#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7d n VAL 2 N 0.00 3.78 0.00 3.17 3.14 -1.26 -4.96 118.33 122.20 1h7d n VAL 2 Ca 0.00 -4.89 0.00 0.00 -2.96 0.00 0.00 64.34 56.49 1h7d n VAL 2 Cb 0.00 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1h7d n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1h7d n ALA 3 N -0.41 -2.23 -3.44 1.55 0.00 -1.26 -4.96 120.51 109.77 1h7d n ALA 3 Ca 0.47 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.65 1h7d n ALA 3 Cb 0.35 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.30 3.42 0.44 0.00 0.00 -1.26 -4.94 120.51 117.87 1h7d n ALA 4 Ca 0.00 -4.22 -0.18 0.00 0.00 0.00 0.00 53.44 49.04 1h7d n ALA 4 Cb 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1h7d n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d h ALA 5 N 4.47 -1.14 -4.92 0.00 0.00 -1.99 -3.48 119.26 112.19 1h7d h ALA 5 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1h7d h ALA 5 Cb 0.76 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1h7d h ALA 5 CO 0.68 -1.07 -0.42 -0.12 0.00 0.00 0.00 179.25 178.32 1h7d n MET 6 N -5.54 -2.01 -3.06 0.00 0.00 -1.26 -5.02 117.12 100.23 1h7d n MET 6 Ca -0.14 1.87 -0.17 0.00 -0.00 0.00 0.00 57.70 59.26 1h7d n MET 6 Cb 0.45 -5.03 -0.01 0.00 0.00 0.00 0.00 33.22 28.63 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 -0.34 -0.26 -3.46 -0.89 7.94 -1.26 -4.97 117.00 113.77 1h7d n LEU 7 Ca 0.10 -4.54 -0.21 0.00 -1.11 0.00 0.00 56.01 50.25 1h7d n LEU 7 Cb 0.39 0.75 0.04 0.00 0.53 0.00 0.00 43.42 45.13 1h7d n LEU 7 CO 0.40 2.17 0.02 0.18 -1.11 0.00 0.00 177.39 179.06 1h7d n LEU 8 N 0.67 -4.24 -2.68 -1.96 4.32 -1.26 -4.94 117.00 106.90 1h7d n LEU 8 Ca 0.19 -0.76 -0.05 0.00 -0.02 0.00 0.00 56.01 55.37 1h7d n LEU 8 Cb 0.64 -2.72 0.10 0.00 -1.62 0.00 0.00 43.42 39.82 1h7d n LEU 8 CO 0.16 0.07 0.61 -2.11 -1.22 0.00 0.00 177.39 174.90 1h7d n ARG 9 N -3.35 0.43 0.19 3.23 1.85 -1.26 -5.02 116.66 112.73 1h7d n ARG 9 Ca -0.09 -1.08 0.00 0.00 -1.00 0.00 0.00 57.85 55.68 1h7d n ARG 9 Cb 0.59 -0.39 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 1h7d n ARG 9 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1h7d n SER 10 N 0.35 -2.57 -4.83 2.89 7.64 -1.26 -4.93 113.62 110.92 1h7d n SER 10 Ca -0.04 0.70 -0.33 0.00 1.01 0.00 0.00 58.87 60.22 1h7d n SER 10 Cb 0.74 2.49 -0.06 0.00 -1.01 0.00 0.00 64.21 66.36 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7d n PRO 12 N -0.67 -0.38 0.05 0.00 -0.04 -1.26 -4.97 135.00 127.73 1h7d n PRO 12 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1h7d n PRO 12 Cb 0.54 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.10 1h7d n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h7d n VAL 13 N -2.09 0.32 0.00 0.52 0.31 -1.26 -4.95 118.33 111.18 1h7d n VAL 13 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1h7d n VAL 13 Cb 0.00 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -2.12 0.00 0.00 7.52 0.00 -1.26 -4.71 117.00 116.42 1h7d n LEU 14 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.03 1h7d n LEU 14 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1h7d n LEU 14 CO 0.38 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.53 1h7d n SER 15 N 2.46 0.00 -3.46 1.96 2.88 -1.26 -4.59 113.62 111.60 1h7d n SER 15 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1h7d n SER 15 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 4.59 0.00 -1.46 6.02 -1.26 -4.69 117.38 120.57 1h7d n GLN 16 Ca 0.00 -4.72 0.00 0.00 -0.01 0.00 0.00 57.00 52.27 1h7d n GLN 16 Cb 0.00 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 28.86 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 0.07 0.08 3.78 1.08 0.00 -1.26 -5.11 105.19 103.81 1h7d n GLY 17 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.37 0.57 -0.15 1.61 0.04 -1.26 -4.55 135.00 