#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7d s VAL 2 N 0.00 1.23 0.00 2.03 0.11 -1.26 -5.01 120.40 117.50 1h7d s VAL 2 Ca 0.00 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 57.28 1h7d s VAL 2 Cb 0.00 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 1h7d s VAL 2 CO 0.00 -0.51 0.00 0.00 -3.33 0.00 0.00 175.10 171.26 1h7d n ALA 3 N 0.40 -2.58 -0.13 1.54 0.00 -1.26 -4.93 120.51 113.56 1h7d n ALA 3 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1h7d n ALA 3 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d h ALA 4 N 0.00 -0.43 -4.94 0.00 0.00 -2.10 -3.47 119.26 108.32 1h7d h ALA 4 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h7d h ALA 4 Cb 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1h7d h ALA 4 CO 0.00 -0.60 -1.00 0.00 0.00 0.00 0.00 179.25 177.66 1h7d n ALA 5 N -3.00 -3.49 -2.71 0.00 0.00 -1.26 -5.05 120.51 105.00 1h7d n ALA 5 Ca -0.01 0.72 -0.01 0.00 0.00 0.00 0.00 53.44 54.14 1h7d n ALA 5 Cb 0.15 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1h7d n ALA 5 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1h7d s MET 6 N -1.39 0.19 0.26 0.00 -2.45 -1.26 -5.02 119.30 109.63 1h7d s MET 6 Ca -0.04 -0.14 -0.05 0.00 -1.25 0.00 0.00 55.69 54.22 1h7d s MET 6 Cb 0.00 0.00 0.30 0.00 1.25 0.00 0.00 34.83 36.38 1h7d s MET 6 CO 0.73 -0.25 1.89 -0.07 1.05 0.00 0.00 175.02 178.37 1h7d h LEU 7 N 4.76 1.06 -1.69 4.11 3.38 -2.05 -3.48 115.31 121.39 1h7d h LEU 7 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1h7d h LEU 7 Cb 1.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1h7d h LEU 7 CO -0.09 0.83 0.00 -0.11 0.09 0.00 0.00 178.44 179.15 1h7d n LEU 8 N -4.35 -1.31 0.00 1.67 0.00 -1.26 -5.08 117.00 106.67 1h7d n LEU 8 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1h7d n LEU 8 Cb 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 43.42 42.85 1h7d n LEU 8 CO 0.38 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.66 1h7d n ARG 9 N 0.63 0.00 -3.38 1.96 0.00 -1.26 -5.05 116.66 109.56 1h7d n ARG 9 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 1h7d n ARG 9 Cb 0.00 -0.04 0.08 0.00 -0.00 0.00 0.00 32.46 32.50 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1h7d n SER 10 N -1.96 -3.53 -2.72 2.89 2.88 -1.26 -4.11 113.62 105.82 1h7d n SER 10 Ca 0.00 -0.54 -0.02 0.00 -1.33 0.00 0.00 58.87 56.98 1h7d n SER 10 Cb 0.00 -4.69 -0.02 0.00 -0.75 0.00 0.00 64.21 58.75 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d s PRO 12 N -1.12 1.21 0.00 0.00 0.04 -1.26 -4.98 135.00 128.89 1h7d s PRO 12 Ca -0.12 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1h7d s PRO 12 Cb 0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1h7d s PRO 12 CO 0.71 -2.16 0.00 0.28 0.04 0.00 0.00 177.00 175.87 1h7d n VAL 13 N -3.74 0.00 0.00 -0.36 0.31 -1.26 -5.03 118.33 108.25 1h7d n VAL 13 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1h7d n VAL 13 Cb 0.59 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1h7d n LEU 14 N -2.05 0.00 -2.52 7.52 7.94 -1.26 -4.76 117.00 121.87 1h7d n LEU 14 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1h7d n LEU 14 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1h7d n LEU 14 CO 0.00 0.00 -0.56 -0.24 -1.11 0.00 0.00 177.39 175.48 1h7d n SER 15 N 1.81 -4.09 -3.46 1.96 2.88 -1.26 -4.50 113.62 106.96 1h7d n SER 15 Ca 0.00 1.53 -0.37 0.00 -1.33 0.00 0.00 58.87 58.70 1h7d n SER 15 Cb 0.00 -4.99 0.04 0.00 -0.75 0.00 0.00 64.21 58.51 1h7d n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n GLN 16 N 1.83 -1.80 -0.01 -1.46 3.00 -1.26 -4.95 117.38 112.72 1h7d n GLN 16 Ca -0.24 1.36 -0.00 0.00 -0.01 0.00 0.00 57.00 58.10 1h7d n GLN 16 Cb 0.37 -1.90 -0.00 0.00 0.00 0.00 0.00 30.24 28.71 1h7d n GLN 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1h7d h GLY 17 N 2.14 0.00 -5.14 1.08 0.00 -1.91 -3.46 103.07 95.78 1h7d h GLY 17 Ca -0.54 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.22 1h7d h GLY 17 CO 0.21 0.00 0.91 2.56 0.00 0.00 0.00 176.54 180.22 1h7d s PRO 18 N -1.15 4.23 -0.07 4.80 0.04 -1.26 -4.94 135.00 136.66 1h7d s PRO 18 Ca -0.02 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1h7d s PRO 18 Cb 0.00 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 1h7d s PRO 18 CO 0.02 -0.71 0.09 1.15 0.04 0.00 0.00 177.00 177.59 1h7d h THR 19 N 5.49 0.00 -0.09 1.26 2.02 -2.02 -3.47 112.91 116.10 1h7d h THR 19 Ca -0.27 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1h7d h THR 19 Cb 1.11 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.38 1h7d h THR 19 CO 0.97 0.00 -0.12 0.61 0.37 0.00 0.00 175.52 177.35 1h7d n GLY 20 N 1.62 -1.53 2.65 2.16 0.00 -1.26 -5.04 105.19 103.79 1h7d n GLY 20 Ca -0.01 0.99 -0.38 0.00 0.00 0.00 0.00 46.02 46.62 1h7d n GLY 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1h7d n LEU 21 N 1.89 7.42 0.16 0.99 -0.00 -1.26 -4.24 117.00 121.96 1h7d n LEU 21 Ca 0.06 -4.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.15 1h7d n LEU 21 Cb 0.68 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1h7d n LEU 21 CO -0.11 1.93 0.00 -0.11 -0.00 0.00 0.00 177.39 179.10 1h7d n LEU 22 N 0.38 -2.83 -0.28 1.47 0.00 -1.26 -4.91 117.00 109.56 1h7d n LEU 22 Ca 0.53 0.71 0.34 0.00 0.00 0.00 0.00 56.01 57.58 1h7d n LEU 22 Cb 0.30 2.78 0.67 0.00 0.00 0.00 0.00 43.42 47.17 1h7d n LEU 22 CO 0.52 0.16 1.31 1.23 0.00 0.00 0.00 177.39 180.61 1h7d h GLY 23 N 0.00 0.00 0.81 -3.96 0.00 -1.90 1.33 103.07 99.35 1h7d h GLY 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1h7d h GLY 23 CO 0.00 0.00 -0.32 0.50 0.00 0.00 0.00 176.54 176.72 1h7d h LYS 24 N 0.00 0.47 0.00 4.80 6.56 -1.91 -2.89 116.57 123.59 1h7d h LYS 24 Ca 0.54 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1h7d h LYS 24 Cb 2.50 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 34.20 1h7d h LYS 24 CO -0.01 0.92 0.00 0.28 -2.06 0.00 0.00 179.45 178.59 1h7d h VAL 25 N 0.09 0.00 -2.06 0.50 2.07 0.11 -0.37 116.25 116.59 1h7d h VAL 25 Ca 0.00 -0.49 -0.78 0.00 0.82 0.00 0.00 66.70 66.25 