#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 5.63 0.31 1.61 1.04 -1.26 -5.14 113.70 115.90 2yqq s SER 2 Ca 0.00 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.26 2yqq s SER 2 Cb 0.00 -1.47 -0.05 0.00 0.10 0.00 0.00 66.02 64.60 2yqq s SER 2 CO 0.00 -0.03 0.11 -0.94 0.98 0.00 0.00 173.24 173.36 2yqq s SER 3 N -3.77 1.83 0.30 7.02 1.04 -1.26 -5.18 113.70 113.69 2yqq s SER 3 Ca 0.33 -1.47 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2yqq s SER 3 Cb -0.08 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2yqq s SER 3 CO 0.25 -0.77 0.23 -0.83 0.98 0.00 0.00 173.24 173.11 2yqq s GLY 4 N -3.42 2.12 0.36 7.32 0.00 -1.26 -5.18 107.32 107.26 2yqq s GLY 4 Ca 0.35 -1.95 0.08 0.00 0.00 0.00 0.00 44.72 43.20 2yqq s GLY 4 CO 0.15 -1.47 0.23 -1.35 0.00 0.00 0.00 173.10 170.66 2yqq s SER 5 N -3.33 4.92 0.03 1.64 1.04 -1.26 -5.15 113.70 111.60 2yqq s SER 5 Ca 0.40 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 2yqq s SER 5 Cb 0.04 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.37 2yqq s SER 5 CO 0.23 -0.40 0.04 -0.94 0.98 0.00 0.00 173.24 173.15 2yqq s SER 6 N -3.95 0.23 -0.26 7.02 1.04 -1.26 -5.07 113.70 111.46 2yqq s SER 6 Ca 0.41 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2yqq s SER 6 Cb -0.03 0.18 0.21 0.00 0.10 0.00 0.00 66.02 66.47 2yqq s SER 6 CO 0.25 -0.44 1.11 0.61 0.98 0.00 0.00 173.24 175.75 2yqq n GLY 7 N 1.00 0.37 3.66 7.32 0.00 -1.26 -5.12 105.19 111.16 2yqq n GLY 7 Ca -0.20 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2yqq n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yqq s LEU 8 N -2.36 4.28 0.37 0.99 2.01 -1.26 -5.00 118.68 117.72 2yqq s LEU 8 Ca 0.08 2.08 0.04 0.00 0.01 0.00 0.00 54.13 56.34 2yqq s LEU 8 Cb 0.22 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.84 2yqq s LEU 8 CO -0.06 -0.87 0.08 -1.59 1.01 0.00 0.00 176.35 174.92 2yqq s LYS 9 N 3.81 1.80 -0.04 1.70 -2.85 -1.26 -5.17 119.74 117.74 2yqq s LYS 9 Ca 0.68 -2.05 -0.03 0.00 -1.00 0.00 0.00 55.97 53.57 2yqq s LYS 9 Cb -0.30 -0.82 0.01 0.00 -2.06 0.00 0.00 37.83 34.66 2yqq s LYS 9 CO 0.25 -0.31 0.09 0.00 0.10 0.00 0.00 175.35 175.48 2yqq s SER 11 N 0.29 4.83 -0.12 0.00 1.04 -1.26 -5.08 113.70 113.39 2yqq s SER 11 Ca -0.02 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 54.84 2yqq s SER 11 Cb -0.03 -1.68 0.04 0.00 0.10 0.00 0.00 66.02 64.44 2yqq s SER 11 CO -0.01 -0.29 0.32 -0.89 0.98 0.00 0.00 173.24 173.35 2yqq s THR 12 N 1.17 -0.01 0.56 2.02 2.01 -1.26 -5.17 115.64 114.97 2yqq s THR 12 Ca -0.03 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 2yqq s THR 12 Cb -0.20 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2yqq s THR 12 CO -0.03 0.01 0.86 0.54 -0.69 0.00 0.00 174.62 175.31 2yqq s VAL 13 N 0.40 3.75 0.14 3.82 0.11 -1.26 -5.11 120.40 122.24 2yqq s VAL 13 Ca -0.02 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2yqq s VAL 13 Cb -0.04 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2yqq s VAL 13 CO -0.02 -0.46 -0.01 0.68 -3.33 0.00 0.00 175.10 171.97 2yqq s VAL 14 N -2.91 0.54 -0.31 2.04 -7.23 -1.26 -4.81 120.40 106.46 2yqq s VAL 14 Ca 0.53 -1.94 -0.44 