#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 -1.72 -1.00 -1.18 0.00 -1.26 -5.08 121.76 111.53 1m8c s ALA 2 Ca 0.00 2.20 -0.02 0.00 0.00 0.00 0.00 51.96 54.14 1m8c s ALA 2 Cb 0.00 -1.30 0.30 0.00 0.00 0.00 0.00 23.12 22.12 1m8c s ALA 2 CO 0.00 -0.35 1.37 0.00 0.00 0.00 0.00 175.76 176.78 1m8c n ALA 3 N 4.01 5.03 -2.49 0.00 0.00 -1.26 -5.01 120.51 120.79 1m8c n ALA 3 Ca -0.19 -4.80 -0.22 0.00 0.00 0.00 0.00 53.44 48.23 1m8c n ALA 3 Cb 0.58 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.82 3.30 -0.30 0.00 0.11 -1.26 -5.13 120.40 114.30 1m8c s VAL 4 Ca 0.33 -1.48 -0.21 0.00 -2.93 0.00 0.00 61.98 57.69 1m8c s VAL 4 Cb 0.07 -3.10 0.21 0.00 -1.53 0.00 0.00 36.38 32.03 1m8c s VAL 4 CO 0.08 -0.16 1.41 -0.55 -3.33 0.00 0.00 175.10 172.54 1m8c s SER 5 N -3.95 -0.01 -0.25 3.54 0.15 -1.26 -5.02 113.70 106.89 1m8c s SER 5 Ca 0.40 0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.98 1m8c s SER 5 Cb -0.04 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1m8c s SER 5 CO 0.25 -0.00 0.15 0.68 1.20 0.00 0.00 173.24 175.51 1m8c s VAL 6 N 0.42 5.12 -0.34 4.45 -7.23 -1.26 -5.05 120.40 116.50 1m8c s VAL 6 Ca 0.01 0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 60.03 1m8c s VAL 6 Cb -0.04 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.51 1m8c s VAL 6 CO -0.14 0.32 0.91 -0.62 -0.31 0.00 0.00 175.10 175.26 1m8c s ASP 7 N 1.33 6.72 -0.42 4.85 -1.08 -1.26 -4.89 116.67 121.91 1m8c s ASP 7 Ca 0.07 0.68 0.05 0.00 -0.52 0.00 0.00 52.55 52.83 1m8c s ASP 7 Cb -0.15 -2.46 0.69 0.00 -1.46 0.00 0.00 42.92 39.55 1m8c s ASP 7 CO 0.06 -0.78 1.90 0.00 0.52 0.00 0.00 175.17 176.87 1m8c n SER 9 N -0.93 0.47 -3.09 0.00 7.64 -1.26 -4.48 113.62 111.97 1m8c n SER 9 Ca 0.56 0.20 -0.22 0.00 1.01 0.00 0.00 58.87 60.42 1m8c n SER 9 Cb 1.62 0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 65.61 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 -2.68 1.95 -2.89 1.43 -0.58 -1.26 -4.95 120.64 111.66 1m8c n GLU 10 Ca -0.12 -4.03 -0.01 0.00 -0.42 0.00 0.00 57.16 52.58 1m8c n GLU 10 Cb 0.81 -1.93 0.01 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.82 -1.09 0.67 -0.32 2.02 -1.26 -5.10 117.35 109.45 1m8c s TYR 11 Ca 0.44 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.97 1m8c s TYR 11 Cb 0.31 0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 42.07 1m8c s TYR 11 CO -0.10 -0.78 1.06 -1.25 -1.57 0.00 0.00 175.55 172.90 1m8c s PRO 12 N 1.51 3.06 0.54 -1.71 0.04 -1.26 -4.82 135.00 132.36 1m8c s PRO 12 Ca 0.20 1.01 0.36 0.00 0.04 0.00 0.00 61.00 62.61 1m8c s PRO 12 Cb 0.02 -2.01 1.88 0.00 0.04 0.00 0.00 34.50 34.44 1m8c s PRO 12 CO -0.09 -1.00 2.11 -0.22 0.04 0.00 0.00 177.00 177.83 1m8c h LYS 13 N -0.41 0.00 -0.55 4.56 3.11 -1.99 0.35 116.57 121.64 1m8c h LYS 13 Ca -0.45 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1m8c h LYS 13 CO 0.57 0.00 0.00 -3.47 -2.81 0.00 0.00 179.45 173.74 1m8c n ASP 14 N -2.84 2.72 -3.39 4.20 -0.08 -1.26 -4.33 116.55 111.57 1m8c n ASP 14 Ca -0.02 -2.20 -0.26 0.00 -1.51 0.00 0.00 54.79 50.80 1m8c n ASP 14 Cb 0.11 -0.40 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8c n ALA 15 N 0.55 3.62 0.00 -1.67 0.00 0.12 -4.96 120.51 118.18 1m8c n ALA 15 Ca 0.14 