#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 -2.92 -2.57 -1.18 0.00 -1.26 -4.92 120.51 107.65 1m8b n ALA 2 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 1m8b n ALA 2 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.86 3.71 0.19 0.00 0.00 -1.26 -4.95 121.76 117.58 1m8b s ALA 3 Ca 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1m8b s ALA 3 Cb -0.55 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1m8b s ALA 3 CO 0.64 0.61 0.00 1.55 0.00 0.00 0.00 175.76 178.56 1m8b n VAL 4 N 0.01 0.00 -3.64 0.00 3.14 -1.26 -5.00 118.33 111.57 1m8b n VAL 4 Ca -0.01 0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.39 1m8b n VAL 4 Cb 0.52 -0.30 -0.06 0.00 -1.06 0.00 0.00 33.84 32.94 1m8b n VAL 4 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1m8b s SER 5 N -4.40 -0.06 0.10 6.55 1.04 -1.26 -5.09 113.70 110.58 1m8b s SER 5 Ca 0.00 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1m8b s SER 5 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1m8b s SER 5 CO 0.00 -0.03 0.33 -0.69 0.98 0.00 0.00 173.24 173.83 1m8b s VAL 6 N -0.35 5.22 -0.37 5.02 1.01 -1.26 -5.05 120.40 124.62 1m8b s VAL 6 Ca 0.08 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1m8b s VAL 6 Cb -0.03 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1m8b s VAL 6 CO -0.12 0.13 1.07 -0.62 0.00 0.00 0.00 175.10 175.55 1m8b s ASP 7 N -2.28 6.81 -0.16 3.32 -1.08 -1.26 -4.80 116.67 117.22 1m8b s ASP 7 Ca 0.37 0.82 0.16 0.00 -0.52 0.00 0.00 52.55 53.38 1m8b s ASP 7 Cb -0.13 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.15 1m8b s ASP 7 CO 0.23 -0.98 1.21 0.00 0.52 0.00 0.00 175.17 176.15 1m8b n SER 9 N -0.44 7.03 -1.10 0.00 2.88 -1.26 -4.23 113.62 116.49 1m8b n SER 9 Ca -0.07 -3.80 -0.02 0.00 -1.33 0.00 0.00 58.87 53.65 1m8b n SER 9 Cb 0.88 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.66 0.16 -4.26 -1.46 -0.00 -1.26 -5.16 120.64 108.00 1m8b n GLU 10 Ca 0.54 -0.35 -0.24 0.00 -0.00 0.00 0.00 57.16 57.11 1m8b n GLU 10 Cb 0.47 0.37 -0.07 0.00 -0.00 0.00 0.00 31.44 32.22 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 0.02 2.77 0.46 -1.84 1.51 -1.26 -3.81 117.35 115.20 1m8b s TYR 11 Ca 0.01 -0.19 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 1m8b s TYR 11 Cb 0.05 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.56 1m8b s TYR 11 CO -0.02 0.58 1.04 -1.25 -1.11 0.00 0.00 175.55 174.80 1m8b s PRO 12 N -3.51 3.90 0.04 -1.71 0.04 -1.26 -4.96 135.00 127.53 1m8b s PRO 12 Ca 0.30 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1m8b s PRO 12 Cb -0.07 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1m8b s PRO 12 CO 0.20 -0.35 -0.12 -1.59 0.04 0.00 0.00 177.00 175.17 1m8b s LYS 13 N -3.02 2.27 -1.23 4.56 -2.85 -1.25 -5.04 119.74 113.19 1m8b s LYS 13 Ca 0.65 -0.89 -0.05 0.00 -1.00 0.00 0.00 55.97 54.68 1m8b s LYS 13 Cb -0.18 -2.33 0.19 0.00 -2.06 0.00 0.00 37.83 33.45 1m8b s LYS 13 CO 0.22 0.56 2.03 -0.40 0.10 0.00 0.00 175.35 177.87 1m8b n ASP 14 N 1.42 6.93 0.00 0.03 5.68 -1.26 -4.86 116.55 124.49 1m8b n ASP 14 Ca -0.15 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 50.87 1m8b n ASP 14 Cb 0.52 -1.