#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 -1.54 0.17 -0.35 5.85 -2.04 2.18 115.31 119.58 1s4x h LEU 22 Ca 0.00 0.22 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 1s4x h LEU 22 Cb 0.00 0.66 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1s4x h LEU 22 CO 0.00 -0.24 -1.58 0.25 -0.34 0.00 0.00 178.44 176.53 1s4x h LEU 23 N -0.15 0.55 -2.00 2.25 5.85 -2.02 -0.17 115.31 119.62 1s4x h LEU 23 Ca 0.09 -0.91 0.02 0.00 0.84 0.00 0.00 57.88 57.92 1s4x h LEU 23 Cb 0.38 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1s4x h LEU 23 CO -0.59 1.71 0.35 0.40 -0.34 0.00 0.00 178.44 179.98 1s4x h ILE 24 N -0.05 0.08 0.00 4.05 2.04 -1.92 2.38 117.51 124.10 1s4x h ILE 24 Ca -0.32 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.18 1s4x h ILE 24 Cb 1.97 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 1s4x h ILE 24 CO 0.14 0.00 -2.35 0.41 0.00 0.00 0.00 178.15 176.35 1s4x n THR 25 N -3.07 1.36 -0.00 -0.27 -1.04 0.74 -4.44 114.28 107.55 1s4x n THR 25 Ca -0.00 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.05 61.13 1s4x n THR 25 Cb 0.42 -0.93 -0.14 0.00 -1.82 0.00 0.00 70.33 67.87 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 0.00 1.06 0.00 12.58 5.03 0.10 -1.98 117.51 134.30 1s4x h ILE 26 Ca -0.53 -2.38 0.00 0.00 -0.12 0.00 0.00 64.86 61.83 1s4x h ILE 26 Cb 2.01 2.71 0.00 0.00 -3.03 0.00 0.00 36.82 38.52 1s4x h ILE 26 CO -0.03 0.67 0.48 1.12 -0.68 0.00 0.00 178.15 179.71 1s4x h HIS 27 N -0.39 0.00 0.00 1.37 2.07 0.37 0.14 115.15 118.71 1s4x h HIS 27 Ca -0.29 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.10 1s4x h HIS 27 Cb 1.69 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.64 1s4x h HIS 27 CO 0.13 0.00 -1.50 -0.25 -3.07 0.00 0.00 177.93 173.25 1s4x n ASP 28 N -1.96 3.30 0.19 3.10 9.92 -1.23 -4.49 116.55 125.37 1s4x n ASP 28 Ca -0.01 -0.03 0.05 0.00 -0.53 0.00 0.00 54.79 54.27 1s4x n ASP 28 Cb 0.49 0.13 0.25 0.00 -0.64 0.00 0.00 41.12 41.36 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 0.00 0.03 -1.24 2.43 0.09 -1.38 114.38 114.32 1s4x h ARG 29 Ca -0.19 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1s4x h ARG 29 Cb 1.35 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 1s4x h ARG 29 CO -0.02 0.00 -0.45 -0.22 -1.51 0.00 0.00 179.97 177.77 1s4x h LYS 30 N 0.00 -0.61 -0.89 0.20 3.64 -1.75 0.46 116.57 117.62 1s4x h LYS 30 Ca 0.00 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1s4x h LYS 30 Cb 0.98 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1s4x h LYS 30 CO 0.00 -0.40 0.58 0.93 -2.27 0.00 0.00 179.45 178.29 1s4x h GLU 31 N -0.63 1.08 -0.54 1.90 3.07 -1.59 0.17 114.58 118.04 1s4x h GLU 31 Ca 0.03 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 1s4x h GLU 31 Cb 0.69 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1s4x h GLU 31 CO -0.31 0.71 0.36 0.35 -1.40 0.00 0.00 179.01 178.73 1s4x h PHE 32 N 1.11 0.47 0.00 4.33 3.57 -0.96 0.53 116.94 125.99 1s4x h PHE 32 Ca 0.35 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 1s4x h PHE 32 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1s4x h PHE 32 CO -0.00 0.24 -0.52 0.00 -2.23 0.00 0.00 178.31 175.80 1s4x h ALA 33 N 1.71 0.74 0.00 2.41 0.00 0.25 -3.14 119.26 121.22 1s4x h ALA 33 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s4x h ALA 33 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s4x h ALA 33 CO -0.07 0.47 -0.20 -0.22 0.00 0.00 0.00 179.25 179.23 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.17 -3.31 116.57 117.07 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 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1s4x h LYS 34 CO 0.04 0.00 0.20 1.19 -2.27 0.00 0.00 179.45 178.61 1s4x n PHE 35 N -4.06 0.17 -0.28 1.91 3.01 0.15 -1.73 117.46 116.64 1s4x n PHE 35 Ca -0.03 0.09 0.08 0.00 1.01 0.00 0.00 57.45 58.61 1s4x n PHE 35 Cb 0.10 -0.47 0.23 0.00 -0.01 0.00 0.00 39.48 39.33 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1s4x h GLU 36 N 0.00 0.36 -0.79 -1.08 4.11 -1.63 0.39 114.58 115.95 