#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 6.68 -0.16 1.61 0.01 -1.26 -4.98 113.70 115.60 2yqq s SER 2 Ca 0.00 1.93 -0.06 0.00 1.31 0.00 0.00 55.95 59.13 2yqq s SER 2 Cb 0.00 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.77 2yqq s SER 2 CO 0.00 -0.96 0.34 -0.94 0.41 0.00 0.00 173.24 172.09 2yqq s SER 3 N 3.16 -0.03 0.00 2.44 1.04 -1.26 -5.14 113.70 113.91 2yqq s SER 3 Ca 0.68 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2yqq s SER 3 Cb -0.28 0.96 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2yqq s SER 3 CO 0.25 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2yqq n GLY 4 N 5.19 0.61 3.64 7.32 0.00 -1.26 -5.14 105.19 115.55 2yqq n GLY 4 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2yqq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqq s SER 5 N -1.00 -0.58 0.04 1.61 0.15 -1.26 -5.18 113.70 107.48 2yqq s SER 5 Ca 0.00 0.98 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2yqq s SER 5 Cb 0.00 1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 65.45 2yqq s SER 5 CO 0.00 -0.16 -0.08 -0.55 1.20 0.00 0.00 173.24 173.65 2yqq s SER 6 N 1.03 0.90 -0.39 5.45 0.15 -1.26 -5.08 113.70 114.50 2yqq s SER 6 Ca -0.05 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.16 2yqq s SER 6 Cb -0.04 0.01 0.31 0.00 -1.71 0.00 0.00 66.02 64.59 2yqq s SER 6 CO -0.13 -0.14 1.24 0.61 1.20 0.00 0.00 173.24 176.02 2yqq n GLY 7 N 1.71 -0.59 0.36 9.45 0.00 -1.26 -5.02 105.19 109.84 2yqq n GLY 7 Ca -0.21 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 2yqq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yqq n LEU 8 N 0.60 1.77 -4.55 0.99 7.99 -1.26 -4.88 117.00 117.66 2yqq n LEU 8 Ca 0.00 0.09 -0.38 0.00 -0.01 0.00 0.00 56.01 55.72 2yqq n LEU 8 Cb 0.72 -0.48 -0.03 0.00 -0.11 0.00 0.00 43.42 43.52 2yqq n LEU 8 CO -0.04 0.47 1.39 -0.75 -1.51 0.00 0.00 177.39 176.95 2yqq s LYS 9 N -2.29 3.01 0.19 3.23 2.47 -1.26 -4.98 119.74 120.12 2yqq s LYS 9 Ca -0.21 -0.24 0.02 0.00 -1.56 0.00 0.00 55.97 53.98 2yqq s LYS 9 Cb 0.07 -4.69 -0.04 0.00 -1.46 0.00 0.00 37.83 31.72 2yqq s LYS 9 CO 0.30 -2.56 0.34 0.00 0.16 0.00 0.00 175.35 173.59 2yqq s SER 11 N -3.35 7.34 0.21 0.00 0.15 -1.26 -5.06 113.70 111.74 2yqq s SER 11 Ca 0.36 1.82 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 2yqq s SER 11 Cb -0.11 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.56 2yqq s SER 11 CO 0.29 -0.05 0.50 0.28 1.20 0.00 0.00 173.24 175.46 2yqq s THR 12 N -1.59 5.01 0.06 6.45 -1.32 -1.26 -5.10 115.64 117.90 2yqq s THR 12 Ca 0.49 0.29 0.02 0.00 -1.21 0.00 0.00 61.69 61.28 2yqq s THR 12 Cb -0.19 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.13 2yqq s THR 12 CO 0.24 -0.06 0.12 0.54 -2.21 0.00 0.00 174.62 173.24 2yqq s VAL 13 N -1.80 4.82 0.27 5.08 0.11 -1.26 -5.12 120.40 122.49 2yqq s VAL 13 Ca 0.45 -0.60 0.10 0.00 -2.93 0.00 0.00 61.98 59.00 2yqq s VAL 13 Cb -0.11 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 2yqq s VAL 13 CO 0.23 0.16 -0.04 0.68 -3.33 0.00 0.00 175.10 172.80 2yqq s VAL 14 N -1.39 3.27 -0.23 2.04 -7.23 -1.26 -4.75 120.40 110.85 2yqq s VAL 14 Ca 0.30 -2.00 -0.39 0.00 -1.81 