#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 -1.63 0.05 -0.35 5.85 -2.05 1.50 115.31 118.69 1s4x h LEU 22 Ca 0.00 0.24 -0.29 0.00 0.84 0.00 0.00 57.88 58.67 1s4x h LEU 22 Cb 0.00 0.70 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1s4x h LEU 22 CO 0.00 -0.22 -1.55 0.25 -0.34 0.00 0.00 178.44 176.58 1s4x h LEU 23 N -0.09 0.17 -1.01 2.25 5.85 -2.03 -2.38 115.31 118.06 1s4x h LEU 23 Ca 0.10 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1s4x h LEU 23 Cb 0.36 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1s4x h LEU 23 CO -0.65 1.23 0.00 -0.38 -0.34 0.00 0.00 178.44 178.30 1s4x n ILE 24 N -3.28 1.05 -0.11 4.05 2.08 -0.94 -0.37 119.36 121.84 1s4x n ILE 24 Ca -0.15 0.53 -0.17 0.00 0.56 0.00 0.00 62.75 63.51 1s4x n ILE 24 Cb 1.03 -1.49 -0.13 0.00 -0.75 0.00 0.00 39.64 38.30 1s4x n ILE 24 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1s4x n THR 25 N -2.16 1.52 0.00 1.39 -1.04 0.51 -3.99 114.28 110.51 1s4x n THR 25 Ca 0.00 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.05 61.29 1s4x n THR 25 Cb 0.10 -1.34 -0.08 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.05 0.00 12.58 5.03 -0.84 -2.41 117.51 132.92 1s4x h ILE 26 Ca -0.55 -1.43 0.00 0.00 -0.12 0.00 0.00 64.86 62.76 1s4x h ILE 26 Cb 1.96 1.84 0.00 0.00 -3.03 0.00 0.00 36.82 37.59 1s4x h ILE 26 CO -0.05 0.30 0.08 1.57 -0.68 0.00 0.00 178.15 179.37 1s4x n HIS 27 N -4.82 0.23 -0.11 1.37 -0.00 0.50 -1.31 115.22 111.08 1s4x n HIS 27 Ca -0.07 0.12 -0.15 0.00 0.46 0.00 0.00 57.72 58.08 1s4x n HIS 27 Cb 0.29 -0.63 -0.14 0.00 -0.12 0.00 0.00 29.99 29.40 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 -1.71 1.23 0.18 0.26 9.92 -1.16 -4.17 116.55 121.10 1s4x n ASP 28 Ca -0.00 -0.05 0.06 0.00 -0.53 0.00 0.00 54.79 54.27 1s4x n ASP 28 Cb 0.09 0.09 0.34 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.55 -1.24 0.11 -0.68 -0.33 114.38 111.69 1s4x h ARG 29 Ca -0.55 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.63 1s4x h ARG 29 Cb 2.04 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 33.04 1s4x h ARG 29 CO -0.03 0.00 0.07 -0.22 0.10 0.00 0.00 179.97 179.89 1s4x h LYS 30 N 0.00 0.19 0.10 0.08 3.64 -1.72 2.17 116.57 121.03 1s4x h LYS 30 Ca 0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1s4x h LYS 30 Cb 0.73 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1s4x h LYS 30 CO 0.00 0.12 -0.84 0.93 -2.27 0.00 0.00 179.45 177.39 1s4x h GLU 31 N 0.19 0.21 -0.95 1.90 5.08 -1.36 -2.76 114.58 116.89 1s4x h GLU 31 Ca 0.28 -0.36 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1s4x h GLU 31 Cb 0.42 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 1s4x h GLU 31 CO -0.40 1.17 0.58 0.35 -1.00 0.00 0.00 179.01 179.71 1s4x h PHE 32 N -0.52 1.07 0.00 4.33 3.04 -1.37 0.57 116.94 124.06 1s4x h PHE 32 Ca -0.17 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.78 1s4x h PHE 32 Cb 1.53 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 1s4x h PHE 32 CO 0.19 0.45 -0.15 0.00 -2.02 0.00 0.00 178.31 176.78 1s4x h ALA 33 N 1.50 1.03 0.00 2.41 0.00 0.35 -2.51 119.26 122.04 1s4x h ALA 33 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1s4x h ALA 33 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1s4x h ALA 33 CO -0.24 0.19 -0.20 -0.22 0.00 0.00 0.00 179.25 178.78 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.11 0.21 -3.30 116.57 116.59 1s4x h LYS 34 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1s4x h LYS 34 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1s4x h LYS 34 CO 0.02 0.00 0.20 1.19 -2.81 0.00 0.00 179.45 178.05 1s4x n PHE 35 N -4.16 0.19 -0.31 1.91 3.72 0.12 -1.70 117.46 117.23 1s4x n PHE 35 Ca -0.03 0.10 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 1s4x n PHE 35 Cb 0.10 -0.48 0.30 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.48 -0.46 -1.08 4.11 -1.53 0.23 114.58 116.33 1s4x h GLU 36 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.36 59.49 1s4x h GLU 36 Cb 0.40 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1s4x h GLU 36 CO 0.00 0.32 0.32 1.49 0.07 0.00 0.00 179.01 181.20 1s4x h GLU 37 N 0.49 0.21 0.26 1.06 4.81 -1.56 2.70 114.58 122.55 1s4x h GLU 37 Ca 0.55 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1s4x h GLU 37 Cb 1.