#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 1.67 0.19 -1.18 0.00 -1.26 -5.07 121.76 116.11 1m8b s ALA 2 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1m8b s ALA 2 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1m8b s ALA 2 CO 0.00 -2.28 0.08 0.00 0.00 0.00 0.00 175.76 173.56 1m8b s ALA 3 N -2.87 1.25 0.59 0.00 0.00 -1.26 -5.10 121.76 114.37 1m8b s ALA 3 Ca 0.63 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1m8b s ALA 3 Cb -0.19 1.02 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1m8b s ALA 3 CO 0.57 -0.48 0.00 0.28 0.00 0.00 0.00 175.76 176.13 1m8b n VAL 4 N -0.26 -3.60 -2.87 0.00 0.31 -1.26 -4.90 118.33 105.75 1m8b n VAL 4 Ca -0.02 1.74 0.02 0.00 -0.01 0.00 0.00 64.34 66.07 1m8b n VAL 4 Cb 0.65 -2.72 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 1m8b n VAL 4 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1m8b s SER 5 N -4.96 -0.58 0.10 4.52 0.01 -1.26 -5.02 113.70 106.50 1m8b s SER 5 Ca 0.00 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.94 1m8b s SER 5 Cb 0.00 0.75 -0.05 0.00 0.21 0.00 0.00 66.02 66.93 1m8b s SER 5 CO 0.00 -0.06 0.30 -0.69 0.41 0.00 0.00 173.24 173.20 1m8b s VAL 6 N 1.96 5.26 -0.14 3.43 1.01 -1.26 -5.07 120.40 125.59 1m8b s VAL 6 Ca 0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1m8b s VAL 6 Cb 0.02 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1m8b s VAL 6 CO -0.13 0.12 0.62 -0.62 0.00 0.00 0.00 175.10 175.08 1m8b s ASP 7 N -2.37 6.78 -0.43 3.32 -1.08 -1.26 -4.86 116.67 116.77 1m8b s ASP 7 Ca 0.37 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 53.42 1m8b s ASP 7 Cb -0.13 -2.36 0.29 0.00 -1.46 0.00 0.00 42.92 39.27 1m8b s ASP 7 CO 0.25 -0.18 0.84 0.00 0.52 0.00 0.00 175.17 176.60 1m8b n SER 9 N 0.89 1.38 -0.80 0.00 2.88 -1.26 -4.48 113.62 112.22 1m8b n SER 9 Ca 0.15 -2.26 -0.04 0.00 -1.33 0.00 0.00 58.87 55.38 1m8b n SER 9 Cb 0.64 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.45 0.00 -3.52 -1.46 -0.00 -1.26 -5.13 120.64 108.82 1m8b n GLU 10 Ca 0.07 -0.62 -0.19 0.00 -0.00 0.00 0.00 57.16 56.41 1m8b n GLU 10 Cb 0.81 0.33 -0.01 0.00 -0.00 0.00 0.00 31.44 32.57 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 0.00 3.04 0.36 -1.84 1.51 -1.26 -4.09 117.35 115.07 1m8b s TYR 11 Ca 0.00 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 1m8b s TYR 11 Cb 0.00 -1.98 -0.09 0.00 -0.11 0.00 0.00 41.96 39.78 1m8b s TYR 11 CO 0.00 0.01 1.06 -1.25 -1.11 0.00 0.00 175.55 174.26 1m8b s PRO 12 N -4.14 4.31 0.24 -1.71 0.04 -1.26 -4.90 135.00 127.57 1m8b s PRO 12 Ca 0.45 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1m8b s PRO 12 Cb -0.09 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 1m8b s PRO 12 CO 0.30 -0.03 0.61 0.15 0.04 0.00 0.00 177.00 178.07 1m8b s LYS 13 N -2.18 3.91 -0.82 4.56 1.02 -1.26 -4.95 119.74 120.03 1m8b s LYS 13 Ca 0.54 0.45 -0.07 0.00 0.02 0.00 0.00 55.97 56.90 1m8b s LYS 13 Cb -0.25 -2.65 -0.15 0.00 -0.52 0.00 0.00 37.83 34.27 1m8b s LYS 13 CO 0.31 0.30 2.95 -3.47 -0.92 0.00 0.00 175.35 174.53 1m8b n ASP 14 N 0.00 6.38 0.00 2.83 -0.08 -1.26 -4.61 116.55 119.81 1m8b n ASP 14 Ca 0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.84 1m8b n ASP 14 Cb 0.52 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.63 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8b n ALA 15 N 3.25 