#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 0.00 -0.49 1.12 0.11 -1.26 -5.11 120.40 114.77 1h7d s VAL 2 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1h7d s VAL 2 Cb 0.00 -1.00 0.23 0.00 -1.53 0.00 0.00 36.38 34.08 1h7d s VAL 2 CO 0.00 0.00 0.83 0.00 -3.33 0.00 0.00 175.10 172.60 1h7d n ALA 3 N 0.24 -1.38 -2.66 1.54 0.00 -1.26 -5.03 120.51 111.96 1h7d n ALA 3 Ca -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 53.44 51.90 1h7d n ALA 3 Cb 0.60 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.75 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 4 N 1.98 -3.79 0.04 0.00 0.00 -1.26 -5.03 120.51 112.44 1h7d n ALA 4 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1h7d n ALA 4 Cb 0.61 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.70 1h7d n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 5 N 2.11 0.00 -3.01 0.00 0.00 -1.26 -5.09 120.51 113.26 1h7d n ALA 5 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1h7d n ALA 5 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.14 1h7d n ALA 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1h7d n MET 6 N -2.82 -1.94 -2.87 0.00 0.00 -1.26 -5.02 117.12 103.21 1h7d n MET 6 Ca 0.00 1.80 -0.04 0.00 -0.00 0.00 0.00 57.70 59.47 1h7d n MET 6 Cb 0.00 -5.34 0.00 0.00 0.00 0.00 0.00 33.22 27.88 1h7d n MET 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1h7d s LEU 7 N -3.20 -1.39 -0.31 -0.89 2.96 -1.26 -5.09 118.68 109.51 1h7d s LEU 7 Ca 0.16 -1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 52.47 1h7d s LEU 7 Cb -0.04 1.85 0.19 0.00 0.50 0.00 0.00 46.19 48.69 1h7d s LEU 7 CO 0.78 -0.08 0.80 -0.22 -1.32 0.00 0.00 176.35 176.31 1h7d s LEU 8 N 1.04 -1.08 0.00 -0.68 2.96 -1.26 -5.01 118.68 114.66 1h7d s LEU 8 Ca 0.27 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1h7d s LEU 8 Cb -0.01 1.61 0.00 0.00 0.50 0.00 0.00 46.19 48.29 1h7d s LEU 8 CO -0.06 -0.18 0.00 -2.11 -1.32 0.00 0.00 176.35 172.68 1h7d n ARG 9 N 5.02 0.00 -3.29 1.98 1.85 -1.26 -5.05 116.66 115.91 1h7d n ARG 9 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.77 1h7d n ARG 9 Cb 0.57 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 32.06 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1h7d n SER 10 N -1.96 -2.45 -4.00 2.89 2.88 -1.26 -5.03 113.62 104.68 1h7d n SER 10 Ca 0.00 -0.57 -0.10 0.00 -1.33 0.00 0.00 58.87 56.87 1h7d n SER 10 Cb 0.00 -4.74 -0.11 0.00 -0.75 0.00 0.00 64.21 58.61 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 -1.65 1.03 0.00 0.00 0.04 -1.26 -5.01 135.00 128.15 1h7d s PRO 12 Ca -0.13 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1h7d s PRO 12 Cb -0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1h7d s PRO 12 CO -0.01 -2.26 0.00 1.33 0.04 0.00 0.00 177.00 176.09 1h7d n VAL 13 N -3.80 0.00 -2.71 -0.36 0.24 -1.26 -5.07 118.33 105.37 1h7d n VAL 13 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1h7d n VAL 13 Cb 0.59 -0.36 0.05 0.00 -1.47 0.00 0.00 33.84 32.65 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1h7d n LEU 14 N -2.39 -3.47 -3.07 1.34 4.77 -1.26 -4.88 117.00 108.05 1h7d n LEU 14 Ca 0.00 -0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 55.28 1h7d n LEU 14 Cb 0.00 -2.01 -0.05 0.00 -2.33 0.00 0.00 43.42 39.02 1h7d n LEU 14 CO 0.00 0.16 3.03 -1.20 -1.33 0.00 0.00 177.39 178.06 1h7d n SER 15 N -2.30 7.92 -2.53 -1.43 7.64 -1.26 -4.45 113.62 117.21 1h7d n SER 15 Ca -0.12 -2.54 -0.06 0.00 1.01 0.00 0.00 58.87 57.16 1h7d n SER 15 Cb 0.59 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.31 1h7d n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7d n GLN 16 N 3.42 -1.17 0.00 1.43 6.02 -1.26 -5.03 117.38 120.79 1h7d n GLN 16 Ca 0.70 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 58.43 1h7d n GLN 16 Cb 0.34 -4.13 0.00 0.00 1.02 0.00 0.00 30.24 