#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 -1.40 0.16 -0.35 5.85 -2.05 1.72 115.31 119.24 1s4x h LEU 22 Ca 0.00 0.20 -0.34 0.00 0.84 0.00 0.00 57.88 58.58 1s4x h LEU 22 Cb 0.00 0.59 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1s4x h LEU 22 CO 0.00 -0.24 -1.72 0.25 -0.34 0.00 0.00 178.44 176.39 1s4x h LEU 23 N -0.17 0.52 -2.32 2.25 5.85 -2.03 -2.18 115.31 117.23 1s4x h LEU 23 Ca 0.07 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1s4x h LEU 23 Cb 0.37 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1s4x h LEU 23 CO -0.51 1.68 0.23 0.40 -0.34 0.00 0.00 178.44 179.89 1s4x h ILE 24 N 0.09 0.03 0.02 4.05 2.04 -1.91 2.26 117.51 124.09 1s4x h ILE 24 Ca -0.32 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.18 1s4x h ILE 24 Cb 2.07 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 1s4x h ILE 24 CO 0.16 0.00 -2.17 0.41 0.00 0.00 0.00 178.15 176.55 1s4x n THR 25 N -3.00 1.52 0.09 -0.27 -1.04 0.58 -3.48 114.28 108.69 1s4x n THR 25 Ca -0.02 -0.76 -0.23 0.00 -2.04 0.00 0.00 64.05 61.00 1s4x n THR 25 Cb 0.29 -0.99 -0.15 0.00 -1.82 0.00 0.00 70.33 67.66 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 1.24 0.00 12.58 2.04 0.14 0.48 117.51 134.00 1s4x h ILE 26 Ca -0.47 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 62.81 1s4x h ILE 26 Cb 2.09 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 41.16 1s4x h ILE 26 CO 0.03 0.78 0.00 1.57 0.00 0.00 0.00 178.15 180.53 1s4x n HIS 27 N -3.83 0.48 -0.07 1.37 -0.00 0.73 -3.52 115.22 110.39 1s4x n HIS 27 Ca -0.19 0.19 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1s4x n HIS 27 Cb 1.00 -0.80 -0.06 0.00 -0.12 0.00 0.00 29.99 30.01 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 2.17 0.19 0.26 9.92 -1.22 -4.42 116.55 121.52 1s4x n ASP 28 Ca 0.03 0.03 0.06 0.00 -0.53 0.00 0.00 54.79 54.38 1s4x n ASP 28 Cb 0.21 -0.31 0.34 0.00 -0.64 0.00 0.00 41.12 40.72 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 -0.22 0.00 -0.52 -1.24 0.11 -0.94 -0.39 114.38 111.19 1s4x h ARG 29 Ca -0.35 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.84 1s4x h ARG 29 Cb 1.43 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.41 1s4x h ARG 29 CO -0.12 0.00 -0.15 -0.22 0.10 0.00 0.00 179.97 179.58 1s4x h LYS 30 N 0.00 -0.02 0.05 0.08 1.63 -1.77 2.71 116.57 119.25 1s4x h LYS 30 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1s4x h LYS 30 Cb 0.80 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 1s4x h LYS 30 CO 0.00 -0.01 -0.16 0.93 -3.45 0.00 0.00 179.45 176.75 1s4x h GLU 31 N -0.02 -0.29 0.26 1.90 4.39 -1.38 1.04 114.58 120.48 1s4x h GLU 31 Ca 0.25 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1s4x h GLU 31 Cb 0.41 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1s4x h GLU 31 CO -0.55 -0.19 -0.27 0.74 -1.16 0.00 0.00 179.01 177.58 1s4x h PHE 32 N -0.30 -0.71 -0.47 4.33 0.04 -0.95 1.73 116.94 120.61 1s4x h PHE 32 Ca 0.04 0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.95 1s4x h PHE 32 Cb 0.34 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1s4x h PHE 32 CO -0.19 -0.39 0.48 0.00 -0.60 0.00 0.00 178.31 177.61 1s4x h ALA 33 N 0.07 2.21 0.00 2.45 0.00 0.52 0.24 119.26 124.75 1s4x h ALA 33 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s4x h ALA 33 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1s4x h ALA 33 CO -0.06 -0.72 -0.27 -0.22 0.00 0.00 0.00 179.25 177.98 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.11 0.55 -3.30 116.57 116.93 1s4x h LYS 34 Ca 0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1s4x h LYS 34 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1s4x h LYS 34 CO -0.00 0.00 0.20 1.19 -2.81 0.00 0.00 179.45 178.03 1s4x n PHE 35 N -4.60 0.17 -0.20 1.91 3.72 0.54 -1.39 117.46 117.61 1s4x n PHE 35 Ca -0.04 0.09 0.01 0.00 -0.05 0.00 0.00 57.45 57.46 1s4x n PHE 35 Cb 0.14 -0.47 0.11 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.29 -1.38 -1.08 4.11 -0.62 0.15 114.58 116.06 1s4x h GLU 36 Ca 0.00 -0.02 0.40 0.00 0.07 0.00 0.00 59.36 59.81 1s4x h GLU 36 Cb 0.40 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1s4x h GLU 36 CO 0.00 0.19 0.99 1.49 0.07 0.00 0.00 179.01 181.75 1s4x h GLU 37 N 0.30 0.01 0.00 1.06 4.81 -1.45 3.19 114.58 122.50 1s4x h GLU 37 Ca 0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 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 -0.38 0.01 -0.24 0.93 -0.73 0.00 0.00 179.01 178.59 1s4x h GLU 38 N 0.01 0.00 -0.26 1.92 5.08 -0.91 -3.41 114.58 117.00 1s4x h GLU 38 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1s4x h GLU 38 Cb 2.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.87 1s4x h GLU 38 CO -0.02 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.88 1s4x n ARG 39 N -4.54 2.83 0.00 2.33 1.85 -0.97 -4.85 116.66 113.31 1s4x n ARG 39 Ca -0.03 -2.20 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 1s4x n ARG 39 Cb 0.13 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 0.10 2.89 0.00 1.06 -1.06 120.51 123.53 1s4x n ALA 40 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1s4x n ALA 40 Cb 0.53 0.00 -0.04 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 0.60 0.00 0.00 1.74 -1.26 -4.12 116.66 113.63 1s4x n ARG 41 Ca 0.00 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1s4x n ARG 41 Cb 0.00 -1.74 0.14 0.00 -1.02 0.00 0.00 32.46 29.84 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 -2.18 1.76 -0.01 7.54 0.00 -0.23 0.32 120.51 127.71 1s4x n ALA 42 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1s4x n ALA 42 Cb 0.55 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.82 0.84 -0.96 0.00 2.85 -1.26 -4.67 118.16 114.15 1s4x n LYS 43 Ca 0.04 -0.06 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 1s4x n LYS 43 Cb 0.02 -1.22 -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 -1.93 0.00 0.00 5.58 4.27 -0.06 -5.00 117.44 120.30 1s4x n TRP 44 Ca -0.05 -0.26 0.00 0.00 -3.89 0.00 0.00 57.50 53.30 1s4x n TRP 44 Cb 0.37 0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 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 0.20 0.00 0.00 -0.67 8.00 0.92 -4.98 116.55 120.01 1s4x n ASP 45 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1s4x n ASP 45 Cb 0.85 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 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 -1.01 0.00 -0.04 -3.53 5.66 0.94 -4.28 114.28 112.03 1s4x n THR 46 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1s4x n THR 46 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 1.81 0.00 1.79 0.00 -1.26 -4.71 120.51 118.14 1s4x n ALA 47 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1s4x n ALA 47 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.34 0.00 -4.79 0.00 2.04 -1.26 -4.22 115.26 104.68 1s4x n ASN 48 Ca -0.13 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.67 1s4x n ASN 48 Cb 0.74 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.96 1s4x n ASN 48 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1s4x s ASN 49 N 0.00 6.29 0.00 0.53 0.02 -1.26 -4.84 114.94 115.67 1s4x s ASN 49 Ca 0.00 1.96 0.00 0.00 -1.02 0.00 0.00 52.86 53.80 1s4x s ASN 49 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1s4x s ASN 49 CO 0.00 -0.82 0.84 -0.81 0.02 0.00 0.00 177.10 176.32 1s4x n PRO 50 N -0.97 0.00 -0.30 -0.60 -0.04 -1.26 -1.66 135.00 130.17 1s4x n PRO 50 Ca 0.09 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.92 1s4x n PRO 50 Cb 0.52 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1s4x n PRO 50 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1s4x h LEU 51 N 0.00 -0.87 -1.24 1.53 7.12 -1.88 3.04 115.31 123.01 1s4x h LEU 51 Ca 0.00 0.26 0.19 0.00 0.13 0.00 0.00 57.88 58.46 1s4x h LEU 51 Cb 0.22 0.55 -0.09 0.00 -0.53 0.00 0.00 40.66 40.81 1s4x h LEU 51 CO 0.00 -0.28 0.61 0.10 -0.13 0.00 0.00 178.44 178.74 1s4x h TYR 