0.00 -1.81 0.00 0.00 61.98 58.31 2yqq s VAL 14 Cb -0.10 -1.96 -0.19 0.00 0.56 0.00 0.00 36.38 34.68 2yqq s VAL 14 CO 0.44 -0.61 1.46 0.00 -0.31 0.00 0.00 175.10 176.08 2yqq n VAL 16 N 3.31 0.00 0.01 0.00 0.24 -1.14 0.30 118.33 121.05 2yqq n VAL 16 Ca 0.27 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.56 2yqq n VAL 16 Cb 0.01 -0.16 -0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 -0.37 0.60 0.27 1.34 2.08 -1.26 -4.86 119.36 117.16 2yqq n ILE 17 Ca 0.00 0.16 0.04 0.00 0.56 0.00 0.00 62.75 63.50 2yqq n ILE 17 Cb 0.05 -1.57 -0.05 0.00 -0.75 0.00 0.00 39.64 37.31 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 -1.36 -4.43 -4.23 0.00 4.32 0.15 -4.95 117.00 106.50 2yqq n LEU 19 Ca 0.01 -0.57 -0.14 0.00 -0.02 0.00 0.00 56.01 55.29 2yqq n LEU 19 Cb 0.15 -2.78 -0.10 0.00 -1.62 0.00 0.00 43.42 39.07 2yqq n LEU 19 CO 0.17 0.20 -0.41 -1.61 -1.22 0.00 0.00 177.39 174.52 2yqq s GLU 20 N -4.67 1.00 -0.96 3.23 2.02 -1.26 -4.70 118.70 113.37 2yqq s GLU 20 Ca 0.20 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 2yqq s GLU 20 Cb -0.03 -0.58 -0.21 0.00 0.10 0.00 0.00 34.13 33.41 2yqq s GLU 20 CO 0.63 0.07 2.59 1.17 0.02 0.00 0.00 175.26 179.74 2yqq n LYS 21 N -0.04 0.00 -2.10 1.61 4.81 -1.26 -2.90 118.16 118.28 2yqq n LYS 21 Ca -0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.90 2yqq n LYS 21 Cb 0.60 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 34.18 2yqq n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2yqq s PRO 22 N 8.63 3.61 0.14 1.64 0.04 -1.26 -4.66 135.00 143.14 2yqq s PRO 22 Ca 1.31 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 63.76 2yqq s PRO 22 Cb -1.21 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 2yqq s PRO 22 CO 0.47 -1.53 1.39 0.87 0.04 0.00 0.00 177.00 178.24 2yqq h LYS 23 N 11.48 0.62 -4.81 4.56 1.57 -1.72 -3.46 116.57 124.81 2yqq h LYS 23 Ca -0.33 -0.49 -0.39 0.00 -1.87 0.00 0.00 60.65 57.58 2yqq h LYS 23 Cb 1.15 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 2yqq h LYS 23 CO 1.02 1.11 -0.55 0.71 -0.57 0.00 0.00 179.45 181.17 2yqq s TYR 24 N -3.75 1.53 0.20 -1.35 1.51 -1.05 -5.06 117.35 109.38 2yqq s TYR 24 Ca -0.08 -1.47 0.04 0.00 -1.01 0.00 0.00 57.07 54.55 2yqq s TYR 24 Cb 0.10 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 2yqq s TYR 24 CO 0.87 -0.67 -0.05 1.03 -1.11 0.00 0.00 175.55 175.63 2yqq s ARG 25 N -3.79 1.23 -0.03 -0.62 0.52 -1.26 -1.75 118.95 113.26 2yqq s ARG 25 Ca 0.38 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2yqq s ARG 25 Cb 0.05 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 2yqq s ARG 25 CO 0.19 -0.02 1.45 0.00 0.02 0.00 0.00 175.30 176.94 2yqq n PRO 27 N 5.87 0.49 0.01 0.00 -0.04 -1.26 0.17 135.00 140.23 2yqq n PRO 27 Ca 0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2yqq n PRO 27 Cb 0.43 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.50 2.53 0.42 0.55 0.00 -1.26 -4.84 120.51 117.41 2yqq n ALA 28 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2yqq n ALA 28 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.13 -2.35 -4.08 0.00 3.00 0.13 -4.88 116.66 106.34 2yqq n ARG 30 Ca 0.01 