#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 0.16 -0.07 2.03 -7.23 -1.26 -4.99 120.40 109.04 1h7d s VAL 2 Ca 0.00 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1h7d s VAL 2 Cb 0.00 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1h7d s VAL 2 CO 0.00 -0.72 0.00 0.00 -0.31 0.00 0.00 175.10 174.07 1h7d n ALA 3 N 0.75 -2.31 -1.56 1.32 0.00 -1.26 -4.77 120.51 112.68 1h7d n ALA 3 Ca -0.19 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1h7d n ALA 3 Cb 0.58 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 1.21 6.48 0.00 0.00 0.00 -1.26 -4.76 120.51 122.18 1h7d n ALA 4 Ca -0.00 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1h7d n ALA 4 Cb 0.37 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 0.81 0.00 -4.12 0.00 0.00 -1.26 -4.69 120.51 111.25 1h7d n ALA 5 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.55 1h7d n ALA 5 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 -0.50 -0.02 0.00 0.00 -1.26 -4.88 117.12 110.46 1h7d n MET 6 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 57.70 57.74 1h7d n MET 6 Cb 0.00 -2.62 -0.00 0.00 0.00 0.00 0.00 33.22 30.60 1h7d n MET 6 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1h7d h LEU 7 N -2.04 0.00 -5.93 -0.89 4.07 -2.02 -3.47 115.31 105.04 1h7d h LEU 7 Ca -0.65 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.36 1h7d h LEU 7 Cb 1.31 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.85 1h7d h LEU 7 CO 0.55 0.16 -0.31 -0.22 -1.08 0.00 0.00 178.44 177.54 1h7d s LEU 8 N -5.37 -1.27 -0.37 1.67 2.96 -1.26 -5.05 118.68 110.00 1h7d s LEU 8 Ca -0.01 -0.12 0.13 0.00 -0.22 0.00 0.00 54.13 53.91 1h7d s LEU 8 Cb 0.00 1.73 0.39 0.00 0.50 0.00 0.00 46.19 48.81 1h7d s LEU 8 CO 0.01 -0.20 0.96 0.54 -1.32 0.00 0.00 176.35 176.35 1h7d n ARG 9 N 4.95 1.07 0.14 1.98 5.12 -1.26 -4.92 116.66 123.74 1h7d n ARG 9 Ca 0.07 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 53.13 1h7d n ARG 9 Cb 0.56 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 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 0.04 -2.48 -4.77 0.55 2.88 -1.26 -5.13 113.62 103.45 1h7d n SER 10 Ca 0.12 0.65 -0.35 0.00 -1.33 0.00 0.00 58.87 57.96 1h7d n SER 10 Cb 0.75 2.47 0.01 0.00 -0.75 0.00 0.00 64.21 66.69 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 -3.36 2.02 0.00 0.00 0.04 -1.26 -4.99 135.00 127.46 1h7d s PRO 12 Ca 0.72 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1h7d s PRO 12 Cb -0.24 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1h7d s PRO 12 CO 0.28 -1.66 0.00 1.55 0.04 0.00 0.00 177.00 177.21 1h7d n VAL 13 N -3.45 0.00 -2.58 -0.36 3.14 -1.26 -5.07 118.33 108.75 1h7d n VAL 13 Ca 0.07 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.37 1h7d n VAL 13 Cb 0.57 -0.26 0.04 0.00 -1.06 0.00 0.00 33.84 33.13 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1h7d n LEU 14 N -2.23 -3.57 -2.33 6.55 4.32 -1.26 -4.89 117.00 113.60 1h7d n LEU 14 Ca 0.00 -0.36 -0.20 0.00 -0.02 0.00 0.00 56.01 55.44 1h7d n LEU 14 Cb 0.00 -1.93 -0.12 0.00 -1.62 0.00 0.00 43.42 39.75 1h7d n LEU 14 CO 0.00 0.12 1.86 -0.24 -1.22 0.00 0.00 177.39 177.91 1h7d n SER 15 N -2.30 6.06 -3.00 -1.43 2.88 -1.26 -4.64 113.62 109.93 1h7d n SER 15 Ca -0.09 -2.68 -0.03 0.00 -1.33 0.00 0.00 58.87 54.74 1h7d n SER 15 Cb 0.58 -1.39 0.01 0.00 -0.75 0.00 0.00 64.21 62.66 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 2.23 -1.40 0.00 -1.46 6.02 -1.26 -5.00 117.38 116.51 1h7d n GLN 16 Ca 0.49 1.32 0.00 0.00 -0.01 0.00 0.00 57.00 58.80 1h7d n GLN 16 Cb 0.73 -5.52 0.00 0.00 1.02 0.00 0.00 30.24 26.47 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 -1.63 -0.02 3.79 1.08 0.00 -1.26 -5.04 105.19 102.10 1h7d n GLY 17 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.42 1.26 -0.74 1.61 0.04 -1.26 -3.65 135.00 131.84 1h7d s PRO 18 Ca 0.00 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 1h7d s PRO 18 Cb 0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1h7d s PRO 18 CO 0.00 -2.12 0.13 2.41 0.04 0.00 0.00 177.00 177.46 1h7d n THR 19 N -3.72 -0.40 -1.16 1.26 -1.04 -1.26 -4.77 114.28 103.19 1h7d n THR 19 Ca 0.07 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.88 1h7d n THR 19 Cb 0.59 -1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.05 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h7d n GLY 20 N -0.77 3.93 2.67 3.41 0.00 -1.24 -4.63 105.19 108.56 1h7d n GLY 20 Ca -0.05 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 1.03 7.34 0.09 0.99 4.32 -1.26 -4.30 117.00 125.20 1h7d n LEU 21 Ca 0.39 -4.81 0.00 0.00 -0.02 0.00 0.00 56.01 51.56 1h7d n LEU 21 Cb 0.62 -1.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 1h7d n LEU 21 CO 0.29 1.88 0.00 -0.11 -1.22 0.00 0.00 177.39 178.23 1h7d n LEU 22 N 0.31 -0.30 0.29 2.23 0.00 -1.26 -4.83 117.00 113.43 1h7d n LEU 22 Ca 0.52 0.30 0.14 0.00 0.00 0.00 0.00 56.01 56.98 1h7d n LEU 22 Cb 0.32 0.42 0.77 0.00 0.00 0.00 0.00 43.42 44.93 1h7d n LEU 22 CO 0.50 -0.61 1.05 1.23 0.00 0.00 0.00 177.39 179.56 1h7d h GLY 23 N 0.00 0.00 1.83 -3.96 0.00 -1.96 0.72 103.07 99.70 1h7d h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h7d h GLY 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1h7d n LYS 24 N -2.70 0.08 0.00 4.80 4.81 -1.26 -1.12 118.16 122.77 1h7d n LYS 24 Ca -0.02 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1h7d n LYS 24 Cb 0.29 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1h7d n LYS 24 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1h7d n VAL 25 N -1.41 0.00 0.10 3.15 0.31 0.23 -4.43 118.33 116.28 1h7d n VAL 25 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.34 1h7d n VAL 25 Cb 0.15 -0.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 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 0.00 -0.55 -0.41 3.52 0.00 -1.08 -2.70 119.26 118.04 1h7d h ALA 26 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1h7d h ALA 26 Cb 0.80 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1h7d h ALA 26 CO 0.00 -0.53 0.10 -0.22 0.00 0.00 0.00 179.25 178.60 1h7d h LYS 27 N -0.50 0.23 -1.18 0.00 1.63 -1.35 0.86 116.57 116.26 1h7d h LYS 27 Ca -0.03 -0.01 0.33 0.00 -0.85 0.00 0.00 60.65 60.09 1h7d h LYS 27 Cb 0.21 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 1h7d h LYS 27 CO 0.05 0.15 0.80 1.79 -3.45 0.00 0.00 179.45 178.78 1h7d h THR 28 N 0.23 0.40 0.22 1.00 1.35 -1.47 0.53 112.91 115.17 1h7d h THR 28 Ca 0.19 -0.06 -0.33 0.00 -0.55 0.00 0.00 66.41 65.67 1h7d h THR 28 Cb 0.22 0.20 0.03 0.00 -1.73 0.00 0.00 68.15 66.87 1h7d h THR 28 CO -0.24 0.03 -1.46 0.22 -0.25 0.00 0.00 175.52 173.82 1h7d h TYR 29 N 0.18 0.85 0.00 4.73 5.03 -0.54 -1.49 116.97 125.73 1h7d h TYR 29 Ca 0.63 -0.62 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1h7d h TYR 29 Cb 2.05 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.30 1h7d h TYR 29 CO -0.00 1.51 0.00 0.94 -1.32 0.00 0.00 178.16 179.29 1h7d n GLN 30 N -3.66 0.10 -0.03 1.82 7.27 0.17 -1.44 117.38 121.61 1h7d n GLN 30 Ca -0.16 0.53 0.01 0.00 0.07 0.00 0.00 57.00 57.45 1h7d n GLN 30 Cb 1.09 -1.79 -0.09 0.00 2.41 0.00 0.00 30.24 31.86 1h7d n GLN 30 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1h7d n PHE 31 N -2.00 0.00 -0.26 3.69 -0.00 -0.41 -4.13 117.46 114.35 1h7d n PHE 31 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.50 