#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 -1.19 0.12 -0.35 5.85 -2.05 1.20 115.31 118.89 1s4x h LEU 22 Ca 0.00 0.16 -0.32 0.00 0.84 0.00 0.00 57.88 58.57 1s4x h LEU 22 Cb 0.00 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1s4x h LEU 22 CO 0.00 -0.22 -1.64 0.25 -0.34 0.00 0.00 178.44 176.49 1s4x h LEU 23 N -0.17 0.39 -1.76 2.25 5.85 -2.03 -2.34 115.31 117.50 1s4x h LEU 23 Ca 0.06 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1s4x h LEU 23 Cb 0.33 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1s4x h LEU 23 CO -0.42 1.51 0.13 0.40 -0.34 0.00 0.00 178.44 179.72 1s4x h ILE 24 N 0.07 0.00 0.02 4.05 2.04 -1.92 0.39 117.51 122.16 1s4x h ILE 24 Ca -0.29 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.19 1s4x h ILE 24 Cb 2.03 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.64 1s4x h ILE 24 CO 0.15 0.00 -2.25 0.41 0.00 0.00 0.00 178.15 176.46 1s4x n THR 25 N -2.51 1.56 0.12 -0.27 -1.04 0.41 -3.55 114.28 109.00 1s4x n THR 25 Ca -0.02 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 1s4x n THR 25 Cb 0.17 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 66.89 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 -0.44 0.84 0.00 12.58 5.03 -0.66 0.28 117.51 135.15 1s4x h ILE 26 Ca -0.56 -0.53 0.00 0.00 -0.12 0.00 0.00 64.86 63.65 1s4x h ILE 26 Cb 1.75 1.15 0.00 0.00 -3.03 0.00 0.00 36.82 36.69 1s4x h ILE 26 CO -0.18 0.12 0.00 1.57 -0.68 0.00 0.00 178.15 178.97 1s4x n HIS 27 N -5.10 0.29 0.21 1.37 -0.00 0.12 -1.36 115.22 110.75 1s4x n HIS 27 Ca -0.09 0.15 0.06 0.00 0.46 0.00 0.00 57.72 58.29 1s4x n HIS 27 Cb 0.23 -0.74 -0.08 0.00 -0.12 0.00 0.00 29.99 29.28 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 -1.80 1.61 0.19 0.26 9.92 -0.79 -4.41 116.55 121.54 1s4x n ASP 28 Ca -0.00 -0.30 0.13 0.00 -0.53 0.00 0.00 54.79 54.09 1s4x n ASP 28 Cb 0.04 1.33 0.70 0.00 -0.64 0.00 0.00 41.12 42.54 1s4x n ASP 28 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1s4x h ARG 29 N 0.00 0.00 -0.41 -1.24 0.11 0.80 -2.52 114.38 111.12 1s4x h ARG 29 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 1s4x h ARG 29 Cb 0.44 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.44 1s4x h ARG 29 CO 0.00 0.00 -0.11 -0.22 0.10 0.00 0.00 179.97 179.74 1s4x h LYS 30 N 0.00 -0.01 0.24 0.08 3.64 -1.77 2.15 116.57 120.89 1s4x h LYS 30 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1s4x h LYS 30 Cb 0.04 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1s4x h LYS 30 CO 0.00 -0.01 -1.39 0.93 -2.27 0.00 0.00 179.45 176.71 1s4x h GLU 31 N -0.01 0.50 -0.66 1.90 4.39 -1.79 -2.57 114.58 116.33 1s4x h GLU 31 Ca 0.20 -0.85 0.02 0.00 0.34 0.00 0.00 59.36 59.07 1s4x h GLU 31 Cb 0.32 0.32 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1s4x h GLU 31 CO -0.43 1.41 0.42 0.35 -1.16 0.00 0.00 179.01 179.59 1s4x h PHE 32 N 0.06 0.78 0.00 4.33 3.04 -1.27 0.54 116.94 124.42 1s4x h PHE 32 Ca -0.25 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.71 1s4x h PHE 32 Cb 2.08 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.33 1s4x h PHE 32 CO 0.14 0.46 -0.08 0.00 -2.02 0.00 0.00 178.31 176.81 1s4x h ALA 33 N 1.27 1.04 0.00 2.41 0.00 0.34 -2.62 119.26 121.71 1s4x h ALA 33 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s4x h ALA 33 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s4x h ALA 33 CO -0.09 0.10 -0.24 -0.22 0.00 0.00 0.00 179.25 178.80 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 -0.36 -3.32 116.57 116.53 1s4x h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s4x h LYS 34 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1s4x h LYS 34 CO 0.01 0.00 0.23 0.34 -2.27 0.00 0.00 179.45 177.76 1s4x n PHE 35 N -4.32 0.23 -0.28 1.91 -0.00 0.16 -1.41 117.46 113.76 1s4x n PHE 35 Ca -0.03 0.12 0.06 0.00 -0.00 0.00 0.00 57.45 57.60 1s4x n PHE 35 Cb 0.12 -0.51 0.21 0.00 -0.00 0.00 0.00 39.48 39.30 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 0.55 -0.91 -4.13 4.11 -1.56 0.23 114.58 112.87 1s4x h GLU 