#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 -3.62 -2.54 -1.18 0.00 -1.26 -5.02 120.51 106.88 1m8b n ALA 2 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1m8b n ALA 2 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 19.45 16.19 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 1.46 3.77 -3.83 0.00 0.00 -1.26 -5.07 120.51 115.57 1m8b n ALA 3 Ca 0.01 -3.34 -0.00 0.00 0.00 0.00 0.00 53.44 50.10 1m8b n ALA 3 Cb 0.71 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.47 1m8b n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m8b s VAL 4 N -4.11 0.00 0.00 0.00 0.11 -1.26 -5.13 120.40 110.00 1m8b s VAL 4 Ca 0.36 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1m8b s VAL 4 Cb 0.39 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1m8b s VAL 4 CO -0.03 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.50 1m8b n SER 5 N -0.90 0.00 -4.94 3.54 2.88 -1.26 -5.09 113.62 107.85 1m8b n SER 5 Ca -0.03 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.26 1m8b n SER 5 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 1m8b n SER 5 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1m8b s VAL 6 N -0.20 5.19 -0.19 2.46 0.11 -1.26 -5.09 120.40 121.42 1m8b s VAL 6 Ca 0.00 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1m8b s VAL 6 Cb 0.00 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 1m8b s VAL 6 CO 0.00 -0.31 -0.02 -0.62 -3.33 0.00 0.00 175.10 170.82 1m8b s ASP 7 N -3.57 4.78 -0.01 3.54 2.15 -1.26 -4.92 116.67 117.38 1m8b s ASP 7 Ca 0.38 -0.19 0.01 0.00 0.43 0.00 0.00 52.55 53.18 1m8b s ASP 7 Cb -0.10 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.73 1m8b s ASP 7 CO 0.31 0.09 0.73 0.00 -0.17 0.00 0.00 175.17 176.13 1m8b n SER 9 N -0.16 5.65 0.00 0.00 2.88 -1.26 -2.96 113.62 117.77 1m8b n SER 9 Ca 0.01 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1m8b n SER 9 Cb 0.52 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m8b n GLU 10 N 5.15 0.00 -0.95 -1.46 0.00 -1.26 -5.15 120.64 116.97 1m8b n GLU 10 Ca 0.62 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 57.44 1m8b n GLU 10 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.80 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 -0.75 -4.65 -2.53 -1.84 4.02 -1.16 -4.65 117.16 105.60 1m8b n TYR 11 Ca 0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 1m8b n TYR 11 Cb 0.00 -1.34 -0.04 0.00 -0.02 0.00 0.00 39.34 37.94 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 -1.76 4.07 0.03 -0.72 0.04 -1.26 -5.09 135.00 130.31 1m8b s PRO 12 Ca 0.38 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1m8b s PRO 12 Cb -0.19 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1m8b s PRO 12 CO 0.75 -0.22 0.16 -1.59 0.04 0.00 0.00 177.00 176.14 1m8b s LYS 13 N -2.65 3.28 -0.49 4.56 -2.85 -1.26 -5.02 119.74 115.31 1m8b s LYS 13 Ca 0.60 -0.45 0.03 0.00 -1.00 0.00 0.00 55.97 55.15 1m8b s LYS 13 Cb -0.21 -2.97 0.43 0.00 -2.06 0.00 0.00 37.83 33.01 1m8b s LYS 13 CO 0.26 0.63 1.45 -3.47 0.10 0.00 0.00 175.35 174.32 1m8b n ASP 14 N 0.67 5.77 -3.25 0.03 2.03 -1.26 -4.90 116.55 115.63 1m8b n ASP 14 Ca -0.09 -3.76 0.03 0.00 0.52 0.00 0.00 54.79 51.49 1m8b n ASP 14 Cb 0.52 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m8b s ALA 15 N -3.70 -3.14 0.42 -1.67 0.00 -1.26 -5.18 121.76 107.23 1m8b s ALA 15 Ca 0.53 