#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 6.49 0.15 1.61 0.15 -1.26 -4.93 113.70 115.92 2yqq s SER 2 Ca 0.00 -2.23 -0.19 0.00 0.70 0.00 0.00 55.95 54.23 2yqq s SER 2 Cb 0.00 -2.22 0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2yqq s SER 2 CO 0.00 -0.74 1.67 -1.28 1.20 0.00 0.00 173.24 174.09 2yqq h SER 3 N 8.35 -0.40 -4.59 5.45 0.87 -2.14 -3.47 113.55 117.61 2yqq h SER 3 Ca -0.08 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.42 2yqq h SER 3 Cb 1.07 0.23 0.13 0.00 -0.44 0.00 0.00 62.40 63.39 2yqq h SER 3 CO 0.90 -0.15 -0.56 0.61 -0.53 0.00 0.00 176.83 177.10 2yqq n GLY 4 N -1.29 -0.43 3.56 5.77 0.00 -1.26 -4.86 105.19 106.68 2yqq n GLY 4 Ca -0.00 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.30 4.59 0.18 1.61 0.01 -1.26 -4.91 113.70 110.62 2yqq s SER 5 Ca 0.28 -0.32 -0.32 0.00 1.31 0.00 0.00 55.95 56.90 2yqq s SER 5 Cb -0.04 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 2yqq s SER 5 CO 0.49 -3.24 1.78 -0.24 0.41 0.00 0.00 173.24 172.43 2yqq n SER 6 N 16.03 4.04 -4.74 2.44 2.88 -1.26 -4.99 113.62 128.02 2yqq n SER 6 Ca 0.43 1.03 -0.23 0.00 -1.33 0.00 0.00 58.87 58.77 2yqq n SER 6 Cb 0.45 -1.57 0.10 0.00 -0.75 0.00 0.00 64.21 62.44 2yqq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yqq s GLY 7 N 1.82 1.76 -0.23 0.46 0.00 -1.26 -5.13 107.32 104.74 2yqq s GLY 7 Ca 0.78 -1.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.51 2yqq s GLY 7 CO 0.34 -1.20 0.86 0.48 0.00 0.00 0.00 173.10 173.58 2yqq s LEU 8 N -5.06 -0.59 -0.47 0.66 2.34 -1.26 -5.12 118.68 109.19 2yqq s LEU 8 Ca 0.65 1.02 0.03 0.00 0.06 0.00 0.00 54.13 55.88 2yqq s LEU 8 Cb -0.06 2.20 0.14 0.00 -0.56 0.00 0.00 46.19 47.91 2yqq s LEU 8 CO 0.43 -0.28 0.26 -0.54 -1.06 0.00 0.00 176.35 175.17 2yqq s LYS 9 N -0.07 1.43 -0.36 1.48 1.02 -1.26 -5.08 119.74 116.89 2yqq s LYS 9 Ca -0.01 -2.18 -0.12 0.00 0.02 0.00 0.00 55.97 53.69 2yqq s LYS 9 Cb -0.04 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2yqq s LYS 9 CO -0.00 -1.18 0.22 0.00 -0.92 0.00 0.00 175.35 173.47 2yqq s SER 11 N 1.62 -0.18 -0.07 0.00 1.04 -1.26 -5.17 113.70 109.68 2yqq s SER 11 Ca 0.04 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 2yqq s SER 11 Cb -0.18 0.74 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2yqq s SER 11 CO 0.08 -1.39 0.16 0.28 0.98 0.00 0.00 173.24 173.35 2yqq s THR 12 N -3.62 -0.07 0.59 2.02 -1.32 -1.26 -5.15 115.64 106.83 2yqq s THR 12 Ca 0.13 0.19 -0.19 0.00 -1.21 0.00 0.00 61.69 60.62 2yqq s THR 12 Cb -0.05 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 2yqq s THR 12 CO 0.08 0.08 1.18 0.54 -2.21 0.00 0.00 174.62 174.30 2yqq s VAL 13 N 1.29 2.76 0.28 5.08 0.11 -1.26 -5.05 120.40 123.61 2yqq s VAL 13 Ca -0.08 0.46 0.10 0.00 -2.93 0.00 0.00 61.98 59.54 2yqq s VAL 13 Cb -0.12 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 2yqq s VAL 13 CO -0.06 -0.11 -0.16 0.68 -3.33 0.00 0.00 175.10 172.11 2yqq s VAL 14 N -1.69 2.24 -0.09 2.04 -7.23 -1.26 -4.69 120.40 109.71 2yqq s VAL 14 Ca 0.76 -2.32 -0.41 0.00 -1.81 0.00 0.00 61.98 58.20 2yqq