0.45 -0.27 0.00 -0.01 0.00 0.00 57.85 58.03 2yqq n ARG 30 Cb 0.47 -4.03 -0.06 0.00 0.00 0.00 0.00 32.46 28.84 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 -3.20 4.46 0.01 1.55 -7.23 -1.26 -4.72 120.40 110.02 2yqq s VAL 31 Ca 0.12 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2yqq s VAL 31 Cb -0.02 -3.25 -0.06 0.00 0.56 0.00 0.00 36.38 33.61 2yqq s VAL 31 CO 0.39 -0.07 1.44 -2.16 -0.31 0.00 0.00 175.10 174.39 2yqq s PRO 32 N -2.99 4.27 -0.20 4.82 0.04 -1.26 -1.46 135.00 138.22 2yqq s PRO 32 Ca 0.30 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 2yqq s PRO 32 Cb -0.10 -3.57 0.08 0.00 0.04 0.00 0.00 34.50 30.94 2yqq s PRO 32 CO 0.23 -0.60 0.44 1.52 0.04 0.00 0.00 177.00 178.63 2yqq s TYR 33 N 2.43 -0.76 0.00 0.56 -0.85 -0.71 -2.89 117.35 115.13 2yqq s TYR 33 Ca 0.65 1.50 -0.01 0.00 -0.52 0.00 0.00 57.07 58.69 2yqq s TYR 33 Cb -0.33 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 2yqq s TYR 33 CO 0.27 -0.44 0.77 0.00 -1.52 0.00 0.00 175.55 174.64 2yqq s SER 35 N -2.32 4.17 0.26 0.00 0.01 -1.26 -4.15 113.70 110.42 2yqq s SER 35 Ca -0.01 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 55.87 2yqq s SER 35 Cb 0.00 -0.06 0.49 0.00 0.21 0.00 0.00 66.02 66.66 2yqq s SER 35 CO 0.02 -0.66 1.80 1.62 0.41 0.00 0.00 173.24 176.43 2yqq h VAL 36 N 1.45 0.85 -0.04 3.43 3.04 -1.98 -2.99 116.25 120.02 2yqq h VAL 36 Ca -0.43 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2yqq h VAL 36 Cb 1.27 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2yqq h VAL 36 CO 0.74 0.14 -0.03 0.58 -1.01 0.00 0.00 177.57 178.00 2yqq h VAL 37 N 0.79 0.00 -1.14 1.51 2.07 -1.99 0.88 116.25 118.37 2yqq h VAL 37 Ca 0.45 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.29 2yqq h VAL 37 Cb 0.50 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2yqq h VAL 37 CO -0.29 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.10 2yqq h PHE 39 N 0.09 0.00 0.64 0.00 3.57 -0.06 -3.23 116.94 117.95 2yqq h PHE 39 Ca 0.57 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.04 2yqq h PHE 39 Cb 2.07 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.81 2yqq h PHE 39 CO -0.00 0.63 -0.31 0.00 -2.23 0.00 0.00 178.31 176.40 2yqq h ARG 40 N 0.00 -0.83 -0.99 1.11 3.08 0.78 0.38 114.38 117.91 2yqq h ARG 40 Ca -0.01 0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.33 2yqq h ARG 40 Cb 1.35 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 31.50 2yqq h ARG 40 CO 0.08 -0.55 0.64 0.87 -1.07 0.00 0.00 179.97 179.93 2yqq h LYS 41 N -0.90 0.47 -0.16 0.04 1.57 -1.65 0.08 116.57 116.01 2yqq h LYS 41 Ca -0.09 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 2yqq h LYS 41 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2yqq h LYS 41 CO 0.14 0.31 -0.36 1.25 -0.57 0.00 0.00 179.45 180.22 2yqq h HIS 42 N 0.48 0.68 -0.91 -1.35 -0.00 -1.53 -3.23 115.15 109.29 2yqq h HIS 42 Ca 0.56 -0.25 0.25 0.00 -0.00 0.00 0.00 60.37 60.93 2yqq h HIS 42 Cb 1.28 -0.12 -0.16 0.00 -0.00 0.00 0.00 27.41 28.41 2yqq h HIS 42 CO -0.00 0.99 0.17 -0.22 -0.00 0.00 0.00 177.93 178.86 2yqq h LYS 43 N 0.17 0.11 -0.88 5.26 1.63 0.18 1.21 116.57 124.26 