#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqq h SER 2 N 0.00 -0.01 -2.47 1.61 0.87 -2.13 -3.38 113.55 108.04 2yqq h SER 2 Ca 0.00 0.22 -0.54 0.00 -1.23 0.00 0.00 61.79 60.24 2yqq h SER 2 Cb 0.00 0.30 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2yqq h SER 2 CO 0.00 -0.23 1.18 -0.55 -0.53 0.00 0.00 176.83 176.70 2yqq s SER 3 N -4.99 6.50 0.00 6.23 0.15 -1.26 -4.75 113.70 115.58 2yqq s SER 3 Ca -0.12 2.41 0.00 0.00 0.70 0.00 0.00 55.95 58.95 2yqq s SER 3 Cb 0.28 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2yqq s SER 3 CO 0.78 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2yqq n GLY 4 N 4.42 1.06 3.43 9.45 0.00 -1.26 -5.17 105.19 117.12 2yqq n GLY 4 Ca 0.19 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2yqq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqq s SER 5 N 0.00 3.54 0.87 1.61 1.04 -1.26 -5.14 113.70 114.36 2yqq s SER 5 Ca 0.00 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 2yqq s SER 5 Cb 0.00 -0.36 0.12 0.00 0.10 0.00 0.00 66.02 65.88 2yqq s SER 5 CO 0.00 0.19 1.17 -0.94 0.98 0.00 0.00 173.24 174.64 2yqq s SER 6 N -2.01 3.89 -0.26 7.02 1.04 -1.26 -5.06 113.70 117.06 2yqq s SER 6 Ca 0.15 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.44 2yqq s SER 6 Cb -0.10 -1.33 0.06 0.00 0.10 0.00 0.00 66.02 64.75 2yqq s SER 6 CO 0.07 -2.30 -0.10 -0.83 0.98 0.00 0.00 173.24 171.06 2yqq s GLY 7 N -4.33 1.64 -1.14 7.32 0.00 -1.26 -5.05 107.32 104.51 2yqq s GLY 7 Ca 0.64 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 43.39 2yqq s GLY 7 CO 0.51 0.64 1.55 -2.27 0.00 0.00 0.00 173.10 173.53 2yqq s LEU 8 N 1.11 3.83 0.76 0.66 2.96 -1.26 -4.99 118.68 121.76 2yqq s LEU 8 Ca -0.08 -1.99 -0.11 0.00 -0.22 0.00 0.00 54.13 51.74 2yqq s LEU 8 Cb -0.20 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 43.99 2yqq s LEU 8 CO -0.05 -1.30 1.08 -0.54 -1.32 0.00 0.00 176.35 174.22 2yqq s LYS 9 N 4.33 2.37 0.08 1.98 -0.14 -1.26 -5.06 119.74 122.04 2yqq s LYS 9 Ca 0.48 1.11 -0.27 0.00 -1.36 0.00 0.00 55.97 55.93 2yqq s LYS 9 Cb 0.01 -1.91 0.08 0.00 -1.68 0.00 0.00 37.83 34.33 2yqq s LYS 9 CO -0.02 -1.54 1.03 0.00 -0.76 0.00 0.00 175.35 174.06 2yqq s SER 11 N -2.85 -0.30 -0.00 0.00 1.04 -1.26 -5.17 113.70 105.16 2yqq s SER 11 Ca 0.11 0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.98 2yqq s SER 11 Cb -0.00 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 2yqq s SER 11 CO -0.01 -0.30 -0.03 0.28 0.98 0.00 0.00 173.24 174.17 2yqq s THR 12 N -0.59 0.20 0.46 2.02 -1.32 -1.26 -5.15 115.64 110.00 2yqq s THR 12 Ca -0.07 -0.14 -0.12 0.00 -1.21 0.00 0.00 61.69 60.15 2yqq s THR 12 Cb -0.04 -0.18 -0.06 0.00 -1.51 0.00 0.00 72.50 70.71 2yqq s THR 12 CO 0.03 0.04 0.85 0.54 -2.21 0.00 0.00 174.62 173.86 2yqq s VAL 13 N -0.11 4.72 0.09 5.08 0.11 -1.26 -5.09 120.40 123.93 2yqq s VAL 13 Ca 0.00 0.76 0.04 0.00 -2.93 0.00 0.00 61.98 59.86 2yqq s VAL 13 Cb -0.01 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2yqq s VAL 13 CO -0.00 -0.66 -0.12 0.68 -3.33 0.00 0.00 175.10 171.68 2yqq s VAL 14 N -2.55 1.00 -0.22 2.04 -7.23 -1.26 -4.78 120.40 107.41 2yqq s VAL 