#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b n ALA 2 N 0.00 0.00 -3.11 -1.18 0.00 -1.26 -5.07 120.51 109.88 1m8b n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1m8b n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1m8b n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b n ALA 3 N 0.00 3.48 -3.22 0.00 0.00 -1.26 -5.05 120.51 114.46 1m8b n ALA 3 Ca 0.00 -4.15 -0.13 0.00 0.00 0.00 0.00 53.44 49.16 1m8b n ALA 3 Cb 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 1m8b n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1m8b s VAL 4 N -3.20 0.05 -0.30 0.00 1.01 -1.26 -5.07 120.40 111.64 1m8b s VAL 4 Ca 0.43 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1m8b s VAL 4 Cb 0.27 -0.58 0.18 0.00 0.00 0.00 0.00 36.38 36.25 1m8b s VAL 4 CO -0.10 -0.25 1.13 -0.44 0.00 0.00 0.00 175.10 175.44 1m8b s SER 5 N -1.20 -0.33 0.27 3.32 0.01 -1.26 -4.98 113.70 109.54 1m8b s SER 5 Ca -0.12 0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 1m8b s SER 5 Cb -0.05 1.37 -0.04 0.00 0.21 0.00 0.00 66.02 67.51 1m8b s SER 5 CO 0.04 -0.06 0.49 -0.69 0.41 0.00 0.00 173.24 173.42 1m8b s VAL 6 N 2.30 5.12 -0.32 3.43 1.01 -1.26 -5.07 120.40 125.61 1m8b s VAL 6 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1m8b s VAL 6 Cb -0.04 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1m8b s VAL 6 CO -0.16 -0.34 0.17 -0.62 0.00 0.00 0.00 175.10 174.15 1m8b s ASP 7 N -3.44 5.63 0.00 3.32 2.15 -1.26 -4.86 116.67 118.20 1m8b s ASP 7 Ca 0.40 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1m8b s ASP 7 Cb -0.10 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1m8b s ASP 7 CO 0.31 -0.22 0.67 0.00 -0.17 0.00 0.00 175.17 175.76 1m8b n SER 9 N -0.21 5.86 0.00 0.00 7.64 -1.26 -2.66 113.62 122.99 1m8b n SER 9 Ca 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1m8b n SER 9 Cb 0.32 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1m8b n GLU 10 N 3.30 0.00 -1.14 1.43 0.00 -1.26 -5.15 120.64 117.81 1m8b n GLU 10 Ca 0.51 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.30 1m8b n GLU 10 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.90 1m8b n GLU 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m8b n TYR 11 N -0.47 -3.74 -2.52 -1.84 4.02 -1.09 -4.54 117.16 106.99 1m8b n TYR 11 Ca 0.00 0.24 -0.40 0.00 -0.01 0.00 0.00 57.90 57.73 1m8b n TYR 11 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 39.34 37.68 1m8b n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1m8b s PRO 12 N -1.56 4.57 0.03 -0.72 0.04 -1.26 -5.06 135.00 131.05 1m8b s PRO 12 Ca 0.50 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1m8b s PRO 12 Cb -0.35 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1m8b s PRO 12 CO 0.73 0.18 0.86 0.15 0.04 0.00 0.00 177.00 178.96 1m8b s LYS 13 N -1.62 4.56 0.15 4.56 1.02 -1.26 -4.96 119.74 122.20 1m8b s LYS 13 Ca 0.47 1.23 -0.23 0.00 0.02 0.00 0.00 55.97 57.46 1m8b s LYS 13 Cb -0.29 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1m8b s LYS 13 CO 0.38 0.14 1.62 -0.44 -0.92 0.00 0.00 175.35 176.12 1m8b h ASP 14 N 6.13 -0.89 -1.59 2.83 3.32 -2.00 -3.42 116.42 120.80 1m8b h ASP 14 Ca -0.42 0.16 -0.55 0.00 0.02 0.00 0.00 57.03 56.23 1m8b h ASP 14 Cb 1.21 0.42 -0.07 0.00 0.22 0.00 0.00 39.33 41.10 1m8b h ASP 14 CO 0.73 -0.30 -0.48 0.00 -1.72 0.00 0.00 179.24 177.47 1m8b s ALA 15 N -6.05 3.67 