#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 4.98 -0.04 0.00 2.01 -1.26 -2.12 115.64 119.21 1n4n s THR 2 Ca 0.00 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.30 1n4n s THR 2 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1n4n s THR 2 CO 0.00 0.07 -0.13 0.00 -0.69 0.00 0.00 174.62 173.87 1n4n s LYS 4 N 0.13 0.04 -0.28 0.00 2.20 -1.26 -0.61 119.74 119.96 1n4n s LYS 4 Ca -0.04 0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 1n4n s LYS 4 Cb -0.10 -0.08 0.09 0.00 -1.51 0.00 0.00 37.83 36.23 1n4n s LYS 4 CO 0.01 -0.02 0.78 0.00 -0.36 0.00 0.00 175.35 175.76 1n4n s ALA 5 N 0.15 -1.95 0.32 3.13 0.00 0.20 -4.96 121.76 118.66 1n4n s ALA 5 Ca -0.01 2.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.94 1n4n s ALA 5 Cb -0.02 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.55 1n4n s ALA 5 CO -0.00 -0.36 1.41 -1.21 0.00 0.00 0.00 175.76 175.60 1n4n s GLU 6 N 1.27 4.25 -0.19 0.00 8.01 -1.26 -0.90 118.70 129.87 1n4n s GLU 6 Ca -0.07 2.35 -0.39 0.00 0.01 0.00 0.00 54.97 56.87 1n4n s GLU 6 Cb -0.05 -3.05 -0.16 0.00 -4.31 0.00 0.00 34.13 26.57 1n4n s GLU 6 CO -0.14 -0.37 1.68 0.00 0.01 0.00 0.00 175.26 176.44 1n4n h PRO 8 N 6.82 0.46 -1.75 0.00 0.13 -1.92 -1.07 132.00 134.67 1n4n h PRO 8 Ca -0.47 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 1n4n h PRO 8 Cb 1.32 -0.10 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 1n4n h PRO 8 CO 0.93 0.30 0.91 0.25 -0.23 0.00 0.00 178.00 180.16 1n4n n THR 9 N -4.50 3.54 -3.66 1.56 -2.24 -1.26 -4.86 114.28 102.86 1n4n n THR 9 Ca 0.15 -3.70 -0.10 0.00 -2.27 0.00 0.00 64.05 58.14 1n4n n THR 9 Cb 0.53 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 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 -3.61 -0.84 0.00 4.78 -0.11 -0.41 -5.02 118.94 113.73 1n4n s TRP 10 Ca 0.55 1.78 0.00 0.00 1.22 0.00 0.00 56.10 59.65 1n4n s TRP 10 Cb 0.44 0.43 0.00 0.00 -1.50 0.00 0.00 33.47 32.84 1n4n s TRP 10 CO -0.28 -0.43 0.00 -0.40 -4.62 0.00 0.00 176.95 171.22 1n4n n ASP 11 N 3.88 0.00 -3.88 5.86 5.68 -1.26 -4.72 116.55 122.12 1n4n n ASP 11 Ca -0.19 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.80 1n4n n ASP 11 Cb 0.57 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.08 2.25 0.06 -1.12 0.01 -1.26 -4.95 113.70 108.62 1n4n s SER 12 Ca 0.00 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1n4n s SER 12 Cb 0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1n4n s SER 12 CO 0.00 -3.27 1.00 -0.69 0.41 0.00 0.00 173.24 170.69 1n4n s VAL 13 N -3.73 4.59 0.19 3.43 1.01 -1.26 -4.52 120.40 120.11 1n4n s VAL 13 Ca 0.76 1.99 -0.31 0.00 0.00 0.00 0.00 61.98 64.42 1n4n s VAL 13 Cb -0.04 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1n4n s VAL 13 CO 0.54 0.23 1.48 0.00 0.00 0.00 0.00 175.10 177.35 1n4n n ILE 15 N 3.31 1.11 -3.54 0.00 5.41 -1.26 -4.99 119.36 119.39 1n4n n ILE 15 Ca 0.10 -0.77 -0.08 0.00 1.00 0.00 0.00 62.75 63.01 1n4n n ILE 15 Cb 0.40 -0.43 -0.02 0.00 -0.71 0.00 0.00 39.64 38.88 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 -5.36 -0.34 0.27 4.38 3.84 -1.26 -5.05 114.94 111.42 1n4n s ASN 16 Ca -0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 52.86 52.90 1n4n s ASN 16 Cb 0.08 0.40 0.37 0.00 -0.55 0.00 0.00 41.25 41.55 1n4n s ASN 16 CO 0.84 -0.67 1.82 0.50 -2.79 0.00 0.00 177.10 176.80 