#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 -0.30 -0.06 0.00 2.01 -1.24 -3.94 115.64 112.10 1n4n s THR 2 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1n4n s THR 2 Cb 0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1n4n s THR 2 CO 0.00 0.05 -0.15 0.00 -0.69 0.00 0.00 174.62 173.82 1n4n s LYS 4 N -0.49 0.99 -0.27 0.00 2.36 -1.26 -0.70 119.74 120.37 1n4n s LYS 4 Ca 0.06 -0.16 -0.21 0.00 -2.55 0.00 0.00 55.97 53.12 1n4n s LYS 4 Cb -0.12 -0.95 0.07 0.00 -1.05 0.00 0.00 37.83 35.79 1n4n s LYS 4 CO 0.02 -0.06 0.70 0.00 1.55 0.00 0.00 175.35 177.55 1n4n s ALA 5 N 0.88 -1.80 0.32 3.13 0.00 0.04 -4.96 121.76 119.37 1n4n s ALA 5 Ca -0.12 2.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.74 1n4n s ALA 5 Cb -0.15 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.59 1n4n s ALA 5 CO 0.01 -0.35 1.38 -1.21 0.00 0.00 0.00 175.76 175.59 1n4n s GLU 6 N 0.96 4.28 0.02 0.00 8.01 -1.26 -0.60 118.70 130.11 1n4n s GLU 6 Ca -0.05 2.32 -0.36 0.00 0.01 0.00 0.00 54.97 56.90 1n4n s GLU 6 Cb -0.05 -3.06 -0.14 0.00 -4.31 0.00 0.00 34.13 26.57 1n4n s GLU 6 CO -0.09 -0.33 1.61 0.00 0.01 0.00 0.00 175.26 176.46 1n4n h PRO 8 N 6.52 0.72 -1.79 0.00 0.11 -1.92 -1.78 132.00 133.85 1n4n h PRO 8 Ca -0.47 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 1n4n h PRO 8 Cb 1.29 -0.16 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1n4n h PRO 8 CO 0.88 0.48 0.42 0.25 -0.21 0.00 0.00 178.00 179.82 1n4n n THR 9 N -4.78 3.14 -3.65 -1.15 -2.24 -1.26 -4.80 114.28 99.54 1n4n n THR 9 Ca 0.14 -2.51 -0.16 0.00 -2.27 0.00 0.00 64.05 59.26 1n4n n THR 9 Cb 0.32 -1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 66.91 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 -1.83 -0.28 -0.38 4.78 -0.11 -0.67 -5.03 118.94 115.42 1n4n s TRP 10 Ca 0.49 0.72 0.12 0.00 1.22 0.00 0.00 56.10 58.65 1n4n s TRP 10 Cb 0.34 -0.18 0.40 0.00 -1.50 0.00 0.00 33.47 32.52 1n4n s TRP 10 CO -0.14 -0.33 1.09 -3.47 -4.62 0.00 0.00 176.95 169.49 1n4n n ASP 11 N 5.33 -0.45 -3.86 5.86 2.03 -1.26 -4.81 116.55 119.40 1n4n n ASP 11 Ca -0.05 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.34 1n4n n ASP 11 Cb 0.50 0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 41.26 1n4n n ASP 11 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1n4n s SER 12 N -2.04 0.01 0.07 1.67 1.04 -1.26 -5.14 113.70 108.05 1n4n s SER 12 Ca 0.26 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.40 1n4n s SER 12 Cb 0.40 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 67.08 1n4n s SER 12 CO -0.04 -1.20 1.02 -0.69 0.98 0.00 0.00 173.24 173.32 1n4n s VAL 13 N -3.82 4.51 0.19 5.02 1.01 -1.26 -4.46 120.40 121.59 1n4n s VAL 13 Ca 0.22 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.81 1n4n s VAL 13 Cb -0.01 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1n4n s VAL 13 CO 0.10 0.22 1.60 0.00 0.00 0.00 0.00 175.10 177.02 1n4n n ILE 15 N 3.73 1.09 -3.55 0.00 2.08 -1.26 -5.03 119.36 116.42 1n4n n ILE 15 Ca 0.13 -0.77 -0.07 0.00 0.56 0.00 0.00 62.75 62.60 1n4n n ILE 15 Cb 0.38 -0.39 -0.02 0.00 -0.75 0.00 0.00 39.64 38.86 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 -5.31 -0.33 0.29 4.38 3.84 -1.26 -5.04 114.94 111.50 1n4n s ASN 16 Ca -0.09 -0.08 0.03 0.00 0.21 0.00 0.00 52.86 52.93 1n4n s ASN 16 Cb 0.08 0.41 0.43 0.00 -0.55 0.00 0.00 41.25 