#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 -0.50 0.03 0.00 2.01 -1.26 -3.24 115.64 112.68 1n4n s THR 2 Ca 0.00 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 1n4n s THR 2 Cb 0.00 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1n4n s THR 2 CO 0.00 -0.30 0.27 0.00 -0.69 0.00 0.00 174.62 173.90 1n4n s LYS 4 N -1.99 0.41 -0.07 0.00 -2.85 -1.25 -0.23 119.74 113.76 1n4n s LYS 4 Ca 0.30 0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 55.50 1n4n s LYS 4 Cb -0.13 0.18 0.08 0.00 -2.06 0.00 0.00 37.83 35.90 1n4n s LYS 4 CO 0.19 -0.06 0.73 0.00 0.10 0.00 0.00 175.35 176.31 1n4n s ALA 5 N 0.33 -1.80 0.45 0.59 0.00 0.05 -4.92 121.76 116.47 1n4n s ALA 5 Ca -0.01 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.06 1n4n s ALA 5 Cb -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1n4n s ALA 5 CO -0.01 -0.36 1.37 -1.21 0.00 0.00 0.00 175.76 175.55 1n4n s GLU 6 N -1.18 3.71 0.15 0.00 2.02 -1.26 -0.02 118.70 122.13 1n4n s GLU 6 Ca -0.09 2.29 -0.34 0.00 0.02 0.00 0.00 54.97 56.85 1n4n s GLU 6 Cb -0.00 -2.63 -0.13 0.00 0.10 0.00 0.00 34.13 31.47 1n4n s GLU 6 CO 0.09 -0.75 1.62 0.00 0.02 0.00 0.00 175.26 176.24 1n4n h PRO 8 N 6.29 0.72 -2.03 0.00 0.13 -1.92 -1.89 132.00 133.30 1n4n h PRO 8 Ca -0.45 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 1n4n h PRO 8 Cb 1.25 -0.16 -0.20 0.00 0.13 0.00 0.00 31.00 32.01 1n4n h PRO 8 CO 0.90 0.48 0.68 0.25 -0.23 0.00 0.00 178.00 180.08 1n4n n THR 9 N -4.79 3.52 -3.67 1.56 -2.24 -1.26 -4.86 114.28 102.54 1n4n n THR 9 Ca 0.18 -3.49 -0.11 0.00 -2.27 0.00 0.00 64.05 58.36 1n4n n THR 9 Cb 0.44 -1.50 -0.09 0.00 -2.10 0.00 0.00 70.33 67.08 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 -2.46 -0.74 0.00 4.78 -0.11 -0.71 -5.02 118.94 114.69 1n4n s TRP 10 Ca 0.56 1.63 0.00 0.00 1.22 0.00 0.00 56.10 59.51 1n4n s TRP 10 Cb 0.39 0.34 0.00 0.00 -1.50 0.00 0.00 33.47 32.70 1n4n s TRP 10 CO -0.28 -0.37 0.00 -0.40 -4.62 0.00 0.00 176.95 171.28 1n4n n ASP 11 N 3.53 0.00 -4.17 5.86 5.68 -1.26 -4.76 116.55 121.43 1n4n n ASP 11 Ca -0.18 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.82 1n4n n ASP 11 Cb 0.57 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.82 2.02 -0.06 -1.12 0.01 -1.26 -4.89 113.70 107.59 1n4n s SER 12 Ca 0.00 0.70 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 1n4n s SER 12 Cb 0.00 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 1n4n s SER 12 CO 0.00 -3.45 1.07 -0.69 0.41 0.00 0.00 173.24 170.59 1n4n s VAL 13 N -3.22 4.58 0.22 3.43 1.01 -1.26 -4.50 120.40 120.66 1n4n s VAL 13 Ca 0.69 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 64.24 1n4n s VAL 13 Cb -0.11 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1n4n s VAL 13 CO 0.55 0.04 1.08 0.00 0.00 0.00 0.00 175.10 176.77 1n4n n ILE 15 N 1.85 1.52 -3.92 0.00 5.41 -1.26 -4.99 119.36 117.97 1n4n n ILE 15 Ca 0.01 -0.62 -0.09 0.00 1.00 0.00 0.00 62.75 63.05 1n4n n ILE 15 Cb 0.46 -1.34 -0.09 0.00 -0.71 0.00 0.00 39.64 37.96 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 -6.46 0.19 0.36 4.38 2.47 -1.26 -5.05 114.94 109.56 1n4n s ASN 16 Ca -0.30 -0.62 0.06 0.00 0.42 0.00 0.00 52.86 52.43 1n4n s ASN 16 Cb 0.08 0.27 0.69 0.00 -1.45 0.00 0.00 41.25 40.84 1n4n s ASN 16 CO 0.65 -0.60 1.90 0.50 -3.72 0.00 0.00 177.10 175.83 1n4n