#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4n s THR 2 N 0.00 -0.65 -0.05 0.00 2.01 -1.26 -3.84 115.64 111.85 1n4n s THR 2 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1n4n s THR 2 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1n4n s THR 2 CO 0.00 -0.03 -0.06 0.00 -0.69 0.00 0.00 174.62 173.83 1n4n s LYS 4 N -1.01 0.50 -0.15 0.00 -2.85 -1.25 -0.49 119.74 114.48 1n4n s LYS 4 Ca 0.14 0.37 -0.30 0.00 -1.00 0.00 0.00 55.97 55.18 1n4n s LYS 4 Cb -0.11 0.24 0.11 0.00 -2.06 0.00 0.00 37.83 36.01 1n4n s LYS 4 CO 0.03 -0.08 0.91 0.00 0.10 0.00 0.00 175.35 176.31 1n4n s ALA 5 N -0.14 -1.89 0.37 0.59 0.00 -0.20 -4.93 121.76 115.55 1n4n s ALA 5 Ca -0.03 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 1n4n s ALA 5 Cb -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 23.12 22.34 1n4n s ALA 5 CO 0.01 -0.32 1.49 -1.21 0.00 0.00 0.00 175.76 175.74 1n4n s GLU 6 N -0.92 4.12 0.03 0.00 8.01 -1.26 -0.31 118.70 128.38 1n4n s GLU 6 Ca -0.03 2.57 -0.34 0.00 0.01 0.00 0.00 54.97 57.18 1n4n s GLU 6 Cb -0.01 -2.97 -0.12 0.00 -4.31 0.00 0.00 34.13 26.71 1n4n s GLU 6 CO 0.03 -0.53 1.77 0.00 0.01 0.00 0.00 175.26 176.53 1n4n h PRO 8 N 7.95 0.82 -1.83 0.00 0.11 -1.92 -1.60 132.00 135.53 1n4n h PRO 8 Ca -0.47 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.07 1n4n h PRO 8 Cb 1.26 -0.19 -0.19 0.00 0.11 0.00 0.00 31.00 31.99 1n4n h PRO 8 CO 0.93 0.54 0.54 0.25 -0.21 0.00 0.00 178.00 180.05 1n4n n THR 9 N -4.70 3.29 -3.70 -1.15 -2.24 -1.26 -4.85 114.28 99.68 1n4n n THR 9 Ca 0.21 -2.95 -0.14 0.00 -2.27 0.00 0.00 64.05 58.91 1n4n n THR 9 Cb 0.49 -1.45 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 1n4n n THR 9 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1n4n s TRP 10 N -2.28 -0.31 -0.42 4.78 -0.11 -0.60 -5.04 118.94 114.94 1n4n s TRP 10 Ca 0.53 0.78 0.08 0.00 1.22 0.00 0.00 56.10 58.71 1n4n s TRP 10 Cb 0.38 -0.05 0.31 0.00 -1.50 0.00 0.00 33.47 32.61 1n4n s TRP 10 CO -0.20 -0.27 0.88 -3.47 -4.62 0.00 0.00 176.95 169.28 1n4n n ASP 11 N 4.78 -1.02 -3.88 5.86 2.03 -1.26 -4.83 116.55 118.22 1n4n n ASP 11 Ca -0.16 -3.29 -0.09 0.00 0.52 0.00 0.00 54.79 51.77 1n4n n ASP 11 Cb 0.51 0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 41.61 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1n4n s SER 12 N -1.72 -0.08 -0.22 1.67 0.01 -1.26 -5.13 113.70 106.97 1n4n s SER 12 Ca 0.31 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 1n4n s SER 12 Cb 0.29 0.64 -0.00 0.00 0.21 0.00 0.00 66.02 67.16 1n4n s SER 12 CO -0.09 -1.22 1.17 -0.69 0.41 0.00 0.00 173.24 172.82 1n4n s VAL 13 N -3.87 4.42 -0.71 3.43 1.01 -1.26 -4.57 120.40 118.84 1n4n s VAL 13 Ca 0.20 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1n4n s VAL 13 Cb -0.02 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1n4n s VAL 13 CO 0.09 -0.24 1.52 0.00 0.00 0.00 0.00 175.10 176.47 1n4n n ILE 15 N 6.75 1.52 -3.91 0.00 5.41 -1.26 -4.87 119.36 123.00 1n4n n ILE 15 Ca 0.12 -0.16 -0.36 0.00 1.00 0.00 0.00 62.75 63.34 1n4n n ILE 15 Cb 0.50 -2.06 -0.06 0.00 -0.71 0.00 0.00 39.64 37.31 1n4n n ILE 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1n4n s ASN 16 N -6.89 6.32 0.25 4.38 3.84 -1.26 -5.01 114.94 116.57 1n4n s ASN 16 Ca -0.33 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1n4n s ASN 16 Cb 0.10 -2.03 0.32 0.00 -0.55 0.00 0.00 41.25 39.09 1n4n s ASN 16 CO 0.47 0.39 1.67 0.50 -2.79 0.00 0.00 177.10 177.35 1n4n h LYS 17 N 4.86 0.57 -0.15 0.43 3.64 -1.95 -3.30 116.57 120.66 1n4n h LYS 17 Ca -0.54 -0.23 0.05 0.00 -1.27 0.00 0.00 60.65 58.65 1n4n h LYS 17 Cb 1.22 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1n4n h LYS 17 CO 0.59 0.79 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.97 1n4n h LYS 18 N 0.50 -0.41 -0.77 1.90 3.64 -1.94 0.35 116.57 119.84 1n4n h LYS 18 Ca 0.07 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1n4n h LYS 18 Cb 0.73 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.56 1n4n h LYS 18 CO 0.06 -0.27 0.36 -1.35 -2.27 0.00 0.00 179.45 175.97 1n4n h PRO 19 N -0.43 0.53 0.14 1.90 0.11 -2.00 0.94 132.00 133.20 1n4n h PRO 19 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1n4n h PRO 19 Cb 0.58 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1n4n h PRO 19 CO -0.39 0.35 -0.07 0.00 -0.21 0.00 0.00 178.00 177.69 1n4n h VAL 21 N -0.32 1.07 -0.23 0.00 2.07 -0.29 -0.09 116.25 118.45 1n4n h VAL 21 Ca -0.02 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1n4n h VAL 21 Cb 0.26 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1n4n h VAL 21 CO 0.03 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.94 1n4n h ALA 22 N 1.52 0.30 -0.39 1.67 0.00 -0.56 0.31 119.26 122.12 1n4n h ALA 22 Ca 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1n4n h ALA 22 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n4n h ALA 22 CO -0.13 -0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.16 1n4n h LYS 25 N 0.20 0.59 0.00 0.00 1.57 -0.26 0.14 116.57 118.81 1n4n h LYS 25 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1n4n h LYS 25 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1n4n h LYS 25 CO -0.01 0.39 -0.23 1.57 -0.57 0.00 0.00 179.45 180.61 1n4n h LYS 26 N 0.61 0.00 -0.31 3.15 2.10 -1.32 -1.57 116.57 119.23 1n4n h LYS 26 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1n4n h LYS 26 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1n4n h LYS 26 CO -0.04 0.23 0.00 0.00 -2.00 0.00 0.00 179.45 177.64 1n4n n ALA 27 N -2.29 2.45 -2.66 0.07 0.00 -0.51 -4.92 120.51 112.66 1n4n n ALA 27 Ca -0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1n4n n ALA 27 Cb 0.37 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.89 1n4n n ALA 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n4n n LYS 28 N 0.41 -1.77 -4.25 0.00 3.00 -0.59 -5.02 118.16 109.94 1n4n n LYS 28 Ca 0.11 0.56 -0.18 0.00 -0.00 0.00 0.00 58.31 58.79 1n4n n LYS 28 Cb 0.27 -4.33 -0.13 0.00 0.00 0.00 0.00 35.03 30.84 1n4n n LYS 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1n4n s PHE 29 N -3.25 1.12 0.11 5.64 0.40 0.40 -4.99 117.98 117.40 1n4n s PHE 29 Ca 0.26 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 1n4n s PHE 29 Cb -0.03 -0.65 -0.06 0.00 0.51 0.00 0.00 43.02 42.79 1n4n s PHE 29 CO 0.47 0.02 1.65 0.77 0.70 0.00 0.00 175.22 178.84 1n4n h SER 30 N 4.75 0.38 -4.00 1.36 0.02 -1.52 -3.33 113.55 111.21 1n4n h SER 30 Ca -0.38 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1n4n h SER 30 Cb 1.19 -0.10 -0.22 0.00 0.14 0.00 0.00 62.40 63.40 1n4n h SER 30 CO 0.43 0.44 0.31 -0.62 -1.14 0.00 0.00 176.83 176.25 1n4n s ASP 31 N -5.70 -0.57 0.10 3.07 2.15 -0.24 -4.90 116.67 110.58 1n4n s ASP 31 Ca -0.13 0.93 0.05 0.00 0.43 0.00 0.00 52.55 53.83 1n4n s ASP 31 Cb 0.08 0.89 -0.04 0.00 -0.30 0.00 0.00 42.92 43.55 1n4n s ASP 