#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 3.18 -1.20 1.47 0.00 -1.26 -4.98 121.76 118.96 1m8b s ALA 2 Ca 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 51.96 49.74 1m8b s ALA 2 Cb 0.00 -2.47 0.20 0.00 0.00 0.00 0.00 23.12 20.85 1m8b s ALA 2 CO 0.00 -1.63 2.13 0.00 0.00 0.00 0.00 175.76 176.26 1m8b n ALA 3 N 4.79 6.42 -1.84 0.00 0.00 -1.26 -4.97 120.51 123.65 1m8b n ALA 3 Ca -0.09 -4.31 -0.30 0.00 0.00 0.00 0.00 53.44 48.74 1m8b n ALA 3 Cb 0.43 -2.55 0.19 0.00 0.00 0.00 0.00 19.45 17.51 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 -2.32 1.96 -0.30 0.00 0.11 -1.26 -5.10 120.40 113.49 1m8b s VAL 4 Ca 0.47 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.35 1m8b s VAL 4 Cb 0.18 -2.94 0.21 0.00 -1.53 0.00 0.00 36.38 32.30 1m8b s VAL 4 CO -0.10 0.00 1.28 -0.94 -3.33 0.00 0.00 175.10 172.02 1m8b s SER 5 N -4.76 -0.04 -0.18 3.54 1.04 -1.26 -5.09 113.70 106.95 1m8b s SER 5 Ca 0.73 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.14 1m8b s SER 5 Cb -0.05 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 1m8b s SER 5 CO 0.53 -0.01 0.09 0.68 0.98 0.00 0.00 173.24 175.51 1m8b s VAL 6 N 1.28 5.03 0.07 5.02 -7.23 -1.26 -5.05 120.40 118.27 1m8b s VAL 6 Ca -0.06 0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.85 1m8b s VAL 6 Cb -0.02 -3.26 -0.09 0.00 0.56 0.00 0.00 36.38 33.57 1m8b s VAL 6 CO -0.11 0.48 1.71 -0.62 -0.31 0.00 0.00 175.10 176.24 1m8b s ASP 7 N 0.16 6.56 0.00 4.85 2.15 -1.26 -4.79 116.67 124.34 1m8b s ASP 7 Ca 0.06 2.54 0.03 0.00 0.43 0.00 0.00 52.55 55.62 1m8b s ASP 7 Cb -0.12 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1m8b s ASP 7 CO -0.00 -0.92 0.83 0.00 -0.17 0.00 0.00 175.17 174.91 1m8b n SER 9 N 0.06 4.52 -0.00 0.00 3.41 -1.26 -4.23 113.62 116.12 1m8b n SER 9 Ca -0.09 -2.51 -0.01 0.00 -0.26 0.00 0.00 58.87 56.00 1m8b n SER 9 Cb 0.68 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.79 3.57 -0.92 4.33 0.00 -1.26 -5.07 120.64 122.08 1m8b n GLU 10 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.03 1m8b n GLU 10 Cb 0.86 -1.03 0.07 0.00 0.00 0.00 0.00 31.44 31.35 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 -2.07 -2.23 -2.47 -1.84 4.02 -1.26 -4.60 117.16 106.71 1m8b n TYR 11 Ca -0.02 0.37 -0.42 0.00 -0.01 0.00 0.00 57.90 57.83 1m8b n TYR 11 Cb 0.53 -1.46 -0.03 0.00 -0.02 0.00 0.00 39.34 38.36 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 -2.41 4.48 0.36 -0.72 0.04 -1.26 -4.99 135.00 130.49 1m8b s PRO 12 Ca 0.42 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 1m8b s PRO 12 Cb -0.03 -3.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1m8b s PRO 12 CO 0.70 -0.17 0.85 0.15 0.04 0.00 0.00 177.00 178.58 1m8b s LYS 13 N 0.74 4.19 -0.72 4.56 1.02 -1.26 -5.01 119.74 123.25 1m8b s LYS 13 Ca 0.56 0.96 0.04 0.00 0.02 0.00 0.00 55.97 57.55 1m8b s LYS 13 Cb -0.29 -2.40 0.25 0.00 -0.52 0.00 0.00 37.83 34.87 1m8b s LYS 13 CO 0.30 0.11 0.82 -0.25 -0.92 0.00 0.00 175.35 175.41 1m8b n ASP 14 N -0.28 4.07 0.00 2.83 9.92 -1.26 -4.81 116.55 127.01 1m8b n ASP 14 Ca 0.04 -3.40 0.00 0.00 -0.53 0.00 0.00 54.79 50.90 1m8b n ASP 14 Cb 0.53 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m8b n ALA 15 N 1.12 0.00 -1.04 2.24 0.00 -1.26 -5.17 120.51 116.40 1m8b n ALA 15 