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1s4x h GLU 37 CO -0.48 0.14 -0.13 0.93 -0.73 0.00 0.00 179.01 178.74 1s4x h GLU 38 N 0.22 -0.34 -0.67 1.92 4.39 -0.77 -3.34 114.58 115.99 1s4x h GLU 38 Ca 0.21 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1s4x h GLU 38 Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1s4x h GLU 38 CO -0.04 -0.12 0.00 2.89 -1.16 0.00 0.00 179.01 180.58 1s4x n ARG 39 N -5.01 3.48 0.00 2.33 1.85 -1.13 -4.78 116.66 113.39 1s4x n ARG 39 Ca -0.06 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 54.04 1s4x n ARG 39 Cb 0.19 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 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 1.21 0.00 0.27 2.89 0.00 0.90 -1.10 120.51 124.69 1s4x n ALA 40 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 1s4x n ALA 40 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.28 0.00 1.74 -1.26 -4.22 116.66 113.13 1s4x n ARG 41 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1s4x n ARG 41 Cb 0.00 -1.70 0.16 0.00 -1.02 0.00 0.00 32.46 29.91 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 2.21 1.13 -0.00 7.54 0.00 -1.37 5.68 119.26 134.45 1s4x h ALA 42 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s4x h ALA 42 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s4x h ALA 42 CO 0.00 0.05 0.00 1.57 0.00 0.00 0.00 179.25 180.87 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 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 61.04 1s4x h LYS 43 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.61 1s4x h LYS 43 CO -0.26 0.00 -0.27 -2.67 -0.00 0.00 0.00 179.45 176.25 1s4x n TRP 44 N -3.38 0.00 0.02 0.07 4.27 0.48 -5.00 117.44 113.89 1s4x n TRP 44 Ca -0.03 -0.01 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 1s4x n TRP 44 Cb 0.08 0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 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 -0.32 0.00 -0.67 8.00 1.63 -4.90 116.55 120.30 1s4x n ASP 45 Ca -0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1s4x n ASP 45 Cb 0.61 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.12 0.00 -0.07 -3.53 5.66 0.98 -4.16 114.28 111.03 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 1.69 0.00 1.79 0.00 -1.26 -4.63 120.51 118.10 1s4x n ALA 47 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1s4x n ALA 47 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.97 0.00 -4.45 0.00 0.23 -1.26 -3.77 115.26 103.04 1s4x n ASN 48 Ca -0.27 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.50 1s4x n ASN 48 Cb 0.78 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.36 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 -3.47 3.64 0.00 0.53 2.47 -1.26 -4.95 114.94 111.90 1s4x s ASN 49 Ca 0.00 -0.67 0.00 0.00 0.42 0.00 0.00 52.86 52.61 1s4x s ASN 49 Cb 0.00 -0.40 0.00 0.00 -1.45 0.00 0.00 41.25 39.40 1s4x s ASN 49 CO 0.00 0.17 0.51 -2.65 -3.72 0.00 0.00 177.10 171.41 1s4x n PRO 50 N 0.74 0.00 -0.34 0.43 -0.02 -1.25 -1.97 135.00 132.59 1s4x n PRO 50 Ca -0.16 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1s4x n PRO 50 Cb 0.53 -1.86 0.05 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.54 -0.25 2.45 -0.00 -1.26 0.31 117.00 116.69 1s4x n LEU 51 Ca 0.00 1.55 0.08 0.00 -0.00 0.00 0.00 56.01 57.64 1s4x n LEU 51 Cb 0.36 -0.37 0.33 0.00 -0.00 0.00 0.00 43.42 43.74 1s4x n LEU 51 CO 0.00 -1.41 1.23 0.10 -0.00 0.00 0.00 177.39 177.31 1s4x h TYR 52 N 0.00 0.87 0.00 1.96 -0.00 -1.58 2.99 116.97 121.21 1s4x