#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 1.17 -0.88 3.17 -7.23 -1.26 -5.04 120.40 110.34 1h7d s VAL 2 Ca 0.00 -1.71 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1h7d s VAL 2 Cb 0.00 -1.48 -0.18 0.00 0.56 0.00 0.00 36.38 35.28 1h7d s VAL 2 CO 0.00 -0.49 1.91 0.00 -0.31 0.00 0.00 175.10 176.21 1h7d n ALA 3 N 0.50 1.83 -2.68 1.32 0.00 -1.26 -4.71 120.51 115.50 1h7d n ALA 3 Ca -0.15 -2.92 -0.39 0.00 0.00 0.00 0.00 53.44 49.97 1h7d n ALA 3 Cb 0.57 -3.54 0.01 0.00 0.00 0.00 0.00 19.45 16.49 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 12.59 5.89 0.00 0.00 0.00 -1.26 -4.80 120.51 132.93 1h7d n ALA 4 Ca 0.46 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1h7d n ALA 4 Cb 0.44 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.06 0.00 -3.67 0.00 0.00 -1.26 -4.67 120.51 110.85 1h7d n ALA 5 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.63 1h7d n ALA 5 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.20 0.01 0.00 0.00 -1.26 -4.86 117.12 109.80 1h7d n MET 6 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 1h7d n MET 6 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 33.22 29.69 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 -3.33 -0.08 -2.22 -0.89 7.94 -1.26 -5.13 117.00 112.02 1h7d n LEU 7 Ca -0.16 0.04 -0.04 0.00 -1.11 0.00 0.00 56.01 54.74 1h7d n LEU 7 Cb 0.61 0.21 -0.03 0.00 0.53 0.00 0.00 43.42 44.74 1h7d n LEU 7 CO 0.64 -0.50 -0.46 0.18 -1.11 0.00 0.00 177.39 176.14 1h7d n LEU 8 N -2.56 -5.00 -2.66 -1.96 4.32 -1.26 -5.04 117.00 102.84 1h7d n LEU 8 Ca 0.00 1.72 -0.06 0.00 -0.02 0.00 0.00 56.01 57.66 1h7d n LEU 8 Cb 0.00 -2.63 0.09 0.00 -1.62 0.00 0.00 43.42 39.27 1h7d n LEU 8 CO 0.00 -2.76 0.54 -2.11 -1.22 0.00 0.00 177.39 171.84 1h7d n ARG 9 N 1.23 1.01 -0.10 3.23 1.85 -1.26 -4.99 116.66 117.64 1h7d n ARG 9 Ca -0.26 -1.51 -0.21 0.00 -1.00 0.00 0.00 57.85 54.88 1h7d n ARG 9 Cb 0.40 0.02 -0.07 0.00 -1.05 0.00 0.00 32.46 31.76 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 -0.68 1.47 -4.76 2.89 2.88 -1.26 -5.00 113.62 109.16 1h7d n SER 10 Ca -0.09 0.25 -0.35 0.00 -1.33 0.00 0.00 58.87 57.35 1h7d n SER 10 Cb 0.81 -0.61 0.02 0.00 -0.75 0.00 0.00 64.21 63.68 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d h PRO 12 N 0.94 0.00 -3.85 0.00 0.13 -1.94 -3.47 132.00 123.81 1h7d h PRO 12 Ca -0.50 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.26 1h7d h PRO 12 Cb 1.28 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1h7d h PRO 12 CO 0.56 0.51 -0.54 0.28 -0.23 0.00 0.00 178.00 178.57 1h7d n VAL 13 N -3.47 -1.68 0.09 1.56 0.31 -1.26 -4.80 118.33 109.08 1h7d n VAL 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1h7d n VAL 13 Cb 0.63 -3.18 0.00 0.00 -0.91 0.00 0.00 33.84 30.38 1h7d n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h7d n LEU 14 N -3.51 -0.03 0.19 7.52 4.77 -1.26 -5.09 117.00 119.59 1h7d n LEU 14 Ca -0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1h7d n LEU 14 Cb 0.62 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1h7d n LEU 14 CO 0.40 -0.70 0.00 -0.24 -1.33 0.00 0.00 177.39 175.52 1h7d n SER 15 N -3.18 -3.47 0.00 -1.43 2.88 -1.26 -5.05 113.62 102.12 1h7d n SER 15 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1h7d n SER 15 Cb 0.00 3.31 0.00 0.00 -0.75 0.00 0.00 64.21 66.77 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1h7d n GLN 16 N -3.35 0.00 0.00 -1.46 0.00 -1.26 -5.00 117.38 106.31 1h7d n GLN 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1h7d n GLN 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 -1.35 -1.80 0.13 1.69 0.00 -1.26 -4.81 105.19 97.79 1h7d n GLY 17 Ca 0.00 0.61 0.13 0.00 0.00 0.00 0.00 