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m8b n ALA 15 N 1.92 0.00 -3.84 2.12 0.00 -1.26 -5.19 120.51 114.27 1m8b n ALA 15 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 1m8b n ALA 15 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.49 2.76 -0.05 0.00 -4.23 -1.26 -5.04 115.64 105.34 1m8b s THR 17 Ca 0.17 -1.86 0.13 0.00 -1.18 0.00 0.00 61.69 58.96 1m8b s THR 17 Cb -0.04 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.77 1m8b s THR 17 CO 0.07 -0.18 0.94 0.17 -0.54 0.00 0.00 174.62 175.08 1m8b h LEU 18 N 1.70 0.00 -9.52 4.79 8.10 -2.04 -3.47 115.31 114.86 1m8b h LEU 18 Ca -0.43 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 56.98 1m8b h LEU 18 Cb 1.25 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 41.64 1m8b h LEU 18 CO 0.66 0.80 -0.32 -0.62 -4.11 0.00 0.00 178.44 174.85 1m8b n GLU 19 N -3.08 0.60 -4.14 0.17 4.71 -1.26 -4.96 120.64 112.67 1m8b n GLU 19 Ca -0.09 0.23 -0.35 0.00 -0.01 0.00 0.00 57.16 56.95 1m8b n GLU 19 Cb 0.92 -1.74 -0.13 0.00 -1.01 0.00 0.00 31.44 29.48 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1m8b s TYR 20 N -1.65 2.97 -0.32 -0.32 6.14 -1.26 -4.90 117.35 118.01 1m8b s TYR 20 Ca 0.68 -0.66 -0.01 0.00 0.64 0.00 0.00 57.07 57.73 1m8b s TYR 20 Cb -0.47 -2.05 0.13 0.00 0.42 0.00 0.00 41.96 40.00 1m8b s TYR 20 CO 0.54 -0.34 0.25 1.03 0.64 0.00 0.00 175.55 177.67 1m8b s ARG 21 N 1.04 0.40 0.27 4.97 3.00 0.45 -5.03 118.95 124.05 1m8b s ARG 21 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 55.73 54.77 1m8b s ARG 21 Cb -0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 34.95 33.76 1m8b s ARG 21 CO 0.00 -1.10 1.08 -1.25 0.00 0.00 0.00 175.30 174.03 1m8b s PRO 22 N 1.80 4.67 0.27 3.54 0.04 -0.98 -2.67 135.00 141.67 1m8b s PRO 22 Ca 0.13 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 1m8b s PRO 22 Cb -0.17 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1m8b s PRO 22 CO -0.20 0.25 0.34 -0.48 0.04 0.00 0.00 177.00 176.95 1m8b s LEU 23 N -1.40 0.94 -0.03 -3.56 2.34 -0.59 0.19 118.68 116.57 1m8b s LEU 23 Ca 0.44 -1.33 0.03 0.00 0.06 0.00 0.00 54.13 53.33 1m8b s LEU 23 Cb -0.31 1.10 0.00 0.00 -0.56 0.00 0.00 46.19 46.42 1m8b s LEU 23 CO 0.40 -1.08 -0.10 0.00 -1.06 0.00 0.00 176.35 174.51 1m8b s GLY 25 N 0.16 1.76 0.38 0.00 0.00 0.73 -0.98 107.32 109.37 1m8b s GLY 25 Ca -0.03 -1.58 0.18 0.00 0.00 0.00 0.00 44.72 43.29 1m8b s GLY 25 CO 0.01 -1.01 1.78 0.23 0.00 0.00 0.00 173.10 174.10 1m8b h SER 26 N -0.65 0.00 -0.27 1.64 0.87 -0.52 -1.78 113.55 112.83 1m8b h SER 26 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1m8b h SER 26 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1m8b h SER 26 CO 0.42 0.37 0.00 -0.90 -0.53 0.00 0.00 176.83 176.19 1m8b n ASP 27 N -3.67 1.88 -2.36 6.23 5.75 -1.26 -4.86 116.55 118.26 1m8b n ASP 27 Ca -0.01 -2.09 -0.14 0.00 -0.01 0.00 0.00 54.79 52.54 1m8b n ASP 27 Cb 0.47 -0.29 0.05 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.32 -4.25 -4.39 -1.12 5.15 -0.67 -4.99 115.26 105.30 1m8b n ASN 28 Ca 0.10 -0.33 -0.41 0.00 -0.60 0.00 0.00 54.58 53.34 1m8b n ASN 28 Cb 0.34 -3.21 -0.11 0.00 -0.53 0.00 0.00 39.78 36.27 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m8b s LYS 29 N -5.65 2.90 -0.22 1.20 2.36 -1.25 -4.81 119.74 114.27 1m8b s LYS 29 Ca 0.30 -1.04 -0.24 0.00 -2.55 0.00 0.00 55.97 52.45 1m8b s LYS 29 Cb -0.13 -3.76 -0.01 0.00 -1.05 0.00 0.00 37.83 32.88 1m8b s LYS 29 CO 0.43 -0.68 0.78 0.99 1.55 0.00 0.00 175.35 178.43 1m8b s THR 30 N 1.58 4.88 0.33 3.43 2.01 -1.26 -0.19 115.64 126.42 1m8b s THR 30 Ca 0.03 1.49 0.09 0.00 0.31 0.00 0.00 61.69 63.60 1m8b s THR 30 Cb -0.19 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1m8b s THR 30 CO 0.07 -0.02 0.09 -0.31 -0.69 0.00 0.00 174.62 173.76 1m8b s TYR 31 N 2.55 2.66 -0.07 4.92 2.02 0.02 -4.95 117.35 124.50 1m8b s TYR 31 Ca 0.34 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.71 1m8b s TYR 31 Cb -0.16 -1.54 -0.24 0.00 -0.40 0.00 0.00 41.96 39.62 1m8b s TYR 31 CO 0.09 0.41 0.54 0.41 -1.57 0.00 0.00 175.55 175.43 1m8b n GLY 32 N -1.06 -0.82 3.32 0.71 0.00 -1.26 -1.54 105.19 104.53 1m8b n GLY 32 Ca -0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.48 0.06 0.48 1.61 -0.87 -1.09 -0.41 114.94 108.25 1m8b s ASN 33 Ca -0.12 -0.88 0.33 0.00 -1.57 0.00 0.00 52.86 50.62 1m8b s ASN 33 Cb 0.07 0.42 1.64 0.00 -0.02 0.00 0.00 41.25 43.36 1m8b s ASN 33 CO 0.80 -0.87 1.99 0.50 -2.57 0.00 0.00 177.10 176.95 1m8b h LYS 34 N 2.58 0.00 0.00 -0.60 3.64 -1.95 -1.72 116.57 118.52 1m8b h LYS 34 Ca -0.32 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1m8b h LYS 34 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1m8b h LYS 34 CO 0.49 0.00 -0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1m8b h ASN 36 N -0.43 0.62 -0.68 0.00 2.35 -1.75 -1.32 115.58 114.38 1m8b h ASN 36 Ca -0.00 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1m8b h ASN 36 Cb 0.43 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1m8b h ASN 36 CO 0.00 0.64 0.33 0.15 -1.65 0.00 0.00 177.43 176.90 1m8b h PHE 37 N 0.57 0.97 -0.13 1.19 3.04 -1.33 -1.11 116.94 120.15 1m8b h PHE 37 Ca 0.15 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.07 1m8b h PHE 37 Cb 0.22 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 1m8b h PHE 37 CO 0.01 0.72 0.02 0.00 -2.02 0.00 0.00 178.31 177.04 1m8b h ASN 39 N 0.07 0.00 0.67 0.00 -0.00 -0.88 0.22 115.58 115.67 1m8b h ASN 39 Ca 0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.15 1m8b h ASN 39 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.36 1m8b h ASN 39 CO -0.09 0.00 -0.94 0.00 -0.00 0.00 0.00 177.43 176.40 1m8b h ALA 40 N 1.92 0.44 0.34 1.57 0.00 0.36 -2.13 119.26 121.76 1m8b h ALA 40 Ca 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1m8b h ALA 40 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1m8b h ALA 40 CO -0.00 0.98 -0.16 0.28 0.00 0.00 0.00 179.25 180.35 1m8b h VAL 41 N 0.08 0.56 -0.95 0.00 2.07 0.28 -1.97 116.25 116.32 1m8b h VAL 41 Ca -0.05 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 66.91 1m8b h VAL 41 Cb 1.61 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 1m8b h VAL 41 CO 0.14 0.11 0.59 -0.37 0.02 0.00 0.00 177.57 178.06 1m8b h VAL 42 N -0.88 0.94 -0.91 2.57 -1.51 -0.99 1.35 116.25 116.81 1m8b h VAL 42 Ca -0.05 -0.33 0.05 0.00 -1.23 0.00 0.00 66.70 65.15 1m8b h VAL 42 Cb 0.53 -0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.52 1m8b h VAL 42 CO 0.08 0.18 0.58 -0.33 -1.23 0.00 0.00 177.57 176.84 1m8b h GLU 43 N 0.96 1.05 -1.63 5.19 5.08 -1.32 -1.25 114.58 122.66 1m8b h GLU 43 Ca 0.46 