#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 0.98 -1.15 1.96 0.00 -1.26 -5.04 121.76 117.24 1m8c s ALA 2 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1m8c s ALA 2 Cb 0.00 -1.29 0.26 0.00 0.00 0.00 0.00 23.12 22.09 1m8c s ALA 2 CO 0.00 -1.36 1.69 0.00 0.00 0.00 0.00 175.76 176.09 1m8c n ALA 3 N 5.07 5.41 -2.21 0.00 0.00 -1.26 -4.69 120.51 122.83 1m8c n ALA 3 Ca -0.07 -4.60 -0.12 0.00 0.00 0.00 0.00 53.44 48.65 1m8c n ALA 3 Cb 0.45 -2.56 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 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 -1.86 0.54 -0.22 0.00 0.11 -1.26 -5.09 120.40 112.62 1m8c s VAL 4 Ca 0.35 -1.95 -0.32 0.00 -2.93 0.00 0.00 61.98 57.13 1m8c s VAL 4 Cb 0.08 -2.04 0.16 0.00 -1.53 0.00 0.00 36.38 33.05 1m8c s VAL 4 CO 0.05 -0.53 1.23 -0.55 -3.33 0.00 0.00 175.10 171.96 1m8c s SER 5 N -3.12 -0.14 -0.02 3.54 0.15 -1.26 -3.40 113.70 109.44 1m8c s SER 5 Ca 0.22 0.09 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 1m8c s SER 5 Cb 0.06 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1m8c s SER 5 CO 0.02 -0.18 0.25 0.68 1.20 0.00 0.00 173.24 175.21 1m8c s VAL 6 N -1.70 5.33 -0.09 4.45 -7.23 -1.26 -5.04 120.40 114.85 1m8c s VAL 6 Ca 0.07 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1m8c s VAL 6 Cb -0.01 -3.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 1m8c s VAL 6 CO -0.05 0.43 1.16 -0.62 -0.31 0.00 0.00 175.10 175.71 1m8c s ASP 7 N -1.53 7.08 -0.52 4.85 2.15 -1.26 -4.92 116.67 122.52 1m8c s ASP 7 Ca 0.25 1.71 0.03 0.00 0.43 0.00 0.00 52.55 54.96 1m8c s ASP 7 Cb -0.13 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.35 1m8c s ASP 7 CO 0.14 -0.59 1.43 0.00 -0.17 0.00 0.00 175.17 175.97 1m8c n SER 9 N -0.59 0.32 -3.26 0.00 2.88 -1.26 -4.58 113.62 107.13 1m8c n SER 9 Ca 0.46 0.15 -0.25 0.00 -1.33 0.00 0.00 58.87 57.90 1m8c n SER 9 Cb 0.64 0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 64.75 1m8c n SER 9 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m8c n GLU 10 N -2.80 1.74 0.00 -1.46 0.28 -1.26 -4.95 120.64 112.19 1m8c n GLU 10 Ca -0.24 -4.00 0.00 0.00 -0.16 0.00 0.00 57.16 52.77 1m8c n GLU 10 Cb 1.04 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 32.12 1m8c n GLU 10 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1m8c n TYR 11 N 0.89 0.00 -2.52 -1.84 4.01 -1.26 -5.06 117.16 111.38 1m8c n TYR 11 Ca 0.26 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.62 1m8c n TYR 11 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.47 1m8c n TYR 11 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1m8c s PRO 12 N 0.00 4.39 0.44 -0.72 0.04 -1.26 -4.78 135.00 133.11 1m8c s PRO 12 Ca 0.00 1.64 0.30 0.00 0.04 0.00 0.00 61.00 62.99 1m8c s PRO 12 Cb 0.00 -2.85 1.55 0.00 0.04 0.00 0.00 34.50 33.24 1m8c s PRO 12 CO 0.00 0.03 1.92 1.57 0.04 0.00 0.00 177.00 180.56 1m8c h LYS 13 N 3.13 0.00 0.08 4.56 2.10 -1.96 -1.35 116.57 123.13 1m8c h LYS 13 Ca -0.47 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.02 1m8c h LYS 13 Cb 1.21 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1m8c h LYS 13 CO 0.64 0.00 -0.65 0.22 -2.00 0.00 0.00 179.45 177.66 1m8c h ASP 14 N 0.00 0.44 0.00 7.07 3.58 -2.00 -3.45 116.42 122.06 1m8c h ASP 14 Ca 0.00 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.57 