#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 -3.04 -2.71 1.47 0.00 -1.26 -4.94 120.51 110.03 1m8b n ALA 2 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 1m8b n ALA 2 Cb 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.78 -1.79 -0.80 0.00 0.00 -1.26 -4.79 120.51 110.09 1m8b n ALA 3 Ca 0.01 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1m8b n ALA 3 Cb 0.50 -3.85 -0.03 0.00 0.00 0.00 0.00 19.45 16.08 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 -2.71 0.00 -3.15 0.00 3.14 -1.26 -4.98 118.33 109.37 1m8b n VAL 4 Ca -0.06 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.36 1m8b n VAL 4 Cb 0.58 -0.27 -0.04 0.00 -1.06 0.00 0.00 33.84 33.05 1m8b n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1m8b s SER 5 N -4.40 -0.00 -0.14 6.55 0.15 -1.26 -4.82 113.70 109.78 1m8b s SER 5 Ca 0.00 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 1m8b s SER 5 Cb 0.00 1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 65.27 1m8b s SER 5 CO 0.00 -0.00 0.04 0.68 1.20 0.00 0.00 173.24 175.16 1m8b s VAL 6 N 2.02 4.63 0.05 4.45 -7.23 -1.26 -5.06 120.40 118.00 1m8b s VAL 6 Ca 0.01 -0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1m8b s VAL 6 Cb -0.00 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 33.84 1m8b s VAL 6 CO -0.16 0.54 1.56 -0.62 -0.31 0.00 0.00 175.10 176.11 1m8b s ASP 7 N -0.25 6.69 0.00 4.85 2.15 -1.26 -4.80 116.67 124.05 1m8b s ASP 7 Ca 0.07 2.36 0.04 0.00 0.43 0.00 0.00 52.55 55.45 1m8b s ASP 7 Cb -0.12 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.00 1m8b s ASP 7 CO 0.02 -0.82 0.87 0.00 -0.17 0.00 0.00 175.17 175.06 1m8b n SER 9 N 0.07 3.62 -0.30 0.00 7.64 -1.26 -4.18 113.62 119.22 1m8b n SER 9 Ca -0.12 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1m8b n SER 9 Cb 0.70 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1m8b n GLU 10 N -0.80 0.00 -3.25 1.43 0.00 -1.26 -5.11 120.64 111.66 1m8b n GLU 10 Ca 0.41 -0.64 -0.25 0.00 0.00 0.00 0.00 57.16 56.67 1m8b n GLU 10 Cb 1.28 -0.40 -0.01 0.00 0.00 0.00 0.00 31.44 32.31 1m8b n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1m8b s TYR 11 N 0.00 3.51 0.36 -1.84 1.51 -1.26 -3.93 117.35 115.70 1m8b s TYR 11 Ca 0.00 0.46 -0.26 0.00 -1.01 0.00 0.00 57.07 56.26 1m8b s TYR 11 Cb 0.00 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 1m8b s TYR 11 CO 0.00 0.06 1.06 -1.25 -1.11 0.00 0.00 175.55 174.31 1m8b s PRO 12 N -4.30 4.33 0.23 -1.71 0.04 -1.26 -4.96 135.00 127.37 1m8b s PRO 12 Ca 0.42 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1m8b s PRO 12 Cb -0.10 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 1m8b s PRO 12 CO 0.37 -0.02 0.61 0.15 0.04 0.00 0.00 177.00 178.15 1m8b s LYS 13 N -2.13 3.93 0.05 4.56 1.02 -1.25 -5.00 119.74 120.91 1m8b s LYS 13 Ca 0.53 0.47 -0.25 0.00 0.02 0.00 0.00 55.97 56.73 1m8b s LYS 13 Cb -0.25 -2.67 -0.17 0.00 -0.52 0.00 0.00 37.83 34.22 1m8b s LYS 13 CO 0.32 0.32 1.52 0.22 -0.92 0.00 0.00 175.35 176.81 1m8b h ASP 14 N 2.76 -0.18 -4.94 2.83 3.58 -2.01 -3.45 116.42 115.00 1m8b h ASP 14 Ca -0.48 -0.13 -0.36 0.00 0.42 0.00 0.00 57.03 56.48 1m8b h ASP 14 Cb 1.18 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 1m8b h ASP 14 CO 0.67 0.03 -0.17 0.00 -2.88 