1h7d h VAL 25 Cb 0.92 1.42 -0.27 0.00 -1.52 0.00 0.00 31.29 31.84 1h7d h VAL 25 CO 0.07 0.00 1.06 0.00 0.02 0.00 0.00 177.57 178.72 1h7d n ALA 26 N -1.86 6.42 0.00 1.67 0.00 0.15 -3.97 120.51 122.93 1h7d n ALA 26 Ca 0.04 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1h7d n ALA 26 Cb 0.38 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1h7d n ALA 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h7d n LYS 27 N -0.43 0.00 -0.02 0.00 4.81 -1.22 -4.87 118.16 116.43 1h7d n LYS 27 Ca 0.52 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.87 1h7d n LYS 27 Cb 0.24 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.25 1h7d n LYS 27 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1h7d h THR 28 N 0.00 0.88 -0.42 3.15 2.02 -1.27 -2.23 112.91 115.04 1h7d h THR 28 Ca 0.00 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1h7d h THR 28 Cb 0.00 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1h7d h THR 28 CO 0.00 0.01 -0.22 0.22 0.37 0.00 0.00 175.52 175.90 1h7d h TYR 29 N 0.03 1.02 0.00 3.16 3.20 -1.72 0.74 116.97 123.41 1h7d h TYR 29 Ca 0.07 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1h7d h TYR 29 Cb 0.09 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1h7d h TYR 29 CO -0.16 1.05 0.26 0.37 -1.64 0.00 0.00 178.16 178.03 1h7d h GLN 30 N 0.70 0.00 0.00 1.82 5.75 -1.68 0.22 115.11 121.92 1h7d h GLN 30 Ca 0.09 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.39 1h7d h GLN 30 Cb 0.79 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 1h7d h GLN 30 CO 0.06 0.00 -1.75 0.34 -2.65 0.00 0.00 178.83 174.83 1h7d n PHE 31 N -2.79 0.00 -0.28 3.99 7.35 -0.87 -4.46 117.46 120.40 1h7d n PHE 31 Ca -0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1h7d n PHE 31 Cb 0.31 -0.51 0.24 0.00 0.35 0.00 0.00 39.48 39.87 1h7d n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1h7d h LEU 32 N 0.00 0.89 0.56 -2.13 -0.00 0.13 -2.70 115.31 112.06 1h7d h LEU 32 Ca -0.29 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 1h7d h LEU 32 Cb 1.46 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1h7d h LEU 32 CO -0.04 0.59 -0.50 0.15 -0.00 0.00 0.00 178.44 178.64 1h7d h PHE 33 N 1.02 -1.38 -2.64 1.13 3.57 -0.82 -3.16 116.94 114.66 1h7d h PHE 33 Ca 0.36 0.01 -0.80 0.00 3.53 0.00 0.00 57.97 61.06 1h7d h PHE 33 Cb 0.13 0.53 -0.26 0.00 2.79 0.00 0.00 35.95 39.13 1h7d h PHE 33 CO -0.00 -0.68 0.97 0.45 -2.23 0.00 0.00 178.31 176.82 1h7d n SER 34 N -5.51 6.47 -0.67 0.41 2.88 -1.04 -4.81 113.62 111.36 1h7d n SER 34 Ca -0.12 -3.42 0.51 0.00 -1.33 0.00 0.00 58.87 54.51 1h7d n SER 34 Cb 0.47 -1.28 0.81 0.00 -0.75 0.00 0.00 64.21 63.46 1h7d n SER 34 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1h7d h ILE 35 N 3.28 0.03 0.00 2.46 1.08 -1.48 -3.44 117.51 119.44 1h7d h ILE 35 Ca 0.27 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1h7d h ILE 35 Cb 0.57 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1h7d h ILE 35 CO 1.35 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 