#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 -1.48 0.14 -0.35 5.85 -2.05 1.22 115.31 118.64 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 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1s4x h LEU 22 CO 0.00 -0.23 -1.70 0.25 -0.34 0.00 0.00 178.44 176.43 1s4x h LEU 23 N -0.14 0.45 -1.53 2.25 5.85 -2.03 -2.16 115.31 118.00 1s4x h LEU 23 Ca 0.09 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1s4x h LEU 23 Cb 0.36 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1s4x h LEU 23 CO -0.57 1.60 0.11 0.40 -0.34 0.00 0.00 178.44 179.65 1s4x h ILE 24 N 0.08 0.00 0.02 4.05 2.04 -1.90 2.07 117.51 123.87 1s4x h ILE 24 Ca -0.31 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.17 1s4x h ILE 24 Cb 2.05 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1s4x h ILE 24 CO 0.15 0.00 -2.35 0.41 0.00 0.00 0.00 178.15 176.37 1s4x n THR 25 N -2.36 1.51 -0.07 -0.27 -1.04 0.42 -4.17 114.28 108.29 1s4x n THR 25 Ca -0.02 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.05 61.20 1s4x n THR 25 Cb 0.15 -1.17 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 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 1.32 0.00 12.58 2.04 0.10 -1.95 117.51 131.62 1s4x h ILE 26 Ca -0.53 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1s4x h ILE 26 Cb 2.02 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 40.66 1s4x h ILE 26 CO -0.02 0.45 0.32 1.57 0.00 0.00 0.00 178.15 180.46 1s4x n HIS 27 N -4.62 0.21 -0.09 1.37 -0.00 0.67 -0.92 115.22 111.84 1s4x n HIS 27 Ca -0.11 0.11 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1s4x n HIS 27 Cb 0.41 -0.42 -0.07 0.00 -0.12 0.00 0.00 29.99 29.78 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 -1.66 2.26 0.16 0.26 8.00 -1.22 -4.34 116.55 120.01 1s4x n ASP 28 Ca -0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1s4x n ASP 28 Cb 0.33 -0.35 0.31 0.00 -0.02 0.00 0.00 41.12 41.39 1s4x n ASP 28 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1s4x n ARG 29 N -3.24 0.08 0.09 -1.24 1.85 -0.10 -1.01 116.66 113.09 1s4x n ARG 29 Ca -0.32 0.55 -0.13 0.00 -1.00 0.00 0.00 57.85 56.96 1s4x n ARG 29 Cb 0.80 -2.11 -0.06 0.00 -1.05 0.00 0.00 32.46 30.04 1s4x n ARG 29 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1s4x h LYS 30 N 0.00 -0.53 -0.05 2.89 3.64 -1.69 2.77 116.57 123.61 1s4x h LYS 30 Ca 0.00 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1s4x h LYS 30 Cb 0.71 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1s4x h LYS 30 CO 0.00 -0.35 0.02 0.93 -2.27 0.00 0.00 179.45 177.78 1s4x h GLU 31 N -0.55 0.07 -0.03 1.90 4.39 -1.37 0.07 114.58 119.06 1s4x h GLU 31 Ca 0.04 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1s4x h GLU 31 Cb 0.60 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 1s4x h GLU 31 CO -0.23 0.22 -0.36 0.35 -1.16 0.00 0.00 179.01 177.82 1s4x h PHE 32 N -0.09 -1.01 -0.05 4.33 3.57 -1.34 0.82 116.94 123.17 1s4x h PHE 32 Ca 0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1s4x h PHE 32 Cb 0.17 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1s4x h PHE 32 CO -0.02 -0.45 0.14 0.00 -2.23 0.00 0.00 178.31 175.76 1s4x h ALA 33 N 0.17 1.34 0.00 2.41 0.00 0.51 -1.02 119.26 122.66 1s4x h ALA 33 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s4x h ALA 33 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s4x h ALA 33 CO -0.31 -0.17 -0.21 -0.22 0.00 0.00 0.00 179.25 178.35 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.11 0.24 -3.30 116.57 116.62 1s4x h LYS 34 Ca 0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1s4x h LYS 34 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 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 -4.23 0.20 -0.27 1.91 3.01 0.21 -1.24 117.46 117.06 1s4x n PHE 35 Ca -0.03 0.11 0.30 0.00 1.01 0.00 0.00 57.45 58.84 1s4x n PHE 35 Cb 0.11 -0.50 0.68 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.10 -0.62 -1.08 4.11 -1.27 0.20 114.58 116.02 1s4x h GLU 36 Ca 0.00 -0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.61 1s4x h GLU 36 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1s4x h GLU 36 CO 0.00 0.07 0.97 1.49 0.07 0.00 0.00 179.01 181.61 1s4x h GLU 37 N 0.10 0.00 0.00 1.06 4.81 -1.41 2.54 114.58 121.68 1s4x h GLU 37 Ca 0.52 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1s4x h GLU 37 Cb 1.