130.88 1h7d s PRO 18 Ca 0.00 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 60.98 1h7d s PRO 18 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1h7d s PRO 18 CO 0.00 -2.54 0.22 0.25 0.04 0.00 0.00 177.00 174.97 1h7d n THR 19 N -3.96 -2.70 -2.65 1.26 -2.24 -1.26 -4.87 114.28 97.86 1h7d n THR 19 Ca 0.10 0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.90 1h7d n THR 19 Cb 0.59 -3.21 -0.00 0.00 -2.10 0.00 0.00 70.33 65.62 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h7d n GLY 20 N 0.80 5.88 3.30 3.38 0.00 -1.26 -4.91 105.19 112.38 1h7d n GLY 20 Ca -0.03 -2.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.05 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 -0.22 -4.37 0.41 0.99 4.77 -1.26 -4.66 117.00 112.66 1h7d n LEU 21 Ca 0.41 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 1h7d n LEU 21 Cb 0.34 -2.24 -0.09 0.00 -2.33 0.00 0.00 43.42 39.10 1h7d n LEU 21 CO 0.44 -0.79 0.56 0.25 -1.33 0.00 0.00 177.39 176.52 1h7d h LEU 22 N 1.91 -0.87 -1.28 2.23 7.12 -1.97 -1.49 115.31 120.96 1h7d h LEU 22 Ca -0.38 0.01 0.39 0.00 0.13 0.00 0.00 57.88 58.04 1h7d h LEU 22 Cb 1.27 0.22 -0.13 0.00 -0.53 0.00 0.00 40.66 41.49 1h7d h LEU 22 CO 0.23 -0.57 0.74 1.23 -0.13 0.00 0.00 178.44 179.94 1h7d h GLY 23 N -1.10 1.55 0.95 3.75 0.00 -1.98 1.69 103.07 107.93 1h7d h GLY 23 Ca -0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1h7d h GLY 23 CO 0.17 -0.43 -0.27 1.70 0.00 0.00 0.00 176.54 177.71 1h7d h LYS 24 N 0.16 0.67 0.00 4.80 3.11 -1.79 -2.32 116.57 121.20 1h7d h LYS 24 Ca 0.78 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 1h7d h LYS 24 Cb 2.24 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.48 1h7d h LYS 24 CO -0.48 0.96 0.00 0.28 -2.81 0.00 0.00 179.45 177.40 1h7d h VAL 25 N 0.41 0.00 0.33 2.00 2.07 0.28 -3.11 116.25 118.22 1h7d h VAL 25 Ca 0.05 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1h7d h VAL 25 Cb 0.83 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1h7d h VAL 25 CO 0.07 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.50 1h7d h ALA 26 N 2.32 -0.53 -0.48 1.67 0.00 0.22 -2.91 119.26 119.55 1h7d h ALA 26 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1h7d h ALA 26 Cb 0.61 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1h7d h ALA 26 CO 0.00 -0.50 -0.41 -0.22 0.00 0.00 0.00 179.25 178.12 1h7d h LYS 27 N -0.92 -0.26 -0.96 0.00 3.11 -1.48 1.27 116.57 117.33 1h7d h LYS 27 Ca -0.05 0.02 0.11 0.00 -2.81 0.00 0.00 60.65 57.92 1h7d h LYS 27 Cb 0.34 0.06 -0.13 0.00 -1.00 0.00 0.00 32.23 31.50 1h7d h LYS 27 CO 0.08 -0.18 -0.53 1.15 -2.81 0.00 0.00 179.45 177.16 1h7d h THR 28 N -0.27 0.00 -0.52 1.00 2.02 -1.64 0.31 112.91 113.80 1h7d h THR 28 Ca 0.16 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 1h7d h THR 28 Cb 0.57 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1h7d h THR 28 CO -0.62 0.00 -0.06 0.22 0.37 0.00 0.00 175.52 175.44 1h7d h TYR 29 N -0.02 1.06 -0.18 3.16 5.03 -0.93 0.87 116.97 125.96 1h7d h TYR 29 Ca 0.21 -0.20 0.05 0.00 2.58 0.00 0.00 58.73 61.37 1h7d h TYR 29 Cb 0.48 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 1h7d h TYR 29 CO -0.96 0.99 0.50 0.37 -1.32 0.00 0.00 178.16 177.74 1h7d h GLN 30 N 0.83 0.00 0.00 1.82 5.75 0.52 0.37 115.11 124.39 1h7d h GLN 30 Ca 0.14 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.43 1h7d h GLN 30 Cb 0.60 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1h7d h GLN 30 CO 0.04 0.00 -1.71 0.34 -2.65 0.00 0.00 178.83 174.85 1h7d n PHE 31 N -3.09 0.00 -0.18 3.99 -0.00 -0.10 -4.56 117.46 113.51 1h7d n PHE 31 Ca 0.02 0.00 0.25 0.00 -0.00 0.00 0.00 57.45 57.73 1h7d n PHE 31 Cb 0.59 -0.46 0.66 0.00 -0.00 0.00 0.00 39.48 40.27 1h7d n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1h7d h LEU 32 N -0.42 0.12 -1.89 -2.13 3.38 0.12 