#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 4.35 -0.30 2.03 0.11 -1.26 -5.09 120.40 120.24 1h7d s VAL 2 Ca 0.00 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1h7d s VAL 2 Cb 0.00 -3.07 0.19 0.00 -1.53 0.00 0.00 36.38 31.97 1h7d s VAL 2 CO 0.00 0.15 0.58 0.00 -3.33 0.00 0.00 175.10 172.50 1h7d s ALA 3 N -1.33 -2.28 -0.60 1.54 0.00 -1.26 -5.07 121.76 112.76 1h7d s ALA 3 Ca 0.27 0.91 0.06 0.00 0.00 0.00 0.00 51.96 53.20 1h7d s ALA 3 Cb -0.12 -2.51 0.24 0.00 0.00 0.00 0.00 23.12 20.73 1h7d s ALA 3 CO 0.20 -1.86 0.68 0.00 0.00 0.00 0.00 175.76 174.78 1h7d n ALA 4 N 5.33 3.72 0.01 0.00 0.00 -1.26 -4.80 120.51 123.50 1h7d n ALA 4 Ca 0.05 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.01 1h7d n ALA 4 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.06 0.36 -4.15 0.00 0.00 -1.26 -5.05 120.51 111.46 1h7d n ALA 5 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 1h7d n ALA 5 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.53 -0.61 0.00 0.00 0.00 -1.26 -4.88 117.12 107.84 1h7d n MET 6 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1h7d n MET 6 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 33.22 30.36 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 -4.62 0.29 -3.57 -0.89 7.99 -1.26 -4.92 117.00 110.03 1h7d n LEU 7 Ca -0.22 0.40 -0.32 0.00 -0.01 0.00 0.00 56.01 55.86 1h7d n LEU 7 Cb 0.60 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.93 1h7d n LEU 7 CO 0.76 0.00 -0.24 0.18 -1.51 0.00 0.00 177.39 176.58 1h7d n LEU 8 N -0.45 -2.65 0.00 2.23 4.77 -1.26 -4.77 117.00 114.87 1h7d n LEU 8 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1h7d n LEU 8 Cb 0.00 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1h7d n LEU 8 CO 0.00 -0.01 0.00 -2.11 -1.33 0.00 0.00 177.39 173.94 1h7d n ARG 9 N -1.04 0.00 -3.22 3.23 1.85 -1.26 -5.03 116.66 111.19 1h7d n ARG 9 Ca -0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.54 1h7d n ARG 9 Cb 0.68 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.16 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 -1.21 -2.91 0.03 2.89 2.88 -1.26 -4.95 113.62 109.08 1h7d n SER 10 Ca 0.00 -0.49 -0.11 0.00 -1.33 0.00 0.00 58.87 56.95 1h7d n SER 10 Cb 0.00 -4.25 -0.08 0.00 -0.75 0.00 0.00 64.21 59.13 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n PRO 12 N -4.87 2.32 0.02 0.00 -0.04 -1.26 -4.39 135.00 126.78 1h7d n PRO 12 Ca -0.07 -2.09 -0.01 0.00 -0.04 0.00 0.00 63.50 61.29 1h7d n PRO 12 Cb 0.27 -2.96 -0.09 0.00 -0.04 0.00 0.00 33.50 30.68 1h7d n PRO 12 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1h7d n VAL 13 N 5.13 1.22 -2.75 0.52 3.14 -1.26 -5.01 118.33 119.33 1h7d n VAL 13 Ca 0.53 -0.70 -0.09 0.00 -2.96 0.00 0.00 64.34 61.12 1h7d n VAL 13 Cb 0.34 -0.76 0.04 0.00 -1.06 0.00 0.00 33.84 32.40 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 -2.89 -4.87 -3.85 6.55 4.32 -1.26 -4.93 117.00 110.07 1h7d n LEU 14 Ca -0.11 -0.42 -0.42 0.00 -0.02 0.00 0.00 56.01 55.04 1h7d n LEU 14 Cb 0.86 -2.54 0.01 0.00 -1.62 0.00 0.00 43.42 40.14 1h7d n LEU 14 CO 0.43 -0.13 1.39 -0.24 -1.22 0.00 0.00 177.39 177.62 1h7d n SER 15 N -2.50 6.69 -2.53 -1.43 2.88 -1.26 -4.68 113.62 110.79 1h7d n SER 15 Ca -0.04 -3.45 -0.05 0.00 -1.33 0.00 0.00 58.87 54.00 1h7d n SER 15 Cb 0.57 -1.27 0.02 0.00 -0.75 0.00 0.00 64.21 62.78 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 1.17 -1.11 -0.05 -1.46 6.02 -1.26 -5.01 117.38 115.69 1h7d n GLN 16 Ca 0.36 0.83 -0.01 0.00 -0.01 0.00 0.00 57.00 58.17 1h7d n GLN 16 Cb 0.31 -4.17 -0.00 0.00 1.02 0.00 0.00 30.24 27.39 1h7d n GLN 16 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1h7d h GLY 17 N -0.19 0.00 -0.58 1.08 0.00 -2.00 -3.48 103.07 97.91 1h7d h GLY 17 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.87 