31 CO 0.73 -0.31 0.02 -0.83 -0.17 0.00 0.00 175.17 174.60 1n4n s GLY 32 N -0.27 1.90 -0.04 2.66 0.00 -1.26 0.35 107.32 110.66 1n4n s GLY 32 Ca -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 1n4n s GLY 32 CO 0.01 -1.12 0.10 -2.38 0.00 0.00 0.00 173.10 169.71 1n4n s HIS 33 N -1.41 -0.10 0.30 1.90 -3.43 0.13 -4.41 115.29 108.28 1n4n s HIS 33 Ca 0.27 0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 54.49 1n4n s HIS 33 Cb -0.11 0.03 -0.10 0.00 -1.43 0.00 0.00 32.58 30.97 1n4n s HIS 33 CO 0.19 -0.06 1.27 0.00 -2.00 0.00 0.00 174.74 174.14 1n4n s SER 35 N -0.44 5.10 0.06 0.00 1.04 -0.22 -4.87 113.70 114.37 1n4n s SER 35 Ca 0.49 0.16 0.15 0.00 0.48 0.00 0.00 55.95 57.24 1n4n s SER 35 Cb -0.38 -0.96 -0.14 0.00 0.10 0.00 0.00 66.02 64.64 1n4n s SER 35 CO 0.48 -1.31 0.86 0.50 0.98 0.00 0.00 173.24 174.75 1n4n h LYS 36 N -0.18 0.00 0.00 4.02 3.64 -1.94 -3.33 116.57 118.77 1n4n h LYS 36 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1n4n h LYS 36 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1n4n h LYS 36 CO 0.55 0.37 0.00 -0.89 -2.27 0.00 0.00 179.45 177.21 1n4n n ILE 37 N -2.96 0.00 1.57 2.00 5.41 -1.26 -4.46 119.36 119.66 1n4n n ILE 37 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1n4n n ILE 37 Cb 0.88 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1n4n n ILE 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1n4n n LEU 38 N 0.00 0.20 -2.49 1.39 7.94 -1.26 -4.81 117.00 117.96 1n4n n LEU 38 Ca 0.00 -0.10 -0.20 0.00 -1.11 0.00 0.00 56.01 54.60 1n4n n LEU 38 Cb 0.00 -0.10 -0.00 0.00 0.53 0.00 0.00 43.42 43.85 1n4n n LEU 38 CO 0.00 0.05 -0.22 -1.14 -1.11 0.00 0.00 177.39 174.97 1n4n n ARG 39 N -0.38 -2.14 -2.08 1.96 3.00 -1.25 -4.77 116.66 111.00 1n4n n ARG 39 Ca 0.00 0.95 -0.34 0.00 -0.00 0.00 0.00 57.85 58.46 1n4n n ARG 39 Cb 0.05 -5.64 0.02 0.00 0.00 0.00 0.00 32.46 26.89 1n4n n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1n4n s ARG 40 N -5.14 3.15 -0.76 -0.14 0.52 -1.26 -0.75 118.95 114.57 1n4n s ARG 40 Ca 0.04 1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 56.53 1n4n s ARG 40 Cb -0.02 -1.98 0.05 0.00 0.52 0.00 0.00 34.95 33.51 1n4n s ARG 40 CO 0.05 -0.99 1.22 0.00 0.02 0.00 0.00 175.30 175.59 1n4n s LEU 42 N 5.13 4.06 -0.12 0.00 1.02 0.19 -0.97 118.68 128.00 1n4n s LEU 42 Ca 0.33 0.79 -0.19 0.00 0.02 0.00 0.00 54.13 55.08 1n4n s LEU 42 Cb -0.09 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.89 1n4n s LEU 42 CO 0.10 -0.66 0.51 0.00 0.02 0.00 0.00 176.35 176.31 1n4n s THR 44 N 0.71 2.95 0.25 0.00 -4.23 0.16 -1.04 115.64 114.43 1n4n s THR 44 Ca 0.27 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1n4n s THR 44 Cb -0.15 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.44 1n4n s THR 44 CO 0.11 0.28 0.80 -1.59 -0.54 0.00 0.00 174.62 173.68 1n4n s LYS 45 N -1.65 1.65 0.47 3.99 -2.85 0.35 -1.08 119.74 120.62 1n4n s LYS 45 Ca 0.16 -0.94 -0.20 0.00 -1.00 0.00 0.00 55.97 54.00 1n4n s LYS 45 Cb -0.11 0.55 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 1n4n s LYS 45 CO 0.07 -0.76 0.98 -1.83 0.10 0.00 0.00 175.35 173.92 1n4n s GLU 46 N -3.53 4.01 0.00 1.78 -1.05 -1.26 -0.81 118.70 117.85 1n4n s GLU 46 Ca 0.12 1.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.09 1n4n s GLU 46 Cb -0.05 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1n4n s GLU 46 CO 0.06 -0.22 0.00 0.00 0.95 0.00 0.00 175.26 176.05