#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 -2.45 -2.46 -1.18 0.00 -1.26 -4.91 120.51 108.25 1m8c n ALA 2 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1m8c n ALA 2 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 1m8c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c s ALA 3 N -1.91 3.62 0.08 0.00 0.00 -1.26 -5.09 121.76 117.20 1m8c s ALA 3 Ca 0.28 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1m8c s ALA 3 Cb -0.03 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1m8c s ALA 3 CO 0.88 0.53 -0.20 0.08 0.00 0.00 0.00 175.76 177.05 1m8c s VAL 4 N -1.71 1.63 -0.29 0.00 1.01 -1.26 -5.03 120.40 114.75 1m8c s VAL 4 Ca 0.44 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 1m8c s VAL 4 Cb -0.12 -1.47 0.17 0.00 0.00 0.00 0.00 36.38 34.96 1m8c s VAL 4 CO 0.21 -0.01 1.30 -0.55 0.00 0.00 0.00 175.10 176.05 1m8c s SER 5 N -1.68 -0.18 0.14 3.32 0.15 -1.26 -3.02 113.70 111.16 1m8c s SER 5 Ca 0.06 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 57.03 1m8c s SER 5 Cb -0.10 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1m8c s SER 5 CO 0.03 -0.07 0.32 0.68 1.20 0.00 0.00 173.24 175.40 1m8c s VAL 6 N -0.05 5.26 -0.19 4.45 -7.23 -1.26 -5.00 120.40 116.39 1m8c s VAL 6 Ca 0.06 -0.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1m8c s VAL 6 Cb -0.04 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1m8c s VAL 6 CO -0.12 -0.03 1.08 -0.62 -0.31 0.00 0.00 175.10 175.10 1m8c s ASP 7 N -2.85 7.10 0.00 4.85 -1.08 -1.26 -4.86 116.67 118.57 1m8c s ASP 7 Ca 0.37 1.48 0.17 0.00 -0.52 0.00 0.00 52.55 54.06 1m8c s ASP 7 Cb -0.12 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 1m8c s ASP 7 CO 0.28 -0.64 0.85 0.00 0.52 0.00 0.00 175.17 176.17 1m8c h SER 9 N 1.30 0.00 0.00 0.00 0.02 -2.01 -2.69 113.55 110.16 1m8c h SER 9 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1m8c h SER 9 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1m8c h SER 9 CO 0.00 0.02 -1.39 -0.62 -1.14 0.00 0.00 176.83 173.70 1m8c n GLU 10 N -3.11 0.65 -3.46 3.45 -0.58 -1.26 -4.74 120.64 111.60 1m8c n GLU 10 Ca 0.01 -0.09 -0.28 0.00 -0.42 0.00 0.00 57.16 56.38 1m8c n GLU 10 Cb 0.36 -1.43 -0.11 0.00 -0.57 0.00 0.00 31.44 29.69 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 -3.07 1.01 0.60 -0.32 2.02 -1.03 -5.10 117.35 111.47 1m8c s TYR 11 Ca 0.00 -2.00 -0.15 0.00 -0.37 0.00 0.00 57.07 54.55 1m8c s TYR 11 Cb 0.14 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1m8c s TYR 11 CO 0.80 -0.82 1.05 -1.25 -1.57 0.00 0.00 175.55 173.76 1m8c s PRO 12 N 0.55 3.32 0.66 -1.71 0.04 -1.16 -4.54 135.00 132.16 1m8c s PRO 12 Ca 0.24 1.13 0.44 0.00 0.04 0.00 0.00 61.00 62.85 1m8c s PRO 12 Cb -0.11 -2.04 2.41 0.00 0.04 0.00 0.00 34.50 34.80 1m8c s PRO 12 CO -0.08 -0.80 2.37 -0.22 0.04 0.00 0.00 177.00 178.30 1m8c h LYS 13 N 0.27 0.00 -0.63 4.56 3.64 -1.87 0.61 116.57 123.15 1m8c h LYS 13 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 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 -3.13 3.25 -3.15 4.20 9.92 -1.26 -4.62 116.55 121.76 1m8c n ASP 14 Ca -0.03 -2.34 0.04 0.00 -0.53 0.00 0.00 54.79 51.94 1m8c n ASP 14 Cb 0.07 -0.49 -0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m8c s ALA 15 N -1.80 -2.70 0.00 2.24 0.00 0.21 -5.00 121.76 114.72 1m8c s ALA 15 Ca 0.31 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1m8c s ALA 15 Cb 0.21 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1m8c s ALA 15 CO 0.14 -1.80 0.00 0.00 0.00 0.00 0.00 175.76 174.09 1m8c s THR 17 N 0.00 4.94 0.00 0.00 -4.23 -1.26 -4.23 115.64 110.87 1m8c s THR 17 Ca 0.00 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1m8c s THR 17 Cb 0.00 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1m8c s THR 17 CO 0.00 0.41 0.00 -0.11 -0.54 0.00 0.00 174.62 174.38 1m8c n LEU 18 N 1.30 0.00 -4.56 4.79 0.00 -1.26 -4.91 117.00 112.37 1m8c n LEU 18 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.53 1m8c n LEU 18 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.91 1m8c n LEU 18 CO 0.41 0.00 1.76 -1.83 0.00 0.00 0.00 177.39 177.72 1m8c s GLU 19 N 0.00 2.53 -0.23 1.96 -1.05 -1.26 -4.94 118.70 115.72 1m8c s GLU 19 Ca 0.00 1.05 -0.04 0.00 -0.15 0.00 0.00 54.97 55.82 1m8c s GLU 19 Cb 0.00 -4.44 -0.01 0.00 -0.44 0.00 0.00 34.13 29.24 1m8c s GLU 19 CO 0.00 -2.81 -0.02 -0.47 0.95 0.00 0.00 175.26 172.91 1m8c s TYR 20 N 9.93 2.99 -0.23 4.83 5.04 -1.26 -4.91 117.35 133.74 1m8c s TYR 20 Ca 0.81 -0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1m8c s TYR 20 Cb -0.16 -2.13 0.11 0.00 0.35 0.00 0.00 41.96 40.12 1m8c s TYR 20 CO 0.25 -0.52 0.26 -0.98 -1.34 0.00 0.00 175.55 173.21 1m8c s ARG 21 N 1.50 0.24 0.43 4.97 3.03 0.12 -5.04 118.95 124.20 1m8c s ARG 21 Ca 0.06 0.14 -0.23 0.00 2.03 0.00 0.00 55.73 57.73 1m8c s ARG 21 Cb -0.15 -0.98 -0.09 0.00 -1.03 0.00 0.00 34.95 32.70 1m8c s ARG 21 CO -0.02 -0.76 1.05 -1.25 -1.13 0.00 0.00 175.30 173.19 1m8c s PRO 22 N 2.36 4.04 0.26 3.89 0.04 -1.05 -2.46 135.00 142.08 1m8c s PRO 22 Ca 0.08 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 1m8c s PRO 22 Cb -0.15 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1m8c s PRO 22 CO -0.18 -0.24 0.36 -0.48 0.04 0.00 0.00 177.00 176.49 1m8c s LEU 23 N -2.92 0.83 0.04 -3.56 2.34 -0.54 0.70 118.68 115.57 1m8c s LEU 23 Ca 0.61 -1.26 0.08 0.00 0.06 0.00 0.00 54.13 53.62 1m8c s LEU 23 Cb -0.20 1.19 -0.03 0.00 -0.56 0.00 0.00 46.19 46.59 1m8c s LEU 23 CO 0.25 -1.08 -0.22 0.00 -1.06 0.00 0.00 176.35 174.24 1m8c s GLY 25 N -1.17 1.86 0.31 0.00 0.00 0.13 -0.43 107.32 108.02 1m8c s GLY 25 Ca 0.08 -1.90 0.26 0.00 0.00 0.00 0.00 44.72 43.16 1m8c s GLY 25 CO 0.02 -1.61 1.77 0.23 0.00 0.00 0.00 173.10 173.50 1m8c h SER 26 N 0.43 0.00 -0.16 1.64 0.87 -0.58 -0.91 113.55 114.84 1m8c h SER 26 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1m8c h SER 26 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1m8c h SER 26 CO 0.44 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.84 1m8c n ASP 27 N -2.41 2.86 0.00 6.23 5.75 -1.26 -4.91 116.55 122.81 1m8c n ASP 27 Ca 0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1m8c n ASP 27 Cb 0.25 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.17 -1.47 -4.73 -1.12 5.15 -0.35 -5.02 115.26 108.90 1m8c n ASN 28 Ca 0.17 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.75 1m8c n ASN 28 Cb 0.55 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 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 -3.24 4.45 -0.45 