#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 -2.66 -3.44 1.47 0.00 -1.26 -4.89 120.51 109.73 1m8b n ALA 2 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1m8b n ALA 2 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 1m8b n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s ALA 3 N -2.62 4.07 0.28 0.00 0.00 -1.26 -4.85 121.76 117.38 1m8b s ALA 3 Ca 0.11 -3.43 0.03 0.00 0.00 0.00 0.00 51.96 48.67 1m8b s ALA 3 Cb -0.01 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1m8b s ALA 3 CO 0.86 -2.22 0.24 0.54 0.00 0.00 0.00 175.76 175.17 1m8b s VAL 4 N -0.21 0.00 -0.25 0.00 0.11 -1.26 -5.18 120.40 113.61 1m8b s VAL 4 Ca 0.20 -1.96 -0.31 0.00 -2.93 0.00 0.00 61.98 56.98 1m8b s VAL 4 Cb -0.12 -2.50 0.17 0.00 -1.53 0.00 0.00 36.38 32.40 1m8b s VAL 4 CO -0.08 0.00 1.28 -0.94 -3.33 0.00 0.00 175.10 172.04 1m8b s SER 5 N -3.28 -0.10 0.18 3.54 1.04 -1.26 -4.69 113.70 109.13 1m8b s SER 5 Ca 0.39 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.94 1m8b s SER 5 Cb 0.04 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1m8b s SER 5 CO 0.21 -0.11 0.27 0.68 0.98 0.00 0.00 173.24 175.27 1m8b s VAL 6 N -1.37 5.09 0.16 5.02 -7.23 -1.26 -5.05 120.40 115.76 1m8b s VAL 6 Ca 0.08 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 1m8b s VAL 6 Cb -0.01 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.17 1m8b s VAL 6 CO -0.05 -0.16 1.64 -0.62 -0.31 0.00 0.00 175.10 175.59 1m8b s ASP 7 N -3.41 6.53 0.00 4.85 -1.08 -1.26 -4.82 116.67 117.47 1m8b s ASP 7 Ca 0.34 2.67 0.04 0.00 -0.52 0.00 0.00 52.55 55.07 1m8b s ASP 7 Cb -0.10 -2.59 0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1m8b s ASP 7 CO 0.27 -0.88 0.86 0.00 0.52 0.00 0.00 175.17 175.94 1m8b n SER 9 N 0.07 7.09 -0.67 0.00 3.41 -1.26 -4.09 113.62 118.18 1m8b n SER 9 Ca -0.11 -3.77 -0.01 0.00 -0.26 0.00 0.00 58.87 54.72 1m8b n SER 9 Cb 0.70 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1m8b n GLU 10 N -0.92 0.00 -3.55 4.33 0.00 -1.26 -5.13 120.64 114.11 1m8b n GLU 10 Ca 0.60 -0.57 -0.20 0.00 0.00 0.00 0.00 57.16 57.00 1m8b n GLU 10 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 31.44 32.16 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 2.96 0.42 -1.84 1.51 -1.26 -4.15 117.35 115.00 1m8b s TYR 11 Ca 0.03 -0.30 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 1m8b s TYR 11 Cb 0.03 -1.98 -0.09 0.00 -0.11 0.00 0.00 41.96 39.81 1m8b s TYR 11 CO -0.01 0.00 1.05 -1.25 -1.11 0.00 0.00 175.55 174.23 1m8b s PRO 12 N -4.12 4.07 0.04 -1.71 0.04 -1.26 -4.99 135.00 127.08 1m8b s PRO 12 Ca 0.45 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 1m8b s PRO 12 Cb -0.08 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1m8b s PRO 12 CO 0.29 -0.22 0.19 0.15 0.04 0.00 0.00 177.00 177.46 1m8b s LYS 13 N -2.66 3.40 -0.90 4.56 1.02 -1.26 -5.01 119.74 118.89 1m8b s LYS 13 Ca 0.60 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 1m8b s LYS 13 Cb -0.21 -3.03 0.21 0.00 -0.52 0.00 0.00 37.83 34.28 1m8b s LYS 13 CO 0.26 0.62 2.27 -3.47 -0.92 0.00 0.00 175.35 174.11 1m8b n ASP 14 N 0.48 7.34 -3.91 2.83 2.03 -1.26 -4.88 116.55 119.17 1m8b n ASP 14 Ca -0.07 -3.46 0.05 0.00 0.52 0.00 0.00 54.79 51.82 1m8b n ASP 14 Cb 0.51 -1.21 0.01 0.00 -0.72 0.00 0.00 41.12 39.71 