36 Ca 0.00 -0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.58 1s4x h GLU 36 Cb 0.46 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1s4x h GLU 36 CO 0.00 0.36 0.59 1.49 0.07 0.00 0.00 179.01 181.52 1s4x h GLU 37 N 0.56 0.51 0.60 1.06 4.81 -1.47 2.50 114.58 123.15 1s4x h GLU 37 Ca 0.44 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1s4x h GLU 37 Cb 0.63 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1s4x h GLU 37 CO -0.37 0.34 -0.50 0.93 -0.73 0.00 0.00 179.01 178.68 1s4x h GLU 38 N 0.52 -1.03 -0.34 1.92 4.39 -1.15 -3.21 114.58 115.67 1s4x h GLU 38 Ca 0.48 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1s4x h GLU 38 Cb 1.01 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1s4x h GLU 38 CO -0.21 -0.69 0.00 2.89 -1.16 0.00 0.00 179.01 179.84 1s4x n ARG 39 N -5.59 2.96 0.00 2.33 1.85 -1.02 -4.81 116.66 112.38 1s4x n ARG 39 Ca -0.13 -2.40 0.00 0.00 -1.00 0.00 0.00 57.85 54.32 1s4x n ARG 39 Cb 0.48 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 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 0.20 0.00 0.33 2.89 0.00 0.84 -0.56 120.51 124.20 1s4x n ALA 40 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1s4x n ALA 40 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 0.45 0.00 0.00 1.74 -1.26 -4.16 116.66 113.43 1s4x n ARG 41 Ca 0.00 -0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1s4x n ARG 41 Cb 0.00 -1.63 0.14 0.00 -1.02 0.00 0.00 32.46 29.95 1s4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4x n ALA 42 N -2.01 1.77 -0.01 7.54 0.00 0.27 0.36 120.51 128.43 1s4x n ALA 42 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1s4x n ALA 42 Cb 0.49 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 1s4x n ALA 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s4x n LYS 43 N -0.81 0.38 -0.58 0.00 2.85 -1.26 -4.65 118.16 114.09 1s4x n LYS 43 Ca 0.04 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1s4x n LYS 43 Cb 0.02 -1.26 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1s4x n LYS 43 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1s4x n TRP 44 N -1.89 0.00 0.00 5.58 4.27 0.24 -5.00 117.44 120.65 1s4x n TRP 44 Ca -0.02 -0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 1s4x n TRP 44 Cb 0.30 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 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 -0.09 0.00 -0.67 8.00 1.00 -4.92 116.55 119.90 1s4x n ASP 45 Ca -0.01 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1s4x n ASP 45 Cb 0.67 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 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 -1.86 0.00 -0.08 -3.53 5.66 1.12 -4.16 114.28 111.42 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 1.66 0.00 1.79 0.00 -1.26 -4.63 120.51 118.07 1s4x n ALA 47 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1s4x n ALA 47 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.94 0.00 -4.48 0.00 6.94 -1.26 -3.72 115.26 109.81 1s4x n ASN 48 Ca -0.28 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 53.99 1s4x n ASN 48 Cb 0.80 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.11 1s4x n ASN 48 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1s4x s ASN 49 N -3.23 3.82 0.00 0.53 2.47 -1.26 -4.96 114.94 112.31 1s4x s ASN 49 Ca 0.00 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.71 1s4x s ASN 49 Cb 0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 41.25 39.28 1s4x s ASN 49 CO 0.00 0.18 0.51 -2.65 -3.72 0.00 0.00 177.10 171.43 1s4x n PRO 50 N 0.87 0.00 -0.36 0.43 -0.02 -1.24 -2.08 135.00 132.59 1s4x n PRO 50 Ca -0.16 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 1s4x n PRO 50 Cb 0.53 -1.82 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.01 -0.64 -0.27 2.45 -0.00 -1.26 0.30 117.00 116.57 1s4x n LEU 51 Ca 0.00 1.64 0.14 0.00 -0.00 0.00 0.00 56.01 57.79 1s4x n LEU 51 Cb 0.32 -0.36 0.42 0.00 -0.00 0.00 0.00 43.42 43.80 1s4x n LEU 51 CO 0.00 -1.46 1.22 0.10 -0.00 0.00 0.00 177.39 177.25 1s4x