#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b s ALA 2 N 0.00 -2.04 -0.05 -1.18 0.00 -1.26 -5.17 121.76 112.05 1m8b s ALA 2 Ca 0.00 2.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.90 1m8b s ALA 2 Cb 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 23.12 21.71 1m8b s ALA 2 CO 0.00 -0.35 1.17 0.00 0.00 0.00 0.00 175.76 176.58 1m8b s ALA 3 N 1.27 -2.05 1.28 0.00 0.00 -1.26 -5.17 121.76 115.84 1m8b s ALA 3 Ca -0.07 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1m8b s ALA 3 Cb -0.04 0.24 0.30 0.00 0.00 0.00 0.00 23.12 23.61 1m8b s ALA 3 CO -0.15 -0.85 0.77 1.55 0.00 0.00 0.00 175.76 177.08 1m8b n VAL 4 N -0.32 0.00 -3.72 0.00 3.14 -1.26 -5.05 118.33 111.12 1m8b n VAL 4 Ca -0.05 -0.24 -0.12 0.00 -2.96 0.00 0.00 64.34 60.97 1m8b n VAL 4 Cb 0.61 -0.90 -0.12 0.00 -1.06 0.00 0.00 33.84 32.37 1m8b n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1m8b s SER 5 N -2.54 -0.36 0.30 6.55 0.15 -1.26 -4.90 113.70 111.64 1m8b s SER 5 Ca 0.64 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 57.94 1m8b s SER 5 Cb -0.17 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1m8b s SER 5 CO 0.59 -0.17 0.53 -0.69 1.20 0.00 0.00 173.24 174.70 1m8b s VAL 6 N 1.24 5.09 -0.16 4.45 1.01 -1.26 -5.08 120.40 125.69 1m8b s VAL 6 Ca -0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1m8b s VAL 6 Cb -0.09 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1m8b s VAL 6 CO -0.10 -0.41 0.20 -0.62 0.00 0.00 0.00 175.10 174.17 1m8b s ASP 7 N -3.56 6.35 0.00 3.32 -1.08 -1.26 -4.92 116.67 115.52 1m8b s ASP 7 Ca 0.41 0.41 0.01 0.00 -0.52 0.00 0.00 52.55 52.87 1m8b s ASP 7 Cb -0.10 -2.12 0.02 0.00 -1.46 0.00 0.00 42.92 39.25 1m8b s ASP 7 CO 0.33 0.22 0.84 0.00 0.52 0.00 0.00 175.17 177.08 1m8b n SER 9 N 0.02 3.71 -0.17 0.00 2.88 -1.26 -3.48 113.62 115.31 1m8b n SER 9 Ca -0.00 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1m8b n SER 9 Cb 0.65 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m8b n GLU 10 N 0.17 0.21 -3.73 -1.46 -0.00 -1.26 -5.09 120.64 109.47 1m8b n GLU 10 Ca 0.21 -0.80 -0.24 0.00 -0.00 0.00 0.00 57.16 56.33 1m8b n GLU 10 Cb 0.90 -0.56 -0.02 0.00 -0.00 0.00 0.00 31.44 31.76 1m8b n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1m8b s TYR 11 N -0.15 3.48 0.33 -1.84 1.51 -1.23 -3.75 117.35 115.69 1m8b s TYR 11 Ca 0.01 0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 55.99 1m8b s TYR 11 Cb 0.01 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 40.02 1m8b s TYR 11 CO 0.00 0.34 1.07 -1.25 -1.11 0.00 0.00 175.55 174.60 1m8b s PRO 12 N -3.83 4.44 0.35 -1.71 0.04 -1.26 -5.10 135.00 127.93 1m8b s PRO 12 Ca 0.37 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 1m8b s PRO 12 Cb -0.10 -2.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 1m8b s PRO 12 CO 0.31 0.07 0.84 0.15 0.04 0.00 0.00 177.00 178.41 1m8b s LYS 13 N -1.89 4.20 0.07 4.56 1.02 -1.25 -4.98 119.74 121.47 1m8b s LYS 13 Ca 0.50 0.95 -0.19 0.00 0.02 0.00 0.00 55.97 57.25 1m8b s LYS 13 Cb -0.27 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.48 1m8b s LYS 13 CO 0.35 0.14 1.44 -0.44 -0.92 0.00 0.00 175.35 175.92 1m8b h ASP 14 N 2.42 0.43 -4.34 2.83 5.19 -2.01 -3.43 116.42 117.51 1m8b h ASP 14 Ca -0.48 -0.39 -0.70 0.00 -0.62 0.00 0.00 57.03 54.84 1m8b h ASP 14 Cb 1.18 -0.12 -0.30 0.00 0.18 0.00 0.00 39.33 40.27 1m8b h ASP 14 CO 0.64 0.73 -0.88 0.00 -3.12 