1.81 0.03 0.00 0.00 0.00 0.00 51.96 54.33 1m8b s ALA 15 Cb 0.43 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1m8b s ALA 15 CO -0.12 -1.06 0.08 0.00 0.00 0.00 0.00 175.76 174.67 1m8b s THR 17 N -3.11 3.31 -0.19 0.00 -4.23 -1.26 -5.03 115.64 105.14 1m8b s THR 17 Ca 0.22 -1.63 0.19 0.00 -1.18 0.00 0.00 61.69 59.29 1m8b s THR 17 Cb 0.04 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1m8b s THR 17 CO 0.12 -0.22 1.02 -0.07 -0.54 0.00 0.00 174.62 174.93 1m8b h LEU 18 N 1.53 0.00 -9.32 4.79 3.38 -2.04 -3.47 115.31 110.17 1m8b h LEU 18 Ca -0.44 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.99 1m8b h LEU 18 Cb 1.25 0.00 0.23 0.00 0.09 0.00 0.00 40.66 42.23 1m8b h LEU 18 CO 0.62 0.30 -1.42 -0.62 0.09 0.00 0.00 178.44 177.40 1m8b n GLU 19 N -2.85 -0.19 -4.12 1.13 4.71 -1.26 -4.96 120.64 113.10 1m8b n GLU 19 Ca -0.04 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.16 56.73 1m8b n GLU 19 Cb 0.69 -1.35 -0.15 0.00 -1.01 0.00 0.00 31.44 29.63 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1m8b s TYR 20 N -2.16 2.87 -0.30 -0.32 6.14 -1.26 -4.91 117.35 117.42 1m8b s TYR 20 Ca 0.47 -1.14 -0.02 0.00 0.64 0.00 0.00 57.07 57.02 1m8b s TYR 20 Cb -0.17 -2.00 0.12 0.00 0.42 0.00 0.00 41.96 40.33 1m8b s TYR 20 CO 0.75 -0.59 0.22 0.50 0.64 0.00 0.00 175.55 177.08 1m8b s ARG 21 N 1.25 0.29 0.08 4.97 6.06 0.28 -5.04 118.95 126.85 1m8b s ARG 21 Ca 0.03 -0.42 -0.30 0.00 -2.50 0.00 0.00 55.73 52.54 1m8b s ARG 21 Cb -0.14 -0.91 -0.06 0.00 0.06 0.00 0.00 34.95 33.90 1m8b s ARG 21 CO -0.05 -1.05 1.15 -1.25 -2.50 0.00 0.00 175.30 171.61 1m8b s PRO 22 N 2.13 4.48 0.33 5.12 0.04 -1.10 -2.20 135.00 143.80 1m8b s PRO 22 Ca 0.10 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1m8b s PRO 22 Cb -0.15 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 1m8b s PRO 22 CO -0.31 -0.15 -0.06 -0.51 0.04 0.00 0.00 177.00 176.01 1m8b s LEU 23 N 0.69 2.62 -0.21 -3.56 1.02 -0.56 0.17 118.68 118.87 1m8b s LEU 23 Ca 0.56 -1.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.44 1m8b s LEU 23 Cb -0.29 -0.81 0.07 0.00 0.02 0.00 0.00 46.19 45.18 1m8b s LEU 23 CO 0.31 -0.31 0.06 0.00 0.02 0.00 0.00 176.35 176.42 1m8b s GLY 25 N 1.90 1.60 0.46 0.00 0.00 -0.12 -0.22 107.32 110.94 1m8b s GLY 25 Ca 0.01 -0.70 0.26 0.00 0.00 0.00 0.00 44.72 44.29 1m8b s GLY 25 CO -0.11 -0.01 1.82 0.23 0.00 0.00 0.00 173.10 175.03 1m8b h SER 26 N -1.92 0.00 -0.20 1.64 0.87 -1.16 -2.02 113.55 110.76 1m8b h SER 26 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1m8b h SER 26 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1m8b h SER 26 CO 0.50 0.16 0.00 -0.90 -0.53 0.00 0.00 176.83 176.06 1m8b n ASP 27 N -3.27 1.20 -1.58 6.23 5.75 -1.26 -4.85 116.55 118.76 1m8b n ASP 27 Ca 0.01 -1.89 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 1m8b n ASP 27 Cb 0.42 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8b n ASN 28 N 0.12 -3.74 -4.48 -1.12 2.85 -0.76 -4.99 115.26 103.15 1m8b n ASN 28 Ca 0.10 -0.14 -0.42 0.00 -0.11 0.00 0.00 54.58 54.00 1m8b n ASN 28 Cb 0.21 -2.61 -0.10 0.00 1.24 0.00 0.00 39.78 38.52 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m8b s LYS 29 N -5.12 3.08 -0.33 1.20 1.02 -1.25 -4.86 119.74 113.49 1m8b s LYS 29 Ca 0.15 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 1m8b s LYS 29 Cb -0.07 