#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 0.82 -0.29 3.17 1.01 -1.26 -4.93 120.40 118.92 1h7d s VAL 2 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 1h7d s VAL 2 Cb 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1h7d s VAL 2 CO 0.00 -0.52 0.40 0.00 0.00 0.00 0.00 175.10 174.97 1h7d n ALA 3 N 4.89 -2.37 -3.01 5.51 0.00 -1.26 -4.98 120.51 119.29 1h7d n ALA 3 Ca -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 1h7d n ALA 3 Cb 0.43 -1.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d s ALA 4 N -1.46 -2.23 0.21 0.00 0.00 -1.26 -4.99 121.76 112.03 1h7d s ALA 4 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1h7d s ALA 4 Cb -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1h7d s ALA 4 CO 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 175.76 174.11 1h7d n ALA 5 N 3.74 0.00 -2.73 0.00 0.00 -1.26 -4.86 120.51 115.40 1h7d n ALA 5 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1h7d n ALA 5 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.82 0.27 -0.01 0.00 -2.45 -1.26 -5.06 119.30 108.97 1h7d s MET 6 Ca 0.00 -0.21 -0.12 0.00 -1.25 0.00 0.00 55.69 54.11 1h7d s MET 6 Cb 0.00 0.00 -0.07 0.00 1.25 0.00 0.00 34.83 36.02 1h7d s MET 6 CO 0.00 -0.35 0.74 -0.07 1.05 0.00 0.00 175.02 176.39 1h7d h LEU 7 N 4.76 -0.37 -3.13 4.11 -0.00 -1.98 -3.48 115.31 115.23 1h7d h LEU 7 Ca -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1h7d h LEU 7 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1h7d h LEU 7 CO -0.08 -0.14 -1.01 -0.11 -0.00 0.00 0.00 178.44 177.10 1h7d n LEU 8 N -3.86 -4.42 -1.92 1.67 7.94 -1.26 -4.95 117.00 110.20 1h7d n LEU 8 Ca -0.05 0.55 -0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1h7d n LEU 8 Cb 0.17 -1.96 0.03 0.00 0.53 0.00 0.00 43.42 42.19 1h7d n LEU 8 CO 0.13 -1.66 0.18 0.54 -1.11 0.00 0.00 177.39 175.47 1h7d n ARG 9 N 1.02 0.65 -1.68 1.96 5.12 -1.26 -4.86 116.66 117.60 1h7d n ARG 9 Ca -0.00 -2.10 0.02 0.00 -1.93 0.00 0.00 57.85 53.83 1h7d n ARG 9 Cb 0.42 -0.28 0.06 0.00 -1.16 0.00 0.00 32.46 31.50 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1h7d n SER 10 N -0.17 1.48 -4.85 0.55 2.88 -1.26 -5.09 113.62 107.16 1h7d n SER 10 Ca -0.04 -2.42 -0.32 0.00 -1.33 0.00 0.00 58.87 54.77 1h7d n SER 10 Cb 0.93 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 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 -3.12 0.83 0.01 0.00 0.04 -1.26 -5.01 135.00 126.50 1h7d s PRO 12 Ca 0.54 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1h7d s PRO 12 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1h7d s PRO 12 CO 0.19 -2.38 0.00 1.55 0.04 0.00 0.00 177.00 176.40 1h7d n VAL 13 N -3.87 0.00 0.00 -0.36 3.14 -1.26 -5.07 118.33 110.91 1h7d n VAL 13 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1h7d n VAL 13 Cb 0.59 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 1h7d n VAL 13 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1h7d n LEU 14 N -2.53 0.00 -3.25 6.55 0.00 -1.26 -5.10 117.00 111.41 1h7d n LEU 14 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.79 1h7d n LEU 14 Cb 0.00 0.07 0.02 0.00 0.00 0.00 0.00 43.42 43.51 1h7d n LEU 14 CO 0.00 -0.42 -0.28 -0.24 0.00 0.00 0.00 177.39 176.45 1h7d n SER 15 N -2.27 -6.42 -2.36 1.96 2.88 -1.26 -4.35 113.62 101.81 1h7d n SER 15 Ca 0.00 0.23 -0.02 0.00 -1.33 0.00 0.00 58.87 57.75 1h7d n SER 15 Cb 0.00 -2.67 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1h7d n GLN 16 N 0.19 -2.12 0.00 -1.46 7.27 -1.26 -5.05 117.38 114.95 1h7d n GLN 16 Ca -0.02 1.91 0.00 0.00 0.07 0.00 0.00 57.00 58.95 1h7d n GLN 16 Cb 0.54 -4.12 0.00 0.00 2.41 0.00 0.00 30.24 29.08 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h7d n GLY 17 N 0.18 -0.38 3.63 1.69 0.00 -1.26 -4.90 105.19 104.15 1h7d n GLY 17 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1h7d n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h7d