#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b n ALA 2 N 0.00 -3.32 -3.83 -1.18 0.00 -1.26 -5.05 120.51 105.86 1m8b n ALA 2 Ca 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 53.44 54.08 1m8b n ALA 2 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1m8b n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b n ALA 3 N -3.71 -0.42 -0.79 0.00 0.00 -1.24 -5.12 120.51 109.24 1m8b n ALA 3 Ca -0.06 -1.30 0.11 0.00 0.00 0.00 0.00 53.44 52.18 1m8b n ALA 3 Cb 0.60 1.05 -0.03 0.00 0.00 0.00 0.00 19.45 21.07 1m8b n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1m8b n VAL 4 N -0.47 0.00 0.00 0.00 3.14 -1.26 -4.57 118.33 115.16 1m8b n VAL 4 Ca -0.00 0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1m8b n VAL 4 Cb 0.48 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 1m8b n VAL 4 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1m8b n SER 5 N -4.39 0.00 -4.68 6.55 3.41 -1.26 -4.91 113.62 108.35 1m8b n SER 5 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1m8b n SER 5 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1m8b n SER 5 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1m8b s VAL 6 N -0.84 5.19 0.09 -3.33 -7.23 -1.26 -5.02 120.40 108.00 1m8b s VAL 6 Ca 0.00 0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 60.63 1m8b s VAL 6 Cb 0.00 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.10 1m8b s VAL 6 CO 0.00 0.26 1.74 -0.62 -0.31 0.00 0.00 175.10 176.17 1m8b s ASP 7 N 0.97 6.52 -0.01 4.85 2.15 -1.26 -4.82 116.67 125.08 1m8b s ASP 7 Ca 0.20 2.62 0.01 0.00 0.43 0.00 0.00 52.55 55.81 1m8b s ASP 7 Cb -0.15 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 1m8b s ASP 7 CO 0.08 -0.95 0.70 0.00 -0.17 0.00 0.00 175.17 174.84 1m8b n SER 9 N -0.19 2.85 -0.02 0.00 3.41 -1.26 -3.51 113.62 114.90 1m8b n SER 9 Ca 0.01 -2.35 -0.02 0.00 -0.26 0.00 0.00 58.87 56.24 1m8b n SER 9 Cb 0.46 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1m8b n GLU 10 N 0.28 2.71 -0.70 4.33 0.00 -1.26 -5.06 120.64 120.94 1m8b n GLU 10 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.95 1m8b n GLU 10 Cb 0.61 -1.11 0.16 0.00 0.00 0.00 0.00 31.44 31.10 1m8b n GLU 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m8b n TYR 11 N -2.25 -1.41 -2.54 -1.84 4.02 -1.23 -4.69 117.16 107.22 1m8b n TYR 11 Ca -0.07 0.19 -0.35 0.00 -0.01 0.00 0.00 57.90 57.65 1m8b n TYR 11 Cb 0.63 -1.54 -0.04 0.00 -0.02 0.00 0.00 39.34 38.37 1m8b n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1m8b s PRO 12 N -3.31 3.92 0.06 -0.72 0.04 -1.26 -5.10 135.00 128.64 1m8b s PRO 12 Ca 0.54 1.42 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1m8b s PRO 12 Cb -0.10 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1m8b s PRO 12 CO 0.66 -0.34 0.04 0.15 0.04 0.00 0.00 177.00 177.56 1m8b s LYS 13 N -2.98 2.78 -0.00 4.56 1.02 -1.26 -5.00 119.74 118.86 1m8b s LYS 13 Ca 0.64 -0.71 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1m8b s LYS 13 Cb -0.18 -2.67 -0.10 0.00 -0.52 0.00 0.00 37.83 34.35 1m8b s LYS 13 CO 0.23 0.57 0.27 -3.47 -0.92 0.00 0.00 175.35 172.03 1m8b n ASP 14 N 0.70 1.57 -0.04 2.83 -0.08 -1.26 -4.69 116.55 115.58 1m8b n ASP 14 Ca -0.11 -0.39 -0.00 0.00 -1.51 0.00 0.00 54.79 52.78 1m8b n ASP 14 Cb 0.52 1.16 -0.00 0.00 2.34 0.00 0.00 41.12 45.14 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m8b