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1m8c n ALA 15 Cb 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n THR 17 N 0.00 0.00 -0.52 0.00 -1.04 -1.26 -4.92 114.28 106.54 1m8c n THR 17 Ca 0.00 0.00 0.42 0.00 -2.04 0.00 0.00 64.05 62.43 1m8c n THR 17 Cb 0.00 0.00 0.70 0.00 -1.82 0.00 0.00 70.33 69.21 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 0.16 -4.61 -4.42 4.32 -1.26 -4.05 117.00 107.13 1m8c n LEU 18 Ca 0.00 1.27 -0.43 0.00 -0.02 0.00 0.00 56.01 56.83 1m8c n LEU 18 Cb 0.00 -0.63 -0.03 0.00 -1.62 0.00 0.00 43.42 41.15 1m8c n LEU 18 CO 0.00 -1.36 1.59 -1.83 -1.22 0.00 0.00 177.39 174.56 1m8c s GLU 19 N -5.12 3.44 -0.19 3.23 1.03 -1.26 -4.96 118.70 114.86 1m8c s GLU 19 Ca -0.07 1.72 -0.00 0.00 0.03 0.00 0.00 54.97 56.65 1m8c s GLU 19 Cb 0.29 -4.21 0.01 0.00 -0.80 0.00 0.00 34.13 29.43 1m8c s GLU 19 CO 0.82 -1.74 -0.15 -0.47 -1.33 0.00 0.00 175.26 172.39 1m8c s TYR 20 N 6.74 2.84 -0.23 4.83 5.04 -1.26 -4.94 117.35 130.37 1m8c s TYR 20 Ca 0.84 -1.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.04 1m8c s TYR 20 Cb -0.27 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.12 1m8c s TYR 20 CO 0.34 -0.73 -0.06 1.03 -1.34 0.00 0.00 175.55 174.79 1m8c s ARG 21 N 1.35 1.63 0.42 4.97 0.52 0.14 -5.00 118.95 122.98 1m8c s ARG 21 Ca 0.05 -0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 54.09 1m8c s ARG 21 Cb -0.13 -2.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 1m8c s ARG 21 CO -0.10 -0.58 1.05 -1.25 0.02 0.00 0.00 175.30 174.44 1m8c s PRO 22 N 1.42 4.06 0.16 3.54 0.04 -1.21 -1.88 135.00 141.11 1m8c s PRO 22 Ca -0.05 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1m8c s PRO 22 Cb -0.18 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1m8c s PRO 22 CO -0.06 -0.23 0.09 -0.51 0.04 0.00 0.00 177.00 176.33 1m8c s LEU 23 N -2.89 1.50 0.01 -3.56 1.02 0.37 -1.19 118.68 113.94 1m8c s LEU 23 Ca 0.61 -1.27 0.08 0.00 0.02 0.00 0.00 54.13 53.56 1m8c s LEU 23 Cb -0.20 0.36 -0.02 0.00 0.02 0.00 0.00 46.19 46.35 1m8c s LEU 23 CO 0.25 -0.78 -0.23 0.00 0.02 0.00 0.00 176.35 175.62 1m8c s GLY 25 N -0.87 1.58 0.53 0.00 0.00 0.14 -0.04 107.32 108.65 1m8c s GLY 25 Ca 0.09 -1.38 0.20 0.00 0.00 0.00 0.00 44.72 43.62 1m8c s GLY 25 CO 0.01 -1.41 2.11 0.23 0.00 0.00 0.00 173.10 174.03 1m8c h SER 26 N 2.00 0.00 -0.24 1.64 0.87 -1.53 0.64 113.55 116.94 1m8c h SER 26 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1m8c h SER 26 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1m8c h SER 26 CO 0.61 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.38 1m8c n ASP 27 N -4.44 1.66 -1.27 6.23 9.92 -1.26 -4.84 116.55 122.55 1m8c n ASP 27 Ca 0.01 -2.08 -0.08 0.00 -0.53 0.00 0.00 54.79 52.11 1m8c n ASP 27 Cb 0.24 -0.26 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1m8c n ASN 28 N 0.23 -3.22 -4.85 -2.24 5.15 0.22 -5.02 115.26 105.55 1m8c n ASN 28 Ca 0.09 -0.11 -0.33 0.00 -0.60 0.00 0.00 54.58 53.63 1m8c n ASN 28 Cb 0.30 -2.11 -0.06 0.00 -0.53 0.00 0.00 39.78 37.38 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8c s LYS 29 N -4.98 4.02 -0.32 1.20 -0.14 -1.16 -4.76 119.74 113.59 1m8c s LYS 29 Ca 0.12 0.68 0.02 0.00 -1.36 0.00 0.00 55.97 55.43 1m8c s LYS 29 Cb -0.05 -2.46 0.08 0.00 -1.68 0.00 0.00 37.83 33.73 1m8c s LYS 29 CO 0.14 0.17 0.02 0.99 -0.76 0.00 0.00 175.35 175.91 1m8c s THR 30 N -1.96 2.46 0.44 2.17 2.01 -1.26 0.25 115.64 119.76 1m8c s THR 30 Ca 0.54 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.52 1m8c s THR 30 Cb -0.11 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1m8c s THR 30 CO 0.18 -0.39 0.69 -0.31 -0.69 0.00 0.00 174.62 174.09 1m8c s TYR 31 N 1.03 3.38 -0.04 4.92 2.02 -0.18 -4.90 117.35 123.57 1m8c s TYR 31 Ca 0.03 0.44 0.10 0.00 -0.37 0.00 0.00 57.07 57.27 1m8c s TYR 31 Cb -0.20 -2.24 -0.16 0.00 -0.40 0.00 0.00 41.96 38.97 1m8c s TYR 31 CO -0.06 -0.25 0.17 0.41 -1.57 0.00 0.00 175.55 174.25 1m8c n GLY 32 N -2.09 -0.50 3.61 0.71 0.00 -1.26 -1.49 105.19 104.16 1m8c n GLY 32 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.59 -0.04 0.14 1.61 3.84 -0.79 0.23 114.94 116.34 1m8c s ASN 33 Ca -0.04 -0.95 -0.02 0.00 0.21 0.00 0.00 52.86 52.06 1m8c s ASN 33 Cb 0.06 0.61 -0.08 0.00 -0.55 0.00 0.00 41.25 41.28 1m8c s ASN 33 CO 0.44 -1.18 1.31 0.11 -2.79 0.00 0.00 177.10 175.00 1m8c h LYS 34 N 2.22 0.31 -0.27 0.43 6.56 -1.96 -0.98 116.57 122.89 1m8c h LYS 34 Ca -0.26 -0.35 -0.04 0.00 -1.06 0.00 0.00 60.65 58.94 1m8c h LYS 34 Cb 1.25 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 1m8c h LYS 34 CO 0.35 1.06 0.02 0.00 -2.06 0.00 0.00 179.45 178.82 1m8c h ASN 36 N 0.26 0.62 0.21 0.00 2.35 -1.96 0.75 115.58 117.82 1m8c h ASN 36 Ca 0.08 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1m8c h ASN 36 Cb 0.37 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1m8c h ASN 36 CO 0.01 0.78 -0.10 0.15 -1.65 0.00 0.00 177.43 176.62 1m8c h PHE 37 N 0.58 -0.26 -0.11 1.19 3.04 -0.80 -0.81 116.94 119.76 1m8c h PHE 37 Ca 0.10 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 1m8c h PHE 37 Cb 0.56 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 1m8c h PHE 37 CO 0.02 -0.00 -0.09 0.00 -2.02 0.00 0.00 178.31 176.22 1m8c h ASN 39 N 0.16 0.61 0.23 0.00 -1.24 -0.50 0.62 115.58 115.47 1m8c h ASN 39 Ca 0.04 -0.12 -0.20 0.00 0.71 0.00 0.00 56.30 56.73 1m8c h ASN 39 Cb 0.27 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 1m8c h ASN 39 CO 0.01 0.56 -0.78 0.00 -1.29 0.00 0.00 177.43 175.94 1m8c h ALA 40 N 1.08 0.52 -0.47 1.57 0.00 -0.26 -2.71 119.26 118.98 1m8c h ALA 40 Ca 0.16 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1m8c h ALA 40 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1m8c h ALA 40 CO -0.02 0.76 0.15 0.28 0.00 0.00 0.00 179.25 180.42 1m8c h VAL 41 N 0.30 1.22 -0.89 0.00 2.07 0.07 -0.26 116.25 118.76 1m8c h VAL 41 Ca -0.04 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1m8c h VAL 41 Cb 1.37 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1m8c h VAL 41 CO 0.14 0.27 0.58 1.62 0.02 0.00 0.00 177.57 180.20 1m8c h VAL 42 N 0.63 1.18 0.00 2.57 3.04 0.29 0.25 116.25 124.21 1m8c h VAL 42 Ca 0.15 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1m8c h VAL 42 Cb 0.26 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1m8c h VAL 42 CO -0.01 0.21 0.00 1.21 -1.01 0.00 0.00 177.57 177.97 1m8c n GLU 43 N -4.43 0.10 -0.21 4.17 2.13 -0.89 -2.28 120.64 119.23 1m8c n GLU 43 Ca 0.11 0.17 0.10 0.00 0.66 