#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 -0.46 0.01 0.00 2.01 -1.26 -2.82 115.64 113.13 1n4n s THR 2 Ca 0.00 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1n4n s THR 2 Cb 0.00 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 1n4n s THR 2 CO 0.00 -0.11 0.50 0.00 -0.69 0.00 0.00 174.62 174.32 1n4n s LYS 4 N -0.78 0.39 -0.22 0.00 2.20 -1.26 -1.12 119.74 118.95 1n4n s LYS 4 Ca 0.27 0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.68 1n4n s LYS 4 Cb -0.18 -0.58 0.09 0.00 -1.51 0.00 0.00 37.83 35.65 1n4n s LYS 4 CO 0.16 -0.16 0.81 0.00 -0.36 0.00 0.00 175.35 175.80 1n4n s ALA 5 N 1.17 -1.84 0.42 3.13 0.00 -0.18 -4.95 121.76 119.51 1n4n s ALA 5 Ca -0.08 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 53.44 1n4n s ALA 5 Cb -0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 1n4n s ALA 5 CO -0.02 -0.32 1.27 -1.21 0.00 0.00 0.00 175.76 175.49 1n4n s GLU 6 N -0.10 3.88 0.14 0.00 2.02 -1.26 -0.27 118.70 123.10 1n4n s GLU 6 Ca -0.02 2.08 -0.32 0.00 0.02 0.00 0.00 54.97 56.73 1n4n s GLU 6 Cb -0.04 -2.66 -0.12 0.00 0.10 0.00 0.00 34.13 31.42 1n4n s GLU 6 CO 0.01 -0.54 1.78 0.00 0.02 0.00 0.00 175.26 176.53 1n4n h PRO 8 N 7.76 1.13 -2.01 0.00 0.11 -1.92 -2.79 132.00 134.29 1n4n h PRO 8 Ca -0.45 -0.07 -0.40 0.00 0.11 0.00 0.00 66.00 65.18 1n4n h PRO 8 Cb 1.22 -0.26 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 1n4n h PRO 8 CO 0.94 0.75 0.16 0.25 -0.21 0.00 0.00 178.00 179.89 1n4n n THR 9 N -4.50 3.23 -3.65 -1.15 -2.24 -1.26 -4.80 114.28 99.91 1n4n n THR 9 Ca 0.13 -2.53 -0.22 0.00 -2.27 0.00 0.00 64.05 59.16 1n4n n THR 9 Cb 0.13 -1.73 -0.18 0.00 -2.10 0.00 0.00 70.33 66.45 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 -0.84 0.10 0.00 4.78 -0.11 -1.06 -4.98 118.94 116.83 1n4n s TRP 10 Ca 0.62 0.08 0.20 0.00 1.22 0.00 0.00 56.10 58.21 1n4n s TRP 10 Cb 0.36 -0.55 0.33 0.00 -1.50 0.00 0.00 33.47 32.11 1n4n s TRP 10 CO -0.15 -0.29 1.12 -0.40 -4.62 0.00 0.00 176.95 172.61 1n4n n ASP 11 N 5.29 0.59 -4.32 5.86 5.75 -1.26 -4.96 116.55 123.51 1n4n n ASP 11 Ca -0.04 -1.99 -0.17 0.00 -0.01 0.00 0.00 54.79 52.58 1n4n n ASP 11 Cb 0.50 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.29 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1n4n s SER 12 N -1.75 1.86 -0.10 -1.12 0.01 -1.26 -5.12 113.70 106.22 1n4n s SER 12 Ca 0.26 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 1n4n s SER 12 Cb 0.30 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1n4n s SER 12 CO -0.13 -0.46 1.07 -0.69 0.41 0.00 0.00 173.24 173.44 1n4n s VAL 13 N -3.38 4.61 -0.04 3.43 1.01 -1.26 -4.77 120.40 119.99 1n4n s VAL 13 Ca 0.26 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.84 1n4n s VAL 13 Cb 0.05 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1n4n s VAL 13 CO 0.07 -0.01 1.30 0.00 0.00 0.00 0.00 175.10 176.46 1n4n n ILE 15 N 4.72 0.56 -3.72 0.00 2.08 -1.26 -4.91 119.36 116.83 1n4n n ILE 15 Ca 0.12 -0.59 -0.12 0.00 0.56 0.00 0.00 62.75 62.72 1n4n n ILE 15 Cb 0.45 -0.20 -0.07 0.00 -0.75 0.00 0.00 39.64 39.07 1n4n n ILE 15 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1n4n s ASN 16 N -4.70 -0.18 0.43 4.38 3.84 -1.26 -5.04 114.94 112.40 1n4n s ASN 16 Ca -0.08 -0.15 0.12 0.00 0.21 0.00 0.00 52.86 52.97 1n4n s ASN 16 Cb 0.09 0.39 0.92 0.00 -0.55 0.00 0.00 41.25 42.10 1n4n s ASN 16 CO 