#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 -3.44 -1.76 -1.18 0.00 -1.26 -4.89 120.51 107.97 1m8c n ALA 2 Ca 0.00 0.51 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 1m8c n ALA 2 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 0.61 2.05 -0.72 0.00 0.00 -1.26 -4.94 120.51 116.25 1m8c n ALA 3 Ca 0.01 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1m8c n ALA 3 Cb 0.03 -2.40 0.15 0.00 0.00 0.00 0.00 19.45 17.23 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 -0.26 0.00 -3.53 0.00 0.24 -1.25 -4.78 118.33 108.74 1m8c n VAL 4 Ca 0.05 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.34 62.02 1m8c n VAL 4 Cb 0.42 -0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.23 -0.64 0.09 -1.34 0.15 -1.26 -2.39 113.70 106.07 1m8c s SER 5 Ca 0.61 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.93 1m8c s SER 5 Cb -0.21 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1m8c s SER 5 CO 0.64 -0.60 0.28 0.68 1.20 0.00 0.00 173.24 175.44 1m8c s VAL 6 N -1.18 5.29 -0.50 4.45 -7.23 -1.26 -5.05 120.40 114.92 1m8c s VAL 6 Ca -0.11 -0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 1m8c s VAL 6 Cb -0.00 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.36 1m8c s VAL 6 CO 0.10 0.13 0.86 -0.62 -0.31 0.00 0.00 175.10 175.25 1m8c s ASP 7 N -2.38 6.37 -0.49 4.85 -1.08 -1.26 -4.88 116.67 117.80 1m8c s ASP 7 Ca 0.36 -0.27 0.02 0.00 -0.52 0.00 0.00 52.55 52.15 1m8c s ASP 7 Cb -0.13 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.39 1m8c s ASP 7 CO 0.25 -1.07 1.68 0.00 0.52 0.00 0.00 175.17 176.55 1m8c h SER 9 N 1.94 0.01 -1.00 0.00 0.87 -2.02 -3.38 113.55 109.97 1m8c h SER 9 Ca 0.49 -0.03 -0.43 0.00 -1.23 0.00 0.00 61.79 60.59 1m8c h SER 9 Cb 1.24 -0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.78 1m8c h SER 9 CO 1.18 1.02 -0.99 -1.84 -0.53 0.00 0.00 176.83 175.67 1m8c n GLU 10 N -3.13 2.32 -3.44 2.24 0.28 -1.26 -4.96 120.64 112.68 1m8c n GLU 10 Ca -0.13 -3.81 -0.26 0.00 -0.16 0.00 0.00 57.16 52.80 1m8c n GLU 10 Cb 1.03 -1.77 -0.11 0.00 1.43 0.00 0.00 31.44 32.01 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1m8c s TYR 11 N -3.46 0.38 0.71 -1.84 2.02 -1.26 -5.11 117.35 108.79 1m8c s TYR 11 Ca 0.37 -1.30 -0.11 0.00 -0.37 0.00 0.00 57.07 55.66 1m8c s TYR 11 Cb 0.41 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 1m8c s TYR 11 CO -0.04 -0.87 1.07 -1.25 -1.57 0.00 0.00 175.55 172.89 1m8c s PRO 12 N 1.31 2.78 0.52 -1.71 0.04 -1.26 -4.86 135.00 131.82 1m8c s PRO 12 Ca 0.17 0.89 0.35 0.00 0.04 0.00 0.00 61.00 62.45 1m8c s PRO 12 Cb -0.20 -1.98 1.88 0.00 0.04 0.00 0.00 34.50 34.24 1m8c s PRO 12 CO -0.05 -1.19 2.07 -0.22 0.04 0.00 0.00 177.00 177.65 1m8c h LYS 13 N -0.79 0.00 -0.04 4.56 3.64 -1.99 0.61 116.57 122.56 1m8c h LYS 13 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 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 0.57 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.28 1m8c n ASP 14 N -2.75 0.66 -3.43 4.20 -0.08 -1.26 -4.06 116.55 109.83 1m8c n ASP 14 Ca -0.02 -1.41 -0.34 0.00 -1.51 0.00 0.00 54.79 51.51 1m8c n ASP 14 Cb 0.07 -0.03 -0.02 0.00 2.34 0.00 0.00 41.12 43.49 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 -0.40 5.15 -3.15 -1.67 0.00 