#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 2.05 -0.02 0.00 2.01 -1.26 -1.02 115.64 117.40 1n4n s THR 2 Ca 0.00 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 60.05 1n4n s THR 2 Cb 0.00 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1n4n s THR 2 CO 0.00 -0.24 0.47 0.00 -0.69 0.00 0.00 174.62 174.16 1n4n s LYS 4 N -0.57 1.23 -0.12 0.00 2.20 -1.25 -0.64 119.74 120.60 1n4n s LYS 4 Ca 0.26 -0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.55 1n4n s LYS 4 Cb -0.17 -1.35 0.04 0.00 -1.51 0.00 0.00 37.83 34.84 1n4n s LYS 4 CO 0.14 -0.24 0.43 0.00 -0.36 0.00 0.00 175.35 175.32 1n4n s ALA 5 N 1.65 -1.08 0.34 3.13 0.00 0.44 -4.92 121.76 121.32 1n4n s ALA 5 Ca 0.02 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1n4n s ALA 5 Cb -0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 1n4n s ALA 5 CO -0.06 -0.24 1.34 -1.21 0.00 0.00 0.00 175.76 175.59 1n4n s GLU 6 N -0.30 4.31 0.04 0.00 2.02 -1.26 -0.10 118.70 123.41 1n4n s GLU 6 Ca -0.04 2.27 -0.35 0.00 0.02 0.00 0.00 54.97 56.87 1n4n s GLU 6 Cb -0.03 -3.05 -0.14 0.00 0.10 0.00 0.00 34.13 31.01 1n4n s GLU 6 CO 0.02 -0.25 1.66 0.00 0.02 0.00 0.00 175.26 176.71 1n4n h PRO 8 N 6.91 0.74 -2.03 0.00 0.11 -1.92 -1.44 132.00 134.36 1n4n h PRO 8 Ca -0.46 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 1n4n h PRO 8 Cb 1.27 -0.17 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 1n4n h PRO 8 CO 0.90 0.49 0.64 0.25 -0.21 0.00 0.00 178.00 180.07 1n4n n THR 9 N -4.75 3.52 -3.66 -1.15 -2.24 -1.26 -4.85 114.28 99.88 1n4n n THR 9 Ca 0.23 -3.39 -0.12 0.00 -2.27 0.00 0.00 64.05 58.50 1n4n n THR 9 Cb 0.58 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.24 -0.72 0.00 4.78 -0.11 -0.55 -5.03 118.94 115.07 1n4n s TRP 10 Ca 0.57 1.69 0.00 0.00 1.22 0.00 0.00 56.10 59.58 1n4n s TRP 10 Cb 0.38 0.29 0.00 0.00 -1.50 0.00 0.00 33.47 32.65 1n4n s TRP 10 CO -0.26 -0.35 0.00 -0.40 -4.62 0.00 0.00 176.95 171.32 1n4n n ASP 11 N 3.09 0.00 -4.14 5.86 5.68 -1.26 -4.78 116.55 121.00 1n4n n ASP 11 Ca -0.15 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.84 1n4n n ASP 11 Cb 0.56 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.75 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1n4n s SER 12 N -0.95 1.99 0.02 -1.12 0.01 -1.26 -4.90 113.70 107.49 1n4n s SER 12 Ca 0.00 0.67 -0.30 0.00 1.31 0.00 0.00 55.95 57.63 1n4n s SER 12 Cb 0.00 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 1n4n s SER 12 CO 0.00 -3.47 1.04 -0.69 0.41 0.00 0.00 173.24 170.53 1n4n s VAL 13 N -3.23 4.64 0.05 3.43 1.01 -1.26 -4.44 120.40 120.59 1n4n s VAL 13 Ca 0.70 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 64.28 1n4n s VAL 13 Cb -0.10 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1n4n s VAL 13 CO 0.55 0.15 1.33 0.00 0.00 0.00 0.00 175.10 177.13 1n4n n ILE 15 N 4.24 0.87 -3.65 0.00 5.41 -1.26 -5.00 119.36 119.96 1n4n n ILE 15 Ca 0.11 -0.72 -0.13 0.00 1.00 0.00 0.00 62.75 63.01 1n4n n ILE 15 Cb 0.44 -0.31 -0.06 0.00 -0.71 0.00 0.00 39.64 39.00 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 -5.15 -0.33 0.22 4.38 3.84 -1.26 -5.06 114.94 111.59 1n4n s ASN 16 Ca -0.09 0.10 -0.07 0.00 0.21 0.00 0.00 52.86 53.00 1n4n s ASN 16 Cb 0.09 0.43 0.19 0.00 -0.55 0.00 0.00 41.25 41.41 1n4n s ASN 16 CO 0.86 -0.64 1.83 0.50 -2.79 0.00 0.00 177.10 176.85 1n4n h LYS 17 N 3.09 1.22 0.01 0.43 1.63 -1.95 -3.25 116.57 117.76 1n4n h LYS 17 Ca -0.31 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.35 1n4n h LYS 17 Cb 1.20 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 1n4n h LYS 17 CO 0.42 0.92 -0.39 -0.22 -3.45 0.00 0.00 179.45 176.73 1n4n h LYS 18 N 1.21 -0.54 -0.86 1.90 3.64 -1.97 -0.38 116.57 119.57 1n4n h LYS 18 Ca 0.30 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.89 1n4n h LYS 18 Cb 0.09 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 1n4n h LYS 18 CO -0.04 -0.36 0.41 -1.35 -2.27 0.00 0.00 179.45 175.84 1n4n h PRO 19 N -0.56 0.51 0.06 1.90 0.11 -2.00 0.61 132.00 132.63 1n4n h PRO 19 Ca 0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1n4n h PRO 19 Cb 0.63 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1n4n h PRO 19 CO -0.30 0.34 -0.03 0.00 -0.21 0.00 0.00 178.00 177.81 1n4n h VAL 21 N -0.25 1.05 -0.31 0.00 2.07 0.01 0.22 116.25 119.04 1n4n h VAL 21 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1n4n h VAL 21 Cb 0.22 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1n4n h VAL 21 CO 0.01 0.21 0.18 0.00 0.02 0.00 0.00 177.57 177.99 1n4n h ALA 22 N 1.46 0.40 -0.28 1.67 0.00 -0.70 0.71 119.26 122.53 1n4n h ALA 22 Ca 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1n4n h ALA 22 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n4n h ALA 22 CO -0.19 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.11 1n4n h LYS 25 N 0.96 0.27 0.00 0.00 1.63 0.70 0.14 116.57 120.27 1n4n h LYS 25 Ca 0.19 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1n4n h LYS 25 Cb 0.44 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1n4n h LYS 25 CO 0.01 0.34 -0.29 1.57 -3.45 0.00 0.00 179.45 177.64 1n4n h LYS 26 N 0.13 0.00 -0.12 1.90 2.10 -1.29 -1.34 116.57 117.95 1n4n h LYS 26 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1n4n h LYS 26 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1n4n h LYS 26 CO -0.00 0.29 0.00 0.00 -2.00 0.00 0.00 179.45 177.73 1n4n n ALA 27 N -2.42 2.52 -2.68 0.07 0.00 -0.76 -4.92 120.51 112.32 1n4n n ALA 27 Ca -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 1n4n n ALA 27 Cb 0.35 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.13 -1.10 -4.22 0.00 0.00 -0.50 -5.03 118.16 107.17 1n4n n LYS 28 Ca 0.11 1.13 -0.17 0.00 0.00 0.00 0.00 58.31 59.38 1n4n n LYS 28 Cb 0.17 -4.67 -0.13 0.00 0.00 0.00 0.00 35.03 30.41 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 -3.05 1.01 0.12 5.64 0.40 0.41 -4.94 117.98 117.56 1n4n s PHE 29 Ca 0.06 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.81 1n4n s PHE 29 Cb -0.01 -0.59 -0.07 0.00 0.51 0.00 0.00 43.02 42.86 1n4n s PHE 29 CO 0.55 0.01 1.76 0.77 0.70 0.00 0.00 175.22 179.01 1n4n h SER 30 N 4.80 0.12 -4.75 1.36 0.02 -1.20 -3.38 113.55 110.51 1n4n h SER 30 Ca -0.37 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1n4n h SER 30 Cb 1.19 -0.01 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 1n4n h SER 30 CO 0.43 0.09 0.31 -0.62 -1.14 0.00 0.00 176.83 175.91 1n4n s ASP 31 N -5.31 -0.54 -0.01 3.07 2.15 -0.66 -4.97 116.67 110.40 1n4n s ASP 31 Ca -0.13 0.42 0.04 0.00 0.43 0.00 0.00 52.55 53.32 1n4n s ASP 31 Cb 0.08 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.15 