14 Ca 0.53 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2yqq s VAL 14 Cb -0.10 -1.20 -0.13 0.00 0.56 0.00 0.00 36.38 35.51 2yqq s VAL 14 CO 0.35 -0.41 0.94 0.00 -0.31 0.00 0.00 175.10 175.67 2yqq n VAL 16 N 2.08 0.00 0.02 0.00 0.24 -1.15 -0.52 118.33 119.00 2yqq n VAL 16 Ca 0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.47 2yqq n VAL 16 Cb -0.01 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 -0.24 0.81 0.02 1.34 2.08 -1.26 -4.87 119.36 117.24 2yqq n ILE 17 Ca 0.00 0.23 0.06 0.00 0.56 0.00 0.00 62.75 63.59 2yqq n ILE 17 Cb 0.12 -1.60 -0.09 0.00 -0.75 0.00 0.00 39.64 37.33 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 -1.86 -3.05 -4.18 0.00 4.77 0.32 -4.98 117.00 108.01 2yqq n LEU 19 Ca -0.02 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.59 2yqq n LEU 19 Cb 0.29 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.79 2yqq n LEU 19 CO 0.24 0.09 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.38 2yqq s GLU 20 N -4.02 0.87 -0.85 3.23 2.02 -1.26 -4.75 118.70 113.94 2yqq s GLU 20 Ca 0.08 -1.29 -0.33 0.00 0.02 0.00 0.00 54.97 53.46 2yqq s GLU 20 Cb -0.01 -0.37 -0.20 0.00 0.10 0.00 0.00 34.13 33.65 2yqq s GLU 20 CO 0.27 0.03 2.57 1.17 0.02 0.00 0.00 175.26 179.32 2yqq n LYS 21 N 0.14 0.14 -2.17 1.61 4.81 -1.26 -2.73 118.16 118.70 2yqq n LYS 21 Ca -0.13 0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2yqq n LYS 21 Cb 0.60 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 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 8.37 4.24 0.05 1.64 0.04 -1.26 -4.68 135.00 143.40 2yqq s PRO 22 Ca 1.29 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 64.34 2yqq s PRO 22 Cb -1.18 -3.70 -0.27 0.00 0.04 0.00 0.00 34.50 29.39 2yqq s PRO 22 CO 0.50 -0.67 1.04 0.87 0.04 0.00 0.00 177.00 178.77 2yqq h LYS 23 N 8.33 0.21 -4.79 4.56 1.57 -1.70 -3.47 116.57 121.28 2yqq h LYS 23 Ca -0.37 -0.35 -0.38 0.00 -1.87 0.00 0.00 60.65 57.68 2yqq h LYS 23 Cb 1.17 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 2yqq h LYS 23 CO 0.93 1.11 -0.55 0.71 -0.57 0.00 0.00 179.45 181.08 2yqq s TYR 24 N -2.65 1.52 0.21 -1.35 1.51 -1.02 -5.06 117.35 110.51 2yqq s TYR 24 Ca -0.05 -1.51 0.05 0.00 -1.01 0.00 0.00 57.07 54.55 2yqq s TYR 24 Cb 0.07 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 2yqq s TYR 24 CO 0.86 -0.72 -0.06 1.03 -1.11 0.00 0.00 175.55 175.55 2yqq s ARG 25 N -3.77 1.29 -0.07 -0.62 0.52 -1.26 -1.58 118.95 113.46 2yqq s ARG 25 Ca 0.39 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.69 2yqq s ARG 25 Cb 0.04 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 2yqq s ARG 25 CO 0.20 0.02 1.24 0.00 0.02 0.00 0.00 175.30 176.78 2yqq n PRO 27 N 5.53 0.49 0.01 0.00 -0.04 -1.26 0.12 135.00 139.85 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 0.46 -1.03 -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 -0.42 2.70 0.67 0.55 0.00 -1.26 -4.84 120.51 117.90 2yqq n ALA 28 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2yqq n ALA 28 Cb 0.01 0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.86 -3.00 -4.11 0.00 5.12 0.12 -4.97 116.66 107.97 