1m8c h ASP 14 Cb 0.11 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1m8c h ASP 14 CO 0.00 1.28 0.00 0.00 -2.88 0.00 0.00 179.24 177.64 1m8c n ALA 15 N -2.63 0.00 -3.62 -0.78 0.00 -0.51 -4.90 120.51 108.06 1m8c n ALA 15 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1m8c n ALA 15 Cb 0.73 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.20 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c s THR 17 N -2.31 0.51 0.00 0.00 -4.23 -1.26 -4.87 115.64 103.48 1m8c s THR 17 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1m8c s THR 17 Cb -0.02 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1m8c s THR 17 CO 0.88 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.85 1m8c n LEU 18 N -0.57 0.00 -4.70 4.79 7.94 -1.26 -4.88 117.00 118.31 1m8c n LEU 18 Ca -0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1m8c n LEU 18 Cb 0.66 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.58 1m8c n LEU 18 CO 0.37 0.00 1.14 -1.61 -1.11 0.00 0.00 177.39 176.18 1m8c s GLU 19 N 0.00 4.28 -0.17 1.96 8.01 -1.26 -5.00 118.70 126.52 1m8c s GLU 19 Ca 0.00 2.11 0.01 0.00 0.01 0.00 0.00 54.97 57.10 1m8c s GLU 19 Cb 0.00 -3.42 0.02 0.00 -4.31 0.00 0.00 34.13 26.42 1m8c s GLU 19 CO 0.00 -0.55 -0.18 -0.47 0.01 0.00 0.00 175.26 174.07 1m8c s TYR 20 N 1.83 2.56 -0.11 1.61 6.14 -1.26 -4.90 117.35 123.22 1m8c s TYR 20 Ca 0.66 -1.48 -0.04 0.00 0.64 0.00 0.00 57.07 56.86 1m8c s TYR 20 Cb -0.36 -1.80 0.05 0.00 0.42 0.00 0.00 41.96 40.27 1m8c s TYR 20 CO 0.29 -0.74 0.12 1.03 0.64 0.00 0.00 175.55 176.89 1m8c s ARG 21 N 1.30 0.03 0.31 4.97 0.52 0.94 -5.02 118.95 122.00 1m8c s ARG 21 Ca 0.04 0.28 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 1m8c s ARG 21 Cb -0.13 -0.91 -0.09 0.00 0.52 0.00 0.00 34.95 34.34 1m8c s ARG 21 CO -0.11 -0.46 1.07 -1.25 0.02 0.00 0.00 175.30 174.57 1m8c s PRO 22 N 2.22 4.52 0.12 3.54 0.04 -1.26 -1.54 135.00 142.64 1m8c s PRO 22 Ca 0.04 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1m8c s PRO 22 Cb -0.14 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1m8c s PRO 22 CO -0.07 0.13 0.04 -0.51 0.04 0.00 0.00 177.00 176.64 1m8c s LEU 23 N -1.77 1.89 -0.05 -3.56 1.02 0.20 0.54 118.68 116.95 1m8c s LEU 23 Ca 0.48 -1.17 0.02 0.00 0.02 0.00 0.00 54.13 53.47 1m8c s LEU 23 Cb -0.29 0.28 0.02 0.00 0.02 0.00 0.00 46.19 46.22 1m8c s LEU 23 CO 0.36 -0.71 -0.08 0.00 0.02 0.00 0.00 176.35 175.94 1m8c s GLY 25 N 0.78 1.45 0.60 0.00 0.00 0.51 0.17 107.32 110.83 1m8c s GLY 25 Ca -0.13 -1.21 0.31 0.00 0.00 0.00 0.00 44.72 43.69 1m8c s GLY 25 CO 0.02 -1.13 2.16 0.23 0.00 0.00 0.00 173.10 174.38 1m8c h SER 26 N 0.82 0.00 -0.18 1.64 0.87 -1.60 0.91 113.55 116.00 1m8c h SER 26 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1m8c h SER 26 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 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 -3.70 1.07 -2.19 6.23 5.75 -1.26 -4.86 116.55 117.60 1m8c n ASP 27 Ca -0.00 -1.91 -0.14 0.00 -0.01 0.00 0.00 54.79 52.73 1m8c n ASP 27 Cb 0.24 -0.12 0.04 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.05 -4.55 -4.71 -1.12 3.02 0.32 -4.99 115.26 103.27 1m8c n ASN 28 Ca 0.09 -0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.01 1m8c n ASN 28 Cb 0.18 -3.26 -0.07 0.00 -0.61 0.00 0.00 39.78 