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1s4x h GLU 37 CO -0.08 0.00 -0.32 1.49 -0.73 0.00 0.00 179.01 179.38 1s4x h GLU 38 N 0.00 0.00 -0.68 1.92 4.57 -0.86 -3.32 114.58 116.22 1s4x h GLU 38 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1s4x h GLU 38 Cb 2.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.83 1s4x h GLU 38 CO -0.00 0.16 0.00 0.54 -1.18 0.00 0.00 179.01 178.52 1s4x n ARG 39 N -4.67 1.34 0.00 1.92 5.12 0.94 -4.31 116.66 117.00 1s4x n ARG 39 Ca -0.06 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1s4x n ARG 39 Cb 0.20 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1s4x n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s4x n ALA 40 N -0.04 0.60 0.55 7.54 0.00 0.82 0.35 120.51 130.33 1s4x n ALA 40 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1s4x n ALA 40 Cb 0.26 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.44 0.29 0.00 0.00 1.74 -1.26 -4.19 116.66 112.81 1s4x n ARG 41 Ca 0.00 -0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1s4x n ARG 41 Cb 0.00 -1.56 0.15 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.84 1.79 -0.01 7.54 0.00 1.09 0.40 120.51 129.48 1s4x n ALA 42 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1s4x n ALA 42 Cb 0.44 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.80 0.39 -0.62 0.00 2.85 -1.26 -4.65 118.16 114.07 1s4x n LYS 43 Ca 0.04 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1s4x n LYS 43 Cb 0.02 -1.24 -0.00 0.00 -0.65 0.00 0.00 35.03 33.15 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 -1.87 0.00 0.00 5.58 4.27 0.02 -5.00 117.44 120.44 1s4x n TRP 44 Ca -0.02 -0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1s4x n TRP 44 Cb 0.29 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 0.00 0.00 -0.67 8.00 0.91 -4.89 116.55 119.94 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 0.68 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 -1.55 0.00 -0.09 -3.53 5.66 1.33 -4.31 114.28 111.79 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 1.68 0.00 1.79 0.00 -1.26 -4.62 120.51 118.09 1s4x n ALA 47 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1s4x n ALA 47 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.24 0.00 -4.85 0.00 0.23 -1.26 -4.05 115.26 102.10 1s4x n ASN 48 Ca -0.32 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.41 1s4x n ASN 48 Cb 0.81 0.00 -0.05 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 -2.56 6.69 0.20 0.53 3.84 -1.26 -4.86 114.94 117.52 1s4x s ASN 49 Ca 0.00 1.46 0.05 0.00 0.21 0.00 0.00 52.86 54.57 1s4x s ASN 49 Cb 0.00 -2.45 0.25 0.00 -0.55 0.00 0.00 41.25 38.49 1s4x s ASN 49 CO 0.00 -0.44 0.91 -2.65 -2.79 0.00 0.00 177.10 172.13 1s4x n PRO 50 N -1.13 0.04 -0.27 0.43 -0.02 -1.26 -1.99 135.00 130.79 1s4x n PRO 50 Ca 0.05 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1s4x n PRO 50 Cb 0.54 -2.04 0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.63 -0.39 -0.26 2.45 -0.00 -1.26 0.41 117.00 116.34 1s4x n LEU 51 Ca -0.00 1.27 0.01 0.00 -0.00 0.00 0.00 56.01 57.29 1s4x n LEU 51 Cb 0.44 -0.33 0.13 0.00 -0.00 0.00 0.00 43.42 43.66 1s4x n LEU 51 CO 0.02 -1.18 1.10 0.22 -0.00 0.00 0.00 177.39 177.55 1s4x h TYR 52 N 0.00 0.72 0.00 1.96 3.20 -1.59 2.86 116.97 124.13 1s4x h TYR 52 Ca 0.30 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 