#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b s ALA 2 N 0.00 4.51 -0.38 -1.18 0.00 -1.25 -4.77 121.76 118.68 1m8b s ALA 2 Ca 0.00 -3.68 0.09 0.00 0.00 0.00 0.00 51.96 48.37 1m8b s ALA 2 Cb 0.00 -3.70 0.44 0.00 0.00 0.00 0.00 23.12 19.86 1m8b s ALA 2 CO 0.00 -2.35 1.08 0.00 0.00 0.00 0.00 175.76 174.49 1m8b n ALA 3 N 3.53 4.53 -3.83 0.00 0.00 -1.26 -5.03 120.51 118.44 1m8b n ALA 3 Ca 0.26 -3.88 -0.08 0.00 0.00 0.00 0.00 53.44 49.74 1m8b n ALA 3 Cb 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.74 0.00 -0.30 0.00 0.11 -1.26 -5.19 120.40 109.03 1m8b s VAL 4 Ca 0.42 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 1m8b s VAL 4 Cb 0.41 -2.45 0.20 0.00 -1.53 0.00 0.00 36.38 33.01 1m8b s VAL 4 CO -0.10 0.00 1.39 -0.94 -3.33 0.00 0.00 175.10 172.13 1m8b s SER 5 N -3.00 -0.00 0.30 3.54 1.04 -1.26 -4.67 113.70 109.65 1m8b s SER 5 Ca 0.13 0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 1m8b s SER 5 Cb -0.05 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1m8b s SER 5 CO 0.09 -0.00 0.53 0.68 0.98 0.00 0.00 173.24 175.51 1m8b s VAL 6 N -1.06 5.09 -0.30 5.02 -7.23 -1.26 -5.05 120.40 115.60 1m8b s VAL 6 Ca 0.10 -0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.79 1m8b s VAL 6 Cb -0.01 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1m8b s VAL 6 CO -0.08 -0.41 0.85 -0.62 -0.31 0.00 0.00 175.10 174.53 1m8b s ASP 7 N -3.55 6.73 0.00 4.85 2.15 -1.26 -4.83 116.67 120.76 1m8b s ASP 7 Ca 0.41 0.77 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1m8b s ASP 7 Cb -0.10 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1m8b s ASP 7 CO 0.33 -0.66 0.40 0.00 -0.17 0.00 0.00 175.17 175.07 1m8b n SER 9 N -0.19 5.23 0.00 0.00 2.88 -1.26 -2.36 113.62 117.92 1m8b n SER 9 Ca 0.00 -2.36 0.00 0.00 -1.33 0.00 0.00 58.87 55.18 1m8b n SER 9 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 4.25 0.00 -0.92 -1.46 0.00 -1.26 -5.15 120.64 116.10 1m8b n GLU 10 Ca 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.31 1m8b n GLU 10 Cb 0.15 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.63 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 -1.25 -4.69 -2.53 -1.84 4.02 -0.99 -4.66 117.16 105.21 1m8b n TYR 11 Ca 0.00 -0.02 -0.37 0.00 -0.01 0.00 0.00 57.90 57.51 1m8b n TYR 11 Cb 0.00 -1.31 -0.04 0.00 -0.02 0.00 0.00 39.34 37.97 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 -1.78 4.16 0.36 -0.72 0.04 -1.26 -5.05 135.00 130.75 1m8b s PRO 12 Ca 0.37 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 1m8b s PRO 12 Cb -0.18 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 1m8b s PRO 12 CO 0.75 -0.14 0.84 0.21 0.04 0.00 0.00 177.00 178.70 1m8b s LYS 13 N -2.47 4.18 0.14 4.56 2.20 -1.26 -4.96 119.74 122.12 1m8b s LYS 13 Ca 0.58 0.94 -0.27 0.00 -0.36 0.00 0.00 55.97 56.85 1m8b s LYS 13 Cb -0.23 -2.41 -0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1m8b s LYS 13 CO 0.28 0.12 1.40 -3.47 -0.36 0.00 0.00 175.35 173.32 1m8b n ASP 14 N -0.28 -0.93 -2.63 1.43 2.03 -1.26 -4.74 116.55 110.17 1m8b n ASP 14 Ca 0.04 1.61 -0.13 0.00 0.52 0.00 0.00 54.79 56.83 1m8b n ASP 14 Cb 0.53 -0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.66 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m8b n ALA 15 N -3.29 0.21 -2.47 -1.67 0.00 -1.26 -5.18 120.51 106.85 1m8b n ALA 15 Ca 0.02 -1.38 -0.22 0.00 0.00 0.00 0.00 53.44 51.85 1m8b n ALA 15 Cb 0.23 1.