#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4x h LEU 22 N 0.00 -0.67 0.13 -0.35 5.85 -2.05 0.88 115.31 119.10 1s4x h LEU 22 Ca 0.00 0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 1s4x h LEU 22 Cb 0.00 0.26 0.02 0.00 0.37 0.00 0.00 40.66 41.31 1s4x h LEU 22 CO 0.00 -0.19 -0.82 0.25 -0.34 0.00 0.00 178.44 177.34 1s4x h LEU 23 N -0.23 0.49 -1.35 2.25 5.85 -2.03 -0.82 115.31 119.47 1s4x h LEU 23 Ca 0.01 -0.94 0.04 0.00 0.84 0.00 0.00 57.88 57.83 1s4x h LEU 23 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1s4x h LEU 23 CO -0.17 1.39 0.60 0.40 -0.34 0.00 0.00 178.44 180.33 1s4x h ILE 24 N -0.32 0.05 0.00 4.05 1.08 -1.95 0.87 117.51 121.28 1s4x h ILE 24 Ca -0.14 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 63.93 1s4x h ILE 24 Cb 1.63 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 35.74 1s4x h ILE 24 CO 0.15 0.00 -2.49 0.41 -0.69 0.00 0.00 178.15 175.54 1s4x n THR 25 N -2.90 1.49 -0.18 -0.27 -1.04 0.30 -3.56 114.28 108.12 1s4x n THR 25 Ca 0.02 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 1s4x n THR 25 Cb 0.67 -1.51 0.04 0.00 -1.82 0.00 0.00 70.33 67.71 1s4x n THR 25 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1s4x h ILE 26 N -0.20 1.27 0.00 12.58 2.04 0.76 2.25 117.51 136.21 1s4x h ILE 26 Ca -0.60 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1s4x h ILE 26 Cb 1.84 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1s4x h ILE 26 CO -0.16 0.43 0.00 1.57 0.00 0.00 0.00 178.15 179.99 1s4x n HIS 27 N -4.16 0.51 -0.05 1.37 -0.00 0.27 -3.64 115.22 109.52 1s4x n HIS 27 Ca 0.02 0.17 -0.09 0.00 0.46 0.00 0.00 57.72 58.28 1s4x n HIS 27 Cb 0.38 -0.77 -0.04 0.00 -0.12 0.00 0.00 29.99 29.43 1s4x n HIS 27 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1s4x n ASP 28 N -1.94 2.42 0.17 0.26 8.00 -0.73 -4.47 116.55 120.26 1s4x n ASP 28 Ca 0.05 0.01 0.07 0.00 0.71 0.00 0.00 54.79 55.62 1s4x n ASP 28 Cb 0.31 -0.21 0.37 0.00 -0.02 0.00 0.00 41.12 41.57 1s4x n ASP 28 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1s4x h ARG 29 N -0.13 0.00 -0.07 -1.24 0.11 0.36 -0.04 114.38 113.37 1s4x h ARG 29 Ca -0.25 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.86 1s4x h ARG 29 Cb 1.32 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.37 1s4x h ARG 29 CO -0.08 0.00 -0.11 -0.22 0.10 0.00 0.00 179.97 179.66 1s4x h LYS 30 N 0.00 -0.15 -0.21 0.08 3.64 -1.75 2.66 116.57 120.84 1s4x h LYS 30 Ca 0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1s4x h LYS 30 Cb 0.63 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1s4x h LYS 30 CO 0.00 -0.10 -0.15 0.93 -2.27 0.00 0.00 179.45 177.86 1s4x h GLU 31 N -0.16 0.46 -0.01 1.90 5.08 -1.31 -1.21 114.58 119.34 1s4x h GLU 31 Ca 0.07 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1s4x h GLU 31 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1s4x h GLU 31 CO -0.16 0.78 -0.12 0.35 -1.00 0.00 0.00 179.01 178.85 1s4x h PHE 32 N 0.15 -0.31 -0.01 4.33 3.57 -1.30 0.65 116.94 124.02 1s4x h PHE 32 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1s4x h PHE 32 Cb 0.66 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1s4x h PHE 32 CO 0.07 -0.18 