1s4x h TYR 52 Cb 0.48 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1s4x h TYR 52 CO -0.61 0.30 -0.95 -0.22 -1.64 0.00 0.00 178.16 175.04 1s4x h LYS 53 N 0.69 0.00 0.00 1.82 1.63 0.48 -3.32 116.57 117.88 1s4x h LYS 53 Ca 0.35 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1s4x h LYS 53 Cb 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1s4x h LYS 53 CO -0.23 0.25 -0.90 0.93 -3.45 0.00 0.00 179.45 176.04 1s4x h GLU 54 N 0.00 0.00 -0.38 1.90 4.39 1.02 -3.30 114.58 118.20 1s4x h GLU 54 Ca -0.07 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.74 1s4x h GLU 54 Cb 1.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1s4x h GLU 54 CO 0.04 0.12 0.41 0.00 -1.16 0.00 0.00 179.01 178.42 1s4x h ALA 55 N 1.81 2.08 0.18 3.43 0.00 0.49 0.61 119.26 127.86 1s4x h ALA 55 Ca -0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1s4x h ALA 55 Cb 1.18 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1s4x h ALA 55 CO 0.02 -0.61 -1.41 1.79 0.00 0.00 0.00 179.25 179.04 1s4x h THR 56 N 0.00 1.33 0.00 0.00 1.35 -1.78 -3.10 112.91 110.71 1s4x h THR 56 Ca 0.18 -2.86 -0.02 0.00 -0.55 0.00 0.00 66.41 63.17 1s4x h THR 56 Cb 1.00 2.95 -0.00 0.00 -1.73 0.00 0.00 68.15 70.37 1s4x h THR 56 CO -0.00 0.85 -0.08 -1.28 -0.25 0.00 0.00 175.52 174.76 1s4x h SER 57 N 0.10 0.00 0.00 5.36 0.87 -0.06 -0.98 113.55 118.85 1s4x h SER 57 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1s4x h SER 57 Cb 2.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1s4x h SER 57 CO 0.22 0.08 0.08 0.74 -0.53 0.00 0.00 176.83 177.42 1s4x h THR 58 N 0.00 0.00 -0.05 2.23 2.02 -0.75 0.93 112.91 117.29 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 0.38 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1s4x h THR 58 CO 0.01 0.00 -0.12 0.15 0.37 0.00 0.00 175.52 175.93 1s4x h PHE 59 N 0.00 0.22 0.00 3.16 3.04 -1.33 -3.10 116.94 118.93 1s4x h PHE 59 Ca 0.00 -0.08 -0.05 0.00 3.98 0.00 0.00 57.97 61.82 1s4x h PHE 59 Cb 0.16 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1s4x h PHE 59 CO 0.00 0.72 -0.25 1.15 -2.02 0.00 0.00 178.31 177.91 1s4x h THR 60 N -0.34 0.55 0.00 4.41 2.02 -1.22 -2.76 112.91 115.56 1s4x h THR 60 Ca 0.00 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1s4x h THR 60 Cb 0.71 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1s4x h THR 60 CO 0.03 0.25 0.00 -3.20 0.37 0.00 0.00 175.52 172.96 1s4x n ASN 61 N -3.33 0.05 -0.03 4.18 5.15 0.15 0.26 115.26 121.70 1s4x n ASN 61 Ca 0.01 0.52 0.04 0.00 -0.60 0.00 0.00 54.58 54.55 1s4x n ASN 61 Cb 0.49 -0.53 -0.14 0.00 -0.53 0.00 0.00 39.78 39.07 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 -1.57 0.34 0.44 -1.44 5.41 -1.04 -4.24 119.36 117.25 1s4x n ILE 62 Ca 0.00 -0.49 0.11 0.00 1.00 0.00 0.00 62.75 63.37 1s4x n ILE 62 Cb 0.03 -0.10 -0.11 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.26 0.05 0.00 1.39 -1.04 0.34 -4.19 114.28 108.56 1s4x n THR 63 Ca -0.10 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1s4x n THR 63 Cb 0.63 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 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 -1.96 0.00 0.26 -1.42 4.11 0.74 0.51 117.16 119.39 1s4x n TYR 64 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.90 58.06 1s4x n TYR 64 Cb 0.46 -0.26 0.55 0.00 -0.00 0.00 0.00 39.34 40.09 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 -0.98 -3.48 2.43 -1.82 -3.00 114.38 107.54 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 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1s4x h ARG 65 CO 0.00 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 1s4x n GLY 66 N 0.31 1.18 0.00 2.80 0.00 0.18 -5.22 105.19 104.44 1s4x n GLY 66 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1s4x n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95