#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 6.05 -0.21 1.61 1.04 -1.26 -5.05 113.70 115.88 2yqq s SER 2 Ca 0.00 2.06 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 2yqq s SER 2 Cb 0.00 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.65 2yqq s SER 2 CO 0.00 -0.99 0.39 -0.55 0.98 0.00 0.00 173.24 173.07 2yqq s SER 3 N -1.86 0.00 0.00 7.02 0.15 -1.26 -5.14 113.70 112.61 2yqq s SER 3 Ca 0.70 0.66 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2yqq s SER 3 Cb -0.20 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2yqq s SER 3 CO 0.24 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2yqq n GLY 4 N 5.38 3.47 0.41 9.45 0.00 -1.26 -5.04 105.19 117.60 2yqq n GLY 4 Ca -0.06 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 2yqq n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqq h SER 5 N 0.00 -0.86 -3.24 1.61 0.02 -2.08 -3.47 113.55 105.52 2yqq h SER 5 Ca 0.00 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 2yqq h SER 5 Cb 0.00 0.22 0.06 0.00 0.14 0.00 0.00 62.40 62.83 2yqq h SER 5 CO 0.00 -0.49 -0.31 -0.24 -1.14 0.00 0.00 176.83 174.65 2yqq n SER 6 N -5.44 -3.43 0.00 3.07 2.88 -1.26 -5.05 113.62 104.40 2yqq n SER 6 Ca -0.13 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2yqq n SER 6 Cb 0.40 -2.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.37 2yqq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqq n GLY 7 N -1.14 1.98 3.12 0.46 0.00 -1.26 -5.14 105.19 103.21 2yqq n GLY 7 Ca -0.03 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 2.20 0.10 0.99 1.02 -1.26 -5.16 118.68 116.58 2yqq s LEU 8 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 54.13 53.54 2yqq s LEU 8 Cb 0.00 -0.47 0.02 0.00 0.02 0.00 0.00 46.19 45.75 2yqq s LEU 8 CO 0.00 -0.04 0.29 -0.54 0.02 0.00 0.00 176.35 176.09 2yqq s LYS 9 N -1.29 0.95 -0.22 1.70 1.02 -1.26 -5.15 119.74 115.49 2yqq s LYS 9 Ca -0.01 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.11 2yqq s LYS 9 Cb -0.08 0.40 0.11 0.00 -0.52 0.00 0.00 37.83 37.74 2yqq s LYS 9 CO 0.01 -0.34 0.30 0.00 -0.92 0.00 0.00 175.35 174.40 2yqq s SER 11 N 2.44 5.02 -0.08 0.00 0.15 -1.26 -4.85 113.70 115.11 2yqq s SER 11 Ca 0.09 -1.47 -0.04 0.00 0.70 0.00 0.00 55.95 55.23 2yqq s SER 11 Cb -0.15 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2yqq s SER 11 CO -0.13 -3.06 0.19 0.28 1.20 0.00 0.00 173.24 171.72 2yqq s THR 12 N 10.98 -0.03 0.19 6.45 -1.32 -1.26 -5.16 115.64 125.49 2yqq s THR 12 Ca 0.69 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 61.38 2yqq s THR 12 Cb -0.02 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 2yqq s THR 12 CO 0.11 0.05 -0.03 0.54 -2.21 0.00 0.00 174.62 173.08 2yqq s VAL 13 N 0.95 3.52 0.27 5.08 0.11 -1.26 -5.14 120.40 123.93 2yqq s VAL 13 Ca -0.07 -1.57 0.11 0.00 -2.93 0.00 0.00 61.98 57.52 2yqq s VAL 13 Cb -0.09 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.93 2yqq s VAL 13 CO -0.05 -0.15 -0.16 0.68 -3.33 0.00 0.00 175.10 172.08 2yqq s VAL 14 N -1.82 2.69 -0.09 2.04 -7.23 -1.26 -4.63 120.40 110.11 2yqq s VAL 14 Ca 0.27 -2.28 -0.41 0.00 -1.81 0.00 0.00 61.98 57.76 