#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s LYS 4 N 0.00 3.52 -0.14 0.38 -2.85 -1.26 -5.02 119.74 114.37 2qbd s LYS 4 Ca 0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 55.97 54.78 2qbd s LYS 4 Cb 0.00 -3.20 0.05 0.00 -2.06 0.00 0.00 37.83 32.62 2qbd s LYS 4 CO 0.00 0.72 0.08 0.08 0.10 0.00 0.00 175.35 176.33 2qbd s VAL 5 N -0.85 -0.07 -0.35 1.79 1.01 -1.26 -5.09 120.40 115.58 2qbd s VAL 5 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2qbd s VAL 5 Cb -0.12 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 35.89 2qbd s VAL 5 CO 0.03 -0.16 0.17 -0.60 0.00 0.00 0.00 175.10 174.54 2qbd s ARG 6 N 2.14 0.73 -0.27 2.72 3.52 -1.26 -5.11 118.95 121.40 2qbd s ARG 6 Ca 0.03 -1.28 -0.10 0.00 -0.13 0.00 0.00 55.73 54.25 2qbd s ARG 6 Cb -0.15 -1.76 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 2qbd s ARG 6 CO -0.07 -1.09 0.17 -1.21 -0.81 0.00 0.00 175.30 172.28 2qbd s GLU 7 N 1.25 3.89 0.91 5.12 2.02 -1.26 -5.08 118.70 125.55 2qbd s GLU 7 Ca 0.14 -0.35 -0.11 0.00 0.02 0.00 0.00 54.97 54.67 2qbd s GLU 7 Cb -0.20 -3.59 0.14 0.00 0.10 0.00 0.00 34.13 30.57 2qbd s GLU 7 CO -0.14 -0.18 1.11 1.21 0.02 0.00 0.00 175.26 177.28 2qbd s ASN 8 N 1.72 3.13 -0.05 -0.19 2.47 -1.26 -4.67 114.94 116.09 2qbd s ASN 8 Ca 0.07 1.94 -0.04 0.00 0.42 0.00 0.00 52.86 55.25 2qbd s ASN 8 Cb -0.16 -2.48 0.02 0.00 -1.45 0.00 0.00 41.25 37.18 2qbd s ASN 8 CO 0.09 -2.93 0.08 1.21 -3.72 0.00 0.00 177.10 171.84 2qbd n GLU 9 N -4.11 -3.28 -1.66 0.43 4.07 -1.26 -4.83 120.64 110.00 2qbd n GLU 9 Ca 0.10 2.58 -0.42 0.00 -0.06 0.00 0.00 57.16 59.36 2qbd n GLU 9 Cb 0.53 -3.50 -0.03 0.00 -0.06 0.00 0.00 31.44 28.38 2qbd n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2qbd s PRO 10 N -0.95 3.93 0.00 5.31 0.04 -1.26 -4.77 135.00 137.30 2qbd s PRO 10 Ca -0.09 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2qbd s PRO 10 Cb 0.01 -4.21 0.06 0.00 0.04 0.00 0.00 34.50 30.40 2qbd s PRO 10 CO 0.25 -1.19 0.85 1.97 0.04 0.00 0.00 177.00 178.92 2qbd n PHE 11 N 8.39 0.00 -2.39 0.56 1.16 -1.26 -5.06 117.46 118.86 2qbd n PHE 11 Ca 0.22 -0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 2qbd n PHE 11 Cb 0.42 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 2qbd n PHE 11 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2qbd n ASP 12 N 0.07 0.00 -4.15 5.98 5.68 -1.26 -4.88 116.55 117.98 2qbd n ASP 12 Ca -0.03 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.92 2qbd n ASP 12 Cb 0.69 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.53 2qbd n ASP 12 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2qbd s VAL 13 N -2.19 2.78 0.19 2.12 0.11 -1.26 -5.03 120.40 117.11 2qbd s VAL 13 Ca 0.00 -1.39 -0.18 0.00 -2.93 0.00 0.00 61.98 57.48 2qbd s VAL 13 Cb 0.00 -2.58 0.14 0.00 -1.53 0.00 0.00 36.38 32.42 2qbd s VAL 13 CO 0.00 -0.04 1.62 0.00 -3.33 0.00 0.00 175.10 173.35 2qbd h ALA 14 N 7.95 0.13 -5.25 1.54 0.00 -2.05 -3.47 119.26 118.09 2qbd h ALA 14 Ca -0.22 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 2qbd h ALA 14 Cb 1.06 0.57 0.18 0.00 0.00 0.00 0.00 17.79 19.60 2qbd h ALA 14 CO 0.52 -0.57 -0.77 -0.11 0.00 0.00 0.00 179.25 178.32 2qbd n LEU 15 N -5.41 -5.11 -0.16 0.00 -0.00 -1.26 -4.88 117.00 100.18 2qbd n LEU 15 Ca 0.04 -0.64 0.04 0.00 -0.00 0.00 0.00 56.01 55.45 2qbd n LEU 15 Cb 0.32 -2.97 0.16 0.00 -0.00 0.00 0.00 43.42 