#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 2.32 0.01 -1.18 0.00 -1.26 -4.82 121.76 116.82 1m8c s ALA 2 Ca 0.00 -2.40 -0.23 0.00 0.00 0.00 0.00 51.96 49.33 1m8c s ALA 2 Cb 0.00 -4.66 0.05 0.00 0.00 0.00 0.00 23.12 18.50 1m8c s ALA 2 CO 0.00 -4.56 0.50 0.00 0.00 0.00 0.00 175.76 171.70 1m8c s ALA 3 N 8.67 -1.29 0.53 0.00 0.00 -1.26 -5.13 121.76 123.27 1m8c s ALA 3 Ca 0.63 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1m8c s ALA 3 Cb 0.01 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1m8c s ALA 3 CO 0.11 -0.41 0.00 0.28 0.00 0.00 0.00 175.76 175.74 1m8c n VAL 4 N 0.75 -0.56 0.00 0.00 0.31 -1.26 -4.66 118.33 112.91 1m8c n VAL 4 Ca -0.19 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1m8c n VAL 4 Cb 0.58 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1m8c n VAL 4 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1m8c n SER 5 N -4.28 0.00 -4.49 4.52 2.88 -1.26 -4.72 113.62 106.27 1m8c n SER 5 Ca -0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1m8c n SER 5 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 1m8c n SER 5 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1m8c s VAL 6 N -0.15 5.17 0.03 2.46 -7.23 -1.26 -5.05 120.40 114.37 1m8c s VAL 6 Ca 0.00 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 1m8c s VAL 6 Cb 0.00 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 1m8c s VAL 6 CO 0.00 -0.32 0.96 1.51 -0.31 0.00 0.00 175.10 176.94 1m8c s ASP 7 N 1.75 7.39 -0.35 4.85 1.47 -1.26 -4.91 116.67 125.61 1m8c s ASP 7 Ca 0.09 1.68 0.06 0.00 1.18 0.00 0.00 52.55 55.56 1m8c s ASP 7 Cb -0.18 -2.57 0.47 0.00 -0.34 0.00 0.00 42.92 40.31 1m8c s ASP 7 CO 0.12 -0.19 1.41 0.00 0.68 0.00 0.00 175.17 177.19 1m8c h SER 9 N 1.70 0.00 0.00 0.00 0.87 -2.02 -3.32 113.55 110.78 1m8c h SER 9 Ca 0.33 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1m8c h SER 9 Cb 1.41 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 1m8c h SER 9 CO 0.72 0.06 -0.26 -1.84 -0.53 0.00 0.00 176.83 174.99 1m8c n GLU 10 N -2.35 0.98 -3.30 2.24 0.28 -1.26 -4.90 120.64 112.32 1m8c n GLU 10 Ca 0.03 -2.33 -0.13 0.00 -0.16 0.00 0.00 57.16 54.56 1m8c n GLU 10 Cb 0.47 -1.21 -0.06 0.00 1.43 0.00 0.00 31.44 32.07 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 -2.15 -0.59 0.71 -1.84 2.02 -1.25 -5.11 117.35 109.14 1m8c s TYR 11 Ca 0.26 -0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1m8c s TYR 11 Cb 0.24 -0.24 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 1m8c s TYR 11 CO -0.01 -1.02 1.07 -1.25 -1.57 0.00 0.00 175.55 172.77 1m8c s PRO 12 N 1.41 2.79 0.47 -1.71 0.04 -1.26 -4.76 135.00 131.97 1m8c s PRO 12 Ca 0.18 0.89 0.32 0.00 0.04 0.00 0.00 61.00 62.43 1m8c s PRO 12 Cb -0.12 -1.98 1.65 0.00 0.04 0.00 0.00 34.50 34.09 1m8c s PRO 12 CO -0.04 -1.19 1.97 -0.22 0.04 0.00 0.00 177.00 177.56 1m8c h LYS 13 N -0.78 0.00 0.05 4.56 3.64 -1.94 -2.29 116.57 119.81 1m8c h LYS 13 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 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 -0.02 0.22 -2.27 0.00 0.00 179.45 177.95 1m8c h ASP 14 N 0.00 -0.05 0.00 4.20 3.58 -2.00 -3.35 116.42 118.80 1m8c h ASP 14 Ca 0.00 -0.45 -0.42 0.00 0.42 0.00 0.00 57.03 56.58 1m8c h ASP 14 Cb 0.09 