1h7d h GLY 17 CO 0.23 0.00 0.18 -1.55 0.00 0.00 0.00 176.54 175.40 1h7d n PRO 18 N -4.28 -1.63 0.00 4.80 -0.04 -1.26 -5.03 135.00 127.57 1h7d n PRO 18 Ca -0.02 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1h7d n PRO 18 Cb 0.07 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1h7d n PRO 18 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1h7d n THR 19 N -3.63 0.00 -1.07 0.52 5.66 -1.26 -4.94 114.28 109.57 1h7d n THR 19 Ca 0.10 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.94 1h7d n THR 19 Cb 0.38 -0.06 -0.15 0.00 -1.55 0.00 0.00 70.33 68.95 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h7d n GLY 20 N -0.71 3.23 0.22 1.09 0.00 -1.26 -3.03 105.19 104.73 1h7d n GLY 20 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.75 1h7d n GLY 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1h7d n LEU 21 N 2.56 0.30 0.00 0.99 -0.00 -1.26 -4.84 117.00 114.74 1h7d n LEU 21 Ca 0.48 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 1h7d n LEU 21 Cb 0.81 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 1h7d n LEU 21 CO 0.22 0.19 0.00 0.00 -0.00 0.00 0.00 177.39 177.81 1h7d n LEU 22 N -0.13 0.00 0.08 1.47 -0.00 -1.22 -4.93 117.00 112.27 1h7d n LEU 22 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.15 1h7d n LEU 22 Cb 0.58 0.09 0.61 0.00 -0.00 0.00 0.00 43.42 44.70 1h7d n LEU 22 CO 0.00 -0.09 1.14 1.23 -0.00 0.00 0.00 177.39 179.67 1h7d h GLY 23 N 0.00 0.16 1.04 1.47 0.00 -1.88 0.40 103.07 104.25 1h7d h GLY 23 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1h7d h GLY 23 CO 0.00 0.04 -0.40 0.50 0.00 0.00 0.00 176.54 176.68 1h7d h LYS 24 N 0.12 0.78 0.00 4.80 6.56 -1.89 0.16 116.57 127.10 1h7d h LYS 24 Ca 0.15 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1h7d h LYS 24 Cb 0.45 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1h7d h LYS 24 CO -0.02 1.08 0.00 0.28 -2.06 0.00 0.00 179.45 178.73 1h7d h VAL 25 N 0.53 0.00 0.00 0.50 2.07 -1.45 -2.70 116.25 115.20 1h7d h VAL 25 Ca 0.03 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1h7d h VAL 25 Cb 0.99 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1h7d h VAL 25 CO 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.62 1h7d h ALA 26 N 2.08 0.01 -0.16 1.67 0.00 0.05 -3.15 119.26 119.77 1h7d h ALA 26 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1h7d h ALA 26 Cb 0.72 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1h7d h ALA 26 CO 0.00 0.05 -0.50 -0.22 0.00 0.00 0.00 179.25 178.57 1h7d h LYS 27 N -1.00 -0.52 -0.82 0.00 1.63 -0.74 0.70 116.57 115.82 1h7d h LYS 27 Ca -0.01 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1h7d h LYS 27 Cb 0.32 0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 31.96 1h7d h LYS 27 CO -0.01 -0.35 -0.58 1.15 -3.45 0.00 0.00 179.45 176.22 1h7d h THR 28 N -0.54 0.00 -0.99 1.00 2.02 -1.65 1.01 112.91 113.76 1h7d h THR 28 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1h7d h THR 28 Cb 0.66 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1h7d h THR 28 CO -0.44 0.00 0.65 1.88 0.37 0.00 0.00 175.52 177.97 1h7d h TYR 29 N -0.12 1.20 0.00 3.16 -1.99 -1.31 0.43 116.97 118.35 1h7d h TYR 29 Ca 0.14 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1h7d h TYR 29 Cb 0.47 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1h7d h TYR 29 CO -0.94 0.67 0.00 0.94 -0.00 0.00 0.00 178.16 178.83 1h7d n GLN 30 N -4.46 0.52 -0.03 4.88 7.27 0.24 -2.59 117.38 123.20 1h7d n GLN 30 Ca 0.14 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1h7d n GLN 30 Cb 0.13 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.20 1h7d n GLN 30 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1h7d n PHE 31 N -1.15 0.00 -1.08 3.69 3.72 0.30 -4.45 117.46 118.49 1h7d n PHE 31 Ca 