#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 5.00 -0.08 0.00 2.01 -1.26 -2.65 115.64 118.66 1n4n s THR 2 Ca 0.00 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1n4n s THR 2 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1n4n s THR 2 CO 0.00 -0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 173.48 1n4n s LYS 4 N -0.12 1.49 -0.27 0.00 2.36 -1.26 -0.99 119.74 120.95 1n4n s LYS 4 Ca -0.03 -0.33 -0.14 0.00 -2.55 0.00 0.00 55.97 52.92 1n4n s LYS 4 Cb -0.14 -1.29 0.08 0.00 -1.05 0.00 0.00 37.83 35.43 1n4n s LYS 4 CO 0.04 -0.03 0.64 0.00 1.55 0.00 0.00 175.35 177.56 1n4n s ALA 5 N 0.82 -1.78 0.36 3.13 0.00 0.90 -4.95 121.76 120.23 1n4n s ALA 5 Ca -0.12 2.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.85 1n4n s ALA 5 Cb -0.15 -1.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.45 1n4n s ALA 5 CO 0.02 -0.45 1.38 -1.21 0.00 0.00 0.00 175.76 175.50 1n4n s GLU 6 N 1.80 4.21 -0.03 0.00 8.01 -1.26 -0.95 118.70 130.48 1n4n s GLU 6 Ca -0.09 2.35 -0.36 0.00 0.01 0.00 0.00 54.97 56.87 1n4n s GLU 6 Cb -0.07 -2.99 -0.15 0.00 -4.31 0.00 0.00 34.13 26.62 1n4n s GLU 6 CO -0.19 -0.36 1.62 0.00 0.01 0.00 0.00 175.26 176.34 1n4n h PRO 8 N 6.64 0.78 -1.65 0.00 0.11 -1.92 -1.17 132.00 134.78 1n4n h PRO 8 Ca -0.47 -0.05 -0.42 0.00 0.11 0.00 0.00 66.00 65.18 1n4n h PRO 8 Cb 1.30 -0.17 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 1n4n h PRO 8 CO 0.89 0.51 0.45 0.25 -0.21 0.00 0.00 178.00 179.89 1n4n n THR 9 N -4.75 3.05 -3.22 -1.15 -2.24 -1.26 -4.61 114.28 100.10 1n4n n THR 9 Ca 0.17 -2.25 -0.14 0.00 -2.27 0.00 0.00 64.05 59.56 1n4n n THR 9 Cb 0.37 -1.41 -0.06 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 -1.96 -0.46 -0.87 4.78 -0.11 -0.44 -4.93 118.94 114.94 1n4n s TRP 10 Ca 0.44 -0.96 0.17 0.00 1.22 0.00 0.00 56.10 56.97 1n4n s TRP 10 Cb 0.32 -0.27 -0.17 0.00 -1.50 0.00 0.00 33.47 31.84 1n4n s TRP 10 CO -0.08 -1.03 0.74 -0.40 -4.62 0.00 0.00 176.95 171.56 1n4n n ASP 11 N 3.69 0.88 -3.40 5.86 5.75 -1.26 -4.62 116.55 123.45 1n4n n ASP 11 Ca 0.17 -0.94 -0.20 0.00 -0.01 0.00 0.00 54.79 53.81 1n4n n ASP 11 Cb 0.49 0.96 0.13 0.00 -1.03 0.00 0.00 41.12 41.68 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n4n n SER 12 N -1.31 0.22 -4.72 -1.12 2.88 -1.26 -5.02 113.62 103.30 1n4n n SER 12 Ca 0.04 -1.41 -0.40 0.00 -1.33 0.00 0.00 58.87 55.76 1n4n n SER 12 Cb 0.28 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 63.03 1n4n n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1n4n s VAL 13 N -2.85 5.01 -0.08 2.46 1.01 -1.26 -4.57 120.40 120.12 1n4n s VAL 13 Ca 0.51 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1n4n s VAL 13 Cb -0.02 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1n4n s VAL 13 CO 0.36 0.23 1.00 0.00 0.00 0.00 0.00 175.10 176.69 1n4n n ILE 15 N 4.40 1.52 -3.97 0.00 5.41 -1.26 -4.96 119.36 120.49 1n4n n ILE 15 Ca 0.08 -0.59 -0.08 0.00 1.00 0.00 0.00 62.75 63.16 1n4n n ILE 15 Cb 0.49 -1.41 -0.08 0.00 -0.71 0.00 0.00 39.64 37.92 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 -6.53 0.25 0.28 4.38 3.84 -1.26 -5.05 114.94 110.85 1n4n s ASN 16 Ca -0.33 -0.84 -0.00 0.00 0.21 0.00 0.00 52.86 51.90 