#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 -0.58 0.13 0.00 2.01 -1.26 -4.36 115.64 111.59 1n4n s THR 2 Ca 0.00 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1n4n s THR 2 Cb 0.00 -0.41 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 1n4n s THR 2 CO 0.00 -0.38 0.56 0.00 -0.69 0.00 0.00 174.62 174.12 1n4n s LYS 4 N -1.77 1.32 -0.28 0.00 1.02 -1.26 -0.51 119.74 118.26 1n4n s LYS 4 Ca 0.36 -0.46 -0.17 0.00 0.02 0.00 0.00 55.97 55.72 1n4n s LYS 4 Cb -0.16 -1.20 0.11 0.00 -0.52 0.00 0.00 37.83 36.06 1n4n s LYS 4 CO 0.19 0.20 0.81 0.00 -0.92 0.00 0.00 175.35 175.63 1n4n s ALA 5 N 0.04 -2.02 0.38 5.17 0.00 0.34 -4.94 121.76 120.74 1n4n s ALA 5 Ca -0.02 2.29 -0.27 0.00 0.00 0.00 0.00 51.96 53.96 1n4n s ALA 5 Cb -0.09 -1.52 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 1n4n s ALA 5 CO 0.01 -0.36 1.37 -1.21 0.00 0.00 0.00 175.76 175.57 1n4n s GLU 6 N 1.38 4.08 -0.11 0.00 8.01 -1.25 -0.54 118.70 130.26 1n4n s GLU 6 Ca -0.08 2.32 -0.38 0.00 0.01 0.00 0.00 54.97 56.84 1n4n s GLU 6 Cb -0.04 -2.89 -0.16 0.00 -4.31 0.00 0.00 34.13 26.73 1n4n s GLU 6 CO -0.16 -0.46 1.61 0.00 0.01 0.00 0.00 175.26 176.26 1n4n h PRO 8 N 6.43 0.74 -1.53 0.00 0.13 -1.91 -1.44 132.00 134.43 1n4n h PRO 8 Ca -0.47 -0.04 -0.37 0.00 -0.87 0.00 0.00 66.00 64.25 1n4n h PRO 8 Cb 1.32 -0.17 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1n4n h PRO 8 CO 0.89 0.49 0.45 0.25 -0.23 0.00 0.00 178.00 179.85 1n4n n THR 9 N -4.77 2.90 -3.65 1.56 -2.24 -1.26 -4.80 114.28 102.03 1n4n n THR 9 Ca 0.16 -1.89 -0.21 0.00 -2.27 0.00 0.00 64.05 59.83 1n4n n THR 9 Cb 0.34 -1.35 -0.17 0.00 -2.10 0.00 0.00 70.33 67.05 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 0.06 -0.40 4.78 -0.11 -0.54 -5.01 118.94 115.76 1n4n s TRP 10 Ca 0.36 0.13 0.11 0.00 1.22 0.00 0.00 56.10 57.92 1n4n s TRP 10 Cb 0.28 -0.52 0.37 0.00 -1.50 0.00 0.00 33.47 32.10 1n4n s TRP 10 CO -0.03 -0.30 1.05 -3.47 -4.62 0.00 0.00 176.95 169.58 1n4n n ASP 11 N 5.30 -0.70 -3.09 5.86 -0.08 -1.26 -4.79 116.55 117.78 1n4n n ASP 11 Ca -0.04 -3.03 -0.11 0.00 -1.51 0.00 0.00 54.79 50.09 1n4n n ASP 11 Cb 0.50 0.59 -0.01 0.00 2.34 0.00 0.00 41.12 44.54 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1n4n s SER 12 N -1.91 0.41 -0.11 1.67 0.01 -1.26 -5.13 113.70 107.38 1n4n s SER 12 Ca 0.28 -1.29 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 1n4n s SER 12 Cb 0.37 0.76 -0.02 0.00 0.21 0.00 0.00 66.02 67.34 1n4n s SER 12 CO -0.05 -1.51 1.10 -0.69 0.41 0.00 0.00 173.24 172.50 1n4n s VAL 13 N -2.68 4.55 -0.04 3.43 1.01 -1.23 -4.30 120.40 121.13 1n4n s VAL 13 Ca 0.22 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 1n4n s VAL 13 Cb -0.03 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1n4n s VAL 13 CO 0.15 -0.03 1.35 0.00 0.00 0.00 0.00 175.10 176.57 1n4n n ILE 15 N 4.82 0.76 -3.62 0.00 5.41 -1.26 -4.99 119.36 120.49 1n4n n ILE 15 Ca 0.13 -0.69 -0.14 0.00 1.00 0.00 0.00 62.75 63.05 1n4n n ILE 15 Cb 0.44 -0.28 -0.06 0.00 -0.71 0.00 0.00 39.64 39.03 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 -5.08 -0.39 0.32 4.38 3.84 -1.26 -5.05 114.94 111.70 1n4n s ASN 16 Ca -0.08 0.18 0.04 0.00 0.21 0.00 0.00 52.86 53.20 1n4n s ASN 16 Cb 0.10 0.46 0.56 0.00 -0.55 0.00 0.00 41.25 41.81 1n4n s ASN 16 CO 0.86 -0.66 1.84 0.50 -2.79 0.00 0.00 177.10 176.86 1n4n h LYS 