0.00 -2.59 -1.67 0.00 -1.26 -5.18 120.51 113.05 1m8b n ALA 15 Ca 0.56 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.72 1m8b n ALA 15 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1m8b n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s THR 17 N -2.70 4.96 -0.09 0.00 -4.23 -1.26 -4.99 115.64 107.34 1m8b s THR 17 Ca 0.35 0.59 0.15 0.00 -1.18 0.00 0.00 61.69 61.60 1m8b s THR 17 Cb 0.09 -3.68 -0.22 0.00 1.34 0.00 0.00 72.50 70.03 1m8b s THR 17 CO 0.18 0.18 0.55 -0.11 -0.54 0.00 0.00 174.62 174.89 1m8b n LEU 18 N 0.61 0.65 -4.77 4.79 0.00 -1.26 -4.91 117.00 112.12 1m8b n LEU 18 Ca -0.05 0.31 -0.40 0.00 0.00 0.00 0.00 56.01 55.87 1m8b n LEU 18 Cb 0.52 0.23 -0.02 0.00 0.00 0.00 0.00 43.42 44.15 1m8b n LEU 18 CO 0.43 0.37 0.92 -1.61 0.00 0.00 0.00 177.39 177.50 1m8b s GLU 19 N -2.64 4.34 -0.18 1.96 8.01 -1.26 -4.99 118.70 123.94 1m8b s GLU 19 Ca -0.06 2.08 -0.22 0.00 0.01 0.00 0.00 54.97 56.79 1m8b s GLU 19 Cb 0.08 -3.02 -0.03 0.00 -4.31 0.00 0.00 34.13 26.86 1m8b s GLU 19 CO 0.83 -0.15 0.66 -0.47 0.01 0.00 0.00 175.26 176.13 1m8b s TYR 20 N -1.19 3.40 -0.30 1.61 6.14 -1.26 -4.88 117.35 120.88 1m8b s TYR 20 Ca 0.50 1.00 0.00 0.00 0.64 0.00 0.00 57.07 59.21 1m8b s TYR 20 Cb -0.37 -2.82 0.14 0.00 0.42 0.00 0.00 41.96 39.33 1m8b s TYR 20 CO 0.48 -0.15 0.31 1.03 0.64 0.00 0.00 175.55 177.87 1m8b s ARG 21 N 1.80 0.36 0.10 4.97 3.00 0.12 -5.05 118.95 124.24 1m8b s ARG 21 Ca 0.31 -0.19 -0.30 0.00 0.00 0.00 0.00 55.73 55.54 1m8b s ARG 21 Cb -0.16 -0.64 -0.06 0.00 0.00 0.00 0.00 34.95 34.08 1m8b s ARG 21 CO 0.11 -1.05 1.15 -1.25 0.00 0.00 0.00 175.30 174.26 1m8b s PRO 22 N 2.29 4.50 0.12 3.54 0.04 -1.10 -3.21 135.00 141.17 1m8b s PRO 22 Ca 0.10 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1m8b s PRO 22 Cb -0.14 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1m8b s PRO 22 CO -0.30 -0.12 -0.01 -0.48 0.04 0.00 0.00 177.00 176.13 1m8b s LEU 23 N 0.50 2.23 0.04 -3.56 0.05 -0.55 0.18 118.68 117.56 1m8b s LEU 23 Ca 0.55 -1.10 0.07 0.00 0.05 0.00 0.00 54.13 53.69 1m8b s LEU 23 Cb -0.29 0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 43.90 1m8b s LEU 23 CO 0.31 -0.58 -0.17 0.00 -0.55 0.00 0.00 176.35 175.36 1m8b s GLY 25 N -1.45 1.97 0.47 0.00 0.00 0.32 -1.18 107.32 107.45 1m8b s GLY 25 Ca 0.15 -1.83 0.27 0.00 0.00 0.00 0.00 44.72 43.31 1m8b s GLY 25 CO 0.06 -1.71 1.79 0.23 0.00 0.00 0.00 173.10 173.47 1m8b h SER 26 N 0.51 0.00 -0.34 1.64 0.87 -0.53 -2.37 113.55 113.33 1m8b h SER 26 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1m8b h SER 26 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1m8b h SER 26 CO 0.48 0.08 0.00 -0.90 -0.53 0.00 0.00 176.83 175.96 1m8b n ASP 27 N -3.16 2.13 -2.63 6.23 5.75 -1.26 -4.87 116.55 118.73 1m8b n ASP 27 Ca 0.02 -2.07 -0.17 0.00 -0.01 0.00 0.00 54.79 52.56 1m8b n ASP 27 Cb 0.43 -0.30 0.05 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.50 -5.04 -4.28 -1.12 5.15 -0.89 -5.00 115.26 104.59 1m8b n ASN 28 Ca 0.12 -0.37 -0.35 0.00 -0.60 0.00 0.00 54.58 53.38 1m8b n ASN 28 Cb 0.37 -3.63 -0.14 0.00 -0.53 0.00 0.00 39.78 35.85 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8b s LYS 29 N -5.90 3.18 -0.23 1.20 1.02 -1.25 -4.87 119.74 112.88 1m8b s LYS 29 Ca 0.40 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.46 1m8b s LYS 29 Cb -0.18 