#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 4.65 -0.29 2.03 0.11 -1.26 -5.06 120.40 120.58 1h7d s VAL 2 Ca 0.00 0.95 0.02 0.00 -2.93 0.00 0.00 61.98 60.02 1h7d s VAL 2 Cb 0.00 -3.75 0.20 0.00 -1.53 0.00 0.00 36.38 31.30 1h7d s VAL 2 CO 0.00 -0.70 0.70 0.00 -3.33 0.00 0.00 175.10 171.77 1h7d s ALA 3 N -2.62 -2.80 0.02 1.54 0.00 -1.26 -5.05 121.76 111.60 1h7d s ALA 3 Ca 0.56 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 1h7d s ALA 3 Cb -0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1h7d s ALA 3 CO 0.35 -1.90 -0.10 0.00 0.00 0.00 0.00 175.76 174.11 1h7d n ALA 4 N 5.34 2.42 -2.96 0.00 0.00 -1.26 -5.07 120.51 118.99 1h7d n ALA 4 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1h7d n ALA 4 Cb 0.55 0.19 0.05 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.76 -2.24 0.00 0.00 0.00 -1.26 -4.81 120.51 108.44 1h7d n ALA 5 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1h7d n ALA 5 Cb 0.14 -4.13 0.00 0.00 0.00 0.00 0.00 19.45 15.47 1h7d n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n MET 6 N -2.66 0.00 -4.03 0.00 -0.00 -1.26 -5.03 117.12 104.15 1h7d n MET 6 Ca -0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.26 1h7d n MET 6 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.80 1h7d n MET 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1h7d n LEU 7 N 0.00 -1.01 0.00 3.17 7.94 -1.26 -4.91 117.00 120.93 1h7d n LEU 7 Ca 0.00 -1.22 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 1h7d n LEU 7 Cb 0.00 -1.82 0.00 0.00 0.53 0.00 0.00 43.42 42.13 1h7d n LEU 7 CO 0.00 0.67 0.00 0.18 -1.11 0.00 0.00 177.39 177.13 1h7d n LEU 8 N -4.77 0.00 0.00 -1.96 4.77 -1.26 -5.07 117.00 108.71 1h7d n LEU 8 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1h7d n LEU 8 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1h7d n LEU 8 CO 0.75 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.70 1h7d n ARG 9 N 0.00 0.00 -3.71 3.23 1.85 -1.26 -5.02 116.66 111.75 1h7d n ARG 9 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1h7d n ARG 9 Cb 0.00 -0.05 -0.04 0.00 -1.05 0.00 0.00 32.46 31.32 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 -2.32 -2.04 -4.77 2.89 2.88 -1.26 -4.85 113.62 104.15 1h7d n SER 10 Ca 0.00 -0.57 -0.35 0.00 -1.33 0.00 0.00 58.87 56.62 1h7d n SER 10 Cb 0.00 -1.78 0.01 0.00 -0.75 0.00 0.00 64.21 61.70 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 -3.38 1.64 0.00 0.00 0.04 -1.26 -5.00 135.00 127.04 1h7d s PRO 12 Ca 0.73 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1h7d s PRO 12 Cb -0.25 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1h7d s PRO 12 CO 0.30 -1.89 0.00 1.33 0.04 0.00 0.00 177.00 176.78 1h7d n VAL 13 N -3.59 0.00 0.52 -0.36 0.24 -1.26 -4.86 118.33 109.03 1h7d n VAL 13 Ca 0.07 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 1h7d n VAL 13 Cb 0.58 -0.39 0.07 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.46 0.65 0.00 1.34 4.32 -1.26 -4.96 117.00 114.63 1h7d n LEU 14 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1h7d n LEU 14 Cb 0.00 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1h7d n LEU 14 CO 0.00 -0.01 0.00 -0.24 -1.22 0.00 0.00 177.39 175.92 1h7d n SER 15 N -2.08 0.00 -1.86 -1.43 2.88 -1.26 -4.52 113.62 105.35 1h7d n SER 15 Ca 0.02 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1h7d n SER 15 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.00 -0.37 0.00 -1.46 3.00 -1.26 -5.06 117.38 112.22 1h7d n GLN 16 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1h7d n GLN 16 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 27.73 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1h7d n GLY 17 N -1.00 -0.41 2.48 1.08 0.00 -1.26 -4.69 105.19 101.39 1h7d n GLY 17 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1h7d n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7d n PRO 18 N -2.14 2.78 0.26 1.61 -0.04 -1.26 -4.57 135.00 131.64 1h7d n PRO 18 Ca 0.00 -1.78 -0.11 0.00 -0.04 0.00 0.00 63.50 61.58 1h7d n PRO 18 Cb 0.00 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 30.81 1h7d n PRO 18 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1h7d h THR 19 N 3.25 0.00 0.00 0.52 2.02 -2.01 -3.47 112.91 113.22 1h7d h THR 19 Ca 0.66 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1h7d h THR 19 Cb 0.