0.21 -4.86 120.51 115.79 1m8c n ALA 15 Ca 0.18 -4.70 0.06 0.00 0.00 0.00 0.00 53.44 48.97 1m8c n ALA 15 Cb 0.19 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 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 5.32 0.00 -0.43 0.00 -1.04 -1.26 -4.94 114.28 111.93 1m8c n THR 17 Ca -0.00 0.00 0.38 0.00 -2.04 0.00 0.00 64.05 62.38 1m8c n THR 17 Cb 0.56 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.71 1m8c n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1m8c n LEU 18 N 0.00 0.23 -4.55 -4.42 7.94 -1.26 -3.75 117.00 111.19 1m8c n LEU 18 Ca 0.00 1.41 -0.31 0.00 -1.11 0.00 0.00 56.01 56.00 1m8c n LEU 18 Cb 0.00 -0.69 -0.04 0.00 0.53 0.00 0.00 43.42 43.21 1m8c n LEU 18 CO 0.00 -1.55 1.58 -1.61 -1.11 0.00 0.00 177.39 174.70 1m8c s GLU 19 N -5.27 2.31 -0.20 1.96 8.01 -1.26 -4.93 118.70 119.32 1m8c s GLU 19 Ca -0.08 0.56 -0.08 0.00 0.01 0.00 0.00 54.97 55.39 1m8c s GLU 19 Cb 0.31 -4.66 -0.04 0.00 -4.31 0.00 0.00 34.13 25.43 1m8c s GLU 19 CO 0.79 -3.30 0.07 -0.47 0.01 0.00 0.00 175.26 172.37 1m8c s TYR 20 N 11.02 3.21 -0.17 1.61 6.14 -1.25 -4.92 117.35 133.00 1m8c s TYR 20 Ca 0.79 -0.02 -0.04 0.00 0.64 0.00 0.00 57.07 58.44 1m8c s TYR 20 Cb -0.12 -2.14 0.06 0.00 0.42 0.00 0.00 41.96 40.18 1m8c s TYR 20 CO 0.15 0.03 0.07 1.03 0.64 0.00 0.00 175.55 177.47 1m8c s ARG 21 N 0.73 0.24 0.42 4.97 3.00 0.38 -5.03 118.95 123.66 1m8c s ARG 21 Ca 0.04 -0.15 -0.23 0.00 0.00 0.00 0.00 55.73 55.39 1m8c s ARG 21 Cb -0.13 -1.82 -0.09 0.00 0.00 0.00 0.00 34.95 32.91 1m8c s ARG 21 CO 0.02 -0.63 1.05 -1.25 0.00 0.00 0.00 175.30 174.49 1m8c s PRO 22 N 2.06 4.07 0.20 3.54 0.04 -1.23 -2.14 135.00 141.53 1m8c s PRO 22 Ca 0.01 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 1m8c s PRO 22 Cb -0.16 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1m8c s PRO 22 CO -0.08 -0.22 0.11 -0.51 0.04 0.00 0.00 177.00 176.34 1m8c s LEU 23 N -2.85 1.31 -0.06 -3.56 1.02 -0.54 0.17 118.68 114.17 1m8c s LEU 23 Ca 0.60 -1.36 0.01 0.00 0.02 0.00 0.00 54.13 53.40 1m8c s LEU 23 Cb -0.21 0.32 0.02 0.00 0.02 0.00 0.00 46.19 46.34 1m8c s LEU 23 CO 0.26 -0.81 -0.08 0.00 0.02 0.00 0.00 176.35 175.74 1m8c s GLY 25 N 0.89 1.54 0.57 0.00 0.00 0.13 0.23 107.32 110.68 1m8c s GLY 25 Ca -0.11 -1.16 0.26 0.00 0.00 0.00 0.00 44.72 43.71 1m8c s GLY 25 CO 0.01 -1.02 2.23 0.23 0.00 0.00 0.00 173.10 174.54 1m8c h SER 26 N 0.58 0.00 -0.23 1.64 0.87 -1.58 0.51 113.55 115.33 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 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1m8c h SER 26 CO 0.57 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.97 1m8c n ASP 27 N -4.05 1.35 -2.03 6.23 5.75 -1.26 -4.85 116.55 117.69 1m8c n ASP 27 Ca -0.03 -2.02 -0.13 0.00 -0.01 0.00 0.00 54.79 52.60 1m8c n ASP 27 Cb 0.09 -0.19 0.03 0.00 -1.03 0.00 0.00 41.12 40.02 1m8c n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1m8c n ASN 28 N 0.19 -4.31 -4.72 -1.12 4.13 0.18 -4.99 115.26 104.62 1m8c n ASN 28 Ca 0.08 -0.24 -0.37 0.00 1.68 0.00 0.00 54.58 55.73 1m8c n ASN 28 Cb 0.22 -3.03 -0.07 0.00 -1.54 0.00 0.00 39.78 35.37 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1m8c s LYS 29 N -5.48 4.28 -0.51 3.52 2.20 -1.21 -4.80 119.74 117.74 1m8c s LYS 29 Ca 0.26 0.26 -0.18 