#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 -2.68 -1.31 3.17 0.31 -1.26 -4.97 118.33 111.59 1h7d n VAL 2 Ca 0.00 1.39 0.00 0.00 -0.01 0.00 0.00 64.34 65.72 1h7d n VAL 2 Cb 0.00 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 1h7d n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d n ALA 3 N -2.76 -0.61 -0.12 3.52 0.00 -1.26 -5.03 120.51 114.25 1h7d n ALA 3 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1h7d n ALA 3 Cb 0.50 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.22 0.95 -1.73 0.00 0.00 -1.26 -5.09 120.51 112.15 1h7d n ALA 4 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 1h7d n ALA 4 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 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 -3.88 -3.14 -0.70 0.00 0.00 -1.26 -4.87 120.51 106.66 1h7d n ALA 5 Ca -0.39 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1h7d n ALA 5 Cb 0.73 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.38 1h7d n ALA 5 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1h7d n MET 6 N 0.31 1.64 -1.27 0.00 0.00 -1.26 -4.52 117.12 112.02 1h7d n MET 6 Ca -0.07 -1.27 -0.24 0.00 0.00 0.00 0.00 57.70 56.11 1h7d n MET 6 Cb 0.11 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 31.83 1h7d n MET 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h7d n LEU 7 N 0.47 6.63 -2.67 4.03 4.77 -1.26 -4.72 117.00 124.25 1h7d n LEU 7 Ca 0.24 -3.83 -0.26 0.00 -0.03 0.00 0.00 56.01 52.13 1h7d n LEU 7 Cb 0.61 -1.14 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 1h7d n LEU 7 CO 0.30 1.52 2.40 0.18 -1.33 0.00 0.00 177.39 180.47 1h7d n LEU 8 N 0.46 6.97 -1.40 2.23 7.99 -1.26 -3.25 117.00 128.73 1h7d n LEU 8 Ca 0.43 -3.85 -0.01 0.00 -0.01 0.00 0.00 56.01 52.58 1h7d n LEU 8 Cb 0.56 -1.46 0.01 0.00 -0.11 0.00 0.00 43.42 42.42 1h7d n LEU 8 CO 0.40 1.88 0.25 -2.11 -1.51 0.00 0.00 177.39 176.30 1h7d n ARG 9 N 2.77 0.19 -1.71 3.23 1.85 -1.26 -5.00 116.66 116.73 1h7d n ARG 9 Ca 0.59 -0.23 -0.32 0.00 -1.00 0.00 0.00 57.85 56.90 1h7d n ARG 9 Cb 0.57 0.20 0.05 0.00 -1.05 0.00 0.00 32.46 32.23 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 -0.22 6.64 -4.00 2.89 2.88 -1.20 -4.96 113.62 115.65 1h7d n SER 10 Ca -0.04 -3.78 -0.10 0.00 -1.33 0.00 0.00 58.87 53.62 1h7d n SER 10 Cb 0.51 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.64 3.92 0.00 0.00 0.04 -1.26 -4.93 135.00 131.14 1h7d s PRO 12 Ca -0.14 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1h7d s PRO 12 Cb -0.09 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1h7d s PRO 12 CO -0.01 -0.34 0.00 1.33 0.04 0.00 0.00 177.00 178.02 1h7d n VAL 13 N -0.67 0.00 -2.07 -0.36 0.24 -1.26 -4.90 118.33 109.32 1h7d n VAL 13 Ca 0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.00 1h7d n VAL 13 Cb 0.51 -0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 -2.29 7.37 -2.89 1.34 4.77 -1.26 -4.82 117.00 119.21 1h7d n LEU 14 Ca 0.00 -4.88 -0.25 0.00 -0.03 0.00 0.00 56.01 50.86 1h7d n LEU 14 Cb 0.00 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 39.87 1h7d n LEU 14 CO 0.00 1.87 2.47 -0.24 -1.33 0.00 0.00 177.39 180.16 1h7d n SER 15 N 0.09 6.18 -1.82 -1.43 2.88 -1.26 -3.39 113.62 114.87 1h7d n SER 15 Ca 0.52 -2.41 -0.04 0.00 -1.33 0.00 0.00 58.87 55.61 1h7d n SER 15 Cb 0.30 -1.29 0.03 0.00 -0.75 0.00 0.00 64.21 62.50 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 3.47 0.67 0.00 -1.46 3.00 -1.26 -4.47 117.38 117.33 1h7d n GLN 16 Ca 0.55 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 1h7d n GLN 16 Cb 0.36 0.43 0.00 0.00 0.00 0.00 0.00 30.24 31.02 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 -0.74 -0.11 0.00 1.08 0.00 -1.22 -3.34 105.19 100.86 1h7d n GLY 17 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.92 0.75 0.00 1.61 -0.04 -1.26 -3.39 135.00 130.76 1h7d n PRO 