36.02 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m8c s LYS 29 N -5.56 4.22 -0.44 3.52 1.02 -1.20 -4.81 119.74 116.49 1m8c s LYS 29 Ca 0.28 0.07 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 1m8c s LYS 29 Cb -0.12 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1m8c s LYS 29 CO 0.35 0.17 0.50 0.99 -0.92 0.00 0.00 175.35 176.44 1m8c s THR 30 N 0.69 5.01 0.49 2.17 2.01 -1.26 -0.36 115.64 124.39 1m8c s THR 30 Ca 0.16 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1m8c s THR 30 Cb -0.13 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1m8c s THR 30 CO 0.04 -0.52 0.67 -0.31 -0.69 0.00 0.00 174.62 173.82 1m8c s TYR 31 N 2.31 2.27 0.00 4.92 2.02 0.59 -4.90 117.35 124.56 1m8c s TYR 31 Ca 0.14 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1m8c s TYR 31 Cb -0.17 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.03 1m8c s TYR 31 CO 0.14 -0.75 0.30 0.41 -1.57 0.00 0.00 175.55 174.08 1m8c n GLY 32 N -2.05 -0.48 3.77 0.71 0.00 -1.25 -1.51 105.19 104.39 1m8c n GLY 32 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.12 -0.15 0.35 1.61 -0.87 -0.59 -0.04 114.94 115.12 1m8c s ASN 33 Ca 0.00 -0.45 0.17 0.00 -1.57 0.00 0.00 52.86 51.01 1m8c s ASN 33 Cb 0.00 0.50 0.56 0.00 -0.02 0.00 0.00 41.25 42.29 1m8c s ASN 33 CO 0.00 -0.93 1.68 0.11 -2.57 0.00 0.00 177.10 175.39 1m8c h LYS 34 N 2.00 0.00 -0.22 -0.60 1.79 -1.96 -1.85 116.57 115.74 1m8c h LYS 34 Ca -0.24 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 1m8c h LYS 34 Cb 1.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1m8c h LYS 34 CO 0.27 0.43 -0.16 0.00 -1.08 0.00 0.00 179.45 178.91 1m8c h ASN 36 N 0.19 0.80 -0.38 0.00 2.35 -1.92 0.39 115.58 117.01 1m8c h ASN 36 Ca 0.04 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1m8c h ASN 36 Cb 0.69 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1m8c h ASN 36 CO 0.04 0.76 0.06 0.15 -1.65 0.00 0.00 177.43 176.80 1m8c h PHE 37 N 0.78 0.67 0.00 1.19 3.04 -1.23 -1.89 116.94 119.51 1m8c h PHE 37 Ca 0.19 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1m8c h PHE 37 Cb 0.22 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1m8c h PHE 37 CO 0.01 0.67 -0.32 0.00 -2.02 0.00 0.00 178.31 176.66 1m8c h ASN 39 N 0.00 0.45 -0.16 0.00 -0.73 0.37 0.20 115.58 115.71 1m8c h ASN 39 Ca -0.00 -0.19 -0.19 0.00 1.87 0.00 0.00 56.30 57.78 1m8c h ASN 39 Cb 0.64 -0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.12 1m8c h ASN 39 CO 0.04 0.51 -0.66 0.00 -0.37 0.00 0.00 177.43 176.96 1m8c h ALA 40 N 0.95 0.30 -0.38 1.57 0.00 -0.96 -2.73 119.26 118.00 1m8c h ALA 40 Ca 0.10 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1m8c h ALA 40 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1m8c h ALA 40 CO -0.01 0.59 0.09 0.28 0.00 0.00 0.00 179.25 180.21 1m8c h VAL 41 N 0.44 0.83 -0.30 0.00 2.07 -0.55 0.13 116.25 118.86 1m8c h VAL 41 Ca -0.04 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1m8c h VAL 41 Cb 1.29 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1m8c h VAL 41 CO 0.14 0.04 0.20 1.62 0.02 0.00 0.00 177.57 179.59 1m8c h VAL 42 N 0.23 1.04 0.00 2.57 3.04 -0.59 0.37 116.25 122.90 1m8c h VAL 42 Ca 0.18 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1m8c h VAL 42 Cb 0.20 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1m8c