46.02 46.76 1h7d n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h7d h PRO 18 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.47 132.00 128.24 1h7d h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1h7d h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1h7d h PRO 18 CO 0.00 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.18 1h7d n THR 19 N -2.34 0.00 0.00 1.56 -1.04 -1.26 -4.00 114.28 107.20 1h7d n THR 19 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1h7d n THR 19 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 0.35 3.28 3.41 0.00 -1.26 -4.86 105.19 106.11 1h7d n GLY 20 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.36 0.02 0.99 4.77 -1.26 -4.92 117.00 111.25 1h7d n LEU 21 Ca 0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1h7d n LEU 21 Cb 0.00 -3.20 0.00 0.00 -2.33 0.00 0.00 43.42 37.89 1h7d n LEU 21 CO 0.00 0.15 0.00 -0.11 -1.33 0.00 0.00 177.39 176.10 1h7d n LEU 22 N -3.39 -0.15 0.22 2.23 7.94 -1.26 -4.83 117.00 117.77 1h7d n LEU 22 Ca -0.11 0.08 0.15 0.00 -1.11 0.00 0.00 56.01 55.03 1h7d n LEU 22 Cb 0.63 0.25 0.81 0.00 0.53 0.00 0.00 43.42 45.64 1h7d n LEU 22 CO 0.59 -0.51 1.13 1.23 -1.11 0.00 0.00 177.39 178.73 1h7d h GLY 23 N 0.00 0.00 2.00 -3.96 0.00 -1.99 0.54 103.07 99.66 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 0.07 0.00 0.00 0.00 176.54 176.61 1h7d h LYS 24 N 0.00 0.00 0.00 4.80 2.10 -1.98 -0.57 116.57 120.92 1h7d h LYS 24 Ca 0.06 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.44 1h7d h LYS 24 Cb 0.31 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.59 1h7d h LYS 24 CO -0.00 0.00 -1.94 0.28 -2.00 0.00 0.00 179.45 175.79 1h7d n VAL 25 N -2.77 1.31 0.07 0.07 0.31 0.18 -4.03 118.33 113.46 1h7d n VAL 25 Ca 0.02 -0.78 -0.08 0.00 -0.01 0.00 0.00 64.34 63.49 1h7d n VAL 25 Cb 0.34 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.55 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 1.17 -0.27 -0.99 3.52 0.00 -0.86 -3.00 119.26 118.83 1h7d h ALA 26 Ca -0.34 -0.17 0.30 0.00 0.00 0.00 0.00 54.91 54.69 1h7d h ALA 26 Cb 1.94 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.65 1h7d h ALA 26 CO 0.05 -0.30 0.13 1.57 0.00 0.00 0.00 179.25 180.70 1h7d h LYS 27 N -0.98 0.02 -0.27 0.00 2.10 -1.32 1.45 116.57 117.57 1h7d h LYS 27 Ca -0.03 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1h7d h LYS 27 Cb 0.44 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 1h7d h LYS 27 CO 0.05 0.01 0.10 1.15 -2.00 0.00 0.00 179.45 178.76 1h7d h THR 28 N 0.02 0.94 -0.17 0.07 2.02 -1.70 -2.03 112.91 112.06 1h7d h THR 28 Ca 0.64 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.63 1h7d h THR 28 Cb 1.41 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1h7d h THR 28 CO -0.88 0.04 -0.39 0.22 0.37 0.00 0.00 175.52 174.88 1h7d h TYR 29 N 0.23 0.43 0.00 3.16 3.20 0.16 0.13 116.97 124.28 1h7d h TYR 29 Ca 0.12 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1h7d h TYR 29 Cb 0.08 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1h7d h TYR 29 CO -0.12 0.71 0.00 0.94 -1.64 0.00 0.00 178.16 178.04 1h7d n GLN 30 N -4.04 0.12 -0.07 1.82 -0.06 0.32 -1.13 117.38 114.35 1h7d n GLN 30 Ca -0.01 0.57 -0.11 0.00 -2.00 0.00 0.00 57.00 55.45 1h7d n GLN 30 Cb 0.48 -1.86 -0.06 0.00 -4.06 0.00 0.00 30.24 24.75 1h7d n GLN 30 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1h7d n PHE 31 N -2.11 0.00 -0.36 3.69 7.35 -0.85 -4.51 117.46 120.67 1h7d n PHE 31 Ca -0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.73 1h7d n PHE 31 Cb 0.06 -0.50 0.21 0.00 0.35 0.00 0.00 39.48 39.61 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 -0.16 0.98 -1.59 -2.13 3.38 -0.50 0.73 