#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 2.85 -0.16 0.00 2.01 -1.26 -0.61 115.64 118.47 1n4n s THR 2 Ca 0.00 -1.38 -0.14 0.00 0.31 0.00 0.00 61.69 60.48 1n4n s THR 2 Cb 0.00 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1n4n s THR 2 CO 0.00 -0.06 0.30 0.00 -0.69 0.00 0.00 174.62 174.17 1n4n s LYS 4 N 0.49 2.87 -0.28 0.00 2.20 -1.26 -0.76 119.74 123.01 1n4n s LYS 4 Ca 0.17 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.89 1n4n s LYS 4 Cb -0.13 -2.47 0.08 0.00 -1.51 0.00 0.00 37.83 33.80 1n4n s LYS 4 CO 0.04 0.44 0.71 0.00 -0.36 0.00 0.00 175.35 176.18 1n4n s ALA 5 N -0.26 -1.86 0.29 3.13 0.00 0.63 -4.96 121.76 118.73 1n4n s ALA 5 Ca 0.01 2.32 -0.29 0.00 0.00 0.00 0.00 51.96 54.00 1n4n s ALA 5 Cb -0.13 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1n4n s ALA 5 CO 0.03 -0.37 1.35 -1.21 0.00 0.00 0.00 175.76 175.56 1n4n s GLU 6 N 1.30 4.33 -0.01 0.00 8.01 -1.25 -0.83 118.70 130.23 1n4n s GLU 6 Ca -0.07 2.22 -0.36 0.00 0.01 0.00 0.00 54.97 56.77 1n4n s GLU 6 Cb -0.05 -3.10 -0.15 0.00 -4.31 0.00 0.00 34.13 26.53 1n4n s GLU 6 CO -0.14 -0.27 1.61 0.00 0.01 0.00 0.00 175.26 176.47 1n4n h PRO 8 N 6.55 0.76 -2.05 0.00 0.11 -1.92 -2.61 132.00 132.85 1n4n h PRO 8 Ca -0.47 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 1n4n h PRO 8 Cb 1.30 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 1n4n h PRO 8 CO 0.89 0.50 0.36 0.25 -0.21 0.00 0.00 178.00 179.78 1n4n n THR 9 N -4.74 3.36 -3.74 -1.15 -2.24 -1.26 -4.81 114.28 99.70 1n4n n THR 9 Ca 0.11 -2.68 -0.25 0.00 -2.27 0.00 0.00 64.05 58.95 1n4n n THR 9 Cb 0.20 -1.74 -0.17 0.00 -2.10 0.00 0.00 70.33 66.52 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 -0.94 0.75 -0.43 4.78 -0.11 -0.98 -5.02 118.94 116.98 1n4n s TRP 10 Ca 0.61 -0.42 0.08 0.00 1.22 0.00 0.00 56.10 57.59 1n4n s TRP 10 Cb 0.35 -0.87 0.31 0.00 -1.50 0.00 0.00 33.47 31.76 1n4n s TRP 10 CO -0.16 -0.44 0.87 -3.47 -4.62 0.00 0.00 176.95 169.13 1n4n n ASP 11 N 5.12 -1.06 -3.54 5.86 2.03 -1.26 -4.96 116.55 118.75 1n4n n ASP 11 Ca -0.08 -3.28 -0.11 0.00 0.52 0.00 0.00 54.79 51.85 1n4n n ASP 11 Cb 0.49 0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 41.60 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1n4n s SER 12 N -1.70 -0.46 -0.31 1.67 0.01 -1.26 -5.12 113.70 106.52 1n4n s SER 12 Ca 0.31 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.11 1n4n s SER 12 Cb 0.28 0.60 0.01 0.00 0.21 0.00 0.00 66.02 67.13 1n4n s SER 12 CO -0.10 -1.02 1.20 -0.69 0.41 0.00 0.00 173.24 173.04 1n4n s VAL 13 N -3.79 4.29 0.21 3.43 1.01 -1.26 -4.75 120.40 119.54 1n4n s VAL 13 Ca 0.03 1.47 -0.19 0.00 0.00 0.00 0.00 61.98 63.30 1n4n s VAL 13 Cb -0.01 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1n4n s VAL 13 CO -0.09 -0.50 0.69 0.00 0.00 0.00 0.00 175.10 175.21 1n4n n ILE 15 N 0.75 0.51 -2.86 0.00 5.41 -1.26 -4.84 119.36 117.07 1n4n n ILE 15 Ca -0.03 0.17 -0.35 0.00 1.00 0.00 0.00 62.75 63.54 1n4n n ILE 15 Cb 0.51 -0.94 -0.07 0.00 -0.71 0.00 0.00 39.64 38.43 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 -5.35 7.12 0.19 4.38 3.84 -1.26 -4.98 114.94 118.88 1n4n s ASN 16 Ca 0.00 1.69 0.10 0.00 0.21 0.00 0.00 52.86 54.86 1n4n s ASN 16 Cb 0.00 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.19 1n4n s ASN 16 CO 0.00 -0.17 1.41 0.11 -2.79 0.00 