s VAL 14 Cb -0.28 -2.33 -0.20 0.00 0.56 0.00 0.00 36.38 34.13 2yqq s VAL 14 CO 0.33 -0.39 1.19 0.00 -0.31 0.00 0.00 175.10 175.91 2yqq n VAL 16 N 2.06 0.15 0.06 0.00 0.24 -1.05 -0.60 118.33 119.18 2yqq n VAL 16 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 2yqq n VAL 16 Cb 0.06 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 0.35 0.62 1.34 2.08 -1.26 -4.88 119.36 117.70 2yqq n ILE 17 Ca 0.00 0.12 0.07 0.00 0.56 0.00 0.00 62.75 63.49 2yqq n ILE 17 Cb 0.28 -1.02 -0.04 0.00 -0.75 0.00 0.00 39.64 38.11 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 -0.78 -3.25 -4.73 0.00 4.32 0.23 -4.95 117.00 107.84 2yqq n LEU 19 Ca 0.04 -0.47 -0.30 0.00 -0.02 0.00 0.00 56.01 55.26 2yqq n LEU 19 Cb 0.25 -2.72 -0.08 0.00 -1.62 0.00 0.00 43.42 39.25 2yqq n LEU 19 CO 0.23 0.57 -0.22 -1.61 -1.22 0.00 0.00 177.39 175.13 2yqq s GLU 20 N -6.12 2.14 -0.35 3.23 0.41 -1.26 -4.64 118.70 112.11 2yqq s GLU 20 Ca 0.50 -2.20 -0.31 0.00 -0.41 0.00 0.00 54.97 52.55 2yqq s GLU 20 Cb -0.22 -1.69 -0.09 0.00 -1.78 0.00 0.00 34.13 30.35 2yqq s GLU 20 CO 0.64 -0.26 2.25 1.17 -0.49 0.00 0.00 175.26 178.57 2yqq n LYS 21 N -1.23 1.35 -2.05 1.61 4.81 -1.26 -0.71 118.16 120.68 2yqq n LYS 21 Ca -0.11 0.33 -0.27 0.00 -0.87 0.00 0.00 58.31 57.39 2yqq n LYS 21 Cb 0.66 -2.83 -0.05 0.00 0.02 0.00 0.00 35.03 32.83 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 6.66 2.54 0.31 1.64 0.04 -1.26 -4.45 135.00 140.48 2yqq s PRO 22 Ca 1.06 -0.50 0.08 0.00 0.04 0.00 0.00 61.00 61.68 2yqq s PRO 22 Cb -0.60 -5.11 0.85 0.00 0.04 0.00 0.00 34.50 29.69 2yqq s PRO 22 CO 0.41 -3.52 1.70 -0.22 0.04 0.00 0.00 177.00 175.41 2yqq h LYS 23 N 10.92 0.45 -4.90 4.56 1.63 -1.75 -3.43 116.57 124.04 2yqq h LYS 23 Ca 0.13 -0.03 -0.43 0.00 -0.85 0.00 0.00 60.65 59.47 2yqq h LYS 23 Cb 0.99 -0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.38 2yqq h LYS 23 CO 1.21 0.29 -0.55 0.71 -3.45 0.00 0.00 179.45 177.67 2yqq s TYR 24 N -5.81 1.63 0.14 1.91 2.02 -0.73 -5.02 117.35 111.50 2yqq s TYR 24 Ca -0.11 -1.38 0.01 0.00 -0.37 0.00 0.00 57.07 55.22 2yqq s TYR 24 Cb 0.27 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2yqq s TYR 24 CO 0.79 -0.52 -0.01 1.03 -1.57 0.00 0.00 175.55 175.27 2yqq s ARG 25 N -3.78 1.00 0.09 -0.62 0.52 -1.26 -1.21 118.95 113.69 2yqq s ARG 25 Ca 0.35 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 53.79 2yqq s ARG 25 Cb 0.05 -0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.28 2yqq s ARG 25 CO 0.18 -0.12 1.35 0.00 0.02 0.00 0.00 175.30 176.73 2yqq n PRO 27 N 4.05 0.49 0.00 0.00 -0.04 -1.26 -0.95 135.00 137.28 2yqq n PRO 27 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2yqq n PRO 27 Cb 0.43 -1.04 0.00 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 2.47 0.16 0.55 0.00 -1.26 -4.86 120.51 117.03 2yqq n ALA 28 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2yqq n ALA 28 Cb 0.00 0.00 0.07 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 -3.13 -1.69 -3.45 0.00 5.12 -0.13 -4.88 116.66 108.50 2yqq n ARG 30 Ca 0.02 0.21 -0.34 0.00 -1.93 0.00 0.00 