#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 -1.34 0.13 -0.35 5.85 -2.04 1.53 115.31 119.08 1s4x h LEU 22 Ca 0.00 0.19 -0.32 0.00 0.84 0.00 0.00 57.88 58.59 1s4x h LEU 22 Cb 0.00 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1s4x h LEU 22 CO 0.00 -0.21 -1.64 0.25 -0.34 0.00 0.00 178.44 176.50 1s4x h LEU 23 N -0.13 0.42 -1.87 2.25 5.85 -2.03 -0.92 115.31 118.88 1s4x h LEU 23 Ca 0.08 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1s4x h LEU 23 Cb 0.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1s4x h LEU 23 CO -0.51 1.54 0.11 0.40 -0.34 0.00 0.00 178.44 179.64 1s4x h ILE 24 N 0.07 0.00 0.00 4.05 2.04 -1.92 0.22 117.51 121.98 1s4x h ILE 24 Ca -0.29 0.00 -0.41 0.00 1.00 0.00 0.00 64.86 65.16 1s4x h ILE 24 Cb 2.04 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.68 1s4x h ILE 24 CO 0.15 0.00 -2.46 0.41 0.00 0.00 0.00 178.15 176.25 1s4x n THR 25 N -2.56 1.45 0.14 -0.27 -1.04 0.52 -4.27 114.28 108.24 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 0.15 -1.64 -0.08 0.00 -1.82 0.00 0.00 70.33 66.94 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 -0.51 0.80 0.00 12.58 1.08 -0.36 0.57 117.51 131.66 1s4x h ILE 26 Ca -0.62 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1s4x h ILE 26 Cb 1.72 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1s4x h ILE 26 CO -0.26 0.11 0.29 1.57 -0.69 0.00 0.00 178.15 179.17 1s4x n HIS 27 N -5.12 0.17 -0.04 1.37 -0.00 0.71 0.97 115.22 113.28 1s4x n HIS 27 Ca -0.09 0.09 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1s4x n HIS 27 Cb 0.23 -0.40 -0.10 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 -1.60 1.90 0.19 0.26 9.92 -0.65 -4.34 116.55 122.24 1s4x n ASP 28 Ca -0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1s4x n ASP 28 Cb 0.30 1.16 0.66 0.00 -0.64 0.00 0.00 41.12 42.60 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 -1.31 -1.24 0.11 0.28 -2.44 114.38 109.78 1s4x h ARG 29 Ca -0.19 0.00 0.38 0.00 0.10 0.00 0.00 59.98 60.27 1s4x h ARG 29 Cb 1.27 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.28 1s4x h ARG 29 CO 0.01 0.00 0.91 1.57 0.10 0.00 0.00 179.97 182.56 1s4x h LYS 30 N 0.00 0.09 0.00 0.08 2.10 -1.72 1.73 116.57 118.86 1s4x h LYS 30 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1s4x h LYS 30 Cb 0.14 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1s4x h LYS 30 CO 0.00 0.06 -0.14 0.93 -2.00 0.00 0.00 179.45 178.30 1s4x h GLU 31 N 0.09 0.09 -0.01 0.07 4.39 -1.77 -0.65 114.58 116.79 1s4x h GLU 31 Ca 0.67 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 60.29 1s4x h GLU 31 Cb 2.42 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 31.09 1s4x h GLU 31 CO -0.13 0.88 -0.05 0.74 -1.16 0.00 0.00 179.01 179.29 1s4x h PHE 32 N -0.67 -0.13 -0.15 4.33 -1.00 0.29 2.59 116.94 122.20 1s4x h PHE 32 Ca -0.02 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1s4x h PHE 32 Cb 0.93 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 1s4x h PHE 32 CO 0.20 -0.08 0.13 0.00 -1.61 0.00 0.00 178.31 176.95 1s4x h ALA 33 N 0.91 1.89 0.00 2.45 0.00 0.21 0.77 119.26 125.50 1s4x h ALA 33 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4x h ALA 33 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s4x h ALA 33 CO -0.06 -0.21 -0.29 -0.22 0.00 0.00 0.00 179.25 178.47 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.11 -3.31 116.57 117.01 1s4x h LYS 34 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1s4x h LYS 34 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1s4x h LYS 34 CO -0.00 0.00 0.21 1.19 -2.27 0.00 0.00 179.45 178.58 1s4x n PHE 35 N -4.54 0.18 -0.23 1.91 3.01 0.84 -1.35 117.46 117.27 1s4x n PHE 35 Ca -0.04 0.09 0.02 0.00 1.01 0.00 0.00 57.45 58.53 1s4x n PHE 35 Cb 0.15 -0.47 0.14 0.00 -0.01 0.00 0.00 39.48 39.29 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 0.45 -1.12 -1.08 4.11 -0.94 0.16 114.58 116.16 1s4x h GLU 36 Ca 0.00 -0.03 0.32 0.00 0.07 0.00 0.00 59.36 59.73 1s4x h GLU 36 Cb 0.42 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1s4x h GLU 36 CO 0.00 0.29 0.83 1.49 0.07 0.00 0.00 179.01 181.70 1s4x h GLU 37 N 0.46 0.00 0.00 1.06 4.81 -1.44 3.00 114.58 122.47 1s4x h GLU 37 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1s4x h GLU 37 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1s4x h GLU 37 CO -0.33 0.00 -0.22 0.93 -0.73 0.00 0.00 179.01 178.65 1s4x h GLU 38 N 0.00 0.00 -0.28 1.92 5.08 -0.90 -3.41 114.58 116.99 1s4x h GLU 38 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1s4x h GLU 38 Cb 2.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.44 1s4x h GLU 38 CO -0.01 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.89 1s4x n ARG 39 N -4.52 2.85 0.00 2.33 1.85 -1.02 -4.82 116.66 113.32 1s4x n ARG 39 Ca -0.03 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.55 1s4x n ARG 39 Cb 0.12 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.04 0.00 0.27 2.89 0.00 1.00 -1.18 120.51 123.53 1s4x n ALA 40 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1s4x n ALA 40 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 0.49 0.00 0.00 1.74 -1.26 -4.16 116.66 113.47 1s4x n ARG 41 Ca 0.00 -0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.05 1s4x n ARG 41 Cb 0.00 -1.61 0.14 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.05 1.77 -0.01 7.54 0.00 -0.33 0.36 120.51 127.79 1s4x n ALA 42 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1s4x n ALA 42 Cb 0.51 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 0.33 -0.50 0.00 2.85 -1.26 -4.66 118.16 114.11 1s4x n LYS 43 Ca 0.04 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1s4x n LYS 43 Cb 0.02 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.83 0.00 0.00 5.58 4.27 0.04 -5.00 117.44 120.51 1s4x n TRP 44 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1s4x n TRP 44 Cb 0.25 0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.23 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 0.00 0.00 -0.67 8.00 1.01 -4.92 116.55 119.97 1s4x n ASP 45 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1s4x n ASP 45 Cb 0.64 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.52 0.00 -0.08 -3.53 5.66 1.11 -4.38 114.28 111.54 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 -0.07 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 1.72 0.00 1.79 0.00 -1.26 -4.68 120.51 118.08 1s4x n ALA 47 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1s4x n ALA 47 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.28 0.00 -4.81 0.00 0.23 -1.26 -4.10 115.26 102.04 1s4x n ASN 48 Ca -0.31 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.41 1s4x n ASN 48 Cb 0.79 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.46 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 -0.51 6.30 0.00 0.53 3.84 -1.26 -4.83 114.94 119.01 1s4x s ASN 49 Ca 0.00 1.81 0.00 0.00 0.21 0.00 0.00 52.86 54.88 1s4x s ASN 49 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1s4x s ASN 49 CO 0.00 -0.81 0.66 -2.65 -2.79 0.00 0.00 177.10 171.51 1s4x n PRO 50 N -1.33 0.00 -0.32 0.43 -0.02 -1.26 -1.66 135.00 130.84 1s4x n PRO 50 Ca 0.08 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1s4x n PRO 50 Cb 0.53 -1.78 0.11 0.00 -0.02 0.00 0.00 33.50 32.35 1s4x n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s4x h LEU 51 N 0.00 -0.87 -1.36 2.45 7.12 -1.88 2.79 115.31 123.56 1s4x h LEU 51 Ca 0.00 0.27 0.20 0.00 0.13 0.00 0.00 57.88 58.48 1s4x h LEU 51 Cb 0.55 0.57 -0.08 0.00 -0.53 0.00 0.00 40.66 41.17 1s4x h LEU 51 CO 0.00 -0.30 0.61 0.10 -0.13 0.00 0.00 178.44 178.73 1s4x h TYR 52 N -0.00 0.70 0.00 1.25 -0.00 -1.52 2.81 116.97 120.20 1s4x h TYR 52 Ca 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 