#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 1.23 0.00 3.17 0.11 -1.26 -5.04 120.40 118.61 1h7d s VAL 2 Ca 0.00 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1h7d s VAL 2 Cb 0.00 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1h7d s VAL 2 CO 0.00 -0.17 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 1h7d n ALA 3 N 1.30 -2.90 -2.84 1.54 0.00 -1.26 -5.05 120.51 111.31 1h7d n ALA 3 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1h7d n ALA 3 Cb 0.54 -0.48 0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 -0.26 0.35 0.00 0.00 -1.26 -5.01 120.51 114.34 1h7d n ALA 4 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 53.44 51.38 1h7d n ALA 4 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 3.21 -1.20 -5.58 0.00 0.00 -2.06 -3.47 119.26 110.16 1h7d h ALA 5 Ca -0.07 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 1h7d h ALA 5 Cb 1.06 0.64 0.18 0.00 0.00 0.00 0.00 17.79 19.66 1h7d h ALA 5 CO 0.24 -1.19 -0.83 -0.12 0.00 0.00 0.00 179.25 177.35 1h7d n MET 6 N -5.34 -3.77 -1.34 0.00 0.00 -1.26 -4.88 117.12 100.53 1h7d n MET 6 Ca -0.13 0.83 -0.25 0.00 -0.00 0.00 0.00 57.70 58.15 1h7d n MET 6 Cb 0.45 -5.74 -0.02 0.00 0.00 0.00 0.00 33.22 27.92 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 -3.62 6.62 -2.60 -0.89 4.77 -1.26 -4.73 117.00 115.29 1h7d n LEU 7 Ca -0.15 -3.91 -0.25 0.00 -0.03 0.00 0.00 56.01 51.67 1h7d n LEU 7 Cb 0.64 -1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1h7d n LEU 7 CO 0.60 1.58 2.38 -0.11 -1.33 0.00 0.00 177.39 180.52 1h7d n LEU 8 N 0.53 6.83 -2.52 2.23 7.94 -1.26 -3.55 117.00 127.20 1h7d n LEU 8 Ca 0.45 -3.75 -0.03 0.00 -1.11 0.00 0.00 56.01 51.56 1h7d n LEU 8 Cb 0.55 -1.47 -0.00 0.00 0.53 0.00 0.00 43.42 43.02 1h7d n LEU 8 CO 0.38 1.87 0.58 -2.11 -1.11 0.00 0.00 177.39 177.00 1h7d n ARG 9 N 2.86 0.25 0.14 1.96 1.85 -1.26 -5.02 116.66 117.44 1h7d n ARG 9 Ca 0.59 -0.69 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1h7d n ARG 9 Cb 0.60 0.01 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 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 -0.49 -2.51 -4.79 2.89 7.64 -1.23 -5.13 113.62 110.00 1h7d n SER 10 Ca -0.23 0.68 -0.34 0.00 1.01 0.00 0.00 58.87 59.99 1h7d n SER 10 Cb 0.65 2.51 -0.01 0.00 -1.01 0.00 0.00 64.21 66.34 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h7d s PRO 12 N -3.31 3.40 -0.05 0.00 0.04 -1.26 -4.99 135.00 128.82 1h7d s PRO 12 Ca 0.70 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1h7d s PRO 12 Cb -0.20 -2.05 -0.23 0.00 0.04 0.00 0.00 34.50 32.07 1h7d s PRO 12 CO 0.24 -0.74 1.06 0.28 0.04 0.00 0.00 177.00 177.88 1h7d h VAL 13 N 0.49 1.54 0.00 -0.36 2.07 -2.03 -3.45 116.25 114.51 1h7d h VAL 13 Ca -0.47 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1h7d h VAL 13 Cb 1.22 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1h7d h VAL 13 CO 0.58 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.83 1h7d n LEU 14 N -4.61 0.00 -0.84 2.57 4.32 -1.26 -5.04 117.00 112.14 1h7d n LEU 14 Ca -0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.84 1h7d n LEU 14 Cb 0.43 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1h7d n LEU 14 CO 0.37 -0.44 -0.05 -1.54 -1.22 0.00 0.00 177.39 174.52 1h7d n SER 15 N -2.37 -2.61 -1.20 -1.43 3.41 -1.26 -4.92 113.62 103.24 1h7d n SER 15 Ca 0.00 -0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.65 1h7d n SER 15 Cb 0.00 -1.79 0.29 0.00 -0.26 0.00 0.00 64.21 62.45 1h7d n SER 15 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1h7d n GLN 16 N -1.63 3.49 -0.01 4.33 7.27 -1.26 -4.62 117.38 124.95 1h7d n GLN 16 Ca -0.06 -2.80 -0.01 0.00 0.07 0.00 0.00 57.00 54.20 1h7d n GLN 16 Cb 0.55 -1.86 -0.00 0.00 2.41 0.00 0.00 30.24 31.34 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h7d n GLY 17 N 0.20 -0.61 3.76 1.69 0.00 -1.26 -4.86 105.19 104.11 1h7d n GLY 17 Ca 0.22 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.26 -0.54 0.00 1.61 0.04 -1.26 -3.62 135.00 129.96 1h7d s PRO 18 Ca -0.03 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1h7d s PRO 18 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1h7d s PRO 18 CO 0.05 -3.21 0.00 2.41 0.04 0.00 0.00 177.00 176.29 1h7d n THR 19 N -4.35 0.00 -0.03 1.26 -1.04 -1.26 -4.39 114.28 104.48 1h7d n THR 19 Ca 0.16 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.01 1h7d n THR 19 Cb 0.59 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.02 1h7d n THR 19 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1h7d h GLY 20 N 0.00 0.51 -3.38 3.41 0.00 -1.90 -3.49 103.07 98.22 1h7d h GLY 20 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1h7d h GLY 20 CO 0.00 0.64 -0.20 -0.10 0.00 0.00 0.00 176.54 176.88 1h7d n LEU 21 N -4.29 -3.04 0.17 3.11 7.94 -1.24 -5.06 117.00 114.59 1h7d n LEU 21 Ca -0.08 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1h7d n LEU 21 Cb 0.57 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1h7d n LEU 21 CO 0.45 -0.61 0.00 -0.11 -1.11 0.00 0.00 177.39 176.01 1h7d n LEU 22 N 0.15 -1.63 0.29 -1.96 7.94 -1.26 -4.83 117.00 115.70 1h7d n LEU 22 Ca -0.01 0.63 0.18 0.00 -1.11 0.00 0.00 56.01 55.70 1h7d n LEU 22 Cb 0.02 1.67 0.98 0.00 0.53 0.00 0.00 43.42 46.61 1h7d n LEU 22 CO 0.08 -0.39 1.16 1.23 -1.11 0.00 0.00 177.39 178.35 1h7d h GLY 23 N 0.00 0.00 1.11 -3.96 0.00 -1.96 0.11 103.07 98.37 1h7d h GLY 23 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1h7d h GLY 23 CO 0.00 0.00 -0.71 1.70 0.00 0.00 0.00 176.54 177.53 1h7d h LYS 24 N 0.00 0.75 0.00 4.80 1.63 -1.91 -1.32 116.57 120.51 1h7d h LYS 24 Ca 0.03 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 1h7d h LYS 24 Cb 0.29 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1h7d h LYS 24 CO -0.00 1.21 0.00 0.28 -3.45 0.00 0.00 179.45 177.49 1h7d h VAL 25 N 0.46 0.00 0.16 2.00 2.07 -1.22 -3.15 116.25 116.58 1h7d h VAL 25 Ca -0.05 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1h7d h VAL 25 Cb 1.34 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1h7d h VAL 25 CO 0.15 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1h7d h ALA 26 N 2.18 -0.22 -0.74 1.67 0.00 -0.75 -3.07 119.26 118.32 1h7d h ALA 26 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1h7d h ALA 26 Cb 0.80 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1h7d h ALA 26 CO 0.00 -0.21 -0.41 0.87 0.00 0.00 0.00 179.25 179.50 1h7d h LYS 27 N -1.05 -0.12 -0.58 0.00 1.79 -1.32 1.29 116.57 116.58 1h7d h LYS 27 Ca -0.02 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1h7d h LYS 27 Cb 0.20 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.77 1h7d h LYS 27 CO 0.04 -0.08 -0.44 1.15 -1.08 0.00 0.00 179.45 179.04 1h7d h THR 28 N -0.12 0.08 -0.76 -0.16 2.02 -1.67 0.24 112.91 112.54 1h7d h THR 28 Ca 0.24 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.36 1h7d h THR 28 Cb 0.56 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1h7d h THR 28 CO -0.80 0.00 0.25 0.22 0.37 0.00 0.00 175.52 175.56 1h7d h TYR 29 N -0.23 1.21 0.00 3.16 3.20 -0.67 0.83 116.97 124.47 1h7d h TYR 29 Ca 0.18 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1h7d h TYR 29 Cb 0.56 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1h7d h TYR 29 CO -0.71 0.94 0.00 0.94 -1.64 0.00 0.00 178.16 177.69 1h7d n GLN 30 N -4.26 0.12 -0.08 1.82 -0.06 0.42 -0.92 117.38 114.43 1h7d n GLN 30 Ca 0.06 0.57 -0.12 0.00 -2.00 0.00 0.00 57.00 55.51 1h7d n GLN 30 Cb 0.22 -1.86 -0.07 0.00 -4.06 0.00 0.00 30.24 24.48 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 -0.24 3.69 -0.00 0.57 -4.44 117.46 114.92 1h7d n PHE 31 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1h7d n PHE 31 Cb 0.06 -0.57 0.08 0.00 -0.00 0.00 0.00 39.48 39.06 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 -0.13 0.68 -0.74 -2.13 3.38 0.96 -0.67 115.31 116.66 1h7d h LEU 32 Ca -0.35 0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.76 1h7d h LEU 32 Cb 1.47 