0.00 0.00 61.98 58.09 2yqq s VAL 14 Cb -0.12 -2.74 -0.18 0.00 0.56 0.00 0.00 36.38 33.90 2yqq s VAL 14 CO 0.22 -0.37 1.20 0.00 -0.31 0.00 0.00 175.10 175.84 2yqq n VAL 16 N 2.49 0.00 0.03 0.00 0.24 -1.13 -0.51 118.33 119.45 2yqq n VAL 16 Ca 0.23 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.52 2yqq n VAL 16 Cb 0.01 -0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.31 1.24 0.10 1.34 2.08 -1.26 -4.87 119.36 117.68 2yqq n ILE 17 Ca 0.00 0.37 0.08 0.00 0.56 0.00 0.00 62.75 63.76 2yqq n ILE 17 Cb 0.07 -1.66 -0.12 0.00 -0.75 0.00 0.00 39.64 37.18 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 -1.96 -3.13 -4.19 0.00 4.77 0.33 -4.97 117.00 107.85 2yqq n LEU 19 Ca -0.02 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 2yqq n LEU 19 Cb 0.39 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.81 2yqq n LEU 19 CO 0.33 0.10 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.48 2yqq s GLU 20 N -4.07 0.88 -0.90 3.23 2.02 -1.26 -4.72 118.70 113.89 2yqq s GLU 20 Ca 0.09 -1.30 -0.33 0.00 0.02 0.00 0.00 54.97 53.45 2yqq s GLU 20 Cb -0.01 -0.40 -0.21 0.00 0.10 0.00 0.00 34.13 33.62 2yqq s GLU 20 CO 0.29 0.03 2.60 1.63 0.02 0.00 0.00 175.26 179.84 2yqq n LYS 21 N 0.12 0.06 -2.11 1.61 5.02 -1.26 -2.56 118.16 119.04 2yqq n LYS 21 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 2yqq n LYS 21 Cb 0.60 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 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 8.53 3.74 0.10 1.97 0.04 -1.26 -4.66 135.00 143.45 2yqq s PRO 22 Ca 1.32 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.82 2yqq s PRO 22 Cb -1.24 -4.05 -0.12 0.00 0.04 0.00 0.00 34.50 29.13 2yqq s PRO 22 CO 0.50 -1.37 1.35 0.87 0.04 0.00 0.00 177.00 178.40 2yqq h LYS 23 N 10.95 0.76 -4.99 4.56 1.57 -1.72 -3.46 116.57 124.24 2yqq h LYS 23 Ca -0.33 -0.52 -0.43 0.00 -1.87 0.00 0.00 60.65 57.50 2yqq h LYS 23 Cb 1.15 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2yqq h LYS 23 CO 1.01 1.14 -0.58 0.71 -0.57 0.00 0.00 179.45 181.16 2yqq s TYR 24 N -4.01 1.69 0.15 -1.35 1.51 -1.10 -5.05 117.35 109.20 2yqq s TYR 24 Ca -0.11 -1.20 0.03 0.00 -1.01 0.00 0.00 57.07 54.77 2yqq s TYR 24 Cb 0.09 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2yqq s TYR 24 CO 0.87 -0.30 -0.04 1.03 -1.11 0.00 0.00 175.55 176.00 2yqq s ARG 25 N -3.89 1.04 -0.08 -0.62 0.52 -1.26 -1.76 118.95 112.89 2yqq s ARG 25 Ca 0.35 -1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 2yqq s ARG 25 Cb 0.06 -0.37 -0.03 0.00 0.52 0.00 0.00 34.95 35.13 2yqq s ARG 25 CO 0.15 -0.04 1.34 0.00 0.02 0.00 0.00 175.30 176.77 2yqq n PRO 27 N 6.06 0.49 0.01 0.00 -0.04 -1.26 0.86 135.00 141.12 2yqq n PRO 27 Ca 0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2yqq n PRO 27 Cb 0.45 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.54 2.45 0.45 0.55 0.00 -1.26 -4.82 120.51 117.33 2yqq n ALA 28 Ca 0.01 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.33 2yqq n ALA 28 Cb 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.85 -2.82 -4.06 0.00 5.12 0.25 -4.81 116.66 108.49 2yqq n ARG 30 Ca -0.00 0.52 -0.32 0.00 -1.93 0.00 0.00 57.85 