h VAL 42 CO -0.22 0.06 0.00 -0.08 -1.01 0.00 0.00 177.57 176.32 1m8c h GLU 43 N 0.35 0.00 -0.39 4.17 4.81 -0.49 -2.02 114.58 121.01 1m8c h GLU 43 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1m8c h GLU 43 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1m8c h GLU 43 CO -0.03 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 178.68 1m8c n SER 44 N -2.86 2.92 0.00 1.04 7.64 0.99 -4.88 113.62 118.47 1m8c n SER 44 Ca 0.02 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1m8c n SER 44 Cb 0.33 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1m8c n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m8c n ASN 45 N 1.12 -2.99 0.00 6.43 5.15 -0.76 -2.84 115.26 121.37 1m8c n ASN 45 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1m8c n ASN 45 Cb 0.50 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m8c n GLY 46 N -3.00 0.56 0.12 8.20 0.00 0.51 -4.95 105.19 106.63 1m8c n GLY 46 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.74 1.64 -1.08 2.61 -2.24 -1.13 -4.96 114.28 106.39 1m8c n THR 47 Ca 0.00 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.08 1m8c n THR 47 Cb 0.00 -1.88 0.02 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 -3.97 -4.55 0.00 3.22 0.00 -1.26 -4.99 117.00 105.45 1m8c n LEU 48 Ca -0.34 0.41 -0.25 0.00 0.00 0.00 0.00 56.01 55.84 1m8c n LEU 48 Cb 0.86 -0.77 -0.07 0.00 0.00 0.00 0.00 43.42 43.44 1m8c n LEU 48 CO 0.29 -5.13 -0.16 0.35 0.00 0.00 0.00 177.39 172.74 1m8c n THR 49 N -1.88 0.00 -3.64 1.96 -2.24 -1.26 -4.97 114.28 102.25 1m8c n THR 49 Ca 0.03 -2.30 -0.40 0.00 -2.27 0.00 0.00 64.05 59.11 1m8c n THR 49 Cb 0.49 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 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 4.75 0.15 3.22 0.20 -1.22 -1.62 118.68 124.16 1m8c s LEU 50 Ca 0.19 -1.20 -0.16 0.00 0.69 0.00 0.00 54.13 53.65 1m8c s LEU 50 Cb 0.01 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1m8c s LEU 50 CO 0.14 -0.42 1.79 -1.28 -0.29 0.00 0.00 176.35 176.29 1m8c h SER 51 N 8.37 0.45 -5.81 3.68 0.87 -0.44 -3.44 113.55 117.23 1m8c h SER 51 Ca -0.24 -0.04 0.34 0.00 -1.23 0.00 0.00 61.79 60.62 1m8c h SER 51 Cb 1.09 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 1m8c h SER 51 CO 0.68 0.35 0.88 -1.38 -0.53 0.00 0.00 176.83 176.83 1m8c s HIS 52 N -6.07 0.01 0.79 2.24 0.00 -0.83 -4.98 115.29 106.45 1m8c s HIS 52 Ca -0.13 -0.12 -0.06 0.00 -3.00 0.00 0.00 55.06 51.74 1m8c s HIS 52 Cb 0.10 0.56 0.14 0.00 -4.00 0.00 0.00 32.58 29.38 1m8c s HIS 52 CO 0.72 -0.28 1.10 -0.06 -1.00 0.00 0.00 174.74 175.22 1m8c s PHE 53 N -2.14 1.81 0.00 0.38 0.40 -1.26 -1.09 117.98 116.08 1m8c s PHE 53 Ca 0.24 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 1m8c s PHE 53 Cb 0.01 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.17 1m8c s PHE 53 CO -0.02 -1.94 0.00 0.41 0.70 0.00 0.00 175.22 174.37 1m8c n GLY 54 N -3.13 0.89 3.89 4.36 0.00 0.19 -4.52 105.19 106.87 1m8c n GLY 54 Ca 0.14 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 3.70 0.00 1.61 0.00 -1.26 0.62 119.74 124.42 1m8c s LYS 55 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.12 1m8c s LYS 55 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 37.83 35.22 1m8c s LYS 55 CO 0.00 0.20 0.37 0.00 0.00 0.00 0.00 175.35 175.92