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.43 1m8b h GLU 43 Cb 0.41 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.29 1m8b h GLU 43 CO -0.25 0.69 0.37 0.45 -1.00 0.00 0.00 179.01 179.27 1m8b n SER 44 N -4.55 6.38 -1.76 1.42 2.88 0.05 -4.74 113.62 113.29 1m8b n SER 44 Ca 0.13 -3.03 -0.09 0.00 -1.33 0.00 0.00 58.87 54.55 1m8b n SER 44 Cb 0.15 -1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 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 0.55 -2.72 -1.61 -3.46 4.13 -0.47 0.19 115.26 111.86 1m8b n ASN 45 Ca 0.31 0.25 -0.14 0.00 1.68 0.00 0.00 54.58 56.68 1m8b n ASN 45 Cb 0.58 -2.54 -0.00 0.00 -1.54 0.00 0.00 39.78 36.27 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8b n GLY 46 N -0.40 -0.18 0.01 7.41 0.00 0.44 -4.89 105.19 107.58 1m8b n GLY 46 Ca -0.10 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.73 1m8b n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1m8b n THR 47 N -4.02 0.04 -2.83 2.61 5.66 0.50 -4.90 114.28 111.34 1m8b n THR 47 Ca -0.15 -0.12 -0.41 0.00 -3.05 0.00 0.00 64.05 60.31 1m8b n THR 47 Cb 0.62 0.59 -0.04 0.00 -1.55 0.00 0.00 70.33 69.95 1m8b n THR 47 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1m8b s LEU 48 N -3.42 4.38 0.28 1.09 1.98 -1.25 -5.05 118.68 116.68 1m8b s LEU 48 Ca 0.05 1.53 0.10 0.00 -2.89 0.00 0.00 54.13 52.92 1m8b s LEU 48 Cb 0.16 -3.41 -0.04 0.00 0.66 0.00 0.00 46.19 43.55 1m8b s LEU 48 CO 0.84 -0.18 -0.02 0.42 -1.89 0.00 0.00 176.35 175.52 1m8b s THR 49 N 0.76 3.26 -0.23 3.68 -4.23 -1.26 -4.79 115.64 112.83 1m8b s THR 49 Ca 0.46 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 1m8b s THR 49 Cb -0.20 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1m8b s THR 49 CO 0.25 -0.36 0.84 -0.22 -0.54 0.00 0.00 174.62 174.59 1m8b s LEU 50 N -3.66 4.10 -0.09 4.79 2.96 -1.26 0.23 118.68 125.75 1m8b s LEU 50 Ca 0.32 1.08 -0.24 0.00 -0.22 0.00 0.00 54.13 55.07 1m8b s LEU 50 Cb -0.06 -3.21 -0.20 0.00 0.50 0.00 0.00 46.19 43.22 1m8b s LEU 50 CO 0.19 -0.50 0.84 -1.28 -1.32 0.00 0.00 176.35 174.28 1m8b h SER 51 N 7.59 -0.05 -5.37 3.68 0.87 -1.21 -3.45 113.55 115.61 1m8b h SER 51 Ca -0.24 -0.63 0.17 0.00 -1.23 0.00 0.00 61.79 59.86 1m8b h SER 51 Cb 1.10 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 1m8b h SER 51 CO 0.87 0.68 0.53 -1.38 -0.53 0.00 0.00 176.83 177.00 1m8b s HIS 52 N -2.92 -0.02 0.31 2.24 0.00 -0.97 -5.02 115.29 108.92 1m8b s HIS 52 Ca -0.15 -0.34 0.01 0.00 -3.00 0.00 0.00 55.06 51.58 1m8b s HIS 52 Cb -0.01 0.67 -0.03 0.00 -4.00 0.00 0.00 32.58 29.21 1m8b s HIS 52 CO 0.57 -0.89 0.49 -0.06 -1.00 0.00 0.00 174.74 173.85 1m8b s PHE 53 N -2.69 3.49 0.09 0.38 0.08 -1.26 -1.06 117.98 117.01 1m8b s PHE 53 Ca 0.17 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1m8b s PHE 53 Cb -0.02 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1m8b s PHE 53 CO 0.04 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 1m8b n GLY 54 N -1.62 -2.90 3.43 4.36 0.00 0.51 -4.74 105.19 104.24 1m8b n GLY 54 Ca -0.06 -1.29 -0.49 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.93 0.18 0.00 1.61 5.02 -1.26 -3.84 118.16 117.95 1m8b n LYS 55 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1m8b n LYS 55 Cb 0.09 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88