h ALA 15 N 0.97 0.00 -2.85 -1.67 0.00 -2.05 -3.50 119.26 110.15 1m8b h ALA 15 Ca 0.00 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.18 1m8b h ALA 15 Cb 0.27 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 1m8b h ALA 15 CO 0.00 0.03 -0.87 0.00 0.00 0.00 0.00 179.25 178.41 1m8b s THR 17 N -3.42 3.23 0.02 0.00 -4.23 -1.26 -5.02 115.64 104.97 1m8b s THR 17 Ca 0.00 -1.07 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 1m8b s THR 17 Cb 0.00 -2.41 -0.23 0.00 1.34 0.00 0.00 72.50 71.20 1m8b s THR 17 CO 0.00 0.30 0.92 -0.07 -0.54 0.00 0.00 174.62 175.23 1m8b h LEU 18 N 4.31 0.03 -9.57 4.79 -0.00 -2.04 -3.47 115.31 109.35 1m8b h LEU 18 Ca -0.48 -0.05 -0.49 0.00 -0.00 0.00 0.00 57.88 56.87 1m8b h LEU 18 Cb 1.16 -0.01 0.23 0.00 -0.00 0.00 0.00 40.66 42.05 1m8b h LEU 18 CO 0.51 1.04 -1.23 -0.62 -0.00 0.00 0.00 178.44 178.14 1m8b n GLU 19 N -3.20 -0.96 -3.98 1.13 -0.58 -1.26 -4.97 120.64 106.82 1m8b n GLU 19 Ca -0.10 -0.26 -0.34 0.00 -0.42 0.00 0.00 57.16 56.04 1m8b n GLU 19 Cb 1.01 -1.60 -0.15 0.00 -0.57 0.00 0.00 31.44 30.13 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1m8b s TYR 20 N -2.23 2.94 -0.31 -0.32 6.14 -1.26 -4.85 117.35 117.46 1m8b s TYR 20 Ca 0.52 -1.33 -0.03 0.00 0.64 0.00 0.00 57.07 56.88 1m8b s TYR 20 Cb -0.12 -2.04 0.10 0.00 0.42 0.00 0.00 41.96 40.33 1m8b s TYR 20 CO 0.68 -0.68 0.13 1.03 0.64 0.00 0.00 175.55 177.35 1m8b s ARG 21 N 1.38 0.40 0.20 4.97 3.00 0.14 -5.01 118.95 124.02 1m8b s ARG 21 Ca 0.04 -0.79 -0.30 0.00 0.00 0.00 0.00 55.73 54.68 1m8b s ARG 21 Cb -0.15 -1.43 -0.08 0.00 0.00 0.00 0.00 34.95 33.29 1m8b s ARG 21 CO -0.06 -1.03 1.11 -1.25 0.00 0.00 0.00 175.30 174.06 1m8b s PRO 22 N 1.82 4.59 -0.08 3.54 0.04 -0.93 -3.13 135.00 140.86 1m8b s PRO 22 Ca 0.10 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 1m8b s PRO 22 Cb -0.17 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1m8b s PRO 22 CO -0.29 0.09 0.35 -0.48 0.04 0.00 0.00 177.00 176.71 1m8b s LEU 23 N -0.63 0.68 -0.15 -3.56 0.05 -0.61 0.19 118.68 114.66 1m8b s LEU 23 Ca 0.48 0.43 -0.06 0.00 0.05 0.00 0.00 54.13 55.04 1m8b s LEU 23 Cb -0.30 1.30 -0.04 0.00 -2.05 0.00 0.00 46.19 45.09 1m8b s LEU 23 CO 0.37 -0.29 0.06 0.00 -0.55 0.00 0.00 176.35 175.94 1m8b n GLY 25 N 2.90 -0.21 0.14 0.00 0.00 0.20 -0.79 105.19 107.42 1m8b n GLY 25 Ca -0.18 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 43.95 1m8b n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1m8b h SER 26 N -1.02 0.00 -0.32 1.61 0.87 -0.84 -2.61 113.55 111.25 1m8b h SER 26 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1m8b h SER 26 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1m8b h SER 26 CO 0.32 0.58 0.00 0.47 -0.53 0.00 0.00 176.83 177.67 1m8b n ASP 27 N -3.58 3.13 -2.25 6.23 9.92 -1.26 -4.84 116.55 123.89 1m8b n ASP 27 Ca -0.00 -2.37 -0.15 0.00 -0.53 0.00 0.00 54.79 51.74 1m8b n ASP 27 Cb 0.64 -0.52 0.04 0.00 -0.64 0.00 0.00 41.12 40.64 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1m8b n ASN 28 N 0.40 -4.68 -4.32 -2.24 5.15 -0.98 -4.96 115.26 103.62 1m8b n ASN 28 Ca 0.14 -0.26 -0.46 0.00 -0.60 0.00 0.00 54.58 53.40 1m8b n ASN 28 Cb 0.64 -3.43 -0.04 0.00 -0.53 0.00 0.00 39.78 36.43 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8b s LYS 29 N -5.54 3.20 -0.44 1.20 1.02 -1.25 -4.79 119.74 