2yqq n ARG 30 Ca 0.03 0.58 -0.29 0.00 -1.93 0.00 0.00 57.85 56.24 2yqq n ARG 30 Cb 0.41 -4.60 -0.07 0.00 -1.16 0.00 0.00 32.46 27.05 2yqq n ARG 30 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2yqq s VAL 31 N -3.25 4.24 0.03 1.55 -7.23 -1.26 -4.71 120.40 109.77 2yqq s VAL 31 Ca 0.15 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 2yqq s VAL 31 Cb -0.02 -3.08 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 2yqq s VAL 31 CO 0.49 0.02 1.42 -2.16 -0.31 0.00 0.00 175.10 174.57 2yqq s PRO 32 N -2.65 4.29 -0.15 4.82 0.04 -1.26 -1.45 135.00 138.64 2yqq s PRO 32 Ca 0.28 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 2yqq s PRO 32 Cb -0.11 -3.50 0.06 0.00 0.04 0.00 0.00 34.50 31.00 2yqq s PRO 32 CO 0.21 -0.55 0.35 1.52 0.04 0.00 0.00 177.00 178.56 2yqq s TYR 33 N 2.10 -0.55 0.00 0.56 -0.85 -0.61 -2.95 117.35 115.05 2yqq s TYR 33 Ca 0.65 1.17 0.00 0.00 -0.52 0.00 0.00 57.07 58.37 2yqq s TYR 33 Cb -0.33 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2yqq s TYR 33 CO 0.28 -0.36 0.64 0.00 -1.52 0.00 0.00 175.55 174.60 2yqq n SER 35 N -1.48 2.64 -0.14 0.00 7.64 -1.26 -4.10 113.62 116.93 2yqq n SER 35 Ca 0.00 -2.30 -0.08 0.00 1.01 0.00 0.00 58.87 57.50 2yqq n SER 35 Cb 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2yqq n SER 35 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2yqq h VAL 36 N 1.00 1.14 -0.89 0.44 2.07 -1.98 -2.91 116.25 115.13 2yqq h VAL 36 Ca -0.25 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.01 2yqq h VAL 36 Cb 0.78 0.62 -0.11 0.00 -1.52 0.00 0.00 31.29 31.06 2yqq h VAL 36 CO 0.40 0.15 -0.51 0.52 0.02 0.00 0.00 177.57 178.15 2yqq n VAL 37 N -4.74 -0.59 0.21 2.57 0.31 -1.26 0.18 118.33 115.00 2yqq n VAL 37 Ca 0.01 2.14 0.05 0.00 -0.01 0.00 0.00 64.34 66.53 2yqq n VAL 37 Cb 0.06 -2.66 0.51 0.00 -0.91 0.00 0.00 33.84 30.85 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 0.05 0.19 0.14 0.00 3.57 0.21 -3.07 116.94 118.01 2yqq h PHE 39 Ca 0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2yqq h PHE 39 Cb 0.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2yqq h PHE 39 CO 0.00 0.64 -0.07 0.00 -2.23 0.00 0.00 178.31 176.66 2yqq h ARG 40 N 0.12 -0.18 -1.25 1.11 3.08 0.89 0.99 114.38 119.15 2yqq h ARG 40 Ca 0.00 0.01 0.42 0.00 0.07 0.00 0.00 59.98 60.49 2yqq h ARG 40 Cb 0.96 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 30.92 2yqq h ARG 40 CO 0.08 -0.12 0.78 0.87 -1.07 0.00 0.00 179.97 180.51 2yqq h LYS 41 N -0.24 0.09 0.04 0.04 1.57 -1.64 0.28 116.57 116.72 2yqq h LYS 41 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2yqq h LYS 41 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2yqq h LYS 41 CO 0.03 0.06 -0.02 1.25 -0.57 0.00 0.00 179.45 180.20 2yqq h HIS 42 N 0.10 -0.05 -1.24 -1.35 -0.00 -1.50 -3.22 115.15 107.88 2yqq h HIS 42 Ca 0.82 -0.00 0.37 0.00 -0.00 0.00 0.00 60.37 61.56 2yqq h HIS 42 Cb 2.45 0.02 -0.11 0.00 -0.00 0.00 0.00 27.41 29.77 2yqq h HIS 42 CO -0.01 0.57 0.81 0.87 -0.00 0.00 0.00 177.93 180.18 2yqq h LYS 43 N -0.73 0.17 -0.98 5.26 1.79 0.22 0.42 116.57 122.72 2yqq h LYS 43 Ca -0.01 -0.01 0.26 0.00 -2.18 0.00 0.00 60.65 58.72 2yqq h LYS 43 Cb 0.64 -0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.12 2yqq h LYS 43 CO 0.01 0.11 0.53 0.93 -1.08 0.00 0.00 179.45 179.96 2yqq h GLU 44 N 0.18 0.44 0.00 3.15 5.08 -1.41 -1.52 114.58 120.50 2yqq h GLU 44 Ca 0.72 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 59.04 2yqq h GLU 44 Cb 2.