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1m8b s LYS 29 CO 0.19 -0.69 0.78 0.99 -0.92 0.00 0.00 175.35 175.70 1m8b s THR 30 N 1.70 4.77 0.33 2.17 2.01 -1.26 -0.94 115.64 124.42 1m8b s THR 30 Ca 0.05 1.05 0.07 0.00 0.31 0.00 0.00 61.69 63.17 1m8b s THR 30 Cb -0.19 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 1m8b s THR 30 CO 0.10 -0.33 0.34 -0.31 -0.69 0.00 0.00 174.62 173.73 1m8b s TYR 31 N 3.02 2.97 -0.07 4.92 2.02 -0.36 -4.93 117.35 124.92 1m8b s TYR 31 Ca 0.32 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.80 1m8b s TYR 31 Cb -0.14 -1.83 -0.24 0.00 -0.40 0.00 0.00 41.96 39.35 1m8b s TYR 31 CO 0.14 0.15 0.56 0.41 -1.57 0.00 0.00 175.55 175.24 1m8b n GLY 32 N -1.44 -0.84 3.32 0.71 0.00 -1.26 -1.49 105.19 104.19 1m8b n GLY 32 Ca -0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1m8b n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m8b s ASN 33 N -6.42 0.09 0.50 1.61 -0.87 -0.93 -0.56 114.94 108.35 1m8b s ASN 33 Ca -0.11 -1.03 0.33 0.00 -1.57 0.00 0.00 52.86 50.49 1m8b s ASN 33 Cb 0.07 0.42 1.59 0.00 -0.02 0.00 0.00 41.25 43.32 1m8b s ASN 33 CO 0.81 -0.89 2.00 0.50 -2.57 0.00 0.00 177.10 176.95 1m8b h LYS 34 N 2.57 0.00 -0.06 -0.60 3.64 -1.95 -1.90 116.57 118.27 1m8b h LYS 34 Ca -0.32 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1m8b h LYS 34 Cb 1.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1m8b h LYS 34 CO 0.49 0.00 -0.09 0.00 -2.27 0.00 0.00 179.45 177.58 1m8b h ASN 36 N -0.30 0.45 0.07 0.00 2.35 -1.79 0.34 115.58 116.72 1m8b h ASN 36 Ca 0.01 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1m8b h ASN 36 Cb 0.64 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1m8b h ASN 36 CO 0.02 0.48 -0.04 0.15 -1.65 0.00 0.00 177.43 176.40 1m8b h PHE 37 N 0.39 -0.09 -1.00 1.19 3.04 -1.37 -1.15 116.94 117.94 1m8b h PHE 37 Ca 0.11 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1m8b h PHE 37 Cb 0.16 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1m8b h PHE 37 CO -0.01 -0.00 0.67 0.00 -2.02 0.00 0.00 178.31 176.94 1m8b h ASN 39 N 1.35 0.49 0.87 0.00 2.35 0.16 0.74 115.58 121.54 1m8b h ASN 39 Ca 0.37 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.89 1m8b h ASN 39 Cb -0.14 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1m8b h ASN 39 CO -0.08 0.31 -1.14 0.00 -1.65 0.00 0.00 177.43 174.87 1m8b h ALA 40 N 1.68 0.36 0.48 -0.83 0.00 0.28 -2.59 119.26 118.64 1m8b h ALA 40 Ca 0.27 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1m8b h ALA 40 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1m8b h ALA 40 CO -0.08 1.25 -0.23 0.28 0.00 0.00 0.00 179.25 180.46 1m8b h VAL 41 N 0.01 0.00 -0.28 0.00 2.07 0.20 -1.18 116.25 117.07 1m8b h VAL 41 Ca -0.07 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1m8b h VAL 41 Cb 1.84 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1m8b h VAL 41 CO 0.14 0.00 0.26 1.62 0.02 0.00 0.00 177.57 179.61 1m8b h VAL 42 N -1.06 0.55 -0.30 2.57 3.04 0.23 1.52 116.25 122.80 1m8b h VAL 42 Ca -0.07 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.45 1m8b h VAL 42 Cb 0.50 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1m8b h VAL 42 CO 0.11 0.00 -0.50 -0.33 -1.01 0.00 0.00 177.57 175.84 1m8b h GLU 43 N 0.00 0.83 -1.56 4.17 5.08 -1.34 -3.05 114.58 118.71 1m8b h GLU 43 Ca 0.13 -0.50 -0.36 0.00 -1.00 0.00 0.00 59.36 57.63 1m8b h GLU 43 Cb 