1.20 2.20 -1.25 -4.75 119.74 117.90 1m8c s LYS 29 Ca 0.00 0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 56.41 1m8c s LYS 29 Cb 0.00 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1m8c s LYS 29 CO 0.00 0.15 0.36 0.99 -0.36 0.00 0.00 175.35 176.49 1m8c s THR 30 N 0.47 5.22 0.34 3.43 2.01 -1.26 0.22 115.64 126.07 1m8c s THR 30 Ca 0.38 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1m8c s THR 30 Cb -0.19 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1m8c s THR 30 CO 0.20 -0.48 0.51 -0.31 -0.69 0.00 0.00 174.62 173.85 1m8c s TYR 31 N 1.65 3.26 -0.11 4.92 2.02 -0.20 -4.93 117.35 123.96 1m8c s TYR 31 Ca 0.04 0.00 0.16 0.00 -0.37 0.00 0.00 57.07 56.91 1m8c s TYR 31 Cb -0.22 -1.97 -0.22 0.00 -0.40 0.00 0.00 41.96 39.15 1m8c s TYR 31 CO 0.08 0.02 0.51 0.41 -1.57 0.00 0.00 175.55 175.00 1m8c n GLY 32 N -1.72 -1.06 3.57 0.71 0.00 -1.26 -1.47 105.19 103.96 1m8c n GLY 32 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.70 -0.12 0.41 1.61 -0.87 -1.03 -0.71 114.94 108.54 1m8c s ASN 33 Ca -0.06 -0.83 0.18 0.00 -1.57 0.00 0.00 52.86 50.58 1m8c s ASN 33 Cb 0.08 0.58 0.89 0.00 -0.02 0.00 0.00 41.25 42.78 1m8c s ASN 33 CO 0.83 -1.11 1.87 0.11 -2.57 0.00 0.00 177.10 176.22 1m8c h LYS 34 N 2.26 0.00 -0.28 -0.60 6.56 -1.95 -1.44 116.57 121.12 1m8c h LYS 34 Ca -0.27 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.30 1m8c h LYS 34 Cb 1.25 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1m8c h LYS 34 CO 0.36 0.31 0.09 0.00 -2.06 0.00 0.00 179.45 178.15 1m8c h ASN 36 N 0.29 0.75 0.25 0.00 -1.24 -1.84 -0.30 115.58 113.48 1m8c h ASN 36 Ca 0.09 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 1m8c h ASN 36 Cb 0.23 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1m8c h ASN 36 CO -0.00 0.87 -0.12 0.15 -1.29 0.00 0.00 177.43 177.04 1m8c h PHE 37 N 0.70 -0.31 0.00 0.67 3.57 -0.81 -1.58 116.94 119.18 1m8c h PHE 37 Ca 0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1m8c h PHE 37 Cb 0.55 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1m8c h PHE 37 CO 0.03 -0.11 -0.12 0.00 -2.23 0.00 0.00 178.31 175.88 1m8c h ASN 39 N 0.00 0.57 0.02 0.00 -1.24 -0.39 0.38 115.58 114.91 1m8c h ASN 39 Ca -0.00 -0.11 -0.20 0.00 0.71 0.00 0.00 56.30 56.70 1m8c h ASN 39 Cb 0.24 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1m8c h ASN 39 CO 0.02 0.52 -0.73 0.00 -1.29 0.00 0.00 177.43 175.94 1m8c h ALA 40 N 1.08 0.46 -0.50 1.57 0.00 -0.34 -2.87 119.26 118.65 1m8c h ALA 40 Ca 0.15 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1m8c h ALA 40 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1m8c h ALA 40 CO -0.02 0.72 0.20 0.28 0.00 0.00 0.00 179.25 180.42 1m8c h VAL 41 N 0.44 0.86 -0.92 0.00 2.07 -0.52 0.65 116.25 118.84 1m8c h VAL 41 Ca -0.04 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1m8c h VAL 41 Cb 1.33 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1m8c h VAL 41 CO 0.14 0.07 0.61 1.62 0.02 0.00 0.00 177.57 180.03 1m8c h VAL 42 N 0.39 1.21 0.00 2.57 3.04 -0.88 1.26 116.25 123.84 1m8c h VAL 42 Ca 0.24 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1m8c h VAL 42 Cb 0.23 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.40 1m8c h VAL 42 CO -0.22 0.22 0.00 -0.08 -1.01 0.00 