0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.17 1m8c h ASP 14 CO 0.00 0.65 2.73 0.00 -2.88 0.00 0.00 179.24 179.74 1m8c n ALA 15 N -2.67 4.95 -3.34 -0.78 0.00 -0.86 -4.47 120.51 113.34 1m8c n ALA 15 Ca -0.06 -2.22 -0.26 0.00 0.00 0.00 0.00 53.44 50.90 1m8c n ALA 15 Cb 0.24 -3.07 -0.09 0.00 0.00 0.00 0.00 19.45 16.53 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 2.57 0.00 -0.64 0.00 5.66 -1.26 -4.87 114.28 115.75 1m8c n THR 17 Ca 0.28 0.00 0.50 0.00 -3.05 0.00 0.00 64.05 61.78 1m8c n THR 17 Cb 0.49 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 70.04 1m8c n THR 17 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1m8c n LEU 18 N 0.00 0.00 -4.55 1.09 7.94 -1.26 -3.89 117.00 116.33 1m8c n LEU 18 Ca 0.00 0.96 -0.30 0.00 -1.11 0.00 0.00 56.01 55.55 1m8c n LEU 18 Cb 0.00 -0.46 -0.04 0.00 0.53 0.00 0.00 43.42 43.45 1m8c n LEU 18 CO 0.00 -0.96 1.61 -1.61 -1.11 0.00 0.00 177.39 175.32 1m8c s GLU 19 N -4.78 2.23 -0.20 1.96 8.01 -1.26 -4.92 118.70 119.75 1m8c s GLU 19 Ca -0.05 0.66 -0.02 0.00 0.01 0.00 0.00 54.97 55.58 1m8c s GLU 19 Cb 0.25 -4.66 0.00 0.00 -4.31 0.00 0.00 34.13 25.41 1m8c s GLU 19 CO 0.83 -3.39 -0.12 -0.47 0.01 0.00 0.00 175.26 172.13 1m8c s TYR 20 N 11.44 2.87 -0.20 1.61 5.04 -1.25 -4.89 117.35 131.97 1m8c s TYR 20 Ca 0.82 -1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.19 1m8c s TYR 20 Cb -0.13 -2.01 0.07 0.00 0.35 0.00 0.00 41.96 40.24 1m8c s TYR 20 CO 0.16 -0.65 0.07 1.03 -1.34 0.00 0.00 175.55 174.82 1m8c s ARG 21 N 1.34 0.39 0.43 4.97 3.00 0.14 -4.99 118.95 124.24 1m8c s ARG 21 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 55.73 55.19 1m8c s ARG 21 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 34.95 32.82 1m8c s ARG 21 CO -0.07 -0.72 1.05 -1.25 0.00 0.00 0.00 175.30 174.31 1m8c s PRO 22 N 1.97 4.03 0.21 3.54 0.04 -0.99 -2.24 135.00 141.56 1m8c s PRO 22 Ca 0.02 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1m8c s PRO 22 Cb -0.17 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1m8c s PRO 22 CO -0.13 -0.25 0.62 -0.48 0.04 0.00 0.00 177.00 176.81 1m8c s LEU 23 N -2.93 -0.27 0.09 -3.56 2.34 -0.59 0.18 118.68 113.94 1m8c s LEU 23 Ca 0.61 -0.36 0.09 0.00 0.06 0.00 0.00 54.13 54.53 1m8c s LEU 23 Cb -0.20 2.51 -0.03 0.00 -0.56 0.00 0.00 46.19 47.90 1m8c s LEU 23 CO 0.25 -1.13 -0.24 0.00 -1.06 0.00 0.00 176.35 174.17 1m8c s GLY 25 N -1.68 1.63 0.52 0.00 0.00 -0.14 -0.78 107.32 106.88 1m8c s GLY 25 Ca 0.11 -1.54 0.35 0.00 0.00 0.00 0.00 44.72 43.64 1m8c s GLY 25 CO 0.04 -1.49 2.07 0.23 0.00 0.00 0.00 173.10 173.94 1m8c h SER 26 N 1.22 0.00 0.31 1.64 0.87 -0.74 0.47 113.55 117.32 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 0.58 0.00 -0.25 -0.90 -0.53 0.00 0.00 176.83 175.73 1m8c n ASP 27 N -2.78 0.82 -0.30 6.23 5.75 -1.26 -4.91 116.55 120.09 1m8c n ASP 27 Ca -0.02 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 1m8c n ASP 27 Cb 0.11 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.84 -1.46 -4.76 -1.12 2.85 0.16 -5.05 115.26 105.05 1m8c n ASN 28 Ca 0.12 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.23 1m8c n ASN 28 Cb 0.33 -0.43 -0.07 0.00 1.24 0.00 0.00 39.78 40.85 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m8c s LYS 29 N -4.07 4.08 -0.45 1.20 1.02 -1.24 -4.83 119.74 115.46 1m8c s LYS 29 Ca 0.00 -0.