1n4n s ASN 16 Cb 0.09 0.30 0.40 0.00 -0.55 0.00 0.00 41.25 41.48 1n4n s ASN 16 CO 0.63 -0.70 1.78 0.50 -2.79 0.00 0.00 177.10 176.52 1n4n h LYS 17 N 2.87 0.72 0.00 0.43 3.64 -1.96 -3.17 116.57 119.11 1n4n h LYS 17 Ca -0.34 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1n4n h LYS 17 Cb 1.18 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1n4n h LYS 17 CO 0.59 0.74 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.87 1n4n h LYS 18 N 0.67 -0.55 -0.84 1.90 1.63 -1.97 0.34 116.57 117.76 1n4n h LYS 18 Ca 0.13 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 1n4n h LYS 18 Cb 0.44 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1n4n h LYS 18 CO 0.02 -0.37 0.50 -1.35 -3.45 0.00 0.00 179.45 174.80 1n4n h PRO 19 N -0.57 0.84 0.14 1.90 0.11 -1.99 -1.44 132.00 130.98 1n4n h PRO 19 Ca 0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1n4n h PRO 19 Cb 0.65 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1n4n h PRO 19 CO -0.31 0.56 -0.07 0.00 -0.21 0.00 0.00 178.00 177.97 1n4n h VAL 21 N -0.22 1.00 -0.30 0.00 2.07 0.09 0.18 116.25 119.08 1n4n h VAL 21 Ca -0.02 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1n4n h VAL 21 Cb 0.17 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1n4n h VAL 21 CO 0.03 0.14 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1n4n h ALA 22 N 1.60 0.39 -0.40 1.67 0.00 -0.83 0.49 119.26 122.18 1n4n h ALA 22 Ca 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1n4n h ALA 22 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n4n h ALA 22 CO -0.12 -0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.22 1n4n h LYS 25 N 0.66 0.59 0.00 0.00 1.63 0.33 0.38 116.57 120.16 1n4n h LYS 25 Ca 0.14 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 1n4n h LYS 25 Cb 0.38 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1n4n h LYS 25 CO 0.01 0.69 -0.25 1.57 -3.45 0.00 0.00 179.45 178.03 1n4n h LYS 26 N 0.40 0.00 -0.00 1.90 5.09 -1.12 -0.66 116.57 122.18 1n4n h LYS 26 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 1n4n h LYS 26 Cb 0.41 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.74 1n4n h LYS 26 CO 0.01 0.25 -0.00 0.00 -2.09 0.00 0.00 179.45 177.61 1n4n n ALA 27 N -2.36 2.66 -2.65 0.07 0.00 -0.63 -4.89 120.51 112.71 1n4n n ALA 27 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1n4n n ALA 27 Cb 0.34 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.93 -2.31 -3.98 0.00 4.81 -0.25 -5.04 118.16 110.46 1n4n n LYS 28 Ca 0.22 0.38 -0.32 0.00 -0.87 0.00 0.00 58.31 57.73 1n4n n LYS 28 Cb 0.15 -4.13 -0.05 0.00 0.02 0.00 0.00 35.03 31.02 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 -2.86 3.40 0.10 5.64 0.40 0.13 -5.00 117.98 119.79 1n4n s PHE 29 Ca 0.15 0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 56.47 1n4n s PHE 29 Cb -0.07 -1.73 -0.13 0.00 0.51 0.00 0.00 43.02 41.61 1n4n s PHE 29 CO 0.18 0.58 1.75 0.77 0.70 0.00 0.00 175.22 179.20 1n4n h SER 30 N 3.41 0.06 -4.58 1.36 0.02 -1.66 -3.37 113.55 108.79 1n4n h SER 30 Ca -0.47 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 1n4n h SER 30 Cb 1.17 -0.02 -0.20 0.00 0.14 0.00 0.00 62.40 63.49 1n4n h SER 30 CO 