1n4n h LYS 17 N 2.00 0.87 -0.02 0.43 3.64 -1.95 -3.22 116.57 118.32 1n4n h LYS 17 Ca -0.23 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1n4n h LYS 17 Cb 1.24 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1n4n h LYS 17 CO 0.30 0.78 -0.42 0.87 -2.27 0.00 0.00 179.45 178.70 1n4n h LYS 18 N 0.84 -0.54 -0.84 1.90 1.57 -1.96 0.81 116.57 118.35 1n4n h LYS 18 Ca 0.19 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.20 1n4n h LYS 18 Cb 0.29 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.60 1n4n h LYS 18 CO -0.00 -0.36 0.31 -1.35 -0.57 0.00 0.00 179.45 177.47 1n4n h PRO 19 N -0.56 0.35 0.06 3.15 0.11 -1.98 0.77 132.00 133.89 1n4n h PRO 19 Ca 0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1n4n h PRO 19 Cb 0.65 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1n4n h PRO 19 CO -0.33 0.23 -0.03 0.00 -0.21 0.00 0.00 178.00 177.66 1n4n h VAL 21 N -0.30 0.89 -0.62 0.00 2.07 0.31 0.14 116.25 118.74 1n4n h VAL 21 Ca -0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1n4n h VAL 21 Cb 0.27 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1n4n h VAL 21 CO 0.01 0.10 0.39 0.00 0.02 0.00 0.00 177.57 178.09 1n4n h ALA 22 N 1.36 0.81 -0.31 1.67 0.00 -0.80 0.64 119.26 122.63 1n4n h ALA 22 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1n4n h ALA 22 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1n4n h ALA 22 CO -0.22 0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.38 1n4n h LYS 25 N 0.20 -0.25 0.00 0.00 1.79 0.96 0.85 116.57 120.12 1n4n h LYS 25 Ca 0.03 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1n4n h LYS 25 Cb 0.55 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1n4n h LYS 25 CO 0.04 -0.09 -0.27 1.57 -1.08 0.00 0.00 179.45 179.62 1n4n h LYS 26 N -0.35 0.00 0.00 3.15 2.10 -1.33 -1.68 116.57 118.46 1n4n h LYS 26 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1n4n h LYS 26 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1n4n h LYS 26 CO 0.04 0.27 0.00 0.00 -2.00 0.00 0.00 179.45 177.76 1n4n n ALA 27 N -2.31 2.47 -2.63 0.07 0.00 -0.60 -4.91 120.51 112.59 1n4n n ALA 27 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1n4n n ALA 27 Cb 0.39 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.16 -2.29 -4.32 0.00 4.81 -0.61 -5.03 118.16 109.55 1n4n n LYS 28 Ca 0.17 0.50 -0.22 0.00 -0.87 0.00 0.00 58.31 57.88 1n4n n LYS 28 Cb 0.17 -4.17 -0.11 0.00 0.02 0.00 0.00 35.03 30.93 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 -3.22 1.81 0.06 5.64 0.40 0.19 -5.03 117.98 117.84 1n4n s PHE 29 Ca 0.16 -0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1n4n s PHE 29 Cb -0.02 -0.92 -0.17 0.00 0.51 0.00 0.00 43.02 42.42 1n4n s PHE 29 CO 0.42 0.31 1.58 0.77 0.70 0.00 0.00 175.22 179.01 1n4n h SER 30 N 3.39 -0.07 -4.91 1.36 0.02 -1.71 -3.40 113.55 108.23 1n4n h SER 30 Ca -0.43 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 1n4n h SER 30 Cb 1.20 0.02 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 1n4n h SER 30 CO 0.49 0.08 0.22 -0.62 -1.14 0.00 0.00 176.83 175.86 1n4n s ASP 31 N -5.25 -0.64 0.02 3.07 2.15 -0.46 -4.98 116.67 110.57 1n4n s ASP 31 Ca -0.14 0.70 0.05 0.00 0.43 0.00 0.00 52.55 53.60 1n4n s ASP 31 Cb 0.05 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.17 1n4n s ASP 31 CO 0.65 -0.58 -0.13 -0.83 -0.17 0.00 