#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n13 s ILE 5 N 0.00 -0.03 -0.48 -3.67 2.07 -1.26 -5.11 121.20 112.71 1n13 s ILE 5 Ca 0.00 0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 59.11 1n13 s ILE 5 Cb 0.00 -0.89 0.08 0.00 0.13 0.00 0.00 42.46 41.77 1n13 s ILE 5 CO 0.00 0.01 0.43 0.21 -1.91 0.00 0.00 174.94 173.68 1n13 s ASN 6 N 1.61 6.16 0.63 4.50 3.84 -1.26 -4.94 114.94 125.48 1n13 s ASN 6 Ca -0.10 -1.35 0.39 0.00 0.21 0.00 0.00 52.86 52.01 1n13 s ASN 6 Cb -0.06 -2.19 2.17 0.00 -0.55 0.00 0.00 41.25 40.62 1n13 s ASN 6 CO -0.18 -0.69 2.32 1.55 -2.79 0.00 0.00 177.10 177.31 1n13 h PRO 7 N 8.79 0.00 0.00 0.43 0.13 -1.93 0.62 132.00 140.04 1n13 h PRO 7 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1n13 h PRO 7 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1n13 h PRO 7 CO 0.90 0.00 -0.46 -0.07 -0.23 0.00 0.00 178.00 178.15 1n13 h LEU 8 N 0.00 0.00 0.02 1.56 3.38 -1.98 -3.32 115.31 114.98 1n13 h LEU 8 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1n13 h LEU 8 Cb 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1n13 h LEU 8 CO 0.00 0.46 -2.38 1.41 0.09 0.00 0.00 178.44 178.03 1n13 n HIS 9 N -3.41 0.20 -1.94 1.13 8.25 -0.55 -4.54 115.22 114.36 1n13 n HIS 9 Ca 0.01 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.11 1n13 n HIS 9 Cb 0.61 -1.03 -0.01 0.00 1.12 0.00 0.00 29.99 30.69 1n13 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n13 n ALA 10 N -3.12 6.69 0.23 -1.41 0.00 0.10 -4.71 120.51 118.29 1n13 n ALA 10 Ca -0.41 -4.03 0.14 0.00 0.00 0.00 0.00 53.44 49.13 1n13 n ALA 10 Cb 1.03 -2.91 0.78 0.00 0.00 0.00 0.00 19.45 18.35 1n13 n ALA 10 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1n13 h TYR 11 N 4.86 0.00 0.00 0.00 -0.00 -1.80 -1.76 116.97 118.26 1n13 h TYR 11 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.41 1n13 h TYR 11 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1n13 h TYR 11 CO 1.59 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 180.02 1n13 h PHE 12 N 0.00 0.00 -3.45 0.10 -5.15 -1.91 -3.40 116.94 103.13 1n13 h PHE 12 Ca 0.04 0.00 -0.72 0.00 -0.20 0.00 0.00 57.97 57.09 1n13 h PHE 12 Cb 0.21 0.00 -0.31 0.00 0.22 0.00 0.00 35.95 36.07 1n13 h PHE 12 CO 0.00 0.00 -0.35 0.21 -2.00 0.00 0.00 178.31 176.17 1n13 s LYS 13 N -3.39 2.57 0.38 6.09 2.20 -0.66 -5.08 119.74 121.84 1n13 s LYS 13 Ca 0.05 -2.05 -0.23 0.00 -0.36 0.00 0.00 55.97 53.38 1n13 s LYS 13 Cb 0.08 -3.89 -0.10 0.00 -1.51 0.00 0.00 37.83 32.41 1n13 s LYS 13 CO 0.57 -1.19 0.93 -0.51 -0.36 0.00 0.00 175.35 174.80 1n13 s LEU 14 N 0.83 4.12 0.53 5.43 1.02 -1.26 -4.95 118.68 124.39 1n13 s LEU 14 Ca 0.10 1.73 -0.23 0.00 0.02 0.00 0.00 54.13 55.76 1n13 s LEU 14 Cb -0.22 -4.28 -0.06 0.00 0.02 0.00 0.00 46.19 41.65 1n13 s LEU 14 CO -0.03 -0.22 1.38 -2.65 0.02 0.00 0.00 176.35 174.85 1n13 n PRO 15 N -0.09 1.83 -0.04 1.29 -0.02 -1.26 -4.93 135.00 131.79 1n13 n PRO 15 Ca 0.05 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.22 1n13 n PRO 15 Cb 0.52 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.83 1.91 -3.98 2.55 2.04 -1.26 -5.04 115.26 110.65 1n13 n ASN 16 Ca 0.09 -2.25 -0.09 0.00 -0.44 0.00 0.00 54.58 51.90 1n13 n ASN 16 