#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s LYS 2 N 0.00 4.52 -0.09 0.03 2.20 -0.63 -4.37 119.74 121.41 2wwq s LYS 2 Ca 0.00 1.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.56 2wwq s LYS 2 Cb 0.00 -3.18 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 2wwq s LYS 2 CO 0.00 0.02 -0.16 0.08 -0.36 0.00 0.00 175.35 174.93 2wwq s VAL 3 N -0.79 1.49 0.37 4.02 1.01 -1.26 -0.95 120.40 124.29 2wwq s VAL 3 Ca 0.48 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2wwq s VAL 3 Cb -0.34 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2wwq s VAL 3 CO 0.42 0.44 0.65 -0.13 0.00 0.00 0.00 175.10 176.48 2wwq s ARG 4 N 0.77 2.10 -0.10 2.72 1.81 -0.90 -5.00 118.95 120.35 2wwq s ARG 4 Ca -0.11 -1.58 -0.14 0.00 -1.72 0.00 0.00 55.73 52.18 2wwq s ARG 4 Cb -0.16 0.55 -0.12 0.00 -0.45 0.00 0.00 34.95 34.77 2wwq s ARG 4 CO 0.02 -0.94 0.43 0.00 -0.68 0.00 0.00 175.30 174.13 2wwq h ALA 5 N 2.04 -0.05 -2.97 2.13 0.00 -1.99 -3.37 119.26 115.06 2wwq h ALA 5 Ca -0.30 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 2wwq h ALA 5 Cb 1.25 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.83 2wwq h ALA 5 CO 0.40 -0.06 -0.50 -1.12 0.00 0.00 0.00 179.25 177.96 2wwq s SER 6 N -5.76 -0.05 0.00 0.00 0.01 -1.26 -3.65 113.70 102.99 2wwq s SER 6 Ca -0.09 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2wwq s SER 6 Cb -0.01 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2wwq s SER 6 CO 0.33 -0.25 0.02 0.55 0.41 0.00 0.00 173.24 174.29 2wwq n VAL 7 N 2.03 0.00 -4.97 3.43 3.14 -1.26 -4.94 118.33 115.76 2wwq n VAL 7 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2wwq n VAL 7 Cb 0.57 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 2wwq n VAL 7 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2wwq n LYS 8 N 0.00 0.00 -2.32 1.45 5.02 -1.26 -4.72 118.16 116.33 2wwq n LYS 8 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2wwq n LYS 8 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 2wwq n LYS 8 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wwq s LYS 9 N 0.00 3.28 0.00 1.97 -2.85 -1.26 -4.91 119.74 115.97 2wwq s LYS 9 Ca 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2wwq s LYS 9 Cb 0.00 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 2wwq s LYS 9 CO 0.00 -0.53 0.00 1.28 0.10 0.00 0.00 175.35 176.20 2wwq n LEU 10 N -2.55 0.00 0.00 2.77 4.77 -1.26 -5.11 117.00 115.62 2wwq n LEU 10 Ca 0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2wwq n LEU 10 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2wwq n LEU 10 CO 0.55 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.74 2wwq n ARG 12 N -0.14 1.85 -1.53 0.00 1.85 -1.26 -3.45 116.66 113.98 2wwq n ARG 12 Ca -0.02 -1.30 -0.16 0.00 -1.00 0.00 0.00 57.85 55.37 2wwq n ARG 12 Cb 0.16 -1.37 0.09 0.00 -1.05 0.00 0.00 32.46 30.28 2wwq n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wwq n ASN 13 N 0.53 4.12 -3.93 2.89 3.02 -1.26 -4.93 115.26 115.69 2wwq n ASN 13 Ca 0.15 -3.80 -0.29 0.00 -0.03 0.00 0.00 54.58 50.61 2wwq n ASN 13 Cb 0.35 -0.45 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 2wwq n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwq n LYS 15 N 4.76 0.68 -2.00 0.00 5.02 -1.07 -4.88 118.16 120.68 2wwq n LYS 15 Ca -0.13 0.18 -0.02 0.00 -2.02 0.00 0.00 58.31 56.32 2wwq n LYS 15 Cb 0.46 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 2wwq n LYS 15 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2wwq n ILE 16 N -3.11 -7.28 -4.51 -0.18 5.41 -1.26 -4.98 119.36 103.45 2wwq n ILE 16 Ca -0.31 1.17 -0.34 0.00 1.00 0.00 0.00 62.75 64.28 2wwq n ILE 16 Cb 1.07 -4.98 -0.11 0.00 -0.71 0.00 0.00 39.64 34.91 2wwq n ILE 16 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2wwq s VAL 17 N -0.39 3.91 -0.28 1.39 -7.23 -0.55 -4.92 120.40 112.33 2wwq s VAL 17 Ca -0.10 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2wwq s VAL 17 Cb 0.01 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.34 2wwq s VAL 17 CO 0.36 0.57 0.00 -0.75 -0.31 0.00 0.00 175.10 174.98 2wwq s LYS 18 N -0.54 2.78 -0.17 4.82 2.20 -1.26 0.10 119.74 127.68 2wwq s LYS 18 Ca 0.08 -1.04 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 2wwq s LYS 18 Cb -0.12 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 2wwq s LYS 18 CO 0.02 -0.49 -0.13 1.03 -0.36 0.00 0.00 175.35 175.42 2wwq s ARG 19 N 1.36 2.22 3.11 4.03 0.52 -1.25 -4.98 118.95 123.96 2wwq s ARG 19 Ca -0.01 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2wwq s ARG 19 Cb -0.18 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2wwq s ARG 19 CO -0.01 -0.30 0.00 -0.25 0.02 0.00 0.00 175.30 174.76 2wwq n ASP 20 N 4.74 -1.85 0.10 0.23 9.92 -1.26 -4.11 116.55 124.32 2wwq n ASP 20 Ca -0.16 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.08 2wwq n ASP 20 Cb 0.49 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.18 2wwq n ASP 20 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2wwq h GLY 21 N 0.00 0.23 -1.66 0.44 0.00 -2.02 -3.43 103.07 96.63 2wwq h GLY 21 Ca 0.00 -0.23 -0.51 0.00 0.00 0.00 0.00 47.33 46.59 2wwq h GLY 21 CO 0.00 0.20 0.37 -1.34 0.00 0.00 0.00 176.54 175.77 2wwq s VAL 22 N -4.06 3.09 -0.30 4.60 -7.23 -1.26 -5.04 120.40 110.21 2wwq s VAL 22 Ca -0.04 0.49 0.02 0.00 -1.81 0.00 0.00 61.98 60.64 2wwq s VAL 22 Cb 0.13 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 34.16 2wwq s VAL 22 CO 0.77 -0.33 0.00 -0.63 -0.31 0.00 0.00 175.10 174.60 2wwq s ILE 23 N -2.36 1.91 0.85 -0.62 1.01 -1.25 -3.86 121.20 116.89 2wwq s ILE 23 Ca 0.67 -1.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.40 2wwq s ILE 23 Cb -0.21 -2.29 0.18 0.00 0.01 0.00 0.00 42.46 40.15 2wwq s ILE 23 CO 0.44 -0.40 1.16 -0.13 0.00 0.00 0.00 174.94 176.01 2wwq s ARG 24 N 1.14 1.05 -0.05 2.79 0.52 0.12 -3.45 118.95 121.05 2wwq s ARG 24 Ca 0.04 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 2wwq s ARG 24 Cb -0.19 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.20 2wwq s ARG 24 CO -0.09 -1.99 0.10 0.08 0.02 0.00 0.00 175.30 173.41 2wwq s VAL 25 N -3.51 -0.15 0.28 3.52 1.01 -0.54 -1.48 120.40 119.53 2wwq s VAL 25 Ca 0.71 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 2wwq s VAL 25 Cb -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 2wwq s VAL 25 CO 0.49 0.16 0.65 -0.63 0.00 0.00 0.00 175.10 