#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 -1.41 0.05 -0.35 5.85 -2.05 1.10 115.31 118.50 1s4x h LEU 22 Ca 0.00 0.20 -0.29 0.00 0.84 0.00 0.00 57.88 58.63 1s4x h LEU 22 Cb 0.00 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1s4x h LEU 22 CO 0.00 -0.24 -1.55 0.25 -0.34 0.00 0.00 178.44 176.56 1s4x h LEU 23 N -0.17 0.17 -1.32 2.25 6.46 -2.03 -1.00 115.31 119.66 1s4x h LEU 23 Ca 0.08 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1s4x h LEU 23 Cb 0.37 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1s4x h LEU 23 CO -0.52 1.23 0.00 -0.38 -0.62 0.00 0.00 178.44 178.15 1s4x n ILE 24 N -3.27 1.02 -0.14 4.05 5.41 -1.04 -0.67 119.36 124.72 1s4x n ILE 24 Ca -0.15 0.66 -0.27 0.00 1.00 0.00 0.00 62.75 63.99 1s4x n ILE 24 Cb 1.03 -1.65 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 1s4x n ILE 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s4x n THR 25 N -2.25 1.49 0.16 1.39 -1.04 0.38 -4.28 114.28 110.13 1s4x n THR 25 Ca -0.01 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 1s4x n THR 25 Cb 0.06 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.81 0.75 0.00 12.58 2.04 -0.69 2.61 117.51 134.00 1s4x h ILE 26 Ca -0.67 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1s4x h ILE 26 Cb 1.66 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1s4x h ILE 26 CO -0.36 0.06 0.24 1.57 0.00 0.00 0.00 178.15 179.66 1s4x n HIS 27 N -5.19 0.22 0.00 1.37 -0.00 0.15 -0.56 115.22 111.20 1s4x n HIS 27 Ca -0.10 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1s4x n HIS 27 Cb 0.22 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.60 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 -1.67 4.95 -0.16 0.26 9.92 -0.62 -4.63 116.55 124.61 1s4x n ASP 28 Ca -0.00 0.00 0.26 0.00 -0.53 0.00 0.00 54.79 54.52 1s4x n ASP 28 Cb 0.25 0.65 0.69 0.00 -0.64 0.00 0.00 41.12 42.07 1s4x n ASP 28 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1s4x h ARG 29 N 0.00 0.05 -0.68 -1.24 9.65 0.71 -1.91 114.38 120.96 1s4x h ARG 29 Ca 0.00 -0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.01 1s4x h ARG 29 Cb 0.69 -0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 29.13 1s4x h ARG 29 CO 0.00 0.03 -0.22 -0.22 2.80 0.00 0.00 179.97 182.36 1s4x h LYS 30 N 0.05 -0.04 -0.42 0.20 3.64 -1.76 1.94 116.57 120.18 1s4x h LYS 30 Ca 0.40 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1s4x h LYS 30 Cb 1.53 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 1s4x h LYS 30 CO -0.03 -0.03 0.27 0.93 -2.27 0.00 0.00 179.45 178.33 1s4x h GLU 31 N -0.04 0.53 0.00 1.90 5.08 -1.68 2.31 114.58 122.68 1s4x h GLU 31 Ca 0.31 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1s4x h GLU 31 Cb 0.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1s4x h GLU 31 CO -0.72 0.35 -0.24 0.74 -1.00 0.00 0.00 179.01 178.14 1s4x h PHE 32 N 0.55 0.00 0.00 4.33 0.04 -0.65 0.64 116.94 121.85 1s4x h PHE 32 Ca 0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1s4x h PHE 32 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1s4x h PHE 32 CO -0.05 0.24 -0.52 0.00 -0.60 0.00 0.00 178.31 177.38 1s4x h ALA 33 N 1.76 0.76 0.00 2.45 0.00 0.48 -3.25 119.26 121.46 1s4x h ALA 33 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1s4x h ALA 33 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1s4x h ALA 33 CO 0.03 0.19 -0.52 -0.22 0.00 0.00 0.00 179.25 178.72 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.55 -3.33 116.57 117.43 1s4x h LYS 34 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1s4x h LYS 34 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1s4x h LYS 34 CO 0.01 0.33 0.21 0.34 -2.27 0.00 0.00 179.45 178.07 1s4x n PHE 35 N -4.61 0.21 -0.16 1.91 -0.00 0.21 -1.01 117.46 114.01 1s4x n PHE 35 Ca -0.12 0.11 -0.08 0.00 -0.00 0.00 0.00 57.45 57.36 1s4x n PHE 35 Cb 0.33 -0.50 0.01 0.00 -0.00 0.00 0.00 39.48 39.31 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1s4x h GLU 36 N 0.00 0.66 -1.18 -4.13 4.11 -1.66 -2.31 114.58 110.07 1s4x h GLU 36 Ca 0.00 -0.08 0.33 0.00 0.07 0.00 0.00 59.36 59.68 1s4x h GLU 36 Cb 0.41 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1s4x h GLU 36 CO 0.00 0.53 0.81 1.49 0.07 0.00 0.00 179.01 181.91 1s4x h GLU 37 N 0.61 0.15 0.99 1.06 4.57 -1.29 3.23 114.58 123.91 1s4x h GLU 37 Ca 0.16 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1s4x h GLU 37 Cb 0.07 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1s4x h GLU 37 CO -0.02 0.10 -0.49 0.93 -1.18 0.00 0.00 179.01 178.35 1s4x h GLU 38 N 0.16 -1.30 -0.30 1.92 5.08 -1.59 -3.29 114.58 115.26 1s4x h GLU 38 Ca 0.62 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1s4x h GLU 38 Cb 2.07 0.29 0.00 0.00 0.50 0.00 0.00 28.75 31.62 1s4x h GLU 38 CO -0.16 -0.86 0.00 2.89 -1.00 0.00 0.00 179.01 179.87 1s4x n ARG 39 N -5.65 2.88 0.00 2.33 1.85 -0.72 -4.71 116.66 112.64 1s4x n ARG 39 Ca -0.17 -2.34 0.00 0.00 -1.00 0.00 0.00 57.85 54.34 1s4x n ARG 39 Cb 0.53 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 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 0.06 0.00 0.35 2.89 0.00 1.07 -0.75 120.51 124.13 1s4x n ALA 40 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1s4x n ALA 40 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 0.44 -0.28 0.00 1.74 -1.26 -4.18 116.66 113.11 1s4x n ARG 41 Ca 0.00 0.08 0.04 0.00 -0.77 0.00 0.00 57.85 57.20 1s4x n ARG 41 Cb 0.00 -1.72 0.18 0.00 -1.02 0.00 0.00 32.46 29.90 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 2.28 1.17 0.00 7.54 0.00 -1.19 4.89 119.26 133.96 1s4x h ALA 42 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s4x h ALA 42 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s4x h ALA 42 CO 0.00 0.01 -0.00 1.57 0.00 0.00 0.00 179.25 180.83 1s4x h LYS 43 N 0.71 0.00 0.00 0.00 -0.00 -1.85 -3.24 116.57 112.19 1s4x h LYS 43 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 61.04 1s4x h LYS 43 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.65 1s4x h LYS 43 CO -0.29 0.00 -0.31 -2.67 -0.00 0.00 0.00 179.45 176.18 1s4x n TRP 44 N -3.43 0.00 0.02 0.07 4.27 0.47 -5.00 117.44 113.83 1s4x n TRP 44 Ca -0.03 -0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1s4x n TRP 44 Cb 0.08 0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.13 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 0.03 -0.27 0.00 -0.67 8.00 1.38 -4.91 116.55 120.11 1s4x n ASP 45 Ca -0.01 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1s4x n ASP 45 Cb 0.64 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.11 0.00 -0.08 -3.53 5.66 1.01 -4.21 114.28 111.02 1s4x n THR 46 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1s4x n THR 46 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 -4.61 120.51 118.11 1s4x n ALA 47 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 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 -3.05 0.00 -4.80 0.00 0.23 -1.26 -3.77 115.26 102.60 1s4x n ASN 48 Ca -0.29 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.45 1s4x n ASN 48 Cb 0.80 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.44 1s4x n ASN 48 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1s4x s ASN 49 N -2.94 5.70 0.00 0.53 2.47 -1.26 -4.93 114.94 114.51 1s4x s ASN 49 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1s4x s ASN 49 Cb 0.00 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.22 1s4x s ASN 49 CO 0.00 0.17 0.45 -2.65 -3.72 0.00 0.00 177.10 171.35 1s4x n PRO 50 N 0.41 0.00 -0.35 0.43 -0.02 -1.25 -2.45 135.00 131.78 1s4x n PRO 50 Ca -0.08 0.09 -0.06 0.00 -2.02 0.00 0.00 63.50 61.43 1s4x n PRO 50 Cb 0.51 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1s4x n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1s4x n LEU 51 N -0.95 -0.78 -0.30 2.45 -0.00 -1.26 0.30 117.00 116.46 1s4x n LEU 51 Ca 0.00 1.54 0.10 0.00 -0.00 0.00 0.00 56.01 57.65 1s4x n LEU 51 Cb 0.21 -0.26 0.32 0.00 -0.00 0.00 0.00 43.42 43.69 1s4x n LEU 51 CO 0.00 -1.31 1.23 0.22 -0.00 0.00 0.00 177.39 177.53 1s4x h TYR 52 N 0.00 0.94 0.00 1.96 5.03 -1.67 2.11 116.97 125.34 1s4x h TYR 52 Ca 0.21 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1s4x h TYR 52 Cb 0.43 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1s4x h TYR 52 CO -0.84 0.37 -0.05 -0.22 -1.32 0.00 0.00 178.16 176.10 1s4x h LYS 53 N 0.82 0.00 0.23 1.82 1.63 0.44 -2.95 116.57 118.55 1s4x h LYS 53 Ca 0.46 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.91 1s4x h LYS 53 Cb 0.59 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.25 1s4x h LYS 53 CO -0.22 0.05 -1.61 0.93 -3.45 0.00 0.00 179.45 175.15 1s4x h GLU 54 N 0.00 0.48 -0.68 1.90 5.08 1.69 -1.91 114.58 121.14 1s4x h GLU 54 Ca -0.00 -0.82 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1s4x h GLU 54 Cb 0.97 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1s4x h GLU 54 CO 0.01 1.39 0.43 0.00 -1.00 0.00 0.00 179.01 179.84 1s4x h ALA 55 N 0.14 1.48 0.01 3.43 0.00 0.23 -0.23 119.26 124.32 1s4x h ALA 55 Ca -0.30 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1s4x h ALA 55 Cb 2.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1s4x h ALA 55 CO 0.23 0.47 -0.91 1.79 0.00 0.00 0.00 179.25 180.83 1s4x h THR 56 N 0.93 1.50 0.00 0.00 1.35 -1.57 -2.64 112.91 112.48 1s4x h THR 56 Ca 0.25 -2.67 -0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1s4x h THR 56 Cb -0.08 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1s4x h THR 56 CO -0.05 0.78 -0.01 -1.28 -0.25 0.00 0.00 175.52 174.70 1s4x h SER 57 N 0.11 0.00 0.00 5.36 0.87 -0.25 -1.06 113.55 118.57 1s4x h SER 57 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1s4x h SER 57 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1s4x h SER 57 CO 0.14 0.01 0.37 0.74 -0.53 0.00 0.00 176.83 177.57 1s4x h THR 58 N 0.00 0.00 0.01 2.23 2.02 -0.79 2.57 112.91 118.96 1s4x h THR 58 Ca -0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1s4x h THR 58 Cb 0.09 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1s4x h THR 58 CO 0.00 0.00 -1.70 0.33 0.37 0.00 0.00 175.52 174.52 1s4x n PHE 59 N -2.10 0.75 0.15 3.16 7.35 -0.40 -4.31 117.46 122.06 1s4x n PHE 59 Ca -0.01 0.30 0.03 0.00 -0.76 0.00 0.00 57.45 57.01 1s4x n PHE 59 Cb 0.39 -1.08 0.05 0.00 0.35 0.00 0.00 39.48 39.20 1s4x n PHE 59 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1s4x h THR 60 N -0.86 0.83 0.00 -2.13 2.02 -0.74 -3.19 112.91 108.84 1s4x h THR 60 Ca -0.46 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1s4x h THR 60 Cb 1.48 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1s4x h THR 60 CO -0.23 0.46 0.09 -3.20 0.37 0.00 0.00 175.52 173.00 1s4x n ASN 61 N -3.24 0.00 -0.00 4.18 5.15 0.83 0.29 115.26 122.47 1s4x n ASN 61 Ca 0.02 0.29 0.09 0.00 -0.60 0.00 0.00 54.58 54.38 1s4x n ASN 61 Cb 0.71 -0.29 -0.12 0.00 -0.53 0.00 0.00 39.78 39.55 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 -1.26 0.00 0.11 -1.44 5.41 -1.20 -4.30 119.36 116.68 1s4x n ILE 62 Ca 0.00 -0.26 0.03 0.00 1.00 0.00 0.00 62.75 63.52 1s4x n ILE 62 Cb 0.09 0.51 -0.04 0.00 -0.71 0.00 0.00 39.64 39.48 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 -1.80 0.00 0.00 1.39 -1.04 0.40 -4.53 114.28 108.70 1s4x n THR 63 Ca -0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1s4x n THR 63 Cb 0.38 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.54 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 -1.45 0.00 0.21 -1.42 4.11 0.83 -1.34 117.16 118.10 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 0.12 -0.24 0.13 0.00 -0.00 0.00 0.00 39.34 39.35 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 -1.20 0.01 -1.50 -3.48 1.74 -1.26 -4.79 116.66 106.19 1s4x n ARG 65 Ca 0.00 0.37 -0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1s4x n ARG 65 Cb 0.10 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4x n GLY 66 N -0.88 0.38 3.45 -0.13 0.00 -0.45 -5.23 105.19 102.34 1s4x n GLY 66 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73