#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 5.68 -0.23 1.61 1.04 -1.26 -4.85 113.70 115.69 2yqq s SER 2 Ca 0.00 -2.69 -0.09 0.00 0.48 0.00 0.00 55.95 53.65 2yqq s SER 2 Cb 0.00 -1.96 -0.11 0.00 0.10 0.00 0.00 66.02 64.05 2yqq s SER 2 CO 0.00 -0.46 -0.28 -0.24 0.98 0.00 0.00 173.24 173.24 2yqq n SER 3 N 3.80 1.75 0.00 7.02 2.88 -1.26 -5.13 113.62 122.68 2yqq n SER 3 Ca 0.07 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2yqq n SER 3 Cb 0.41 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 1.72 -0.65 3.86 0.46 0.00 -1.26 -5.16 105.19 104.16 2yqq n GLY 4 Ca -0.44 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 2yqq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqq s SER 5 N -4.00 5.20 -0.22 1.61 0.01 -1.26 -5.04 113.70 109.99 2yqq s SER 5 Ca 0.00 1.20 -0.12 0.00 1.31 0.00 0.00 55.95 58.34 2yqq s SER 5 Cb 0.00 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 2yqq s SER 5 CO 0.00 -1.51 0.23 -0.94 0.41 0.00 0.00 173.24 171.43 2yqq s SER 6 N -4.21 6.23 -0.17 2.44 1.04 -1.26 -5.08 113.70 112.70 2yqq s SER 6 Ca 0.59 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.24 2yqq s SER 6 Cb -0.12 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 2yqq s SER 6 CO 0.53 0.04 -0.07 -0.83 0.98 0.00 0.00 173.24 173.89 2yqq s GLY 7 N 0.97 1.63 -0.12 7.32 0.00 -1.26 -5.08 107.32 110.78 2yqq s GLY 7 Ca 0.11 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 2yqq s GLY 7 CO 0.05 0.05 1.19 -2.27 0.00 0.00 0.00 173.10 172.12 2yqq s LEU 8 N 0.70 4.22 0.05 0.66 2.96 -1.26 -5.03 118.68 120.98 2yqq s LEU 8 Ca -0.03 1.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.63 2yqq s LEU 8 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2yqq s LEU 8 CO 0.02 -0.65 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.79 2yqq s LYS 9 N 2.77 2.41 -0.36 1.98 3.01 -1.26 -5.10 119.74 123.20 2yqq s LYS 9 Ca 0.54 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 2yqq s LYS 9 Cb -0.22 -2.44 0.12 0.00 -1.01 0.00 0.00 37.83 34.28 2yqq s LYS 9 CO 0.17 0.56 0.17 0.00 0.51 0.00 0.00 175.35 176.77 2yqq s SER 11 N 1.13 6.06 0.17 0.00 0.01 -1.26 -4.89 113.70 114.92 2yqq s SER 11 Ca 0.14 -1.87 -0.05 0.00 1.31 0.00 0.00 55.95 55.48 2yqq s SER 11 Cb -0.21 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 2yqq s SER 11 CO -0.12 -1.97 0.20 0.42 0.41 0.00 0.00 173.24 172.17 2yqq s THR 12 N 7.02 0.06 0.32 1.44 -4.23 -1.26 -5.18 115.64 113.81 2yqq s THR 12 Ca 0.59 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.49 2yqq s THR 12 Cb 0.01 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2yqq s THR 12 CO 0.06 -0.26 0.08 0.54 -0.54 0.00 0.00 174.62 174.50 2yqq s VAL 13 N -4.04 3.11 0.09 2.29 0.11 -1.26 -5.15 120.40 115.55 2yqq s VAL 13 Ca 0.25 -1.79 0.03 0.00 -2.93 0.00 0.00 61.98 57.53 2yqq s VAL 13 Cb 0.05 -2.92 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 2yqq s VAL 13 CO 0.04 -0.24 -0.08 0.68 -3.33 0.00 0.00 175.10 172.16 2yqq s VAL 14 N -2.41 0.77 -0.13 2.04 -7.23 -1.26 -4.75 120.40 107.43 2yqq s VAL 14 Ca 0.35 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 2yqq