113.14 1m8b s LYS 29 Ca 0.28 -1.95 -0.24 0.00 0.02 0.00 0.00 55.97 54.08 1m8b s LYS 29 Cb -0.12 -4.35 0.02 0.00 -0.52 0.00 0.00 37.83 32.87 1m8b s LYS 29 CO 0.34 -1.33 0.86 0.99 -0.92 0.00 0.00 175.35 175.30 1m8b s THR 30 N 1.17 4.56 0.34 2.17 2.01 -1.26 -0.63 115.64 124.00 1m8b s THR 30 Ca 0.08 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.82 1m8b s THR 30 Cb -0.23 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 1m8b s THR 30 CO -0.01 -0.75 0.36 -0.31 -0.69 0.00 0.00 174.62 173.23 1m8b s TYR 31 N 3.53 2.95 -0.10 4.92 2.02 0.67 -4.93 117.35 126.41 1m8b s TYR 31 Ca 0.34 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1m8b s TYR 31 Cb -0.11 -1.90 -0.25 0.00 -0.40 0.00 0.00 41.96 39.30 1m8b s TYR 31 CO 0.24 0.08 0.46 0.41 -1.57 0.00 0.00 175.55 175.17 1m8b n GLY 32 N -1.48 -0.69 3.25 0.71 0.00 -1.26 -1.57 105.19 104.14 1m8b n GLY 32 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1m8b n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m8b s ASN 33 N -6.74 2.14 0.50 1.61 2.47 -1.19 0.23 114.94 113.97 1m8b s ASN 33 Ca -0.17 -0.76 0.29 0.00 0.42 0.00 0.00 52.86 52.65 1m8b s ASN 33 Cb 0.07 -0.09 1.16 0.00 -1.45 0.00 0.00 41.25 40.94 1m8b s ASN 33 CO 0.79 -0.08 1.91 0.50 -3.72 0.00 0.00 177.10 176.50 1m8b h LYS 34 N 3.73 0.00 0.03 0.43 3.64 -1.93 -1.95 116.57 120.53 1m8b h LYS 34 Ca -0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1m8b h LYS 34 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1m8b h LYS 34 CO 0.46 0.09 -0.02 0.00 -2.27 0.00 0.00 179.45 177.72 1m8b h ASN 36 N -0.61 0.80 -0.09 0.00 2.35 -1.92 0.41 115.58 116.52 1m8b h ASN 36 Ca -0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1m8b h ASN 36 Cb 0.55 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1m8b h ASN 36 CO 0.01 0.57 0.01 0.15 -1.65 0.00 0.00 177.43 176.52 1m8b h PHE 37 N 0.95 0.16 -0.68 1.19 3.57 -1.34 -2.35 116.94 118.44 1m8b h PHE 37 Ca 0.28 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1m8b h PHE 37 Cb -0.06 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1m8b h PHE 37 CO -0.03 0.36 0.44 0.00 -2.23 0.00 0.00 178.31 176.85 1m8b h ASN 39 N 0.92 1.00 0.90 0.00 -0.73 0.14 1.40 115.58 119.21 1m8b h ASN 39 Ca 0.25 0.01 -0.22 0.00 1.87 0.00 0.00 56.30 58.21 1m8b h ASN 39 Cb -0.10 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 1m8b h ASN 39 CO -0.05 0.63 -1.04 0.00 -0.37 0.00 0.00 177.43 176.60 1m8b h ALA 40 N 1.46 0.32 0.54 1.57 0.00 -0.58 -2.57 119.26 119.99 1m8b h ALA 40 Ca 0.43 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1m8b h ALA 40 Cb 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1m8b h ALA 40 CO -0.18 1.17 -0.26 0.28 0.00 0.00 0.00 179.25 180.26 1m8b h VAL 41 N 0.02 0.05 -0.42 0.00 2.07 0.15 0.28 116.25 118.39 1m8b h VAL 41 Ca -0.04 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.13 1m8b h VAL 41 Cb 1.78 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1m8b h VAL 41 CO 0.14 0.01 0.34 1.62 0.02 0.00 0.00 177.57 179.70 1m8b h VAL 42 N -1.18 0.65 0.00 2.57 3.04 0.17 0.73 116.25 122.23 1m8b h VAL 42 Ca -0.07 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.48 1m8b h VAL 42 Cb 0.57 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 1m8b h VAL 42 CO 0.12 0.00 -0.70 -0.33 -1.01 0.00 0.00 177.57 175.65 1m8b h GLU 43 N 0.00 0.00 -1.29 4.17 3.07 -1.33 -3.24 114.58 115.96 1m8b h GLU 43 Ca 0.20 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.73 1m8b h GLU 43 Cb 0.87 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.62 1m8b h GLU 43 CO -0.00 0.63 0.43 0.43 -1.40 0.00 0.00 179.01 179.09 1m8b n SER 44 N -3.24 5.42 -1.14 1.42 7.64 0.21 -4.76 113.62 119.17 1m8b n SER 44 Ca 0.01 -3.04 -0.14 0.00 1.01 0.00 0.00 58.87 56.71 1m8b n SER 44 Cb 0.80 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m8b n ASN 45 N -0.01 -5.08 -1.49 6.43 5.15 -1.16 -0.25 115.26 118.84 1m8b n ASN 45 Ca 0.33 0.34 -0.13 0.00 -0.60 0.00 0.00 54.58 54.52 1m8b n ASN 45 Cb 0.79 -4.11 -0.01 0.00 -0.53 0.00 0.00 39.78 35.92 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m8b n GLY 46 N -0.02 -0.10 0.10 8.20 0.00 0.13 -4.90 105.19 108.59 1m8b n GLY 46 Ca -0.14 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1m8b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8b h THR 47 N 0.00 1.27 -2.95 2.61 1.03 -0.77 -3.45 112.91 110.65 1m8b h THR 47 Ca -0.31 -2.93 -0.53 0.00 -0.01 0.00 0.00 66.41 62.62 1m8b h THR 47 Cb 1.22 2.77 0.01 0.00 -1.07 0.00 0.00 68.15 71.08 1m8b h THR 47 CO 0.37 0.82 0.78 -0.22 -0.01 0.00 0.00 175.52 177.27 1m8b s LEU 48 N -6.87 4.35 0.20 0.00 2.96 -1.26 -5.01 118.68 113.04 1m8b s LEU 48 Ca -0.06 2.25 0.09 0.00 -0.22 0.00 0.00 54.13 56.19 1m8b s LEU 48 Cb 0.07 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1m8b s LEU 48 CO 0.85 -0.69 -0.07 0.42 -1.32 0.00 0.00 176.35 175.54 1m8b s THR 49 N 1.69 3.27 -0.27 3.68 -4.23 -1.26 -4.87 115.64 113.65 1m8b s THR 49 Ca 0.65 -1.70 -0.26 0.00 -1.18 0.00 0.00 61.69 59.19 1m8b s THR 49 Cb -0.35 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1m8b s THR 49 CO 0.29 -0.17 0.93 -0.22 -0.54 0.00 0.00 174.62 174.91 1m8b s LEU 50 N -3.02 4.06 -0.04 4.79 1.98 -1.26 -0.12 118.68 125.07 1m8b s LEU 50 Ca 0.26 1.05 -0.22 0.00 -2.89 0.00 0.00 54.13 52.33 1m8b s LEU 50 Cb -0.08 -3.33 -0.27 0.00 0.66 0.00 0.00 46.19 43.17 1m8b s LEU 50 CO 0.16 -0.65 0.97 -1.28 -1.89 0.00 0.00 176.35 173.66 1m8b h SER 51 N 7.79 0.40 -5.93 3.68 0.87 -1.13 -3.45 113.55 115.78 1m8b h SER 51 Ca -0.22 -0.87 0.38 0.00 -1.23 0.00 0.00 61.79 59.85 1m8b h SER 51 Cb 1.08 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 62.78 1m8b h SER 51 CO 0.94 1.23 0.95 -1.38 -0.53 0.00 0.00 176.83 178.03 1m8b s HIS 52 N -2.76 -0.01 0.36 2.24 -3.43 -0.76 -3.67 115.29 107.26 1m8b s HIS 52 Ca -0.14 -0.02 -0.00 0.00 -0.80 0.00 0.00 55.06 54.09 1m8b s HIS 52 Cb 0.01 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1m8b s HIS 52 CO 0.80 -0.09 0.57 -0.06 -2.00 0.00 0.00 174.74 173.97 1m8b s PHE 53 N -2.12 3.50 0.00 0.38 0.08 -1.26 0.07 117.98 118.62 1m8b s PHE 53 Ca 0.16 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.60 1m8b s PHE 53 Cb 0.07 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1m8b s PHE 53 CO -0.06 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 1m8b n GLY 54 N -1.84 -1.34 3.46 4.36 0.00 0.50 -4.73 105.19 105.60 1m8b n GLY 54 Ca -0.04 -1.33 -0.54 0.00 0.00 0.00 0.00 46.02 44.11 1m8b n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m8b n LYS 55 N -0.14 0.00 0.00 1.61 5.02 -1.26 -3.92 118.16 119.47 1m8b n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1m8b n LYS 55 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88