h TYR 52 Ca 0.33 0.02 -0.07 0.00 -0.00 0.00 0.00 58.73 59.01 1s4x h TYR 52 Cb 0.55 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 1s4x h TYR 52 CO -0.77 0.40 -0.63 -0.22 -0.00 0.00 0.00 178.16 176.95 1s4x h LYS 53 N 0.81 0.00 0.00 0.10 3.11 0.45 -3.26 116.57 117.78 1s4x h LYS 53 Ca 0.39 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 58.14 1s4x h LYS 53 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1s4x h LYS 53 CO -0.16 0.23 -1.00 0.93 -2.81 0.00 0.00 179.45 176.64 1s4x h GLU 54 N 0.00 0.00 -0.36 1.90 4.39 0.98 -3.31 114.58 118.18 1s4x h GLU 54 Ca -0.03 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.77 1s4x h GLU 54 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1s4x h GLU 54 CO 0.03 0.23 0.30 0.00 -1.16 0.00 0.00 179.01 178.41 1s4x h ALA 55 N 1.64 2.19 0.11 3.43 0.00 0.50 0.36 119.26 127.49 1s4x h ALA 55 Ca -0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1s4x h ALA 55 Cb 1.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1s4x h ALA 55 CO 0.03 -0.48 -1.23 1.79 0.00 0.00 0.00 179.25 179.36 1s4x h THR 56 N 0.00 1.50 0.00 0.00 1.35 -1.73 -3.05 112.91 110.97 1s4x h THR 56 Ca 0.17 -3.10 -0.03 0.00 -0.55 0.00 0.00 66.41 62.90 1s4x h THR 56 Cb 0.76 2.91 -0.00 0.00 -1.73 0.00 0.00 68.15 70.09 1s4x h THR 56 CO -0.00 0.90 -0.15 0.77 -0.25 0.00 0.00 175.52 176.78 1s4x h SER 57 N 0.06 0.00 0.22 5.36 4.64 -0.60 -1.71 113.55 121.53 1s4x h SER 57 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1s4x h SER 57 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1s4x h SER 57 CO 0.19 0.15 0.00 0.74 -0.87 0.00 0.00 176.83 177.04 1s4x h THR 58 N 0.00 0.00 0.04 2.95 2.02 -0.46 1.19 112.91 118.64 1s4x h THR 58 Ca -0.00 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 1s4x h THR 58 Cb 0.66 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1s4x h THR 58 CO 0.02 0.00 -0.54 0.15 0.37 0.00 0.00 175.52 175.52 1s4x h PHE 59 N 0.00 0.15 0.00 3.16 3.57 -1.43 -3.34 116.94 119.05 1s4x h PHE 59 Ca 0.00 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1s4x h PHE 59 Cb 0.11 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1s4x h PHE 59 CO 0.00 1.21 -0.31 1.15 -2.23 0.00 0.00 178.31 178.13 1s4x h THR 60 N -0.81 0.54 0.00 4.41 2.02 -1.44 -3.09 112.91 114.55 1s4x h THR 60 Ca -0.12 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1s4x h THR 60 Cb 1.26 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1s4x h THR 60 CO -0.01 0.31 0.00 -3.20 0.37 0.00 0.00 175.52 172.99 1s4x n ASN 61 N -3.19 0.00 -0.01 4.18 5.15 0.40 0.28 115.26 122.07 1s4x n ASN 61 Ca 0.03 0.49 0.09 0.00 -0.60 0.00 0.00 54.58 54.59 1s4x n ASN 61 Cb 0.65 -0.49 -0.14 0.00 -0.53 0.00 0.00 39.78 39.26 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 -1.49 0.00 0.33 -1.44 5.41 -1.17 -4.26 119.36 116.73 1s4x n ILE 62 Ca 0.01 -0.41 0.08 0.00 1.00 0.00 0.00 62.75 63.43 1s4x n ILE 62 Cb 0.04 0.11 -0.11 0.00 -0.71 0.00 0.00 39.64 38.97 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 -2.11 0.00 0.00 1.39 -1.04 0.56 -4.38 114.28 108.70 1s4x n THR 63 Ca -0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1s4x n THR 63 Cb 0.47 0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 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 -1.76 0.00 0.42 -1.42 4.11 0.80 -0.05 117.16 119.26 1s4x n TYR 64 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.97 1s4x n TYR 64 Cb 0.35 -0.24 0.33 0.00 -0.00 0.00 0.00 39.34 39.79 1s4x n TYR 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1s4x n ARG 65 N -1.23 0.05 0.00 -3.48 1.74 -1.26 -2.49 116.66 109.99 1s4x n ARG 65 Ca 0.00 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1s4x n ARG 65 Cb 0.25 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4x n GLY 66 N -0.17 0.14 3.33 -0.13 0.00 0.93 -5.23 105.19 104.06 1s4x n GLY 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73