0.00 0.00 179.24 176.88 1m8b n ALA 15 N -2.28 0.52 -3.49 -0.78 0.00 -1.26 -5.16 120.51 108.07 1m8b n ALA 15 Ca -0.09 -1.38 -0.10 0.00 0.00 0.00 0.00 53.44 51.87 1m8b n ALA 15 Cb 0.17 0.58 -0.01 0.00 0.00 0.00 0.00 19.45 20.19 1m8b n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s THR 17 N -2.89 2.82 -0.10 0.00 -4.23 -1.26 -5.02 115.64 104.98 1m8b s THR 17 Ca 0.20 -0.16 0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1m8b s THR 17 Cb -0.03 -3.18 -0.20 0.00 1.34 0.00 0.00 72.50 70.43 1m8b s THR 17 CO 0.13 -0.19 0.15 0.18 -0.54 0.00 0.00 174.62 174.35 1m8b n LEU 18 N -2.79 0.00 -4.68 4.79 7.99 -1.26 -5.00 117.00 116.06 1m8b n LEU 18 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.71 1m8b n LEU 18 Cb 0.59 0.22 0.09 0.00 -0.11 0.00 0.00 43.42 44.21 1m8b n LEU 18 CO 0.52 0.22 0.73 -1.84 -1.51 0.00 0.00 177.39 175.52 1m8b n GLU 19 N -2.34 0.70 -4.07 3.23 0.00 -1.26 -4.99 120.64 111.90 1m8b n GLU 19 Ca -0.16 0.30 -0.35 0.00 0.00 0.00 0.00 57.16 56.95 1m8b n GLU 19 Cb 0.76 -2.39 -0.11 0.00 0.00 0.00 0.00 31.44 29.69 1m8b n GLU 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1m8b s TYR 20 N -1.70 3.13 -0.21 -1.84 6.14 -1.26 -4.91 117.35 116.70 1m8b s TYR 20 Ca 0.77 -0.19 -0.04 0.00 0.64 0.00 0.00 57.07 58.26 1m8b s TYR 20 Cb -0.35 -2.08 0.11 0.00 0.42 0.00 0.00 41.96 40.05 1m8b s TYR 20 CO 0.46 -0.05 0.29 1.03 0.64 0.00 0.00 175.55 177.92 1m8b s ARG 21 N 0.71 0.25 0.13 4.97 1.81 0.31 -5.03 118.95 122.10 1m8b s ARG 21 Ca 0.02 0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 54.14 1m8b s ARG 21 Cb -0.14 -0.76 -0.07 0.00 -0.45 0.00 0.00 34.95 33.53 1m8b s ARG 21 CO 0.02 -0.60 1.14 -1.25 -0.68 0.00 0.00 175.30 173.92 1m8b s PRO 22 N 2.43 4.53 0.33 3.54 0.04 -1.17 -2.20 135.00 142.50 1m8b s PRO 22 Ca 0.08 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1m8b s PRO 22 Cb -0.15 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1m8b s PRO 22 CO -0.13 -0.06 -0.06 -0.51 0.04 0.00 0.00 177.00 176.28 1m8b s LEU 23 N 0.19 2.64 -0.11 -3.56 1.02 -0.55 0.19 118.68 118.50 1m8b s LEU 23 Ca 0.53 -1.24 -0.02 0.00 0.02 0.00 0.00 54.13 53.42 1m8b s LEU 23 Cb -0.29 -0.83 0.04 0.00 0.02 0.00 0.00 46.19 45.12 1m8b s LEU 23 CO 0.33 -0.31 0.02 0.00 0.02 0.00 0.00 176.35 176.41 1m8b s GLY 25 N 1.97 1.64 0.45 0.00 0.00 0.54 0.23 107.32 112.15 1m8b s GLY 25 Ca 0.03 -0.79 0.23 0.00 0.00 0.00 0.00 44.72 44.19 1m8b s GLY 25 CO -0.06 -0.22 1.90 0.23 0.00 0.00 0.00 173.10 174.94 1m8b h SER 26 N -1.24 0.00 -0.33 1.64 0.87 -0.72 -1.42 113.55 112.35 1m8b h SER 26 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1m8b h SER 26 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1m8b h SER 26 CO 0.58 0.24 0.00 0.47 -0.53 0.00 0.00 176.83 177.59 1m8b n ASP 27 N -3.60 3.30 -1.62 6.23 9.92 -1.26 -4.84 116.55 124.68 1m8b n ASP 27 Ca -0.01 -2.41 -0.15 0.00 -0.53 0.00 0.00 54.79 51.69 1m8b n ASP 27 Cb 0.37 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.41 -4.63 -4.50 -2.24 2.85 -0.54 -4.94 115.26 101.67 1m8b n ASN 28 Ca 0.15 0.06 -0.43 0.00 -0.11 0.00 0.00 54.58 54.25 1m8b n ASN 28 Cb 0.68 -3.71 -0.05 0.00 1.24 0.00 0.00 39.78 37.94 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 -4.47 3.27 0.07 1.20 1.02 -1.25 -4.78 119.74 114.82 1m8b s LYS 29 Ca 0.00 -0.44 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 1m8b s LYS 29 Cb 0.00 -4.06 -0.06 0.00 -0.52 0.00 0.00 37.83 33.19 1m8b s LYS 29 CO 0.00 -1.41 0.78 0.99 -0.92 0.00 0.00 175.35 174.79 1m8b s THR 30 N 3.57 4.64 0.31 2.17 2.01 -1.26 -0.34 115.64 126.75 1m8b s THR 30 Ca 0.26 1.67 0.06 0.00 0.31 0.00 0.00 61.69 63.99 1m8b s THR 30 Cb -0.14 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1m8b s THR 30 CO 0.17 0.40 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.16 1m8b s TYR 31 N -0.29 2.08 -0.06 4.92 2.02 -0.35 -4.94 117.35 120.73 1m8b s TYR 31 Ca 0.38 -0.73 0.12 0.00 -0.37 0.00 0.00 57.07 56.47 1m8b s TYR 31 Cb -0.21 -1.27 -0.23 0.00 -0.40 0.00 0.00 41.96 39.85 1m8b s TYR 31 CO 0.24 0.28 0.60 0.41 -1.57 0.00 0.00 175.55 175.51 1m8b n GLY 32 N -0.68 -0.97 3.31 0.71 0.00 -1.26 -1.48 105.19 104.81 1m8b n GLY 32 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.11 -0.22 0.48 1.61 3.84 -0.93 -0.53 114.94 113.08 1m8b s ASN 33 Ca -0.06 -0.27 0.33 0.00 0.21 0.00 0.00 52.86 53.06 1m8b s ASN 33 Cb 0.08 0.45 1.67 0.00 -0.55 0.00 0.00 41.25 42.90 1m8b s ASN 33 CO 0.82 -0.80 1.99 0.50 -2.79 0.00 0.00 177.10 176.82 1m8b h LYS 34 N 2.55 0.00 -0.15 0.43 3.64 -1.94 -0.81 116.57 120.29 1m8b h LYS 34 Ca -0.33 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1m8b h LYS 34 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1m8b h LYS 34 CO 0.47 0.00 -0.16 0.00 -2.27 0.00 0.00 179.45 177.49 1m8b h ASN 36 N -0.00 0.56 -0.36 0.00 2.35 -1.59 -1.91 115.58 114.63 1m8b h ASN 36 Ca 0.02 -0.23 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1m8b h ASN 36 Cb 0.70 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1m8b h ASN 36 CO 0.04 0.87 -0.42 0.15 -1.65 0.00 0.00 177.43 176.41 1m8b h PHE 37 N 0.45 1.12 -0.09 1.19 3.04 -1.19 -2.29 116.94 119.17 1m8b h PHE 37 Ca 0.05 -0.35 -0.00 0.00 3.98 0.00 0.00 57.97 61.64 1m8b h PHE 37 Cb 0.83 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1m8b h PHE 37 CO 0.03 1.18 0.05 0.00 -2.02 0.00 0.00 178.31 177.55 1m8b h ASN 39 N 0.06 0.30 0.64 0.00 -0.73 -1.30 0.42 115.58 114.97 1m8b h ASN 39 Ca 0.03 0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.04 1m8b h ASN 39 Cb 0.05 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1m8b h ASN 39 CO -0.01 0.18 -0.76 0.00 -0.37 0.00 0.00 177.43 176.47 1m8b h ALA 40 N 1.71 0.71 0.44 1.57 0.00 -0.64 -1.64 119.26 121.42 1m8b h ALA 40 Ca 0.27 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1m8b h ALA 40 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1m8b h ALA 40 CO -0.07 0.89 -0.21 0.28 0.00 0.00 0.00 179.25 180.14 1m8b h VAL 41 N 0.06 0.30 -0.90 0.00 2.07 0.28 0.43 116.25 118.49 1m8b h VAL 41 Ca -0.02 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.04 1m8b h VAL 41 Cb 1.34 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1m8b h VAL 41 CO 0.11 0.06 0.58 -0.37 0.02 0.00 0.00 177.57 177.97 1m8b h VAL 42 N -1.04 0.92 0.00 2.57 -1.51 -0.87 1.11 116.25 117.43 1m8b h VAL 42 Ca -0.06 -0.29 -0.09 0.00 -1.23 0.00 0.00 66.70 65.03 1m8b h VAL 42 Cb 0.55 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 1m8b h VAL 42 CO 0.10 0.15 -0.41 -0.33 -1.23 0.00 0.00 177.57 175.85 