0.70 0.05 0.08 -0.62 -1.14 0.00 0.00 176.83 175.90 1n4n s ASP 31 N -5.25 -0.62 -0.05 3.07 -1.08 -0.62 -4.96 116.67 107.17 1n4n s ASP 31 Ca -0.13 0.89 0.01 0.00 -0.52 0.00 0.00 52.55 52.80 1n4n s ASP 31 Cb 0.07 0.83 -0.03 0.00 -1.46 0.00 0.00 42.92 42.33 1n4n s ASP 31 CO 0.67 -0.44 -0.05 -0.83 0.52 0.00 0.00 175.17 175.04 1n4n s GLY 32 N -0.59 1.75 -0.04 2.66 0.00 -1.26 -0.43 107.32 109.41 1n4n s GLY 32 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1n4n s GLY 32 CO 0.06 -0.70 -0.10 -2.38 0.00 0.00 0.00 173.10 169.97 1n4n s HIS 33 N -0.88 1.17 0.20 1.90 -3.43 0.13 -4.36 115.29 110.01 1n4n s HIS 33 Ca 0.14 -0.35 -0.30 0.00 -0.80 0.00 0.00 55.06 53.74 1n4n s HIS 33 Cb -0.11 -0.86 -0.09 0.00 -1.43 0.00 0.00 32.58 30.09 1n4n s HIS 33 CO 0.04 -0.18 1.35 0.00 -2.00 0.00 0.00 174.74 173.95 1n4n n SER 35 N 2.74 0.00 0.00 0.00 3.41 -1.05 -4.92 113.62 113.80 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 0.73 0.00 4.33 4.81 -1.26 -4.75 118.16 122.02 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 -0.66 0.00 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.34 0.00 1.99 3.15 5.41 -1.26 -4.17 119.36 123.14 1n4n n ILE 37 Ca 0.00 0.05 0.12 0.00 1.00 0.00 0.00 62.75 63.91 1n4n n ILE 37 Cb 0.16 -0.99 0.69 0.00 -0.71 0.00 0.00 39.64 38.79 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 -2.17 1.39 7.94 -1.26 -4.86 117.00 118.04 1n4n n LEU 38 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 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 -0.86 -2.39 -1.91 1.96 3.00 -1.26 -4.76 116.66 110.45 1n4n n ARG 39 Ca 0.17 0.80 -0.32 0.00 -0.00 0.00 0.00 57.85 58.51 1n4n n ARG 39 Cb 0.08 -5.29 0.02 0.00 0.00 0.00 0.00 32.46 27.27 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 -5.10 3.27 -0.68 -0.14 0.52 -1.26 -0.05 118.95 115.51 1n4n s ARG 40 Ca 0.09 1.06 -0.24 0.00 -0.52 0.00 0.00 55.73 56.12 1n4n s ARG 40 Cb -0.04 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.45 1n4n s ARG 40 CO 0.12 -0.84 1.07 0.00 0.02 0.00 0.00 175.30 175.67 1n4n s LEU 42 N 4.63 4.15 -0.14 0.00 1.02 -0.70 -1.15 118.68 126.48 1n4n s LEU 42 Ca 0.27 1.32 -0.06 0.00 0.02 0.00 0.00 54.13 55.68 1n4n s LEU 42 Cb -0.14 -3.43 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 1n4n s LEU 42 CO 0.12 -0.53 0.08 0.00 0.02 0.00 0.00 176.35 176.03 1n4n s THR 44 N -0.46 1.95 0.20 0.00 -4.23 0.43 -0.07 115.64 113.46 1n4n s THR 44 Ca 0.10 -1.09 -0.23 0.00 -1.18 0.00 0.00 61.69 59.29 1n4n s THR 44 Cb -0.12 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.15 1n4n s THR 44 CO 0.02 0.51 0.70 -1.59 -0.54 0.00 0.00 174.62 173.72 1n4n s LYS 45 N -0.68 1.48 -0.13 3.99 -2.85 -0.16 -1.59 119.74 119.80 1n4n s LYS 45 Ca 0.10 -0.71 -0.29 0.00 -1.00 0.00 0.00 55.97 54.06 1n4n s LYS 45 Cb -0.09 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1n4n s LYS 45 CO -0.00 -0.66 1.01 -1.83 0.10 0.00 0.00 175.35 173.96 1n4n s GLU 46 N -3.75 4.39 0.00 1.78 1.03 -1.26 -1.21 118.70 119.68 1n4n s GLU 46 Ca 0.07 1.37 0.00 0.00 0.03 0.00 0.00 54.97 56.44 1n4n s GLU 46 Cb -0.03 -3.56 0.00 0.00 -0.80 0.00 0.00 34.13 29.74 1n4n s GLU 46 CO -0.03 -0.36 0.00 0.00 -1.33 0.00 0.00 175.26 173.54