0.00 0.00 179.24 176.61 1m8b s ALA 15 N -4.66 2.20 0.87 3.45 0.00 -1.26 -5.13 121.76 117.23 1m8b s ALA 15 Ca -0.14 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1m8b s ALA 15 Cb 0.07 -0.63 0.19 0.00 0.00 0.00 0.00 23.12 22.74 1m8b s ALA 15 CO 0.76 0.49 1.19 0.00 0.00 0.00 0.00 175.76 178.19 1m8b s THR 17 N -3.56 4.95 -0.03 0.00 -4.23 -1.26 -5.00 115.64 106.50 1m8b s THR 17 Ca 0.72 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 61.38 1m8b s THR 17 Cb -0.03 -3.86 -0.13 0.00 1.34 0.00 0.00 72.50 69.81 1m8b s THR 17 CO 0.49 -0.79 0.17 0.18 -0.54 0.00 0.00 174.62 174.13 1m8b n LEU 18 N -2.16 0.00 -4.70 4.79 4.32 -1.26 -5.02 117.00 112.97 1m8b n LEU 18 Ca -0.01 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.66 1m8b n LEU 18 Cb 0.55 0.04 0.13 0.00 -1.62 0.00 0.00 43.42 42.53 1m8b n LEU 18 CO 0.52 0.04 0.73 -1.83 -1.22 0.00 0.00 177.39 175.64 1m8b s GLU 19 N -2.55 1.60 -0.35 3.23 1.03 -1.26 -4.99 118.70 115.41 1m8b s GLU 19 Ca -0.04 1.58 -0.07 0.00 0.03 0.00 0.00 54.97 56.48 1m8b s GLU 19 Cb 0.05 -1.79 0.04 0.00 -0.80 0.00 0.00 34.13 31.64 1m8b s GLU 19 CO 0.38 -2.21 0.12 -0.47 -1.33 0.00 0.00 175.26 171.75 1m8b s TYR 20 N -2.43 3.27 -0.31 4.83 6.14 -1.26 -4.78 117.35 122.80 1m8b s TYR 20 Ca 0.69 -1.44 -0.01 0.00 0.64 0.00 0.00 57.07 56.95 1m8b s TYR 20 Cb -0.24 -2.36 0.13 0.00 0.42 0.00 0.00 41.96 39.90 1m8b s TYR 20 CO 0.53 -0.74 0.25 1.03 0.64 0.00 0.00 175.55 177.26 1m8b s ARG 21 N 1.40 0.38 -0.24 4.97 1.81 0.60 -5.04 118.95 122.83 1m8b s ARG 21 Ca -0.01 -0.54 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 1m8b s ARG 21 Cb -0.20 -0.89 -0.01 0.00 -0.45 0.00 0.00 34.95 33.40 1m8b s ARG 21 CO 0.03 -1.08 1.32 -1.25 -0.68 0.00 0.00 175.30 173.63 1m8b s PRO 22 N 1.94 4.03 0.36 3.54 0.04 -1.04 -2.54 135.00 141.34 1m8b s PRO 22 Ca 0.12 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.70 1m8b s PRO 22 Cb -0.16 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1m8b s PRO 22 CO -0.24 -0.97 0.16 -0.51 0.04 0.00 0.00 177.00 175.48 1m8b s LEU 23 N 4.10 3.23 -0.23 -3.56 1.02 0.56 0.19 118.68 123.99 1m8b s LEU 23 Ca 0.57 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1m8b s LEU 23 Cb -0.20 -1.68 0.05 0.00 0.02 0.00 0.00 46.19 44.39 1m8b s LEU 23 CO 0.20 -0.36 -0.09 0.00 0.02 0.00 0.00 176.35 176.12 1m8b s GLY 25 N 1.31 1.59 0.48 0.00 0.00 0.29 -0.02 107.32 110.97 1m8b s GLY 25 Ca -0.05 -0.66 0.28 0.00 0.00 0.00 0.00 44.72 44.29 1m8b s GLY 25 CO -0.07 0.03 1.89 0.23 0.00 0.00 0.00 173.10 175.18 1m8b h SER 26 N -1.97 0.00 -0.39 1.64 0.87 -0.56 -1.91 113.55 111.22 1m8b h SER 26 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1m8b h SER 26 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1m8b h SER 26 CO 0.51 0.14 0.00 -0.90 -0.53 0.00 0.00 176.83 176.04 1m8b n ASP 27 N -3.29 3.68 -3.27 6.23 5.75 -1.26 -4.87 116.55 119.53 1m8b n ASP 27 Ca 0.00 -2.45 -0.22 0.00 -0.01 0.00 0.00 54.79 52.11 1m8b n ASP 27 Cb 0.38 -0.55 0.07 0.00 -1.03 0.00 0.00 41.12 39.99 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8b n ASN 28 N 0.52 -6.01 -4.45 -1.12 2.85 -0.72 -4.97 115.26 101.37 1m8b n ASN 28 Ca 0.17 -0.46 -0.38 0.00 -0.11 0.00 0.00 54.58 53.80 1m8b n ASN 28 Cb 0.75 -4.65 -0.12 0.00 1.24 0.00 0.00 39.78 37.00 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m8b s LYS 29 N -6.13 3.47 -0.32 1.20 1.02 -1.25 -4.85 119.74 112.89 1m8b s