1m8b h GLU 43 N 0.84 0.00 -0.61 5.19 4.39 -1.24 -1.80 114.58 121.35 1m8b h GLU 43 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1m8b h GLU 43 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1m8b h GLU 43 CO -0.20 0.41 0.00 0.43 -1.16 0.00 0.00 179.01 178.49 1m8b n SER 44 N -4.00 2.65 0.00 1.42 7.64 0.10 -4.82 113.62 116.62 1m8b n SER 44 Ca -0.02 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1m8b n SER 44 Cb 0.44 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.39 -3.39 -0.02 6.43 2.85 -0.67 -2.06 115.26 118.78 1m8b n ASN 45 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1m8b n ASN 45 Cb 0.53 -1.67 0.00 0.00 1.24 0.00 0.00 39.78 39.88 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8b n GLY 46 N -1.40 0.72 0.11 8.20 0.00 0.34 -4.93 105.19 108.23 1m8b n GLY 46 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.30 1.52 -1.94 2.61 -2.24 -0.87 -4.92 114.28 105.14 1m8b n THR 47 Ca 0.00 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 1m8b n THR 47 Cb 0.40 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1m8b n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1m8b s LEU 48 N -6.06 4.37 0.20 3.22 2.96 -1.26 -5.00 118.68 117.10 1m8b s LEU 48 Ca -0.15 2.65 0.11 0.00 -0.22 0.00 0.00 54.13 56.52 1m8b s LEU 48 Cb 0.07 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1m8b s LEU 48 CO 0.77 -0.80 -0.23 0.42 -1.32 0.00 0.00 176.35 175.19 1m8b s THR 49 N 0.80 2.38 -0.19 3.68 -4.23 -1.26 -4.84 115.64 111.98 1m8b s THR 49 Ca 0.67 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 1m8b s THR 49 Cb -0.44 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 1m8b s THR 49 CO 0.35 -0.13 0.88 -0.22 -0.54 0.00 0.00 174.62 174.97 1m8b s LEU 50 N -2.72 4.15 0.02 4.79 2.96 -1.26 0.01 118.68 126.63 1m8b s LEU 50 Ca 0.21 1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 55.20 1m8b s LEU 50 Cb -0.08 -3.31 -0.34 0.00 0.50 0.00 0.00 46.19 42.96 1m8b s LEU 50 CO 0.10 -0.48 0.93 -1.28 -1.32 0.00 0.00 176.35 174.31 1m8b h SER 51 N 7.41 0.76 -5.76 3.68 0.87 -0.39 -3.44 113.55 116.68 1m8b h SER 51 Ca -0.26 -0.88 0.31 0.00 -1.23 0.00 0.00 61.79 59.73 1m8b h SER 51 Cb 1.11 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 1m8b h SER 51 CO 0.87 1.70 0.85 -1.38 -0.53 0.00 0.00 176.83 178.34 1m8b s HIS 52 N -2.60 0.04 0.41 2.24 0.00 -0.74 -5.01 115.29 109.63 1m8b s HIS 52 Ca -0.10 -0.20 0.08 0.00 -3.00 0.00 0.00 55.06 51.83 1m8b s HIS 52 Cb 0.05 0.58 0.00 0.00 -4.00 0.00 0.00 32.58 29.22 1m8b s HIS 52 CO 0.92 -0.38 0.54 -0.06 -1.00 0.00 0.00 174.74 174.75 1m8b s PHE 53 N -2.03 2.81 0.37 0.38 0.40 -1.26 -1.37 117.98 117.27 1m8b s PHE 53 Ca 0.28 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1m8b s PHE 53 Cb -0.01 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1m8b s PHE 53 CO 0.00 -0.35 0.00 0.41 0.70 0.00 0.00 175.22 175.98 1m8b n GLY 54 N -1.79 -3.38 3.40 4.36 0.00 0.49 -4.71 105.19 103.55 1m8b n GLY 54 Ca 0.07 -1.10 -0.46 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.67 0.12 0.00 1.61 4.81 -1.25 -4.12 118.16 116.66 1m8b n LYS 55 Ca -0.02 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1m8b n LYS 55 Cb 0.34 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57