#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c n ALA 2 N 0.00 -2.33 -2.02 -1.18 0.00 -1.26 -4.77 120.51 108.95 1m8c n ALA 2 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1m8c n ALA 2 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 1m8c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n ALA 3 N -0.23 6.55 -0.54 0.00 0.00 -1.26 -4.97 120.51 120.05 1m8c n ALA 3 Ca -0.08 -4.10 -0.29 0.00 0.00 0.00 0.00 53.44 48.96 1m8c n ALA 3 Cb 0.68 -2.86 0.23 0.00 0.00 0.00 0.00 19.45 17.50 1m8c n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m8c n VAL 4 N 2.19 0.00 -4.58 0.00 0.24 -1.26 -5.04 118.33 109.88 1m8c n VAL 4 Ca 0.59 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.34 62.36 1m8c n VAL 4 Cb 0.27 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 31.51 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1m8c s SER 5 N -2.47 1.75 -0.14 -1.34 0.15 -1.26 -4.85 113.70 105.54 1m8c s SER 5 Ca 0.68 -0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.88 1m8c s SER 5 Cb -0.25 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 63.85 1m8c s SER 5 CO 0.63 0.14 0.22 -0.69 1.20 0.00 0.00 173.24 174.73 1m8c s VAL 6 N -0.52 5.36 -0.10 4.45 1.01 -1.26 -5.08 120.40 124.27 1m8c s VAL 6 Ca 0.05 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1m8c s VAL 6 Cb -0.06 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1m8c s VAL 6 CO 0.00 0.49 0.27 -0.62 0.00 0.00 0.00 175.10 175.24 1m8c s ASP 7 N -0.17 6.52 -0.04 3.32 -1.08 -1.26 -4.95 116.67 119.02 1m8c s ASP 7 Ca 0.14 0.62 0.06 0.00 -0.52 0.00 0.00 52.55 52.85 1m8c s ASP 7 Cb -0.13 -2.16 0.09 0.00 -1.46 0.00 0.00 42.92 39.26 1m8c s ASP 7 CO 0.03 0.26 0.94 0.00 0.52 0.00 0.00 175.17 176.93 1m8c n SER 9 N -0.57 0.31 -0.08 0.00 7.64 -1.26 -4.19 113.62 115.47 1m8c n SER 9 Ca 0.05 0.15 -0.09 0.00 1.01 0.00 0.00 58.87 59.98 1m8c n SER 9 Cb 0.52 0.70 -0.16 0.00 -1.01 0.00 0.00 64.21 64.26 1m8c n SER 9 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1m8c n GLU 10 N -2.81 0.68 -3.86 1.43 -0.58 -1.26 -4.71 120.64 109.51 1m8c n GLU 10 Ca -0.25 0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.24 1m8c n GLU 10 Cb 1.07 -1.57 -0.13 0.00 -0.57 0.00 0.00 31.44 30.24 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 -2.54 3.02 0.75 -0.32 2.02 -1.26 -5.07 117.35 113.94 1m8c s TYR 11 Ca -0.09 -3.07 -0.11 0.00 -0.37 0.00 0.00 57.07 53.43 1m8c s TYR 11 Cb 0.07 -2.53 0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1m8c s TYR 11 CO 0.83 -0.68 1.08 -1.25 -1.57 0.00 0.00 175.55 173.96 1m8c s PRO 12 N -0.59 2.51 0.48 -1.71 0.04 -1.23 -4.34 135.00 130.16 1m8c s PRO 12 Ca 0.21 0.80 0.33 0.00 0.04 0.00 0.00 61.00 62.38 1m8c s PRO 12 Cb -0.16 -1.95 1.64 0.00 0.04 0.00 0.00 34.50 34.06 1m8c s PRO 12 CO -0.07 -1.36 2.00 1.57 0.04 0.00 0.00 177.00 179.17 1m8c h LYS 13 N -0.91 0.00 -0.64 4.56 2.10 -1.89 0.22 116.57 120.02 1m8c h LYS 13 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1m8c h LYS 13 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1m8c h LYS 13 CO 0.58 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.56 1m8c n ASP 14 N -2.72 3.62 -3.15 7.07 -0.08 -1.26 -4.65 116.55 115.37 1m8c n ASP 14 Ca -0.01 -2.39 0.04 0.00 -1.51 0.00 0.00 54.79 50.92 1m8c n ASP 14 Cb 0.13 -0.52 -0.00 0.00 2.34 0.00 0.00 41.12 43.08 