#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c s ALA 2 N 0.00 3.55 -0.40 -1.18 0.00 -1.26 -4.93 121.76 117.55 1m8c s ALA 2 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1m8c s ALA 2 Cb 0.00 -2.62 0.27 0.00 0.00 0.00 0.00 23.12 20.78 1m8c s ALA 2 CO 0.00 -0.60 1.13 0.00 0.00 0.00 0.00 175.76 176.29 1m8c n ALA 3 N 5.19 -2.48 -1.74 0.00 0.00 -1.26 -5.15 120.51 115.07 1m8c n ALA 3 Ca -0.11 -0.82 -0.37 0.00 0.00 0.00 0.00 53.44 52.15 1m8c n ALA 3 Cb 0.51 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.68 1m8c n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m8c s VAL 4 N 0.32 2.14 0.03 0.00 0.11 -1.26 -5.03 120.40 116.71 1m8c s VAL 4 Ca 0.27 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1m8c s VAL 4 Cb 0.23 -3.04 0.01 0.00 -1.53 0.00 0.00 36.38 32.06 1m8c s VAL 4 CO -0.15 -0.02 0.23 -0.94 -3.33 0.00 0.00 175.10 170.89 1m8c s SER 5 N -1.41 -0.03 -0.09 3.54 1.04 -1.26 -4.49 113.70 111.00 1m8c s SER 5 Ca 0.81 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 1m8c s SER 5 Cb -0.36 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1m8c s SER 5 CO 0.39 -0.54 0.21 -0.69 0.98 0.00 0.00 173.24 173.59 1m8c s VAL 6 N -2.31 5.38 -0.15 5.02 1.01 -1.26 -4.99 120.40 123.09 1m8c s VAL 6 Ca -0.07 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1m8c s VAL 6 Cb -0.02 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1m8c s VAL 6 CO -0.02 0.60 -0.08 -0.62 0.00 0.00 0.00 175.10 174.98 1m8c s ASP 7 N -0.98 4.35 -0.37 3.32 -1.08 -1.26 -4.96 116.67 115.70 1m8c s ASP 7 Ca 0.17 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.01 1m8c s ASP 7 Cb -0.13 -1.69 0.54 0.00 -1.46 0.00 0.00 42.92 40.17 1m8c s ASP 7 CO 0.06 0.14 1.61 0.00 0.52 0.00 0.00 175.17 177.50 1m8c n SER 9 N -1.08 0.51 -2.42 0.00 2.88 -1.26 -4.31 113.62 107.94 1m8c n SER 9 Ca 0.43 0.22 -0.20 0.00 -1.33 0.00 0.00 58.87 57.99 1m8c n SER 9 Cb 1.15 0.82 0.02 0.00 -0.75 0.00 0.00 64.21 65.45 1m8c n SER 9 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1m8c n GLU 10 N -2.66 2.87 -2.87 -1.46 -0.58 -1.26 -4.91 120.64 109.76 1m8c n GLU 10 Ca -0.09 -4.06 0.01 0.00 -0.42 0.00 0.00 57.16 52.59 1m8c n GLU 10 Cb 0.75 -2.00 0.01 0.00 -0.57 0.00 0.00 31.44 29.63 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1m8c s TYR 11 N -3.52 -0.81 0.56 -0.32 2.02 -1.26 -5.15 117.35 108.87 1m8c s TYR 11 Ca 0.43 0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.01 1m8c s TYR 11 Cb 0.40 0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 42.06 1m8c s TYR 11 CO -0.06 -0.57 1.05 -1.25 -1.57 0.00 0.00 175.55 173.14 1m8c s PRO 12 N 1.74 3.50 0.61 -1.71 0.04 -1.26 -4.85 135.00 133.06 1m8c s PRO 12 Ca 0.17 1.21 0.40 0.00 0.04 0.00 0.00 61.00 62.82 1m8c s PRO 12 Cb 0.02 -2.06 2.17 0.00 0.04 0.00 0.00 34.50 34.68 1m8c s PRO 12 CO -0.12 -0.67 2.22 -0.22 0.04 0.00 0.00 177.00 178.26 1m8c h LYS 13 N 0.74 0.00 -0.29 4.56 3.64 -1.96 0.73 116.57 123.99 1m8c h LYS 13 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1m8c h LYS 13 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1m8c h LYS 13 CO 0.58 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.51 1m8c n ASP 14 N -2.93 1.49 -3.54 4.20 10.43 -1.26 -4.40 116.55 120.55 1m8c n ASP 14 Ca -0.03 -2.01 -0.28 0.00 2.57 0.00 0.00 54.79 55.04 1m8c n ASP 14 Cb 0.09 -0.19 -0.12 0.00 1.84 0.00 0.00 41.12 42.74 