#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n13 n LEU 8 N 0.00 0.60 -3.72 1.53 4.77 -1.26 -4.55 117.00 114.37 1n13 n LEU 8 Ca 0.00 0.49 -0.29 0.00 -0.03 0.00 0.00 56.01 56.17 1n13 n LEU 8 Cb 0.00 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 1n13 n LEU 8 CO 0.00 -0.11 -0.34 -2.28 -1.33 0.00 0.00 177.39 173.33 1n13 s HIS 9 N -3.08 1.42 0.05 -1.77 2.46 -1.26 -5.11 115.29 108.00 1n13 s HIS 9 Ca 0.11 -1.44 -0.37 0.00 0.47 0.00 0.00 55.06 53.84 1n13 s HIS 9 Cb 0.14 -1.46 -0.16 0.00 -0.13 0.00 0.00 32.58 30.97 1n13 s HIS 9 CO 0.60 -0.81 1.44 0.00 -2.47 0.00 0.00 174.74 173.51 1n13 n ALA 10 N 4.93 -0.45 -2.69 1.58 0.00 -1.26 -4.95 120.51 117.67 1n13 n ALA 10 Ca -0.04 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 1n13 n ALA 10 Cb 0.43 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1n13 n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1n13 s TYR 11 N 1.04 3.24 0.25 0.00 5.04 -1.26 -5.07 117.35 120.59 1n13 s TYR 11 Ca 0.86 0.08 -0.30 0.00 -2.44 0.00 0.00 57.07 55.27 1n13 s TYR 11 Cb -0.92 -2.30 -0.10 0.00 0.35 0.00 0.00 41.96 38.99 1n13 s TYR 11 CO 0.48 -0.09 1.42 0.12 -1.34 0.00 0.00 175.55 176.15 1n13 s PHE 12 N 1.41 3.03 0.02 4.97 5.36 -1.26 -5.00 117.98 126.50 1n13 s PHE 12 Ca 0.07 1.07 -0.19 0.00 -0.96 0.00 0.00 56.93 56.92 1n13 s PHE 12 Cb -0.15 -3.80 0.04 0.00 -0.34 0.00 0.00 43.02 38.77 1n13 s PHE 12 CO 0.07 -2.57 0.42 -1.59 -1.46 0.00 0.00 175.22 170.09 1n13 s LYS 13 N -0.48 0.89 0.50 10.12 -2.85 -1.26 -5.16 119.74 121.50 1n13 s LYS 13 Ca 0.58 -0.27 -0.05 0.00 -1.00 0.00 0.00 55.97 55.23 1n13 s LYS 13 Cb -0.41 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 35.73 1n13 s LYS 13 CO 0.44 -0.29 0.80 -0.51 0.10 0.00 0.00 175.35 175.89 1n13 s LEU 14 N -1.80 3.55 0.33 2.77 1.02 -1.26 -5.01 118.68 118.27 1n13 s LEU 14 Ca -0.07 0.84 -0.28 0.00 0.02 0.00 0.00 54.13 54.63 1n13 s LEU 14 Cb -0.02 -3.76 -0.12 0.00 0.02 0.00 0.00 46.19 42.31 1n13 s LEU 14 CO 0.00 -0.69 1.31 -2.65 0.02 0.00 0.00 176.35 174.34 1n13 n PRO 15 N -2.31 2.11 -0.02 1.29 -0.02 -1.26 -4.90 135.00 129.89 1n13 n PRO 15 Ca 0.01 0.74 0.01 0.00 -2.02 0.00 0.00 63.50 62.24 1n13 n PRO 15 Cb 0.56 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1n13 n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1n13 n ASN 16 N 1.00 1.85 -4.05 2.55 0.23 -1.26 -5.01 115.26 110.57 1n13 n ASN 16 Ca 0.06 -1.75 -0.15 0.00 -0.53 0.00 0.00 54.58 52.21 1n13 n ASN 16 Cb 0.35 -0.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.91 1n13 n ASN 16 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n13 s THR 17 N -0.77 0.60 -0.04 5.53 -4.23 -1.26 -5.14 115.64 110.33 1n13 s THR 17 Ca 0.03 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1n13 s THR 17 Cb 0.01 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1n13 s THR 17 CO 0.02 -0.18 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.19 1n13 s VAL 18 N -0.95 0.46 -0.07 2.29 1.01 -1.26 -5.14 120.40 116.74 1n13 s VAL 18 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1n13 s VAL 18 Cb -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1n13 s VAL 18 CO 0.00 0.20 -0.12 -0.44 0.00 0.00 0.00 175.10 174.75 1n13 s SER 19 N 0.83 1.82 -0.19 3.32 0.01 -1.26 -5.12 113.70 113.11 1n13 s SER 19 Ca -0.10 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.68 1n13 s SER 19 Cb -0.13 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 1n13 s SER 19 CO -0.00 0.02 0.45 -0.76 0.41 0.00 0.00 173.24 173.35 1n13 s LEU 20 N 0.77 4.17 0.09 2.44 1.43 -1.26 -5.06 118.68 121.25 1n13 s LEU 20 Ca -0.13 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1n13 s LEU 20 Cb -0.15 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1n13 s LEU 20 CO 0.03 -0.09 -0.06 0.68 0.23 0.00 0.00 176.35 177.13 1n13 s VAL 21 N 1.28 0.64 0.02 -1.59 -7.23 -1.26 -5.17 120.40 107.10 1n13 s VAL 21 Ca 0.22 -1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 1n13 s VAL 21 Cb -0.15 -1.56 0.06 0.00 0.56 0.00 0.00 36.38 35.29 1n13 s VAL 21 CO 0.09 -0.83 0.58 0.00 -0.31 0.00 0.00 175.10 174.62 1n13 s ALA 22 N -3.41 -1.50 0.09 1.32 0.00 -1.26 -5.07 121.76 111.92 1n13 s ALA 22 Ca 0.09 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 1n13 s ALA 22 Cb 0.04 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.54 1n13 s ALA 22 CO -0.05 -0.48 1.08 0.20 0.00 0.00 0.00 175.76 176.51 1n13 s GLY 23 N -1.75 -0.30 0.13 0.00 0.00 -1.26 -4.06 107.32 100.08 1n13 s GLY 23 Ca -0.07 0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 1n13 s GLY 23 CO 0.01 0.06 0.26 -1.35 0.00 0.00 0.00 173.10 172.08 1n13 s SER 24 N -2.94 0.04 -0.17 1.64 1.04 -1.26 -4.86 113.70 107.20 1n13 s SER 24 Ca 0.13 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.53 1n13 s SER 24 Cb 0.01 0.40 0.14 0.00 0.10 0.00 0.00 66.02 66.67 1n13 s SER 24 CO -0.00 -0.82 1.10 -0.55 0.98 0.00 0.00 173.24 173.95 1n13 s SER 25 N -2.90 -0.25 0.60 7.02 0.15 -1.26 -4.49 113.70 112.56 1n13 s SER 25 Ca 0.10 0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1n13 s SER 25 Cb 0.04 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1n13 s SER 25 CO -0.06 -0.29 0.90 -1.61 1.20 0.00 0.00 173.24 173.38 1n13 s GLU 26 N -1.62 2.82 -0.02 5.44 0.41 -1.26 -4.76 118.70 119.71 1n13 s GLU 26 Ca 0.04 -0.08 -0.28 0.00 -0.41 0.00 0.00 54.97 54.24 1n13 s GLU 26 Cb -0.01 -2.28 0.09 0.00 -1.78 0.00 0.00 34.13 30.16 1n13 s GLU 26 CO -0.03 -0.75 0.79 0.20 -0.49 0.00 0.00 175.26 174.98 1n13 s GLY 27 N -4.33 -0.49 0.44 -1.39 0.00 -1.26 -4.43 107.32 95.86 1n13 s GLY 27 Ca 0.55 1.21 0.24 0.00 0.00 0.00 0.00 44.72 46.71 1n13 s GLY 27 CO 0.45 0.62 1.78 0.83 0.00 0.00 0.00 173.10 176.78 1n13 h GLU 28 N 2.40 0.00 -4.10 2.90 5.08 -1.99 -3.44 114.58 115.43 1n13 h GLU 28 Ca -0.25 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1n13 h GLU 28 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1n13 h GLU 28 CO 0.35 0.20 -0.55 0.95 -1.00 0.00 0.00 179.01 178.96 1n13 s THR 29 N -3.52 0.17 0.22 1.13 -4.23 -1.26 -5.03 115.64 103.12 1n13 s THR 29 Ca 0.02 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1n13 s THR 29 Cb 0.09 -1.54 0.17 0.00 1.34 0.00 0.00 72.50 