52 N -0.01 0.83 0.00 1.25 -0.00 -1.60 2.41 116.97 119.85 1s4x h TYR 52 Ca 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 59.13 1s4x h TYR 52 Cb 0.61 -0.25 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1s4x h TYR 52 CO -0.68 0.21 -0.40 -0.22 -0.00 0.00 0.00 178.16 177.08 1s4x h LYS 53 N 0.62 0.00 0.10 0.10 3.11 0.45 -3.26 116.57 117.70 1s4x h LYS 53 Ca 0.52 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 58.09 1s4x h LYS 53 Cb 0.99 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 1s4x h LYS 53 CO -0.28 0.05 -1.27 0.93 -2.81 0.00 0.00 179.45 176.07 1s4x h GLU 54 N 0.00 0.21 -0.79 1.90 5.08 1.49 -2.73 114.58 119.74 1s4x h GLU 54 Ca -0.01 -0.36 0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1s4x h GLU 54 Cb 1.05 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1s4x h GLU 54 CO 0.01 1.14 0.53 0.00 -1.00 0.00 0.00 179.01 179.68 1s4x h ALA 55 N 0.65 2.09 0.11 3.43 0.00 0.17 0.40 119.26 126.12 1s4x h ALA 55 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1s4x h ALA 55 Cb 1.95 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1s4x h ALA 55 CO 0.18 -0.31 -1.25 1.79 0.00 0.00 0.00 179.25 179.66 1s4x h THR 56 N 0.45 1.48 0.00 0.00 1.35 -1.67 -2.99 112.91 111.54 1s4x h THR 56 Ca 0.39 -3.07 -0.01 0.00 -0.55 0.00 0.00 66.41 63.17 1s4x h THR 56 Cb 0.88 2.92 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1s4x h THR 56 CO -0.14 0.89 -0.03 -1.28 -0.25 0.00 0.00 175.52 174.72 1s4x h SER 57 N 0.07 0.00 0.00 5.36 0.87 -0.09 -1.16 113.55 118.60 1s4x h SER 57 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1s4x h SER 57 Cb 1.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1s4x h SER 57 CO 0.19 0.03 0.45 0.74 -0.53 0.00 0.00 176.83 177.70 1s4x h THR 58 N 0.00 0.00 0.03 2.23 2.02 -0.33 2.49 112.91 119.36 1s4x h THR 58 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1s4x h THR 58 Cb 0.17 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1s4x h THR 58 CO 0.00 0.00 -0.38 0.15 0.37 0.00 0.00 175.52 175.66 1s4x h PHE 59 N 0.00 0.12 0.00 3.16 3.04 -1.42 -3.34 116.94 118.50 1s4x h PHE 59 Ca 0.00 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.80 1s4x h PHE 59 Cb 0.89 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1s4x h PHE 59 CO 0.00 1.15 -0.46 1.15 -2.02 0.00 0.00 178.31 178.13 1s4x h THR 60 N -0.86 0.43 0.00 4.41 2.02 -0.23 -3.22 112.91 115.46 1s4x h THR 60 Ca -0.09 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1s4x h THR 60 Cb 1.19 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1s4x h THR 60 CO 0.00 0.24 0.05 -3.20 0.37 0.00 0.00 175.52 172.98 1s4x n ASN 61 N -3.09 0.00 -0.01 4.18 2.85 0.79 0.28 115.26 120.26 1s4x n ASN 61 Ca 0.01 0.35 0.09 0.00 -0.11 0.00 0.00 54.58 54.93 1s4x n ASN 61 Cb 0.65 -0.35 -0.13 0.00 1.24 0.00 0.00 39.78 41.18 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 -1.34 0.00 0.13 -1.44 5.41 -1.21 -4.28 119.36 116.63 1s4x n ILE 62 Ca 0.00 -0.30 0.03 0.00 1.00 0.00 0.00 62.75 63.49 1s4x n ILE 62 Cb 0.05 0.42 -0.05 0.00 -0.71 0.00 0.00 39.64 39.34 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 -1.90 0.00 0.00 1.39 -1.04 0.27 -4.51 114.28 108.50 1s4x n THR 63 Ca -0.01 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1s4x n THR 63 Cb 0.43 0.61 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 -1.51 0.00 0.39 -1.42 4.11 0.80 -1.48 117.16 118.05 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 -0.24 0.16 0.00 -0.00 0.00 0.00 39.34 39.41 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 -1.20 0.19 -0.74 -3.48 3.00 -1.26 -4.72 116.66 108.44 1s4x n ARG 65 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1s4x n ARG 65 Cb 0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.17 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 -0.57 0.33 0.00 5.14 0.00 -0.55 -5.23 105.19 104.31 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 2.41 0.00 0.00 0.00 173.32 175.73