Cb 0.44 -0.13 -0.10 0.00 -2.53 0.00 0.00 39.78 37.46 1n13 n ASN 16 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1n13 s THR 17 N -1.45 0.15 -0.01 5.53 -4.23 -1.26 -5.16 115.64 109.21 1n13 s THR 17 Ca 0.09 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1n13 s THR 17 Cb 0.08 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1n13 s THR 17 CO 0.01 -0.67 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.69 1n13 s VAL 18 N -2.64 0.30 -0.05 2.29 1.01 -1.26 -5.15 120.40 114.90 1n13 s VAL 18 Ca -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1n13 s VAL 18 Cb -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1n13 s VAL 18 CO -0.05 0.11 -0.06 -0.44 0.00 0.00 0.00 175.10 174.66 1n13 s SER 19 N 0.16 1.06 -0.16 3.32 0.01 -1.26 -5.13 113.70 111.69 1n13 s SER 19 Ca -0.01 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 56.94 1n13 s SER 19 Cb -0.04 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 1n13 s SER 19 CO -0.00 -0.03 0.37 -0.76 0.41 0.00 0.00 173.24 173.22 1n13 s LEU 20 N 0.81 4.22 0.09 2.44 1.43 -1.26 -5.07 118.68 121.34 1n13 s LEU 20 Ca -0.12 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1n13 s LEU 20 Cb -0.14 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1n13 s LEU 20 CO 0.01 0.02 -0.03 0.68 0.23 0.00 0.00 176.35 177.26 1n13 s VAL 21 N 0.78 0.44 0.01 -1.59 -7.23 -1.26 -5.17 120.40 106.38 1n13 s VAL 21 Ca 0.20 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 1n13 s VAL 21 Cb -0.14 -1.71 0.07 0.00 0.56 0.00 0.00 36.38 35.16 1n13 s VAL 21 CO 0.07 -0.83 0.67 0.00 -0.31 0.00 0.00 175.10 174.69 1n13 s ALA 22 N -3.79 -1.72 0.09 1.32 0.00 -1.26 -5.08 121.76 111.31 1n13 s ALA 22 Ca 0.13 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.89 1n13 s ALA 22 Cb 0.07 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.53 1n13 s ALA 22 CO -0.05 -0.50 1.09 0.20 0.00 0.00 0.00 175.76 176.51 1n13 s GLY 23 N -1.69 -0.29 0.12 0.00 0.00 -1.26 -4.08 107.32 100.13 1n13 s GLY 23 Ca -0.07 0.32 -0.10 0.00 0.00 0.00 0.00 44.72 44.88 1n13 s GLY 23 CO 0.02 0.21 0.25 -1.35 0.00 0.00 0.00 173.10 172.24 1n13 s SER 24 N -2.99 0.05 -0.14 1.64 1.04 -1.26 -4.88 113.70 107.16 1n13 s SER 24 Ca 0.14 -0.70 -0.31 0.00 0.48 0.00 0.00 55.95 55.56 1n13 s SER 24 Cb 0.01 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1n13 s SER 24 CO 0.00 -0.81 1.05 -0.55 0.98 0.00 0.00 173.24 173.91 1n13 s SER 25 N -2.90 -0.29 0.56 7.02 0.15 -1.26 -4.47 113.70 112.52 1n13 s SER 25 Ca 0.10 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 1n13 s SER 25 Cb 0.04 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 1n13 s SER 25 CO -0.07 -0.36 0.85 -1.61 1.20 0.00 0.00 173.24 173.25 1n13 s GLU 26 N -1.86 2.87 -0.07 5.44 0.41 -1.26 -4.78 118.70 119.45 1n13 s GLU 26 Ca 0.03 -0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.11 1n13 s GLU 26 Cb -0.01 -2.34 0.11 0.00 -1.78 0.00 0.00 34.13 30.11 1n13 s GLU 26 CO -0.03 -0.65 0.90 0.20 -0.49 0.00 0.00 175.26 175.19 1n13 s GLY 27 N -4.31 -0.40 0.33 -1.39 0.00 -1.26 -4.44 107.32 95.84 1n13 s GLY 27 Ca 0.53 1.46 0.14 0.00 0.00 0.00 0.00 44.72 46.85 1n13 s GLY 27 CO 0.43 0.70 1.71 0.83 0.00 0.00 0.00 173.10 176.76 