s VAL 14 Cb -0.03 -1.35 -0.14 0.00 0.56 0.00 0.00 36.38 35.42 2yqq s VAL 14 CO 0.21 -0.65 0.89 0.00 -0.31 0.00 0.00 175.10 175.24 2yqq n VAL 16 N 1.69 0.21 0.02 0.00 0.24 -1.13 -0.76 118.33 118.60 2yqq n VAL 16 Ca 0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2yqq n VAL 16 Cb 0.02 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.01 0.26 0.01 1.34 2.08 -1.26 -4.88 119.36 116.91 2yqq n ILE 17 Ca 0.02 0.09 0.06 0.00 0.56 0.00 0.00 62.75 63.47 2yqq n ILE 17 Cb 0.30 -1.29 -0.09 0.00 -0.75 0.00 0.00 39.64 37.81 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 -1.87 -2.57 -4.44 0.00 4.77 0.06 -4.98 117.00 107.97 2yqq n LEU 19 Ca -0.02 -0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.56 2yqq n LEU 19 Cb 0.29 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 2yqq n LEU 19 CO 0.24 0.15 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.47 2yqq s GLU 20 N -4.76 1.57 -0.51 3.23 0.41 -1.26 -4.73 118.70 112.65 2yqq s GLU 20 Ca 0.06 -1.80 -0.33 0.00 -0.41 0.00 0.00 54.97 52.50 2yqq s GLU 20 Cb -0.03 -1.20 -0.13 0.00 -1.78 0.00 0.00 34.13 30.99 2yqq s GLU 20 CO 0.23 0.04 2.34 1.17 -0.49 0.00 0.00 175.26 178.55 2yqq n LYS 21 N -0.60 0.82 -2.14 1.61 4.81 -1.26 -1.85 118.16 119.54 2yqq n LYS 21 Ca -0.05 0.16 -0.43 0.00 -0.87 0.00 0.00 58.31 57.12 2yqq n LYS 21 Cb 0.63 -2.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 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 7.21 4.18 0.07 1.64 0.04 -1.26 -4.65 135.00 142.24 2yqq s PRO 22 Ca 1.13 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 64.09 2yqq s PRO 22 Cb -0.81 -3.92 -0.27 0.00 0.04 0.00 0.00 34.50 29.54 2yqq s PRO 22 CO 0.45 -0.83 1.14 0.87 0.04 0.00 0.00 177.00 178.67 2yqq h LYS 23 N 9.18 0.35 -4.82 4.56 1.57 -1.70 -3.46 116.57 122.24 2yqq h LYS 23 Ca -0.35 -0.55 -0.40 0.00 -1.87 0.00 0.00 60.65 57.48 2yqq h LYS 23 Cb 1.15 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 33.52 2yqq h LYS 23 CO 0.96 1.25 -0.55 0.71 -0.57 0.00 0.00 179.45 181.25 2yqq s TYR 24 N -2.74 1.55 0.21 -1.35 1.51 -1.01 -5.06 117.35 110.46 2yqq s TYR 24 Ca -0.05 -1.47 0.06 0.00 -1.01 0.00 0.00 57.07 54.61 2yqq s TYR 24 Cb 0.07 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 2yqq s TYR 24 CO 0.89 -0.66 -0.10 1.03 -1.11 0.00 0.00 175.55 175.61 2yqq s ARG 25 N -3.78 1.30 0.05 -0.62 0.52 -1.26 -1.90 118.95 113.26 2yqq s ARG 25 Ca 0.38 -1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 53.68 2yqq s ARG 25 Cb 0.05 -0.95 -0.06 0.00 0.52 0.00 0.00 34.95 34.50 2yqq s ARG 25 CO 0.19 0.10 1.36 0.00 0.02 0.00 0.00 175.30 176.98 2yqq n PRO 27 N 4.68 0.49 0.00 0.00 -0.04 -1.26 -0.15 135.00 138.71 2yqq n PRO 27 Ca 0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2yqq n PRO 27 Cb 0.44 -1.04 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.36 2.70 0.74 0.55 0.00 -1.26 -4.85 120.51 118.03 2yqq n ALA 28 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2yqq n ALA 28 Cb 0.02 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.76 -2.81 -3.94 0.00 3.00 0.78 -4.95 116.66 106.98 2yqq n ARG 30 Ca 0.03 0.54 -0.29 0.00 -0.01 