2yqq s VAL 14 Cb -0.09 -2.41 -0.19 0.00 0.56 0.00 0.00 36.38 34.25 2yqq s VAL 14 CO 0.18 -0.38 1.23 0.00 -0.31 0.00 0.00 175.10 175.82 2yqq n VAL 16 N 2.23 0.03 0.03 0.00 0.24 -1.17 -0.58 118.33 119.13 2yqq n VAL 16 Ca 0.22 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2yqq n VAL 16 Cb 0.07 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 -0.08 0.46 0.24 1.34 2.08 -1.26 -4.88 119.36 117.27 2yqq n ILE 17 Ca 0.00 0.15 0.06 0.00 0.56 0.00 0.00 62.75 63.53 2yqq n ILE 17 Cb 0.22 -1.33 -0.08 0.00 -0.75 0.00 0.00 39.64 37.69 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 -1.64 -3.21 -4.21 0.00 4.77 0.26 -4.97 117.00 108.01 2yqq n LEU 19 Ca -0.00 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 2yqq n LEU 19 Cb 0.26 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.61 2yqq n LEU 19 CO 0.25 0.10 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.43 2yqq s GLU 20 N -4.09 0.97 -0.47 3.23 2.02 -1.26 -4.71 118.70 114.39 2yqq s GLU 20 Ca 0.10 -1.42 -0.33 0.00 0.02 0.00 0.00 54.97 53.33 2yqq s GLU 20 Cb -0.01 -0.27 -0.12 0.00 0.10 0.00 0.00 34.13 33.82 2yqq s GLU 20 CO 0.31 -0.05 2.31 1.17 0.02 0.00 0.00 175.26 179.02 2yqq n LYS 21 N -0.14 0.89 -2.19 1.61 4.81 -1.26 -0.86 118.16 121.03 2yqq n LYS 21 Ca -0.10 0.19 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 2yqq n LYS 21 Cb 0.62 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 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 7.01 4.29 0.02 1.64 0.04 -1.26 -4.63 135.00 142.11 2yqq s PRO 22 Ca 1.12 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 64.15 2yqq s PRO 22 Cb -0.80 -3.46 -0.28 0.00 0.04 0.00 0.00 34.50 30.00 2yqq s PRO 22 CO 0.45 -0.53 0.94 0.87 0.04 0.00 0.00 177.00 178.77 2yqq h LYS 23 N 7.51 0.25 -4.63 4.56 1.57 -1.62 -3.46 116.57 120.75 2yqq h LYS 23 Ca -0.40 -0.43 -0.26 0.00 -1.87 0.00 0.00 60.65 57.69 2yqq h LYS 23 Cb 1.19 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 2yqq h LYS 23 CO 0.89 1.14 -0.62 0.71 -0.57 0.00 0.00 179.45 180.99 2yqq s TYR 24 N -2.63 1.20 0.13 -1.35 1.51 -1.01 -5.05 117.35 110.14 2yqq s TYR 24 Ca -0.07 -1.32 0.07 0.00 -1.01 0.00 0.00 57.07 54.73 2yqq s TYR 24 Cb 0.07 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 2yqq s TYR 24 CO 0.86 -0.56 -0.15 1.03 -1.11 0.00 0.00 175.55 175.62 2yqq s ARG 25 N -4.12 1.07 0.18 -0.62 0.52 -1.26 -1.94 118.95 112.79 2yqq s ARG 25 Ca 0.37 -1.26 -0.32 0.00 -0.52 0.00 0.00 55.73 54.00 2yqq s ARG 25 Cb 0.07 -1.02 -0.11 0.00 0.52 0.00 0.00 34.95 34.41 2yqq s ARG 25 CO 0.11 0.20 1.72 0.00 0.02 0.00 0.00 175.30 177.35 2yqq n PRO 27 N 4.35 0.49 0.00 0.00 -0.04 -1.26 -0.26 135.00 138.28 2yqq n PRO 27 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2yqq n PRO 27 Cb 0.36 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.40 3.00 0.52 0.55 0.00 -1.26 -4.86 120.51 118.06 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 0.02 0.01 0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.10 -3.92 -3.45 0.00 3.00 0.64 -4.94 116.66 105.90 2yqq n ARG 30 Ca 0.02 0.51 -0.35 0.00 -0.01 0.00 0.00 57.85 58.02 2yqq n ARG 30 Cb 0.45 -4.52 -0.06 0.00 0.00 0.00 0.00 32.46 28.33 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 -3.22 4.95 -0.07 1.55 -7.23 -1.26 -4.63 120.40 110.50 2yqq s VAL 31 Ca 0.01 0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 2yqq s VAL 31 Cb -0.00 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 2yqq s VAL 31 CO 0.44 0.30 1.50 -2.16 -0.31 0.00 0.00 175.10 174.87 2yqq s PRO 32 N -1.83 4.22 -0.10 4.82 0.04 -1.26 -2.07 135.00 138.81 2yqq s PRO 32 Ca 0.34 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.33 2yqq s PRO 32 Cb -0.15 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.60 2yqq s PRO 32 CO 0.18 -0.75 0.25 1.52 0.04 0.00 0.00 177.00 178.24 2yqq s TYR 33 N 3.52 -0.32 0.00 0.56 -0.85 -0.82 -3.02 117.35 116.43 2yqq s TYR 33 Ca 0.67 0.76 0.00 0.00 -0.52 0.00 0.00 57.07 57.97 2yqq s TYR 33 Cb -0.30 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.11 2yqq s TYR 33 CO 0.25 -0.20 0.61 0.00 -1.52 0.00 0.00 175.55 174.70 2yqq n SER 35 N -1.86 2.84 -0.24 0.00 7.64 -1.26 -3.88 113.62 116.86 2yqq n SER 35 Ca 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 58.87 57.28 2yqq n SER 35 Cb 0.00 0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.43 2yqq n SER 35 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2yqq h VAL 36 N 1.05 1.21 -0.34 0.44 -1.51 -1.98 -3.03 116.25 112.09 2yqq h VAL 36 Ca -0.29 -0.53 0.03 0.00 -1.23 0.00 0.00 66.70 64.68 2yqq h VAL 36 Cb 0.91 0.35 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 2yqq h VAL 36 CO 0.48 0.23 -0.24 0.58 -1.23 0.00 0.00 177.57 177.39 2yqq h VAL 37 N 0.90 0.00 -0.65 7.19 2.07 -1.99 0.86 116.25 124.64 2yqq h VAL 37 Ca 0.23 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.92 2yqq h VAL 37 Cb 0.05 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 2yqq h VAL 37 CO -0.04 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.01 2yqq h PHE 39 N 0.10 0.24 0.45 0.00 3.57 0.23 -3.20 116.94 118.33 2yqq h PHE 39 Ca 0.31 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2yqq h PHE 39 Cb 1.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2yqq h PHE 39 CO -0.00 0.83 -0.34 0.00 -2.23 0.00 0.00 178.31 176.56 2yqq h ARG 40 N 0.12 -0.73 -0.91 1.11 3.08 0.35 0.27 114.38 117.67 2yqq h ARG 40 Ca -0.02 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.29 2yqq h ARG 40 Cb 1.26 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 31.35 2yqq h ARG 40 CO 0.11 -0.49 0.44 0.87 -1.07 0.00 0.00 179.97 179.83 2yqq h LYS 41 N -0.76 0.45 0.42 0.04 1.57 -1.64 -2.23 116.57 114.43 2yqq h LYS 41 Ca -0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2yqq h LYS 41 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2yqq h LYS 41 CO 0.02 0.30 -0.20 1.25 -0.57 0.00 0.00 179.45 180.24 2yqq h HIS 42 N 0.47 -0.53 -0.79 -1.35 -0.00 -1.47 -3.16 115.15 108.32 2yqq h HIS 42 Ca 0.56 -0.01 0.22 0.00 -0.00 0.00 0.00 60.37 61.14 2yqq h HIS 42 Cb 1.03 0.17 -0.15 0.00 -0.00 0.00 0.00 27.41 28.47 2yqq h HIS 42 CO -0.11 -0.33 0.04 1.17 -0.00 0.00 0.00 177.93 178.71 2yqq n LYS 43 N -3.87 -0.06 -0.33 5.26 0.00 0.91 0.11 118.16 120.18 2yqq n LYS 43 Ca -0.07 1.17 0.12 0.00 0.00 0.00 0.00 58.31 59.53 2yqq n LYS 43 Cb 0.22 -1.88 0.25 0.00 0.00 0.00 0.00 35.03 33.63 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 0.03 -0.05 1.64 5.08 -1.38 0.11 114.58 120.02 2yqq h GLU 44 Ca 0.49 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2yqq h GLU 44 Cb 1.