0.00 177.10 175.66 1n4n h LYS 17 N 2.69 0.00 -0.33 0.43 1.79 -1.98 -3.35 116.57 115.83 1n4n h LYS 17 Ca -0.48 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.07 1n4n h LYS 17 Cb 1.19 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.76 1n4n h LYS 17 CO 0.64 0.80 -0.19 -0.22 -1.08 0.00 0.00 179.45 179.40 1n4n h LYS 18 N 0.00 -0.13 -0.86 3.15 3.64 -1.94 -1.37 116.57 119.06 1n4n h LYS 18 Ca -0.01 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 1n4n h LYS 18 Cb 1.50 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 33.24 1n4n h LYS 18 CO 0.10 -0.09 0.38 -1.35 -2.27 0.00 0.00 179.45 176.22 1n4n h PRO 19 N -0.14 0.44 0.13 1.90 0.11 -2.00 -0.33 132.00 132.11 1n4n h PRO 19 Ca 0.17 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1n4n h PRO 19 Cb 0.40 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1n4n h PRO 19 CO -0.42 0.29 -0.06 0.00 -0.21 0.00 0.00 178.00 177.59 1n4n h VAL 21 N -0.45 0.86 -0.46 0.00 2.07 -0.36 0.26 116.25 118.16 1n4n h VAL 21 Ca -0.02 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1n4n h VAL 21 Cb 0.36 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1n4n h VAL 21 CO 0.03 0.15 0.18 0.00 0.02 0.00 0.00 177.57 177.95 1n4n h ALA 22 N 1.53 0.60 -0.50 1.67 0.00 -0.99 0.24 119.26 121.81 1n4n h ALA 22 Ca 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1n4n h ALA 22 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1n4n h ALA 22 CO -0.29 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.42 1n4n h LYS 25 N 0.86 0.44 0.00 0.00 6.56 -0.30 0.14 116.57 124.27 1n4n h LYS 25 Ca 0.16 -0.07 -0.07 0.00 -1.06 0.00 0.00 60.65 59.61 1n4n h LYS 25 Cb 0.52 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1n4n h LYS 25 CO 0.03 0.44 -0.32 1.57 -2.06 0.00 0.00 179.45 179.10 1n4n h LYS 26 N 0.34 0.00 0.00 3.15 2.10 -1.30 -1.64 116.57 119.22 1n4n h LYS 26 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1n4n h LYS 26 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1n4n h LYS 26 CO -0.01 0.32 0.00 0.00 -2.00 0.00 0.00 179.45 177.76 1n4n n ALA 27 N -2.44 2.55 -3.05 0.07 0.00 -0.63 -4.87 120.51 112.14 1n4n n ALA 27 Ca -0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1n4n n ALA 27 Cb 0.38 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.78 -4.20 -4.14 0.00 4.81 -0.61 -5.04 118.16 108.20 1n4n n LYS 28 Ca 0.13 0.46 -0.31 0.00 -0.87 0.00 0.00 58.31 57.72 1n4n n LYS 28 Cb 0.06 -4.39 -0.08 0.00 0.02 0.00 0.00 35.03 30.64 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 -3.14 3.09 0.25 5.64 0.40 0.44 -5.00 117.98 119.66 1n4n s PHE 29 Ca 0.31 0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.64 1n4n s PHE 29 Cb -0.13 -1.60 0.41 0.00 0.51 0.00 0.00 43.02 42.20 1n4n s PHE 29 CO 0.38 0.49 1.82 0.77 0.70 0.00 0.00 175.22 179.38 1n4n h SER 30 N 3.64 0.76 -5.62 1.36 0.02 -1.66 -3.37 113.55 108.68 1n4n h SER 30 Ca -0.48 0.04 0.27 0.00 -0.84 0.00 0.00 61.79 60.78 1n4n h SER 30 Cb 1.17 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.50 1n4n h SER 30 CO 0.61 0.44 0.71 -0.62 -1.14 0.00 0.00 176.83 176.83 1n4n s ASP 31 N -5.66 -0.09 0.03 3.07 2.15 -0.75 -4.96 116.67 110.45 1n4n s ASP 31 Ca -0.12 -0.25 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 1n4n s ASP 31 Cb 0.20 0.28 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1n4n s