#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 -2.31 0.86 -1.18 0.00 -1.26 -5.15 121.76 112.72 1m8c s ALA 2 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1m8c s ALA 2 Cb 0.00 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1m8c s ALA 2 CO 0.00 -1.13 0.79 0.00 0.00 0.00 0.00 175.76 175.43 1m8c n ALA 3 N -0.83 -1.33 -1.97 0.00 0.00 -1.26 -4.99 120.51 110.14 1m8c n ALA 3 Ca 0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 1m8c n ALA 3 Cb 0.59 -2.01 0.06 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.27 2.76 -0.02 0.00 0.11 -1.26 -5.10 120.40 114.61 1m8c s VAL 4 Ca 0.65 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.33 1m8c s VAL 4 Cb -0.26 -3.18 0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1m8c s VAL 4 CO 0.59 -0.20 0.63 -0.94 -3.33 0.00 0.00 175.10 171.85 1m8c s SER 5 N -4.45 -0.59 -0.32 3.54 1.04 -1.26 -4.73 113.70 106.93 1m8c s SER 5 Ca 0.58 0.57 -0.14 0.00 0.48 0.00 0.00 55.95 57.44 1m8c s SER 5 Cb -0.11 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1m8c s SER 5 CO 0.46 -0.63 0.31 0.68 0.98 0.00 0.00 173.24 175.04 1m8c s VAL 6 N -1.48 5.21 -0.11 5.02 -7.23 -1.26 -5.04 120.40 115.51 1m8c s VAL 6 Ca -0.10 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 1m8c s VAL 6 Cb -0.01 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1m8c s VAL 6 CO 0.07 0.03 1.15 -0.62 -0.31 0.00 0.00 175.10 175.42 1m8c s ASP 7 N 1.72 7.08 -0.21 4.85 -1.08 -1.26 -4.89 116.67 122.88 1m8c s ASP 7 Ca 0.11 1.67 0.15 0.00 -0.52 0.00 0.00 52.55 53.96 1m8c s ASP 7 Cb -0.16 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 1m8c s ASP 7 CO 0.11 -0.60 1.49 0.00 0.52 0.00 0.00 175.17 176.70 1m8c h SER 9 N 1.95 0.00 -0.99 0.00 4.64 -2.03 -3.34 113.55 113.78 1m8c h SER 9 Ca 0.06 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.96 1m8c h SER 9 Cb 1.61 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.29 1m8c h SER 9 CO 0.32 0.11 -1.02 -0.62 -0.87 0.00 0.00 176.83 174.75 1m8c n GLU 10 N -3.02 2.14 -3.19 4.77 -0.58 -1.26 -4.96 120.64 114.54 1m8c n GLU 10 Ca 0.02 -3.74 0.02 0.00 -0.42 0.00 0.00 57.16 53.04 1m8c n GLU 10 Cb 0.58 -1.70 -0.01 0.00 -0.57 0.00 0.00 31.44 29.75 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 -3.42 -1.73 0.76 -0.32 2.02 -1.25 -5.15 117.35 108.26 1m8c s TYR 11 Ca 0.35 0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 57.36 1m8c s TYR 11 Cb 0.41 0.31 0.05 0.00 -0.40 0.00 0.00 41.96 42.33 1m8c s TYR 11 CO -0.04 -1.14 1.08 -1.25 -1.57 0.00 0.00 175.55 172.64 1m8c s PRO 12 N 2.05 2.38 0.43 -1.71 0.04 -1.26 -4.81 135.00 132.11 1m8c s PRO 12 Ca 0.15 0.75 0.29 0.00 0.04 0.00 0.00 61.00 62.23 1m8c s PRO 12 Cb -0.05 -1.94 1.12 0.00 0.04 0.00 0.00 34.50 33.67 1m8c s PRO 12 CO -0.11 -1.44 1.85 -0.22 0.04 0.00 0.00 177.00 177.12 1m8c h LYS 13 N -0.96 0.00 -0.28 4.56 3.64 -1.98 -1.57 116.57 119.97 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 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1m8c h LYS 13 CO 0.58 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.36 1m8c n ASP 14 N -2.78 1.60 -3.66 4.20 5.75 -1.26 -4.35 116.55 116.05 1m8c n ASP 14 Ca 0.02 -1.96 -0.27 0.00 -0.01 0.00 0.00 54.79 52.57 1m8c n ASP 14 Cb 0.31 -0.19 -0.11 0.00 -1.03 0.00 0.00 41.12 40.11 1m8c n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m8c n ALA 15 N 0.36 3.30 -3.14 2.12 0.00 -0.59 -4.98 120.51 117.57 1m8c n ALA 15 Ca 0.11 -4.11 0.04 0.00 0.00 0.00 0.00 53.44 49.48 1m8c n ALA 15 Cb 0.26 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 5.24 0.00 -0.70 0.00 -1.04 -1.26 -4.92 114.28 111.60 1m8c n THR 17 Ca 0.07 0.00 0.53 0.00 -2.04 0.00 0.00 64.05 62.60 1m8c n THR 17 Cb 0.55 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 69.88 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 0.00 -4.55 -4.42 4.77 -1.26 -3.90 117.00 107.63 1m8c n LEU 18 Ca 0.00 0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 56.63 1m8c n LEU 18 Cb 0.00 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1m8c n LEU 18 CO 0.00 -0.98 1.69 -1.61 -1.33 0.00 0.00 177.39 175.15 1m8c s GLU 19 N -4.83 2.31 -0.15 3.23 8.01 -1.26 -4.93 118.70 121.08 1m8c s GLU 19 Ca -0.05 0.79 -0.03 0.00 0.01 0.00 0.00 54.97 55.69 1m8c s GLU 19 Cb 0.26 -4.58 -0.03 0.00 -4.31 0.00 0.00 34.13 25.48 1m8c s GLU 19 CO 0.88 -3.20 -0.05 -0.47 0.01 0.00 0.00 175.26 172.43 1m8c s TYR 20 N 10.98 3.00 -0.22 1.61 6.14 -1.25 -4.87 117.35 132.73 1m8c s TYR 20 Ca 0.81 -0.34 -0.03 0.00 0.64 0.00 0.00 57.07 58.15 1m8c s TYR 20 Cb -0.14 -1.94 0.10 0.00 0.42 0.00 0.00 41.96 40.41 1m8c s TYR 20 CO 0.19 -0.05 0.24 1.03 0.64 0.00 0.00 175.55 177.60 1m8c s ARG 21 N 0.34 0.22 0.17 4.97 3.00 0.69 -5.00 118.95 123.35 1m8c s ARG 21 Ca -0.05 0.16 -0.30 0.00 0.00 0.00 0.00 55.73 55.54 1m8c s ARG 21 Cb -0.14 -1.07 -0.08 0.00 0.00 0.00 0.00 34.95 33.66 1m8c s ARG 21 CO 0.03 -0.72 1.12 -1.25 0.00 0.00 0.00 175.30 174.48 1m8c s PRO 22 N 2.34 4.57 0.07 3.54 0.04 -1.24 -1.85 135.00 142.47 1m8c s PRO 22 Ca 0.08 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1m8c s PRO 22 Cb -0.15 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1m8c s PRO 22 CO -0.16 0.04 -0.05 -0.51 0.04 0.00 0.00 177.00 176.36 1m8c s LEU 23 N -0.30 2.49 -0.14 -3.56 1.02 0.19 0.42 118.68 118.80 1m8c s LEU 23 Ca 0.50 -0.97 0.01 0.00 0.02 0.00 0.00 54.13 53.69 1m8c s LEU 23 Cb -0.30 0.04 0.02 0.00 0.02 0.00 0.00 46.19 45.98 1m8c s LEU 23 CO 0.35 -0.51 -0.15 0.00 0.02 0.00 0.00 176.35 176.06 1m8c s GLY 25 N 1.31 1.51 0.61 0.00 0.00 0.01 -0.10 107.32 110.65 1m8c s GLY 25 Ca 0.01 -0.51 0.32 0.00 0.00 0.00 0.00 44.72 44.53 1m8c s GLY 25 CO -0.07 -0.34 2.19 0.23 0.00 0.00 0.00 173.10 175.11 1m8c h SER 26 N 0.19 0.00 0.34 1.64 0.87 -1.60 0.97 113.55 115.97 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 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1m8c h SER 26 CO 0.62 0.00 -0.05 -0.90 -0.53 0.00 0.00 176.83 175.97 1m8c n ASP 27 N -3.66 0.27 -0.01 6.23 5.75 -1.26 -4.87 116.55 119.00 1m8c n ASP 27 Ca -0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1m8c n ASP 27 Cb 0.20 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.02 -0.93 -4.88 -1.12 2.85 0.34 -5.05 115.26 105.44 1m8c n ASN 28 Ca 0.16 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.32 1m8c n ASN 28 Cb 0.24 -0.46 -0.05 0.00 1.24 0.00 0.00 39.78 40.75 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 -3.76 3.79 -0.26 1.20 1.02 -1.22 -4.80 119.74 115.71 1m8c s LYS 29 Ca 