0.00 -0.36 0.00 0.00 55.97 55.94 1m8c s LYS 29 Cb -0.11 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1m8c s LYS 29 CO 0.32 0.16 0.57 0.99 -0.36 0.00 0.00 175.35 177.03 1m8c s THR 30 N 0.68 4.97 0.53 3.43 2.01 -1.26 0.19 115.64 126.19 1m8c s THR 30 Ca 0.21 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1m8c s THR 30 Cb -0.14 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.10 1m8c s THR 30 CO 0.07 -0.80 0.79 -0.31 -0.69 0.00 0.00 174.62 173.69 1m8c s TYR 31 N 2.34 3.15 -0.03 4.92 2.02 0.09 -4.88 117.35 124.95 1m8c s TYR 31 Ca 0.11 0.36 0.11 0.00 -0.37 0.00 0.00 57.07 57.27 1m8c s TYR 31 Cb -0.22 -2.60 -0.16 0.00 -0.40 0.00 0.00 41.96 38.59 1m8c s TYR 31 CO 0.09 -0.68 0.20 0.41 -1.57 0.00 0.00 175.55 174.00 1m8c n GLY 32 N -2.36 -0.50 3.69 0.71 0.00 -1.26 -1.47 105.19 104.00 1m8c n GLY 32 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.45 -0.15 0.34 1.61 3.84 -0.91 -0.47 114.94 115.75 1m8c s ASN 33 Ca -0.04 -0.81 0.15 0.00 0.21 0.00 0.00 52.86 52.37 1m8c s ASN 33 Cb 0.06 0.64 0.57 0.00 -0.55 0.00 0.00 41.25 41.98 1m8c s ASN 33 CO 0.44 -1.22 1.70 0.11 -2.79 0.00 0.00 177.10 175.34 1m8c h LYS 34 N 2.15 0.00 -0.18 0.43 6.56 -1.94 -1.14 116.57 122.45 1m8c h LYS 34 Ca -0.23 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.31 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 0.31 0.46 -0.07 0.00 -2.06 0.00 0.00 179.45 178.09 1m8c h ASN 36 N 0.07 0.93 0.23 0.00 -0.73 -1.92 0.19 115.58 114.35 1m8c h ASN 36 Ca 0.04 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 57.99 1m8c h ASN 36 Cb 0.54 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1m8c h ASN 36 CO 0.02 0.94 -0.11 0.15 -0.37 0.00 0.00 177.43 178.07 1m8c h PHE 37 N 0.92 -0.28 0.00 0.67 3.57 -1.03 -1.00 116.94 119.79 1m8c h PHE 37 Ca 0.19 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1m8c h PHE 37 Cb 0.41 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1m8c h PHE 37 CO 0.03 -0.04 -0.15 0.00 -2.23 0.00 0.00 178.31 175.93 1m8c h ASN 39 N 0.00 0.51 -0.20 0.00 -0.73 -0.14 0.82 115.58 115.84 1m8c h ASN 39 Ca -0.00 -0.21 -0.18 0.00 1.87 0.00 0.00 56.30 57.78 1m8c h ASN 39 Cb 0.29 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.75 1m8c h ASN 39 CO 0.02 0.58 -0.60 0.00 -0.37 0.00 0.00 177.43 177.06 1m8c h ALA 40 N 0.95 0.34 -0.82 1.57 0.00 -0.29 -2.95 119.26 118.05 1m8c h ALA 40 Ca 0.11 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1m8c h ALA 40 Cb 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1m8c h ALA 40 CO -0.00 0.59 0.48 0.28 0.00 0.00 0.00 179.25 180.60 1m8c h VAL 41 N 0.48 0.96 -0.69 0.00 2.07 -0.43 0.14 116.25 118.77 1m8c h VAL 41 Ca -0.02 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1m8c h VAL 41 Cb 1.22 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1m8c h VAL 41 CO 0.13 0.15 0.46 1.62 0.02 0.00 0.00 177.57 179.95 1m8c h VAL 42 N 0.84 1.15 0.00 2.57 3.04 -0.76 0.21 116.25 123.31 1m8c h VAL 42 Ca 0.38 -0.31 -0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1m8c h VAL 42 Cb 0.29 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 29.74 1m8c h VAL 42 CO -0.22 0.16 -0.01 -0.08 -1.01 0.00 0.00 177.57 176.42 1m8c h GLU 43 N 0.90 0.00 -0.01 4.17 4.81 -0.61 -1.82 114.58 122.02 1m8c