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2yqq h GLU 44 CO -0.73 0.02 -0.30 0.00 -1.00 0.00 0.00 179.01 177.00 2yqq n GLN 45 N -5.47 1.58 -1.86 2.33 -0.00 0.31 -5.01 117.38 109.26 2yqq n GLN 45 Ca 0.21 -3.08 -0.39 0.00 -0.00 0.00 0.00 57.00 53.73 2yqq n GLN 45 Cb 0.67 -1.62 -0.03 0.00 -0.00 0.00 0.00 30.24 29.27 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 8.91 5.14 1.13 0.00 2.47 -1.26 -4.99 114.94 126.35 2yqq s ASN 47 Ca 0.81 -2.01 -0.11 0.00 0.42 0.00 0.00 52.86 51.96 2yqq s ASN 47 Cb -0.17 -1.78 0.16 0.00 -1.45 0.00 0.00 41.25 38.01 2yqq s ASN 47 CO 0.26 -0.50 0.58 -0.81 -3.72 0.00 0.00 177.10 172.91 2yqq n PRO 48 N 4.53 -2.16 -1.71 0.43 -0.04 -1.26 -4.92 135.00 129.88 2yqq n PRO 48 Ca -0.02 -0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 62.09 2yqq n PRO 48 Cb 0.42 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 2yqq n PRO 48 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2yqq s GLU 49 N -4.32 4.13 0.11 0.54 1.03 -1.26 -4.90 118.70 114.03 2yqq s GLU 49 Ca 0.38 2.61 -0.20 0.00 0.03 0.00 0.00 54.97 57.79 2yqq s GLU 49 Cb -0.04 -3.52 -0.08 0.00 -0.80 0.00 0.00 34.13 29.70 2yqq s GLU 49 CO 0.29 -0.83 1.72 1.15 -1.33 0.00 0.00 175.26 176.26 2yqq h THR 50 N 4.55 1.09 -1.80 1.83 2.02 -1.95 -3.40 112.91 115.25 2yqq h THR 50 Ca -0.46 -0.23 -0.53 0.00 0.77 0.00 0.00 66.41 65.96 2yqq h THR 50 Cb 1.22 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2yqq h THR 50 CO 0.95 0.09 1.56 -1.20 0.37 0.00 0.00 175.52 177.29 2yqq n SER 51 N -4.92 2.81 0.16 4.18 7.64 -1.26 -4.86 113.62 117.38 2yqq n SER 51 Ca -0.04 -0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.64 2yqq n SER 51 Cb 0.06 -1.57 -0.04 0.00 -1.01 0.00 0.00 64.21 61.65 2yqq n SER 51 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2yqq h GLY 52 N 17.18 -0.50 1.16 0.23 0.00 -2.02 -3.37 103.07 115.75 2yqq h GLY 52 Ca -0.33 0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 2yqq h GLY 52 CO 1.05 -0.18 -0.39 -0.56 0.00 0.00 0.00 176.54 176.46 2yqq h PRO 53 N -1.12 0.92 -4.95 4.80 0.13 -1.98 -3.40 132.00 126.40 2yqq h PRO 53 Ca -0.05 -0.49 -0.68 0.00 -0.87 0.00 0.00 66.00 63.91 2yqq h PRO 53 Cb 0.38 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.35 2yqq h PRO 53 CO 0.08 1.14 0.16 0.45 -0.23 0.00 0.00 178.00 179.60 2yqq s SER 54 N -6.85 6.21 -0.08 1.44 0.15 -1.26 -4.81 113.70 108.51 2yqq s SER 54 Ca -0.11 -1.11 -0.01 0.00 0.70 0.00 0.00 55.95 55.43 2yqq s SER 54 Cb 0.11 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2yqq s SER 54 CO 0.88 -1.07 -0.08 -0.24 1.20 0.00 0.00 173.24 173.94 2yqq n SER 55 N 6.48 2.56 0.00 5.45 2.88 -1.26 -4.55 113.62 125.18 2yqq n SER 55 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2yqq n SER 55 Cb 0.44 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42