0.66 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.80 1m8b h GLU 43 CO -0.00 1.13 0.43 0.45 -1.00 0.00 0.00 179.01 180.03 1m8b n SER 44 N -4.01 6.53 -0.79 1.42 2.88 0.65 -4.71 113.62 115.59 1m8b n SER 44 Ca -0.03 -3.12 -0.10 0.00 -1.33 0.00 0.00 58.87 54.28 1m8b n SER 44 Cb 0.60 -1.08 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 1m8b n SER 44 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1m8b n ASN 45 N 0.37 -5.57 -1.28 -3.46 4.13 -1.15 -0.81 115.26 107.48 1m8b n ASN 45 Ca 0.34 0.25 -0.11 0.00 1.68 0.00 0.00 54.58 56.75 1m8b n ASN 45 Cb 0.58 -3.97 -0.00 0.00 -1.54 0.00 0.00 39.78 34.85 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8b n GLY 46 N 0.05 -0.06 0.10 7.41 0.00 0.49 -4.92 105.19 108.26 1m8b n GLY 46 Ca -0.10 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1m8b n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m8b n THR 47 N -4.00 1.68 -1.67 2.61 -2.24 0.01 -4.90 114.28 105.77 1m8b n THR 47 Ca -0.12 -0.74 -0.45 0.00 -2.27 0.00 0.00 64.05 60.47 1m8b n THR 47 Cb 0.59 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 1m8b n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1m8b n LEU 48 N -3.21 3.09 -4.61 3.22 -0.00 -1.26 -4.98 117.00 109.24 1m8b n LEU 48 Ca -0.23 1.12 -0.27 0.00 -0.00 0.00 0.00 56.01 56.63 1m8b n LEU 48 Cb 1.05 -1.42 -0.08 0.00 -0.00 0.00 0.00 43.42 42.96 1m8b n LEU 48 CO 0.44 -0.43 -0.37 0.42 -0.00 0.00 0.00 177.39 177.45 1m8b s THR 49 N 0.27 3.44 -0.24 1.96 -4.23 -1.26 -4.84 115.64 110.74 1m8b s THR 49 Ca 0.72 -1.56 -0.25 0.00 -1.18 0.00 0.00 61.69 59.42 1m8b s THR 49 Cb -0.66 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.45 1m8b s THR 49 CO 0.46 -0.12 0.85 -0.22 -0.54 0.00 0.00 174.62 175.05 1m8b s LEU 50 N -2.91 4.09 0.00 4.79 0.20 -1.26 -0.60 118.68 123.00 1m8b s LEU 50 Ca 0.26 1.08 -0.21 0.00 0.69 0.00 0.00 54.13 55.95 1m8b s LEU 50 Cb -0.09 -3.23 -0.20 0.00 -0.43 0.00 0.00 46.19 42.24 1m8b s LEU 50 CO 0.17 -0.53 1.18 -1.28 -0.29 0.00 0.00 176.35 175.60 1m8b h SER 51 N 7.64 0.39 -5.74 3.68 0.87 -0.76 -3.45 113.55 116.18 1m8b h SER 51 Ca -0.23 -0.65 0.31 0.00 -1.23 0.00 0.00 61.79 60.00 1m8b h SER 51 Cb 1.09 -0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.83 1m8b h SER 51 CO 0.88 0.98 0.81 -1.38 -0.53 0.00 0.00 176.83 177.59 1m8b s HIS 52 N -3.63 -0.03 0.29 2.24 0.00 -0.68 -4.84 115.29 108.64 1m8b s HIS 52 Ca -0.14 -0.10 0.01 0.00 -3.00 0.00 0.00 55.06 51.82 1m8b s HIS 52 Cb 0.04 0.56 -0.04 0.00 -4.00 0.00 0.00 32.58 29.14 1m8b s HIS 52 CO 0.77 -0.34 0.49 -0.06 -1.00 0.00 0.00 174.74 174.60 1m8b s PHE 53 N -2.39 3.49 0.00 0.38 0.40 -1.26 -1.46 117.98 117.14 1m8b s PHE 53 Ca 0.17 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1m8b s PHE 53 Cb 0.03 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.71 1m8b s PHE 53 CO -0.03 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1m8b n GLY 54 N -1.42 -2.17 3.53 4.36 0.00 0.45 -4.81 105.19 105.12 1m8b n GLY 54 Ca -0.05 -1.32 -0.56 0.00 0.00 0.00 0.00 46.02 44.09 1m8b n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m8b n LYS 55 N -0.90 0.42 0.00 1.61 0.00 -1.20 -4.13 118.16 113.95 1m8b n LYS 55 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1m8b n LYS 55 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.35 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40