h LYS 17 N 3.26 0.42 0.01 0.43 3.64 -1.95 -3.25 116.57 119.13 1n4n h LYS 17 Ca -0.33 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1n4n h LYS 17 Cb 1.18 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1n4n h LYS 17 CO 0.54 0.48 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.55 1n4n h LYS 18 N 0.41 -0.57 -0.97 1.90 3.64 -1.97 0.33 116.57 119.34 1n4n h LYS 18 Ca 0.09 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 1n4n h LYS 18 Cb 0.32 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1n4n h LYS 18 CO 0.01 -0.38 0.58 -1.35 -2.27 0.00 0.00 179.45 176.05 1n4n h PRO 19 N -0.59 0.78 -0.05 1.90 0.11 -1.99 -0.71 132.00 131.45 1n4n h PRO 19 Ca 0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1n4n h PRO 19 Cb 0.66 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1n4n h PRO 19 CO -0.31 0.51 0.02 0.00 -0.21 0.00 0.00 178.00 178.01 1n4n h VAL 21 N -0.07 1.09 -0.31 0.00 2.07 0.10 0.56 116.25 119.69 1n4n h VAL 21 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1n4n h VAL 21 Cb 0.15 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1n4n h VAL 21 CO -0.00 0.19 0.14 0.00 0.02 0.00 0.00 177.57 177.92 1n4n h ALA 22 N 1.51 0.40 -0.48 1.67 0.00 -0.88 0.43 119.26 121.90 1n4n h ALA 22 Ca 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1n4n h ALA 22 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n4n h ALA 22 CO -0.13 -0.03 0.24 0.00 0.00 0.00 0.00 179.25 179.34 1n4n h LYS 25 N 0.69 0.53 0.00 0.00 1.63 0.07 0.30 116.57 119.79 1n4n h LYS 25 Ca 0.14 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 1n4n h LYS 25 Cb 0.50 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1n4n h LYS 25 CO 0.02 0.46 -0.30 1.57 -3.45 0.00 0.00 179.45 177.76 1n4n h LYS 26 N 0.46 0.00 -0.02 1.90 2.10 -1.30 -1.68 116.57 118.03 1n4n h LYS 26 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1n4n h LYS 26 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1n4n h LYS 26 CO -0.02 0.30 0.00 0.00 -2.00 0.00 0.00 179.45 177.73 1n4n n ALA 27 N -2.44 2.54 -2.60 0.07 0.00 -0.64 -4.86 120.51 112.57 1n4n n ALA 27 Ca -0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1n4n n ALA 27 Cb 0.36 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.56 -2.01 -4.44 0.00 4.81 -0.63 -5.03 118.16 110.30 1n4n n LYS 28 Ca 0.07 0.33 -0.31 0.00 -0.87 0.00 0.00 58.31 57.53 1n4n n LYS 28 Cb 0.05 -3.95 -0.11 0.00 0.02 0.00 0.00 35.03 31.03 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 -2.83 2.72 0.06 5.64 0.40 0.10 -4.97 117.98 119.10 1n4n s PHE 29 Ca 0.13 -0.16 -0.17 0.00 -0.60 0.00 0.00 56.93 56.13 1n4n s PHE 29 Cb -0.06 -1.49 -0.15 0.00 0.51 0.00 0.00 43.02 41.83 1n4n s PHE 29 CO 0.16 0.35 1.30 0.77 0.70 0.00 0.00 175.22 178.51 1n4n h SER 30 N 4.19 0.62 -4.14 1.36 0.02 -1.38 -3.30 113.55 110.92 1n4n h SER 30 Ca -0.48 -0.57 -0.33 0.00 -0.84 0.00 0.00 61.79 59.57 1n4n h SER 30 Cb 1.16 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.38 1n4n h SER 30 CO 0.51 1.07 -0.67 -0.62 -1.14 0.00 0.00 176.83 175.98 1n4n s ASP 31 N -6.54 1.58 -0.09 3.07 2.15 0.80 -4.90 116.67 112.73 1n4n s ASP 31 Ca -0.13 -1.15 -0.04 0.00 0.43 0.00 0.00 52.55 51.66 1n4n s ASP 31 Cb 0.06 0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.78 1n4n s ASP 31 CO 0.81 -0.49 0.20 -0.83 -0.17 0.00 0.00 