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1m8b s LYS 29 CO 0.50 -0.29 0.48 0.99 -0.92 0.00 0.00 175.35 176.11 1m8b s THR 30 N 1.44 5.12 0.36 2.17 2.01 -1.26 -0.52 115.64 124.95 1m8b s THR 30 Ca 0.04 0.83 0.08 0.00 0.31 0.00 0.00 61.69 62.95 1m8b s THR 30 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1m8b s THR 30 CO -0.03 0.16 0.17 -0.31 -0.69 0.00 0.00 174.62 173.91 1m8b s TYR 31 N 1.87 2.70 -0.07 4.92 2.02 0.36 -4.95 117.35 124.19 1m8b s TYR 31 Ca 0.21 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1m8b s TYR 31 Cb -0.15 -1.72 -0.24 0.00 -0.40 0.00 0.00 41.96 39.44 1m8b s TYR 31 CO 0.09 0.28 0.55 0.41 -1.57 0.00 0.00 175.55 175.32 1m8b n GLY 32 N -1.19 -0.84 3.08 0.71 0.00 -1.26 -1.47 105.19 104.21 1m8b n GLY 32 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 1m8b n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8b s ASN 33 N -6.42 0.44 0.54 1.61 0.01 -1.20 -0.71 114.94 109.22 1m8b s ASN 33 Ca -0.11 -0.92 0.36 0.00 -0.71 0.00 0.00 52.86 51.48 1m8b s ASN 33 Cb 0.07 0.19 1.85 0.00 0.41 0.00 0.00 41.25 43.78 1m8b s ASN 33 CO 0.81 -0.56 2.10 0.50 -1.51 0.00 0.00 177.10 178.44 1m8b h LYS 34 N 3.37 0.00 0.05 -0.60 3.64 -1.93 -1.61 116.57 119.48 1m8b h LYS 34 Ca -0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1m8b h LYS 34 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1m8b h LYS 34 CO 0.62 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.78 1m8b h ASN 36 N -0.65 0.80 -0.31 0.00 2.35 -1.73 0.13 115.58 116.18 1m8b h ASN 36 Ca -0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1m8b h ASN 36 Cb 0.57 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1m8b h ASN 36 CO 0.01 0.55 -0.11 0.15 -1.65 0.00 0.00 177.43 176.38 1m8b h PHE 37 N 0.95 0.70 -0.17 1.19 3.04 -1.35 -2.10 116.94 119.19 1m8b h PHE 37 Ca 0.31 -0.16 0.03 0.00 3.98 0.00 0.00 57.97 62.14 1m8b h PHE 37 Cb 0.03 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 1m8b h PHE 37 CO -0.03 0.82 -0.03 0.00 -2.02 0.00 0.00 178.31 177.04 1m8b h ASN 39 N 0.02 0.04 0.67 0.00 2.35 -0.69 0.37 115.58 118.34 1m8b h ASN 39 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 1m8b h ASN 39 Cb 0.12 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1m8b h ASN 39 CO -0.16 0.03 -0.90 0.00 -1.65 0.00 0.00 177.43 174.75 1m8b h ALA 40 N 1.82 0.51 0.38 -0.83 0.00 -0.07 -2.30 119.26 118.76 1m8b h ALA 40 Ca 0.17 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1m8b h ALA 40 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1m8b h ALA 40 CO -0.01 0.97 -0.18 0.28 0.00 0.00 0.00 179.25 180.31 1m8b h VAL 41 N 0.07 0.47 -0.92 0.00 2.07 0.36 -1.42 116.25 116.88 1m8b h VAL 41 Ca -0.04 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.00 1m8b h VAL 41 Cb 1.54 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1m8b h VAL 41 CO 0.13 0.09 0.59 -0.37 0.02 0.00 0.00 177.57 178.03 1m8b h VAL 42 N -0.94 0.85 -0.35 2.57 -1.51 -0.91 1.32 116.25 117.27 1m8b h VAL 42 Ca -0.05 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 65.10 1m8b h VAL 42 Cb 0.54 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1m8b h VAL 42 CO 0.09 0.14 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.22 1m8b h GLU 43 N 0.76 0.56 -1.43 5.19 5.08 -1.32 -2.30 114.58 121.12 1m8b h GLU 43 Ca 0.46 -0.13 -0.33 0.00 -1.00 0.00 0.00 59.36 58.36 1m8b