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 1m8c s LYS 29 Cb 0.00 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1m8c s LYS 29 CO 0.00 0.37 0.50 0.99 -0.92 0.00 0.00 175.35 176.29 1m8c s THR 30 N 0.09 5.03 0.18 2.17 2.01 -1.26 -0.97 115.64 122.90 1m8c s THR 30 Ca 0.14 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1m8c s THR 30 Cb -0.12 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1m8c s THR 30 CO 0.02 -0.56 0.24 -0.31 -0.69 0.00 0.00 174.62 173.33 1m8c s TYR 31 N 2.25 3.34 -0.18 4.92 2.02 0.25 -4.97 117.35 124.98 1m8c s TYR 31 Ca 0.12 0.03 0.18 0.00 -0.37 0.00 0.00 57.07 57.04 1m8c s TYR 31 Cb -0.18 -1.57 -0.26 0.00 -0.40 0.00 0.00 41.96 39.54 1m8c s TYR 31 CO 0.13 0.50 0.12 0.41 -1.57 0.00 0.00 175.55 175.14 1m8c n GLY 32 N -0.71 -1.00 3.10 0.71 0.00 -1.26 -1.54 105.19 104.49 1m8c n GLY 32 Ca -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.36 0.34 0.48 1.61 0.01 -0.95 0.26 114.94 111.33 1m8c s ASN 33 Ca -0.10 -0.79 0.21 0.00 -0.71 0.00 0.00 52.86 51.47 1m8c s ASN 33 Cb 0.07 0.21 1.22 0.00 0.41 0.00 0.00 41.25 43.16 1m8c s ASN 33 CO 0.84 -0.56 2.03 0.11 -1.51 0.00 0.00 177.10 178.00 1m8c h LYS 34 N 3.39 0.00 -0.24 -0.60 1.79 -1.92 -1.36 116.57 117.62 1m8c h LYS 34 Ca -0.33 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 1m8c h LYS 34 Cb 1.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1m8c h LYS 34 CO 0.58 0.16 0.03 0.00 -1.08 0.00 0.00 179.45 179.14 1m8c h ASN 36 N 0.20 0.75 0.03 0.00 4.21 -1.77 0.15 115.58 119.16 1m8c h ASN 36 Ca 0.07 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 1m8c h ASN 36 Cb 0.35 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1m8c h ASN 36 CO 0.01 0.72 -0.01 0.15 -1.29 0.00 0.00 177.43 177.01 1m8c h PHE 37 N 0.79 -0.04 0.00 1.19 3.04 -0.88 -1.85 116.94 119.20 1m8c h PHE 37 Ca 0.18 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 1m8c h PHE 37 Cb 0.25 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1m8c h PHE 37 CO 0.01 0.26 -0.17 0.00 -2.02 0.00 0.00 178.31 176.40 1m8c h ASN 39 N 0.00 0.59 -0.17 0.00 -1.24 -0.32 0.15 115.58 114.60 1m8c h ASN 39 Ca -0.00 -0.16 -0.19 0.00 0.71 0.00 0.00 56.30 56.66 1m8c h ASN 39 Cb 0.31 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 39.22 1m8c h ASN 39 CO 0.02 0.58 -0.64 0.00 -1.29 0.00 0.00 177.43 176.11 1m8c h ALA 40 N 1.03 0.30 -0.64 1.57 0.00 -0.49 -2.79 119.26 118.24 1m8c h ALA 40 Ca 0.15 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1m8c h ALA 40 Cb 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1m8c h ALA 40 CO -0.01 0.58 0.32 0.28 0.00 0.00 0.00 179.25 180.42 1m8c h VAL 41 N 0.43 0.90 -0.87 0.00 2.07 -0.46 0.64 116.25 118.96 1m8c h VAL 41 Ca -0.03 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1m8c h VAL 41 Cb 1.27 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1m8c h VAL 41 CO 0.13 0.11 0.58 1.62 0.02 0.00 0.00 177.57 180.03 1m8c h VAL 42 N 0.58 1.22 0.00 2.57 3.04 -0.65 0.46 116.25 123.47 1m8c h VAL 42 Ca 0.30 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 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 -0.22 0.21 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.45 1m8c h GLU 