#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 5.24 -0.05 0.00 2.01 -1.26 -0.92 115.64 120.65 1n4n s THR 2 Ca 0.00 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 1n4n s THR 2 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1n4n s THR 2 CO 0.00 -0.23 0.55 0.00 -0.69 0.00 0.00 174.62 174.25 1n4n s LYS 4 N 0.18 2.60 -0.28 0.00 2.36 -1.26 -0.86 119.74 122.49 1n4n s LYS 4 Ca 0.29 -0.77 -0.20 0.00 -2.55 0.00 0.00 55.97 52.74 1n4n s LYS 4 Cb -0.17 -2.04 0.08 0.00 -1.05 0.00 0.00 37.83 34.65 1n4n s LYS 4 CO 0.14 0.19 0.73 0.00 1.55 0.00 0.00 175.35 177.96 1n4n s ALA 5 N 0.30 -1.86 0.34 3.13 0.00 0.31 -4.96 121.76 119.01 1n4n s ALA 5 Ca -0.15 2.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.76 1n4n s ALA 5 Cb -0.16 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 1n4n s ALA 5 CO 0.07 -0.36 1.35 -1.21 0.00 0.00 0.00 175.76 175.61 1n4n s GLU 6 N 1.05 4.30 -0.02 0.00 8.01 -1.26 -0.55 118.70 130.23 1n4n s GLU 6 Ca -0.05 2.29 -0.36 0.00 0.01 0.00 0.00 54.97 56.87 1n4n s GLU 6 Cb -0.05 -3.05 -0.14 0.00 -4.31 0.00 0.00 34.13 26.58 1n4n s GLU 6 CO -0.11 -0.27 1.68 0.00 0.01 0.00 0.00 175.26 176.58 1n4n h PRO 8 N 7.14 0.71 -1.79 0.00 0.11 -1.92 -1.94 132.00 134.30 1n4n h PRO 8 Ca -0.47 -0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.13 1n4n h PRO 8 Cb 1.28 -0.16 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1n4n h PRO 8 CO 0.91 0.47 0.45 0.25 -0.21 0.00 0.00 178.00 179.86 1n4n n THR 9 N -4.78 3.18 -3.68 -1.15 -2.24 -1.26 -4.82 114.28 99.52 1n4n n THR 9 Ca 0.13 -2.61 -0.17 0.00 -2.27 0.00 0.00 64.05 59.13 1n4n n THR 9 Cb 0.29 -1.48 -0.16 0.00 -2.10 0.00 0.00 70.33 66.88 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 -1.94 -0.12 -0.40 4.78 -0.11 -0.73 -5.03 118.94 115.39 1n4n s TRP 10 Ca 0.50 0.51 0.10 0.00 1.22 0.00 0.00 56.10 58.43 1n4n s TRP 10 Cb 0.35 -0.28 0.36 0.00 -1.50 0.00 0.00 33.47 32.39 1n4n s TRP 10 CO -0.15 -0.24 1.00 -3.47 -4.62 0.00 0.00 176.95 169.47 1n4n n ASP 11 N 5.15 -0.72 -3.34 5.86 2.03 -1.26 -4.84 116.55 119.43 1n4n n ASP 11 Ca -0.08 -3.16 -0.12 0.00 0.52 0.00 0.00 54.79 51.95 1n4n n ASP 11 Cb 0.50 0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 41.49 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 -1.89 0.52 -0.29 1.67 0.01 -1.26 -5.13 113.70 107.33 1n4n s SER 12 Ca 0.29 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 55.96 1n4n s SER 12 Cb 0.35 0.68 0.01 0.00 0.21 0.00 0.00 66.02 67.27 1n4n s SER 12 CO -0.05 -1.34 1.14 -0.69 0.41 0.00 0.00 173.24 172.70 1n4n s VAL 13 N -3.11 4.44 -0.32 3.43 1.01 -1.26 -4.38 120.40 120.20 1n4n s VAL 13 Ca 0.26 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.70 1n4n s VAL 13 Cb -0.01 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 1n4n s VAL 13 CO 0.16 -0.40 0.68 0.00 0.00 0.00 0.00 175.10 175.54 1n4n n ILE 15 N 5.50 0.69 -3.40 0.00 5.41 -1.26 -4.74 119.36 121.55 1n4n n ILE 15 Ca 0.00 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1n4n n ILE 15 Cb 0.49 -1.67 -0.06 0.00 -0.71 0.00 0.00 39.64 37.69 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 -5.82 6.82 0.19 4.38 2.47 -1.26 -4.98 114.94 116.74 1n4n s ASN 16 Ca -0.11 1.04 -0.11 0.00 0.42 0.00 0.00 52.86 54.09 1n4n s ASN 16 Cb 0.04 -2.27 0.12 0.00 -1.45 0.00 0.00 41.25 37.69 1n4n s ASN 16 CO 0.15 0.17 1.81 0.50 -3.72 0.00 0.00 177.10 176.01 1n4n h LYS 17 N 3.86 0.96 -0.12 0.43 1.63 -1.95 -3.27 116.57 118.10 1n4n h LYS 17 Ca -0.49 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 59.25 1n4n h LYS 17 Cb 1.20 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 1n4n h LYS 17 CO 0.65 0.71 -0.34 -0.22 -3.45 0.00 0.00 179.45 176.80 1n4n h LYS 18 N 0.95 -0.41 -0.75 1.90 3.64 -1.94 -1.28 116.57 118.67 1n4n h LYS 18 Ca 0.24 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 1n4n h LYS 18 Cb 0.03 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.83 1n4n h LYS 18 CO -0.04 -0.27 0.20 -1.35 -2.27 0.00 0.00 179.45 175.71 1n4n h PRO 19 N -0.42 0.27 -0.05 1.90 0.11 -1.99 0.13 132.00 131.96 1n4n h PRO 19 Ca 0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1n4n h PRO 19 Cb 0.57 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1n4n h PRO 19 CO -0.36 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.62 1n4n h VAL 21 N -0.18 1.05 -0.04 0.00 2.07 -0.32 0.15 116.25 118.99 1n4n h VAL 21 Ca 0.01 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1n4n h VAL 21 Cb 0.30 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1n4n h VAL 21 CO 0.00 0.19 0.02 0.00 0.02 0.00 0.00 177.57 177.80 1n4n h ALA 22 N 1.50 0.05 -0.54 1.67 0.00 -0.61 0.42 119.26 121.75 1n4n h ALA 22 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n4n h ALA 22 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n4n h ALA 22 CO -0.16 -0.38 0.34 0.00 0.00 0.00 0.00 179.25 179.05 1n4n h LYS 25 N 0.77 0.53 -0.02 0.00 1.63 0.25 0.42 116.57 120.15 1n4n h LYS 25 Ca 0.13 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 1n4n h LYS 25 Cb 0.61 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1n4n h LYS 25 CO 0.04 0.58 -0.35 1.57 -3.45 0.00 0.00 179.45 177.85 1n4n h LYS 26 N 0.39 0.04 0.00 1.90 2.10 -1.29 -1.12 116.57 118.58 1n4n h LYS 26 Ca 0.11 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1n4n h LYS 26 Cb 0.28 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1n4n h LYS 26 CO -0.00 0.38 0.00 0.00 -2.00 0.00 0.00 179.45 177.83 1n4n n ALA 27 N -2.47 2.10 -2.34 0.07 0.00 -0.59 -4.87 120.51 112.39 1n4n n ALA 27 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1n4n n ALA 27 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.31 -0.29 -4.18 0.00 4.81 -0.42 -5.05 118.16 111.71 1n4n n LYS 28 Ca 0.09 0.05 -0.30 0.00 -0.87 0.00 0.00 58.31 57.28 1n4n n LYS 28 Cb 0.18 -3.05 -0.08 0.00 0.02 0.00 0.00 35.03 32.09 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 -2.63 2.96 0.10 5.64 0.40 0.14 -4.98 117.98 119.61 1n4n s PHE 29 Ca 0.02 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.11 1n4n s PHE 29 Cb -0.01 -1.54 -0.10 0.00 0.51 0.00 0.00 43.02 41.88 1n4n s PHE 29 CO 0.02 0.46 1.71 1.03 0.70 0.00 0.00 175.22 179.15 1n4n h SER 30 N 3.62 0.17 -5.01 1.36 0.87 -1.51 -3.34 113.55 109.70 1n4n h SER 30 Ca -0.48 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 59.95 1n4n h SER 30 Cb 1.17 -0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 62.91 1n4n h SER 30 CO 0.58 0.18 0.02 -0.62 -0.53 0.00 0.00 176.83 176.47 1n4n s ASP 31 N -5.39 -0.44 0.04 6.23 2.15 -0.72 -4.90 116.67 113.64 1n4n s ASP 31 Ca -0.13 0.24 0.09 0.00 0.43 0.00 0.00 52.55 53.17 1n4n s ASP 31 Cb 0.07 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 1n4n