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.39 3.63 -0.16 0.00 -4.23 -1.26 -5.02 115.64 106.22 1m8b s THR 17 Ca 0.40 -0.97 0.18 0.00 -1.18 0.00 0.00 61.69 60.12 1m8b s THR 17 Cb -0.04 -3.25 -0.07 0.00 1.34 0.00 0.00 72.50 70.48 1m8b s THR 17 CO 0.25 -0.10 0.96 -0.07 -0.54 0.00 0.00 174.62 175.12 1m8b h LEU 18 N 0.75 0.00 -9.39 4.79 4.07 -2.04 -3.47 115.31 110.03 1m8b h LEU 18 Ca -0.44 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 56.89 1m8b h LEU 18 Cb 1.27 0.00 0.05 0.00 1.08 0.00 0.00 40.66 43.06 1m8b h LEU 18 CO 0.50 0.44 0.64 -0.62 -1.08 0.00 0.00 178.44 178.32 1m8b n GLU 19 N -2.89 1.66 -3.60 1.13 4.71 -1.26 -4.93 120.64 115.45 1m8b n GLU 19 Ca -0.06 0.60 -0.38 0.00 -0.01 0.00 0.00 57.16 57.31 1m8b n GLU 19 Cb 0.76 -2.31 -0.11 0.00 -1.01 0.00 0.00 31.44 28.77 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 0.77 3.21 -0.21 -0.32 6.14 -1.26 -4.83 117.35 120.85 1m8b s TYR 20 Ca 0.82 0.07 -0.04 0.00 0.64 0.00 0.00 57.07 58.56 1m8b s TYR 20 Cb -0.82 -2.37 0.09 0.00 0.42 0.00 0.00 41.96 39.28 1m8b s TYR 20 CO 0.43 -0.18 0.18 1.03 0.64 0.00 0.00 175.55 177.64 1m8b s ARG 21 N 1.75 0.16 0.23 4.97 1.81 0.92 -5.01 118.95 123.78 1m8b s ARG 21 Ca 0.07 -0.01 -0.30 0.00 -1.72 0.00 0.00 55.73 53.77 1m8b s ARG 21 Cb -0.16 -1.35 -0.09 0.00 -0.45 0.00 0.00 34.95 32.91 1m8b s ARG 21 CO 0.11 -0.74 1.09 -1.25 -0.68 0.00 0.00 175.30 173.83 1m8b s PRO 22 N 2.24 4.63 0.26 3.54 0.04 -1.08 -2.18 135.00 142.45 1m8b s PRO 22 Ca 0.06 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1m8b s PRO 22 Cb -0.16 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1m8b s PRO 22 CO -0.16 0.16 0.06 -0.51 0.04 0.00 0.00 177.00 176.59 1m8b s LEU 23 N -0.94 1.89 -0.17 -3.56 1.43 -0.58 0.19 118.68 116.94 1m8b s LEU 23 Ca 0.47 -1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1m8b s LEU 23 Cb -0.31 -0.11 0.05 0.00 0.03 0.00 0.00 46.19 45.86 1m8b s LEU 23 CO 0.38 -0.65 0.04 0.00 0.23 0.00 0.00 176.35 176.35 1m8b s GLY 25 N 1.95 1.66 0.42 0.00 0.00 0.10 -0.10 107.32 111.35 1m8b s GLY 25 Ca 0.01 -1.04 0.23 0.00 0.00 0.00 0.00 44.72 43.92 1m8b s GLY 25 CO -0.08 -0.20 1.74 0.23 0.00 0.00 0.00 173.10 174.80 1m8b h SER 26 N -2.23 0.00 -0.32 1.64 0.87 -0.70 -2.50 113.55 110.32 1m8b h SER 26 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1m8b h SER 26 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1m8b h SER 26 CO 0.36 0.22 0.00 0.47 -0.53 0.00 0.00 176.83 177.35 1m8b n ASP 27 N -3.29 3.25 -2.11 6.23 9.92 -1.26 -4.84 116.55 124.45 1m8b n ASP 27 Ca 0.01 -2.40 -0.18 0.00 -0.53 0.00 0.00 54.79 51.69 1m8b n ASP 27 Cb 0.49 -0.54 -0.00 0.00 -0.64 0.00 0.00 41.12 40.43 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 0.39 -5.24 -4.48 -2.24 5.15 -0.94 -4.94 115.26 102.95 1m8b n ASN 28 Ca 0.14 -0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.64 1m8b n ASN 28 Cb 0.67 -4.28 -0.07 0.00 -0.53 0.00 0.00 39.78 35.57 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 -4.98 3.18 -0.13 1.20 -0.14 -1.25 -4.83 119.74 112.79 1m8b s LYS 29 Ca 0.04 -0.66 -0.25 0.00 -1.36 0.00 0.00 55.97 53.74 1m8b s LYS 29 Cb -0.02 -4.