0.00 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.25 1m8c s LYS 29 Cb 0.00 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1m8c s LYS 29 CO 0.00 0.22 -0.01 0.99 -0.92 0.00 0.00 175.35 175.64 1m8c s THR 30 N -1.97 3.31 -0.20 2.17 2.01 -1.26 -0.81 115.64 118.89 1m8c s THR 30 Ca 0.48 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 1m8c s THR 30 Cb -0.11 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1m8c s THR 30 CO 0.24 0.16 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.98 1m8c s TYR 31 N 1.40 2.96 -1.87 4.92 2.02 -0.49 -4.93 117.35 121.36 1m8c s TYR 31 Ca 0.01 -0.74 0.31 0.00 -0.37 0.00 0.00 57.07 56.28 1m8c s TYR 31 Cb -0.17 -2.05 1.80 0.00 -0.40 0.00 0.00 41.96 41.14 1m8c s TYR 31 CO -0.02 -0.39 2.17 0.41 -1.57 0.00 0.00 175.55 176.15 1m8c n GLY 32 N 4.40 -1.05 3.49 0.71 0.00 -1.26 0.32 105.19 111.79 1m8c n GLY 32 Ca -0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.13 -0.48 0.30 1.61 0.01 -0.77 -0.22 114.94 113.25 1m8c s ASN 33 Ca 0.43 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 1m8c s ASN 33 Cb 0.21 0.47 0.48 0.00 0.41 0.00 0.00 41.25 42.82 1m8c s ASN 33 CO 0.39 -0.70 1.84 0.11 -1.51 0.00 0.00 177.10 177.23 1m8c h LYS 34 N 2.25 0.69 -0.56 -0.60 6.56 -1.88 -1.00 116.57 122.03 1m8c h LYS 34 Ca -0.26 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1m8c h LYS 34 Cb 1.24 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 1m8c h LYS 34 CO 0.35 0.67 0.35 0.00 -2.06 0.00 0.00 179.45 178.76 1m8c h ASN 36 N 0.75 0.61 -0.12 0.00 -1.24 -1.79 0.35 115.58 114.15 1m8c h ASN 36 Ca 0.20 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 1m8c h ASN 36 Cb -0.05 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 1m8c h ASN 36 CO -0.04 0.65 -0.01 0.15 -1.29 0.00 0.00 177.43 176.89 1m8c h PHE 37 N 0.62 0.23 -0.05 0.67 3.04 0.01 -2.13 116.94 119.33 1m8c h PHE 37 Ca 0.13 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1m8c h PHE 37 Cb 0.32 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1m8c h PHE 37 CO 0.01 0.47 -0.17 0.00 -2.02 0.00 0.00 178.31 176.60 1m8c h ASN 39 N 0.07 0.70 -0.15 0.00 -0.73 -0.58 0.46 115.58 115.36 1m8c h ASN 39 Ca 0.01 -0.10 -0.18 0.00 1.87 0.00 0.00 56.30 57.90 1m8c h ASN 39 Cb 0.34 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 38.76 1m8c h ASN 39 CO 0.02 0.60 -0.63 0.00 -0.37 0.00 0.00 177.43 177.06 1m8c h ALA 40 N 1.13 0.28 -0.21 1.57 0.00 -0.68 -1.87 119.26 119.47 1m8c h ALA 40 Ca 0.19 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1m8c h ALA 40 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1m8c h ALA 40 CO -0.03 0.55 0.05 0.28 0.00 0.00 0.00 179.25 180.10 1m8c h VAL 41 N 0.37 0.92 -0.83 0.00 2.07 -0.37 0.42 116.25 118.83 1m8c h VAL 41 Ca -0.04 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1m8c h VAL 41 Cb 1.26 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1m8c h VAL 41 CO 0.13 0.03 0.55 1.62 0.02 0.00 0.00 177.57 179.92 1m8c h VAL 42 N 0.14 1.21 0.00 2.57 3.04 -0.08 1.23 116.25 124.36 1m8c h VAL 42 Ca 0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1m8c h VAL 42 Cb 0.08 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1m8c h VAL 42 CO -0.12 0.21 0.00 1.21 -1.01 0.00 0.00 177.57 177.86 