s ASP 31 CO 0.69 -0.67 -0.25 -0.83 -0.17 0.00 0.00 175.17 173.94 1n4n s GLY 32 N -1.79 1.31 -0.03 2.66 0.00 -1.26 -0.15 107.32 108.06 1n4n s GLY 32 Ca -0.07 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1n4n s GLY 32 CO 0.01 -1.09 -0.04 -2.38 0.00 0.00 0.00 173.10 169.60 1n4n s HIS 33 N -0.79 0.55 0.19 1.90 -3.43 0.85 -4.11 115.29 110.46 1n4n s HIS 33 Ca 0.10 -0.12 -0.31 0.00 -0.80 0.00 0.00 55.06 53.94 1n4n s HIS 33 Cb -0.10 -0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 30.49 1n4n s HIS 33 CO 0.02 -0.11 1.43 0.00 -2.00 0.00 0.00 174.74 174.08 1n4n s SER 35 N 0.66 6.06 0.10 0.00 0.15 0.79 -4.89 113.70 116.57 1n4n s SER 35 Ca 0.62 1.65 0.16 0.00 0.70 0.00 0.00 55.95 59.08 1n4n s SER 35 Cb -0.40 -2.51 -0.11 0.00 -1.71 0.00 0.00 66.02 61.29 1n4n s SER 35 CO 0.37 -0.98 0.94 0.50 1.20 0.00 0.00 173.24 175.28 1n4n h LYS 36 N 0.32 0.00 0.00 5.44 3.64 -1.93 -3.23 116.57 120.81 1n4n h LYS 36 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1n4n h LYS 36 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1n4n h LYS 36 CO 0.59 0.35 0.00 -0.89 -2.27 0.00 0.00 179.45 177.23 1n4n n ILE 37 N -2.96 0.00 1.29 2.00 5.41 -1.26 -4.41 119.36 119.43 1n4n n ILE 37 Ca -0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.69 1n4n n ILE 37 Cb 0.83 -0.50 0.05 0.00 -0.71 0.00 0.00 39.64 39.32 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 1.02 -2.33 1.39 7.94 -1.26 -4.85 117.00 118.91 1n4n n LEU 38 Ca 0.00 -0.51 -0.19 0.00 -1.11 0.00 0.00 56.01 54.20 1n4n n LEU 38 Cb 0.00 -0.25 -0.02 0.00 0.53 0.00 0.00 43.42 43.69 1n4n n LEU 38 CO 0.00 0.21 -0.24 0.54 -1.11 0.00 0.00 177.39 176.79 1n4n n ARG 39 N -0.07 -1.76 -2.37 1.96 3.00 -1.22 -4.68 116.66 111.51 1n4n n ARG 39 Ca 0.04 0.95 -0.34 0.00 -0.01 0.00 0.00 57.85 58.49 1n4n n ARG 39 Cb 0.21 -5.58 -0.01 0.00 0.00 0.00 0.00 32.46 27.08 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 -4.91 3.57 -0.57 5.56 0.52 -1.26 -0.08 118.95 121.77 1n4n s ARG 40 Ca 0.00 1.44 -0.28 0.00 -0.52 0.00 0.00 55.73 56.37 1n4n s ARG 40 Cb 0.00 -2.05 0.03 0.00 0.52 0.00 0.00 34.95 33.45 1n4n s ARG 40 CO 0.00 -0.64 1.16 0.00 0.02 0.00 0.00 175.30 175.84 1n4n s LEU 42 N 4.82 4.08 -0.14 0.00 1.02 0.03 -0.90 118.68 127.58 1n4n s LEU 42 Ca 0.42 0.84 -0.10 0.00 0.02 0.00 0.00 54.13 55.31 1n4n s LEU 42 Cb -0.08 -3.03 -0.05 0.00 0.02 0.00 0.00 46.19 43.06 1n4n s LEU 42 CO 0.25 -0.47 0.19 0.00 0.02 0.00 0.00 176.35 176.34 1n4n s THR 44 N -0.42 1.75 0.31 0.00 -4.23 0.79 -0.53 115.64 113.30 1n4n s THR 44 Ca 0.14 -1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 59.50 1n4n s THR 44 Cb -0.12 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.27 1n4n s THR 44 CO 0.03 0.44 0.63 -1.59 -0.54 0.00 0.00 174.62 173.59 1n4n s LYS 45 N -0.67 1.86 0.39 3.99 -2.85 -0.04 -1.41 119.74 121.01 1n4n s LYS 45 Ca 0.09 -1.30 -0.23 0.00 -1.00 0.00 0.00 55.97 53.52 1n4n s LYS 45 Cb -0.09 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.13 1n4n s LYS 45 CO -0.00 -0.83 0.98 -1.83 0.10 0.00 0.00 175.35 173.77 1n4n s GLU 46 N -3.39 4.28 0.00 1.78 1.03 -1.26 -0.39 118.70 120.76 1n4n s GLU 46 Ca 0.18 1.30 0.00 0.00 0.03 0.00 0.00 54.97 56.49 1n4n s GLU 46 Cb -0.03 -2.45 0.00 0.00 -0.80 0.00 0.00 34.13 30.84 1n4n s GLU 46 CO 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 175.26 174.04