0.00 0.00 57.85 58.12 2yqq n ARG 30 Cb 0.39 -4.41 -0.04 0.00 0.00 0.00 0.00 32.46 28.40 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 -3.23 5.30 -0.04 1.55 -7.23 -1.26 -4.66 120.40 110.82 2yqq s VAL 31 Ca 0.14 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 2yqq s VAL 31 Cb -0.02 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 2yqq s VAL 31 CO 0.46 0.03 1.49 -2.16 -0.31 0.00 0.00 175.10 174.61 2yqq s PRO 32 N -2.84 4.23 -0.14 4.82 0.04 -1.26 -1.77 135.00 138.07 2yqq s PRO 32 Ca 0.34 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.33 2yqq s PRO 32 Cb -0.12 -3.76 0.05 0.00 0.04 0.00 0.00 34.50 30.71 2yqq s PRO 32 CO 0.28 -0.71 0.34 1.52 0.04 0.00 0.00 177.00 178.47 2yqq s TYR 33 N 3.22 -0.49 -0.00 0.56 -0.85 -0.80 -2.83 117.35 116.16 2yqq s TYR 33 Ca 0.66 1.08 -0.06 0.00 -0.52 0.00 0.00 57.07 58.23 2yqq s TYR 33 Cb -0.31 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 2yqq s TYR 33 CO 0.26 -0.30 0.71 0.00 -1.52 0.00 0.00 175.55 174.69 2yqq s SER 35 N -2.99 4.24 0.24 0.00 0.01 -1.26 -4.14 113.70 109.81 2yqq s SER 35 Ca -0.03 -1.54 -0.07 0.00 1.31 0.00 0.00 55.95 55.62 2yqq s SER 35 Cb 0.00 0.44 0.24 0.00 0.21 0.00 0.00 66.02 66.92 2yqq s SER 35 CO 0.10 -0.89 1.91 0.58 0.41 0.00 0.00 173.24 175.35 2yqq h VAL 36 N 1.23 1.23 -0.15 3.43 2.07 -1.99 -3.07 116.25 119.00 2yqq h VAL 36 Ca -0.42 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2yqq h VAL 36 Cb 1.31 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2yqq h VAL 36 CO 0.71 0.23 -0.15 0.58 0.02 0.00 0.00 177.57 178.95 2yqq h VAL 37 N 1.26 0.00 -1.03 2.57 2.07 -1.99 0.71 116.25 119.84 2yqq h VAL 37 Ca 0.35 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.16 2yqq h VAL 37 Cb -0.12 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.59 2yqq h VAL 37 CO -0.08 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.23 2yqq h PHE 39 N 0.12 0.00 0.51 0.00 3.57 -0.41 -3.24 116.94 117.49 2yqq h PHE 39 Ca 0.52 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.99 2yqq h PHE 39 Cb 1.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.57 2yqq h PHE 39 CO -0.00 0.76 -0.25 0.00 -2.23 0.00 0.00 178.31 176.59 2yqq h ARG 40 N 0.00 -0.67 -0.96 1.11 3.08 0.63 0.33 114.38 117.90 2yqq h ARG 40 Ca -0.01 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.35 2yqq h ARG 40 Cb 1.40 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 31.47 2yqq h ARG 40 CO 0.10 -0.44 0.49 0.87 -1.07 0.00 0.00 179.97 179.92 2yqq h LYS 41 N -0.69 0.40 -0.30 0.04 1.57 -1.65 0.17 116.57 116.11 2yqq h LYS 41 Ca -0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 2yqq h LYS 41 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2yqq h LYS 41 CO 0.11 0.26 -0.16 1.25 -0.57 0.00 0.00 179.45 180.35 2yqq h HIS 42 N 0.41 0.74 -0.95 -1.35 -0.00 -1.54 -3.18 115.15 109.28 2yqq h HIS 42 Ca 0.64 -0.19 0.22 0.00 -0.00 0.00 0.00 60.37 61.05 2yqq h HIS 42 Cb 1.31 -0.17 -0.18 0.00 -0.00 0.00 0.00 27.41 28.38 2yqq h HIS 42 CO -0.07 0.87 -0.11 -0.22 -0.00 0.00 0.00 177.93 178.40 2yqq h LYS 43 N 0.39 0.01 -0.84 5.26 3.11 0.28 1.49 116.57 126.27 