18 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h7d n PRO 18 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1h7d n PRO 18 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h7d n THR 19 N -0.99 0.00 -0.15 0.52 -2.24 -1.26 -4.89 114.28 105.26 1h7d n THR 19 Ca 0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1h7d n THR 19 Cb 0.08 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1h7d n THR 19 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1h7d h GLY 20 N 0.00 -0.73 -4.01 3.38 0.00 -1.67 -3.48 103.07 96.56 1h7d h GLY 20 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1h7d h GLY 20 CO 0.00 -0.15 -0.74 -0.10 0.00 0.00 0.00 176.54 175.55 1h7d n LEU 21 N -5.40 -4.31 -0.36 3.11 0.00 -1.21 -4.69 117.00 104.14 1h7d n LEU 21 Ca -0.01 1.06 -0.02 0.00 0.00 0.00 0.00 56.01 57.04 1h7d n LEU 21 Cb 0.35 -2.16 0.11 0.00 0.00 0.00 0.00 43.42 41.71 1h7d n LEU 21 CO 0.02 -1.94 1.28 0.17 0.00 0.00 0.00 177.39 176.91 1h7d h LEU 22 N 1.93 1.10 -1.41 -1.96 -0.00 -1.86 -1.22 115.31 111.90 1h7d h LEU 22 Ca -0.22 -0.03 0.14 0.00 -0.00 0.00 0.00 57.88 57.78 1h7d h LEU 22 Cb 0.50 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.83 1h7d h LEU 22 CO 0.02 0.79 0.54 1.23 -0.00 0.00 0.00 178.44 181.02 1h7d h GLY 23 N 1.30 0.99 1.40 0.17 0.00 -1.98 1.18 103.07 106.14 1h7d h GLY 23 Ca 0.36 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 1h7d h GLY 23 CO -0.08 0.08 -0.45 1.70 0.00 0.00 0.00 176.54 177.79 1h7d h LYS 24 N 0.58 0.64 0.00 4.80 1.63 -1.51 0.71 116.57 123.42 1h7d h LYS 24 Ca 0.41 -0.35 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1h7d h LYS 24 Cb 0.75 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1h7d h LYS 24 CO -0.17 0.96 -0.17 0.28 -3.45 0.00 0.00 179.45 176.91 1h7d h VAL 25 N 0.52 0.30 0.14 2.00 2.07 -0.28 -2.56 116.25 118.44 1h7d h VAL 25 Ca 0.03 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1h7d h VAL 25 Cb 0.98 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1h7d h VAL 25 CO 0.09 0.16 -0.07 0.00 0.02 0.00 0.00 177.57 177.78 1h7d h ALA 26 N 1.83 -0.19 0.14 1.67 0.00 0.17 -3.02 119.26 119.85 1h7d h ALA 26 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1h7d h ALA 26 Cb 1.08 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1h7d h ALA 26 CO 0.02 -0.18 -0.46 -0.22 0.00 0.00 0.00 179.25 178.41 1h7d h LYS 27 N -1.04 -0.68 -0.84 0.00 3.64 -0.97 1.35 116.57 118.04 1h7d h LYS 27 Ca -0.02 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1h7d h LYS 27 Cb 0.22 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 1h7d h LYS 27 CO 0.03 -0.45 -0.49 2.41 -2.27 0.00 0.00 179.45 178.67 1h7d n THR 28 N -5.48 -0.57 -0.19 1.00 -1.04 -0.97 0.39 114.28 107.43 1h7d n THR 28 Ca -0.08 2.24 -0.08 0.00 -2.04 0.00 0.00 64.05 64.09 1h7d n THR 28 Cb 0.40 -2.79 0.02 0.00 -1.82 0.00 0.00 70.33 66.13 1h7d n THR 28 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1h7d h TYR 29 N 0.00 0.81 0.00 -1.42 -1.99 -1.32 0.53 116.97 113.58 1h7d h TYR 29 Ca 0.13 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1h7d h TYR 29 Cb 0.34 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1h7d h TYR 29 CO -1.00 0.67 0.19 0.37 -0.00 0.00 0.00 178.16 178.39 1h7d h GLN 30 N 0.71 0.00 0.00 4.88 5.75 0.50 0.65 115.11 127.60 1h7d h GLN 30 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1h7d h GLN 30 Cb 0.