s PRO 18 N -0.76 3.92 -0.03 1.61 0.04 -1.26 -4.92 135.00 133.61 1h7d s PRO 18 Ca 0.00 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1h7d s PRO 18 Cb 0.00 -3.89 -0.13 0.00 0.04 0.00 0.00 34.50 30.52 1h7d s PRO 18 CO 0.00 -1.11 0.89 1.79 0.04 0.00 0.00 177.00 178.60 1h7d h THR 19 N 5.95 0.43 0.00 1.26 1.35 -2.03 -3.47 112.91 116.39 1h7d h THR 19 Ca -0.27 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1h7d h THR 19 Cb 1.10 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1h7d h THR 19 CO 1.02 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 1h7d n GLY 20 N 0.21 -1.03 2.68 5.82 0.00 -1.26 -5.05 105.19 106.56 1h7d n GLY 20 Ca -0.08 0.79 -0.38 0.00 0.00 0.00 0.00 46.02 46.36 1h7d n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h7d n LEU 21 N 0.00 7.35 -3.21 0.99 4.32 -1.26 -4.72 117.00 120.47 1h7d n LEU 21 Ca 0.00 -4.84 -0.01 0.00 -0.02 0.00 0.00 56.01 51.14 1h7d n LEU 21 Cb 0.00 -1.18 -0.02 0.00 -1.62 0.00 0.00 43.42 40.60 1h7d n LEU 21 CO 0.00 1.88 0.04 -0.22 -1.22 0.00 0.00 177.39 177.87 1h7d s LEU 22 N -3.45 -1.31 0.00 2.23 0.20 -1.26 -4.87 118.68 110.22 1h7d s LEU 22 Ca 0.50 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 55.26 1h7d s LEU 22 Cb 0.32 1.68 0.00 0.00 -0.43 0.00 0.00 46.19 47.76 1h7d s LEU 22 CO -0.25 -0.32 0.00 0.61 -0.29 0.00 0.00 176.35 176.11 1h7d n GLY 23 N 5.36 2.94 0.21 7.98 0.00 -1.26 -4.86 105.19 115.57 1h7d n GLY 23 Ca 0.04 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.55 1h7d n GLY 23 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h7d h LYS 24 N 0.00 0.00 0.00 1.61 3.64 -1.93 1.36 116.57 121.25 1h7d h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1h7d h LYS 24 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1h7d h LYS 24 CO 0.00 0.26 -0.60 0.28 -2.27 0.00 0.00 179.45 177.12 1h7d h VAL 25 N 0.00 0.00 0.02 2.00 2.07 -1.89 -2.39 116.25 116.06 1h7d h VAL 25 Ca -0.00 -0.79 -0.38 0.00 0.82 0.00 0.00 66.70 66.35 1h7d h VAL 25 Cb 0.78 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1h7d h VAL 25 CO 0.03 0.00 -2.34 0.00 0.02 0.00 0.00 177.57 175.28 1h7d n ALA 26 N -2.02 1.37 0.07 1.67 0.00 -0.83 -4.11 120.51 116.66 1h7d n ALA 26 Ca 0.02 -1.06 -0.06 0.00 0.00 0.00 0.00 53.44 52.35 1h7d n ALA 26 Cb 0.50 -0.25 0.12 0.00 0.00 0.00 0.00 19.45 19.82 1h7d n ALA 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1h7d h LYS 27 N 0.01 0.30 0.00 0.00 3.64 0.17 -1.55 116.57 119.14 1h7d h LYS 27 Ca -0.53 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1h7d h LYS 27 Cb 2.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1h7d h LYS 27 CO -0.03 0.79 0.00 1.15 -2.27 0.00 0.00 179.45 179.09 1h7d h THR 28 N 0.23 0.00 0.03 1.00 2.02 -1.61 -2.39 112.91 112.19 1h7d h THR 28 Ca -0.00 -0.23 -0.35 0.00 0.77 0.00 0.00 66.41 66.60 1h7d h THR 28 Cb 1.07 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1h7d h THR 28 CO 0.09 0.00 -2.12 0.00 0.37 0.00 0.00 175.52 173.86 1h7d n TYR 29 N -3.02 0.57 0.30 3.16 9.36 -0.94 -2.83 117.16 123.75 1h7d n TYR 29 Ca -0.01 0.17 0.17 0.00 3.32 0.00 0.00 57.90 61.54 1h7d n TYR 29 Cb 0.18 -1.09 0.90 0.00 -0.63 0.00 0.00 39.34 38.70 1h7d n TYR 29 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1h7d h GLN 30 N 0.02 0.00 0.00 2.98 -0.00 -0.76 -0.19 115.11 117.16 1h7d h GLN 30 Ca -0.45 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 57.94 1h7d h GLN 30 Cb 2.06 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 29.50 1h7d h GLN 30 CO 0.03 0.00 -2.00 0.34 -0.00 0.00 0.00 178.83 177.20 1h7d n PHE 31 N -2.79 0.00 0.28 0.06 7.35 -1.17 -4.37 117.46 116.82 1h7d n PHE 31 Ca -0.02 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.84 1h7d n PHE 31 Cb 0.21 -0.69 0.87 0.00 0.35 0.00 0.00 39.48 40.21 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 0.00 -1.35 -2.13 -0.00 -1.16 0.30 