LYS 29 Ca 0.51 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.62 1m8b s LYS 29 Cb -0.22 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1m8b s LYS 29 CO 0.63 -0.33 0.90 0.99 -0.92 0.00 0.00 175.35 176.62 1m8b s THR 30 N 1.62 4.67 -0.15 2.17 2.01 -1.26 -0.55 115.64 124.16 1m8b s THR 30 Ca 0.05 1.37 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 1m8b s THR 30 Cb -0.16 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1m8b s THR 30 CO 0.06 -0.36 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.26 1m8b s TYR 31 N 3.25 2.99 0.39 4.92 2.02 -0.51 -4.93 117.35 125.47 1m8b s TYR 31 Ca 0.37 -0.32 0.12 0.00 -0.37 0.00 0.00 57.07 56.87 1m8b s TYR 31 Cb -0.13 -1.92 0.93 0.00 -0.40 0.00 0.00 41.96 40.44 1m8b s TYR 31 CO 0.14 -0.03 1.88 0.78 -1.57 0.00 0.00 175.55 176.75 1m8b h GLY 32 N 6.60 1.00 -1.79 0.71 0.00 -1.88 0.16 103.07 107.87 1m8b h GLY 32 Ca -0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1m8b h GLY 32 CO 0.61 0.06 0.04 0.54 0.00 0.00 0.00 176.54 177.79 1m8b s ASN 33 N -5.80 0.10 0.31 0.19 2.20 -1.05 -0.29 114.94 110.59 1m8b s ASN 33 Ca -0.09 -1.03 0.23 0.00 -0.94 0.00 0.00 52.86 51.03 1m8b s ASN 33 Cb 0.22 0.70 1.13 0.00 -2.00 0.00 0.00 41.25 41.30 1m8b s ASN 33 CO 0.78 -1.36 1.69 1.17 -2.94 0.00 0.00 177.10 176.45 1m8b n LYS 34 N -0.47 0.16 0.10 3.55 4.81 -1.26 -1.48 118.16 123.57 1m8b n LYS 34 Ca -0.03 0.57 -0.11 0.00 -0.87 0.00 0.00 58.31 57.86 1m8b n LYS 34 Cb 0.61 -1.94 -0.07 0.00 0.02 0.00 0.00 35.03 33.64 1m8b n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1m8b h ASN 36 N -0.86 1.02 0.86 0.00 2.35 -1.78 0.30 115.58 117.47 1m8b h ASN 36 Ca -0.03 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1m8b h ASN 36 Cb 0.51 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1m8b h ASN 36 CO 0.05 0.88 -0.41 0.15 -1.65 0.00 0.00 177.43 176.45 1m8b h PHE 37 N 1.08 -1.07 -0.89 1.19 3.04 -1.28 -1.37 116.94 117.64 1m8b h PHE 37 Ca 0.26 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.28 1m8b h PHE 37 Cb 0.15 0.35 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 1m8b h PHE 37 CO 0.01 -0.66 0.57 0.00 -2.02 0.00 0.00 178.31 176.22 1m8b h ASN 39 N 0.89 0.77 0.84 0.00 -0.73 -0.12 1.54 115.58 118.77 1m8b h ASN 39 Ca 0.41 0.03 -0.24 0.00 1.87 0.00 0.00 56.30 58.37 1m8b h ASN 39 Cb 0.39 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 1m8b h ASN 39 CO -0.17 0.44 -1.16 0.00 -0.37 0.00 0.00 177.43 176.17 1m8b h ALA 40 N 1.57 0.37 0.49 1.57 0.00 0.59 -2.48 119.26 121.36 1m8b h ALA 40 Ca 0.41 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1m8b h ALA 40 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1m8b h ALA 40 CO -0.18 1.25 -0.24 0.28 0.00 0.00 0.00 179.25 180.36 1m8b h VAL 41 N 0.02 0.02 -0.79 0.00 2.07 0.20 0.16 116.25 117.93 1m8b h VAL 41 Ca -0.08 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.04 1m8b h VAL 41 Cb 1.85 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1m8b h VAL 41 CO 0.14 0.01 0.52 1.62 0.02 0.00 0.00 177.57 179.87 1m8b h VAL 42 N -1.17 0.86 0.00 2.57 3.04 0.19 1.74 116.25 123.49 1m8b h VAL 42 Ca -0.07 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 1m8b h VAL 42 Cb 0.51 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1m8b h VAL 42 CO 0.11 0.11 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.16 1m8b h GLU 43 N 0.58 0.00 -1.18 4.17 4.39 -1.41 -2.98 114.58 