1n4n s ASP 31 CO 0.69 -0.62 -0.13 -0.83 -0.17 0.00 0.00 175.17 174.11 1n4n s GLY 32 N -1.62 1.62 -0.02 2.66 0.00 -1.26 -0.09 107.32 108.61 1n4n s GLY 32 Ca -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1n4n s GLY 32 CO 0.01 -0.89 -0.01 -2.38 0.00 0.00 0.00 173.10 169.83 1n4n s HIS 33 N -0.87 0.33 0.16 1.90 -3.43 0.18 -4.40 115.29 109.16 1n4n s HIS 33 Ca 0.14 -0.03 -0.30 0.00 -0.80 0.00 0.00 55.06 54.07 1n4n s HIS 33 Cb -0.11 -0.36 -0.08 0.00 -1.43 0.00 0.00 32.58 30.61 1n4n s HIS 33 CO 0.04 -0.09 1.20 0.00 -2.00 0.00 0.00 174.74 173.89 1n4n n SER 35 N 2.80 -1.19 -0.05 0.00 3.41 0.69 -4.89 113.62 114.39 1n4n n SER 35 Ca 0.05 -1.29 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 1n4n n SER 35 Cb 0.45 -1.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.25 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 -4.40 0.66 0.00 4.33 4.81 -1.26 -3.98 118.16 118.32 1n4n n LYS 36 Ca 0.16 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1n4n n LYS 36 Cb 0.58 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.94 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 -3.01 0.00 1.56 3.15 5.41 -1.26 -4.39 119.36 120.82 1n4n n ILE 37 Ca -0.24 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.58 1n4n n ILE 37 Cb 1.08 -0.46 0.44 0.00 -0.71 0.00 0.00 39.64 39.99 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 0.00 -2.40 1.39 7.94 -1.26 -4.83 117.00 117.84 1n4n n LEU 38 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 1n4n n LEU 38 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1n4n n LEU 38 CO 0.00 0.00 -0.14 -1.14 -1.11 0.00 0.00 177.39 175.00 1n4n n ARG 39 N -0.79 -2.76 -1.58 1.96 3.00 -1.26 -4.28 116.66 110.95 1n4n n ARG 39 Ca 0.11 0.88 -0.33 0.00 -0.00 0.00 0.00 57.85 58.51 1n4n n ARG 39 Cb 0.05 -5.48 0.06 0.00 0.00 0.00 0.00 32.46 27.10 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 -5.22 2.56 -0.80 -0.14 0.52 -1.26 -0.49 118.95 114.13 1n4n s ARG 40 Ca 0.12 1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 56.47 1n4n s ARG 40 Cb -0.05 -1.92 0.05 0.00 0.52 0.00 0.00 34.95 33.55 1n4n s ARG 40 CO 0.14 -1.43 1.22 0.00 0.02 0.00 0.00 175.30 175.25 1n4n s LEU 42 N 4.84 4.10 -0.06 0.00 1.02 0.53 -1.09 118.68 128.01 1n4n s LEU 42 Ca 0.34 0.60 -0.15 0.00 0.02 0.00 0.00 54.13 54.95 1n4n s LEU 42 Cb -0.08 -3.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.03 1n4n s LEU 42 CO 0.06 -0.62 0.38 0.00 0.02 0.00 0.00 176.35 176.18 1n4n s THR 44 N -0.47 2.28 0.35 0.00 -4.23 0.88 -0.42 115.64 114.03 1n4n s THR 44 Ca 0.22 -1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 59.38 1n4n s THR 44 Cb -0.15 -1.86 0.04 0.00 1.34 0.00 0.00 72.50 71.87 1n4n s THR 44 CO 0.10 0.47 0.76 -1.59 -0.54 0.00 0.00 174.62 173.83 1n4n s LYS 45 N -0.95 2.08 0.35 3.99 -2.85 0.19 -0.69 119.74 121.86 1n4n s LYS 45 Ca 0.11 -1.29 -0.25 0.00 -1.00 0.00 0.00 55.97 53.55 1n4n s LYS 45 Cb -0.10 0.62 -0.10 0.00 -2.06 0.00 0.00 37.83 36.19 1n4n s LYS 45 CO 0.01 -0.97 0.96 -1.83 0.10 0.00 0.00 175.35 173.62 1n4n s GLU 46 N -2.87 4.49 0.00 1.78 1.03 -1.26 -0.35 118.70 121.51 1n4n s GLU 46 Ca 0.14 1.31 0.00 0.00 0.03 0.00 0.00 54.97 56.45 1n4n s GLU 46 Cb -0.05 -2.67 0.00 0.00 -0.80 0.00 0.00 34.13 30.61 1n4n s GLU 46 CO 0.10 0.19 0.00 0.00 -1.33 0.00 0.00 175.26 174.22