115.31 110.97 1h7d h LEU 32 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1h7d h LEU 32 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.34 1h7d h LEU 32 CO -0.04 0.00 0.00 0.33 -0.00 0.00 0.00 178.44 178.73 1h7d n PHE 33 N -2.71 0.34 -3.18 1.13 7.35 -0.17 -4.21 117.46 116.01 1h7d n PHE 33 Ca -0.02 -0.17 -0.19 0.00 -0.76 0.00 0.00 57.45 56.31 1h7d n PHE 33 Cb 0.10 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.90 1h7d n PHE 33 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h7d n SER 34 N 0.56 0.94 0.00 -2.13 7.64 0.11 -4.98 113.62 115.75 1h7d n SER 34 Ca 0.16 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1h7d n SER 34 Cb 0.36 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1h7d n SER 34 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1h7d n ILE 35 N 0.40 0.00 -3.94 0.44 5.41 -1.25 -4.99 119.36 115.43 1h7d n ILE 35 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1h7d n ILE 35 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h7d n GLY 36 N 1.18 -1.12 0.00 7.39 0.00 -1.26 -5.06 105.19 106.32 1h7d n GLY 36 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1h7d n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h7d n ARG 37 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.97 116.66 113.78 1h7d n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1h7d n ARG 37 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h7d s PRO 39 N 0.00 3.07 0.00 0.00 0.04 -1.26 -4.89 135.00 131.96 1h7d s PRO 39 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1h7d s PRO 39 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1h7d s PRO 39 CO 0.00 -2.23 0.00 -0.89 0.04 0.00 0.00 177.00 173.92 1h7d n ILE 40 N 6.86 0.00 0.42 0.56 5.41 -1.26 -4.72 119.36 126.64 1h7d n ILE 40 Ca 0.13 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.68 1h7d n ILE 40 Cb 0.50 -0.17 -0.10 0.00 -0.71 0.00 0.00 39.64 39.17 1h7d n ILE 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1h7d h LEU 41 N 0.00 -1.17 0.00 1.39 5.85 -1.99 -3.47 115.31 115.92 1h7d h LEU 41 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1h7d h LEU 41 Cb 0.00 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1h7d h LEU 41 CO 0.00 -0.72 0.00 0.00 -0.34 0.00 0.00 178.44 177.38 1h7d n ALA 42 N -2.70 0.00 0.22 1.25 0.00 -1.26 -5.06 120.51 112.96 1h7d n ALA 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1h7d n ALA 42 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1h7d n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1h7d n THR 43 N -2.98 0.00 -2.66 0.00 -1.04 -1.26 -4.83 114.28 101.51 1h7d n THR 43 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1h7d n THR 43 Cb 0.00 -0.07 0.10 0.00 -1.82 0.00 0.00 70.33 68.54 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1h7d n GLN 44 N -3.42 0.13 0.00 -2.82 7.27 -1.26 -5.00 117.38 112.28 1h7d n GLN 44 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 57.00 56.38 1h7d n GLN 44 Cb 0.00 -0.18 0.00 0.00 2.41 0.00 0.00 30.24 32.47 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h7d n GLY 45 N 0.99 -0.06 0.14 1.69 0.00 -1.26 -4.18 105.19 102.51 1h7d n GLY 45 Ca -0.02 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.69 1h7d n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7d h PRO 46 N 1.16 -0.22 -1.86 1.61 0.13 -2.01 -3.45 132.00 127.36 1h7d h PRO 46 Ca 0.00 0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 1h7d h PRO 46 Cb 0.00 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 30.88 1h7d h PRO 46 CO 0.00 0.10 -0.52 0.99 -0.23 0.00 0.00 178.00 178.34 1h7d s THR 47 N -2.85 -0.59 0.54 1.56 2.01 -1.26 -5.03 115.64 110.02 1h7d s THR 47 Ca -0.09 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1h7d s THR 47 Cb 0.00 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1h7d s THR 47 CO 0.33 -0.23 0.00 0.00 -0.69 0.00 0.00 174.62 174.03