1n13 h GLU 28 N 2.36 0.00 -4.71 2.90 5.08 -1.99 -3.44 114.58 114.78 1n13 h GLU 28 Ca -0.21 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.89 1n13 h GLU 28 Cb 1.20 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1n13 h GLU 28 CO 0.32 0.48 -0.67 0.95 -1.00 0.00 0.00 179.01 179.09 1n13 s THR 29 N -3.75 0.61 0.22 1.13 -4.23 -1.26 -5.03 115.64 103.33 1n13 s THR 29 Ca -0.01 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1n13 s THR 29 Cb 0.13 -1.98 0.17 0.00 1.34 0.00 0.00 72.50 72.16 1n13 s THR 29 CO 0.73 -0.60 1.81 -0.65 -0.54 0.00 0.00 174.62 175.37 1n13 h PRO 30 N 2.80 0.70 -0.29 3.99 0.11 -2.00 -0.93 132.00 136.38 1n13 h PRO 30 Ca -0.36 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 1n13 h PRO 30 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1n13 h PRO 30 CO 0.63 0.46 -0.29 1.25 -0.21 0.00 0.00 178.00 179.84 1n13 h LEU 31 N 0.72 0.62 -0.72 2.35 5.85 -1.98 -1.03 115.31 121.12 1n13 h LEU 31 Ca 0.34 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1n13 h LEU 31 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1n13 h LEU 31 CO -0.21 0.89 -0.44 0.78 -0.34 0.00 0.00 178.44 179.12 1n13 h ASN 32 N 0.52 0.49 -0.22 1.25 2.35 -1.84 -0.54 115.58 117.59 1n13 h ASN 32 Ca 0.07 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 1n13 h ASN 32 Cb 0.77 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1n13 h ASN 32 CO 0.06 0.86 -0.40 0.00 -1.65 0.00 0.00 177.43 176.31 1n13 h ALA 33 N 1.16 0.71 -0.07 -0.83 0.00 -0.93 -0.11 119.26 119.18 1n13 h ALA 33 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1n13 h ALA 33 Cb 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1n13 h ALA 33 CO 0.08 0.66 0.03 0.35 0.00 0.00 0.00 179.25 180.37 1n13 h PHE 34 N 0.62 0.11 -0.80 0.00 3.57 -0.98 0.11 116.94 119.57 1n13 h PHE 34 Ca 0.05 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1n13 h PHE 34 Cb 0.95 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 1n13 h PHE 34 CO 0.05 0.22 0.48 0.22 -2.23 0.00 0.00 178.31 177.06 1n13 h ASP 35 N -0.03 0.75 -0.55 0.41 3.58 -0.99 -0.51 116.42 119.07 1n13 h ASP 35 Ca 0.02 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1n13 h ASP 35 Cb 0.16 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1n13 h ASP 35 CO -0.00 0.48 0.14 1.23 -2.88 0.00 0.00 179.24 178.21 1n13 h GLY 36 N 0.88 0.99 1.09 -0.78 0.00 -0.60 -1.00 103.07 103.64 1n13 h GLY 36 Ca 0.35 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1n13 h GLY 36 CO -0.18 0.55 0.00 0.00 0.00 0.00 0.00 176.54 176.91 1n13 h ALA 37 N 1.27 0.83 -0.60 3.60 0.00 0.30 -1.23 119.26 123.43 1n13 h ALA 37 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1n13 h ALA 37 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n13 h ALA 37 CO -0.00 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 1n13 h LEU 38 N 0.99 1.05 -0.70 0.00 4.07 -0.76 -0.91 115.31 119.05 1n13 h LEU 38 Ca 0.18 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 1n13 h LEU 38 Cb 0.56 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1n13 h LEU 38 CO 0.03 1.11 0.37 -0.07 -1.08 0.00 0.00 178.44 178.80 1n13 h LEU 39 N 0.97 0.89 -1.17 1.67 3.38 -0.94 -0.99 115.31 119.12 1n13 h LEU 39 Ca 0.17 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1n13 h LEU 39 Cb 0.