0.79 -0.65 1.97 0.50 -2.79 0.00 0.00 177.10 176.92 1n4n h LYS 17 N 3.08 0.10 -0.18 0.43 3.64 -1.95 -3.25 116.57 118.46 1n4n h LYS 17 Ca -0.32 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1n4n h LYS 17 Cb 1.20 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1n4n h LYS 17 CO 0.45 0.26 -0.53 -0.22 -2.27 0.00 0.00 179.45 177.14 1n4n h LYS 18 N 0.10 -0.52 -0.84 1.90 1.63 -1.96 -0.56 116.57 116.32 1n4n h LYS 18 Ca 0.02 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.02 1n4n h LYS 18 Cb 0.32 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 31.97 1n4n h LYS 18 CO 0.02 -0.35 0.40 -1.35 -3.45 0.00 0.00 179.45 174.73 1n4n h PRO 19 N -0.54 0.52 0.01 1.90 0.11 -2.00 -1.18 132.00 130.82 1n4n h PRO 19 Ca 0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1n4n h PRO 19 Cb 0.66 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1n4n h PRO 19 CO -0.46 0.34 -0.01 0.00 -0.21 0.00 0.00 178.00 177.67 1n4n h VAL 21 N -0.15 1.10 -0.22 0.00 2.07 -0.41 0.15 116.25 118.78 1n4n h VAL 21 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1n4n h VAL 21 Cb 0.15 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1n4n h VAL 21 CO 0.00 0.20 0.11 0.00 0.02 0.00 0.00 177.57 177.90 1n4n h ALA 22 N 1.48 0.29 -0.19 1.67 0.00 -1.00 0.66 119.26 122.16 1n4n h ALA 22 Ca 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1n4n h ALA 22 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n4n h ALA 22 CO -0.14 -0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.04 1n4n h LYS 25 N 0.78 0.96 0.00 0.00 1.57 -0.72 0.96 116.57 120.12 1n4n h LYS 25 Ca 0.23 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1n4n h LYS 25 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1n4n h LYS 25 CO -0.07 0.90 0.00 1.57 -0.57 0.00 0.00 179.45 181.29 1n4n h LYS 26 N 0.87 0.00 -0.25 3.15 2.10 -0.98 -1.23 116.57 120.23 1n4n h LYS 26 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1n4n h LYS 26 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1n4n h LYS 26 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.46 1n4n n ALA 27 N -1.92 2.47 -2.42 0.07 0.00 -0.19 -4.95 120.51 113.57 1n4n n ALA 27 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1n4n n ALA 27 Cb 0.27 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 0.89 -1.61 -4.20 0.00 4.81 -0.46 -5.03 118.16 112.55 1n4n n LYS 28 Ca 0.17 0.41 -0.18 0.00 -0.87 0.00 0.00 58.31 57.85 1n4n n LYS 28 Cb 0.46 -3.70 -0.12 0.00 0.02 0.00 0.00 35.03 31.69 1n4n n LYS 28 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1n4n s PHE 29 N -3.18 1.11 0.09 5.64 0.40 0.24 -4.99 117.98 117.29 1n4n s PHE 29 Ca 0.16 -0.43 -0.21 0.00 -0.60 0.00 0.00 56.93 55.85 1n4n s PHE 29 Cb -0.02 -0.64 -0.10 0.00 0.51 0.00 0.00 43.02 42.77 1n4n s PHE 29 CO 0.35 0.03 1.66 0.77 0.70 0.00 0.00 175.22 178.73 1n4n h SER 30 N 4.53 0.19 -5.00 1.36 0.02 -1.79 -3.34 113.55 109.52 1n4n h SER 30 Ca -0.39 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.38 1n4n h SER 30 Cb 1.19 -0.05 -0.18 0.00 0.14 0.00 0.00 62.40 63.50 1n4n h SER 30 CO 0.41 0.26 0.17 -0.62 -1.14 0.00 0.00 176.83 175.91 1n4n s ASP 31 N -5.48 -0.62 0.08 3.07 2.15 -0.58 -4.90 116.67 110.39 1n4n s ASP 31 Ca -0.13 0.56 0.09 0.00 0.43 0.00 0.00 52.55 53.50 1n4n s ASP 31 Cb 0.07 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.19 1n4n s ASP 31 CO 