0.16 115.31 114.64 1h7d h LEU 32 Ca -0.32 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.09 1h7d h LEU 32 Cb 1.29 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1h7d h LEU 32 CO -0.18 0.04 1.03 0.15 0.09 0.00 0.00 178.44 179.57 1h7d h PHE 33 N 0.12 0.10 -1.78 1.13 3.57 -0.48 -3.26 116.94 116.35 1h7d h PHE 33 Ca 0.43 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.67 1h7d h PHE 33 Cb 1.50 -0.03 -0.29 0.00 2.79 0.00 0.00 35.95 39.92 1h7d h PHE 33 CO -0.00 -0.02 -0.59 0.45 -2.23 0.00 0.00 178.31 175.92 1h7d s SER 34 N -4.67 0.65 -0.15 0.41 0.15 0.55 -4.97 113.70 105.66 1h7d s SER 34 Ca -0.06 -0.88 0.13 0.00 0.70 0.00 0.00 55.95 55.84 1h7d s SER 34 Cb 0.25 0.92 -0.18 0.00 -1.71 0.00 0.00 66.02 65.30 1h7d s SER 34 CO 0.84 -0.31 0.04 2.30 1.20 0.00 0.00 173.24 177.31 1h7d n ILE 35 N 4.88 1.01 -0.83 6.45 -5.35 -1.23 -4.94 119.36 119.35 1h7d n ILE 35 Ca 0.05 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1h7d n ILE 35 Cb 0.48 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h7d n GLY 36 N 2.11 -0.05 0.05 3.28 0.00 -1.26 -5.04 105.19 104.28 1h7d n GLY 36 Ca -0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1h7d n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h7d n ARG 37 N -0.29 1.43 0.00 1.61 0.00 -1.26 -5.06 116.66 113.09 1h7d n ARG 37 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1h7d n ARG 37 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.12 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h7d h PRO 39 N 0.00 -0.13 -7.07 0.00 0.13 -2.02 -3.46 132.00 119.46 1h7d h PRO 39 Ca 0.00 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.53 1h7d h PRO 39 Cb 0.00 0.03 -0.26 0.00 0.13 0.00 0.00 31.00 30.90 1h7d h PRO 39 CO 0.00 -0.09 -0.93 -0.89 -0.23 0.00 0.00 178.00 175.86 1h7d n ILE 40 N -3.19 -0.79 0.00 -3.56 5.41 -1.26 0.53 119.36 116.50 1h7d n ILE 40 Ca -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1h7d n ILE 40 Cb 0.05 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 1h7d n ILE 40 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1h7d n LEU 41 N -4.37 0.00 0.00 1.39 4.77 -1.26 -4.77 117.00 112.76 1h7d n LEU 41 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1h7d n LEU 41 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1h7d n LEU 41 CO 0.89 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.95 1h7d n ALA 42 N 0.00 0.00 -2.66 -1.18 0.00 0.19 -2.64 120.51 114.22 1h7d n ALA 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1h7d n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1h7d n ALA 42 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1h7d n THR 43 N 0.00 0.00 -2.62 0.00 5.66 -1.26 -5.01 114.28 111.05 1h7d n THR 43 Ca 0.00 -0.62 -0.02 0.00 -3.05 0.00 0.00 64.05 60.36 1h7d n THR 43 Cb 0.00 0.64 0.11 0.00 -1.55 0.00 0.00 70.33 69.53 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1h7d n GLN 44 N -0.35 1.25 0.00 1.09 7.27 -1.08 -4.75 117.38 120.80 1h7d n GLN 44 Ca -0.25 -1.16 0.00 0.00 0.07 0.00 0.00 57.00 55.66 1h7d n GLN 44 Cb 0.66 0.42 0.00 0.00 2.41 0.00 0.00 30.24 33.73 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 -1.42 0.85 2.36 1.69 0.00 -1.26 -4.28 105.19 103.13 1h7d n GLY 45 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.02 2.35 -3.96 1.61 -0.04 -1.26 -4.62 135.00 128.06 1h7d n PRO 46 Ca 0.00 -1.43 -0.37 0.00 -0.04 0.00 0.00 63.50 61.65 1h7d n PRO 46 Cb 0.00 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1h7d n PRO 46 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h7d n THR 47 N 3.50 -2.71 -3.48 0.52 -2.24 -1.26 -4.89 114.28 103.73 1h7d n THR 47 Ca 0.50 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.56 1h7d n THR 47 Cb 0.34 -2.35 -0.07 0.00 -2.10 0.00 0.00 70.33 66.14 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50