#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 -1.45 0.13 -0.35 5.85 -2.05 1.57 115.31 119.01 1s4x h LEU 22 Ca 0.00 0.21 -0.33 0.00 0.84 0.00 0.00 57.88 58.60 1s4x h LEU 22 Cb 0.00 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1s4x h LEU 22 CO 0.00 -0.23 -1.69 0.25 -0.34 0.00 0.00 178.44 176.43 1s4x h LEU 23 N -0.14 0.42 -2.08 2.25 5.85 -2.02 -2.16 115.31 117.43 1s4x h LEU 23 Ca 0.08 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1s4x h LEU 23 Cb 0.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1s4x h LEU 23 CO -0.55 1.57 0.10 0.40 -0.34 0.00 0.00 178.44 179.62 1s4x h ILE 24 N 0.07 0.00 0.02 4.05 2.04 -1.90 2.26 117.51 124.06 1s4x h ILE 24 Ca -0.31 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.19 1s4x h ILE 24 Cb 2.04 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1s4x h ILE 24 CO 0.15 0.00 -2.24 0.41 0.00 0.00 0.00 178.15 176.46 1s4x n THR 25 N -2.67 1.53 -0.06 -0.27 -1.04 0.53 -3.75 114.28 108.56 1s4x n THR 25 Ca -0.02 -0.71 -0.16 0.00 -2.04 0.00 0.00 64.05 61.12 1s4x n THR 25 Cb 0.15 -1.13 -0.13 0.00 -1.82 0.00 0.00 70.33 67.40 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 0.01 1.66 0.00 12.58 2.04 0.02 -0.95 117.51 132.87 1s4x h ILE 26 Ca -0.50 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1s4x h ILE 26 Cb 2.05 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 41.38 1s4x h ILE 26 CO 0.01 0.60 0.04 1.57 0.00 0.00 0.00 178.15 180.36 1s4x n HIS 27 N -4.52 0.43 -0.13 1.37 -0.00 0.73 -2.11 115.22 110.98 1s4x n HIS 27 Ca -0.13 0.22 -0.29 0.00 0.46 0.00 0.00 57.72 57.99 1s4x n HIS 27 Cb 0.55 -0.83 -0.10 0.00 -0.12 0.00 0.00 29.99 29.49 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 1.89 0.17 0.26 9.92 -1.20 -4.20 116.55 121.46 1s4x n ASP 28 Ca -0.01 0.32 0.08 0.00 -0.53 0.00 0.00 54.79 54.65 1s4x n ASP 28 Cb 0.06 -0.78 0.42 0.00 -0.64 0.00 0.00 41.12 40.17 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 -0.95 0.00 -0.32 -1.24 0.11 -0.70 0.19 114.38 111.47 1s4x h ARG 29 Ca -0.68 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.41 1s4x h ARG 29 Cb 1.60 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.66 1s4x h ARG 29 CO -0.41 0.00 0.20 -0.22 0.10 0.00 0.00 179.97 179.65 1s4x h LYS 30 N 0.00 0.40 -0.15 0.08 3.64 -1.59 2.77 116.57 121.72 1s4x h LYS 30 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1s4x h LYS 30 Cb 0.50 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1s4x h LYS 30 CO 0.00 0.27 -0.25 0.93 -2.27 0.00 0.00 179.45 178.12 1s4x h GLU 31 N 0.42 0.45 0.29 1.90 5.08 -0.88 -0.21 114.58 121.62 1s4x h GLU 31 Ca 0.12 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1s4x h GLU 31 Cb -0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s4x h GLU 31 CO -0.03 0.87 -0.19 0.35 -1.00 0.00 0.00 179.01 179.00 1s4x h PHE 32 N 0.07 -0.49 0.00 4.33 3.57 -1.16 0.91 116.94 124.17 1s4x h PHE 32 Ca 0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s4x h PHE 32 Cb 0.83 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1s4x h PHE 32 CO 0.09 -0.29 -0.00 0.00 -2.23 0.00 0.00 178.31 175.88 1s4x h ALA 33 N 0.22 1.20 0.00 2.41 0.00 0.49 -1.29 119.26 122.29 1s4x h ALA 33 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s4x h ALA 33 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s4x h ALA 33 CO 0.02 0.00 -0.23 -0.22 0.00 0.00 0.00 179.25 178.83 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 1.63 0.99 -3.30 116.57 115.89 1s4x h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1s4x h LYS 34 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1s4x h LYS 34 CO 0.00 0.00 0.23 1.19 -3.45 0.00 0.00 179.45 177.42 1s4x n PHE 35 N -4.35 0.22 -0.32 1.91 3.72 0.29 -0.98 117.46 117.95 1s4x n PHE 35 Ca -0.03 0.11 0.16 0.00 -0.05 0.00 0.00 57.45 57.64 1s4x n PHE 35 Cb 0.12 -0.49 0.40 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.61 -0.24 -1.08 4.11 -1.31 0.29 114.58 116.95 1s4x h