56.12 2yqq n ARG 30 Cb 0.42 -4.36 -0.06 0.00 -1.16 0.00 0.00 32.46 27.30 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 -3.23 4.75 -0.03 1.55 -7.23 -1.25 -4.72 120.40 110.24 2yqq s VAL 31 Ca 0.13 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 2yqq s VAL 31 Cb -0.02 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2yqq s VAL 31 CO 0.45 0.25 1.47 -2.16 -0.31 0.00 0.00 175.10 174.80 2yqq s PRO 32 N -2.04 4.24 -0.15 4.82 0.04 -1.26 -1.87 135.00 138.79 2yqq s PRO 32 Ca 0.26 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 2yqq s PRO 32 Cb -0.12 -3.70 0.07 0.00 0.04 0.00 0.00 34.50 30.79 2yqq s PRO 32 CO 0.18 -0.67 0.31 1.52 0.04 0.00 0.00 177.00 178.38 2yqq s TYR 33 N 2.94 -0.54 0.00 0.56 -0.85 -0.72 -2.85 117.35 115.89 2yqq s TYR 33 Ca 0.66 1.14 0.00 0.00 -0.52 0.00 0.00 57.07 58.35 2yqq s TYR 33 Cb -0.31 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.10 2yqq s TYR 33 CO 0.26 -0.39 0.78 0.00 -1.52 0.00 0.00 175.55 174.68 2yqq s SER 35 N -2.01 4.07 0.25 0.00 0.01 -1.26 -4.15 113.70 110.60 2yqq s SER 35 Ca 0.00 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 56.05 2yqq s SER 35 Cb 0.00 -0.45 0.45 0.00 0.21 0.00 0.00 66.02 66.23 2yqq s SER 35 CO 0.00 -0.35 1.64 0.58 0.41 0.00 0.00 173.24 175.52 2yqq h VAL 36 N 1.76 0.36 -0.23 3.43 2.07 -1.99 -2.43 116.25 119.23 2yqq h VAL 36 Ca -0.43 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2yqq h VAL 36 Cb 1.25 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2yqq h VAL 36 CO 0.72 0.02 -0.13 0.52 0.02 0.00 0.00 177.57 178.72 2yqq n VAL 37 N -5.32 -0.15 -0.32 2.57 0.31 -1.26 0.88 118.33 115.04 2yqq n VAL 37 Ca 0.14 1.49 0.15 0.00 -0.01 0.00 0.00 64.34 66.11 2yqq n VAL 37 Cb 0.48 -1.94 0.38 0.00 -0.91 0.00 0.00 33.84 31.85 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 0.66 0.91 -0.22 0.00 3.04 0.70 -3.05 116.94 118.99 2yqq h PHE 39 Ca 0.54 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.46 2yqq h PHE 39 Cb 0.98 -0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.15 2yqq h PHE 39 CO -0.00 0.71 -0.45 0.00 -2.02 0.00 0.00 178.31 176.55 2yqq h ARG 40 N 0.84 -0.39 -0.97 1.11 3.08 0.19 0.36 114.38 118.61 2yqq h ARG 40 Ca 0.21 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.53 2yqq h ARG 40 Cb 0.17 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 2yqq h ARG 40 CO -0.02 -0.26 0.66 0.87 -1.07 0.00 0.00 179.97 180.15 2yqq h LYS 41 N -0.40 0.25 0.28 0.04 1.57 -1.52 -1.72 116.57 115.06 2yqq h LYS 41 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2yqq h LYS 41 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2yqq h LYS 41 CO -0.42 0.17 -0.13 1.25 -0.57 0.00 0.00 179.45 179.74 2yqq h HIS 42 N 0.26 -0.34 -0.90 -1.35 -0.00 -0.60 -3.22 115.15 109.00 2yqq h HIS 42 Ca 0.50 -0.01 0.36 0.00 -0.00 0.00 0.00 60.37 61.22 2yqq h HIS 42 Cb 1.51 0.11 -0.14 0.00 -0.00 0.00 0.00 27.41 28.90 2yqq h HIS 42 CO -0.00 0.01 0.51 1.17 -0.00 0.00 0.00 177.93 179.62 2yqq n LYS 43 N -5.04 -0.04 -0.26 5.26 3.00 0.95 0.11 118.16 122.14 2yqq n LYS 43 Ca -0.08 1.12 0.05 0.00 -0.00 0.00 0.00 58.31 59.40 2yqq n LYS 43 Cb 0.26 -2.05 0.16 0.00 0.00 