179.42 1h7d n GLY 36 N -1.88 -0.07 0.64 5.37 0.00 -1.26 -5.04 105.19 102.94 1h7d n GLY 36 Ca 0.43 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1h7d n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h7d n ARG 37 N 0.00 0.93 0.02 1.61 1.85 -1.26 -4.68 116.66 115.13 1h7d n ARG 37 Ca 0.00 -2.49 -0.10 0.00 -1.00 0.00 0.00 57.85 54.26 1h7d n ARG 37 Cb 0.00 -1.07 -0.08 0.00 -1.05 0.00 0.00 32.46 30.26 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1h7d h PRO 39 N -0.88 0.51 -1.18 0.00 0.13 -1.97 -3.09 132.00 125.51 1h7d h PRO 39 Ca -0.02 -0.49 0.43 0.00 -0.87 0.00 0.00 66.00 65.05 1h7d h PRO 39 Cb 0.55 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.65 1h7d h PRO 39 CO 0.03 1.13 0.71 0.97 -0.23 0.00 0.00 178.00 180.61 1h7d h ILE 40 N 0.07 0.06 -2.10 -3.56 6.09 -1.84 -0.73 117.51 115.50 1h7d h ILE 40 Ca -0.07 -0.02 -0.58 0.00 -1.37 0.00 0.00 64.86 62.83 1h7d h ILE 40 Cb 1.33 0.00 -0.41 0.00 0.47 0.00 0.00 36.82 38.21 1h7d h ILE 40 CO 0.13 0.01 -0.85 0.00 -3.07 0.00 0.00 178.15 174.37 1h7d n LEU 41 N -4.97 2.07 0.13 2.19 -0.00 -1.21 -4.92 117.00 110.30 1h7d n LEU 41 Ca 0.38 -5.10 -0.06 0.00 -0.00 0.00 0.00 56.01 51.23 1h7d n LEU 41 Cb 1.37 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 44.75 1h7d n LEU 41 CO 0.11 2.09 0.25 0.00 -0.00 0.00 0.00 177.39 179.84 1h7d h ALA 42 N 3.98 -0.58 0.00 1.47 0.00 -1.05 -3.46 119.26 119.62 1h7d h ALA 42 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h7d h ALA 42 Cb 0.76 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1h7d h ALA 42 CO 0.65 -0.55 0.00 -2.37 0.00 0.00 0.00 179.25 176.98 1h7d n THR 43 N -3.79 0.00 -2.73 0.00 5.66 -1.26 -5.06 114.28 107.10 1h7d n THR 43 Ca -0.05 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.93 1h7d n THR 43 Cb 0.15 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.95 1h7d n THR 43 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1h7d s GLN 44 N -1.74 0.51 0.07 1.09 2.00 -1.26 -5.17 119.66 115.17 1h7d s GLN 44 Ca 0.00 -0.47 -0.06 0.00 -2.00 0.00 0.00 55.36 52.83 1h7d s GLN 44 Cb 0.00 -0.02 -0.02 0.00 0.80 0.00 0.00 33.01 33.78 1h7d s GLN 44 CO 0.00 -0.64 0.11 0.20 -0.50 0.00 0.00 175.29 174.46 1h7d s GLY 45 N 1.05 0.23 0.90 2.59 0.00 -1.26 -5.17 107.32 105.67 1h7d s GLY 45 Ca 0.25 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 1h7d s GLY 45 CO -0.09 -0.99 1.14 2.56 0.00 0.00 0.00 173.10 175.71 1h7d s PRO 46 N -3.84 1.20 -1.10 2.90 0.04 -1.26 -4.90 135.00 128.04 1h7d s PRO 46 Ca 0.05 0.30 -0.22 0.00 0.04 0.00 0.00 61.00 61.17 1h7d s PRO 46 Cb 0.06 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1h7d s PRO 46 CO -0.10 -2.16 1.84 0.99 0.04 0.00 0.00 177.00 177.61 1h7d s THR 47 N -3.28 3.66 -0.06 1.26 2.01 -1.26 -4.91 115.64 113.06 1h7d s THR 47 Ca 0.64 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1h7d s THR 47 Cb -0.15 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.76 1h7d s THR 47 CO 0.53 -1.28 -0.14 0.00 -0.69 0.00 0.00 174.62 173.05