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m8b s ALA 15 N -2.80 -2.74 0.20 -1.67 0.00 -1.26 -5.19 121.76 108.30 1m8b s ALA 15 Ca 0.51 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1m8b s ALA 15 Cb 0.30 0.78 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1m8b s ALA 15 CO -0.22 -1.15 0.29 0.00 0.00 0.00 0.00 175.76 174.68 1m8b s THR 17 N -2.63 2.99 -0.22 0.00 -4.23 -1.26 -5.01 115.64 105.28 1m8b s THR 17 Ca 0.16 -1.21 0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1m8b s THR 17 Cb -0.01 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.60 1m8b s THR 17 CO 0.11 0.27 1.31 0.17 -0.54 0.00 0.00 174.62 175.94 1m8b h LEU 18 N 4.24 0.00-10.31 4.79 -0.00 -2.03 -3.46 115.31 108.54 1m8b h LEU 18 Ca -0.48 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 56.88 1m8b h LEU 18 Cb 1.16 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.96 1m8b h LEU 18 CO 0.49 0.35 0.30 -1.61 -0.00 0.00 0.00 178.44 177.96 1m8b s GLU 19 N -3.06 1.98 -0.21 0.17 8.01 -1.26 -5.03 118.70 119.31 1m8b s GLU 19 Ca 0.03 1.21 -0.04 0.00 0.01 0.00 0.00 54.97 56.18 1m8b s GLU 19 Cb 0.07 -1.86 -0.01 0.00 -4.31 0.00 0.00 34.13 28.02 1m8b s GLU 19 CO 0.75 -1.85 -0.05 -0.47 0.01 0.00 0.00 175.26 173.65 1m8b s TYR 20 N -2.86 2.95 -0.29 1.61 6.14 -1.26 -4.88 117.35 118.75 1m8b s TYR 20 Ca 0.62 -0.91 -0.02 0.00 0.64 0.00 0.00 57.07 57.40 1m8b s TYR 20 Cb -0.18 -2.08 0.12 0.00 0.42 0.00 0.00 41.96 40.24 1m8b s TYR 20 CO 0.56 -0.51 0.21 1.03 0.64 0.00 0.00 175.55 177.48 1m8b s ARG 21 N 1.36 0.25 0.11 4.97 1.81 0.36 -5.03 118.95 122.79 1m8b s ARG 21 Ca 0.04 -0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 53.40 1m8b s ARG 21 Cb -0.14 -0.93 -0.06 0.00 -0.45 0.00 0.00 34.95 33.37 1m8b s ARG 21 CO -0.03 -1.03 1.14 -1.25 -0.68 0.00 0.00 175.30 173.46 1m8b s PRO 22 N 2.22 4.51 0.29 3.54 0.04 -1.09 -2.51 135.00 142.00 1m8b s PRO 22 Ca 0.09 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1m8b s PRO 22 Cb -0.15 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 1m8b s PRO 22 CO -0.35 -0.10 -0.02 -0.51 0.04 0.00 0.00 177.00 176.06 1m8b s LEU 23 N 0.40 2.39 -0.17 -3.56 1.02 -0.55 0.17 118.68 118.38 1m8b s LEU 23 Ca 0.54 -1.26 -0.03 0.00 0.02 0.00 0.00 54.13 53.41 1m8b s LEU 23 Cb -0.29 -0.54 0.05 0.00 0.02 0.00 0.00 46.19 45.44 1m8b s LEU 23 CO 0.32 -0.44 0.04 0.00 0.02 0.00 0.00 176.35 176.29 1m8b s GLY 25 N 1.94 1.59 0.53 0.00 0.00 0.54 -0.23 107.32 111.68 1m8b s GLY 25 Ca 0.01 -0.63 0.31 0.00 0.00 0.00 0.00 44.72 44.41 1m8b s GLY 25 CO -0.08 0.05 1.99 0.23 0.00 0.00 0.00 173.10 175.29 1m8b h SER 26 N -1.93 0.00 -0.40 1.64 0.87 -0.59 -1.33 113.55 111.82 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 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1m8b h SER 26 CO 0.52 0.08 0.00 0.47 -0.53 0.00 0.00 176.83 177.37 1m8b n ASP 27 N -3.25 3.85 -1.65 6.23 9.92 -1.26 -4.85 116.55 125.53 1m8b n ASP 27 Ca -0.00 -2.50 -0.16 0.00 -0.53 0.00 0.00 54.79 51.60 1m8b n ASP 27 Cb 0.31 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.19 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1m8b n ASN 28 N 0.50 -4.76 -4.51 -2.24 2.85 -0.50 -4.93 115.26 101.67 1m8b n ASN 28 Ca 0.18 0.08 -0.43 0.00 -0.11 0.00 0.00 54.58 54.30 1m8b n ASN 28 Cb 0.79 -3.83 -0.04 0.00 1.24 0.00 0.00 39.78 37.94 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 -4.43 3.29 -0.09 1.20 1.02 -1.24 -4.78 119.74 114.70 1m8b s LYS 29 Ca 0.00 -0.39 -0.26 0.00 0.02 0.00 0.00 55.97 55.34 1m8b s LYS 29 Cb 0.00 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1m8b s LYS 29 CO 0.00 -1.46 0.83 0.99 -0.92 0.00 0.00 175.35 174.79 1m8b s THR 30 N 3.74 4.94 0.33 2.17 2.01 -1.26 -0.34 115.64 127.23 1m8b s THR 30 Ca 0.27 1.68 0.10 0.00 0.31 0.00 0.00 61.69 64.05 1m8b s THR 30 Cb -0.14 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 1m8b s THR 30 CO 0.18 0.14 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.88 1m8b s TYR 31 N 1.37 2.46 -0.10 4.92 2.02 -0.13 -4.95 117.35 122.94 1m8b s TYR 31 Ca 0.42 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1m8b s TYR 31 Cb -0.18 -1.38 -0.25 0.00 -0.40 0.00 0.00 41.96 39.75 1m8b s TYR 31 CO 0.18 0.55 0.43 0.41 -1.57 0.00 0.00 175.55 175.56 1m8b n GLY 32 N -0.85 -0.70 3.18 0.71 0.00 -1.26 -1.49 105.19 104.78 1m8b n GLY 32 Ca -0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.67 0.20 0.23 1.61 0.01 -1.04 -0.48 114.94 108.79 1m8b s ASN 33 Ca -0.17 -0.73 0.18 0.00 -0.71 0.00 0.00 52.86 51.43 1m8b s ASN 33 Cb 0.07 0.31 0.89 0.00 0.41 0.00 0.00 41.25 42.93 1m8b s ASN 33 CO 0.78 -0.70 1.55 1.17 -1.51 0.00 0.00 177.10 178.39 1m8b n LYS 34 N -0.03 0.12 0.00 -0.60 4.81 -1.26 -1.67 118.16 119.53 1m8b n LYS 34 Ca -0.15 0.53 -0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1m8b n LYS 34 Cb 0.62 -1.83 -0.10 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.53 0.78 -0.39 0.00 2.35 -1.73 -1.81 115.58 114.25 1m8b h ASN 36 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1m8b h ASN 36 Cb 0.50 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1m8b h ASN 36 CO 0.01 0.90 0.21 0.15 -1.65 0.00 0.00 177.43 177.04 1m8b h PHE 37 N 0.64 0.53 -0.26 1.19 3.04 -1.38 -1.14 116.94 119.56 1m8b h PHE 37 Ca 0.13 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.10 1m8b h PHE 37 Cb 0.50 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 1m8b h PHE 37 CO 0.04 0.41 0.03 0.00 -2.02 0.00 0.00 178.31 176.77 1m8b h ASN 39 N 0.12 0.22 -0.05 0.00 -0.73 -0.97 0.19 115.58 114.36 1m8b h ASN 39 Ca 0.12 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.10 1m8b h ASN 39 Cb 0.14 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1m8b h ASN 39 CO -0.18 0.14 -0.66 0.00 -0.37 0.00 0.00 177.43 176.35 1m8b h ALA 40 N 1.75 0.50 0.82 1.57 0.00 0.52 -0.41 119.26 124.02 1m8b h ALA 40 Ca 0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1m8b h ALA 40 Cb 0.56 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1m8b h ALA 40 CO -0.04 0.70 -0.40 0.28 0.00 0.00 0.00 179.25 179.79 1m8b h VAL 41 N 0.49 0.04 -0.97 0.00 2.07 0.23 0.27 116.25 118.37 1m8b h VAL 41 Ca -0.02 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1m8b h VAL 41 Cb 1.26 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1m8b h VAL 41 CO 0.13 0.00 0.62 -0.37 0.02 0.00 0.00 177.57 177.98 1m8b h VAL 42 N -1.27 0.95 -0.08 2.57 -1.51 -1.03 1.67 116.25 117.55 1m8b h VAL 42 Ca -0.11 -0.34 -0.06 0.00 -1.23 0.00 0.00 66.70 64.96 1m8b h VAL 42 Cb 0.85 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1m8b h VAL 42 CO 