27.48 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h7d n GLY 17 N -1.38 -0.46 3.78 1.08 0.00 -1.26 -5.03 105.19 101.92 1h7d n GLY 17 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.90 0.91 0.00 1.61 0.04 -1.26 -5.02 135.00 130.37 1h7d s PRO 18 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1h7d s PRO 18 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1h7d s PRO 18 CO 0.00 -2.34 0.00 -2.37 0.04 0.00 0.00 177.00 172.33 1h7d n THR 19 N -3.85 0.00 0.00 1.26 5.66 -1.26 -5.09 114.28 111.00 1h7d n THR 19 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1h7d n THR 19 Cb 0.59 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h7d n GLY 20 N 1.66 3.08 2.39 1.09 0.00 -1.26 -4.96 105.19 107.19 1h7d n GLY 20 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.09 0.20 0.99 4.32 -1.26 -4.93 117.00 112.23 1h7d n LEU 21 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1h7d n LEU 21 Cb 0.00 -2.01 0.00 0.00 -1.62 0.00 0.00 43.42 39.79 1h7d n LEU 21 CO 0.00 -0.13 0.00 -0.11 -1.22 0.00 0.00 177.39 175.93 1h7d n LEU 22 N -2.13 -3.59 -0.24 2.23 7.94 -1.26 -4.90 117.00 115.05 1h7d n LEU 22 Ca -0.03 0.80 0.01 0.00 -1.11 0.00 0.00 56.01 55.68 1h7d n LEU 22 Cb 0.55 3.40 0.23 0.00 0.53 0.00 0.00 43.42 48.13 1h7d n LEU 22 CO 0.30 0.22 1.25 1.23 -1.11 0.00 0.00 177.39 179.28 1h7d h GLY 23 N 0.00 1.12 2.00 -3.96 0.00 -1.95 1.41 103.07 101.69 1h7d h GLY 23 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1h7d h GLY 23 CO 0.00 0.39 0.00 1.70 0.00 0.00 0.00 176.54 178.63 1h7d h LYS 24 N 1.06 0.00 0.00 4.80 3.64 -1.98 0.12 116.57 124.20 1h7d h LYS 24 Ca 0.30 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.31 1h7d h LYS 24 Cb -0.09 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1h7d h LYS 24 CO -0.07 0.00 -2.39 0.28 -2.27 0.00 0.00 179.45 175.00 1h7d n VAL 25 N -2.44 1.40 0.21 2.00 0.31 0.55 -3.83 118.33 116.53 1h7d n VAL 25 Ca 0.02 -0.73 -0.09 0.00 -0.01 0.00 0.00 64.34 63.53 1h7d n VAL 25 Cb 0.24 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d h ALA 26 N 0.59 -0.63 -0.45 3.52 0.00 0.21 -2.50 119.26 120.00 1h7d h ALA 26 Ca -0.55 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.32 1h7d h ALA 26 Cb 2.08 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 20.01 1h7d h ALA 26 CO -0.02 -0.59 -0.28 0.87 0.00 0.00 0.00 179.25 179.24 1h7d h LYS 27 N -1.10 -0.18 -0.46 0.00 6.56 -1.00 1.08 116.57 121.47 1h7d h LYS 27 Ca -0.06 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.60 1h7d h LYS 27 Cb 0.46 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.08 1h7d h LYS 27 CO 0.10 -0.12 -0.55 1.15 -2.06 0.00 0.00 179.45 177.97 1h7d h THR 28 N -0.19 0.01 -0.65 -0.16 2.02 -1.66 -0.15 112.91 112.13 1h7d h THR 28 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1h7d h THR 28 Cb 0.51 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1h7d h THR 28 CO -0.55 0.00 0.34 0.22 0.37 0.00 0.00 175.52 175.90 1h7d h TYR 29 N -0.36 0.90 -0.11 3.16 3.20 -0.79 1.24 116.97 124.22 1h7d h TYR 29 Ca 0.09 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1h7d h TYR 29 Cb 0.58 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1h7d h TYR 29 CO -0.74 0.66 0.43 0.37 -1.64 0.00 0.00 178.16 177.24 1h7d h GLN 30 N 0.88 0.00 0.00 1.82 4.15 0.29 0.38 115.11 122.64 1h7d h GLN 30 Ca 0.23 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.42 1h7d h GLN 30 Cb 0.07 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1h7d h GLN 30 CO -0.03 0.00 -1.79 0.34 -1.93 0.00 0.00 178.83 175.42 1h7d n PHE 31 N -3.03 0.00 -0.25 3.99 7.35 -0.33 -4.57 117.46 120.62 1h7d n PHE 31 Ca 0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1h7d n PHE 31 Cb 0.51 -0.52 0.40 0.00 0.35 0.00 0.00 39.48 40.22 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 -0.31 0.61 -0.73 -2.13 -0.00 0.21 -1.91 