41.63 1n4n s ASN 16 CO 0.85 -0.69 1.72 0.50 -2.79 0.00 0.00 177.10 176.69 1n4n h LYS 17 N 2.00 0.43 -0.02 0.43 3.64 -1.95 -3.25 116.57 117.84 1n4n h LYS 17 Ca -0.23 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1n4n h LYS 17 Cb 1.24 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1n4n h LYS 17 CO 0.30 0.67 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.54 1n4n h LYS 18 N 0.37 -0.51 -0.76 1.90 3.11 -1.96 0.11 116.57 118.83 1n4n h LYS 18 Ca 0.05 0.04 0.15 0.00 -2.81 0.00 0.00 60.65 58.08 1n4n h LYS 18 Cb 0.69 0.12 -0.10 0.00 -1.00 0.00 0.00 32.23 31.93 1n4n h LYS 18 CO 0.05 -0.34 0.29 -1.35 -2.81 0.00 0.00 179.45 175.28 1n4n h PRO 19 N -0.53 0.40 0.16 1.90 0.11 -1.98 0.27 132.00 132.33 1n4n h PRO 19 Ca 0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1n4n h PRO 19 Cb 0.62 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1n4n h PRO 19 CO -0.32 0.27 -0.08 0.00 -0.21 0.00 0.00 178.00 177.66 1n4n h VAL 21 N -0.31 1.07 -0.53 0.00 2.07 -0.06 0.68 116.25 119.17 1n4n h VAL 21 Ca -0.02 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1n4n h VAL 21 Cb 0.25 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1n4n h VAL 21 CO 0.04 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.12 1n4n h ALA 22 N 1.47 0.68 -0.42 1.67 0.00 -0.72 0.38 119.26 122.33 1n4n h ALA 22 Ca 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1n4n h ALA 22 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1n4n h ALA 22 CO -0.17 0.20 0.17 0.00 0.00 0.00 0.00 179.25 179.45 1n4n h LYS 25 N 0.79 0.72 0.00 0.00 1.79 0.10 0.34 116.57 120.31 1n4n h LYS 25 Ca 0.16 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1n4n h LYS 25 Cb 0.42 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1n4n h LYS 25 CO 0.01 0.74 -0.25 1.57 -1.08 0.00 0.00 179.45 180.45 1n4n h LYS 26 N 0.59 0.00 -0.00 3.15 5.09 -1.16 -1.41 116.57 122.82 1n4n h LYS 26 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.88 1n4n h LYS 26 Cb 0.36 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.69 1n4n h LYS 26 CO 0.01 0.25 -0.04 0.00 -2.09 0.00 0.00 179.45 177.58 1n4n n ALA 27 N -2.30 2.68 -2.70 0.07 0.00 -0.58 -4.92 120.51 112.75 1n4n n ALA 27 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 1n4n n ALA 27 Cb 0.38 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.71 -2.75 -4.43 0.00 4.81 -0.53 -5.04 118.16 109.51 1n4n n LYS 28 Ca 0.19 0.32 -0.30 0.00 -0.87 0.00 0.00 58.31 57.65 1n4n n LYS 28 Cb 0.23 -3.79 -0.11 0.00 0.02 0.00 0.00 35.03 31.38 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 -3.13 2.61 0.15 5.64 0.40 0.11 -5.00 117.98 118.76 1n4n s PHE 29 Ca 0.10 -0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 56.04 1n4n s PHE 29 Cb -0.04 -1.43 0.04 0.00 0.51 0.00 0.00 43.02 42.10 1n4n s PHE 29 CO 0.28 0.35 1.76 0.77 0.70 0.00 0.00 175.22 179.07 1n4n h SER 30 N 4.06 0.15 -4.07 1.36 0.02 -1.60 -3.37 113.55 110.10 1n4n h SER 30 Ca -0.49 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1n4n h SER 30 Cb 1.16 0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.49 1n4n h SER 30 CO 0.48 0.13 0.33 -0.62 -1.14 0.00 0.00 176.83 176.01 1n4n s ASP 31 N -5.37 -0.56 -0.06 3.07 -1.08 -0.72 -4.97 116.67 106.99 1n4n s ASP 31 Ca -0.13 0.86 -0.00 0.00 -0.52 0.00 0.00 52.55 52.76 1n4n s ASP 31 Cb 0.11 0.80 -0.03 0.00 -1.46 0.00 0.00 42.92 