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1h7d h THR 19 CO 1.59 0.00 0.00 0.61 0.37 0.00 0.00 175.52 178.09 1h7d n GLY 20 N -0.38 -0.52 2.45 2.16 0.00 -1.26 -5.10 105.19 102.55 1h7d n GLY 20 Ca -0.09 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.28 0.09 0.99 4.32 -1.26 -4.92 117.00 114.94 1h7d n LEU 21 Ca 0.00 -4.04 0.00 0.00 -0.02 0.00 0.00 56.01 51.95 1h7d n LEU 21 Cb 0.00 0.73 0.00 0.00 -1.62 0.00 0.00 43.42 42.53 1h7d n LEU 21 CO 0.00 2.04 0.00 -0.11 -1.22 0.00 0.00 177.39 178.10 1h7d n LEU 22 N 1.52 -1.56 0.30 2.23 0.00 -1.26 -4.92 117.00 113.32 1h7d n LEU 22 Ca 0.15 0.51 0.19 0.00 0.00 0.00 0.00 56.01 56.87 1h7d n LEU 22 Cb 0.58 1.69 1.02 0.00 0.00 0.00 0.00 43.42 46.71 1h7d n LEU 22 CO 0.11 0.05 1.10 1.23 0.00 0.00 0.00 177.39 179.89 1h7d h GLY 23 N 0.00 0.00 1.18 -3.96 0.00 -1.98 0.71 103.07 99.02 1h7d h GLY 23 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1h7d h GLY 23 CO 0.00 0.00 -0.64 1.70 0.00 0.00 0.00 176.54 177.60 1h7d h LYS 24 N 0.00 0.83 0.00 4.80 3.64 -1.91 0.85 116.57 124.79 1h7d h LYS 24 Ca 0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1h7d h LYS 24 Cb 0.12 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1h7d h LYS 24 CO 0.00 1.21 -0.09 0.28 -2.27 0.00 0.00 179.45 178.58 1h7d h VAL 25 N 0.61 0.00 0.05 2.00 2.07 -1.30 -3.16 116.25 116.52 1h7d h VAL 25 Ca -0.01 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1h7d h VAL 25 Cb 1.26 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1h7d h VAL 25 CO 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 1h7d h ALA 26 N 2.05 -0.08 -0.87 1.67 0.00 -0.98 -3.09 119.26 117.96 1h7d h ALA 26 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1h7d h ALA 26 Cb 0.97 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 1h7d h ALA 26 CO 0.00 -0.08 -0.47 0.87 0.00 0.00 0.00 179.25 179.57 1h7d h LYS 27 N -0.76 -0.07 -0.57 0.00 1.79 -0.96 1.19 116.57 117.20 1h7d h LYS 27 Ca -0.01 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 1h7d h LYS 27 Cb 0.05 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.61 1h7d h LYS 27 CO 0.01 -0.05 -0.49 1.15 -1.08 0.00 0.00 179.45 178.99 1h7d h THR 28 N -0.07 0.05 -0.69 -0.16 2.02 -1.70 0.67 112.91 113.03 1h7d h THR 28 Ca 0.23 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 1h7d h THR 28 Cb 0.53 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1h7d h THR 28 CO -0.88 0.00 0.42 0.22 0.37 0.00 0.00 175.52 175.64 1h7d h TYR 29 N -0.26 0.91 -0.19 3.16 3.20 -0.62 1.08 116.97 124.24 1h7d h TYR 29 Ca 0.14 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1h7d h TYR 29 Cb 0.56 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1h7d h TYR 29 CO -0.75 0.61 0.51 0.37 -1.64 0.00 0.00 178.16 177.27 1h7d h GLN 30 N 0.94 0.00 0.00 1.82 5.75 0.36 0.51 115.11 124.48 1h7d h GLN 30 Ca 0.25 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.53 1h7d h GLN 30 Cb -0.03 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1h7d h GLN 30 CO -0.05 0.00 -1.78 0.34 -2.65 0.00 0.00 178.83 174.69 1h7d n PHE 31 N -3.10 0.00 -0.30 3.99 7.35 -0.44 -4.57 117.46 120.39 1h7d n PHE 31 Ca 0.03 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.79 1h7d n PHE 31 Cb 0.61 -0.52 0.29 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 -0.20 0.82 -0.91 -2.13 4.07 0.19 -1.14 115.31 116.02 1h7d h LEU 32 Ca -0.33 0.03 0.25 0.00 0.08 0.00 