0.14 3.45 0.00 -1.26 -5.15 121.76 116.56 1m8b s ALA 15 Ca -0.15 -2.06 -0.05 0.00 0.00 0.00 0.00 51.96 49.70 1m8b s ALA 15 Cb 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1m8b s ALA 15 CO 0.68 -0.17 0.16 0.00 0.00 0.00 0.00 175.76 176.43 1m8b s THR 17 N -4.00 3.45 -0.10 0.00 -4.23 -1.26 -5.01 115.64 104.49 1m8b s THR 17 Ca 0.20 -0.18 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 1m8b s THR 17 Cb 0.05 -3.36 -0.28 0.00 1.34 0.00 0.00 72.50 70.25 1m8b s THR 17 CO 0.00 -0.34 0.27 0.18 -0.54 0.00 0.00 174.62 174.19 1m8b n LEU 18 N -2.52 0.00 -4.49 4.79 4.32 -1.26 -4.98 117.00 112.85 1m8b n LEU 18 Ca 0.05 0.00 -0.50 0.00 -0.02 0.00 0.00 56.01 55.53 1m8b n LEU 18 Cb 0.58 0.22 -0.04 0.00 -1.62 0.00 0.00 43.42 42.56 1m8b n LEU 18 CO 0.51 0.22 0.39 -0.62 -1.22 0.00 0.00 177.39 176.67 1m8b n GLU 19 N -2.44 0.47 -3.20 3.23 -0.58 -1.26 -4.89 120.64 111.97 1m8b n GLU 19 Ca -0.16 0.17 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1m8b n GLU 19 Cb 0.81 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 30.14 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1m8b s TYR 20 N -0.54 3.27 -0.28 -0.32 6.14 -1.26 -4.82 117.35 119.54 1m8b s TYR 20 Ca 0.72 0.69 -0.02 0.00 0.64 0.00 0.00 57.07 59.10 1m8b s TYR 20 Cb -0.96 -2.75 0.11 0.00 0.42 0.00 0.00 41.96 38.78 1m8b s TYR 20 CO 0.56 -0.29 0.21 1.03 0.64 0.00 0.00 175.55 177.69 1m8b s ARG 21 N 2.36 0.24 0.17 4.97 1.81 0.64 -5.02 118.95 124.13 1m8b s ARG 21 Ca 0.23 -0.28 -0.30 0.00 -1.72 0.00 0.00 55.73 53.65 1m8b s ARG 21 Cb -0.16 -0.97 -0.07 0.00 -0.45 0.00 0.00 34.95 33.30 1m8b s ARG 21 CO 0.09 -0.98 1.12 -1.25 -0.68 0.00 0.00 175.30 173.60 1m8b s PRO 22 N 2.23 4.56 0.23 3.54 0.04 -1.02 -2.23 135.00 142.36 1m8b s PRO 22 Ca 0.09 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1m8b s PRO 22 Cb -0.15 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1m8b s PRO 22 CO -0.32 0.02 0.02 -0.51 0.04 0.00 0.00 177.00 176.25 1m8b s LEU 23 N -0.20 2.05 -0.21 -3.56 1.43 -0.57 0.17 118.68 117.78 1m8b s LEU 23 Ca 0.51 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1m8b s LEU 23 Cb -0.30 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 45.82 1m8b s LEU 23 CO 0.35 -0.58 0.05 0.00 0.23 0.00 0.00 176.35 176.40 1m8b s GLY 25 N 1.87 1.61 0.23 0.00 0.00 -0.41 -0.57 107.32 110.05 1m8b s GLY 25 Ca 0.01 -0.33 0.22 0.00 0.00 0.00 0.00 44.72 44.61 1m8b s GLY 25 CO -0.11 0.13 1.66 -1.26 0.00 0.00 0.00 173.10 173.52 1m8b n SER 26 N -3.50 0.57 -1.18 1.64 2.88 0.31 -1.49 113.62 112.85 1m8b n SER 26 Ca 0.07 0.65 0.04 0.00 -1.33 0.00 0.00 58.87 58.30 1m8b n SER 26 Cb 0.57 -0.77 0.21 0.00 -0.75 0.00 0.00 64.21 63.47 1m8b n SER 26 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1m8b n ASP 27 N -2.14 3.34 -3.79 -3.46 5.75 -1.26 -4.86 116.55 110.12 1m8b n ASP 27 Ca 0.02 -2.44 -0.26 0.00 -0.01 0.00 0.00 54.79 52.10 1m8b n ASP 27 Cb 0.20 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 39.75 1m8b n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1m8b n ASN 28 N 0.34 -3.59 -4.12 -1.12 3.02 -0.55 -4.96 115.26 104.29 1m8b n ASN 28 Ca 0.14 -0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 53.60 1m8b n ASN 28 Cb 0.71 -4.10 -0.15 0.00 -0.61 0.00 0.00 39.78 35.63 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m8b s LYS 29 N -6.33 2.61 -0.22 3.52 -0.14 -1.24 -4.94 119.74 113.01 