40.93 2qbd n LEU 15 CO 0.07 0.13 0.61 0.54 -0.00 0.00 0.00 177.39 178.74 2qbd n ARG 16 N -3.21 1.20 -0.25 1.96 3.00 -1.26 -4.10 116.66 114.00 2qbd n ARG 16 Ca -0.10 -0.31 -0.06 0.00 -0.01 0.00 0.00 57.85 57.38 2qbd n ARG 16 Cb 0.62 -1.13 0.05 0.00 0.00 0.00 0.00 32.46 31.99 2qbd n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbd h ARG 17 N 0.53 0.98 0.78 5.56 2.47 -1.91 -2.31 114.38 120.48 2qbd h ARG 17 Ca 0.00 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 2qbd h ARG 17 Cb 0.12 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2qbd h ARG 17 CO 0.00 0.74 -0.46 0.74 0.56 0.00 0.00 179.97 181.55 2qbd h PHE 18 N 0.97 -1.23 -0.95 3.04 0.05 -1.98 -0.34 116.94 116.50 2qbd h PHE 18 Ca 0.25 -0.01 0.14 0.00 3.82 0.00 0.00 57.97 62.17 2qbd h PHE 18 Cb 0.05 0.43 -0.09 0.00 2.00 0.00 0.00 35.95 38.34 2qbd h PHE 18 CO -0.00 -0.70 0.57 0.87 -0.18 0.00 0.00 178.31 178.87 2qbd h LYS 19 N -1.16 0.80 -1.06 1.51 6.56 -1.85 0.42 116.57 121.80 2qbd h LYS 19 Ca -0.10 -0.05 -0.33 0.00 -1.06 0.00 0.00 60.65 59.10 2qbd h LYS 19 Cb 0.92 -0.18 -0.19 0.00 -0.57 0.00 0.00 32.23 32.21 2qbd h LYS 19 CO 0.11 0.53 0.43 0.54 -2.06 0.00 0.00 179.45 179.00 2qbd n ARG 20 N -4.73 1.81 0.00 3.15 1.74 -0.87 -3.70 116.66 114.06 2qbd n ARG 20 Ca 0.19 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.40 2qbd n ARG 20 Cb 0.43 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2qbd n ARG 20 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbd n SER 21 N -0.43 1.48 0.00 0.55 2.88 0.14 -4.92 113.62 113.31 2qbd n SER 21 Ca 0.37 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2qbd n SER 21 Cb 1.12 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 65.50 2qbd n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbd n GLU 23 N -1.47 1.62 0.00 0.00 -0.58 -1.25 -4.55 120.64 114.42 2qbd n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbd n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbd n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbd n LYS 24 N 0.00 0.00 -0.84 3.49 0.00 -1.25 -4.59 118.16 114.96 2qbd n LYS 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.97 2qbd n LYS 24 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 2qbd n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbd n ALA 25 N 5.51 -3.79 0.00 3.14 0.00 -1.26 -2.30 120.51 121.80 2qbd n ALA 25 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2qbd n ALA 25 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2qbd n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbd n GLY 26 N 2.22 2.28 0.08 0.00 0.00 -1.26 -4.50 105.19 104.01 2qbd n GLY 26 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2qbd n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbd n VAL 27 N 0.00 1.15 -0.09 1.61 0.31 -0.97 -3.76 118.33 116.58 2qbd n VAL 27 Ca 0.00 -0.77 -0.16 0.00 -0.01 0.00 0.00 64.34 63.40 2qbd n VAL 27 Cb 0.00 -0.43 -0.10 0.00 -0.91 0.00 0.00 33.84 32.41 2qbd n VAL 27 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qbd h LEU 28 N 0.00 0.00 -2.08 7.52 3.38 -1.76 -3.23 115.31 119.14 2qbd h LEU 28 Ca -0.45 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.06 2qbd h LEU 28 Cb 2.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2qbd h LEU 28 CO 0.02 1.20 0.19 0.00 0.09 0.00 0.00 178.44 179.95 2qbd h ALA 29 N -0.48 2.12 -0.04 1.53 0.00 -1.86 0.43 119.26 120.96 2qbd h ALA 29 Ca -0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2qbd h ALA 29 Cb 1.