0.00 175.17 174.11 1n4n s GLY 32 N -1.16 1.63 -0.04 2.66 0.00 -1.26 0.20 107.32 109.35 1n4n s GLY 32 Ca -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1n4n s GLY 32 CO 0.09 -0.98 -0.02 -2.38 0.00 0.00 0.00 173.10 169.82 1n4n s HIS 33 N -0.93 0.51 0.08 1.90 -3.43 0.14 -4.30 115.29 109.27 1n4n s HIS 33 Ca 0.15 -0.09 -0.31 0.00 -0.80 0.00 0.00 55.06 54.01 1n4n s HIS 33 Cb -0.11 -0.53 -0.07 0.00 -1.43 0.00 0.00 32.58 30.44 1n4n s HIS 33 CO 0.06 -0.16 1.37 0.00 -2.00 0.00 0.00 174.74 174.00 1n4n s SER 35 N 1.29 4.90 -0.06 0.00 1.04 0.38 -4.91 113.70 116.34 1n4n s SER 35 Ca 0.64 1.40 0.03 0.00 0.48 0.00 0.00 55.95 58.49 1n4n s SER 35 Cb -0.34 -2.19 -0.25 0.00 0.10 0.00 0.00 66.02 63.34 1n4n s SER 35 CO 0.29 -1.72 0.58 0.50 0.98 0.00 0.00 173.24 173.87 1n4n h LYS 36 N -0.92 0.14 0.12 4.02 3.64 -1.94 -2.48 116.57 119.15 1n4n h LYS 36 Ca -0.46 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 58.70 1n4n h LYS 36 Cb 1.25 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1n4n h LYS 36 CO 0.59 0.87 -0.39 0.82 -2.27 0.00 0.00 179.45 179.07 1n4n h ILE 37 N 0.04 0.20 0.00 2.00 2.04 -1.97 -3.35 117.51 116.47 1n4n h ILE 37 Ca -0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1n4n h ILE 37 Cb 2.02 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1n4n h ILE 37 CO 0.10 0.00 -0.43 -0.11 0.00 0.00 0.00 178.15 177.71 1n4n n LEU 38 N -5.45 0.22 -2.28 1.44 7.94 -1.26 -4.99 117.00 112.62 1n4n n LEU 38 Ca -0.07 -1.15 -0.16 0.00 -1.11 0.00 0.00 56.01 53.52 1n4n n LEU 38 Cb 0.37 -0.04 -0.02 0.00 0.53 0.00 0.00 43.42 44.26 1n4n n LEU 38 CO 0.20 0.28 -0.20 0.54 -1.11 0.00 0.00 177.39 177.10 1n4n n ARG 39 N -0.13 -1.88 -2.34 1.96 3.00 -0.93 -4.58 116.66 111.76 1n4n n ARG 39 Ca 0.01 0.82 -0.38 0.00 -0.01 0.00 0.00 57.85 58.29 1n4n n ARG 39 Cb 0.68 -5.41 -0.02 0.00 0.00 0.00 0.00 32.46 27.71 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 -4.79 4.13 -0.80 5.56 0.52 -1.26 -1.04 118.95 121.27 1n4n s ARG 40 Ca 0.00 1.80 -0.26 0.00 -0.52 0.00 0.00 55.73 56.76 1n4n s ARG 40 Cb 0.00 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.77 1n4n s ARG 40 CO 0.00 -0.24 1.51 0.00 0.02 0.00 0.00 175.30 176.59 1n4n s LEU 42 N 6.73 4.02 -0.08 0.00 1.02 -0.11 -0.75 118.68 129.51 1n4n s LEU 42 Ca 0.48 0.61 -0.16 0.00 0.02 0.00 0.00 54.13 55.08 1n4n s LEU 42 Cb -0.07 -3.24 -0.05 0.00 0.02 0.00 0.00 46.19 42.86 1n4n s LEU 42 CO 0.08 -0.81 0.43 0.00 0.02 0.00 0.00 176.35 176.08 1n4n s THR 44 N -0.01 1.67 0.00 0.00 -4.23 0.13 -0.63 115.64 112.57 1n4n s THR 44 Ca 0.24 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1n4n s THR 44 Cb -0.15 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1n4n s THR 44 CO 0.11 0.46 0.00 2.29 -0.54 0.00 0.00 174.62 176.94 1n4n n LYS 45 N 2.53 0.00 -4.48 3.99 2.85 0.22 -1.36 118.16 121.91 1n4n n LYS 45 Ca -0.15 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.90 1n4n n LYS 45 Cb 0.53 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.77 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 1.38 1.03 0.00 -1.58 4.04 -1.26 -1.11 118.70 121.20 1n4n s GLU 46 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 54.97 54.34 1n4n s GLU 46 Cb 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 34.13 33.12 1n4n s GLU 46 CO 0.00 0.27 0.00 0.00 -1.84 0.00 0.00 175.26 173.69