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8c s ALA 15 N -1.86 -2.77 0.00 -1.67 0.00 0.77 -5.04 121.76 111.19 1m8c s ALA 15 Ca 0.35 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1m8c s ALA 15 Cb 0.24 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1m8c s ALA 15 CO 0.15 -1.72 0.00 0.00 0.00 0.00 0.00 175.76 174.19 1m8c s THR 17 N 0.00 2.92 0.00 0.00 -4.23 -1.26 -4.72 115.64 108.35 1m8c s THR 17 Ca 0.00 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1m8c s THR 17 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1m8c s THR 17 CO 0.00 -0.18 0.00 -0.11 -0.54 0.00 0.00 174.62 173.79 1m8c n LEU 18 N -0.10 0.00 -4.72 4.79 0.00 -1.26 -4.92 117.00 110.78 1m8c n LEU 18 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.49 1m8c n LEU 18 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.96 1m8c n LEU 18 CO 0.35 0.00 1.16 -1.83 0.00 0.00 0.00 177.39 177.07 1m8c s GLU 19 N 0.00 4.25 -0.15 1.96 -1.05 -1.26 -5.00 118.70 117.45 1m8c s GLU 19 Ca 0.00 2.27 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 1m8c s GLU 19 Cb 0.00 -3.17 0.02 0.00 -0.44 0.00 0.00 34.13 30.54 1m8c s GLU 19 CO 0.00 -0.53 -0.14 -0.47 0.95 0.00 0.00 175.26 175.07 1m8c s TYR 20 N 0.95 2.24 -0.18 4.83 6.14 -1.26 -4.90 117.35 125.17 1m8c s TYR 20 Ca 0.67 -1.28 -0.05 0.00 0.64 0.00 0.00 57.07 57.05 1m8c s TYR 20 Cb -0.41 -1.63 0.07 0.00 0.42 0.00 0.00 41.96 40.40 1m8c s TYR 20 CO 0.33 -0.69 0.10 1.03 0.64 0.00 0.00 175.55 176.96 1m8c s ARG 21 N 1.46 0.08 0.21 4.97 3.00 0.74 -5.01 118.95 124.39 1m8c s ARG 21 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 55.73 55.39 1m8c s ARG 21 Cb -0.13 -1.73 -0.08 0.00 0.00 0.00 0.00 34.95 33.01 1m8c s ARG 21 CO -0.11 -0.69 1.11 -1.25 0.00 0.00 0.00 175.30 174.36 1m8c s PRO 22 N 2.15 4.60 0.17 3.54 0.04 -1.26 -1.36 135.00 142.89 1m8c s PRO 22 Ca 0.03 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1m8c s PRO 22 Cb -0.16 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1m8c s PRO 22 CO -0.11 0.11 0.02 -0.51 0.04 0.00 0.00 177.00 176.54 1m8c s LEU 23 N -0.67 2.01 -0.05 -3.56 1.02 -0.59 0.87 118.68 117.71 1m8c s LEU 23 Ca 0.48 -1.20 0.02 0.00 0.02 0.00 0.00 54.13 53.45 1m8c s LEU 23 Cb -0.30 0.01 0.01 0.00 0.02 0.00 0.00 46.19 45.93 1m8c s LEU 23 CO 0.37 -0.61 -0.10 0.00 0.02 0.00 0.00 176.35 176.03 1m8c s GLY 25 N 0.66 1.55 0.52 0.00 0.00 0.13 0.11 107.32 110.29 1m8c s GLY 25 Ca -0.12 -1.17 0.19 0.00 0.00 0.00 0.00 44.72 43.61 1m8c s GLY 25 CO 0.02 -1.04 2.15 0.23 0.00 0.00 0.00 173.10 174.46 1m8c h SER 26 N 0.59 0.00 0.35 1.64 0.87 -0.56 0.46 113.55 116.90 1m8c h SER 26 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1m8c h SER 26 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1m8c h SER 26 CO 0.56 0.03 0.00 -0.90 -0.53 0.00 0.00 176.83 175.99 1m8c n ASP 27 N -4.35 0.00 -0.09 6.23 5.75 -1.26 -4.85 116.55 117.98 1m8c n ASP 27 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1m8c n ASP 27 Cb 0.11 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.18 -1.04 -4.82 -1.12 5.15 0.16 -5.04 115.26 107.37 1m8c n ASN 28 Ca 0.17 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.78 1m8c n ASN 28 Cb 0.19 -0.44 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 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 -3.77 4.21 -0.34 1.20 2.20 -1.23 -4.79 119.74 117.23 1m8c s LYS 29 Ca 0.00 0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 56.30 1m8c s LYS 29 Cb 0.00 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1m8c s LYS 29 CO 0.00 0.49 0.15 0.99 -0.36 0.00 0.00 175.35 176.63 1m8c s THR 30 N -1.37 4.34 0.34 3.43 2.01 -1.26 -0.70 115.64 122.43 1m8c s THR 30 Ca 0.38 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1m8c s THR 30 Cb -0.18 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1m8c s THR 30 CO 0.21 -0.10 0.37 -0.31 -0.69 0.00 0.00 174.62 174.09 1m8c s TYR 31 N 1.53 2.96 0.00 4.92 2.02 -0.30 -4.94 117.35 123.54 1m8c s TYR 31 Ca 0.02 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1m8c s TYR 31 Cb -0.18 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1m8c s TYR 31 CO 0.05 0.08 0.42 0.41 -1.57 0.00 0.00 175.55 174.94 1m8c n GLY 32 N -1.49 -1.12 3.50 0.71 0.00 -1.25 -1.54 105.19 103.99 1m8c n GLY 32 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1m8c n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8c s ASN 33 N -0.14 -0.42 0.28 1.61 0.01 -0.47 -0.19 114.94 115.63 1m8c s ASN 33 Ca 0.00 0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 1m8c s ASN 33 Cb 0.00 0.43 0.42 0.00 0.41 0.00 0.00 41.25 42.51 1m8c s ASN 33 CO 0.00 -0.66 1.71 0.11 -1.51 0.00 0.00 177.10 176.76 1m8c h LYS 34 N 2.12 0.42 -0.26 -0.60 6.56 -1.94 -1.20 116.57 121.67 1m8c h LYS 34 Ca -0.24 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.16 1m8c h LYS 34 Cb 1.24 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1m8c h LYS 34 CO 0.33 0.68 0.10 0.00 -2.06 0.00 0.00 179.45 178.49 1m8c h ASN 36 N 0.26 0.70 -0.04 0.00 -1.24 -1.85 0.17 115.58 113.59 1m8c h ASN 36 Ca 0.09 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1m8c h ASN 36 Cb 0.20 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1m8c h ASN 36 CO -0.01 0.59 -0.00 0.15 -1.29 0.00 0.00 177.43 176.87 1m8c h PHE 37 N 0.79 0.07 0.00 0.67 3.04 -0.58 -2.19 116.94 118.74 1m8c h PHE 37 Ca 0.20 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1m8c h PHE 37 Cb 0.06 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1m8c h PHE 37 CO 0.01 0.38 -0.16 0.00 -2.02 0.00 0.00 178.31 176.52 1m8c h ASN 39 N 0.00 0.57 0.05 0.00 -0.73 -0.32 0.27 115.58 115.42 1m8c h ASN 39 Ca -0.00 -0.12 -0.19 0.00 1.87 0.00 0.00 56.30 57.86 1m8c h ASN 39 Cb 0.30 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1m8c h ASN 39 CO 0.02 0.52 -0.71 0.00 -0.37 0.00 0.00 177.43 176.89 1m8c h ALA 40 N 1.07 0.51 -0.39 1.57 0.00 -0.71 -2.72 119.26 118.58 1m8c h ALA 40 Ca 0.15 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1m8c h ALA 40 Cb 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1m8c h ALA 40 CO -0.02 0.72 0.12 0.28 0.00 0.00 0.00 179.25 180.35 1m8c h VAL 41 N 0.41 0.85 -0.16 0.00 2.07 -0.38 0.48 116.25 119.52 1m8c h VAL 41 Ca -0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1m8c h VAL 41 Cb 1.30 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1m8c h VAL 41 CO 0.13 0.05 -0.03 0.58 0.02 0.00 0.00 177.57 178.32 1m8c h VAL 42 N 0.26 1.12 0.00 2.57 2.07 -0.91 1.20 116.25 122.57 1m8c h VAL 42 Ca 0.18 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1m8c h VAL 42 Cb 0.19 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1m8c h VAL 42 CO -0.21 0.16 -0.47 -0.08 0.02 