1h7d n PHE 31 Cb 0.07 -0.40 0.27 0.00 -0.00 0.00 0.00 39.48 39.43 1h7d n PHE 31 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1h7d n LEU 32 N -2.14 4.17 0.01 -2.13 4.77 -0.52 -4.17 117.00 116.99 1h7d n LEU 32 Ca -0.09 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1h7d n LEU 32 Cb 0.56 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1h7d n LEU 32 CO 0.24 0.51 -0.33 0.33 -1.33 0.00 0.00 177.39 176.81 1h7d n PHE 33 N 0.43 -0.09 -1.07 -1.77 7.35 -0.69 -4.80 117.46 116.82 1h7d n PHE 33 Ca 0.19 0.02 -0.24 0.00 -0.76 0.00 0.00 57.45 56.65 1h7d n PHE 33 Cb 0.88 0.08 -0.09 0.00 0.35 0.00 0.00 39.48 40.71 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 -3.04 6.56 -0.05 -2.13 7.64 -1.26 -3.73 113.62 117.61 1h7d n SER 34 Ca 0.00 -2.47 -0.05 0.00 1.01 0.00 0.00 58.87 57.37 1h7d n SER 34 Cb 0.33 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.07 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 3.17 0.63 0.00 0.44 5.41 -1.26 -5.02 119.36 122.73 1h7d n ILE 35 Ca 0.57 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1h7d n ILE 35 Cb 0.50 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 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 2.49 0.76 0.00 7.39 0.00 -1.24 -5.03 105.19 109.55 1h7d n GLY 36 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.23 1.61 1.74 -1.26 -4.39 116.66 114.58 1h7d n ARG 37 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1h7d n ARG 37 Cb 0.00 -0.14 -0.08 0.00 -1.02 0.00 0.00 32.46 31.22 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 -5.92 3.09 0.08 0.00 0.04 -1.26 -4.75 135.00 126.27 1h7d s PRO 39 Ca -0.16 -0.75 -0.13 0.00 0.04 0.00 0.00 61.00 60.00 1h7d s PRO 39 Cb 0.04 -5.22 -0.24 0.00 0.04 0.00 0.00 34.50 29.12 1h7d s PRO 39 CO 0.63 -2.79 1.18 0.97 0.04 0.00 0.00 177.00 177.02 1h7d h ILE 40 N 6.98 1.30 -1.35 0.56 2.10 -1.77 -3.42 117.51 121.91 1h7d h ILE 40 Ca 0.16 -2.35 -0.34 0.00 1.08 0.00 0.00 64.86 63.41 1h7d h ILE 40 Cb 1.00 2.49 -0.25 0.00 -1.09 0.00 0.00 36.82 38.98 1h7d h ILE 40 CO 1.32 0.72 -0.70 -0.11 -1.08 0.00 0.00 178.15 178.30 1h7d n LEU 41 N -3.81 -2.09 0.00 2.19 -0.00 -1.26 -4.99 117.00 107.03 1h7d n LEU 41 Ca -0.11 -3.61 0.00 0.00 -0.00 0.00 0.00 56.01 52.29 1h7d n LEU 41 Cb 0.91 0.70 0.00 0.00 -0.00 0.00 0.00 43.42 45.03 1h7d n LEU 41 CO 0.56 1.94 0.00 0.00 -0.00 0.00 0.00 177.39 179.89 1h7d n ALA 42 N 2.53 0.00 0.00 1.96 0.00 -1.26 -4.75 120.51 118.99 1h7d n ALA 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1h7d n ALA 42 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.00 -2.81 0.00 -1.04 -1.26 -3.26 114.28 105.90 1h7d n THR 43 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1h7d n THR 43 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.00 1.08 -0.91 -2.82 7.27 -1.26 -5.14 117.38 115.61 1h7d n GLN 44 Ca 0.00 -2.54 -0.13 0.00 0.07 0.00 0.00 57.00 54.40 1h7d n GLN 44 Cb 0.00 -0.98 0.09 0.00 2.41 0.00 0.00 30.24 31.76 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 -0.01 -1.15 0.12 1.69 0.00 -1.20 -5.03 105.19 99.62 1h7d n GLY 45 Ca 0.09 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 -0.19 0.00 1.61 0.13 -2.00 -3.47 132.00 128.07 1h7d h PRO 46 Ca -0.19 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1h7d h PRO 46 Cb 0.54 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1h7d h PRO 46 CO 0.14 0.20 0.00 2.41 -0.23 0.00 0.00 178.00 180.52 1h7d n THR 47 N -4.89 0.00 -2.43 1.56 -1.04 -1.26 -5.10 114.28 101.13 1h7d n THR 47 Ca -0.06 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1h7d n THR 47 Cb 0.24 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43