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.10 1m8b s LYS 29 CO 0.04 -1.05 0.82 0.99 -0.76 0.00 0.00 175.35 175.39 1m8b s THR 30 N 2.59 4.91 0.32 2.17 2.01 -1.26 -0.72 115.64 125.67 1m8b s THR 30 Ca 0.17 1.63 0.09 0.00 0.31 0.00 0.00 61.69 63.89 1m8b s THR 30 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1m8b s THR 30 CO 0.15 0.08 0.10 -0.31 -0.69 0.00 0.00 174.62 173.96 1m8b s TYR 31 N 1.77 2.71 -0.08 4.92 2.02 -0.36 -4.94 117.35 123.38 1m8b s TYR 31 Ca 0.39 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1m8b s TYR 31 Cb -0.17 -1.52 -0.25 0.00 -0.40 0.00 0.00 41.96 39.62 1m8b s TYR 31 CO 0.15 0.42 0.51 0.41 -1.57 0.00 0.00 175.55 175.47 1m8b n GLY 32 N -1.08 -0.78 3.35 0.71 0.00 -1.26 -1.53 105.19 104.60 1m8b n GLY 32 Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.53 0.02 0.43 1.61 2.47 -0.92 -0.06 114.94 111.95 1m8b s ASN 33 Ca -0.13 -0.84 0.30 0.00 0.42 0.00 0.00 52.86 52.60 1m8b s ASN 33 Cb 0.07 0.45 1.44 0.00 -1.45 0.00 0.00 41.25 41.75 1m8b s ASN 33 CO 0.80 -0.90 1.90 0.50 -3.72 0.00 0.00 177.10 175.67 1m8b h LYS 34 N 2.52 0.00 0.04 0.43 3.64 -1.91 -1.36 116.57 119.92 1m8b h LYS 34 Ca -0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 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 0.47 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.64 1m8b h ASN 36 N -0.59 0.98 -0.25 0.00 2.35 -1.79 0.30 115.58 116.57 1m8b h ASN 36 Ca -0.01 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1m8b h ASN 36 Cb 0.53 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1m8b h ASN 36 CO 0.01 0.95 0.08 0.15 -1.65 0.00 0.00 177.43 176.97 1m8b h PHE 37 N 0.95 0.41 -0.69 1.19 3.04 -1.27 -1.55 116.94 119.02 1m8b h PHE 37 Ca 0.20 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1m8b h PHE 37 Cb 0.35 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.72 1m8b h PHE 37 CO 0.03 0.46 0.16 0.00 -2.02 0.00 0.00 178.31 176.94 1m8b h ASN 39 N 1.05 0.65 1.28 0.00 -0.73 -0.12 0.57 115.58 118.28 1m8b h ASN 39 Ca 0.22 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.27 1m8b h ASN 39 Cb 0.38 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1m8b h ASN 39 CO 0.00 0.39 -0.73 0.00 -0.37 0.00 0.00 177.43 176.72 1m8b h ALA 40 N 1.60 0.60 0.45 1.57 0.00 -0.45 -2.37 119.26 120.65 1m8b h ALA 40 Ca 0.37 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1m8b h ALA 40 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1m8b h ALA 40 CO -0.14 0.82 -0.22 0.28 0.00 0.00 0.00 179.25 179.99 1m8b h VAL 41 N 0.00 0.14 -0.42 0.00 2.07 0.25 0.28 116.25 118.58 1m8b h VAL 41 Ca -0.03 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1m8b h VAL 41 Cb 1.51 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1m8b h VAL 41 CO 0.08 0.03 0.28 1.62 0.02 0.00 0.00 177.57 179.60 1m8b h VAL 42 N -1.11 1.03 0.00 2.57 3.04 -0.17 1.66 116.25 123.27 1m8b h VAL 42 Ca -0.06 -0.15 -0.13 0.00 -1.01 0.00 0.00 66.70 65.34 1m8b h VAL 42 Cb 0.52 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 1m8b h VAL 42 CO 0.10 0.08 -0.62 -0.33 -1.01 0.00 0.00 177.57 175.79 