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1h7d h GLN 30 CO -0.01 0.00 -1.41 0.34 -2.65 0.00 0.00 178.83 175.09 1h7d n PHE 31 N -2.86 0.00 -0.81 3.99 7.35 0.16 -4.38 117.46 120.91 1h7d n PHE 31 Ca -0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.75 1h7d n PHE 31 Cb 0.24 -0.24 0.33 0.00 0.35 0.00 0.00 39.48 40.16 1h7d n PHE 31 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1h7d n LEU 32 N -1.83 4.68 -0.07 -2.13 4.77 0.18 -4.20 117.00 118.40 1h7d n LEU 32 Ca -0.02 -2.76 -0.17 0.00 -0.03 0.00 0.00 56.01 53.03 1h7d n LEU 32 Cb 0.30 -0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1h7d n LEU 32 CO 0.25 0.70 0.04 0.15 -1.33 0.00 0.00 177.39 177.20 1h7d h PHE 33 N 3.16 0.06 -1.77 -1.77 3.57 -0.07 -3.43 116.94 116.69 1h7d h PHE 33 Ca 0.00 -0.04 -0.49 0.00 3.53 0.00 0.00 57.97 60.96 1h7d h PHE 33 Cb 1.58 -0.00 -0.36 0.00 2.79 0.00 0.00 35.95 39.95 1h7d h PHE 33 CO 0.75 1.20 -1.07 0.45 -2.23 0.00 0.00 178.31 177.42 1h7d n SER 34 N -4.49 0.07 0.22 0.41 2.88 -1.26 -4.92 113.62 106.53 1h7d n SER 34 Ca -0.18 -2.89 0.06 0.00 -1.33 0.00 0.00 58.87 54.53 1h7d n SER 34 Cb 0.59 -0.34 0.52 0.00 -0.75 0.00 0.00 64.21 64.22 1h7d n SER 34 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1h7d h ILE 35 N 1.77 1.05 0.00 2.46 2.10 -1.83 -3.45 117.51 119.61 1h7d h ILE 35 Ca 0.06 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1h7d h ILE 35 Cb 0.93 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1h7d h ILE 35 CO 0.45 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 178.33 1h7d n GLY 36 N -0.85 4.01 2.63 8.18 0.00 -1.26 -5.10 105.19 112.81 1h7d n GLY 36 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 1.11 -2.65 1.61 0.63 -1.26 -4.98 116.66 111.12 1h7d n ARG 37 Ca 0.00 -2.35 -0.04 0.00 -0.92 0.00 0.00 57.85 54.55 1h7d n ARG 37 Cb 0.00 -0.77 0.09 0.00 0.45 0.00 0.00 32.46 32.22 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h7d s PRO 39 N 0.00 2.92 -0.33 0.00 0.04 -1.26 -4.80 135.00 131.57 1h7d s PRO 39 Ca 0.24 0.14 0.12 0.00 0.04 0.00 0.00 61.00 61.54 1h7d s PRO 39 Cb 0.22 -4.32 0.46 0.00 0.04 0.00 0.00 34.50 30.90 1h7d s PRO 39 CO -0.08 -2.45 1.11 -0.89 0.04 0.00 0.00 177.00 174.73 1h7d n ILE 40 N 6.81 1.98 -3.91 0.56 5.41 -1.26 -4.97 119.36 123.97 1h7d n ILE 40 Ca 0.12 -3.95 -0.36 0.00 1.00 0.00 0.00 62.75 59.56 1h7d n ILE 40 Cb 0.50 -0.37 0.02 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.52 -1.26 -2.95 1.39 7.99 -1.26 -3.37 117.00 117.01 1h7d n LEU 41 Ca 0.29 -1.12 -0.01 0.00 -0.01 0.00 0.00 56.01 55.16 1h7d n LEU 41 Cb 0.83 -1.75 -0.01 0.00 -0.11 0.00 0.00 43.42 42.38 1h7d n LEU 41 CO 0.29 0.58 -0.39 0.00 -1.51 0.00 0.00 177.39 176.35 1h7d n ALA 42 N -4.02 -2.35 0.02 -1.18 0.00 -1.26 -4.86 120.51 106.85 1h7d n ALA 42 Ca -0.18 0.57 -0.07 0.00 0.00 0.00 0.00 53.44 53.76 1h7d n ALA 42 Cb 0.61 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1h7d n ALA 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h7d h THR 43 N 4.01 0.00 0.00 0.00 2.02 -1.91 -3.43 112.91 113.60 1h7d h THR 43 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1h7d h THR 43 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1h7d h THR 43 CO 0.02 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.58 1h7d n GLN 44 N -3.92 0.00 -3.89 6.66 7.27 -1.26 -5.14 117.38 117.10 1h7d n GLN 44 Ca -0.03 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.82 1h7d n GLN 44 Cb 0.19 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.79 1h7d n GLN 44 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1h7d s GLY 45 N 0.00 1.77 0.98 1.69 0.00 -1.26 -5.13 107.32 105.37 1h7d s GLY 45 Ca 0.00 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 42.92 1h7d s GLY 45 CO 0.00 -1.60 1.17 2.56 0.00 0.00 0.00 173.10 175.23 1h7d s PRO 46 N -3.95 0.57 -0.99 2.90 0.04 -1.26 -4.99 135.00 127.32 1h7d s PRO 46 Ca 0.40 0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.47 1h7d s PRO 46 Cb -0.05 -1.79 0.27 0.00 0.04 0.00 0.00 34.50 32.96 1h7d s PRO 46 CO 0.26 -2.54 1.10 2.41 0.04 0.00 0.00 177.00 178.26 1h7d n THR 47 N -3.96 4.13 0.00 1.26 -1.04 -1.26 -4.82 114.28 108.59 1h7d n THR 47 Ca 0.10 -5.47 0.00 0.00 -2.04 0.00 0.00 64.05 56.64 1h7d n THR 47 Cb 0.59 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43