2yqq h LYS 43 Ca 0.00 -0.01 0.18 0.00 -0.85 0.00 0.00 60.65 59.97 2yqq h LYS 43 Cb 0.97 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.51 2yqq h LYS 43 CO 0.08 0.07 0.57 1.05 -3.45 0.00 0.00 179.45 177.78 2yqq h GLU 44 N 0.12 0.47 0.00 1.90 4.11 -1.54 -1.15 114.58 118.49 2yqq h GLU 44 Ca 0.57 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.97 2yqq h GLU 44 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2yqq h GLU 44 CO -0.75 0.31 -0.32 1.04 0.07 0.00 0.00 179.01 179.36 2yqq n GLN 45 N -4.53 1.44 -1.99 1.06 6.02 0.33 -5.01 117.38 114.71 2yqq n GLN 45 Ca 0.18 -3.01 -0.39 0.00 -0.01 0.00 0.00 57.00 53.77 2yqq n GLN 45 Cb 0.61 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yqq s ASN 47 N 8.08 4.94 0.00 0.00 3.84 -1.26 -4.95 114.94 125.59 2yqq s ASN 47 Ca 0.73 -1.84 0.08 0.00 0.21 0.00 0.00 52.86 52.04 2yqq s ASN 47 Cb -0.15 -1.71 0.46 0.00 -0.55 0.00 0.00 41.25 39.30 2yqq s ASN 47 CO 0.24 -0.39 0.92 -0.81 -2.79 0.00 0.00 177.10 174.26 2yqq n PRO 48 N 4.47 0.49 -0.04 0.43 -0.04 -1.26 -3.45 135.00 135.60 2yqq n PRO 48 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 2yqq n PRO 48 Cb 0.42 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2yqq n PRO 48 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2yqq h GLU 49 N 0.00 0.00 -3.19 0.54 4.39 -1.96 -3.45 114.58 110.92 2yqq h GLU 49 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 2yqq h GLU 49 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 2yqq h GLU 49 CO 0.00 0.00 -0.67 0.99 -1.16 0.00 0.00 179.01 178.17 2yqq s THR 50 N -1.56 2.10 -0.30 1.13 2.01 -1.22 -5.04 115.64 112.76 2yqq s THR 50 Ca -0.04 -3.06 -0.15 0.00 0.31 0.00 0.00 61.69 58.75 2yqq s THR 50 Cb 0.01 -2.46 0.15 0.00 0.01 0.00 0.00 72.50 70.21 2yqq s THR 50 CO 0.06 -0.86 0.94 -0.55 -0.69 0.00 0.00 174.62 173.52 2yqq s SER 51 N -0.10 -0.62 0.43 3.53 0.15 -1.26 -4.93 113.70 110.91 2yqq s SER 51 Ca 0.18 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2yqq s SER 51 Cb -0.24 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2yqq s SER 51 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2yqq n GLY 52 N 4.64 -3.72 3.62 9.45 0.00 -1.26 -4.75 105.19 113.17 2yqq n GLY 52 Ca -0.12 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 -5.02 3.73 -0.28 1.61 0.04 -1.26 -4.99 135.00 128.82 2yqq s PRO 53 Ca 0.00 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 2yqq s PRO 53 Cb 0.00 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.49 2yqq s PRO 53 CO 0.00 -1.38 0.06 -1.12 0.04 0.00 0.00 177.00 174.61 2yqq s SER 54 N 4.43 5.02 -0.08 6.66 0.01 -1.26 -4.96 113.70 123.52 2yqq s SER 54 Ca 0.72 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 2yqq s SER 54 Cb -0.24 -1.86 -0.27 0.00 0.21 0.00 0.00 66.02 63.86 2yqq s SER 54 CO 0.30 -0.17 0.53 0.77 0.41 0.00 0.00 173.24 175.07 2yqq h SER 55 N 8.21 0.42 0.00 2.44 4.64 -2.01 -3.54 113.55 123.70 2yqq h SER 55 Ca -0.32 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.19 2yqq h SER 55 Cb 1.13 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2yqq h SER 55 CO 0.60 1.71 0.00 0.61 -0.87 0.00 0.00 176.83 178.88