1m8b h GLU 43 N 0.45 0.00 -0.96 4.17 5.08 -1.40 -2.89 114.58 119.04 1m8b h GLU 43 Ca 0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 1m8b h GLU 43 Cb 0.12 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.23 1m8b h GLU 43 CO -0.04 0.62 0.31 -1.13 -1.00 0.00 0.00 179.01 177.77 1m8b n SER 44 N -3.66 3.48 -0.66 1.42 3.41 0.99 -4.79 113.62 113.81 1m8b n SER 44 Ca -0.01 -2.85 -0.09 0.00 -0.26 0.00 0.00 58.87 55.67 1m8b n SER 44 Cb 0.65 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1m8b n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m8b n ASN 45 N -0.30 -5.53 -0.49 4.04 4.13 -1.06 -0.71 115.26 115.34 1m8b n ASN 45 Ca 0.31 0.21 -0.04 0.00 1.68 0.00 0.00 54.58 56.74 1m8b n ASN 45 Cb 1.11 -3.79 -0.00 0.00 -1.54 0.00 0.00 39.78 35.55 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 0.07 0.22 0.09 7.41 0.00 0.54 -4.94 105.19 108.58 1m8b n GLY 46 Ca -0.09 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.97 1.38 -1.80 2.61 -2.24 0.11 -4.87 114.28 105.51 1m8b n THR 47 Ca -0.05 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 1m8b n THR 47 Cb 0.54 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -5.78 4.33 0.10 3.22 1.98 -1.26 -4.97 118.68 116.29 1m8b s LEU 48 Ca -0.06 2.44 0.03 0.00 -2.89 0.00 0.00 54.13 53.65 1m8b s LEU 48 Cb 0.08 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.36 1m8b s LEU 48 CO 0.83 -1.06 0.10 0.42 -1.89 0.00 0.00 176.35 174.75 1m8b s THR 49 N 4.53 4.58 -0.27 3.68 -4.23 -1.26 -4.82 115.64 117.85 1m8b s THR 49 Ca 0.83 -0.81 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 1m8b s THR 49 Cb -0.38 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 1m8b s THR 49 CO 0.37 0.07 0.77 -0.22 -0.54 0.00 0.00 174.62 175.06 1m8b s LEU 50 N -2.57 4.08 0.00 4.79 0.20 -1.26 0.04 118.68 123.96 1m8b s LEU 50 Ca 0.30 0.80 -0.19 0.00 0.69 0.00 0.00 54.13 55.73 1m8b s LEU 50 Cb -0.12 -3.06 -0.26 0.00 -0.43 0.00 0.00 46.19 42.32 1m8b s LEU 50 CO 0.23 -0.53 1.05 -1.28 -0.29 0.00 0.00 176.35 175.54 1m8b h SER 51 N 7.92 0.58 -5.82 3.68 0.87 -0.66 -3.45 113.55 116.67 1m8b h SER 51 Ca -0.24 -0.82 0.34 0.00 -1.23 0.00 0.00 61.79 59.84 1m8b h SER 51 Cb 1.10 -0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.78 1m8b h SER 51 CO 0.85 1.33 0.87 -1.38 -0.53 0.00 0.00 176.83 177.98 1m8b s HIS 52 N -2.99 -0.01 0.30 2.24 0.00 -0.78 -3.87 115.29 110.18 1m8b s HIS 52 Ca -0.13 -0.09 0.02 0.00 -3.00 0.00 0.00 55.06 51.86 1m8b s HIS 52 Cb 0.03 0.55 -0.03 0.00 -4.00 0.00 0.00 32.58 29.13 1m8b s HIS 52 CO 0.84 -0.25 0.48 -0.06 -1.00 0.00 0.00 174.74 174.76 1m8b s PHE 53 N -2.23 3.48 0.00 0.38 0.08 -1.26 -1.25 117.98 117.19 1m8b s PHE 53 Ca 0.20 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1m8b s PHE 53 Cb 0.03 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1m8b s PHE 53 CO -0.03 0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 1m8b n GLY 54 N -1.56 -2.79 3.42 4.36 0.00 0.51 -4.79 105.19 104.33 1m8b n GLY 54 Ca -0.06 -1.25 -0.51 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.21 0.00 0.00 1.61 5.02 -1.25 -4.13 118.16 118.20 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 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88