ASP 31 CO 0.79 -0.53 0.01 -0.83 -0.17 0.00 0.00 175.17 174.44 1n4n s GLY 32 N -3.02 0.26 -0.04 2.66 0.00 -1.26 -0.20 107.32 105.72 1n4n s GLY 32 Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1n4n s GLY 32 CO -0.01 -0.77 -0.02 -2.38 0.00 0.00 0.00 173.10 169.91 1n4n s HIS 33 N -2.17 0.59 0.04 1.90 -3.43 0.10 -4.29 115.29 108.03 1n4n s HIS 33 Ca -0.09 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.73 1n4n s HIS 33 Cb -0.04 -0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 30.45 1n4n s HIS 33 CO -0.03 -0.18 1.45 0.00 -2.00 0.00 0.00 174.74 173.97 1n4n s SER 35 N 1.78 6.95 0.06 0.00 1.04 -0.39 -4.92 113.70 118.22 1n4n s SER 35 Ca 0.66 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.89 1n4n s SER 35 Cb -0.35 -2.52 -0.15 0.00 0.10 0.00 0.00 66.02 63.10 1n4n s SER 35 CO 0.29 -0.32 0.89 0.50 0.98 0.00 0.00 173.24 175.58 1n4n h LYS 36 N 2.05 0.00 0.00 4.02 3.64 -1.94 -3.13 116.57 121.21 1n4n h LYS 36 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1n4n h LYS 36 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1n4n h LYS 36 CO 0.62 0.46 0.00 -0.89 -2.27 0.00 0.00 179.45 177.36 1n4n n ILE 37 N -3.03 0.00 1.04 2.00 5.41 -1.26 -4.29 119.36 119.23 1n4n n ILE 37 Ca -0.10 0.67 0.12 0.00 1.00 0.00 0.00 62.75 64.44 1n4n n ILE 37 Cb 0.91 -1.43 0.33 0.00 -0.71 0.00 0.00 39.64 38.74 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 -0.37 2.20 -1.96 1.39 7.94 -1.26 -4.93 117.00 120.01 1n4n n LEU 38 Ca 0.00 -0.88 -0.18 0.00 -1.11 0.00 0.00 56.01 53.84 1n4n n LEU 38 Cb 0.00 -0.11 -0.02 0.00 0.53 0.00 0.00 43.42 43.82 1n4n n LEU 38 CO 0.00 0.44 -0.22 0.54 -1.11 0.00 0.00 177.39 177.04 1n4n n ARG 39 N 0.68 -1.41 -3.20 1.96 3.00 -1.18 -4.82 116.66 111.69 1n4n n ARG 39 Ca 0.17 0.90 -0.31 0.00 -0.01 0.00 0.00 57.85 58.60 1n4n n ARG 39 Cb 0.43 -5.37 -0.05 0.00 0.00 0.00 0.00 32.46 27.47 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 -4.73 3.85 -0.70 5.56 0.52 -1.26 -2.45 118.95 119.74 1n4n s ARG 40 Ca 0.00 0.42 -0.26 0.00 -0.52 0.00 0.00 55.73 55.37 1n4n s ARG 40 Cb 0.00 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.99 1n4n s ARG 40 CO 0.00 0.18 1.18 0.00 0.02 0.00 0.00 175.30 176.68 1n4n s LEU 42 N 5.20 4.08 -0.04 0.00 1.02 -0.63 -0.43 118.68 127.88 1n4n s LEU 42 Ca 0.33 0.32 -0.09 0.00 0.02 0.00 0.00 54.13 54.71 1n4n s LEU 42 Cb -0.10 -3.12 -0.05 0.00 0.02 0.00 0.00 46.19 42.94 1n4n s LEU 42 CO 0.15 -0.85 0.27 0.00 0.02 0.00 0.00 176.35 175.94 1n4n s THR 44 N -1.14 1.46 0.21 0.00 -4.23 0.72 -0.27 115.64 112.39 1n4n s THR 44 Ca 0.22 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1n4n s THR 44 Cb -0.14 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.48 1n4n s THR 44 CO 0.11 0.41 0.41 -1.59 -0.54 0.00 0.00 174.62 173.43 1n4n s LYS 45 N -0.37 1.39 0.31 3.99 -2.85 0.06 -1.82 119.74 120.46 1n4n s LYS 45 Ca 0.06 -1.19 -0.27 0.00 -1.00 0.00 0.00 55.97 53.57 1n4n s LYS 45 Cb -0.08 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 1n4n s LYS 45 CO -0.00 -0.56 0.99 -1.83 0.10 0.00 0.00 175.35 174.04 1n4n s GLU 46 N -3.99 4.57 0.00 1.78 1.03 -1.26 -0.03 118.70 120.81 1n4n s GLU 46 Ca 0.20 1.47 0.00 0.00 0.03 0.00 0.00 54.97 56.67 1n4n s GLU 46 Cb 0.01 -2.91 0.00 0.00 -0.80 0.00 0.00 34.13 30.42 1n4n s GLU 46 CO 0.05 0.24 0.00 0.00 -1.33 0.00 0.00 175.26 174.22