h GLU 43 Cb 0.68 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 1m8b h GLU 43 CO -0.23 0.59 0.43 0.45 -1.00 0.00 0.00 179.01 179.26 1m8b n SER 44 N -4.26 6.14 -0.97 1.42 2.88 0.10 -4.74 113.62 114.20 1m8b n SER 44 Ca 0.02 -3.07 -0.13 0.00 -1.33 0.00 0.00 58.87 54.36 1m8b n SER 44 Cb 0.26 -1.00 -0.05 0.00 -0.75 0.00 0.00 64.21 62.66 1m8b n SER 44 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1m8b n ASN 45 N 0.19 -5.63 -1.77 -3.46 3.02 -0.87 -0.70 115.26 106.04 1m8b n ASN 45 Ca 0.32 0.31 -0.15 0.00 -0.03 0.00 0.00 54.58 55.02 1m8b n ASN 45 Cb 0.65 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.54 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8b n GLY 46 N 0.16 -0.26 0.07 7.41 0.00 0.41 -4.89 105.19 108.10 1m8b n GLY 46 Ca -0.13 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1m8b n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m8b n THR 47 N -4.02 0.84 -2.17 2.61 -2.24 0.12 -4.91 114.28 104.50 1m8b n THR 47 Ca -0.17 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.52 1m8b n THR 47 Cb 0.63 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1m8b n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8b s LEU 48 N -5.29 4.40 0.14 3.22 2.96 -1.26 -5.02 118.68 117.84 1m8b s LEU 48 Ca -0.06 2.43 0.11 0.00 -0.22 0.00 0.00 54.13 56.39 1m8b s LEU 48 Cb 0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1m8b s LEU 48 CO 0.84 -0.58 -0.24 0.42 -1.32 0.00 0.00 176.35 175.47 1m8b s THR 49 N 0.29 2.44 -0.02 3.68 -4.23 -1.26 -4.82 115.64 111.72 1m8b s THR 49 Ca 0.59 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 1m8b s THR 49 Cb -0.38 -2.11 -0.06 0.00 1.34 0.00 0.00 72.50 71.30 1m8b s THR 49 CO 0.37 0.05 1.53 -0.22 -0.54 0.00 0.00 174.62 175.82 1m8b s LEU 50 N -2.21 4.32 -0.09 4.79 2.96 -1.26 0.22 118.68 127.40 1m8b s LEU 50 Ca 0.16 2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 56.03 1m8b s LEU 50 Cb -0.10 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.84 1m8b s LEU 50 CO 0.08 -0.83 0.84 -1.28 -1.32 0.00 0.00 176.35 173.83 1m8b h SER 51 N 8.61 -0.05 -5.51 3.68 0.87 -1.31 -3.45 113.55 116.39 1m8b h SER 51 Ca -0.38 -0.64 0.23 0.00 -1.23 0.00 0.00 61.79 59.77 1m8b h SER 51 Cb 1.18 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 63.07 1m8b h SER 51 CO 0.93 0.69 0.63 -1.38 -0.53 0.00 0.00 176.83 177.17 1m8b s HIS 52 N -2.91 -0.05 0.38 2.24 -3.43 -1.08 -4.89 115.29 105.55 1m8b s HIS 52 Ca -0.15 -0.21 -0.07 0.00 -0.80 0.00 0.00 55.06 53.83 1m8b s HIS 52 Cb -0.01 0.62 -0.05 0.00 -1.43 0.00 0.00 32.58 31.71 1m8b s HIS 52 CO 0.57 -0.66 0.70 -0.06 -2.00 0.00 0.00 174.74 173.29 1m8b s PHE 53 N -2.70 3.49 0.00 0.38 0.08 -1.26 -1.05 117.98 116.93 1m8b s PHE 53 Ca 0.16 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1m8b s PHE 53 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 1m8b s PHE 53 CO 0.01 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 1m8b n GLY 54 N -1.43 -3.07 3.42 4.36 0.00 0.46 -4.72 105.19 104.22 1m8b n GLY 54 Ca 0.00 -1.12 -0.49 0.00 0.00 0.00 0.00 46.02 44.42 1m8b n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m8b n LYS 55 N -0.86 0.06 0.00 1.61 2.85 -1.12 -3.73 118.16 116.97 1m8b n LYS 55 Ca 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1m8b n LYS 55 Cb 0.00 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35