GLU 36 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.43 1s4x h GLU 36 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1s4x h GLU 36 CO 0.00 0.40 0.17 1.49 0.07 0.00 0.00 179.01 181.14 1s4x h GLU 37 N 0.62 0.14 0.61 1.06 4.81 -1.29 2.46 114.58 122.99 1s4x h GLU 37 Ca 0.54 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 1s4x h GLU 37 Cb 1.03 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.39 1s4x h GLU 37 CO -0.30 0.09 -0.29 0.93 -0.73 0.00 0.00 179.01 178.71 1s4x h GLU 38 N 0.15 -0.78 -0.62 1.92 5.08 -0.62 -3.30 114.58 116.41 1s4x h GLU 38 Ca 0.11 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1s4x h GLU 38 Cb 0.24 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s4x h GLU 38 CO -0.02 -0.49 0.00 2.89 -1.00 0.00 0.00 179.01 180.39 1s4x n ARG 39 N -5.33 3.37 0.00 2.33 1.85 -1.13 -4.78 116.66 112.98 1s4x n ARG 39 Ca -0.11 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 53.99 1s4x n ARG 39 Cb 0.34 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 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 1.10 0.00 0.41 2.89 0.00 0.83 -1.16 120.51 124.58 1s4x n ALA 40 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1s4x n ALA 40 Cb 0.78 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.26 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 0.39 -0.28 0.00 1.74 -1.26 -4.21 116.66 113.04 1s4x n ARG 41 Ca 0.00 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 1s4x n ARG 41 Cb 0.00 -1.66 0.18 0.00 -1.02 0.00 0.00 32.46 29.96 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 2.36 1.16 0.00 7.54 0.00 -1.40 4.95 119.26 133.88 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 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s4x h ALA 42 CO 0.00 0.01 -0.01 1.57 0.00 0.00 0.00 179.25 180.83 1s4x h LYS 43 N 0.70 0.00 0.00 0.00 -0.00 -1.86 -3.25 116.57 112.17 1s4x h LYS 43 Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 61.03 1s4x h LYS 43 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.63 1s4x h LYS 43 CO -0.28 0.01 -0.36 -2.67 -0.00 0.00 0.00 179.45 176.14 1s4x n TRP 44 N -3.54 0.00 0.01 0.07 4.27 0.47 -5.00 117.44 113.72 1s4x n TRP 44 Ca -0.03 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 1s4x n TRP 44 Cb 0.09 0.09 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 0.05 -0.16 0.00 -0.67 8.00 1.40 -4.92 116.55 120.25 1s4x n ASP 45 Ca -0.02 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1s4x n ASP 45 Cb 0.67 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 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 -1.94 0.00 -0.09 -3.53 5.66 0.98 -4.23 114.28 111.13 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 -4.65 120.51 118.06 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 -3.19 0.00 -4.89 0.00 6.94 -1.26 -3.92 115.26 108.94 1s4x n ASN 48 Ca -0.32 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 53.94 1s4x n ASN 48 Cb 0.81 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.19 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 -2.12 6.52 0.00 0.53 3.04 -1.26 -4.90 114.94 116.76 1s4x s ASN 49 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 52.86 53.81 1s4x s ASN 49 Cb 0.00 -2.23 0.00 0.00 -1.54 0.00 0.00 41.25 37.48 1s4x s ASN 49 CO 0.00 -0.24 0.64 -2.65 -3.04 0.00 0.00 177.10 171.81 1s4x n PRO 50 N -0.87 0.00 -0.34 0.43 -0.01 -1.25 -2.05 135.00 130.91 1s4x n PRO 50 Ca 0.00 0.20 0.01 0.00 -0.01 0.00 0.00 63.50 63.70 1s4x n PRO 50 Cb 0.54 -1.68 0.07 0.00 -0.01 0.00 0.00 33.50 32.42 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 -1.18 -1.26 2.45 7.12 -1.90 2.89 115.31 123.42 1s4x h LEU 51 Ca 0.00 0.29 0.19 0.00 0.13 0.00 0.00 57.88 58.49 1s4x h LEU 51 Cb 0.36 0.67 -0.08 0.00 -0.53 0.00 0.00 40.66 41.07 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 -0.02 0.81 0.00 1.25 -0.00 -1.62 2.75 116.97 120.14 1s4x h TYR 52 Ca 0.37 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 