0.00 0.00 35.03 33.40 2yqq n LYS 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2yqq h GLU 44 N 0.00 0.11 0.00 1.64 5.08 -1.53 -1.81 114.58 118.06 2yqq h GLU 44 Ca 0.71 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 59.05 2yqq h GLU 44 Cb 1.97 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 2yqq h GLU 44 CO -0.58 0.07 -0.40 1.04 -1.00 0.00 0.00 179.01 178.15 2yqq n GLN 45 N -5.33 1.42 -1.57 2.33 6.02 0.30 -5.03 117.38 115.51 2yqq n GLN 45 Ca 0.14 -3.03 -0.45 0.00 -0.01 0.00 0.00 57.00 53.65 2yqq n GLN 45 Cb 0.48 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 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 7.86 5.41 1.19 0.00 2.47 -1.26 -5.00 114.94 125.60 2yqq s ASN 47 Ca 1.02 -1.66 -0.19 0.00 0.42 0.00 0.00 52.86 52.45 2yqq s ASN 47 Cb -0.45 -1.90 0.28 0.00 -1.45 0.00 0.00 41.25 37.73 2yqq s ASN 47 CO 0.39 -0.51 1.11 -2.16 -3.72 0.00 0.00 177.10 172.21 2yqq s PRO 48 N 1.31 -1.14 -0.59 0.43 0.04 -1.26 -4.61 135.00 129.17 2yqq s PRO 48 Ca 0.04 -0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.04 2yqq s PRO 48 Cb -0.23 -1.60 0.15 0.00 0.04 0.00 0.00 34.50 32.86 2yqq s PRO 48 CO -0.01 -3.66 0.38 -1.21 0.04 0.00 0.00 177.00 172.54 2yqq s GLU 49 N -5.37 2.37 -0.16 4.56 2.02 -1.24 -4.91 118.70 115.97 2yqq s GLU 49 Ca 0.71 -2.58 -0.13 0.00 0.02 0.00 0.00 54.97 52.99 2yqq s GLU 49 Cb -0.10 -3.59 0.05 0.00 0.10 0.00 0.00 34.13 30.59 2yqq s GLU 49 CO 0.56 -1.15 0.41 0.99 0.02 0.00 0.00 175.26 176.09 2yqq s THR 50 N -0.17 -0.01 -0.25 3.63 2.01 -1.26 -5.06 115.64 114.53 2yqq s THR 50 Ca 0.17 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.22 2yqq s THR 50 Cb -0.22 -0.59 0.07 0.00 0.01 0.00 0.00 72.50 71.76 2yqq s THR 50 CO -0.02 0.01 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.33 2yqq s SER 51 N 0.62 4.01 0.55 3.53 0.15 -1.26 -5.11 113.70 116.20 2yqq s SER 51 Ca -0.03 -1.31 -0.18 0.00 0.70 0.00 0.00 55.95 55.12 2yqq s SER 51 Cb -0.05 -1.24 -0.10 0.00 -1.71 0.00 0.00 66.02 62.92 2yqq s SER 51 CO -0.04 -0.25 0.41 0.61 1.20 0.00 0.00 173.24 175.17 2yqq n GLY 52 N 4.62 -1.79 0.00 9.45 0.00 -1.26 -4.80 105.19 111.41 2yqq n GLY 52 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2yqq n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yqq n PRO 53 N 0.24 0.49 0.06 1.61 -0.04 -1.26 -3.33 135.00 132.76 2yqq n PRO 53 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2yqq n PRO 53 Cb 0.47 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 2yqq n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2yqq h SER 54 N 0.00 -0.17 -3.76 3.54 0.87 -2.05 -3.40 113.55 108.58 2yqq h SER 54 Ca 0.00 -0.34 -0.65 0.00 -1.23 0.00 0.00 61.79 59.57 2yqq h SER 54 Cb 0.00 0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 61.60 2yqq h SER 54 CO 0.00 0.30 -0.71 -0.44 -0.53 0.00 0.00 176.83 175.45 2yqq s SER 55 N -5.43 4.61 0.00 6.23 0.01 -1.21 -5.30 113.70 112.62 2yqq s SER 55 Ca -0.14 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.84 2yqq s SER 55 Cb 0.01 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2yqq s SER 55 CO 0.57 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.48