#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 -3.43 0.00 -1.18 0.00 -1.26 -5.08 121.76 110.81 1m8b s ALA 2 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1m8b s ALA 2 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1m8b s ALA 2 CO 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 175.76 174.49 1m8b n ALA 3 N 5.15 0.00 -0.80 0.00 0.00 -1.26 -5.13 120.51 118.47 1m8b n ALA 3 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1m8b n ALA 3 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.00 0.00 0.00 3.14 -1.26 -4.65 118.33 115.56 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 0.00 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 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 -4.38 0.00 -4.93 6.55 3.41 -1.26 -4.78 113.62 108.22 1m8b n SER 5 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1m8b n SER 5 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.00 5.10 -0.34 -3.33 -7.23 -1.26 -5.04 120.40 106.31 1m8b s VAL 6 Ca 0.00 -0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 1m8b s VAL 6 Cb 0.00 -3.80 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1m8b s VAL 6 CO 0.00 -0.41 1.17 -0.62 -0.31 0.00 0.00 175.10 174.93 1m8b s ASP 7 N -3.59 6.79 0.00 4.85 -1.08 -1.26 -4.79 116.67 117.59 1m8b s ASP 7 Ca 0.41 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1m8b s ASP 7 Cb -0.10 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1m8b s ASP 7 CO 0.33 -1.01 0.54 0.00 0.52 0.00 0.00 175.17 175.54 1m8b n SER 9 N -0.12 7.82 0.00 0.00 7.64 -1.26 -2.89 113.62 124.80 1m8b n SER 9 Ca 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1m8b n SER 9 Cb 0.15 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 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 3.90 0.00 -0.96 1.43 0.00 -1.26 -5.15 120.64 118.60 1m8b n GLU 10 Ca 0.72 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.56 1m8b n GLU 10 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.69 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 -0.80 -3.66 -2.54 -1.84 4.02 -1.14 -4.63 117.16 106.57 1m8b n TYR 11 Ca 0.00 0.16 -0.36 0.00 -0.01 0.00 0.00 57.90 57.69 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 -1.36 4.03 0.06 -0.72 0.04 -1.26 -5.07 135.00 130.73 1m8b s PRO 12 Ca 0.41 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1m8b s PRO 12 Cb -0.28 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 1m8b s PRO 12 CO 0.66 -0.25 0.27 0.15 0.04 0.00 0.00 177.00 177.87 1m8b s LYS 13 N -2.75 3.53 -0.64 4.56 1.02 -1.26 -5.00 119.74 119.20 1m8b s LYS 13 Ca 0.61 -0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.35 1m8b s LYS 13 Cb -0.20 -3.00 0.28 0.00 -0.52 0.00 0.00 37.83 34.39 1m8b s LYS 13 CO 0.25 0.58 2.23 -3.47 -0.92 0.00 0.00 175.35 174.03 1m8b n ASP 14 N 0.51 7.16 0.00 2.83 2.03 -1.26 -4.88 116.55 122.94 1m8b n ASP 14 Ca -0.06 -3.56 0.00 0.00 0.52 0.00 0.00 54.79 51.68 1m8b n ASP 14 Cb 0.52 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.13 0.00 -3.87 -1.67 0.00 -1.26 -5.19 120.51 108.38 1m8b n ALA 15 Ca 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 1m8b n ALA 15 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.43 5.33 -0.18 0.00 -4.23 -1.26 -4.99 115.64 107.87 1m8b s THR 17 Ca 0.21 -0.21 0.16 0.00 -1.18 0.00 0.00 61.69 60.68 1m8b s THR 17 Cb -0.03 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.25 1m8b s THR 17 CO 0.15 0.15 1.34 -0.07 -0.54 0.00 0.00 174.62 175.66 1m8b h LEU 18 N 3.16 0.00-10.31 4.79 3.38 -2.04 -3.46 115.31 110.83 1m8b h LEU 18 Ca -0.46 