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1m8c s ALA 15 N -1.63 1.63 0.00 2.24 0.00 0.25 -5.02 121.76 119.22 1m8c s ALA 15 Ca 0.18 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.74 1m8c s ALA 15 Cb 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1m8c s ALA 15 CO 0.12 -2.05 0.00 0.00 0.00 0.00 0.00 175.76 173.83 1m8c n THR 17 N 0.00 0.00 -0.45 0.00 -1.04 -1.26 -4.93 114.28 106.60 1m8c n THR 17 Ca 0.00 0.00 0.39 0.00 -2.04 0.00 0.00 64.05 62.40 1m8c n THR 17 Cb 0.00 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.16 1m8c n THR 17 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1m8c n LEU 18 N 0.00 0.21 -4.57 -4.42 4.32 -1.26 -3.93 117.00 107.35 1m8c n LEU 18 Ca 0.00 1.36 -0.40 0.00 -0.02 0.00 0.00 56.01 56.95 1m8c n LEU 18 Cb 0.00 -0.67 -0.03 0.00 -1.62 0.00 0.00 43.42 41.10 1m8c n LEU 18 CO 0.00 -1.48 1.72 -1.83 -1.22 0.00 0.00 177.39 174.58 1m8c s GLU 19 N -5.21 2.79 -0.16 3.23 1.03 -1.26 -4.95 118.70 114.18 1m8c s GLU 19 Ca -0.07 1.25 0.00 0.00 0.03 0.00 0.00 54.97 56.18 1m8c s GLU 19 Cb 0.30 -4.37 -0.00 0.00 -0.80 0.00 0.00 34.13 29.26 1m8c s GLU 19 CO 0.79 -2.51 -0.15 -0.47 -1.33 0.00 0.00 175.26 171.59 1m8c s TYR 20 N 9.06 2.78 -0.14 4.83 5.04 -1.25 -4.92 117.35 132.74 1m8c s TYR 20 Ca 0.83 -1.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.36 1m8c s TYR 20 Cb -0.20 -1.89 0.05 0.00 0.35 0.00 0.00 41.96 40.28 1m8c s TYR 20 CO 0.28 -0.48 0.08 1.03 -1.34 0.00 0.00 175.55 175.12 1m8c s ARG 21 N 0.83 0.06 0.43 4.97 0.52 0.14 -4.99 118.95 120.92 1m8c s ARG 21 Ca -0.05 0.01 -0.23 0.00 -0.52 0.00 0.00 55.73 54.95 1m8c s ARG 21 Cb -0.15 -1.54 -0.09 0.00 0.52 0.00 0.00 34.95 33.69 1m8c s ARG 21 CO -0.00 -0.59 1.05 -1.25 0.02 0.00 0.00 175.30 174.52 1m8c s PRO 22 N 2.13 4.02 -0.14 3.54 0.04 -1.01 -2.02 135.00 141.57 1m8c s PRO 22 Ca 0.03 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1m8c s PRO 22 Cb -0.15 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 32.09 1m8c s PRO 22 CO -0.08 -0.26 0.69 -0.48 0.04 0.00 0.00 177.00 176.92 1m8c s LEU 23 N -2.96 -0.68 -0.09 -3.56 2.34 -0.55 0.25 118.68 113.42 1m8c s LEU 23 Ca 0.61 1.01 -0.05 0.00 0.06 0.00 0.00 54.13 55.76 1m8c s LEU 23 Cb -0.20 2.50 -0.04 0.00 -0.56 0.00 0.00 46.19 47.89 1m8c s LEU 23 CO 0.25 -0.46 0.10 0.00 -1.06 0.00 0.00 176.35 175.18 1m8c s GLY 25 N -1.15 1.85 0.56 0.00 0.00 0.30 -0.12 107.32 108.76 1m8c s GLY 25 Ca 0.16 -1.46 0.29 0.00 0.00 0.00 0.00 44.72 43.72 1m8c s GLY 25 CO 0.06 -1.23 2.16 0.23 0.00 0.00 0.00 173.10 174.31 1m8c h SER 26 N 0.36 0.00 0.05 1.64 0.87 -1.58 0.30 113.55 115.18 1m8c h SER 26 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1m8c h SER 26 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1m8c h SER 26 CO 0.49 0.07 -0.02 -0.90 -0.53 0.00 0.00 176.83 175.94 1m8c n ASP 27 N -3.68 0.78 -0.34 6.23 5.75 -1.26 -4.88 116.55 119.15 1m8c n ASP 27 Ca -0.02 -1.17 -0.01 0.00 -0.01 0.00 0.00 54.79 53.58 1m8c n ASP 27 Cb 0.17 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8c n ASN 28 N -0.44 -1.65 -4.77 -1.12 5.15 0.11 -5.03 115.26 107.51 1m8c n ASN 28 Ca 0.20 -0.01 -0.38 0.00 -0.60 0.00 0.00 54.58 53.79 1m8c n ASN 28 Cb 0.25 -0.79 -0.06 0.00 -0.53 0.00 0.00 39.78 38.66 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m8c s LYS 29 N -4.42 4.22 -0.52 1.20 2.20 -1.24 -4.78 119.74 116.40 1m8c s LYS 29 Ca 0.01 0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 