h GLU 43 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1m8c h GLU 43 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1m8c h GLU 43 CO -0.06 0.01 -0.10 -1.13 -0.73 0.00 0.00 179.01 177.00 1m8c n SER 44 N -3.11 1.54 -0.10 1.04 3.41 0.49 -4.90 113.62 112.00 1m8c n SER 44 Ca 0.01 -1.38 -0.01 0.00 -0.26 0.00 0.00 58.87 57.23 1m8c n SER 44 Cb 0.34 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1m8c n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1m8c n ASN 45 N 0.05 -3.28 0.00 4.04 2.85 -0.68 -2.67 115.26 115.57 1m8c n ASN 45 Ca 0.16 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1m8c n ASN 45 Cb 0.38 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.51 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8c n GLY 46 N -2.67 0.57 0.11 8.20 0.00 0.27 -4.95 105.19 106.72 1m8c n GLY 46 Ca -0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1m8c h THR 47 N 0.00 1.17 -3.45 2.61 1.35 -1.68 -3.47 112.91 109.44 1m8c h THR 47 Ca 0.00 -2.37 -0.57 0.00 -0.55 0.00 0.00 66.41 62.92 1m8c h THR 47 Cb 0.00 2.77 0.14 0.00 -1.73 0.00 0.00 68.15 69.33 1m8c h THR 47 CO 0.00 0.62 0.29 -0.11 -0.25 0.00 0.00 175.52 176.07 1m8c n LEU 48 N -4.13 3.63 0.00 3.87 7.94 -1.26 -5.01 117.00 122.04 1m8c n LEU 48 Ca -0.23 0.98 -0.22 0.00 -1.11 0.00 0.00 56.01 55.43 1m8c n LEU 48 Cb 0.79 -1.43 -0.05 0.00 0.53 0.00 0.00 43.42 43.26 1m8c n LEU 48 CO 0.37 -1.26 -0.15 0.35 -1.11 0.00 0.00 177.39 175.58 1m8c n THR 49 N -0.82 0.00 -3.66 1.96 -2.24 -1.26 -4.92 114.28 103.34 1m8c n THR 49 Ca 0.10 -1.78 -0.39 0.00 -2.27 0.00 0.00 64.05 59.70 1m8c n THR 49 Cb 0.42 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.01 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 4.77 0.22 3.22 2.96 -1.01 -1.55 118.68 127.28 1m8c s LEU 50 Ca 0.06 -1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 52.62 1m8c s LEU 50 Cb 0.00 -1.95 0.17 0.00 0.50 0.00 0.00 46.19 44.91 1m8c s LEU 50 CO 0.05 -0.43 1.86 -1.28 -1.32 0.00 0.00 176.35 175.23 1m8c h SER 51 N 8.34 0.98 -2.18 3.68 0.87 -0.37 -3.34 113.55 121.53 1m8c h SER 51 Ca -0.23 -0.07 0.34 0.00 -1.23 0.00 0.00 61.79 60.60 1m8c h SER 51 Cb 1.09 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.74 1m8c h SER 51 CO 0.68 0.75 0.89 0.00 -0.53 0.00 0.00 176.83 178.63 1m8c n HIS 52 N -4.46 -0.43 -2.35 2.24 -0.00 -0.85 -4.94 115.22 104.43 1m8c n HIS 52 Ca 0.08 -0.75 -0.26 0.00 -0.00 0.00 0.00 57.72 56.79 1m8c n HIS 52 Cb 0.06 0.34 0.13 0.00 -0.00 0.00 0.00 29.99 30.52 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 -2.02 1.70 0.15 -1.40 0.08 -1.26 -1.33 117.98 113.90 1m8c s PHE 53 Ca 0.30 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.31 1m8c s PHE 53 Cb -0.01 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1m8c s PHE 53 CO -0.00 -1.97 0.00 0.41 -0.10 0.00 0.00 175.22 173.55 1m8c n GLY 54 N -3.13 -1.10 3.76 4.36 0.00 0.13 -4.40 105.19 104.82 1m8c n GLY 54 Ca 0.14 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.20 3.68 0.00 1.61 1.02 -1.25 -2.52 119.74 121.08 1m8c s LYS 55 Ca 0.00 1.97 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1m8c s LYS 55 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1m8c s LYS 55 CO 0.00 -0.67 0.25 0.00 -0.92 0.00 0.00 175.35 174.01