72.56 1n13 s THR 29 CO 0.64 -0.78 1.75 -0.65 -0.54 0.00 0.00 174.62 175.04 1n13 h PRO 30 N 2.94 0.46 -0.33 3.99 0.11 -1.99 -0.15 132.00 137.02 1n13 h PRO 30 Ca -0.34 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1n13 h PRO 30 Cb 1.17 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1n13 h PRO 30 CO 0.61 0.30 -0.18 1.25 -0.21 0.00 0.00 178.00 179.77 1n13 h LEU 31 N 0.47 0.60 -0.67 2.35 5.85 -1.98 -0.56 115.31 121.37 1n13 h LEU 31 Ca 0.34 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 1n13 h LEU 31 Cb 0.43 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1n13 h LEU 31 CO -0.32 0.79 -0.53 0.78 -0.34 0.00 0.00 178.44 178.83 1n13 h ASN 32 N 0.55 0.40 -0.43 1.25 2.35 -1.77 -0.57 115.58 117.35 1n13 h ASN 32 Ca 0.09 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 1n13 h ASN 32 Cb 0.62 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1n13 h ASN 32 CO 0.04 0.86 -0.15 0.00 -1.65 0.00 0.00 177.43 176.53 1n13 h ALA 33 N 1.15 0.60 -0.33 -0.83 0.00 -0.65 -0.50 119.26 118.70 1n13 h ALA 33 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1n13 h ALA 33 Cb 1.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1n13 h ALA 33 CO 0.09 0.53 0.14 0.35 0.00 0.00 0.00 179.25 180.36 1n13 h PHE 34 N 0.70 0.50 -0.63 0.00 3.57 -0.97 -0.15 116.94 119.96 1n13 h PHE 34 Ca 0.10 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1n13 h PHE 34 Cb 0.70 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1n13 h PHE 34 CO 0.05 0.45 0.40 0.22 -2.23 0.00 0.00 178.31 177.20 1n13 h ASP 35 N 0.39 0.67 -0.54 0.41 3.58 -0.99 -0.80 116.42 119.14 1n13 h ASP 35 Ca 0.11 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1n13 h ASP 35 Cb 0.16 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1n13 h ASP 35 CO -0.01 0.48 0.22 1.23 -2.88 0.00 0.00 179.24 178.27 1n13 h GLY 36 N 0.80 0.92 1.01 -0.78 0.00 -0.68 -0.90 103.07 103.44 1n13 h GLY 36 Ca 0.24 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1n13 h GLY 36 CO -0.08 0.45 -0.06 0.00 0.00 0.00 0.00 176.54 176.86 1n13 h ALA 37 N 1.39 0.63 -0.77 3.60 0.00 -0.15 -0.61 119.26 123.35 1n13 h ALA 37 Ca 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1n13 h ALA 37 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1n13 h ALA 37 CO -0.02 0.48 0.27 -0.07 0.00 0.00 0.00 179.25 179.91 1n13 h LEU 38 N 0.70 1.09 -0.52 0.00 4.07 -0.85 -0.52 115.31 119.28 1n13 h LEU 38 Ca 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1n13 h LEU 38 Cb 0.58 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1n13 h LEU 38 CO 0.04 0.99 0.23 -0.07 -1.08 0.00 0.00 178.44 178.54 1n13 h LEU 39 N 1.13 0.70 -1.41 1.67 3.38 -0.92 -0.95 115.31 118.91 1n13 h LEU 39 Ca 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1n13 h LEU 39 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n13 h LEU 39 CO -0.01 0.65 -0.13 -1.13 0.09 0.00 0.00 178.44 177.91 1n13 h ASN 40 N 0.69 0.21 1.37 -0.43 -0.00 -0.77 -1.96 115.58 114.70 1n13 h ASN 40 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1n13 h ASN 40 Cb 0.16 