55.99 1m8c s LYS 29 Cb -0.01 -3.34 0.07 0.00 -1.51 0.00 0.00 37.83 33.05 1m8c s LYS 29 CO 0.02 0.39 0.60 0.99 -0.36 0.00 0.00 175.35 176.99 1m8c s THR 30 N -0.18 4.93 0.18 3.43 2.01 -1.26 -0.54 115.64 124.22 1m8c s THR 30 Ca 0.27 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1m8c s THR 30 Cb -0.17 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1m8c s THR 30 CO 0.14 -0.84 0.36 -0.31 -0.69 0.00 0.00 174.62 173.27 1m8c s TYR 31 N 2.44 3.48 -0.14 4.92 2.02 0.55 -4.96 117.35 125.67 1m8c s TYR 31 Ca 0.12 0.27 0.17 0.00 -0.37 0.00 0.00 57.07 57.27 1m8c s TYR 31 Cb -0.22 -1.80 -0.24 0.00 -0.40 0.00 0.00 41.96 39.31 1m8c s TYR 31 CO 0.09 0.42 0.32 0.41 -1.57 0.00 0.00 175.55 175.23 1m8c n GLY 32 N -0.62 -1.03 3.35 0.71 0.00 -1.26 -1.49 105.19 104.87 1m8c n GLY 32 Ca -0.05 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1m8c n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m8c s ASN 33 N -5.50 0.05 0.37 1.61 3.84 -0.86 0.26 114.94 114.72 1m8c s ASN 33 Ca -0.08 -1.03 0.18 0.00 0.21 0.00 0.00 52.86 52.14 1m8c s ASN 33 Cb 0.08 0.45 0.69 0.00 -0.55 0.00 0.00 41.25 41.92 1m8c s ASN 33 CO 0.84 -0.93 1.75 0.11 -2.79 0.00 0.00 177.10 176.07 1m8c h LYS 34 N 2.52 0.00 -0.30 0.43 6.56 -1.93 -1.33 116.57 122.52 1m8c h LYS 34 Ca -0.31 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.24 1m8c h LYS 34 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1m8c h LYS 34 CO 0.47 0.39 0.04 0.00 -2.06 0.00 0.00 179.45 178.29 1m8c h ASN 36 N 0.32 0.48 0.06 0.00 -0.73 -1.92 -0.88 115.58 112.91 1m8c h ASN 36 Ca 0.09 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.06 1m8c h ASN 36 Cb 0.35 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1m8c h ASN 36 CO 0.01 0.82 -0.03 0.15 -0.37 0.00 0.00 177.43 178.01 1m8c h PHE 37 N 0.38 -0.07 -0.20 0.67 3.04 -0.86 -0.99 116.94 118.91 1m8c h PHE 37 Ca 0.04 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1m8c h PHE 37 Cb 0.84 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1m8c h PHE 37 CO 0.03 0.16 -0.06 0.00 -2.02 0.00 0.00 178.31 176.42 1m8c h ASN 39 N 0.29 0.71 -0.12 0.00 -1.24 -0.79 0.37 115.58 114.81 1m8c h ASN 39 Ca 0.06 -0.10 -0.21 0.00 0.71 0.00 0.00 56.30 56.76 1m8c h ASN 39 Cb 0.30 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 39.18 1m8c h ASN 39 CO 0.01 0.61 -0.73 0.00 -1.29 0.00 0.00 177.43 176.03 1m8c h ALA 40 N 1.13 0.38 -0.80 1.57 0.00 -0.34 -3.04 119.26 118.16 1m8c h ALA 40 Ca 0.20 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1m8c h ALA 40 Cb 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1m8c h ALA 40 CO -0.03 0.69 0.46 0.28 0.00 0.00 0.00 179.25 180.65 1m8c h VAL 41 N 0.53 0.93 -0.67 0.00 2.07 -0.07 0.15 116.25 119.20 1m8c h VAL 41 Ca -0.04 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1m8c h VAL 41 Cb 1.35 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1m8c h VAL 41 CO 0.15 0.14 0.44 1.62 0.02 0.00 0.00 177.57 179.95 1m8c h VAL 42 N 0.79 1.15 0.00 2.57 3.04 -0.86 0.42 116.25 123.37 1m8c h VAL 42 Ca 0.38 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1m8c h VAL 42 Cb 0.31 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1m8c h VAL 42 CO -0.23 0.16 0.00 -0.08 -1.01 0.00 0.00 177.57 176.41 1m8c h GLU 43 N 0.88 0.00 -0.83 4.17 4.22 -0.64 -2.31 114.58 120.07 1m8c h GLU 43 Ca 0.25 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.50 