0.00 0.00 177.57 177.00 1m8c h GLU 43 N 0.23 0.00 -0.79 1.57 4.22 -0.54 -2.81 114.58 116.45 1m8c h GLU 43 Ca 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1m8c h GLU 43 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1m8c h GLU 43 CO 0.01 0.47 0.04 0.43 -2.18 0.00 0.00 179.01 177.77 1m8c n SER 44 N -3.44 3.62 0.00 1.04 7.64 0.14 -4.81 113.62 117.80 1m8c n SER 44 Ca 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1m8c n SER 44 Cb 0.61 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.27 -4.21 0.00 6.43 4.13 -1.06 -1.33 115.26 119.48 1m8c n ASN 45 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1m8c n ASN 45 Cb 0.82 -2.09 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8c n GLY 46 N -0.90 0.58 0.11 7.41 0.00 0.40 -4.96 105.19 107.84 1m8c n GLY 46 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m8c h THR 47 N 0.00 0.94 -1.08 2.61 2.02 -1.33 -3.48 112.91 112.60 1m8c h THR 47 Ca 0.00 -2.28 -0.67 0.00 0.77 0.00 0.00 66.41 64.23 1m8c h THR 47 Cb 0.00 2.48 0.11 0.00 -1.74 0.00 0.00 68.15 69.00 1m8c h THR 47 CO 0.00 0.55 -0.49 -0.11 0.37 0.00 0.00 175.52 175.84 1m8c n LEU 48 N -4.12 -1.07 -4.52 2.58 7.94 -1.26 -4.96 117.00 111.59 1m8c n LEU 48 Ca -0.29 1.13 -0.24 0.00 -1.11 0.00 0.00 56.01 55.50 1m8c n LEU 48 Cb 0.80 -0.97 -0.10 0.00 0.53 0.00 0.00 43.42 43.68 1m8c n LEU 48 CO 0.30 -2.89 -0.27 0.42 -1.11 0.00 0.00 177.39 173.84 1m8c s THR 49 N -1.00 1.34 -0.47 1.96 -4.23 -1.26 -4.88 115.64 107.11 1m8c s THR 49 Ca 0.64 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1m8c s THR 49 Cb -0.92 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.20 1m8c s THR 49 CO 0.56 0.00 0.47 -0.22 -0.54 0.00 0.00 174.62 174.89 1m8c s LEU 50 N -3.58 5.24 0.19 4.79 2.96 -1.26 0.18 118.68 127.21 1m8c s LEU 50 Ca 0.33 -1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 1m8c s LEU 50 Cb 0.08 -2.30 0.11 0.00 0.50 0.00 0.00 46.19 44.58 1m8c s LEU 50 CO 0.15 -0.70 1.72 0.28 -1.32 0.00 0.00 176.35 176.49 1m8c h SER 51 N 8.81 1.02 -1.70 3.68 0.02 -0.48 -3.44 113.55 121.46 1m8c h SER 51 Ca -0.28 -0.22 0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1m8c h SER 51 Cb 1.11 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 1m8c h SER 51 CO 0.88 0.97 0.66 0.00 -1.14 0.00 0.00 176.83 178.19 1m8c n HIS 52 N -4.29 -0.41 -2.81 3.45 -0.00 -0.81 -4.98 115.22 105.37 1m8c n HIS 52 Ca 0.05 -0.58 -0.21 0.00 -0.00 0.00 0.00 57.72 56.97 1m8c n HIS 52 Cb 0.23 0.27 0.08 0.00 -0.00 0.00 0.00 29.99 30.57 1m8c n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1m8c s PHE 53 N -2.37 1.72 0.42 -1.40 0.08 -1.26 -0.89 117.98 114.28 1m8c s PHE 53 Ca 0.22 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1m8c s PHE 53 Cb -0.01 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1m8c s PHE 53 CO 0.00 -1.31 0.00 0.41 -0.10 0.00 0.00 175.22 174.22 1m8c n GLY 54 N -2.47 -2.23 3.43 4.36 0.00 0.25 -4.49 105.19 104.03 1m8c n GLY 54 Ca 0.14 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 1m8c n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m8c n LYS 55 N -3.89 0.37 0.00 1.61 -0.00 -1.26 -3.57 118.16 111.42 1m8c n LYS 55 Ca -0.04 0.13 0.04 0.00 -0.00 0.00 0.00 58.31 58.44 1m8c n LYS 55 Cb 0.61 -1.27 0.23 0.00 -0.00 0.00 0.00 35.03 34.61 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40