0.00 177.57 176.48 1m8c h GLU 43 N 1.22 0.00 -0.69 4.17 4.57 -0.80 -2.70 114.58 120.36 1m8c h GLU 43 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1m8c h GLU 43 Cb -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1m8c h GLU 43 CO -0.08 0.00 0.00 0.43 -1.18 0.00 0.00 179.01 178.18 1m8c n SER 44 N -2.94 4.45 0.00 1.04 7.64 0.21 -4.84 113.62 119.18 1m8c n SER 44 Ca 0.03 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1m8c n SER 44 Cb 0.40 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.49 -4.70 0.00 6.43 4.13 -0.98 -1.04 115.26 119.59 1m8c n ASN 45 Ca 0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1m8c n ASN 45 Cb 0.93 -2.36 0.00 0.00 -1.54 0.00 0.00 39.78 36.82 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 -0.54 0.60 0.06 7.41 0.00 0.41 -4.96 105.19 108.17 1m8c n GLY 46 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 0.74 -1.06 2.61 2.02 -1.21 -3.47 112.91 112.55 1m8c h THR 47 Ca 0.00 -1.60 -0.68 0.00 0.77 0.00 0.00 66.41 64.90 1m8c h THR 47 Cb 0.00 1.44 0.10 0.00 -1.74 0.00 0.00 68.15 67.96 1m8c h THR 47 CO 0.00 0.25 -0.44 -0.11 0.37 0.00 0.00 175.52 175.60 1m8c n LEU 48 N -4.67 -0.99 -4.62 2.58 7.94 -1.26 -4.96 117.00 111.02 1m8c n LEU 48 Ca -0.07 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 55.68 1m8c n LEU 48 Cb 0.26 -0.96 -0.08 0.00 0.53 0.00 0.00 43.42 43.16 1m8c n LEU 48 CO 0.15 -2.80 -0.23 0.42 -1.11 0.00 0.00 177.39 173.82 1m8c s THR 49 N -0.88 0.98 -0.39 1.96 -4.23 -1.26 -4.83 115.64 106.98 1m8c s THR 49 Ca 0.67 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 59.03 1m8c s THR 49 Cb -0.96 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1m8c s THR 49 CO 0.56 0.00 0.29 -0.22 -0.54 0.00 0.00 174.62 174.71 1m8c s LEU 50 N -3.71 4.96 0.01 4.79 2.96 -1.17 0.16 118.68 126.67 1m8c s LEU 50 Ca 0.18 -0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 53.07 1m8c s LEU 50 Cb 0.03 -2.16 -0.16 0.00 0.50 0.00 0.00 46.19 44.40 1m8c s LEU 50 CO 0.10 -0.40 1.20 0.28 -1.32 0.00 0.00 176.35 176.22 1m8c h SER 51 N 8.60 -0.46 -5.07 3.68 0.02 -0.84 -3.43 113.55 116.05 1m8c h SER 51 Ca -0.28 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1m8c h SER 51 Cb 1.13 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1m8c h SER 51 CO 0.71 -0.10 0.32 -1.38 -1.14 0.00 0.00 176.83 175.24 1m8c s HIS 52 N -4.68 0.04 0.83 3.45 0.00 -1.07 -5.00 115.29 108.88 1m8c s HIS 52 Ca -0.14 -0.63 -0.08 0.00 -3.00 0.00 0.00 55.06 51.21 1m8c s HIS 52 Cb 0.02 0.79 0.15 0.00 -4.00 0.00 0.00 32.58 29.54 1m8c s HIS 52 CO 0.51 -1.40 1.15 -0.06 -1.00 0.00 0.00 174.74 173.94 1m8c s PHE 53 N -2.63 1.72 0.26 0.38 0.08 -1.26 -0.54 117.98 115.98 1m8c s PHE 53 Ca 0.15 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1m8c s PHE 53 Cb -0.05 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 1m8c s PHE 53 CO 0.09 -2.11 0.00 0.41 -0.10 0.00 0.00 175.22 173.51 1m8c n GLY 54 N -3.27 -1.39 3.53 4.36 0.00 0.22 -4.40 105.19 104.24 1m8c n GLY 54 Ca 0.14 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.12 0.80 0.00 1.61 -0.00 -1.25 -3.04 118.16 113.15 1m8c n LYS 55 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1m8c n LYS 55 Cb 0.61 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40