1m8c h GLU 43 Cb -0.06 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.08 1m8c h GLU 43 CO -0.06 0.00 0.25 0.43 -2.18 0.00 0.00 179.01 177.45 1m8c n SER 44 N -3.04 4.15 -0.08 1.04 7.64 0.56 -4.82 113.62 119.07 1m8c n SER 44 Ca 0.01 -2.98 -0.01 0.00 1.01 0.00 0.00 58.87 56.90 1m8c n SER 44 Cb 0.32 -0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1m8c n ASN 45 N -0.13 -4.81 -0.17 6.43 3.02 -0.87 -1.37 115.26 117.37 1m8c n ASN 45 Ca 0.34 0.03 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 1m8c n ASN 45 Cb 1.20 -2.41 -0.01 0.00 -0.61 0.00 0.00 39.78 37.95 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8c n GLY 46 N -0.62 0.56 0.11 7.41 0.00 0.12 -4.92 105.19 107.85 1m8c n GLY 46 Ca -0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1m8c n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m8c n THR 47 N -2.91 1.60 -1.23 2.61 -2.24 -0.47 -4.95 114.28 106.70 1m8c n THR 47 Ca -0.02 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 1m8c n THR 47 Cb 0.09 -1.96 0.01 0.00 -2.10 0.00 0.00 70.33 66.37 1m8c n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1m8c n LEU 48 N -4.18 -3.78 0.00 3.22 7.94 -1.25 -4.98 117.00 113.97 1m8c n LEU 48 Ca -0.33 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1m8c n LEU 48 Cb 0.78 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1m8c n LEU 48 CO 0.24 -4.83 0.00 0.35 -1.11 0.00 0.00 177.39 172.04 1m8c n THR 49 N -1.55 0.00 -3.80 1.96 -2.24 -1.26 -4.94 114.28 102.45 1m8c n THR 49 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 1m8c n THR 49 Cb 0.47 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.57 1m8c n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8c s LEU 50 N 0.00 4.01 0.01 3.22 2.96 -1.26 -1.57 118.68 126.05 1m8c s LEU 50 Ca 0.00 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 52.80 1m8c s LEU 50 Cb 0.00 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 1m8c s LEU 50 CO 0.00 -0.26 1.09 0.77 -1.32 0.00 0.00 176.35 176.63 1m8c h SER 51 N 8.17 -0.31 -5.18 3.68 4.64 -0.65 -3.42 113.55 120.48 1m8c h SER 51 Ca -0.26 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1m8c h SER 51 Cb 1.09 0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 1m8c h SER 51 CO 0.59 -0.21 -0.06 -1.38 -0.87 0.00 0.00 176.83 174.90 1m8c s HIS 52 N -3.68 0.21 0.95 4.77 0.00 -1.04 -4.84 115.29 111.66 1m8c s HIS 52 Ca -0.05 -0.58 -0.14 0.00 -3.00 0.00 0.00 55.06 51.29 1m8c s HIS 52 Cb 0.01 0.28 0.16 0.00 -4.00 0.00 0.00 32.58 29.03 1m8c s HIS 52 CO 0.16 -1.00 1.16 -0.06 -1.00 0.00 0.00 174.74 174.00 1m8c s PHE 53 N -3.98 2.14 0.25 0.38 0.40 -1.26 -0.28 117.98 115.64 1m8c s PHE 53 Ca 0.18 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 1m8c s PHE 53 Cb -0.01 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.02 1m8c s PHE 53 CO 0.06 -2.59 0.00 0.41 0.70 0.00 0.00 175.22 173.80 1m8c n GLY 54 N -2.26 -1.68 3.77 4.36 0.00 0.14 -4.42 105.19 105.09 1m8c n GLY 54 Ca 0.08 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 1m8c n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m8c s LYS 55 N -1.69 3.71 0.00 1.61 1.02 -1.26 -2.00 119.74 121.13 1m8c s LYS 55 Ca 0.00 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.87 1m8c s LYS 55 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1m8c s LYS 55 CO 0.00 -0.62 0.16 0.00 -0.92 0.00 0.00 175.35 173.97