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1n13 h LEU 39 CO 0.03 0.74 -0.28 -1.13 0.09 0.00 0.00 178.44 177.89 1n13 h ASN 40 N 0.97 0.21 0.90 -0.43 -0.73 -0.99 -2.11 115.58 113.40 1n13 h ASN 40 Ca 0.25 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1n13 h ASN 40 Cb 0.06 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1n13 h ASN 40 CO -0.04 0.50 0.00 0.00 -0.37 0.00 0.00 177.43 177.52 1n13 n ALA 41 N -2.48 2.29 -0.63 1.57 0.00 -0.37 -4.78 120.51 116.12 1n13 n ALA 41 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1n13 n ALA 41 Cb 0.38 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.34 0.66 1.54 0.00 0.00 -0.69 -4.50 105.19 103.54 1n13 n GLY 42 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.63 1.20 0.24 -0.61 -5.35 -0.46 -4.88 119.36 106.88 1n13 n ILE 43 Ca 0.00 -2.42 0.14 0.00 -0.27 0.00 0.00 62.75 60.20 1n13 n ILE 43 Cb 0.00 0.42 0.45 0.00 -1.74 0.00 0.00 39.64 38.77 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 1.44 0.00 -2.66 3.28 0.00 -1.70 -3.31 103.07 100.11 1n13 h GLY 44 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.98 1n13 h GLY 44 CO 0.17 0.00 0.14 0.70 0.00 0.00 0.00 176.54 177.55 1n13 n ASN 45 N -3.14 2.86 -4.29 0.19 3.02 -1.26 -4.81 115.26 107.83 1n13 n ASN 45 Ca 0.02 -3.73 -0.16 0.00 -0.03 0.00 0.00 54.58 50.68 1n13 n ASN 45 Cb 0.42 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.27 1.08 -0.18 2.41 -7.23 -1.25 -5.13 120.40 106.83 1n13 s VAL 46 Ca 0.48 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1n13 s VAL 46 Cb 0.43 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1n13 s VAL 46 CO 0.03 -0.50 0.46 0.20 -0.31 0.00 0.00 175.10 174.98 1n13 s ASN 47 N -3.24 6.55 -0.22 4.85 0.01 -1.26 -5.06 114.94 116.57 1n13 s ASN 47 Ca 0.23 0.66 -0.16 0.00 -0.71 0.00 0.00 52.86 52.88 1n13 s ASN 47 Cb 0.04 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1n13 s ASN 47 CO 0.05 -0.09 0.40 -0.76 -1.51 0.00 0.00 177.10 175.20 1n13 s LEU 48 N 1.20 4.12 -0.51 0.60 1.43 -1.26 -5.02 118.68 119.23 1n13 s LEU 48 Ca 0.23 0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1n13 s LEU 48 Cb -0.15 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.69 1n13 s LEU 48 CO 0.09 -0.12 0.42 -0.63 0.23 0.00 0.00 176.35 176.34 1n13 s ILE 49 N 1.55 4.61 0.08 -0.59 1.01 -1.26 -5.04 121.20 121.56 1n13 s ILE 49 Ca 0.18 -1.75 -0.31 0.00 0.00 0.00 0.00 60.65 58.78 1n13 s ILE 49 Cb -0.15 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1n13 s ILE 49 CO 0.08 -0.82 1.89 -1.14 0.00 0.00 0.00 174.94 174.95 1n13 n ARG 50 N 4.95 2.78 -3.81 2.79 0.63 -1.26 -4.99 116.66 117.75 1n13 n ARG 50 Ca -0.09 1.01 -0.33 0.00 -0.92 0.00 0.00 57.85 57.53 1n13 n ARG 50 Cb 0.41 -2.93 -0.05 0.00 0.45 0.00 0.00 32.46 30.34 1n13 n ARG 50 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1n13 s ILE 51 N 3.42 5.32 0.00 5.15 -4.36 -1.26 -5.31 121.20 124.16 1n13 s ILE 51 Ca 0.85 -0.06 0.00 0.00 -0.26 0.00 0.00 60.65 61.19 1n13 s ILE 51 Cb -0.48 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 39.64 1n13 s ILE 51 CO 0.40 0.24 0.08 -1.54 0.24 0.00 0.00 174.94 174.35