0.69 -0.66 -0.24 -0.83 -0.17 0.00 0.00 175.17 173.96 1n4n s GLY 32 N -1.46 1.51 -0.04 2.66 0.00 -1.26 0.03 107.32 108.75 1n4n s GLY 32 Ca -0.09 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1n4n s GLY 32 CO 0.06 -1.25 -0.04 -2.38 0.00 0.00 0.00 173.10 169.49 1n4n s HIS 33 N -0.93 0.73 0.32 1.90 -3.43 0.15 -4.29 115.29 109.73 1n4n s HIS 33 Ca 0.13 -0.20 -0.28 0.00 -0.80 0.00 0.00 55.06 53.92 1n4n s HIS 33 Cb -0.10 -0.66 -0.09 0.00 -1.43 0.00 0.00 32.58 30.30 1n4n s HIS 33 CO 0.04 -0.19 1.07 0.00 -2.00 0.00 0.00 174.74 173.66 1n4n n SER 35 N 0.80 -0.05 -0.08 0.00 3.41 0.36 -4.88 113.62 113.18 1n4n n SER 35 Ca 0.01 -0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.25 1n4n n SER 35 Cb 0.47 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1n4n n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1n4n n LYS 36 N -0.29 0.37 0.00 4.33 4.81 -1.26 -4.36 118.16 121.76 1n4n n LYS 36 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1n4n n LYS 36 Cb 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1n4n n LYS 36 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1n4n n ILE 37 N -3.24 0.00 1.28 3.15 5.41 -1.26 -4.10 119.36 120.60 1n4n n ILE 37 Ca -0.29 0.54 0.07 0.00 1.00 0.00 0.00 62.75 64.07 1n4n n ILE 37 Cb 0.76 -1.48 0.27 0.00 -0.71 0.00 0.00 39.64 38.48 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 -0.07 1.34 -2.58 1.39 7.94 -1.26 -4.88 117.00 118.88 1n4n n LEU 38 Ca 0.00 -0.62 -0.21 0.00 -1.11 0.00 0.00 56.01 54.07 1n4n n LEU 38 Cb 0.00 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.82 1n4n n LEU 38 CO 0.00 0.31 -0.19 0.54 -1.11 0.00 0.00 177.39 176.94 1n4n n ARG 39 N 0.16 -2.60 -1.84 1.96 5.12 -1.26 -4.42 116.66 113.79 1n4n n ARG 39 Ca 0.12 0.99 -0.41 0.00 -1.93 0.00 0.00 57.85 56.61 1n4n n ARG 39 Cb 0.24 -5.71 -0.02 0.00 -1.16 0.00 0.00 32.46 25.82 1n4n n ARG 39 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1n4n s ARG 40 N -5.23 4.16 -0.93 5.56 0.52 -1.26 -3.21 118.95 118.55 1n4n s ARG 40 Ca 0.09 2.51 -0.24 0.00 -0.52 0.00 0.00 55.73 57.57 1n4n s ARG 40 Cb -0.04 -3.03 0.03 0.00 0.52 0.00 0.00 34.95 32.43 1n4n s ARG 40 CO 0.11 -0.56 1.46 0.00 0.02 0.00 0.00 175.30 176.33 1n4n s LEU 42 N 5.73 4.03 0.05 0.00 1.02 0.24 -0.65 118.68 129.10 1n4n s LEU 42 Ca 0.46 1.12 -0.14 0.00 0.02 0.00 0.00 54.13 55.59 1n4n s LEU 42 Cb -0.03 -3.45 -0.06 0.00 0.02 0.00 0.00 46.19 42.67 1n4n s LEU 42 CO -0.02 -0.74 0.43 0.00 0.02 0.00 0.00 176.35 176.05 1n4n s THR 44 N -1.22 1.04 0.17 0.00 -4.23 0.10 -1.01 115.64 110.49 1n4n s THR 44 Ca 0.29 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 59.95 1n4n s THR 44 Cb -0.16 -0.88 0.06 0.00 1.34 0.00 0.00 72.50 72.86 1n4n s THR 44 CO 0.16 0.25 0.68 -1.59 -0.54 0.00 0.00 174.62 173.58 1n4n s LYS 45 N -0.42 1.35 0.39 3.99 -2.85 -0.27 -1.53 119.74 120.40 1n4n s LYS 45 Ca 0.05 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.20 1n4n s LYS 45 Cb -0.05 0.56 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 1n4n s LYS 45 CO -0.00 -0.60 0.98 -1.83 0.10 0.00 0.00 175.35 174.00 1n4n s GLU 46 N -3.70 4.31 0.00 1.78 -1.05 -1.26 0.35 118.70 119.12 1n4n s GLU 46 Ca 0.04 1.32 0.00 0.00 -0.15 0.00 0.00 54.97 56.18 1n4n s GLU 46 Cb -0.02 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1n4n s GLU 46 CO -0.07 0.02 0.00 0.00 0.95 0.00 0.00 175.26 176.16