43 N 1.18 0.00 -0.49 4.17 4.81 -0.67 -2.76 114.58 120.81 1m8c h GLU 43 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1m8c h GLU 43 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1m8c h GLU 43 CO -0.07 0.02 0.00 0.45 -0.73 0.00 0.00 179.01 178.68 1m8c n SER 44 N -3.11 1.99 0.00 1.04 2.88 0.20 -4.82 113.62 111.80 1m8c n SER 44 Ca 0.03 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 1m8c n SER 44 Cb 0.45 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1m8c n ASN 45 N 0.29 -2.61 0.00 -3.46 3.02 -1.04 -1.68 115.26 109.77 1m8c n ASN 45 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1m8c n ASN 45 Cb 0.38 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 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 0.67 0.07 7.41 0.00 0.14 -4.97 105.19 106.93 1m8c n GLY 46 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 0.52 -0.99 2.61 2.02 -1.48 -3.47 112.91 112.12 1m8c h THR 47 Ca 0.00 -1.49 -0.71 0.00 0.77 0.00 0.00 66.41 64.98 1m8c h THR 47 Cb 0.00 1.08 0.09 0.00 -1.74 0.00 0.00 68.15 67.58 1m8c h THR 47 CO 0.00 0.18 -0.32 -0.11 0.37 0.00 0.00 175.52 175.64 1m8c n LEU 48 N -4.63 -0.80 -4.77 2.58 7.94 -1.26 -4.96 117.00 111.10 1m8c n LEU 48 Ca -0.10 1.13 -0.33 0.00 -1.11 0.00 0.00 56.01 55.60 1m8c n LEU 48 Cb 0.30 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.24 1m8c n LEU 48 CO 0.13 -2.59 -0.25 0.42 -1.11 0.00 0.00 177.39 173.99 1m8c s THR 49 N -0.64 1.05 -0.34 1.96 -4.23 -1.26 -4.87 115.64 107.32 1m8c s THR 49 Ca 0.73 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.11 1m8c s THR 49 Cb -1.05 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1m8c s THR 49 CO 0.56 0.00 0.26 -0.22 -0.54 0.00 0.00 174.62 174.68 1m8c s LEU 50 N -3.89 4.51 0.01 4.79 2.96 -1.26 -0.04 118.68 125.75 1m8c s LEU 50 Ca 0.03 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.32 1m8c s LEU 50 Cb 0.01 -2.17 -0.18 0.00 0.50 0.00 0.00 46.19 44.35 1m8c s LEU 50 CO 0.01 -0.25 1.26 -1.28 -1.32 0.00 0.00 176.35 174.78 1m8c h SER 51 N 8.49 0.26 -5.58 3.68 0.87 -1.11 -3.43 113.55 116.72 1m8c h SER 51 Ca -0.31 -0.54 0.25 0.00 -1.23 0.00 0.00 61.79 59.96 1m8c h SER 51 Cb 1.16 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 1m8c h SER 51 CO 0.64 0.76 0.70 -1.38 -0.53 0.00 0.00 176.83 177.02 1m8c s HIS 52 N -4.05 -0.01 0.78 2.24 0.00 -1.09 -4.98 115.29 108.18 1m8c s HIS 52 Ca -0.15 -0.23 -0.07 0.00 -3.00 0.00 0.00 55.06 51.61 1m8c s HIS 52 Cb 0.03 0.62 0.12 0.00 -4.00 0.00 0.00 32.58 29.35 1m8c s HIS 52 CO 0.73 -0.59 1.09 -0.06 -1.00 0.00 0.00 174.74 174.92 1m8c s PHE 53 N -2.44 2.14 0.36 0.38 0.40 -1.26 -0.73 117.98 116.83 1m8c s PHE 53 Ca 0.19 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1m8c s PHE 53 Cb 0.00 -3.39 0.00 0.00 0.51 0.00 0.00 43.02 40.14 1m8c s PHE 53 CO 0.01 -1.84 0.00 0.41 0.70 0.00 0.00 175.22 174.50 1m8c n GLY 54 N -3.12 -1.94 3.20 4.36 0.00 0.13 -4.49 105.19 103.33 1m8c n GLY 54 Ca 0.12 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.71 0.04 0.00 1.61 2.85 -1.26 -3.26 118.16 114.43 1m8c n LYS 55 Ca -0.03 0.02 0.06 0.00 -1.05 0.00 0.00 58.31 57.31 1m8c n LYS 55 Cb 0.64 -1.11 0.35 0.00 -0.65 0.00 0.00 35.03 34.25 1m8c n LYS 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35