0.00 0.00 57.16 58.20 1m8c n GLU 43 Cb 0.07 -1.64 0.26 0.00 0.27 0.00 0.00 31.44 30.40 1m8c n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1m8c n SER 44 N -1.82 2.69 0.00 4.31 3.41 0.73 -4.88 113.62 118.07 1m8c n SER 44 Ca 0.05 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1m8c n SER 44 Cb 0.31 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m8c n ASN 45 N 0.97 -2.58 0.00 4.04 3.02 -0.97 -1.64 115.26 118.10 1m8c n ASN 45 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1m8c n ASN 45 Cb 0.45 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 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 -1.58 0.74 0.07 7.41 0.00 -0.27 -4.98 105.19 106.59 1m8c n GLY 46 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 1.33 -2.75 2.61 2.02 -1.50 -3.46 112.91 111.15 1m8c h THR 47 Ca 0.00 -2.05 -0.59 0.00 0.77 0.00 0.00 66.41 64.54 1m8c h THR 47 Cb 0.00 2.56 0.15 0.00 -1.74 0.00 0.00 68.15 69.11 1m8c h THR 47 CO 0.00 0.45 -0.21 -0.11 0.37 0.00 0.00 175.52 176.02 1m8c n LEU 48 N -4.62 1.13 -4.45 2.58 7.94 -1.26 -4.99 117.00 113.32 1m8c n LEU 48 Ca -0.10 0.90 -0.24 0.00 -1.11 0.00 0.00 56.01 55.46 1m8c n LEU 48 Cb 0.41 -1.21 -0.08 0.00 0.53 0.00 0.00 43.42 43.06 1m8c n LEU 48 CO 0.25 -2.47 -0.18 0.42 -1.11 0.00 0.00 177.39 174.31 1m8c s THR 49 N -1.47 0.46 -0.39 1.96 -4.23 -1.26 -4.94 115.64 105.76 1m8c s THR 49 Ca 0.65 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 1m8c s THR 49 Cb -0.54 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 70.95 1m8c s THR 49 CO 0.56 0.00 0.22 -0.22 -0.54 0.00 0.00 174.62 174.64 1m8c s LEU 50 N -3.53 4.88 0.19 4.79 2.96 -1.26 -1.41 118.68 125.29 1m8c s LEU 50 Ca 0.28 -1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 52.82 1m8c s LEU 50 Cb 0.03 -1.98 0.11 0.00 0.50 0.00 0.00 46.19 44.84 1m8c s LEU 50 CO 0.17 -0.45 1.74 -1.28 -1.32 0.00 0.00 176.35 175.21 1m8c h SER 51 N 8.39 0.94 -1.46 3.68 0.87 -0.61 -3.44 113.55 121.92 1m8c h SER 51 Ca -0.24 -0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.30 1m8c h SER 51 Cb 1.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1m8c h SER 51 CO 0.70 0.86 0.45 0.00 -0.53 0.00 0.00 176.83 178.32 1m8c n HIS 52 N -4.38 -0.57 -1.97 2.24 -0.00 -1.15 -4.98 115.22 104.42 1m8c n HIS 52 Ca 0.05 -0.53 -0.11 0.00 -0.00 0.00 0.00 57.72 57.12 1m8c n HIS 52 Cb 0.18 0.25 0.07 0.00 -0.00 0.00 0.00 29.99 30.49 1m8c n HIS 52 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1m8c n PHE 53 N -0.49 -3.54 -4.75 -1.40 3.72 -1.26 -0.76 117.46 108.98 1m8c n PHE 53 Ca 0.01 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 1m8c n PHE 53 Cb 0.33 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1m8c n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m8c n GLY 54 N 1.42 1.03 3.94 1.37 0.00 -0.33 -4.18 105.19 108.43 1m8c n GLY 54 Ca 0.07 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1m8c n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m8c s LYS 55 N 0.00 3.43 0.00 1.61 -2.85 -1.26 0.14 119.74 120.81 1m8c s LYS 55 Ca 0.00 -0.58 0.18 0.00 -1.00 0.00 0.00 55.97 54.57 1m8c s LYS 55 Cb 0.00 -2.97 1.06 0.00 -2.06 0.00 0.00 37.83 33.86 1m8c s LYS 55 CO 0.00 0.53 1.46 0.00 0.10 0.00 0.00 175.35 177.44