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2qbd h ALA 29 CO -0.12 -0.32 -0.53 1.49 0.00 0.00 0.00 179.25 179.78 2qbd h GLU 30 N 0.00 0.10 -0.00 0.00 4.81 -1.68 -3.19 114.58 114.62 2qbd h GLU 30 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2qbd h GLU 30 Cb 0.50 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2qbd h GLU 30 CO -0.00 0.61 -0.79 0.28 -0.73 0.00 0.00 179.01 178.38 2qbd n VAL 31 N -3.92 0.00 0.00 0.32 0.31 0.48 -4.69 118.33 110.84 2qbd n VAL 31 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2qbd n VAL 31 Cb 0.55 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.54 2qbd n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qbd n ARG 32 N -1.11 0.00 0.00 5.55 0.63 0.12 -4.69 116.66 117.16 2qbd n ARG 32 Ca 0.05 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 2qbd n ARG 32 Cb 0.33 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2qbd n ARG 32 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qbd n ARG 33 N -2.70 0.59 -0.43 -0.14 1.74 -1.26 -5.04 116.66 109.42 2qbd n ARG 33 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2qbd n ARG 33 Cb 0.00 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.63 2qbd n ARG 33 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2qbd n ARG 34 N -0.37 -3.08 0.00 5.56 -4.01 -1.26 -5.02 116.66 108.47 2qbd n ARG 34 Ca 0.00 -0.91 0.00 0.00 -1.04 0.00 0.00 57.85 55.90 2qbd n ARG 34 Cb 0.00 -1.60 0.00 0.00 -3.04 0.00 0.00 32.46 27.82 2qbd n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qbd n GLU 35 N -3.00 0.00 0.10 2.89 -0.58 -1.26 -4.89 120.64 113.89 2qbd n GLU 35 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2qbd n GLU 35 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2qbd n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbd n PHE 36 N 0.00 -3.15 0.00 -0.32 3.01 -1.26 -5.01 117.46 110.72 2qbd n PHE 36 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 57.45 59.13 2qbd n PHE 36 Cb 0.00 1.90 0.00 0.00 -0.01 0.00 0.00 39.48 41.37 2qbd n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2qbd n TYR 37 N -2.98 0.00 -0.03 1.38 0.53 -1.26 -2.59 117.16 112.21 2qbd n TYR 37 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.83 2qbd n TYR 37 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.18 2qbd n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 2qbd n GLU 38 N 0.00 0.64 0.06 -0.72 -0.00 -1.26 -4.27 120.64 115.09 2qbd n GLU 38 Ca 0.00 0.17 0.07 0.00 -0.00 0.00 0.00 57.16 57.40 2qbd n GLU 38 Cb 0.00 -1.71 0.51 0.00 -0.00 0.00 0.00 31.44 30.24 2qbd n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2qbd h LYS 39 N 0.00 0.34 -0.10 3.44 1.57 -1.92 -3.07 116.57 116.83 2qbd h LYS 39 Ca -0.30 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 2qbd h LYS 39 Cb 1.90 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2qbd h LYS 39 CO 0.05 0.22 -0.39 -1.00 -0.57 0.00 0.00 179.45 177.77 2qbd h PRO 40 N 0.35 0.43 0.00 3.15 0.13 -1.78 0.16 132.00 134.44 2qbd h PRO 40 Ca 0.13 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2qbd h PRO 40 Cb 0.08 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.28 2qbd h PRO 40 CO -0.03 0.97 0.01 2.41 -0.23 0.00 0.00 178.00 181.12 2qbd n THR 41 N -4.34 1.20 0.00 1.56 -1.04 -1.16 -2.27 