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 1n13 h ASN 40 CO -0.02 0.37 0.00 0.00 -0.00 0.00 0.00 177.43 177.78 1n13 n ALA 41 N -2.49 2.25 -0.26 1.57 0.00 -0.23 -4.78 120.51 116.57 1n13 n ALA 41 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n13 n ALA 41 Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1n13 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n13 n GLY 42 N 1.26 0.82 1.68 0.00 0.00 -0.63 -4.51 105.19 103.80 1n13 n GLY 42 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1n13 n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n13 n ILE 43 N -2.21 1.66 0.29 -0.61 -5.35 -0.46 -4.84 119.36 107.85 1n13 n ILE 43 Ca 0.00 -3.02 0.13 0.00 -0.27 0.00 0.00 62.75 59.60 1n13 n ILE 43 Cb 0.00 0.07 0.34 0.00 -1.74 0.00 0.00 39.64 38.31 1n13 n ILE 43 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n13 h GLY 44 N 1.69 0.00 -2.43 3.28 0.00 -1.72 -3.31 103.07 100.59 1n13 h GLY 44 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1n13 h GLY 44 CO 0.29 0.00 0.09 0.70 0.00 0.00 0.00 176.54 177.61 1n13 n ASN 45 N -2.95 3.70 -4.39 0.19 3.02 -1.26 -4.83 115.26 108.73 1n13 n ASN 45 Ca 0.03 -3.35 -0.20 0.00 -0.03 0.00 0.00 54.58 51.04 1n13 n ASN 45 Cb 0.45 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 1n13 n ASN 45 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1n13 s VAL 46 N -3.03 1.58 -0.32 2.41 -7.23 -1.25 -5.12 120.40 107.44 1n13 s VAL 46 Ca 0.47 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1n13 s VAL 46 Cb 0.40 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1n13 s VAL 46 CO 0.07 -0.38 0.53 0.20 -0.31 0.00 0.00 175.10 175.21 1n13 s ASN 47 N -3.39 6.37 -0.09 4.85 0.01 -1.26 -5.05 114.94 116.39 1n13 s ASN 47 Ca 0.27 0.21 -0.25 0.00 -0.71 0.00 0.00 52.86 52.38 1n13 s ASN 47 Cb 0.03 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1n13 s ASN 47 CO 0.10 -0.42 0.79 -0.76 -1.51 0.00 0.00 177.10 175.30 1n13 s LEU 48 N 2.41 4.28 -0.51 0.60 1.43 -1.26 -5.00 118.68 120.63 1n13 s LEU 48 Ca 0.20 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 1n13 s LEU 48 Cb -0.15 -3.22 0.13 0.00 0.03 0.00 0.00 46.19 42.98 1n13 s LEU 48 CO 0.12 -0.23 0.39 -0.63 0.23 0.00 0.00 176.35 176.23 1n13 s ILE 49 N 1.25 4.28 0.12 -0.59 -1.09 -1.26 -5.06 121.20 118.85 1n13 s ILE 49 Ca 0.40 -1.95 -0.31 0.00 -2.23 0.00 0.00 60.65 56.56 1n13 s ILE 49 Cb -0.18 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.80 1n13 s ILE 49 CO 0.18 -0.81 1.79 -0.60 -1.23 0.00 0.00 174.94 174.28 1n13 s ARG 50 N 1.14 4.15 -0.01 2.79 3.52 -1.26 -4.99 118.95 124.28 1n13 s ARG 50 Ca 0.08 2.55 -0.04 0.00 -0.13 0.00 0.00 55.73 58.19 1n13 s ARG 50 Cb -0.24 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1n13 s ARG 50 CO -0.02 -0.82 0.20 0.96 -0.81 0.00 0.00 175.30 174.81 1n13 s ILE 51 N 2.59 5.42 0.00 4.11 -4.36 -1.26 -5.35 121.20 122.34 1n13 s ILE 51 Ca 0.79 -0.07 0.00 0.00 -0.26 0.00 0.00 60.65 61.12 1n13 s ILE 51 Cb -0.45 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 39.72 1n13 s ILE 51 CO 0.35 0.35 0.23 -1.54 0.24 0.00 0.00 174.94 174.58