#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 -0.51 -0.06 0.00 2.01 -1.25 -4.05 115.64 111.78 1n4n s THR 2 Ca 0.00 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1n4n s THR 2 Cb 0.00 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1n4n s THR 2 CO 0.00 0.06 -0.15 0.00 -0.69 0.00 0.00 174.62 173.83 1n4n s LYS 4 N -0.58 0.29 -0.01 0.00 2.20 -1.26 -0.40 119.74 119.98 1n4n s LYS 4 Ca 0.08 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 1n4n s LYS 4 Cb -0.11 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 1n4n s LYS 4 CO 0.01 -0.25 0.68 0.00 -0.36 0.00 0.00 175.35 175.43 1n4n s ALA 5 N 2.44 -1.74 0.39 3.13 0.00 -0.20 -4.94 121.76 120.84 1n4n s ALA 5 Ca -0.02 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 1n4n s ALA 5 Cb -0.12 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 1n4n s ALA 5 CO -0.12 -0.46 1.32 -1.21 0.00 0.00 0.00 175.76 175.29 1n4n s GLU 6 N -1.80 4.06 0.02 0.00 2.02 -1.25 -0.19 118.70 121.55 1n4n s GLU 6 Ca -0.08 2.21 -0.35 0.00 0.02 0.00 0.00 54.97 56.77 1n4n s GLU 6 Cb -0.00 -2.85 -0.14 0.00 0.10 0.00 0.00 34.13 31.24 1n4n s GLU 6 CO 0.04 -0.43 1.63 0.00 0.02 0.00 0.00 175.26 176.52 1n4n h PRO 8 N 6.67 0.95 -1.65 0.00 0.11 -1.92 -2.31 132.00 133.85 1n4n h PRO 8 Ca -0.47 -0.06 -0.42 0.00 0.11 0.00 0.00 66.00 65.16 1n4n h PRO 8 Cb 1.28 -0.21 -0.17 0.00 0.11 0.00 0.00 31.00 32.01 1n4n h PRO 8 CO 0.89 0.63 0.46 0.25 -0.21 0.00 0.00 178.00 180.02 1n4n n THR 9 N -4.61 3.06 -3.69 -1.15 -2.24 -1.26 -4.81 114.28 99.58 1n4n n THR 9 Ca 0.12 -2.28 -0.13 0.00 -2.27 0.00 0.00 64.05 59.49 1n4n n THR 9 Cb 0.17 -1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 66.85 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 -1.99 -0.36 -0.42 4.78 -0.11 -0.87 -5.03 118.94 114.94 1n4n s TRP 10 Ca 0.44 0.86 0.09 0.00 1.22 0.00 0.00 56.10 58.71 1n4n s TRP 10 Cb 0.32 -0.03 0.33 0.00 -1.50 0.00 0.00 33.47 32.59 1n4n s TRP 10 CO -0.09 -0.30 0.95 -3.47 -4.62 0.00 0.00 176.95 169.42 1n4n n ASP 11 N 4.93 -0.94 -4.03 5.86 2.03 -1.26 -4.80 116.55 118.34 1n4n n ASP 11 Ca -0.13 -3.39 -0.11 0.00 0.52 0.00 0.00 54.79 51.68 1n4n n ASP 11 Cb 0.51 0.81 -0.07 0.00 -0.72 0.00 0.00 41.12 41.64 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1n4n s SER 12 N -1.78 0.09 -0.03 1.67 0.15 -1.26 -5.12 113.70 107.41 1n4n s SER 12 Ca 0.30 -1.16 -0.30 0.00 0.70 0.00 0.00 55.95 55.49 1n4n s SER 12 Cb 0.32 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1n4n s SER 12 CO -0.06 -1.03 1.07 -0.69 1.20 0.00 0.00 173.24 173.73 1n4n s VAL 13 N -4.01 4.56 -0.06 4.45 1.01 -1.26 -3.97 120.40 121.12 1n4n s VAL 13 Ca 0.30 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.83 1n4n s VAL 13 Cb 0.02 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1n4n s VAL 13 CO 0.11 0.07 1.66 0.00 0.00 0.00 0.00 175.10 176.95 1n4n n ILE 15 N 5.51 1.46 -3.70 0.00 2.08 -1.26 -5.02 119.36 118.42 1n4n n ILE 15 Ca 0.17 -0.73 -0.09 0.00 0.56 0.00 0.00 62.75 62.66 1n4n n ILE 15 Cb 0.43 -0.92 -0.02 0.00 -0.75 0.00 0.00 39.64 38.38 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 -5.99 -0.36 0.18 4.38 3.84 -1.26 -5.06 114.94 110.66 1n4n s ASN 16 Ca -0.20 -0.39 -0.11 0.00 0.21 0.00 0.00 52.86 52.36 1n4n s ASN 16 Cb 0.07 0.67 0.08 0.00 -0.55 0.00 0.00 41.25 41.52 