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.34 2yqq h GLU 44 CO -0.32 0.29 -0.33 0.00 -1.00 0.00 0.00 179.01 177.65 2yqq n GLN 45 N -4.98 0.95 -1.74 2.33 -0.00 0.12 -5.04 117.38 109.02 2yqq n GLN 45 Ca 0.27 -2.36 -0.42 0.00 -0.00 0.00 0.00 57.00 54.49 2yqq n GLN 45 Cb 0.80 -1.16 -0.03 0.00 -0.00 0.00 0.00 30.24 29.85 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yqq s ASN 47 N 7.90 5.21 0.00 0.00 4.22 -1.26 -4.95 114.94 126.06 2yqq s ASN 47 Ca 0.93 -2.02 0.00 0.00 -2.14 0.00 0.00 52.86 49.63 2yqq s ASN 47 Cb -0.28 -1.81 0.00 0.00 1.28 0.00 0.00 41.25 40.44 2yqq s ASN 47 CO 0.34 -0.52 0.31 -0.81 -2.04 0.00 0.00 177.10 174.38 2yqq n PRO 48 N 4.57 0.48 -0.51 3.55 -0.04 -1.26 -4.13 135.00 137.67 2yqq n PRO 48 Ca -0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2yqq n PRO 48 Cb 0.41 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2yqq n PRO 48 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2yqq n GLU 49 N 0.03 1.02 -3.38 0.54 0.28 -1.26 -4.84 120.64 113.02 2yqq n GLU 49 Ca 0.00 -0.02 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 2yqq n GLU 49 Cb 0.08 -1.01 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 2yqq n GLU 49 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2yqq s THR 50 N 0.01 4.89 0.94 3.84 -1.32 -1.26 -5.06 115.64 117.69 2yqq s THR 50 Ca 0.01 1.03 -0.11 0.00 -1.21 0.00 0.00 61.69 61.42 2yqq s THR 50 Cb 0.00 -3.81 0.16 0.00 -1.51 0.00 0.00 72.50 67.35 2yqq s THR 50 CO -0.00 0.55 1.12 -0.94 -2.21 0.00 0.00 174.62 173.15 2yqq s SER 51 N -1.01 2.71 0.00 8.08 1.04 -1.26 -4.49 113.70 118.78 2yqq s SER 51 Ca 0.26 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2yqq s SER 51 Cb -0.18 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2yqq s SER 51 CO 0.16 -3.21 0.00 0.61 0.98 0.00 0.00 173.24 171.78 2yqq n GLY 52 N 0.18 1.15 3.69 7.32 0.00 -1.26 -5.00 105.19 111.28 2yqq n GLY 52 Ca 0.10 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 4.26 -0.07 1.61 0.04 -1.26 -5.02 135.00 134.56 2yqq s PRO 53 Ca 0.00 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2yqq s PRO 53 Cb 0.00 -3.61 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 2yqq s PRO 53 CO 0.00 -0.62 -0.21 0.45 0.04 0.00 0.00 177.00 176.66 2yqq s SER 54 N 2.06 2.64 -1.57 6.66 0.15 -1.26 -4.73 113.70 117.65 2yqq s SER 54 Ca 0.66 -0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.72 2yqq s SER 54 Cb -0.32 -0.97 0.10 0.00 -1.71 0.00 0.00 66.02 63.11 2yqq s SER 54 CO 0.27 0.16 0.80 -1.20 1.20 0.00 0.00 173.24 174.47 2yqq n SER 55 N 3.33 -3.29 0.00 5.45 7.64 -1.26 -5.29 113.62 120.20 2yqq n SER 55 Ca -0.19 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2yqq n SER 55 Cb 0.52 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64