0.19 0.18 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.16 1m8b h GLU 43 N 0.98 0.14 -1.17 5.19 4.39 -0.86 -2.11 114.58 121.13 1m8b h GLU 43 Ca 0.47 -0.04 -0.41 0.00 0.34 0.00 0.00 59.36 59.72 1m8b h GLU 43 Cb 0.44 -0.02 -0.20 0.00 -0.10 0.00 0.00 28.75 28.87 1m8b h GLU 43 CO -0.23 0.35 0.52 0.45 -1.16 0.00 0.00 179.01 178.95 1m8b n SER 44 N -4.23 5.31 -1.17 1.42 2.88 0.93 -4.78 113.62 113.98 1m8b n SER 44 Ca -0.01 -3.21 -0.14 0.00 -1.33 0.00 0.00 58.87 54.17 1m8b n SER 44 Cb 0.31 -0.89 -0.06 0.00 -0.75 0.00 0.00 64.21 62.82 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m8b n ASN 45 N -0.35 -4.79 -1.24 -3.46 5.15 -0.79 0.03 115.26 109.80 1m8b n ASN 45 Ca 0.41 0.34 -0.10 0.00 -0.60 0.00 0.00 54.58 54.63 1m8b n ASN 45 Cb 0.93 -3.95 -0.00 0.00 -0.53 0.00 0.00 39.78 36.23 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m8b n GLY 46 N -0.06 -0.03 0.06 8.20 0.00 0.53 -4.91 105.19 108.99 1m8b n GLY 46 Ca -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.98 0.71 -1.95 2.61 -2.24 0.10 -4.93 114.28 104.60 1m8b n THR 47 Ca -0.11 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1m8b n THR 47 Cb 0.59 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -5.08 4.37 0.16 3.22 2.96 -1.26 -5.01 118.68 118.04 1m8b s LEU 48 Ca -0.08 2.71 0.11 0.00 -0.22 0.00 0.00 54.13 56.65 1m8b s LEU 48 Cb 0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1m8b s LEU 48 CO 0.86 -0.76 -0.25 0.42 -1.32 0.00 0.00 176.35 175.30 1m8b s THR 49 N 0.20 2.27 -0.27 3.68 -4.23 -1.26 -4.82 115.64 111.20 1m8b s THR 49 Ca 0.62 -1.88 -0.27 0.00 -1.18 0.00 0.00 61.69 58.98 1m8b s THR 49 Cb -0.43 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1m8b s THR 49 CO 0.42 -0.02 0.94 -0.22 -0.54 0.00 0.00 174.62 175.19 1m8b s LEU 50 N -2.36 4.05 -0.00 4.79 2.96 -1.26 0.16 118.68 127.02 1m8b s LEU 50 Ca 0.17 1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 1m8b s LEU 50 Cb -0.09 -3.35 -0.21 0.00 0.50 0.00 0.00 46.19 43.04 1m8b s LEU 50 CO 0.08 -0.67 1.13 -1.28 -1.32 0.00 0.00 176.35 174.29 1m8b h SER 51 N 7.81 0.41 -5.49 3.68 0.87 -0.76 -3.44 113.55 116.62 1m8b h SER 51 Ca -0.22 -0.70 0.19 0.00 -1.23 0.00 0.00 61.79 59.84 1m8b h SER 51 Cb 1.08 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 1m8b h SER 51 CO 0.94 1.05 0.65 -1.38 -0.53 0.00 0.00 176.83 177.56 1m8b s HIS 52 N -3.43 0.07 0.52 2.24 0.00 -0.76 -4.85 115.29 109.08 1m8b s HIS 52 Ca -0.14 -0.42 0.06 0.00 -3.00 0.00 0.00 55.06 51.57 1m8b s HIS 52 Cb 0.03 0.68 0.05 0.00 -4.00 0.00 0.00 32.58 29.34 1m8b s HIS 52 CO 0.78 -0.81 0.71 -0.06 -1.00 0.00 0.00 174.74 174.37 1m8b s PHE 53 N -2.12 2.30 0.63 0.38 0.08 -1.26 -1.56 117.98 116.42 1m8b s PHE 53 Ca 0.23 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1m8b s PHE 53 Cb -0.02 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 1m8b s PHE 53 CO 0.04 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1m8b n GLY 54 N -2.15 -3.74 3.36 4.36 0.00 0.46 -4.67 105.19 102.82 1m8b n GLY 54 Ca 0.11 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.64 0.05 0.00 1.61 5.02 -1.25 -4.12 118.16 115.84 1m8b n LYS 55 Ca -0.06 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1m8b n LYS 55 Cb 0.62 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88