17 N 3.00 0.54 0.02 0.43 3.64 -1.94 -3.25 116.57 119.01 1n4n h LYS 17 Ca -0.30 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1n4n h LYS 17 Cb 1.20 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1n4n h LYS 17 CO 0.41 0.59 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.52 1n4n h LYS 18 N 0.51 -0.59 -0.76 1.90 3.64 -1.96 0.87 116.57 120.17 1n4n h LYS 18 Ca 0.10 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 1n4n h LYS 18 Cb 0.39 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.22 1n4n h LYS 18 CO 0.02 -0.39 0.08 -1.35 -2.27 0.00 0.00 179.45 175.54 1n4n h PRO 19 N -0.61 0.16 0.18 1.90 0.11 -1.99 0.30 132.00 132.04 1n4n h PRO 19 Ca 0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1n4n h PRO 19 Cb 0.68 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1n4n h PRO 19 CO -0.31 0.10 -0.08 0.00 -0.21 0.00 0.00 178.00 177.49 1n4n h VAL 21 N -0.45 0.99 -0.27 0.00 2.07 0.15 0.48 116.25 119.21 1n4n h VAL 21 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n4n h VAL 21 Cb 0.35 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1n4n h VAL 21 CO 0.04 0.16 0.17 0.00 0.02 0.00 0.00 177.57 177.96 1n4n h ALA 22 N 1.57 0.34 -0.03 1.67 0.00 -0.22 0.31 119.26 122.90 1n4n h ALA 22 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1n4n h ALA 22 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n4n h ALA 22 CO -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 179.25 178.91 1n4n h LYS 25 N 0.66 0.54 0.00 0.00 6.56 -0.24 0.43 116.57 124.52 1n4n h LYS 25 Ca 0.32 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1n4n h LYS 25 Cb 0.27 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1n4n h LYS 25 CO -0.22 0.57 0.00 1.57 -2.06 0.00 0.00 179.45 179.30 1n4n h LYS 26 N 0.41 0.00 -0.64 3.15 5.09 -0.85 -1.59 116.57 122.14 1n4n h LYS 26 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 1n4n h LYS 26 Cb 0.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.58 1n4n h LYS 26 CO -0.00 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.36 1n4n n ALA 27 N -1.86 2.50 -3.00 0.07 0.00 -0.48 -4.97 120.51 112.78 1n4n n ALA 27 Ca 0.01 -1.36 -0.12 0.00 0.00 0.00 0.00 53.44 51.97 1n4n n ALA 27 Cb 0.22 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 1.29 -4.32 -4.70 0.00 4.81 -0.60 -5.03 118.16 109.62 1n4n n LYS 28 Ca 0.22 0.62 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 1n4n n LYS 28 Cb 0.65 -4.92 -0.13 0.00 0.02 0.00 0.00 35.03 30.65 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 -3.27 2.50 0.16 5.64 0.40 0.15 -4.72 117.98 118.83 1n4n s PHE 29 Ca 0.06 -0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 55.93 1n4n s PHE 29 Cb -0.01 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.11 1n4n s PHE 29 CO 0.54 0.23 1.80 0.77 0.70 0.00 0.00 175.22 179.26 1n4n h SER 30 N 4.56 0.50 -4.34 1.36 0.02 -0.50 -3.36 113.55 111.80 1n4n h SER 30 Ca -0.48 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1n4n h SER 30 Cb 1.15 -0.13 -0.22 0.00 0.14 0.00 0.00 62.40 63.35 1n4n h SER 30 CO 0.46 0.39 0.47 -0.62 -1.14 0.00 0.00 176.83 176.39 1n4n s ASP 31 N -5.62 -0.43 0.08 3.07 2.15 -0.89 -4.97 116.67 110.06 1n4n s ASP 31 Ca -0.13 0.45 0.08 0.00 0.43 0.00 0.00 52.55 53.38 1n4n s ASP 31 Cb 0.11 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 43.05 1n4n s ASP 31 CO 0.73 -0.42 -0.20 -0.83 -0.17 0.00 0.00 175.17 174.29 1n4n s GLY 32 N -1.21 1.61 -0.03 2.66 0.00 -1.26 0.19 107.32 109.28 1n4n s GLY 32 Ca -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1n4n s GLY 32 CO 0.03 -1.23 -0.00 -2.38 0.00 0.00 0.00 173.10 169.51 1n4n s HIS 33 N -1.02 0.35 0.23 1.90 -3.43 0.80 -4.50 115.29 109.61 1n4n s HIS 33 Ca 0.16 -0.01 -0.30 0.00 -0.80 0.00 0.00 55.06 54.11 1n4n s HIS 33 Cb -0.10 -0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 30.52 1n4n s HIS 33 CO 0.07 -0.14 1.29 0.00 -2.00 0.00 0.00 174.74 173.96 1n4n s SER 35 N 0.07 1.53 -0.12 0.00 0.15 0.11 -4.88 113.70 110.55 1n4n s SER 35 Ca 0.54 0.90 -0.09 0.00 0.70 0.00 0.00 55.95 58.00 1n4n s SER 35 Cb -0.36 -1.36 -0.26 0.00 -1.71 0.00 0.00 66.02 62.33 1n4n s SER 35 CO 0.41 -3.77 0.38 0.50 1.20 0.00 0.00 173.24 171.96 1n4n h LYS 36 N -2.34 0.25 0.00 5.44 1.63 -1.91 -3.30 116.57 116.34 1n4n h LYS 36 Ca -0.50 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 58.87 1n4n h LYS 36 Cb 1.32 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1n4n h LYS 36 CO 0.45 1.20 0.00 -0.89 -3.45 0.00 0.00 179.45 176.76 1n4n n ILE 37 N -3.61 0.00 1.01 2.00 5.41 -1.26 -4.33 119.36 118.58 1n4n n ILE 37 Ca -0.31 0.09 0.10 0.00 1.00 0.00 0.00 62.75 63.63 1n4n n ILE 37 Cb 1.01 -0.51 0.53 0.00 -0.71 0.00 0.00 39.64 39.95 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 -2.33 1.39 7.94 -1.26 -4.85 117.00 117.89 1n4n n LEU 38 Ca 0.00 0.25 -0.18 0.00 -1.11 0.00 0.00 56.01 54.97 1n4n n LEU 38 Cb 0.00 -0.25 0.02 0.00 0.53 0.00 0.00 43.42 43.72 1n4n n LEU 38 CO 0.00 -0.08 -0.05 0.54 -1.11 0.00 0.00 177.39 176.69 1n4n n ARG 39 N -1.25 -3.32 -1.75 1.96 5.12 -1.24 -3.57 116.66 112.61 1n4n n ARG 39 Ca 0.10 0.75 -0.41 0.00 -1.93 0.00 0.00 57.85 56.36 1n4n n ARG 39 Cb 0.15 -5.22 -0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1n4n n ARG 39 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1n4n n ARG 40 N -3.19 2.46 -2.28 5.56 1.74 -1.26 -3.01 116.66 116.67 1n4n n ARG 40 Ca -0.12 0.86 -0.35 0.00 -0.77 0.00 0.00 57.85 57.47 1n4n n ARG 40 Cb 0.61 -2.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 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 7.67 3.82 -0.15 0.00 1.02 0.26 0.47 118.68 131.76 1n4n s LEU 42 Ca 0.57 0.90 -0.14 0.00 0.02 0.00 0.00 54.13 55.48 1n4n s LEU 42 Cb -0.06 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.56 1n4n s LEU 42 CO 0.03 -1.06 0.29 0.00 0.02 0.00 0.00 176.35 175.63 1n4n s THR 44 N 0.32 4.43 0.00 0.00 2.01 0.13 -0.50 115.64 122.02 1n4n s THR 44 Ca 0.17 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1n4n s THR 44 Cb -0.13 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1n4n s THR 44 CO 0.04 0.25 0.00 2.29 -0.69 0.00 0.00 174.62 176.52 1n4n n LYS 45 N 0.92 0.00 -2.62 4.92 2.85 0.34 0.24 118.16 124.81 1n4n n LYS 45 Ca -0.12 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.74 1n4n n LYS 45 Cb 0.52 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.85 1n4n n LYS 45 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1n4n s GLU 46 N -1.60 4.72 0.00 -1.58 -1.05 -1.26 -2.32 118.70 115.60 1n4n s GLU 46 Ca 0.00 1.62 0.00 0.00 -0.15 0.00 0.00 54.97 56.44 1n4n s GLU 46 Cb 0.00 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 1n4n s GLU 46 CO 0.00 0.30 0.00 0.00 0.95 0.00 0.00 175.26 176.51