0.04 0.00 -2.23 0.00 0.00 178.31 176.01 1s4x h ALA 33 N 0.77 1.24 0.00 2.41 0.00 0.47 -1.79 119.26 122.36 1s4x h ALA 33 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s4x h ALA 33 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s4x h ALA 33 CO -0.13 -0.05 -0.22 -0.22 0.00 0.00 0.00 179.25 178.64 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.79 -3.32 116.57 117.68 1s4x h LYS 34 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s4x h LYS 34 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1s4x h LYS 34 CO -0.00 0.00 0.24 1.19 -2.27 0.00 0.00 179.45 178.61 1s4x n PHE 35 N -4.06 0.14 -0.29 1.91 3.72 0.19 -1.32 117.46 117.74 1s4x n PHE 35 Ca -0.03 0.07 0.04 0.00 -0.05 0.00 0.00 57.45 57.48 1s4x n PHE 35 Cb 0.11 -0.41 0.18 0.00 -0.94 0.00 0.00 39.48 38.43 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1s4x h GLU 36 N 0.00 0.70 -0.38 -1.08 4.11 -1.43 -0.68 114.58 115.82 1s4x h GLU 36 Ca 0.00 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.50 1s4x h GLU 36 Cb 0.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1s4x h GLU 36 CO 0.00 0.46 0.28 1.49 0.07 0.00 0.00 179.01 181.32 1s4x h GLU 37 N 0.72 0.00 0.48 1.06 4.57 -1.44 2.77 114.58 122.74 1s4x h GLU 37 Ca 0.41 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 1s4x h GLU 37 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1s4x h GLU 37 CO -0.28 0.00 -0.23 0.93 -1.18 0.00 0.00 179.01 178.25 1s4x h GLU 38 N 0.00 -0.62 -0.52 1.92 3.07 -1.32 -3.32 114.58 113.78 1s4x h GLU 38 Ca 0.18 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1s4x h GLU 38 Cb 0.74 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1s4x h GLU 38 CO -0.00 -0.33 0.00 2.89 -1.40 0.00 0.00 179.01 180.17 1s4x n ARG 39 N -5.22 3.12 0.00 2.33 1.85 -1.08 -4.81 116.66 112.85 1s4x n ARG 39 Ca -0.09 -2.56 0.00 0.00 -1.00 0.00 0.00 57.85 54.20 1s4x n ARG 39 Cb 0.29 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1s4x n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s4x n ALA 40 N 0.85 0.00 0.61 2.89 0.00 0.93 -1.41 120.51 124.39 1s4x n ALA 40 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1s4x n ALA 40 Cb 0.67 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.17 1s4x n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s4x n ARG 41 N 0.00 0.26 -0.28 0.00 1.74 -1.26 -4.21 116.66 112.90 1s4x n ARG 41 Ca 0.00 0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.11 1s4x n ARG 41 Cb 0.00 -1.59 0.16 0.00 -1.02 0.00 0.00 32.46 30.00 1s4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4x h ALA 42 N 2.59 1.13 0.00 7.54 0.00 -1.51 4.62 119.26 133.63 1s4x h ALA 42 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s4x h ALA 42 Cb 0.71 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s4x h ALA 42 CO 0.00 0.10 -0.03 1.57 0.00 0.00 0.00 179.25 180.90 1s4x h LYS 43 N 0.78 0.00 0.00 0.00 -0.00 -1.86 -3.26 116.57 112.24 1s4x h LYS 43 Ca 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 61.00 1s4x h LYS 43 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.49 1s4x h LYS 43 CO -0.23 0.03 -0.43 -2.67 -0.00 0.00 0.00 179.45 176.14 1s4x n TRP 44 N -3.76 0.00 0.00 0.07 