57.85 55.81 2yqq n ARG 30 Cb 0.66 -3.34 -0.05 0.00 -1.16 0.00 0.00 32.46 28.56 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 -3.09 4.96 -0.09 1.55 -7.23 -1.26 -4.64 120.40 110.60 2yqq s VAL 31 Ca 0.02 0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 60.46 2yqq s VAL 31 Cb -0.01 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 2yqq s VAL 31 CO 0.18 0.14 1.52 -2.16 -0.31 0.00 0.00 175.10 174.47 2yqq s PRO 32 N -2.27 4.20 -0.13 4.82 0.04 -1.26 -1.94 135.00 138.46 2yqq s PRO 32 Ca 0.40 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.40 2yqq s PRO 32 Cb -0.13 -3.91 0.06 0.00 0.04 0.00 0.00 34.50 30.56 2yqq s PRO 32 CO 0.20 -0.80 0.27 1.52 0.04 0.00 0.00 177.00 178.23 2yqq s TYR 33 N 3.85 -0.43 -0.02 0.56 -0.85 -0.35 -2.54 117.35 117.57 2yqq s TYR 33 Ca 0.67 0.97 -0.18 0.00 -0.52 0.00 0.00 57.07 58.01 2yqq s TYR 33 Cb -0.29 0.00 -0.10 0.00 0.38 0.00 0.00 41.96 41.95 2yqq s TYR 33 CO 0.24 -0.34 0.75 0.00 -1.52 0.00 0.00 175.55 174.69 2yqq s SER 35 N -4.81 4.04 0.48 0.00 1.04 -1.26 -4.29 113.70 108.90 2yqq s SER 35 Ca -0.10 -1.12 0.18 0.00 0.48 0.00 0.00 55.95 55.40 2yqq s SER 35 Cb 0.01 -0.46 1.19 0.00 0.10 0.00 0.00 66.02 66.86 2yqq s SER 35 CO 0.29 -0.30 2.00 0.58 0.98 0.00 0.00 173.24 176.79 2yqq h VAL 36 N 1.82 0.85 0.07 5.02 2.07 -1.99 -2.33 116.25 121.75 2yqq h VAL 36 Ca -0.43 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2yqq h VAL 36 Cb 1.25 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2yqq h VAL 36 CO 0.70 0.04 -0.26 0.58 0.02 0.00 0.00 177.57 178.65 2yqq h VAL 37 N 0.22 0.42 0.00 2.57 2.07 -1.99 0.39 116.25 119.92 2yqq h VAL 37 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2yqq h VAL 37 Cb 0.66 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2yqq h VAL 37 CO -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.52 2yqq h PHE 39 N 0.00 0.58 0.19 0.00 3.57 -1.00 -3.30 116.94 116.97 2yqq h PHE 39 Ca -0.00 -0.42 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 2yqq h PHE 39 Cb 0.06 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2yqq h PHE 39 CO 0.00 1.35 -0.27 0.00 -2.23 0.00 0.00 178.31 177.15 2yqq h ARG 40 N 0.09 -0.47 -0.55 1.11 3.08 0.63 0.35 114.38 118.62 2yqq h ARG 40 Ca -0.17 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.07 2yqq h ARG 40 Cb 2.01 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 32.15 2yqq h ARG 40 CO 0.21 -0.31 0.64 0.87 -1.07 0.00 0.00 179.97 180.31 2yqq h LYS 41 N -0.48 0.00 0.03 0.04 1.57 -1.70 0.44 116.57 116.47 2yqq h LYS 41 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2yqq h LYS 41 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2yqq h LYS 41 CO -0.08 0.00 -0.19 1.25 -0.57 0.00 0.00 179.45 179.86 2yqq h HIS 42 N 0.00 0.13 -1.25 -1.35 -0.00 -1.23 -3.30 115.15 108.15 2yqq h HIS 42 Ca 0.26 -0.09 0.36 0.00 -0.00 0.00 0.00 60.37 60.90 2yqq h HIS 42 Cb 1.54 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 28.86 2yqq h HIS 42 CO 0.00 1.06 0.85 -0.22 -0.00 0.00 0.00 177.93 179.62 2yqq h LYS 43 N -0.84 0.15 -0.86 5.26 1.63 0.19 