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 42.00 1h7d h LEU 32 CO -0.10 0.46 0.31 0.15 0.09 0.00 0.00 178.44 179.35 1h7d h PHE 33 N 0.81 0.53 0.40 1.13 3.57 -1.26 -1.87 116.94 120.25 1h7d h PHE 33 Ca 0.29 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1h7d h PHE 33 Cb 0.06 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1h7d h PHE 33 CO -0.05 0.09 -0.19 0.77 -2.23 0.00 0.00 178.31 176.70 1h7d h SER 34 N 0.47 -0.45 0.00 0.41 0.02 -1.54 -3.38 113.55 109.07 1h7d h SER 34 Ca 0.40 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1h7d h SER 34 Cb 0.57 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1h7d h SER 34 CO -0.37 -0.07 0.00 -0.38 -1.14 0.00 0.00 176.83 174.86 1h7d n ILE 35 N -5.18 0.00 0.00 3.27 5.41 -0.34 -4.74 119.36 117.77 1h7d n ILE 35 Ca -0.10 0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1h7d n ILE 35 Cb 0.29 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 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 0.00 1.89 2.70 7.39 0.00 -0.75 -4.09 105.19 112.33 1h7d n GLY 36 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1h7d n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h7d s ARG 37 N 0.00 0.90 0.13 1.61 0.52 -1.26 -5.13 118.95 115.72 1h7d s ARG 37 Ca 0.00 -1.24 0.10 0.00 -0.52 0.00 0.00 55.73 54.07 1h7d s ARG 37 Cb 0.00 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1h7d s ARG 37 CO 0.00 -1.30 -0.21 0.00 0.02 0.00 0.00 175.30 173.80 1h7d h PRO 39 N 3.70 -0.14 -6.14 0.00 0.13 -1.98 -3.45 132.00 124.12 1h7d h PRO 39 Ca -0.50 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 1h7d h PRO 39 Cb 1.17 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1h7d h PRO 39 CO 0.44 -0.10 -0.49 -0.89 -0.23 0.00 0.00 178.00 176.73 1h7d n ILE 40 N -3.32 -0.05 -3.07 -3.56 2.08 -1.26 -0.04 119.36 110.13 1h7d n ILE 40 Ca -0.02 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.24 1h7d n ILE 40 Cb 0.06 -0.35 0.02 0.00 -0.75 0.00 0.00 39.64 38.62 1h7d n ILE 40 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1h7d n LEU 41 N -3.35 -6.29 -2.68 1.39 4.32 -1.26 -5.00 117.00 104.12 1h7d n LEU 41 Ca 0.06 -0.27 -0.04 0.00 -0.02 0.00 0.00 56.01 55.74 1h7d n LEU 41 Cb 0.48 -3.21 0.04 0.00 -1.62 0.00 0.00 43.42 39.11 1h7d n LEU 41 CO 0.52 -0.70 0.46 0.00 -1.22 0.00 0.00 177.39 176.45 1h7d n ALA 42 N -2.22 -3.43 0.08 -1.18 0.00 0.94 -5.04 120.51 109.66 1h7d n ALA 42 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1h7d n ALA 42 Cb 0.54 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1h7d n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1h7d n THR 43 N 2.33 0.08 -2.73 0.00 -2.24 -1.26 -4.76 114.28 105.70 1h7d n THR 43 Ca 0.10 0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1h7d n THR 43 Cb 0.65 -0.61 0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1h7d n THR 43 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h7d s GLN 44 N -2.00 0.27 0.23 -0.78 2.00 -1.26 -5.17 119.66 112.95 1h7d s GLN 44 Ca 0.00 -0.21 -0.04 0.00 -2.00 0.00 0.00 55.36 53.11 1h7d s GLN 44 Cb 0.00 0.00 -0.03 0.00 0.80 0.00 0.00 33.01 33.79 1h7d s GLN 44 CO 0.00 -0.36 0.26 0.20 -0.50 0.00 0.00 175.29 174.89 1h7d s GLY 45 N 1.34 1.24 0.78 2.59 0.00 -1.26 -5.17 107.32 106.85 1h7d s GLY 45 Ca 0.21 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 1h7d s GLY 45 CO -0.12 -1.16 1.09 2.56 0.00 0.00 0.00 173.10 175.47 1h7d s PRO 46 N -4.01 2.23 -0.23 2.90 0.04 -1.26 -5.03 135.00 129.64 1h7d s PRO 46 Ca 0.34 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 1h7d s PRO 46 Cb 0.04 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1h7d s PRO 46 CO 0.13 -1.53 0.22 -0.08 0.04 0.00 0.00 177.00 175.78 1h7d s THR 47 N -3.14 5.32 0.54 1.26 -1.32 -1.26 -4.92 115.64 112.12 1h7d s THR 47 Ca 0.60 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 1h7d s THR 47 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1h7d s THR 47 CO 0.54 0.32 0.00 0.00 -2.21 0.00 0.00 174.62 173.27