42.34 1n4n s ASP 31 CO 0.71 -0.34 -0.02 -0.83 0.52 0.00 0.00 175.17 175.21 1n4n s GLY 32 N -0.41 1.82 -0.04 2.66 0.00 -1.26 -0.52 107.32 109.57 1n4n s GLY 32 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1n4n s GLY 32 CO 0.02 -0.65 -0.06 -2.38 0.00 0.00 0.00 173.10 170.02 1n4n s HIS 33 N -0.92 0.83 0.30 1.90 -3.43 0.15 -4.30 115.29 109.81 1n4n s HIS 33 Ca 0.15 -0.23 -0.29 0.00 -0.80 0.00 0.00 55.06 53.89 1n4n s HIS 33 Cb -0.11 -0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 30.26 1n4n s HIS 33 CO 0.04 -0.17 1.09 0.00 -2.00 0.00 0.00 174.74 173.70 1n4n n SER 35 N 1.02 -0.10 -0.00 0.00 3.41 0.03 -4.86 113.62 113.11 1n4n n SER 35 Ca -0.00 -0.46 0.02 0.00 -0.26 0.00 0.00 58.87 58.16 1n4n n SER 35 Cb 0.45 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1n4n n SER 35 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1n4n n LYS 36 N -0.56 0.65 0.00 4.33 2.85 -1.26 -4.49 118.16 119.67 1n4n n LYS 36 Ca 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1n4n n LYS 36 Cb 0.00 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1n4n n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n4n n ILE 37 N -1.56 0.00 1.16 0.58 5.41 -1.26 -4.51 119.36 119.18 1n4n n ILE 37 Ca -0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1n4n n ILE 37 Cb 0.08 -0.10 0.58 0.00 -0.71 0.00 0.00 39.64 39.49 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 -1.73 1.39 7.94 -1.26 -4.84 117.00 118.50 1n4n n LEU 38 Ca 0.00 0.14 -0.14 0.00 -1.11 0.00 0.00 56.01 54.90 1n4n n LEU 38 Cb 0.00 -0.14 0.01 0.00 0.53 0.00 0.00 43.42 43.82 1n4n n LEU 38 CO 0.00 -0.05 -0.10 -1.14 -1.11 0.00 0.00 177.39 174.99 1n4n n ARG 39 N -1.14 -1.94 -1.98 1.96 3.00 -1.26 -4.46 116.66 110.85 1n4n n ARG 39 Ca 0.13 0.62 -0.34 0.00 -0.00 0.00 0.00 57.85 58.26 1n4n n ARG 39 Cb 0.12 -4.84 0.03 0.00 0.00 0.00 0.00 32.46 27.76 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 -4.92 3.02 -0.61 -0.14 0.52 -1.26 -1.92 118.95 113.64 1n4n s ARG 40 Ca 0.08 1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 56.56 1n4n s ARG 40 Cb -0.04 -1.97 0.04 0.00 0.52 0.00 0.00 34.95 33.50 1n4n s ARG 40 CO 0.10 -1.10 1.13 0.00 0.02 0.00 0.00 175.30 175.45 1n4n s LEU 42 N 4.78 4.09 -0.13 0.00 1.02 0.68 -1.29 118.68 127.83 1n4n s LEU 42 Ca 0.37 0.66 -0.15 0.00 0.02 0.00 0.00 54.13 55.03 1n4n s LEU 42 Cb -0.09 -3.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.02 1n4n s LEU 42 CO 0.21 -0.59 0.36 0.00 0.02 0.00 0.00 176.35 176.35 1n4n s THR 44 N 0.28 2.95 0.21 0.00 -4.23 0.32 -0.78 115.64 114.39 1n4n s THR 44 Ca 0.20 -1.08 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1n4n s THR 44 Cb -0.14 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1n4n s THR 44 CO 0.07 0.37 0.58 -1.59 -0.54 0.00 0.00 174.62 173.51 1n4n s LYS 45 N -1.37 1.45 0.35 3.99 -2.85 0.12 -1.62 119.74 119.80 1n4n s LYS 45 Ca 0.15 -0.82 -0.25 0.00 -1.00 0.00 0.00 55.97 54.04 1n4n s LYS 45 Cb -0.11 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.12 1n4n s LYS 45 CO 0.05 -0.63 0.96 -1.83 0.10 0.00 0.00 175.35 174.00 1n4n s GLU 46 N -3.86 4.48 0.00 1.78 1.03 -1.26 -0.23 118.70 120.64 1n4n s GLU 46 Ca 0.08 1.30 0.00 0.00 0.03 0.00 0.00 54.97 56.39 1n4n s GLU 46 Cb -0.02 -2.65 0.00 0.00 -0.80 0.00 0.00 34.13 30.66 1n4n s GLU 46 CO -0.02 0.18 0.00 0.00 -1.33 0.00 0.00 175.26 174.09