118.15 1m8b h GLU 43 Ca 0.38 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.39 1m8b h GLU 43 Cb 0.66 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.02 1m8b h GLU 43 CO -0.14 0.28 0.91 0.43 -1.16 0.00 0.00 179.01 179.33 1m8b n SER 44 N -3.44 7.67 -1.14 1.42 7.64 0.19 -4.79 113.62 121.17 1m8b n SER 44 Ca 0.00 -3.79 -0.14 0.00 1.01 0.00 0.00 58.87 55.95 1m8b n SER 44 Cb 0.46 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.61 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 -0.84 -5.13 -1.74 6.43 2.85 -1.12 -0.41 115.26 115.29 1m8b n ASN 45 Ca 0.61 0.35 -0.15 0.00 -0.11 0.00 0.00 54.58 55.28 1m8b n ASN 45 Cb 0.59 -4.14 -0.00 0.00 1.24 0.00 0.00 39.78 37.46 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 -0.02 -0.24 0.11 8.20 0.00 0.54 -4.90 105.19 108.88 1m8b n GLY 46 Ca -0.14 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1m8b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8b h THR 47 N -0.09 0.87 -2.69 2.61 1.03 -0.81 -3.46 112.91 110.37 1m8b h THR 47 Ca -0.35 -2.62 -0.52 0.00 -0.01 0.00 0.00 66.41 62.91 1m8b h THR 47 Cb 1.26 2.56 0.05 0.00 -1.07 0.00 0.00 68.15 70.95 1m8b h THR 47 CO 0.41 0.74 0.99 -0.22 -0.01 0.00 0.00 175.52 177.43 1m8b s LEU 48 N -6.69 4.37 0.17 0.00 0.20 -1.26 -4.99 118.68 110.48 1m8b s LEU 48 Ca -0.12 2.74 0.08 0.00 0.69 0.00 0.00 54.13 57.52 1m8b s LEU 48 Cb 0.07 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 1m8b s LEU 48 CO 0.81 -0.93 -0.06 0.42 -0.29 0.00 0.00 176.35 176.31 1m8b s THR 49 N 1.57 3.41 -0.22 3.68 -4.23 -1.26 -4.75 115.64 113.83 1m8b s THR 49 Ca 0.74 -1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1m8b s THR 49 Cb -0.46 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1m8b s THR 49 CO 0.33 -0.09 1.03 -0.22 -0.54 0.00 0.00 174.62 175.13 1m8b s LEU 50 N -2.81 4.11 -0.06 4.79 1.98 -1.26 0.19 118.68 125.62 1m8b s LEU 50 Ca 0.25 1.38 -0.25 0.00 -2.89 0.00 0.00 54.13 52.62 1m8b s LEU 50 Cb -0.09 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 43.02 1m8b s LEU 50 CO 0.16 -0.65 1.05 -1.28 -1.89 0.00 0.00 176.35 173.73 1m8b h SER 51 N 7.43 -0.05 -5.38 3.68 0.87 -0.61 -3.45 113.55 116.04 1m8b h SER 51 Ca -0.20 -0.58 0.29 0.00 -1.23 0.00 0.00 61.79 60.08 1m8b h SER 51 Cb 1.07 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.91 1m8b h SER 51 CO 0.97 0.58 0.78 -1.38 -0.53 0.00 0.00 176.83 177.26 1m8b s HIS 52 N -3.55 -0.08 0.55 2.24 -3.43 -0.64 -4.82 115.29 105.56 1m8b s HIS 52 Ca -0.16 -0.04 -0.07 0.00 -0.80 0.00 0.00 55.06 54.00 1m8b s HIS 52 Cb 0.00 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1m8b s HIS 52 CO 0.63 -0.32 0.87 -0.06 -2.00 0.00 0.00 174.74 173.86 1m8b s PHE 53 N -2.52 3.48 0.00 0.38 0.08 -1.26 -0.29 117.98 117.84 1m8b s PHE 53 Ca 0.13 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.03 1m8b s PHE 53 Cb 0.03 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1m8b s PHE 53 CO -0.04 -0.55 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 1m8b n GLY 54 N -2.47 -1.97 3.58 4.36 0.00 0.50 -4.72 105.19 104.47 1m8b n GLY 54 Ca 0.03 -1.26 -0.51 0.00 0.00 0.00 0.00 46.02 44.29 1m8b n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m8b n LYS 55 N -0.43 1.14 0.00 1.61 0.00 -0.15 -3.86 118.16 116.48 1m8b n LYS 55 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.72 1m8b n LYS 55 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40