1m8b s LYS 29 Ca 0.40 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.67 1m8b s LYS 29 Cb -0.20 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.12 1m8b s LYS 29 CO 0.81 -0.42 0.77 0.99 -0.76 0.00 0.00 175.35 176.74 1m8b s THR 30 N 1.21 4.89 0.30 2.17 2.01 -1.26 -1.28 115.64 123.68 1m8b s THR 30 Ca -0.03 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.52 1m8b s THR 30 Cb -0.17 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1m8b s THR 30 CO -0.07 -0.01 0.28 -0.31 -0.69 0.00 0.00 174.62 173.82 1m8b s TYR 31 N 2.47 3.03 -0.10 4.92 2.02 0.16 -4.93 117.35 124.92 1m8b s TYR 31 Ca 0.34 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1m8b s TYR 31 Cb -0.16 -1.66 -0.25 0.00 -0.40 0.00 0.00 41.96 39.49 1m8b s TYR 31 CO 0.09 0.30 0.46 0.41 -1.57 0.00 0.00 175.55 175.24 1m8b n GLY 32 N -1.33 -0.70 3.20 0.71 0.00 -1.26 -1.52 105.19 104.30 1m8b n GLY 32 Ca -0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1m8b n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m8b s ASN 33 N -6.74 0.23 0.48 1.61 2.47 -0.95 -0.26 114.94 111.79 1m8b s ASN 33 Ca -0.17 -1.04 0.32 0.00 0.42 0.00 0.00 52.86 52.39 1m8b s ASN 33 Cb 0.07 0.33 1.64 0.00 -1.45 0.00 0.00 41.25 41.84 1m8b s ASN 33 CO 0.79 -0.77 1.98 0.50 -3.72 0.00 0.00 177.10 175.88 1m8b h LYS 34 N 2.79 0.00 0.19 0.43 3.64 -1.91 -1.73 116.57 119.98 1m8b h LYS 34 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1m8b h LYS 34 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1m8b h LYS 34 CO 0.56 0.00 -0.09 0.00 -2.27 0.00 0.00 179.45 177.65 1m8b h ASN 36 N -0.79 0.90 0.33 0.00 2.35 -1.79 0.35 115.58 116.93 1m8b h ASN 36 Ca -0.03 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1m8b h ASN 36 Cb 0.52 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1m8b h ASN 36 CO 0.04 0.63 -0.16 0.15 -1.65 0.00 0.00 177.43 176.45 1m8b h PHE 37 N 1.05 -0.41 -0.74 1.19 3.04 -1.30 -2.27 116.94 117.50 1m8b h PHE 37 Ca 0.31 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.31 1m8b h PHE 37 Cb -0.04 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 1m8b h PHE 37 CO -0.00 -0.10 0.48 0.00 -2.02 0.00 0.00 178.31 176.68 1m8b h ASN 39 N 0.82 0.92 0.88 0.00 -0.73 -0.11 1.57 115.58 118.94 1m8b h ASN 39 Ca 0.31 0.02 -0.23 0.00 1.87 0.00 0.00 56.30 58.27 1m8b h ASN 39 Cb 0.17 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1m8b h ASN 39 CO -0.10 0.56 -1.13 0.00 -0.37 0.00 0.00 177.43 176.39 1m8b h ALA 40 N 1.51 0.38 0.50 1.57 0.00 -0.27 -2.46 119.26 120.49 1m8b h ALA 40 Ca 0.43 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1m8b h ALA 40 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1m8b h ALA 40 CO -0.18 1.27 -0.24 0.28 0.00 0.00 0.00 179.25 180.37 1m8b h VAL 41 N 0.01 0.01 -0.78 0.00 2.07 0.17 -0.99 116.25 116.73 1m8b h VAL 41 Ca -0.07 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.07 1m8b h VAL 41 Cb 1.83 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1m8b h VAL 41 CO 0.13 0.00 0.51 1.62 0.02 0.00 0.00 177.57 179.85 1m8b h VAL 42 N -1.18 0.87 -0.60 2.57 3.04 0.20 1.21 116.25 122.36 1m8b h VAL 42 Ca -0.07 -0.20 -0.07 0.00 -1.01 0.00 0.00 66.70 65.35 1m8b h VAL 42 Cb 0.52 0.