175.17 174.70 1n4n s GLY 32 N -3.22 -0.07 -0.03 2.66 0.00 -1.26 0.47 107.32 105.87 1n4n s GLY 32 Ca 0.24 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.79 1n4n s GLY 32 CO 0.05 1.31 -0.04 -2.38 0.00 0.00 0.00 173.10 172.04 1n4n s HIS 33 N 1.52 0.59 0.05 1.90 -3.43 0.14 -4.22 115.29 111.85 1n4n s HIS 33 Ca -0.06 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.76 1n4n s HIS 33 Cb -0.11 -0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 30.46 1n4n s HIS 33 CO -0.07 -0.13 1.21 0.00 -2.00 0.00 0.00 174.74 173.74 1n4n s SER 35 N 1.11 2.59 0.11 0.00 0.15 0.22 -4.89 113.70 112.98 1n4n s SER 35 Ca 0.59 1.54 0.17 0.00 0.70 0.00 0.00 55.95 58.95 1n4n s SER 35 Cb -0.29 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1n4n s SER 35 CO 0.29 -3.20 0.94 0.50 1.20 0.00 0.00 173.24 172.96 1n4n h LYS 36 N -1.94 0.00 0.00 5.44 3.64 -1.94 -3.28 116.57 118.49 1n4n h LYS 36 Ca -0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1n4n h LYS 36 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1n4n h LYS 36 CO 0.52 0.27 0.00 -0.89 -2.27 0.00 0.00 179.45 177.08 1n4n n ILE 37 N -2.90 0.00 1.59 2.00 5.41 -1.26 -4.40 119.36 119.79 1n4n n ILE 37 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1n4n n ILE 37 Cb 0.78 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 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 0.32 -2.33 1.39 7.94 -1.26 -4.81 117.00 118.24 1n4n n LEU 38 Ca 0.00 -0.16 -0.20 0.00 -1.11 0.00 0.00 56.01 54.54 1n4n n LEU 38 Cb 0.00 -0.16 -0.02 0.00 0.53 0.00 0.00 43.42 43.77 1n4n n LEU 38 CO 0.00 0.08 -0.26 -1.14 -1.11 0.00 0.00 177.39 174.96 1n4n n ARG 39 N -0.33 -1.69 -2.36 1.96 3.00 -1.24 -4.42 116.66 111.58 1n4n n ARG 39 Ca 0.00 1.01 -0.37 0.00 -0.00 0.00 0.00 57.85 58.50 1n4n n ARG 39 Cb 0.08 -5.65 -0.02 0.00 0.00 0.00 0.00 32.46 26.87 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 -4.93 3.85 -0.51 -0.14 0.52 -1.26 -1.51 118.95 114.97 1n4n s ARG 40 Ca 0.00 1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 56.58 1n4n s ARG 40 Cb 0.00 -2.40 0.02 0.00 0.52 0.00 0.00 34.95 33.10 1n4n s ARG 40 CO 0.00 -0.44 1.25 0.00 0.02 0.00 0.00 175.30 176.12 1n4n s LEU 42 N 5.03 4.09 -0.18 0.00 1.02 0.85 -1.00 118.68 128.49 1n4n s LEU 42 Ca 0.49 0.49 -0.13 0.00 0.02 0.00 0.00 54.13 55.01 1n4n s LEU 42 Cb -0.09 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.50 1n4n s LEU 42 CO 0.29 -0.19 0.25 0.00 0.02 0.00 0.00 176.35 176.73 1n4n s THR 44 N 0.55 3.70 0.24 0.00 -4.23 0.18 -0.77 115.64 115.32 1n4n s THR 44 Ca 0.14 -0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.54 1n4n s THR 44 Cb -0.13 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1n4n s THR 44 CO 0.03 0.29 0.77 -1.59 -0.54 0.00 0.00 174.62 173.58 1n4n s LYS 45 N -1.72 1.63 0.48 3.99 -2.85 0.68 -0.14 119.74 121.80 1n4n s LYS 45 Ca 0.20 -0.89 -0.18 0.00 -1.00 0.00 0.00 55.97 54.09 1n4n s LYS 45 Cb -0.11 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 1n4n s LYS 45 CO 0.11 -0.74 0.98 -1.83 0.10 0.00 0.00 175.35 173.96 1n4n s GLU 46 N -3.77 4.04 0.00 1.78 4.04 -1.26 -0.30 118.70 123.23 1n4n s GLU 46 Ca 0.11 1.05 0.00 0.00 0.04 0.00 0.00 54.97 56.16 1n4n s GLU 46 Cb -0.05 -2.15 0.00 0.00 0.02 0.00 0.00 34.13 31.95 1n4n s GLU 46 CO 0.05 -0.19 0.00 0.00 -1.84 0.00 0.00 175.26 173.27