0.71 116.57 122.80 2yqq h LYS 43 Ca -0.03 -0.01 0.16 0.00 -0.85 0.00 0.00 60.65 59.92 2yqq h LYS 43 Cb 1.14 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.67 2yqq h LYS 43 CO 0.04 0.10 0.56 1.05 -3.45 0.00 0.00 179.45 177.74 2yqq h GLU 44 N 0.15 0.54 0.00 1.90 4.11 -1.59 -2.55 114.58 117.14 2yqq h GLU 44 Ca 0.67 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 60.03 2yqq h GLU 44 Cb 2.23 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 31.28 2yqq h GLU 44 CO -0.20 0.36 -0.48 0.00 0.07 0.00 0.00 179.01 178.76 2yqq n GLN 45 N -4.53 0.71 -1.60 1.06 -0.00 0.20 -5.06 117.38 108.16 2yqq n GLN 45 Ca 0.17 -2.18 -0.44 0.00 -0.00 0.00 0.00 57.00 54.55 2yqq n GLN 45 Cb 0.54 -0.92 -0.04 0.00 -0.00 0.00 0.00 30.24 29.82 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 7.19 4.71 1.08 0.00 0.01 -1.26 -5.01 114.94 121.66 2yqq s ASN 47 Ca 0.99 -1.75 -0.07 0.00 -0.71 0.00 0.00 52.86 51.32 2yqq s ASN 47 Cb -0.44 -1.63 0.10 0.00 0.41 0.00 0.00 41.25 39.69 2yqq s ASN 47 CO 0.39 -0.31 0.34 -0.81 -1.51 0.00 0.00 177.10 175.21 2yqq n PRO 48 N 4.39 -1.69 -3.61 -0.60 -0.04 -1.26 -4.77 135.00 127.42 2yqq n PRO 48 Ca -0.05 -0.55 -0.40 0.00 -0.04 0.00 0.00 63.50 62.45 2yqq n PRO 48 Cb 0.42 -0.52 -0.11 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.78 2.77 -0.17 0.54 1.03 -1.26 -4.91 118.70 112.91 2yqq s GLU 49 Ca 0.22 -1.16 -0.05 0.00 0.03 0.00 0.00 54.97 54.01 2yqq s GLU 49 Cb -0.02 -3.72 -0.09 0.00 -0.80 0.00 0.00 34.13 29.50 2yqq s GLU 49 CO 0.17 -0.75 -0.20 0.25 -1.33 0.00 0.00 175.26 173.41 2yqq n THR 50 N 4.97 0.95 -2.68 1.83 -2.24 -1.26 -4.97 114.28 110.87 2yqq n THR 50 Ca -0.12 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2yqq n THR 50 Cb 0.45 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 2yqq n THR 50 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2yqq s SER 51 N -6.23 7.33 0.00 3.42 0.01 -1.26 -4.62 113.70 112.35 2yqq s SER 51 Ca -0.24 1.67 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2yqq s SER 51 Cb 0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2yqq s SER 51 CO 0.33 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2yqq n GLY 52 N 2.95 -0.12 3.67 3.44 0.00 -1.26 -5.10 105.19 108.77 2yqq n GLY 52 Ca 0.07 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.21 0.14 1.61 0.04 -1.26 -4.82 135.00 134.92 2yqq s PRO 53 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2yqq s PRO 53 Cb 0.00 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2yqq s PRO 53 CO 0.00 -0.76 0.00 0.45 0.04 0.00 0.00 177.00 176.73 2yqq n SER 54 N 6.64 0.14 -1.88 6.66 2.88 -1.26 -4.85 113.62 121.94 2yqq n SER 54 Ca 0.16 0.24 -0.10 0.00 -1.33 0.00 0.00 58.87 57.84 2yqq n SER 54 Cb 0.43 0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2yqq n SER 54 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yqq n SER 55 N -3.17 5.36 0.00 -3.46 3.41 -1.26 -5.31 113.62 109.19 2yqq n SER 55 Ca 0.00 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 2yqq n SER 55 Cb 0.06 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49