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.75 1m8b n ALA 15 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.67 2.61 -0.28 0.00 -4.23 -1.26 -5.01 115.64 102.80 1m8b s THR 17 Ca 0.00 -1.51 0.27 0.00 -1.18 0.00 0.00 61.69 59.26 1m8b s THR 17 Cb 0.00 -3.01 0.35 0.00 1.34 0.00 0.00 72.50 71.19 1m8b s THR 17 CO 0.00 -0.03 1.74 0.17 -0.54 0.00 0.00 174.62 175.96 1m8b h LEU 18 N 1.24 0.00 -8.68 4.79 8.10 -2.06 -3.46 115.31 115.24 1m8b h LEU 18 Ca -0.42 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 56.91 1m8b h LEU 18 Cb 1.26 0.00 0.10 0.00 -0.44 0.00 0.00 40.66 41.58 1m8b h LEU 18 CO 0.63 0.00 -0.47 -0.62 -4.11 0.00 0.00 178.44 173.87 1m8b n GLU 19 N -3.04 0.00 -4.07 0.17 4.71 -1.26 -4.92 120.64 112.23 1m8b n GLU 19 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.83 1m8b n GLU 19 Cb 0.45 -1.00 -0.13 0.00 -1.01 0.00 0.00 31.44 29.75 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 -0.90 3.02 -0.31 -0.32 6.14 -1.26 -4.85 117.35 118.87 1m8b s TYR 20 Ca 0.64 -0.54 -0.00 0.00 0.64 0.00 0.00 57.07 57.80 1m8b s TYR 20 Cb -0.92 -2.08 0.13 0.00 0.42 0.00 0.00 41.96 39.51 1m8b s TYR 20 CO 0.54 -0.29 0.28 1.03 0.64 0.00 0.00 175.55 177.75 1m8b s ARG 21 N 1.06 0.36 -0.01 4.97 1.81 0.70 -5.01 118.95 122.83 1m8b s ARG 21 Ca 0.02 -0.39 -0.30 0.00 -1.72 0.00 0.00 55.73 53.34 1m8b s ARG 21 Cb -0.14 -0.78 -0.04 0.00 -0.45 0.00 0.00 34.95 33.53 1m8b s ARG 21 CO 0.01 -1.06 1.20 -1.25 -0.68 0.00 0.00 175.30 173.51 1m8b s PRO 22 N 2.10 4.39 0.34 3.54 0.04 -0.86 -2.49 135.00 142.06 1m8b s PRO 22 Ca 0.11 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.92 1m8b s PRO 22 Cb -0.15 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1m8b s PRO 22 CO -0.27 -0.36 0.26 -0.48 0.04 0.00 0.00 177.00 176.19 1m8b s LEU 23 N 1.75 1.78 -0.01 -3.56 0.05 -0.55 0.19 118.68 118.33 1m8b s LEU 23 Ca 0.57 -1.76 0.02 0.00 0.05 0.00 0.00 54.13 53.01 1m8b s LEU 23 Cb -0.26 0.48 0.00 0.00 -2.05 0.00 0.00 46.19 44.36 1m8b s LEU 23 CO 0.25 -1.05 -0.05 0.00 -0.55 0.00 0.00 176.35 174.95 1m8b s GLY 25 N 0.05 1.77 0.33 0.00 0.00 0.64 -0.74 107.32 109.38 1m8b s GLY 25 Ca -0.00 -1.64 0.26 0.00 0.00 0.00 0.00 44.72 43.34 1m8b s GLY 25 CO -0.00 -1.16 1.78 0.23 0.00 0.00 0.00 173.10 173.95 1m8b h SER 26 N -0.34 0.00 -0.28 1.64 0.87 -0.50 -1.86 113.55 113.09 1m8b h SER 26 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1m8b h SER 26 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1m8b h SER 26 CO 0.44 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.84 1m8b n ASP 27 N -2.49 1.67 -3.12 6.23 5.75 -1.26 -4.87 116.55 118.46 1m8b n ASP 27 Ca 0.02 -2.04 -0.19 0.00 -0.01 0.00 0.00 54.79 52.57 1m8b n ASP 27 Cb 0.29 -0.23 0.07 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.32 -5.19 -4.12 -1.12 5.15 -0.70 -4.99 115.26 104.62 1m8b n ASN 28 Ca 0.10 -0.47 -0.33 0.00 -0.60 0.00 0.00 54.58 53.28 1m8b n ASN 28 Cb 0.28 -4.36 -0.16 0.00 -0.53 0.00 0.00 39.78 35.01 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m8b s LYS 29 N -5.98 2.97 -0.02 1.20 2.20 -1.25 -4.90 119.74 113.97 1m8b s LYS 29 Ca 0.43 -0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 54.98 1m8b s LYS 29 Cb -0.19 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1m8b s LYS 29 CO 0.62 -0.21 0.71 0.99 -0.36 0.00 0.00 175.35 177.10 1m8b s THR 30 N 1.29 4.92 0.33 3.43 2.01 -1.26 -0.26 115.64 126.09 1m8b s THR 30 Ca 0.05 1.49 0.09 0.00 0.31 0.00 0.00 61.69 63.63 1m8b s THR 30 Cb -0.13 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1m8b s THR 30 CO -0.13 0.32 0.01 -0.31 -0.69 0.00 0.00 174.62 173.81 1m8b s TYR 31 N 0.35 2.56 -0.02 4.92 2.02 0.11 -4.95 117.35 122.34 1m8b s TYR 31 Ca 0.37 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1m8b s TYR 31 Cb -0.19 -1.44 -0.30 0.00 -0.40 0.00 0.00 41.96 39.63 1m8b s TYR 31 CO 0.20 0.49 0.79 0.78 -1.57 0.00 0.00 175.55 176.24 1m8b h GLY 32 N 1.82 0.38 -2.81 0.71 0.00 -1.86 -1.46 103.07 99.85 1m8b h GLY 32 Ca -0.43 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 45.83 1m8b h GLY 32 CO 0.66 0.85 -0.36 0.21 0.00 0.00 0.00 176.54 177.89 1m8b s ASN 33 N -7.15 0.08 0.49 0.19 2.47 -1.04 -0.22 114.94 109.76 1m8b s ASN 33 Ca -0.12 -0.88 0.33 0.00 0.42 0.00 0.00 52.86 52.61 1m8b s ASN 33 Cb 0.06 0.41 1.60 0.00 -1.45 0.00 0.00 41.25 41.87 1m8b s ASN 33 CO 0.86 -0.85 1.99 0.50 -3.72 0.00 0.00 177.10 175.88 1m8b h LYS 34 N 2.61 0.00 0.21 0.43 3.64 -1.93 -1.98 116.57 119.54 1m8b h LYS 34 Ca -0.32 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1m8b h LYS 34 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1m8b h LYS 34 CO 0.51 0.00 -0.10 0.00 -2.27 0.00 0.00 179.45 177.59 1m8b h ASN 36 N -0.78 0.46 -0.30 0.00 2.35 -1.84 0.12 115.58 115.59 1m8b h ASN 36 Ca -0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1m8b h ASN 36 Cb 0.51 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1m8b h ASN 36 CO 0.05 0.32 0.15 0.15 -1.65 0.00 0.00 177.43 176.44 1m8b h PHE 37 N 0.59 0.44 -0.30 1.19 3.57 -1.38 -1.36 116.94 119.68 1m8b h PHE 37 Ca 0.23 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1m8b h PHE 37 Cb 0.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1m8b h PHE 37 CO -0.08 0.39 0.06 0.00 -2.23 0.00 0.00 178.31 176.45 1m8b h ASN 39 N 0.17 0.07 0.95 0.00 -0.73 -0.48 0.48 115.58 116.05 1m8b h ASN 39 Ca 0.14 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.15 1m8b h ASN 39 Cb 0.14 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1m8b h ASN 39 CO -0.18 0.04 -0.77 0.00 -0.37 0.00 0.00 177.43 176.15 1m8b h ALA 40 N 1.81 0.62 0.40 1.57 0.00 0.46 -2.62 119.26 121.49 1m8b h ALA 40 Ca 0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1m8b h ALA 40 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1m8b h ALA 40 CO -0.01 0.96 -0.19 0.28 0.00 0.00 0.00 179.25 180.29 1m8b h VAL 41 N 0.00 0.41 -0.76 0.00 2.07 0.32 0.22 116.25 118.52 1m8b h VAL 41 Ca -0.01 -0.62 0.15 0.00 0.82 0.00 0.00 66.70 67.04 1m8b h VAL 41 Cb 1.46 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1m8b h VAL 41 CO 0.10 0.08 0.51 -0.37 0.02 0.00 0.00 177.57 177.91 1m8b h VAL 42 N -0.97 0.79 0.00 2.57 -1.51 -1.14 1.18 116.25 117.17 1m8b h VAL 42 Ca -0.05 -0.14 -0.06 0.00 -1.23 0.00 0.00 66.70 65.21 1m8b h VAL 42 Cb 0.54 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1m8b h VAL 42 CO 0.09 0.07 -0.30 -0.08 -1.23 0.00 0.00 177.57 176.13 1m8b h GLU 43 N 0.41 0.00 -1.11 5.19 4.81 -1.35 -3.13 114.58 119.41 1m8b h GLU 43 Ca 0.37 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 59.18 1m8b h GLU 43 Cb 0.86 