115.31 116.02 1h7d h LEU 32 Ca -0.31 0.03 0.11 0.00 0.09 0.00 0.00 57.88 57.80 1h7d h LEU 32 Cb 1.40 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1h7d h LEU 32 CO -0.10 0.58 0.44 0.15 0.09 0.00 0.00 178.44 179.60 1h7d h PHE 33 N 1.08 0.49 -1.23 1.13 3.04 -1.37 -2.68 116.94 117.40 1h7d h PHE 33 Ca 0.46 0.01 -0.75 0.00 3.98 0.00 0.00 57.97 61.68 1h7d h PHE 33 Cb 0.32 -0.16 -0.13 0.00 2.56 0.00 0.00 35.95 38.54 1h7d h PHE 33 CO -0.00 0.22 2.33 0.45 -2.02 0.00 0.00 178.31 179.29 1h7d n SER 34 N -4.48 7.89 -0.10 0.41 2.88 0.25 -4.34 113.62 116.13 1h7d n SER 34 Ca 0.11 -3.17 -0.11 0.00 -1.33 0.00 0.00 58.87 54.37 1h7d n SER 34 Cb 0.40 -1.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.35 1h7d n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n ILE 35 N 1.69 1.40 -2.52 2.46 3.06 -1.01 -4.86 119.36 119.59 1h7d n ILE 35 Ca 0.61 -0.83 -0.42 0.00 -2.50 0.00 0.00 62.75 59.61 1h7d n ILE 35 Cb 0.25 -0.58 -0.03 0.00 0.54 0.00 0.00 39.64 39.83 1h7d n ILE 35 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1h7d s GLY 36 N -5.61 2.15 -0.34 4.50 0.00 -1.26 -4.28 107.32 102.49 1h7d s GLY 36 Ca -0.13 0.55 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 1h7d s GLY 36 CO 0.80 2.14 0.15 -2.13 0.00 0.00 0.00 173.10 174.07 1h7d n ARG 37 N 5.18 -3.19 -3.80 2.90 0.63 -1.26 -5.01 116.66 112.11 1h7d n ARG 37 Ca 0.10 2.61 -0.31 0.00 -0.92 0.00 0.00 57.85 59.34 1h7d n ARG 37 Cb 0.47 -5.42 -0.04 0.00 0.45 0.00 0.00 32.46 27.91 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1h7d n PRO 39 N 0.13 -0.16 0.00 0.00 -0.04 -1.26 -2.49 135.00 131.18 1h7d n PRO 39 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1h7d n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1h7d n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1h7d n ILE 40 N -1.79 0.00 0.00 0.52 2.08 -1.26 -3.93 119.36 114.99 1h7d n ILE 40 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1h7d n ILE 40 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1h7d n ILE 40 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1h7d n LEU 41 N 0.00 0.74 0.00 1.39 0.00 -1.26 -4.55 117.00 113.32 1h7d n LEU 41 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 56.01 56.30 1h7d n LEU 41 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 43.42 43.07 1h7d n LEU 41 CO 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 177.39 177.04 1h7d n ALA 42 N -1.66 0.00 -2.66 1.96 0.00 -1.04 -3.12 120.51 113.98 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 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 0.00 5.66 -1.26 -4.95 114.28 113.73 1h7d n THR 43 Ca 0.00 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1h7d n THR 43 Cb 0.00 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.71 0.00 0.00 1.09 7.27 -1.18 -5.17 117.38 120.09 1h7d n GLN 44 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1h7d n GLN 44 Cb 0.75 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.40 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 -1.48 0.01 3.82 1.69 0.00 -1.25 -5.01 105.19 102.96 1h7d n GLY 45 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.22 2.99 -0.07 1.61 0.04 -1.26 -5.01 135.00 130.07 1h7d s PRO 46 Ca 0.00 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 61.75 1h7d s PRO 46 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1h7d s PRO 46 CO 0.00 -1.06 0.88 -0.08 0.04 0.00 0.00 177.00 176.77 1h7d s THR 47 N -2.99 4.91 -0.30 1.26 -1.32 -1.26 -5.01 115.64 110.92 1h7d s THR 47 Ca 0.58 1.79 -0.10 0.00 -1.21 0.00 0.00 61.69 62.76 1h7d s THR 47 Cb -0.14 -4.20 0.15 0.00 -1.51 0.00 0.00 72.50 66.79 1h7d s THR 47 CO 0.53 0.13 0.71 0.00 -2.21 0.00 0.00 174.62 173.78