59.16 1s4x h TYR 52 Cb 0.65 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.16 1s4x h TYR 52 CO -0.71 0.17 -0.41 -0.22 -0.00 0.00 0.00 178.16 177.00 1s4x h LYS 53 N 0.51 0.00 0.00 0.10 3.11 0.43 -3.23 116.57 117.49 1s4x h LYS 53 Ca 0.51 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 58.13 1s4x h LYS 53 Cb 1.12 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.31 1s4x h LYS 53 CO -0.24 0.06 -1.20 0.93 -2.81 0.00 0.00 179.45 176.19 1s4x h GLU 54 N 0.00 0.00 -0.77 1.90 4.39 1.11 -3.10 114.58 118.10 1s4x h GLU 54 Ca -0.01 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1s4x h GLU 54 Cb 1.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 1s4x h GLU 54 CO 0.01 0.74 0.51 0.00 -1.16 0.00 0.00 179.01 179.11 1s4x h ALA 55 N 1.08 1.94 0.09 3.43 0.00 0.24 0.28 119.26 126.32 1s4x h ALA 55 Ca -0.11 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1s4x h ALA 55 Cb 1.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1s4x h ALA 55 CO 0.10 -0.13 -1.15 1.79 0.00 0.00 0.00 179.25 179.86 1s4x h THR 56 N 0.56 1.53 0.00 0.00 1.35 -1.69 -2.91 112.91 111.75 1s4x h THR 56 Ca 0.37 -3.03 -0.00 0.00 -0.55 0.00 0.00 66.41 63.20 1s4x h THR 56 Cb 0.67 2.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1s4x h THR 56 CO -0.14 0.88 -0.02 0.28 -0.25 0.00 0.00 175.52 176.28 1s4x h SER 57 N 0.08 0.00 0.00 5.36 0.02 -0.51 -1.19 113.55 117.31 1s4x h SER 57 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1s4x h SER 57 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1s4x h SER 57 CO 0.18 0.02 0.45 0.74 -1.14 0.00 0.00 176.83 177.08 1s4x h THR 58 N 0.00 0.00 0.02 -2.27 2.02 -0.56 2.53 112.91 114.65 1s4x h THR 58 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.96 1s4x h THR 58 Cb 0.13 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1s4x h THR 58 CO 0.00 0.00 -1.18 0.15 0.37 0.00 0.00 175.52 174.86 1s4x h PHE 59 N 0.00 0.09 0.00 3.16 3.57 -1.43 -3.37 116.94 118.96 1s4x h PHE 59 Ca 0.00 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 1s4x h PHE 59 Cb 0.89 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1s4x h PHE 59 CO 0.00 1.46 -0.47 1.15 -2.23 0.00 0.00 178.31 178.22 1s4x h THR 60 N -0.83 0.85 0.00 4.41 2.02 -0.41 -3.18 112.91 115.78 1s4x h THR 60 Ca -0.31 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1s4x h THR 60 Cb 1.38 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1s4x h THR 60 CO -0.13 0.46 0.14 -3.20 0.37 0.00 0.00 175.52 173.16 1s4x n ASN 61 N -3.27 0.00 -0.01 4.18 2.85 0.81 0.29 115.26 120.12 1s4x n ASN 61 Ca 0.02 0.31 0.09 0.00 -0.11 0.00 0.00 54.58 54.89 1s4x n ASN 61 Cb 0.69 -0.31 -0.13 0.00 1.24 0.00 0.00 39.78 41.27 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 -1.29 0.00 0.14 -1.44 5.41 -1.20 -4.28 119.36 116.69 1s4x n ILE 62 Ca 0.00 -0.31 0.03 0.00 1.00 0.00 0.00 62.75 63.48 1s4x n ILE 62 Cb 0.14 0.39 -0.05 0.00 -0.71 0.00 0.00 39.64 39.41 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 -1.91 0.00 0.00 1.39 -1.04 0.47 -4.52 114.28 108.66 1s4x n THR 63 Ca -0.01 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1s4x n THR 63 Cb 0.43 0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 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 -1.49 0.00 0.48 -1.42 4.11 0.84 -1.43 117.16 118.25 1s4x n TYR 64 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.92 1s4x n TYR 64 Cb 0.15 -0.25 0.16 0.00 -0.00 0.00 0.00 39.34 39.40 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 -1.22 0.24 -2.31 -3.48 1.85 -1.26 -4.75 116.66 105.73 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 0.18 -1.35 -0.01 0.00 -1.05 0.00 0.00 32.46 30.23 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 -0.44 -0.30 3.27 2.89 0.00 -0.52 -5.23 105.19 104.87 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 -1.30 0.00 0.00 0.00 173.32 172.02