1n4n s ASN 16 CO 0.74 -1.18 1.71 0.50 -2.79 0.00 0.00 177.10 176.07 1n4n h LYS 17 N 2.03 0.96 -0.26 0.43 3.64 -1.96 -3.29 116.57 118.11 1n4n h LYS 17 Ca -0.25 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1n4n h LYS 17 Cb 1.27 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 1n4n h LYS 17 CO 0.30 0.85 -0.35 1.57 -2.27 0.00 0.00 179.45 179.55 1n4n h LYS 18 N 0.88 -0.34 -0.66 1.90 2.10 -1.97 0.22 116.57 118.70 1n4n h LYS 18 Ca 0.20 0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.97 1n4n h LYS 18 Cb 0.29 0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 31.62 1n4n h LYS 18 CO -0.01 -0.22 0.30 -1.35 -2.00 0.00 0.00 179.45 176.16 1n4n h PRO 19 N -0.35 0.50 -0.23 0.07 0.11 -2.00 0.64 132.00 130.74 1n4n h PRO 19 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1n4n h PRO 19 Cb 0.56 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1n4n h PRO 19 CO -0.45 0.33 0.13 0.00 -0.21 0.00 0.00 178.00 177.79 1n4n h VAL 21 N 0.26 0.98 -0.53 0.00 2.07 0.30 -0.05 116.25 119.28 1n4n h VAL 21 Ca 0.08 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1n4n h VAL 21 Cb 0.06 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1n4n h VAL 21 CO -0.01 0.14 0.28 0.00 0.02 0.00 0.00 177.57 177.99 1n4n h ALA 22 N 1.37 0.68 -0.42 1.67 0.00 -0.52 0.45 119.26 122.49 1n4n h ALA 22 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1n4n h ALA 22 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n4n h ALA 22 CO -0.19 -0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.15 1n4n h LYS 25 N 0.86 0.51 0.00 0.00 1.79 0.17 0.15 116.57 120.05 1n4n h LYS 25 Ca 0.19 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1n4n h LYS 25 Cb 0.29 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1n4n h LYS 25 CO -0.00 0.63 -0.23 1.57 -1.08 0.00 0.00 179.45 180.34 1n4n h LYS 26 N 0.31 0.00 -0.00 3.15 5.09 -1.18 -1.26 116.57 122.68 1n4n h LYS 26 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.83 1n4n h LYS 26 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1n4n h LYS 26 CO 0.01 0.23 -0.01 0.00 -2.09 0.00 0.00 179.45 177.59 1n4n n ALA 27 N -2.33 2.65 -2.86 0.07 0.00 -0.58 -4.90 120.51 112.56 1n4n n ALA 27 Ca -0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1n4n n ALA 27 Cb 0.34 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.95 -3.35 -4.13 0.00 4.81 -0.47 -5.05 118.16 109.01 1n4n n LYS 28 Ca 0.21 0.37 -0.30 0.00 -0.87 0.00 0.00 58.31 57.72 1n4n n LYS 28 Cb 0.17 -4.01 -0.08 0.00 0.02 0.00 0.00 35.03 31.13 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 -3.15 2.97 0.20 5.64 0.40 0.49 -4.98 117.98 119.55 1n4n s PHE 29 Ca 0.17 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.34 1n4n s PHE 29 Cb -0.07 -1.52 0.12 0.00 0.51 0.00 0.00 43.02 42.06 1n4n s PHE 29 CO 0.33 0.48 1.86 0.66 0.70 0.00 0.00 175.22 179.25 1n4n h SER 30 N 3.41 0.77 -4.49 1.36 4.64 -1.69 -3.38 113.55 114.17 1n4n h SER 30 Ca -0.48 -0.02 0.15 0.00 -0.47 0.00 0.00 61.79 60.97 1n4n h SER 30 Cb 1.17 -0.19 -0.17 0.00 -0.31 0.00 0.00 62.40 62.89 1n4n h SER 30 CO 0.59 0.56 0.59 -0.62 -0.87 0.00 0.00 176.83 177.08 1n4n s ASP 31 N -5.81 -0.30 0.23 4.97 2.15 -0.90 -4.96 116.67 112.04 1n4n s ASP 31 Ca -0.13 0.03 0.11 0.00 0.43 0.00 0.00 52.55 52.99 1n4n s ASP 31 Cb 0.14 0.31 -0.05 0.00 -0.30 0.00 0.00 42.92 43.02 1n4n s ASP 31 CO 0.77 -0.49 -0.20 -0.83 -0.17 0.00 0.00 175.17 174.24 1n4n s GLY 32 N -2.30 1.72 0.01 2.66 0.00 -1.26 -0.10 107.32 108.06 1n4n s GLY 32 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1n4n s GLY 32 CO -0.07 -1.80 -0.03 -2.38 0.00 0.00 0.00 173.10 168.82 1n4n s HIS 33 N -2.25 0.22 0.48 1.90 -3.43 0.60 -4.54 115.29 108.26 1n4n s HIS 33 Ca 0.24 -0.29 -0.24 0.00 -0.80 0.00 0.00 55.06 53.98 1n4n s HIS 33 Cb -0.05 -0.15 -0.08 0.00 -1.43 0.00 0.00 32.58 30.87 1n4n s HIS 33 CO 0.11 -0.09 1.38 0.00 -2.00 0.00 0.00 174.74 174.15 1n4n n SER 35 N -0.36 0.00 0.00 0.00 3.41 -1.26 -4.75 113.62 110.65 1n4n n SER 35 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1n4n n SER 35 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.00 0.00 0.00 4.33 4.81 -1.26 -4.73 118.16 121.30 1n4n n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n4n n LYS 36 Cb 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 34.81 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 -1.45 0.00 0.84 3.15 5.41 -1.26 -3.70 119.36 122.35 1n4n n ILE 37 Ca 0.00 1.15 0.12 0.00 1.00 0.00 0.00 62.75 65.02 1n4n n ILE 37 Cb 0.00 -2.04 0.16 0.00 -0.71 0.00 0.00 39.64 37.05 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 -1.11 0.60 -2.49 1.39 7.94 -1.26 -4.95 117.00 117.11 1n4n n LEU 38 Ca 0.00 -0.01 -0.18 0.00 -1.11 0.00 0.00 56.01 54.71 1n4n n LEU 38 Cb 0.00 -0.18 0.03 0.00 0.53 0.00 0.00 43.42 43.80 1n4n n LEU 38 CO 0.00 0.09 0.01 -1.14 -1.11 0.00 0.00 177.39 175.24 1n4n n ARG 39 N -1.70 -4.12 0.00 1.96 3.00 -1.24 -4.84 116.66 109.71 1n4n n ARG 39 Ca 0.04 0.73 0.00 0.00 -0.00 0.00 0.00 57.85 58.62 1n4n n ARG 39 Cb 0.37 -5.22 0.00 0.00 0.00 0.00 0.00 32.46 27.62 1n4n n ARG 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1n4n n ARG 40 N -3.43 0.00 -3.15 -0.14 1.74 -1.25 0.60 116.66 111.03 1n4n n ARG 40 Ca -0.08 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.05 1n4n n ARG 40 Cb 0.59 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.02 1n4n n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4n s LEU 42 N 2.97 4.10 -0.09 0.00 1.02 -0.68 -0.99 118.68 125.02 1n4n s LEU 42 Ca 0.06 0.90 -0.08 0.00 0.02 0.00 0.00 54.13 55.03 1n4n s LEU 42 Cb -0.07 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.08 1n4n s LEU 42 CO -0.13 -0.39 0.19 0.00 0.02 0.00 0.00 176.35 176.03 1n4n s THR 44 N -1.07 2.42 0.22 0.00 -4.23 0.86 -1.03 115.64 112.81 1n4n s THR 44 Ca 0.18 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 59.21 1n4n s THR 44 Cb -0.13 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.79 1n4n s THR 44 CO 0.07 0.39 0.72 -1.59 -0.54 0.00 0.00 174.62 173.67 1n4n s LYS 45 N -1.21 1.55 0.45 3.99 -2.85 0.47 -2.01 119.74 120.13 1n4n s LYS 45 Ca 0.13 -0.78 -0.20 0.00 -1.00 0.00 0.00 55.97 54.11 1n4n s LYS 45 Cb -0.10 0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 1n4n s LYS 45 CO 0.03 -0.70 0.97 -1.83 0.10 0.00 0.00 175.35 173.91 1n4n s GLU 46 N -3.78 4.13 0.00 1.78 -1.05 -1.26 -0.42 118.70 118.10 1n4n s GLU 46 Ca 0.08 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 1n4n s GLU 46 Cb -0.04 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 1n4n s GLU 46 CO 0.00 -0.12 0.00 0.00 0.95 0.00 0.00 175.26 176.10