4.27 0.06 -5.00 117.44 113.08 1s4x n TRP 44 Ca -0.03 -0.10 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 1s4x n TRP 44 Cb 0.11 0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 1s4x n TRP 44 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1s4x n ASP 45 N 0.07 0.00 0.00 -0.67 8.00 1.30 -4.93 116.55 120.32 1s4x n ASP 45 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1s4x n ASP 45 Cb 0.71 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1s4x n ASP 45 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1s4x n THR 46 N -1.80 0.00 -0.09 -3.53 5.66 0.98 -4.18 114.28 111.32 1s4x n THR 46 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1s4x n THR 46 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1s4x n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s4x n ALA 47 N 0.00 1.67 0.00 1.79 0.00 -1.26 -4.70 120.51 118.01 1s4x n ALA 47 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1s4x n ALA 47 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1s4x n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s4x n ASN 48 N -3.18 0.00 -4.51 0.00 6.94 -1.26 -3.91 115.26 109.34 1s4x n ASN 48 Ca -0.31 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 53.97 1s4x n ASN 48 Cb 0.81 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 38.12 1s4x n ASN 48 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1s4x s ASN 49 N -2.37 3.93 0.23 0.53 0.02 -1.26 -4.96 114.94 111.05 1s4x s ASN 49 Ca 0.00 -0.67 0.07 0.00 -1.02 0.00 0.00 52.86 51.24 1s4x s ASN 49 Cb 0.00 -0.54 0.36 0.00 0.02 0.00 0.00 41.25 41.09 1s4x s ASN 49 CO 0.00 0.12 1.02 -2.65 0.02 0.00 0.00 177.10 175.61 1s4x n PRO 50 N 0.23 0.05 -0.33 -0.60 -0.01 -1.25 -0.93 135.00 132.16 1s4x n PRO 50 Ca -0.12 0.44 0.04 0.00 -0.01 0.00 0.00 63.50 63.85 1s4x n PRO 50 Cb 0.55 -2.04 0.12 0.00 -0.01 0.00 0.00 33.50 32.12 1s4x n PRO 50 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 1s4x h LEU 51 N 0.00 -0.91 -1.33 2.45 7.12 -1.93 2.89 115.31 123.60 1s4x h LEU 51 Ca 0.00 0.28 0.20 0.00 0.13 0.00 0.00 57.88 58.49 1s4x h LEU 51 Cb 0.76 0.59 -0.08 0.00 -0.53 0.00 0.00 40.66 41.40 1s4x h LEU 51 CO 0.00 -0.30 0.61 0.10 -0.13 0.00 0.00 178.44 178.72 1s4x h TYR 52 N -0.00 0.73 0.00 1.25 -0.00 -1.24 2.83 116.97 120.53 1s4x h TYR 52 Ca 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 59.16 1s4x h TYR 52 Cb 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 1s4x h TYR 52 CO -0.73 0.17 -0.41 -0.22 -0.00 0.00 0.00 178.16 176.98 1s4x h LYS 53 N 0.53 0.00 0.00 0.10 3.11 0.46 -3.21 116.57 117.56 1s4x h LYS 53 Ca 0.52 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 58.14 1s4x h LYS 53 Cb 1.11 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.31 1s4x h LYS 53 CO -0.25 0.09 -1.13 0.93 -2.81 0.00 0.00 179.45 176.27 1s4x h GLU 54 N 0.00 0.00 -0.80 1.90 5.08 1.04 -3.02 114.58 118.78 1s4x h GLU 54 Ca -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1s4x h GLU 54 Cb 1.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1s4x h GLU 54 CO 0.01 0.80 0.52 0.00 -1.00 0.00 0.00 179.01 179.34 1s4x h ALA 55 N 1.07 1.83 0.04 3.43 0.00 0.27 0.31 119.26 126.21 1s4x h ALA 55 Ca -0.08 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1s4x h ALA 55 Cb 1.