0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1h7d n PHE 31 Cb 0.13 -0.38 0.29 0.00 -0.94 0.00 0.00 39.48 38.58 1h7d n PHE 31 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1h7d n LEU 32 N -2.14 5.98 -0.09 4.37 4.77 0.11 -3.87 117.00 126.14 1h7d n LEU 32 Ca -0.10 -3.28 -0.18 0.00 -0.03 0.00 0.00 56.01 52.42 1h7d n LEU 32 Cb 0.57 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1h7d n LEU 32 CO 0.22 0.85 -1.06 0.33 -1.33 0.00 0.00 177.39 176.40 1h7d n PHE 33 N -0.31 0.00 -0.05 -1.77 -0.00 -1.07 -4.84 117.46 109.43 1h7d n PHE 33 Ca 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.85 1h7d n PHE 33 Cb 1.38 -0.64 -0.01 0.00 -0.00 0.00 0.00 39.48 40.22 1h7d n PHE 33 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1h7d h SER 34 N -0.68 0.00 -6.08 -2.13 0.87 -1.82 -3.50 113.55 100.22 1h7d h SER 34 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1h7d h SER 34 Cb 1.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1h7d h SER 34 CO -0.25 0.51 -0.78 2.30 -0.53 0.00 0.00 176.83 178.07 1h7d n ILE 35 N -4.27 -3.71 -0.70 2.23 -5.35 -1.25 -4.86 119.36 101.45 1h7d n ILE 35 Ca -0.03 0.69 -0.33 0.00 -0.27 0.00 0.00 62.75 62.82 1h7d n ILE 35 Cb 0.09 -3.60 0.16 0.00 -1.74 0.00 0.00 39.64 34.56 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 1.56 -2.51 2.93 3.28 0.00 -1.26 -4.39 105.19 104.80 1h7d n GLY 36 Ca -0.03 -0.75 -0.04 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 -1.76 -2.33 -3.14 1.61 1.74 -1.26 -5.03 116.66 106.48 1h7d n ARG 37 Ca 0.01 2.04 0.03 0.00 -0.77 0.00 0.00 57.85 59.15 1h7d n ARG 37 Cb 0.62 -3.91 -0.00 0.00 -1.02 0.00 0.00 32.46 28.15 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 2.34 3.38 0.00 0.00 0.04 -1.26 -4.94 135.00 134.56 1h7d s PRO 39 Ca 0.14 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1h7d s PRO 39 Cb -0.06 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1h7d s PRO 39 CO -0.17 -1.82 0.16 -0.89 0.04 0.00 0.00 177.00 174.32 1h7d n ILE 40 N 7.01 0.00 -2.19 0.56 -0.00 -1.26 -3.74 119.36 119.74 1h7d n ILE 40 Ca 0.15 0.66 -0.39 0.00 -0.00 0.00 0.00 62.75 63.17 1h7d n ILE 40 Cb 0.49 -1.56 0.00 0.00 -0.00 0.00 0.00 39.64 38.57 1h7d n ILE 40 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1h7d n LEU 41 N -0.19 7.54 0.00 1.39 -0.00 -1.26 -4.85 117.00 119.64 1h7d n LEU 41 Ca 0.00 -4.99 0.00 0.00 -0.00 0.00 0.00 56.01 51.02 1h7d n LEU 41 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.18 1h7d n LEU 41 CO 0.00 1.99 0.00 0.00 -0.00 0.00 0.00 177.39 179.38 1h7d n ALA 42 N 0.65 0.00 0.00 1.96 0.00 -1.25 -2.73 120.51 119.14 1h7d n ALA 42 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1h7d n ALA 42 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.73 114.28 106.04 1h7d n THR 43 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h7d n THR 43 Cb 0.00 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1h7d n GLN 44 N -2.84 0.00 0.00 -0.78 7.27 -1.11 -4.81 117.38 115.11 1h7d n GLN 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1h7d n GLN 44 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 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 -0.98 0.70 3.42 1.69 0.00 -1.25 -4.48 105.19 104.30 1h7d n GLY 45 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 2.35 -3.08 1.61 -0.04 -1.26 -4.46 135.00 130.12 1h7d n PRO 46 Ca 0.00 -2.71 -0.11 0.00 -0.04 0.00 0.00 63.50 60.63 1h7d n PRO 46 Cb 0.00 -3.49 0.01 0.00 -0.04 0.00 0.00 33.50 29.99 1h7d n PRO 46 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1h7d n THR 47 N 6.72 -6.92 -2.09 0.52 -1.04 -1.26 -4.61 114.28 105.60 1h7d n THR 47 Ca 0.48 0.82 0.00 0.00 -2.04 0.00 0.00 64.05 63.31 1h7d n THR 47 Cb 0.45 -5.03 0.00 0.00 -1.82 0.00 0.00 70.33 63.93 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43