03 0.00 -1.01 0.00 0.00 66.70 65.04 2yqq h VAL 36 Cb 1.13 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 2yqq h VAL 36 CO 0.59 0.17 -0.21 0.52 -1.01 0.00 0.00 177.57 177.63 2yqq n VAL 37 N -4.60 -0.24 -0.20 1.51 0.31 -1.26 0.62 118.33 114.46 2yqq n VAL 37 Ca 0.08 1.82 0.16 0.00 -0.01 0.00 0.00 64.34 66.38 2yqq n VAL 37 Cb 0.05 -2.34 0.49 0.00 -0.91 0.00 0.00 33.84 31.13 2yqq n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yqq h PHE 39 N 0.46 0.00 0.60 0.00 3.57 0.24 -3.01 116.94 118.79 2yqq h PHE 39 Ca 0.41 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 2yqq h PHE 39 Cb 0.92 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2yqq h PHE 39 CO -0.00 0.45 -0.43 0.00 -2.23 0.00 0.00 178.31 176.10 2yqq h ARG 40 N 0.00 -0.95 -0.19 1.11 3.08 0.36 0.16 114.38 117.94 2yqq h ARG 40 Ca -0.00 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2yqq h ARG 40 Cb 0.82 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 2yqq h ARG 40 CO 0.06 -0.63 -0.12 0.87 -1.07 0.00 0.00 179.97 179.07 2yqq h LYS 41 N -0.99 -0.11 -0.76 0.04 1.57 -1.59 -1.93 116.57 112.81 2yqq h LYS 41 Ca -0.08 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2yqq h LYS 41 Cb 0.81 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.06 2yqq h LYS 41 CO 0.04 -0.07 0.37 1.25 -0.57 0.00 0.00 179.45 180.47 2yqq h HIS 42 N -0.11 0.66 -0.97 -1.35 -0.00 -1.43 -2.04 115.15 109.91 2yqq h HIS 42 Ca 0.11 0.03 0.20 0.00 -0.00 0.00 0.00 60.37 60.71 2yqq h HIS 42 Cb 0.28 -0.18 -0.18 0.00 -0.00 0.00 0.00 27.41 27.32 2yqq h HIS 42 CO -0.27 0.20 -0.21 -0.22 -0.00 0.00 0.00 177.93 177.43 2yqq h LYS 43 N 0.60 0.00 -0.87 5.26 1.63 0.15 1.43 116.57 124.78 2yqq h LYS 43 Ca 0.39 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.31 2yqq h LYS 43 Cb 0.47 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.04 2yqq h LYS 43 CO -0.31 0.00 0.56 1.05 -3.45 0.00 0.00 179.45 177.30 2yqq h GLU 44 N 0.00 0.73 -0.48 1.90 4.11 -1.39 -0.45 114.58 119.01 2yqq h GLU 44 Ca 0.48 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.68 2yqq h GLU 44 Cb 0.76 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 2yqq h GLU 44 CO -0.98 0.48 0.10 0.00 0.07 0.00 0.00 179.01 178.68 2yqq n GLN 45 N -4.54 2.53 -2.81 1.06 10.64 0.43 -4.92 117.38 119.77 2yqq n GLN 45 Ca 0.16 -3.05 -0.43 0.00 -1.83 0.00 0.00 57.00 51.85 2yqq n GLN 45 Cb 0.39 -1.94 -0.03 0.00 -0.86 0.00 0.00 30.24 27.79 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2yqq s ASN 47 N 3.81 5.29 0.00 0.00 0.01 -1.26 -4.95 114.94 117.84 2yqq s ASN 47 Ca 0.28 -1.72 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 2yqq s ASN 47 Cb -0.11 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2yqq s ASN 47 CO 0.04 -0.48 0.47 -0.81 -1.51 0.00 0.00 177.10 174.81 2yqq n PRO 48 N 4.69 0.49 -0.19 -0.60 -0.04 -1.26 -4.81 135.00 133.28 2yqq n PRO 48 Ca -0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.15 2yqq n PRO 48 Cb 0.42 -1.02 0.23 0.00 -0.04 0.00 0.00 33.50 33.09 2yqq n PRO 48 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2yqq n GLU 49 N -0.44 -4.24 -2.93 0.54 1.02 -1.26 -4.44 120.64 108.90 2yqq n GLU 49 Ca 0.00 -1.14 -0.11 0.00 -0.02 0.00 0.00 57.16 55.88 2yqq n GLU 49 Cb 0.01 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.01 2yqq n GLU 49 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2yqq n THR 50 N -5.20 -4.06 -2.83 2.62 -1.04 -1.26 -5.02 114.28 97.49 2yqq n THR 50 Ca 0.11 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.46 2yqq n THR 50 Cb 0.47 -4.20 -0.03 0.00 -1.82 0.00 0.00 70.33 64.75 2yqq n THR 50 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2yqq s SER 51 N -3.87 6.55 0.00 8.00 1.04 -1.26 -4.83 113.70 119.33 2yqq s SER 51 Ca 0.01 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2yqq s SER 51 Cb -0.00 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2yqq s SER 51 CO 0.48 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2yqq n GLY 52 N -1.27 -1.24 3.62 7.32 0.00 -1.26 -5.04 105.19 107.31 2yqq n GLY 52 Ca 0.03 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 2yqq n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yqq s PRO 53 N 0.00 -0.72 -1.31 1.61 0.04 -1.26 -2.00 135.00 131.35 2yqq s PRO 53 Ca 0.00 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.10 2yqq s PRO 53 Cb 0.00 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.91 2yqq s PRO 53 CO 0.00 -3.42 1.09 0.43 0.04 0.00 0.00 177.00 175.15 2yqq n SER 54 N -4.59 -4.58 -3.78 6.66 7.64 -1.26 -2.10 113.62 111.60 2yqq n SER 54 Ca 0.10 -0.59 -0.26 0.00 1.01 0.00 0.00 58.87 59.13 2yqq n SER 54 Cb 0.59 -4.97 0.04 0.00 -1.01 0.00 0.00 64.21 58.86 2yqq n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yqq n SER 55 N -3.05 -4.11 0.00 6.43 7.64 -1.26 -5.25 113.62 114.02 2yqq n SER 55 Ca -0.11 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2yqq n SER 55 Cb 0.60 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64