0.00 57.88 57.91 1h7d h LEU 32 Cb 1.41 -0.14 -0.15 0.00 1.08 0.00 0.00 40.66 42.86 1h7d h LEU 32 CO -0.12 0.47 0.25 0.15 -1.08 0.00 0.00 178.44 178.12 1h7d h PHE 33 N 0.90 0.37 -2.56 1.13 3.04 -0.23 -3.24 116.94 116.35 1h7d h PHE 33 Ca 0.43 0.05 -0.58 0.00 3.98 0.00 0.00 57.97 61.84 1h7d h PHE 33 Cb 0.43 -0.02 -0.39 0.00 2.56 0.00 0.00 35.95 38.53 1h7d h PHE 33 CO -0.00 -0.25 -0.87 0.45 -2.02 0.00 0.00 178.31 175.62 1h7d s SER 34 N -5.04 2.72 0.00 0.41 0.15 -0.44 -5.05 113.70 106.45 1h7d s SER 34 Ca -0.12 -2.35 0.00 0.00 0.70 0.00 0.00 55.95 54.18 1h7d s SER 34 Cb 0.27 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1h7d s SER 34 CO 0.77 -0.28 0.00 -0.38 1.20 0.00 0.00 173.24 174.55 1h7d n ILE 35 N 3.82 0.00 -0.06 6.45 2.08 -1.14 -4.71 119.36 125.81 1h7d n ILE 35 Ca 0.15 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.44 1h7d n ILE 35 Cb 0.39 -0.02 -0.01 0.00 -0.75 0.00 0.00 39.64 39.24 1h7d n ILE 35 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1h7d h GLY 36 N 0.00 -2.40 -5.90 7.39 0.00 -1.93 -3.47 103.07 96.77 1h7d h GLY 36 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 47.33 48.31 1h7d h GLY 36 CO 0.00 -0.86 -0.95 -2.13 0.00 0.00 0.00 176.54 172.60 1h7d n ARG 37 N -3.29 -1.95 -1.26 4.80 3.00 -1.26 -4.68 116.66 112.01 1h7d n ARG 37 Ca 0.00 1.73 0.01 0.00 -0.00 0.00 0.00 57.85 59.59 1h7d n ARG 37 Cb 0.04 -3.35 -0.01 0.00 0.00 0.00 0.00 32.46 29.14 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h7d s PRO 39 N -5.07 2.97 0.25 0.00 0.04 -1.26 -4.82 135.00 127.11 1h7d s PRO 39 Ca 0.00 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 60.90 1h7d s PRO 39 Cb 0.00 -4.57 0.31 0.00 0.04 0.00 0.00 34.50 30.28 1h7d s PRO 39 CO 0.00 -2.54 1.79 0.82 0.04 0.00 0.00 177.00 177.11 1h7d h ILE 40 N 6.62 1.24 0.19 0.56 2.04 -1.83 -3.08 117.51 123.25 1h7d h ILE 40 Ca -0.14 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1h7d h ILE 40 Cb 1.07 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1h7d h ILE 40 CO 1.27 0.33 -0.37 0.25 0.00 0.00 0.00 178.15 179.64 1h7d h LEU 41 N 0.89 -1.06 0.00 1.44 7.12 -1.98 -3.47 115.31 118.24 1h7d h LEU 41 Ca 0.19 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1h7d h LEU 41 Cb 0.32 0.38 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1h7d h LEU 41 CO -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 178.44 177.89 1h7d n ALA 42 N -2.73 0.00 0.19 1.25 0.00 -1.16 -5.05 120.51 113.01 1h7d n ALA 42 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h7d n ALA 42 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.63 0.00 -2.67 0.00 -1.04 -1.26 -4.82 114.28 101.87 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 -0.15 0.09 0.00 -1.82 0.00 0.00 70.33 68.45 1h7d n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h7d n GLN 44 N -3.38 0.15 0.00 -2.82 10.64 -1.26 -4.84 117.38 115.86 1h7d n GLN 44 Ca 0.00 -0.72 0.00 0.00 -1.83 0.00 0.00 57.00 54.45 1h7d n GLN 44 Cb 0.00 -0.21 0.00 0.00 -0.86 0.00 0.00 30.24 29.17 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1h7d n GLY 45 N 1.10 -1.38 2.54 2.61 0.00 -1.26 -4.71 105.19 104.09 1h7d n GLY 45 Ca -0.01 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1h7d n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7d n PRO 46 N 0.00 2.70 -3.52 1.61 -0.04 -1.26 -4.66 135.00 129.83 1h7d n PRO 46 Ca 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1h7d n PRO 46 Cb 0.00 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 1h7d n PRO 46 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1h7d s THR 47 N 3.04 -0.18 -0.68 0.52 -1.32 -1.26 -5.05 115.64 110.71 1h7d s THR 47 Ca 0.52 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.03 1h7d s THR 47 Cb 0.14 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.49 1h7d s THR 47 CO -0.04 0.00 1.44 0.00 -2.21 0.00 0.00 174.62 173.81