h TYR 52 N 0.00 0.75 0.00 1.96 -0.00 -1.62 2.82 116.97 120.89 1s4x h TYR 52 Ca 0.31 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 59.04 1s4x h TYR 52 Cb 0.55 -0.23 -0.00 0.00 -0.00 0.00 0.00 36.73 37.04 1s4x h TYR 52 CO -0.83 0.24 -0.15 -0.22 -0.00 0.00 0.00 178.16 177.19 1s4x h LYS 53 N 0.60 0.00 0.02 0.10 3.11 0.43 -3.10 116.57 117.74 1s4x h LYS 53 Ca 0.47 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 58.07 1s4x h LYS 53 Cb 0.88 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1s4x h LYS 53 CO -0.22 0.13 -1.23 0.93 -2.81 0.00 0.00 179.45 176.26 1s4x h GLU 54 N 0.00 0.04 -0.80 1.90 5.08 1.27 -2.55 114.58 119.53 1s4x h GLU 54 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1s4x h GLU 54 Cb 1.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1s4x h GLU 54 CO 0.02 0.91 0.40 0.00 -1.00 0.00 0.00 179.01 179.34 1s4x h ALA 55 N 0.92 1.03 -0.01 3.43 0.00 0.30 -0.48 119.26 124.45 1s4x h ALA 55 Ca -0.10 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1s4x h ALA 55 Cb 1.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1s4x h ALA 55 CO 0.13 0.58 -0.81 1.79 0.00 0.00 0.00 179.25 180.94 1s4x h THR 56 N 1.12 1.48 0.00 0.00 1.35 -1.60 -2.45 112.91 112.80 1s4x h THR 56 Ca 0.28 -2.49 -0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1s4x h THR 56 Cb 0.09 2.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1s4x h THR 56 CO -0.04 0.72 -0.02 -1.28 -0.25 0.00 0.00 175.52 174.66 1s4x h SER 57 N 0.11 0.00 0.00 5.36 0.87 -0.87 -1.14 113.55 117.88 1s4x h SER 57 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1s4x h SER 57 Cb 1.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1s4x h SER 57 CO 0.12 0.02 0.37 0.74 -0.53 0.00 0.00 176.83 177.55 1s4x h THR 58 N 0.00 0.00 0.02 2.23 2.02 -0.61 2.46 112.91 119.03 1s4x h THR 58 Ca -0.00 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1s4x h THR 58 Cb 0.12 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1s4x h THR 58 CO 0.00 0.00 -0.95 0.15 0.37 0.00 0.00 175.52 175.09 1s4x h PHE 59 N 0.00 0.07 0.00 3.16 3.04 -1.41 -3.36 116.94 118.44 1s4x h PHE 59 Ca 0.00 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 1s4x h PHE 59 Cb 0.74 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1s4x h PHE 59 CO 0.00 1.37 -0.32 1.15 -2.02 0.00 0.00 178.31 178.50 1s4x h THR 60 N -0.88 0.45 0.00 4.41 2.02 -0.61 -3.18 112.91 115.11 1s4x h THR 60 Ca -0.25 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1s4x h THR 60 Cb 1.30 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1s4x h THR 60 CO -0.11 0.26 0.07 -3.20 0.37 0.00 0.00 175.52 172.91 1s4x n ASN 61 N -3.15 0.00 -0.01 4.18 2.85 0.79 0.28 115.26 120.21 1s4x n ASN 61 Ca 0.03 0.39 0.09 0.00 -0.11 0.00 0.00 54.58 54.98 1s4x n ASN 61 Cb 0.64 -0.39 -0.14 0.00 1.24 0.00 0.00 39.78 41.14 1s4x n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1s4x n ILE 62 N -1.38 0.00 0.29 -1.44 5.41 -1.20 -4.26 119.36 116.77 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 0.07 0.19 -0.10 0.00 -0.71 0.00 0.00 39.64 39.10 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 0.28 -4.40 114.28 108.46 1s4x n THR 63 Ca -0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1s4x n THR 63 Cb 0.45 0.54 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 0.99 -1.42 4.11 0.80 -1.36 117.16 118.58 1s4x n TYR 64 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1s4x n TYR 64 Cb 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.40 1s4x n TYR 64 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1s4x n ARG 65 N -1.21 0.53 -0.42 -3.48 3.00 -1.26 -4.26 116.66 109.55 1s4x n ARG 65 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1s4x n ARG 65 Cb 0.18 -1.03 -0.07 0.00 0.00 0.00 0.00 32.46 31.53 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s4x n GLY 66 N 0.06 1.87 2.99 5.14 0.00 -0.46 -5.22 105.19 109.56 1s4x n GLY 66 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1s4x n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02