59.12 1s4x h TYR 52 Cb 0.63 -0.25 -0.00 0.00 -0.00 0.00 0.00 36.73 37.11 1s4x h TYR 52 CO -0.79 0.21 -0.13 -0.22 -0.00 0.00 0.00 178.16 177.23 1s4x h LYS 53 N 0.61 0.00 0.15 0.10 1.63 0.44 -3.21 116.57 116.30 1s4x h LYS 53 Ca 0.51 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 60.01 1s4x h LYS 53 Cb 0.99 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.63 1s4x h LYS 53 CO -0.26 0.05 -1.40 0.93 -3.45 0.00 0.00 179.45 175.32 1s4x h GLU 54 N 0.00 0.33 -0.39 1.90 4.39 1.25 -3.01 114.58 119.05 1s4x h GLU 54 Ca -0.00 -0.56 0.07 0.00 0.34 0.00 0.00 59.36 59.21 1s4x h GLU 54 Cb 1.04 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1s4x h GLU 54 CO 0.01 1.24 0.27 0.00 -1.16 0.00 0.00 179.01 179.36 1s4x h ALA 55 N 0.45 2.07 0.02 3.43 0.00 0.17 0.22 119.26 125.62 1s4x h ALA 55 Ca -0.20 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1s4x h ALA 55 Cb 2.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1s4x h ALA 55 CO 0.21 -0.15 -0.93 1.79 0.00 0.00 0.00 179.25 180.16 1s4x h THR 56 N 0.23 1.53 0.00 0.00 1.35 -1.60 -2.74 112.91 111.68 1s4x h THR 56 Ca 0.18 -2.78 -0.01 0.00 -0.55 0.00 0.00 66.41 63.25 1s4x h THR 56 Cb 0.40 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1s4x h THR 56 CO -0.03 0.81 -0.03 0.28 -0.25 0.00 0.00 175.52 176.29 1s4x h SER 57 N 0.08 0.00 0.00 5.36 0.02 -0.47 -1.11 113.55 117.43 1s4x h SER 57 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1s4x h SER 57 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1s4x h SER 57 CO 0.14 0.03 0.38 0.74 -1.14 0.00 0.00 176.83 176.99 1s4x h THR 58 N 0.00 0.00 0.00 -2.27 2.02 -0.97 0.96 112.91 112.65 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 0.20 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1s4x h THR 58 CO 0.00 0.00 -0.16 0.15 0.37 0.00 0.00 175.52 175.89 1s4x h PHE 59 N 0.00 0.15 0.00 3.16 3.57 -1.40 -3.24 116.94 119.18 1s4x h PHE 59 Ca 0.00 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1s4x h PHE 59 Cb 0.77 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1s4x h PHE 59 CO 0.00 0.91 -0.19 1.15 -2.23 0.00 0.00 178.31 177.94 1s4x h THR 60 N -0.65 0.37 0.00 4.41 2.02 -0.54 -3.09 112.91 115.43 1s4x h THR 60 Ca -0.02 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1s4x h THR 60 Cb 0.95 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1s4x h THR 60 CO 0.03 0.19 0.07 -3.20 0.37 0.00 0.00 175.52 172.98 1s4x n ASN 61 N -3.20 0.00 -0.01 4.18 5.15 0.29 0.27 115.26 121.95 1s4x n ASN 61 Ca 0.02 0.33 0.06 0.00 -0.60 0.00 0.00 54.58 54.39 1s4x n ASN 61 Cb 0.54 -0.33 -0.10 0.00 -0.53 0.00 0.00 39.78 39.36 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 -1.31 0.06 0.34 -1.44 5.41 -1.17 -4.36 119.36 116.90 1s4x n ILE 62 Ca 0.00 -0.32 0.10 0.00 1.00 0.00 0.00 62.75 63.53 1s4x n ILE 62 Cb 0.07 0.13 -0.14 0.00 -0.71 0.00 0.00 39.64 38.99 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 -2.00 0.00 0.03 1.39 -1.04 0.22 -4.20 114.28 108.68 1s4x n THR 63 Ca -0.04 -0.30 0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1s4x n THR 63 Cb 0.39 0.42 0.08 0.00 -1.82 0.00 0.00 70.33 69.40 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 -1.90 0.10 0.29 -1.42 4.11 0.77 -0.46 117.16 118.66 1s4x n TYR 64 Ca -0.01 0.05 0.15 0.00 -0.00 0.00 0.00 57.90 58.10 1s4x n TYR 64 Cb 0.43 -0.54 0.52 0.00 -0.00 0.00 0.00 39.34 39.75 1s4x n TYR 64 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1s4x h ARG 65 N 0.00 0.00 0.00 -3.48 2.43 -1.80 -3.46 114.38 108.06 1s4x h ARG 65 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s4x h ARG 65 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1s4x h ARG 65 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1s4x n GLY 66 N 0.38 0.54 2.95 2.80 0.00 0.40 -5.21 105.19 107.05 1s4x n GLY 66 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1s4x n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02