2yqq h LYS 43 Ca 0.07 -0.00 0.15 0.00 -2.81 0.00 0.00 60.65 58.06 2yqq h LYS 43 Cb 0.68 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.85 2yqq h LYS 43 CO 0.05 0.01 0.55 1.05 -2.81 0.00 0.00 179.45 178.30 2yqq h GLU 44 N 0.01 0.54 -0.24 1.90 4.11 -1.50 -0.57 114.58 118.83 2yqq h GLU 44 Ca 0.51 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.81 2yqq h GLU 44 Cb 0.92 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2yqq h GLU 44 CO -0.93 0.36 -0.11 0.00 0.07 0.00 0.00 179.01 178.40 2yqq n GLN 45 N -4.53 1.96 -2.41 1.06 10.64 0.44 -4.96 117.38 119.59 2yqq n GLN 45 Ca 0.16 -3.06 -0.39 0.00 -1.83 0.00 0.00 57.00 51.89 2yqq n GLN 45 Cb 0.52 -1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 28.11 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 5.40 5.16 0.00 0.00 -0.87 -1.26 -4.94 114.94 118.43 2yqq s ASN 47 Ca 0.48 -2.00 0.08 0.00 -1.57 0.00 0.00 52.86 49.86 2yqq s ASN 47 Cb -0.06 -1.79 0.46 0.00 -0.02 0.00 0.00 41.25 39.84 2yqq s ASN 47 CO 0.05 -0.50 0.91 -0.81 -2.57 0.00 0.00 177.10 174.19 2yqq n PRO 48 N 4.55 0.49 -2.20 -0.60 -0.04 -1.26 -4.74 135.00 131.20 2yqq n PRO 48 Ca -0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 2yqq n PRO 48 Cb 0.42 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 2yqq n PRO 48 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2yqq s GLU 49 N -2.00 3.75 0.02 0.54 0.41 -1.26 -4.97 118.70 115.20 2yqq s GLU 49 Ca 0.12 1.47 0.04 0.00 -0.41 0.00 0.00 54.97 56.19 2yqq s GLU 49 Cb 0.05 -4.01 -0.02 0.00 -1.78 0.00 0.00 34.13 28.37 2yqq s GLU 49 CO 0.09 -1.34 -0.12 0.99 -0.49 0.00 0.00 175.26 174.40 2yqq s THR 50 N 5.20 0.91 -0.41 3.63 2.01 -1.26 -5.06 115.64 120.66 2yqq s THR 50 Ca 0.68 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.99 2yqq s THR 50 Cb -0.22 -0.82 0.42 0.00 0.01 0.00 0.00 72.50 71.90 2yqq s THR 50 CO 0.29 0.03 1.01 -0.24 -0.69 0.00 0.00 174.62 175.01 2yqq n SER 51 N 2.19 3.20 0.00 3.53 2.88 -1.26 -5.03 113.62 119.14 2yqq n SER 51 Ca -0.17 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 2yqq n SER 51 Cb 0.55 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2yqq n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqq n GLY 52 N -0.24 4.52 3.63 0.46 0.00 -1.26 -5.09 105.19 107.20 2yqq n GLY 52 Ca 0.26 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 3.68 3.79 -0.84 1.61 0.04 -1.26 -4.95 135.00 137.08 2yqq s PRO 53 Ca 0.00 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 2yqq s PRO 53 Cb 0.00 -4.04 0.04 0.00 0.04 0.00 0.00 34.50 30.54 2yqq s PRO 53 CO 0.00 -1.30 1.34 -1.12 0.04 0.00 0.00 177.00 175.95 2yqq s SER 54 N 4.24 6.28 -0.39 6.66 0.01 -1.26 -4.86 113.70 124.38 2yqq s SER 54 Ca 0.71 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2yqq s SER 54 Cb -0.25 -2.56 0.22 0.00 0.21 0.00 0.00 66.02 63.64 2yqq s SER 54 CO 0.29 -1.72 2.15 -0.24 0.41 0.00 0.00 173.24 174.13 2yqq n SER 55 N 9.19 6.65 0.00 2.44 2.88 -1.26 -5.29 113.62 128.23 2yqq n SER 55 Ca 0.13 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2yqq n SER 55 Cb 0.50 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42