1m8c n GLU 43 N -4.51 0.10 -0.75 4.17 4.07 -0.67 -1.86 120.64 121.19 1m8c n GLU 43 Ca 0.09 0.28 0.08 0.00 -0.06 0.00 0.00 57.16 57.55 1m8c n GLU 43 Cb 0.01 -1.67 0.37 0.00 -0.06 0.00 0.00 31.44 30.09 1m8c n GLU 43 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1m8c n SER 44 N -1.86 5.18 0.00 4.31 7.64 0.14 -4.87 113.62 124.17 1m8c n SER 44 Ca 0.04 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1m8c n SER 44 Cb 0.24 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.61 -1.50 0.00 6.43 2.85 -0.78 -1.99 115.26 120.88 1m8c n ASN 45 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1m8c n ASN 45 Cb 1.06 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 41.06 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 -1.91 0.70 0.11 8.20 0.00 0.40 -4.94 105.19 107.75 1m8c n GLY 46 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 1.53 -1.05 2.61 2.02 -1.53 -3.47 112.91 113.02 1m8c h THR 47 Ca 0.00 -2.44 -0.63 0.00 0.77 0.00 0.00 66.41 64.11 1m8c h THR 47 Cb 0.00 3.13 0.11 0.00 -1.74 0.00 0.00 68.15 69.65 1m8c h THR 47 CO 0.00 0.69 -0.57 -0.11 0.37 0.00 0.00 175.52 175.90 1m8c n LEU 48 N -4.19 -1.43 0.00 2.58 0.00 -1.26 -4.96 117.00 107.74 1m8c n LEU 48 Ca -0.13 1.03 -0.01 0.00 0.00 0.00 0.00 56.01 56.90 1m8c n LEU 48 Cb 0.76 -0.90 -0.00 0.00 0.00 0.00 0.00 43.42 43.28 1m8c n LEU 48 CO 0.47 -3.03 -0.01 0.35 0.00 0.00 0.00 177.39 175.17 1m8c n THR 49 N -0.15 0.00 -3.97 1.96 -2.24 -1.26 -4.90 114.28 103.73 1m8c n THR 49 Ca 0.16 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 1m8c n THR 49 Cb 0.26 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 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 3.24 -0.04 3.22 2.96 -1.26 -1.68 118.68 125.13 1m8c s LEU 50 Ca 0.00 -0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 52.83 1m8c s LEU 50 Cb 0.00 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.95 1m8c s LEU 50 CO 0.00 -0.14 0.61 -1.28 -1.32 0.00 0.00 176.35 174.22 1m8c h SER 51 N 7.99 -0.45 -5.09 3.68 0.87 -0.67 -3.43 113.55 116.45 1m8c h SER 51 Ca -0.31 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1m8c h SER 51 Cb 1.10 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1m8c h SER 51 CO 0.57 -0.01 0.10 -1.38 -0.53 0.00 0.00 176.83 175.58 1m8c s HIS 52 N -3.27 0.04 0.90 2.24 -3.43 -0.84 -4.98 115.29 105.94 1m8c s HIS 52 Ca -0.08 -0.47 -0.13 0.00 -0.80 0.00 0.00 55.06 53.58 1m8c s HIS 52 Cb 0.01 0.52 0.17 0.00 -1.43 0.00 0.00 32.58 31.85 1m8c s HIS 52 CO 0.24 -1.17 1.25 -0.06 -2.00 0.00 0.00 174.74 173.00 1m8c s PHE 53 N -3.87 1.78 0.00 0.38 0.08 -1.26 -0.50 117.98 114.58 1m8c s PHE 53 Ca 0.16 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.48 1m8c s PHE 53 Cb -0.04 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1m8c s PHE 53 CO 0.08 -2.37 0.00 0.41 -0.10 0.00 0.00 175.22 173.24 1m8c n GLY 54 N -3.55 -0.50 3.83 4.36 0.00 0.17 -4.45 105.19 105.04 1m8c n GLY 54 Ca 0.14 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 2.04 0.00 1.61 0.00 -1.26 0.55 119.74 122.68 1m8c s LYS 55 Ca 0.00 0.45 0.17 0.00 0.00 0.00 0.00 55.97 56.59 1m8c s LYS 55 Cb 0.00 -1.93 0.14 0.00 0.00 0.00 0.00 37.83 36.04 1m8c s LYS 55 CO 0.00 -1.61 1.05 0.00 0.00 0.00 0.00 175.35 174.79