1s4x h GLU 36 Ca 0.00 -0.02 0.23 0.00 0.07 0.00 0.00 59.36 59.64 1s4x h GLU 36 Cb 0.40 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1s4x h GLU 36 CO 0.00 0.24 0.58 1.49 0.07 0.00 0.00 179.01 181.39 1s4x h GLU 37 N 0.37 0.00 0.00 1.06 4.81 -1.57 2.84 114.58 122.08 1s4x h GLU 37 Ca 0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1s4x h GLU 37 Cb 0.82 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1s4x h GLU 37 CO -0.49 0.00 -0.28 0.93 -0.73 0.00 0.00 179.01 178.44 1s4x h GLU 38 N 0.00 0.00 -0.48 1.92 3.07 -0.45 -3.40 114.58 115.24 1s4x h GLU 38 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1s4x h GLU 38 Cb 1.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1s4x h GLU 38 CO -0.00 0.11 0.00 2.89 -1.40 0.00 0.00 179.01 180.61 1s4x n ARG 39 N -4.68 3.25 0.00 2.33 1.85 -1.00 -4.80 116.66 113.61 1s4x n ARG 39 Ca -0.05 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.18 1s4x n ARG 39 Cb 0.17 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 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 0.64 0.00 0.31 2.89 0.00 0.95 -0.97 120.51 124.32 1s4x n ALA 40 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1s4x n ALA 40 Cb 0.73 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.21 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 0.47 -0.28 0.00 1.74 -1.26 -4.21 116.66 113.12 1s4x n ARG 41 Ca 0.00 0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 1s4x n ARG 41 Cb 0.00 -1.72 0.16 0.00 -1.02 0.00 0.00 32.46 29.88 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 2.24 1.11 -0.03 7.54 0.00 -1.31 5.12 119.26 133.92 1s4x h ALA 42 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s4x h ALA 42 Cb 0.88 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s4x h ALA 42 CO 0.00 0.06 0.07 1.57 0.00 0.00 0.00 179.25 180.94 1s4x h LYS 43 N 0.73 0.00 0.00 0.00 -0.00 -1.85 -3.23 116.57 112.22 1s4x h LYS 43 Ca 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 61.03 1s4x h LYS 43 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.58 1s4x h LYS 43 CO -0.25 0.00 -0.27 -2.67 -0.00 0.00 0.00 179.45 176.26 1s4x n TRP 44 N -3.47 0.00 0.02 0.07 4.27 0.37 -5.00 117.44 113.70 1s4x n TRP 44 Ca -0.02 -0.01 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1s4x n TRP 44 Cb 0.15 0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.19 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 0.00 -0.41 0.00 -0.67 8.00 1.44 -4.91 116.55 120.01 1s4x n ASP 45 Ca -0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1s4x n ASP 45 Cb 0.61 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.22 0.00 -0.08 -3.53 5.66 1.04 -4.17 114.28 110.97 1s4x n THR 46 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 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 -4.62 120.51 118.09 1s4x n ALA 47 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1s4x n ALA 47 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.98 0.00 -4.54 0.00 0.23 -1.26 -3.74 115.26 102.97 1s4x n ASN 48 Ca -0.28 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.48 1s4x n ASN 48 Cb 0.79 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.39 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 -3.11 4.18 0.00 0.53 2.47 -1.26 -4.95 114.94 112.80 1s4x s ASN 49 Ca 0.00 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.81 1s4x s ASN 49 Cb 0.00 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 1s4x s ASN 49 CO 0.00 0.17 0.43 -2.65 -3.72 0.00 0.00 177.10 171.34 1s4x n PRO 50 N 0.69 0.00 -0.36 0.43 -0.02 -1.25 -2.28 135.00 132.21 1s4x n PRO 50 Ca -0.14 0.08 -0.04 0.00 -2.02 0.00 0.00 63.50 61.38 1s4x n PRO 50 Cb 0.53 -1.73 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.93 -0.71 -0.29 2.45 -0.00 -1.26 0.29 117.00 116.54 1s4x n LEU 51 Ca 0.00 1.59 0.08 0.00 -0.00 0.00 0.00 56.01 57.68 1s4x n LEU 51 Cb 0.23 -0.31 0.30 0.00 -0.00 0.00 0.00 43.42 43.64 1s4x n LEU 51 CO 0.00 -1.38 1.23 0.22 -0.00 0.00 0.00 177.39 177.46 1s4x h TYR 52 N 0.00 0.96 0.00 1.96 