175.76 2wwq s ILE 26 N 2.09 4.81 -0.00 2.22 -1.09 -1.26 -2.78 121.20 125.18 2wwq s ILE 26 Ca 0.03 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 2wwq s ILE 26 Cb -0.12 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2wwq s ILE 26 CO -0.04 -0.15 -0.02 0.00 -1.23 0.00 0.00 174.94 173.50 2wwq h SER 28 N 6.18 0.46 0.00 0.00 0.02 -1.98 -3.43 113.55 114.80 2wwq h SER 28 Ca -0.27 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2wwq h SER 28 Cb 1.20 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2wwq h SER 28 CO 0.50 0.55 0.00 0.00 -1.14 0.00 0.00 176.83 176.75 2wwq n ALA 29 N -2.30 0.00 -1.77 3.77 0.00 -1.26 -4.98 120.51 113.97 2wwq n ALA 29 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2wwq n ALA 29 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2wwq n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wwq s GLU 30 N 1.17 4.13 0.22 0.00 2.02 -1.26 -4.95 118.70 120.04 2wwq s GLU 30 Ca 0.00 2.57 0.09 0.00 0.02 0.00 0.00 54.97 57.65 2wwq s GLU 30 Cb 0.00 -3.05 0.17 0.00 0.10 0.00 0.00 34.13 31.35 2wwq s GLU 30 CO 0.00 -0.67 1.50 -1.35 0.02 0.00 0.00 175.26 174.77 2wwq h PRO 31 N 5.67 0.00 0.00 0.39 0.11 -1.93 -3.00 132.00 133.24 2wwq h PRO 31 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wwq h PRO 31 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wwq h PRO 31 CO 0.86 0.74 0.00 0.36 -0.21 0.00 0.00 178.00 179.75 2wwq n LYS 32 N -3.65 0.05 0.00 1.05 2.85 -1.26 -2.23 118.16 114.98 2wwq n LYS 32 Ca -0.01 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.88 2wwq n LYS 32 Cb 0.72 -1.66 0.19 0.00 -0.65 0.00 0.00 35.03 33.63 2wwq n LYS 32 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2wwq n HIS 33 N -1.78 0.00 -2.62 5.58 8.25 -1.13 -4.81 115.22 118.71 2wwq n HIS 33 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2wwq n HIS 33 Cb 0.05 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 2wwq n HIS 33 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2wwq s LYS 34 N -2.96 4.53 0.12 -0.41 1.02 -0.95 -4.88 119.74 116.22 2wwq s LYS 34 Ca 0.12 1.53 0.08 0.00 0.02 0.00 0.00 55.97 57.72 2wwq s LYS 34 Cb 0.17 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2wwq s LYS 34 CO 0.72 -0.10 -0.15 -0.65 -0.92 0.00 0.00 175.35 174.24 2wwq s GLN 35 N 0.99 1.91 -0.20 1.68 -1.52 -1.12 -1.60 119.66 119.80 2wwq s GLN 35 Ca 0.54 -1.15 -0.22 0.00 -1.95 0.00 0.00 55.36 52.57 2wwq s GLN 35 Cb -0.24 -2.17 -0.20 0.00 -0.22 0.00 0.00 33.01 30.18 2wwq s GLN 35 CO 0.28 0.48 0.29 -0.09 -0.25 0.00 0.00 175.29 176.01 2wwq h ARG 36 N 3.59 0.00 -3.50 2.91 2.43 -1.24 -1.43 114.38 117.14 2wwq h ARG 36 Ca -0.49 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.44 2wwq h ARG 36 Cb 1.17 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.42 2wwq h ARG 36 CO 0.49 0.98 -0.66 -1.14 -1.51 0.00 0.00 179.97 178.13 2wwq s GLN 37 N -2.33 0.05 0.00 0.20 0.74 -1.25 -3.18 119.66 113.89 2wwq s GLN 37 Ca -0.27 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.31 2wwq s GLN 37 Cb 0.04 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.07 2wwq s GLN 37 CO 0.60 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.67