115.31 111.05 1h7d h LEU 32 Ca -0.34 0.04 0.09 0.00 -0.00 0.00 0.00 57.88 57.67 1h7d h LEU 32 Cb 1.38 -0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.84 1h7d h LEU 32 CO -0.15 0.30 -0.48 0.15 -0.00 0.00 0.00 178.44 178.26 1h7d h PHE 33 N 0.64 -1.44 -2.38 1.13 3.57 -0.46 -3.31 116.94 114.69 1h7d h PHE 33 Ca 0.44 0.10 -0.57 0.00 3.53 0.00 0.00 57.97 61.47 1h7d h PHE 33 Cb 0.76 0.73 -0.38 0.00 2.79 0.00 0.00 35.95 39.86 1h7d h PHE 33 CO -0.00 -0.42 -0.93 -1.54 -2.23 0.00 0.00 178.31 173.20 1h7d s SER 34 N -5.26 1.74 0.00 0.41 1.04 -0.77 -5.06 113.70 105.80 1h7d s SER 34 Ca -0.14 -2.77 0.00 0.00 0.48 0.00 0.00 55.95 53.53 1h7d s SER 34 Cb 0.13 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1h7d s SER 34 CO 0.66 -0.21 0.00 -0.38 0.98 0.00 0.00 173.24 174.29 1h7d n ILE 35 N 3.20 0.00 0.00 -1.02 2.08 -0.89 -4.94 119.36 117.79 1h7d n ILE 35 Ca 0.24 0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1h7d n ILE 35 Cb 0.45 -1.16 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1h7d n GLY 36 N 0.26 3.07 2.71 7.39 0.00 -1.26 -5.07 105.19 112.29 1h7d n GLY 36 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 0.65 -3.10 1.61 1.85 -1.26 -5.14 116.66 111.26 1h7d n ARG 37 Ca 0.00 -1.99 -0.32 0.00 -1.00 0.00 0.00 57.85 54.53 1h7d n ARG 37 Cb 0.00 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 29.88 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1h7d s PRO 39 N -3.07 3.13 0.00 0.00 0.04 -1.26 -4.72 135.00 129.11 1h7d s PRO 39 Ca 0.54 -0.96 0.10 0.00 0.04 0.00 0.00 61.00 60.72 1h7d s PRO 39 Cb -0.10 -5.26 0.36 0.00 0.04 0.00 0.00 34.50 29.53 1h7d s PRO 39 CO 0.19 -2.88 1.27 1.51 0.04 0.00 0.00 177.00 177.12 1h7d n ILE 40 N 7.30 0.26 -2.77 0.56 3.06 -1.26 -4.88 119.36 121.63 1h7d n ILE 40 Ca 0.39 -0.28 -0.09 0.00 -2.50 0.00 0.00 62.75 60.27 1h7d n ILE 40 Cb 0.48 0.14 0.05 0.00 0.54 0.00 0.00 39.64 40.85 1h7d n ILE 40 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1h7d n LEU 41 N 0.09 -3.24 0.24 9.51 4.32 -1.26 -4.87 117.00 121.79 1h7d n LEU 41 Ca 0.09 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1h7d n LEU 41 Cb 0.20 -1.98 0.00 0.00 -1.62 0.00 0.00 43.42 40.02 1h7d n LEU 41 CO 0.07 0.20 0.00 0.00 -1.22 0.00 0.00 177.39 176.43 1h7d n ALA 42 N -2.73 0.14 -0.09 -1.18 0.00 -1.26 -4.76 120.51 110.64 1h7d n ALA 42 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1h7d n ALA 42 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1h7d n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d h THR 43 N 0.00 1.26 0.00 0.00 1.03 -1.89 -3.40 112.91 109.91 1h7d h THR 43 Ca 0.00 -0.95 -0.08 0.00 -0.01 0.00 0.00 66.41 65.37 1h7d h THR 43 Cb 0.00 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 1h7d h THR 43 CO 0.00 0.30 -1.07 1.67 -0.01 0.00 0.00 175.52 176.41 1h7d n GLN 44 N -4.60 0.39 -1.00 0.00 -0.06 -1.26 -5.03 117.38 105.82 1h7d n GLN 44 Ca -0.03 0.16 -0.35 0.00 -2.00 0.00 0.00 57.00 54.78 1h7d n GLN 44 Cb 0.26 -1.17 0.03 0.00 -4.06 0.00 0.00 30.24 25.29 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1h7d n GLY 45 N 1.97 -4.02 3.62 1.69 0.00 -1.26 -4.77 105.19 102.42 1h7d n GLY 45 Ca -0.17 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1h7d n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h7d s PRO 46 N -1.63 3.76 0.45 1.61 0.04 -1.26 -4.29 135.00 133.68 1h7d s PRO 46 Ca 0.42 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1h7d s PRO 46 Cb -0.25 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1h7d s PRO 46 CO 0.74 -1.33 0.00 2.41 0.04 0.00 0.00 177.00 178.86 1h7d n THR 47 N 6.60 0.00 -3.08 1.26 -1.04 -1.26 -4.95 114.28 111.81 1h7d n THR 47 Ca 0.16 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.01 1h7d n THR 47 Cb 0.47 -0.08 0.02 0.00 -1.82 0.00 0.00 70.33 68.92 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43