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.02 1m8b h GLU 43 CO -0.12 0.30 0.54 0.43 -0.73 0.00 0.00 179.01 179.43 1m8b n SER 44 N -3.23 4.89 -0.67 1.04 7.64 0.23 -4.79 113.62 118.74 1m8b n SER 44 Ca 0.02 -3.26 -0.09 0.00 1.01 0.00 0.00 58.87 56.55 1m8b n SER 44 Cb 0.60 -0.85 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1m8b n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1m8b n ASN 45 N -0.53 -5.55 -1.81 6.43 3.02 -1.08 -1.07 115.26 114.66 1m8b n ASN 45 Ca 0.44 0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 55.06 1m8b n ASN 45 Cb 1.07 -3.82 -0.00 0.00 -0.61 0.00 0.00 39.78 36.42 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8b n GLY 46 N 0.09 -0.24 0.00 7.41 0.00 0.34 -4.88 105.19 107.92 1m8b n GLY 46 Ca -0.09 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1m8b n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m8b n THR 47 N -4.04 0.00 -2.35 2.61 -1.04 -0.24 -4.95 114.28 104.28 1m8b n THR 47 Ca -0.16 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1m8b n THR 47 Cb 0.63 0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 69.82 1m8b n THR 47 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1m8b s LEU 48 N -3.21 4.34 0.18 -4.42 2.96 -1.25 -5.02 118.68 112.25 1m8b s LEU 48 Ca 0.02 2.04 0.08 0.00 -0.22 0.00 0.00 54.13 56.05 1m8b s LEU 48 Cb 0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1m8b s LEU 48 CO 0.67 -0.58 -0.07 0.42 -1.32 0.00 0.00 176.35 175.47 1m8b s THR 49 N 1.66 3.35 -0.17 3.68 -4.23 -1.26 -4.84 115.64 113.83 1m8b s THR 49 Ca 0.60 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.21 1m8b s THR 49 Cb -0.30 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1m8b s THR 49 CO 0.27 -0.12 1.18 -0.22 -0.54 0.00 0.00 174.62 175.19 1m8b s LEU 50 N -2.90 4.18 -0.04 4.79 2.96 -1.26 0.25 118.68 126.66 1m8b s LEU 50 Ca 0.26 1.62 -0.23 0.00 -0.22 0.00 0.00 54.13 55.55 1m8b s LEU 50 Cb -0.09 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.83 1m8b s LEU 50 CO 0.16 -0.70 1.06 0.28 -1.32 0.00 0.00 176.35 175.83 1m8b h SER 51 N 7.85 0.29 -1.50 3.68 0.02 -1.10 -3.44 113.55 119.36 1m8b h SER 51 Ca -0.26 -0.76 0.21 0.00 -0.84 0.00 0.00 61.79 60.14 1m8b h SER 51 Cb 1.10 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1m8b h SER 51 CO 0.96 1.01 0.56 0.00 -1.14 0.00 0.00 176.83 178.21 1m8b n HIS 52 N -4.45 -0.41 -3.91 3.45 1.44 -0.90 -5.00 115.22 105.44 1m8b n HIS 52 Ca -0.10 -0.51 -0.21 0.00 -2.01 0.00 0.00 57.72 54.89 1m8b n HIS 52 Cb 0.53 0.24 -0.03 0.00 0.12 0.00 0.00 29.99 30.84 1m8b n HIS 52 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1m8b s PHE 53 N -2.56 3.13 0.20 -1.40 0.40 -1.26 -1.84 117.98 114.65 1m8b s PHE 53 Ca 0.19 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1m8b s PHE 53 Cb -0.01 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1m8b s PHE 53 CO 0.00 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.67 1m8b n GLY 54 N -1.35 -3.01 3.38 4.36 0.00 0.49 -4.76 105.19 104.31 1m8b n GLY 54 Ca -0.05 -1.25 -0.47 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.40 0.00 0.00 1.61 5.02 -1.24 -3.99 118.16 117.16 1m8b n LYS 55 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1m8b n LYS 55 Cb 0.20 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88