114.28 108.23 2qbd n THR 41 Ca -0.08 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2qbd n THR 41 Cb 0.53 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 2qbd n THR 41 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qbd n THR 42 N -1.30 0.00 -0.48 12.58 -2.24 -1.18 -4.47 114.28 117.19 2qbd n THR 42 Ca 0.00 0.00 0.41 0.00 -2.27 0.00 0.00 64.05 62.19 2qbd n THR 42 Cb 0.01 -0.42 0.68 0.00 -2.10 0.00 0.00 70.33 68.50 2qbd n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbd n GLU 43 N -1.36 -0.03 -0.06 -0.78 4.07 0.55 0.20 120.64 123.23 2qbd n GLU 43 Ca 0.00 1.22 -0.14 0.00 -0.06 0.00 0.00 57.16 58.18 2qbd n GLU 43 Cb 0.00 -2.43 -0.13 0.00 -0.06 0.00 0.00 31.44 28.82 2qbd n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbd h ARG 44 N 0.00 0.01 0.00 5.31 -0.00 -1.55 -3.26 114.38 114.90 2qbd h ARG 44 Ca 0.87 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 60.33 2qbd h ARG 44 Cb 2.87 0.01 0.00 0.00 0.00 0.00 0.00 29.97 32.85 2qbd h ARG 44 CO -0.42 0.99 0.00 1.63 0.00 0.00 0.00 179.97 182.17 2qbd n LYS 45 N -4.60 0.02 -0.00 0.04 5.02 0.24 -1.25 118.16 117.63 2qbd n LYS 45 Ca -0.10 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 2qbd n LYS 45 Cb 0.48 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.75 2qbd n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbd n ARG 46 N -1.48 1.03 0.00 1.97 1.74 0.53 -2.71 116.66 117.74 2qbd n ARG 46 Ca 0.03 -0.05 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 2qbd n ARG 46 Cb 0.14 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 2qbd n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbd h ALA 47 N 3.83 0.71 -0.10 7.54 0.00 -1.32 -3.31 119.26 126.60 2qbd h ALA 47 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 54.91 53.56 2qbd h ALA 47 Cb 0.02 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qbd h ALA 47 CO 0.00 1.38 -0.38 1.57 0.00 0.00 0.00 179.25 181.82 2qbd h LYS 48 N 0.00 0.21 0.00 0.00 5.09 -1.69 0.70 116.57 120.88 2qbd h LYS 48 Ca -0.23 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.42 2qbd h LYS 48 Cb 1.88 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.20 2qbd h LYS 48 CO 0.07 0.57 0.00 0.00 -2.09 0.00 0.00 179.45 178.00 2qbd h ALA 49 N 1.43 1.00 0.00 0.07 0.00 -1.68 0.23 119.26 120.31 2qbd h ALA 49 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.52 2qbd h ALA 49 Cb 0.76 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2qbd h ALA 49 CO 0.06 0.00 -2.42 0.45 0.00 0.00 0.00 179.25 177.34 2qbd n SER 50 N -2.66 1.93 -0.12 0.00 2.88 -0.17 -4.42 113.62 111.06 2qbd n SER 50 Ca -0.01 0.15 0.17 0.00 -1.33 0.00 0.00 58.87 57.85 2qbd n SER 50 Cb 0.12 -0.62 0.55 0.00 -0.75 0.00 0.00 64.21 63.51 2qbd n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbd h ALA 51 N -0.58 2.21 -0.72 -1.46 0.00 0.74 0.04 119.26 119.49 2qbd h ALA 51 Ca -0.61 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.37 2qbd h ALA 51 Cb 1.67 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 2qbd h ALA 51 CO -0.28 -0.40 0.39 -0.24 0.00 0.00 0.00 179.25 178.72 2qbd h VAL 52 N 0.31 0.92 0.00 0.00 3.04 -1.17 -3.50 116.25 115.85 2qbd h VAL 52 Ca 0.34 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2qbd h VAL 52 Cb 0.89 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2qbd h VAL 52 CO -0.09 0.13 0.00 1.17 -1.01 0.00 0.00 177.57 177.77