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1s4x h ALA 55 CO 0.11 -0.01 -1.02 1.79 0.00 0.00 0.00 179.25 180.12 1s4x h THR 56 N 0.67 1.53 0.00 0.00 1.35 -1.67 -2.82 112.91 111.98 1s4x h THR 56 Ca 0.38 -2.90 -0.01 0.00 -0.55 0.00 0.00 66.41 63.32 1s4x h THR 56 Cb 0.54 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1s4x h THR 56 CO -0.15 0.84 -0.04 -1.28 -0.25 0.00 0.00 175.52 174.65 1s4x h SER 57 N 0.09 0.00 0.00 5.36 0.87 -0.42 -1.20 113.55 118.25 1s4x h SER 57 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1s4x h SER 57 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1s4x h SER 57 CO 0.16 0.04 0.30 0.74 -0.53 0.00 0.00 176.83 177.54 1s4x h THR 58 N 0.00 0.00 0.03 2.23 2.02 -0.32 2.39 112.91 119.27 1s4x h THR 58 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1s4x h THR 58 Cb 0.25 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1s4x h THR 58 CO 0.01 0.00 -0.67 0.15 0.37 0.00 0.00 175.52 175.38 1s4x h PHE 59 N 0.00 0.12 0.00 3.16 3.57 -1.41 -3.35 116.94 119.03 1s4x h PHE 59 Ca 0.00 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 1s4x h PHE 59 Cb 0.60 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1s4x h PHE 59 CO 0.00 1.26 -0.37 1.15 -2.23 0.00 0.00 178.31 178.12 1s4x h THR 60 N -0.83 0.41 0.00 4.41 2.02 -0.61 -3.17 112.91 115.14 1s4x h THR 60 Ca -0.16 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1s4x h THR 60 Cb 1.27 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1s4x h THR 60 CO -0.04 0.23 0.01 -3.20 0.37 0.00 0.00 175.52 172.89 1s4x n ASN 61 N -3.11 0.00 -0.01 4.18 5.15 0.77 0.28 115.26 122.52 1s4x n ASN 61 Ca 0.02 0.46 0.09 0.00 -0.60 0.00 0.00 54.58 54.55 1s4x n ASN 61 Cb 0.64 -0.46 -0.14 0.00 -0.53 0.00 0.00 39.78 39.29 1s4x n ASN 61 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1s4x n ILE 62 N -1.46 0.00 0.27 -1.44 5.41 -1.20 -4.26 119.36 116.68 1s4x n ILE 62 Ca 0.00 -0.38 0.07 0.00 1.00 0.00 0.00 62.75 63.44 1s4x n ILE 62 Cb 0.01 0.20 -0.10 0.00 -0.71 0.00 0.00 39.64 39.04 1s4x n ILE 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s4x n THR 63 N -2.05 0.00 0.00 1.39 -1.04 0.15 -4.41 114.28 108.32 1s4x n THR 63 Ca -0.02 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1s4x n THR 63 Cb 0.46 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.50 1s4x n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s4x n TYR 64 N -1.70 0.00 0.38 -1.42 4.11 0.79 -1.13 117.16 118.19 1s4x n TYR 64 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.93 1s4x n TYR 64 Cb 0.30 -0.25 0.19 0.00 -0.00 0.00 0.00 39.34 39.58 1s4x n TYR 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1s4x n ARG 65 N -1.23 0.18 -0.67 -3.48 5.12 -1.26 -4.73 116.66 110.58 1s4x n ARG 65 Ca 0.00 0.05 -0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1s4x n ARG 65 Cb 0.22 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s4x n GLY 66 N -0.63 0.24 0.00 -0.13 0.00 -0.29 -5.23 105.19 99.15 1s4x n GLY 66 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s4x n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95