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.01 1m8b h VAL 42 CO 0.11 0.11 0.09 -0.33 -1.01 0.00 0.00 177.57 176.54 1m8b h GLU 43 N 0.58 0.98 -1.80 4.17 4.39 -1.41 -2.74 114.58 118.75 1m8b h GLU 43 Ca 0.37 -0.25 -0.34 0.00 0.34 0.00 0.00 59.36 59.48 1m8b h GLU 43 Cb 0.65 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.04 1m8b h GLU 43 CO -0.14 0.91 0.27 0.43 -1.16 0.00 0.00 179.01 179.32 1m8b n SER 44 N -4.22 6.22 -1.38 1.42 7.64 0.47 -4.69 113.62 119.08 1m8b n SER 44 Ca 0.04 -2.99 -0.15 0.00 1.01 0.00 0.00 58.87 56.78 1m8b n SER 44 Cb 0.28 -1.17 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m8b n ASN 45 N 0.91 -4.23 -1.80 6.43 2.85 -1.04 0.20 115.26 118.58 1m8b n ASN 45 Ca 0.36 0.37 -0.15 0.00 -0.11 0.00 0.00 54.58 55.05 1m8b n ASN 45 Cb 0.60 -3.77 -0.00 0.00 1.24 0.00 0.00 39.78 37.85 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8b n GLY 46 N -0.24 -0.26 0.11 8.20 0.00 0.39 -4.90 105.19 108.50 1m8b n GLY 46 Ca -0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1m8b n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1m8b h THR 47 N -0.09 0.74 -2.79 2.61 1.35 -0.31 -3.47 112.91 110.95 1m8b h THR 47 Ca -0.37 -2.52 -0.58 0.00 -0.55 0.00 0.00 66.41 62.39 1m8b h THR 47 Cb 1.27 2.48 0.09 0.00 -1.73 0.00 0.00 68.15 70.27 1m8b h THR 47 CO 0.43 0.72 0.52 -0.11 -0.25 0.00 0.00 175.52 176.83 1m8b n LEU 48 N -3.29 3.03 -4.41 3.87 -0.00 -1.26 -4.99 117.00 109.95 1m8b n LEU 48 Ca -0.25 1.16 -0.27 0.00 -0.00 0.00 0.00 56.01 56.66 1m8b n LEU 48 Cb 1.05 -1.42 -0.12 0.00 -0.00 0.00 0.00 43.42 42.93 1m8b n LEU 48 CO 0.44 -0.61 -0.54 0.42 -0.00 0.00 0.00 177.39 177.11 1m8b s THR 49 N -0.43 2.29 -0.27 1.96 -4.23 -1.26 -4.85 115.64 108.85 1m8b s THR 49 Ca 0.64 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.92 1m8b s THR 49 Cb -0.64 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.13 1m8b s THR 49 CO 0.54 -0.09 0.95 -0.22 -0.54 0.00 0.00 174.62 175.26 1m8b s LEU 50 N -2.54 4.05 0.15 4.79 2.96 -1.26 -0.53 118.68 126.30 1m8b s LEU 50 Ca 0.19 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1m8b s LEU 50 Cb -0.08 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1m8b s LEU 50 CO 0.09 -0.68 1.40 0.28 -1.32 0.00 0.00 176.35 176.12 1m8b h SER 51 N 7.80 0.72 -5.81 3.68 0.02 -1.04 -3.45 113.55 115.46 1m8b h SER 51 Ca -0.21 -0.45 0.34 0.00 -0.84 0.00 0.00 61.79 60.63 1m8b h SER 51 Cb 1.07 -0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.30 1m8b h SER 51 CO 0.95 1.21 0.86 -1.38 -1.14 0.00 0.00 176.83 177.33 1m8b s HIS 52 N -3.78 -0.02 0.24 3.45 -3.43 -0.88 -5.01 115.29 105.86 1m8b s HIS 52 Ca -0.08 -0.09 0.05 0.00 -0.80 0.00 0.00 55.06 54.15 1m8b s HIS 52 Cb 0.10 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.77 1m8b s HIS 52 CO 0.87 -0.26 0.35 -0.06 -2.00 0.00 0.00 174.74 173.64 1m8b s PHE 53 N -2.26 3.43 0.03 0.38 0.08 -1.26 -1.69 117.98 116.69 1m8b s PHE 53 Ca 0.19 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1m8b s PHE 53 Cb 0.03 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1m8b s PHE 53 CO -0.03 0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 1m8b n GLY 54 N -1.39 -2.84 3.41 4.36 0.00 0.44 -4.80 105.19 104.37 1m8b n GLY 54 Ca -0.09 -1.29 -0.51 0.00 0.00 0.00 0.00 46.02 44.13 1m8b n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m8b n LYS 55 N -1.62 0.00 0.00 1.61 5.02 -1.25 -4.13 118.16 117.80 1m8b n LYS 55 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1m8b n LYS 55 Cb 0.03 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88