5.03 -1.65 2.41 116.97 125.68 1s4x h TYR 52 Ca 0.26 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.59 1s4x h TYR 52 Cb 0.49 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 1s4x h TYR 52 CO -0.84 0.42 -0.02 -0.22 -1.32 0.00 0.00 178.16 176.18 1s4x h LYS 53 N 0.87 0.00 0.08 1.82 1.63 0.41 -3.10 116.57 118.28 1s4x h LYS 53 Ca 0.43 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.95 1s4x h LYS 53 Cb 0.46 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1s4x h LYS 53 CO -0.19 0.02 -1.41 0.93 -3.45 0.00 0.00 179.45 175.35 1s4x h GLU 54 N 0.00 0.16 -0.28 1.90 5.08 1.51 -3.22 114.58 119.72 1s4x h GLU 54 Ca -0.00 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1s4x h GLU 54 Cb 0.96 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1s4x h GLU 54 CO 0.00 1.01 0.25 0.00 -1.00 0.00 0.00 179.01 179.27 1s4x h ALA 55 N 0.69 2.07 0.02 3.43 0.00 0.34 0.45 119.26 126.26 1s4x h ALA 55 Ca -0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1s4x h ALA 55 Cb 1.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1s4x h ALA 55 CO 0.15 -0.39 -0.96 1.79 0.00 0.00 0.00 179.25 179.84 1s4x h THR 56 N 0.00 1.56 0.00 0.00 1.35 -1.61 -2.82 112.91 111.39 1s4x h THR 56 Ca 0.13 -2.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.06 1s4x h THR 56 Cb 0.63 2.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1s4x h THR 56 CO -0.00 0.84 -0.07 -1.28 -0.25 0.00 0.00 175.52 174.76 1s4x h SER 57 N 0.06 0.00 0.00 5.36 0.87 -0.17 -1.26 113.55 118.41 1s4x h SER 57 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1s4x h SER 57 Cb 1.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1s4x h SER 57 CO 0.14 0.07 0.24 0.74 -0.53 0.00 0.00 176.83 177.49 1s4x h THR 58 N 0.00 0.00 0.01 2.23 2.02 -1.09 1.99 112.91 118.08 1s4x h THR 58 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1s4x h THR 58 Cb 0.34 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1s4x h THR 58 CO 0.01 0.00 -0.17 0.15 0.37 0.00 0.00 175.52 175.88 1s4x h PHE 59 N 0.00 0.15 0.00 3.16 3.57 -1.41 -3.28 116.94 119.14 1s4x h PHE 59 Ca 0.00 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1s4x h PHE 59 Cb 0.48 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1s4x h PHE 59 CO 0.00 0.94 -0.25 1.15 -2.23 0.00 0.00 178.31 177.92 1s4x h THR 60 N -0.69 0.25 0.00 4.41 2.02 -0.98 -3.18 112.91 114.75 1s4x h THR 60 Ca -0.02 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1s4x h THR 60 Cb 1.00 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1s4x h THR 60 CO 0.03 0.14 0.07 -3.20 0.37 0.00 0.00 175.52 172.93 1s4x n ASN 61 N -3.10 0.07 -0.04 4.18 5.15 0.65 0.11 115.26 122.28 1s4x n ASN 61 Ca 0.03 0.48 0.04 0.00 -0.60 0.00 0.00 54.58 54.53 1s4x n ASN 61 Cb 0.60 -0.48 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 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 -1.55 0.44 0.49 -1.44 5.41 -1.20 -4.07 119.36 117.44 1s4x n ILE 62 Ca -0.00 -0.61 0.11 0.00 1.00 0.00 0.00 62.75 63.25 1s4x n ILE 62 Cb 0.07 -0.15 0.01 0.00 -0.71 0.00 0.00 39.64 38.86 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 -2.41 0.20 0.02 1.39 -1.04 0.21 -4.09 114.28 108.57 1s4x n THR 63 Ca -0.13 -0.29 0.01 0.00 -2.04 0.00 0.00 64.05 61.60 1s4x n THR 63 Cb 0.75 0.14 0.04 0.00 -1.82 0.00 0.00 70.33 69.44 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 -2.05 0.05 0.38 -1.42 4.11 0.29 -1.09 117.16 117.42 1s4x n TYR 64 Ca 0.01 0.03 0.03 0.00 -0.00 0.00 0.00 57.90 57.97 1s4x n TYR 64 Cb 0.46 -0.27 0.16 0.00 -0.00 0.00 0.00 39.34 39.69 1s4x n TYR 64 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1s4x n ARG 65 N -1.33 0.19 -2.56 -3.48 1.85 -1.26 -4.76 116.66 105.31 1s4x n ARG 65 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1s4x n ARG 65 Cb 0.29 -1.45 -0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s4x n GLY 66 N -0.59 -0.50 1.58 2.89 0.00 -0.25 -5.23 105.19 103.08 1s4x n GLY 66 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1s4x n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95