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.99 1m8b h LEU 18 Cb 1.17 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.06 1m8b h LEU 18 CO 0.74 0.45 0.31 -1.83 0.09 0.00 0.00 178.44 178.19 1m8b s GLU 19 N -2.99 2.08 -0.22 1.13 1.03 -1.26 -5.03 118.70 113.44 1m8b s GLU 19 Ca 0.03 1.22 -0.04 0.00 0.03 0.00 0.00 54.97 56.21 1m8b s GLU 19 Cb 0.08 -1.87 -0.01 0.00 -0.80 0.00 0.00 34.13 31.52 1m8b s GLU 19 CO 0.75 -1.78 -0.03 -0.47 -1.33 0.00 0.00 175.26 172.40 1m8b s TYR 20 N -2.87 2.98 -0.26 4.83 5.04 -1.26 -4.94 117.35 120.87 1m8b s TYR 20 Ca 0.62 -0.83 -0.02 0.00 -2.44 0.00 0.00 57.07 54.40 1m8b s TYR 20 Cb -0.18 -2.12 0.08 0.00 0.35 0.00 0.00 41.96 40.10 1m8b s TYR 20 CO 0.56 -0.49 0.07 1.03 -1.34 0.00 0.00 175.55 175.38 1m8b s ARG 21 N 1.44 0.64 0.17 4.97 3.00 0.10 -5.03 118.95 124.25 1m8b s ARG 21 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 55.73 54.74 1m8b s ARG 21 Cb -0.14 -1.93 -0.08 0.00 0.00 0.00 0.00 34.95 32.80 1m8b s ARG 21 CO -0.02 -0.85 1.12 -1.25 0.00 0.00 0.00 175.30 174.30 1m8b s PRO 22 N 1.77 4.57 0.27 3.54 0.04 -1.16 -2.05 135.00 141.98 1m8b s PRO 22 Ca 0.05 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.87 1m8b s PRO 22 Cb -0.17 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 1m8b s PRO 22 CO -0.20 0.03 0.06 -0.51 0.04 0.00 0.00 177.00 176.42 1m8b s LEU 23 N -0.30 1.97 -0.11 -3.56 1.02 -0.57 0.19 118.68 117.32 1m8b s LEU 23 Ca 0.50 -1.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.31 1m8b s LEU 23 Cb -0.30 -0.18 0.03 0.00 0.02 0.00 0.00 46.19 45.76 1m8b s LEU 23 CO 0.35 -0.63 -0.04 0.00 0.02 0.00 0.00 176.35 176.05 1m8b s GLY 25 N 1.80 1.67 0.45 0.00 0.00 0.09 -0.14 107.32 111.18 1m8b s GLY 25 Ca 0.04 -0.87 0.24 0.00 0.00 0.00 0.00 44.72 44.13 1m8b s GLY 25 CO -0.07 -0.28 1.88 0.23 0.00 0.00 0.00 173.10 174.86 1m8b h SER 26 N -1.26 0.00 -0.33 1.64 0.87 -0.56 -1.60 113.55 112.31 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 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1m8b h SER 26 CO 0.55 0.23 0.00 -0.90 -0.53 0.00 0.00 176.83 176.18 1m8b n ASP 27 N -3.50 2.94 -2.54 6.23 5.75 -1.26 -4.85 116.55 119.31 1m8b n ASP 27 Ca -0.01 -2.30 -0.18 0.00 -0.01 0.00 0.00 54.79 52.30 1m8b n ASP 27 Cb 0.39 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 40.05 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 0.45 -5.21 -4.46 -1.12 5.15 -0.60 -4.96 115.26 104.50 1m8b n ASN 28 Ca 0.14 -0.28 -0.43 0.00 -0.60 0.00 0.00 54.58 53.41 1m8b n ASN 28 Cb 0.58 -3.98 -0.09 0.00 -0.53 0.00 0.00 39.78 35.77 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 -5.61 3.05 -0.30 1.20 -0.14 -1.25 -4.82 119.74 111.87 1m8b s LYS 29 Ca 0.30 -0.90 -0.25 0.00 -1.36 0.00 0.00 55.97 53.76 1m8b s LYS 29 Cb -0.13 -4.00 0.00 0.00 -1.68 0.00 0.00 37.83 32.02 1m8b s LYS 29 CO 0.37 -0.86 0.86 0.99 -0.76 0.00 0.00 175.35 175.95 1m8b s THR 30 N 1.99 4.74 0.34 2.17 2.01 -1.26 -0.73 115.64 124.90 1m8b s THR 30 Ca 0.09 1.38 0.08 0.00 0.31 0.00 0.00 61.69 63.56 1m8b s THR 30 Cb -0.18 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 1m8b s THR 30 CO 0.12 -0.26 0.22 -0.31 -0.69 0.00 0.00 174.62 173.70 1m8b s TYR 31 N 3.08 2.81 -0.12 4.92 2.02 -0.52 -4.94 117.35 124.60 1m8b s TYR 31 Ca 0.36 -0.34 0.17 0.00 -0.37 0.00 0.00 57.07 56.88 1m8b s TYR 31 Cb -0.14 -1.73 -0.15 0.00 -0.40 0.00 0.00 41.96 39.54 1m8b s TYR 31 CO 0.12 0.25 0.78 0.41 -1.57 0.00 0.00 175.55 175.55 1m8b n GLY 32 N -1.27 -1.17 3.62 0.71 0.00 -1.26 -1.51 105.19 104.30 1m8b n GLY 32 Ca -0.02 -0.13 -0.09 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 -5.77 -0.23 0.42 1.61 0.01 -0.87 0.01 114.94 110.12 1m8b s ASN 33 Ca -0.03 -0.61 0.29 0.00 -0.71 0.00 0.00 52.86 51.80 1m8b s ASN 33 Cb 0.09 0.62 1.43 0.00 0.41 0.00 0.00 41.25 43.79 1m8b s ASN 33 CO 0.81 -1.14 1.88 0.07 -1.51 0.00 0.00 177.10 177.21 1m8b h LYS 34 N 2.16 0.00 0.20 -0.60 2.10 -1.94 -1.63 116.57 116.85 1m8b h LYS 34 Ca -0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 1m8b h LYS 34 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1m8b h LYS 34 CO 0.33 0.00 -0.09 0.00 -2.00 0.00 0.00 179.45 177.69 1m8b h ASN 36 N -0.79 0.24 0.40 0.00 2.35 -1.82 0.40 115.58 116.36 1m8b h ASN 36 Ca -0.03 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1m8b h ASN 36 Cb 0.52 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1m8b h ASN 36 CO 0.04 0.18 -0.27 0.15 -1.65 0.00 0.00 177.43 175.88 1m8b h PHE 37 N 0.28 -0.72 -0.79 1.19 3.04 -1.36 -1.28 116.94 117.30 1m8b h PHE 37 Ca 0.08 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.10 1m8b h PHE 37 Cb -0.02 0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 1m8b h PHE 37 CO -0.06 -0.41 0.51 0.00 -2.02 0.00 0.00 178.31 176.33 1m8b h ASN 39 N 0.80 0.89 0.83 0.00 -0.73 0.60 1.64 115.58 119.62 1m8b h ASN 39 Ca 0.35 0.02 -0.24 0.00 1.87 0.00 0.00 56.30 58.29 1m8b h ASN 39 Cb 0.32 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1m8b h ASN 39 CO -0.13 0.55 -1.14 0.00 -0.37 0.00 0.00 177.43 176.35 1m8b h ALA 40 N 1.52 0.29 0.44 1.57 0.00 0.42 -2.42 119.26 121.08 1m8b h ALA 40 Ca 0.41 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1m8b h ALA 40 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1m8b h ALA 40 CO -0.17 1.18 -0.21 0.28 0.00 0.00 0.00 179.25 180.33 1m8b h VAL 41 N 0.03 0.21 -0.71 0.00 2.07 0.16 0.81 116.25 118.81 1m8b h VAL 41 Ca -0.07 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 66.97 1m8b h VAL 41 Cb 1.86 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1m8b h VAL 41 CO 0.15 0.05 0.47 1.62 0.02 0.00 0.00 177.57 179.88 1m8b h VAL 42 N -1.08 0.87 -0.05 2.57 3.04 0.22 1.46 116.25 123.28 1m8b h VAL 42 Ca -0.06 -0.17 -0.13 0.00 -1.01 0.00 0.00 66.70 65.32 1m8b h VAL 42 Cb 0.53 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 1m8b h VAL 42 CO 0.10 0.09 -0.56 -0.33 -1.01 0.00 0.00 177.57 175.86 1m8b h GLU 43 N 0.50 0.17 -1.47 4.17 5.08 -1.38 -2.98 114.58 118.67 1m8b h GLU 43 Ca 0.34 -0.11 -0.34 0.00 -1.00 0.00 0.00 59.36 58.26 1m8b h GLU 43 Cb 0.63 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 1m8b h GLU 43 CO -0.11 0.68 0.44 0.43 -1.00 0.00 0.00 179.01 179.45 1m8b n SER 44 N -3.89 6.36 -0.92 1.42 7.64 0.94 -4.73 113.62 120.43 1m8b n SER 44 Ca -0.02 -3.09 -0.12 0.00 1.01 0.00 0.00 58.87 56.66 1m8b n SER 44 Cb 0.58 -1.03 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 0.25 -5.65 -1.68 6.43 5.15 -1.13 -0.70 115.26 117.94 1m8b n ASN 45 Ca 0.32 0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 54.44 1m8b n ASN 45 Cb 0.61 -4.24 -0.01 0.00 -0.53 0.00 0.00 39.78 35.61 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 0.20 -0.10 0.10 8.20 0.00 0.46 -4.89 105.19 109.17 1m8b n GLY 46 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 0.91 -3.61 2.61 1.03 -1.01 -3.47 112.91 109.37 1m8b h THR 47 Ca -0.36 -2.67 -0.53 0.00 -0.01 0.00 0.00 66.41 62.84 1m8b h THR 47 Cb 1.24 2.55 0.09 0.00 -1.07 0.00 0.00 68.15 70.96 1m8b h THR 47 CO 0.43 0.71 0.81 -0.22 -0.01 0.00 0.00 175.52 177.23 1m8b s LEU 48 N -6.61 4.35 0.18 0.00 2.96 -1.26 -5.01 118.68 113.30 1m8b s LEU 48 Ca -0.10 2.92 0.11 0.00 -0.22 0.00 0.00 54.13 56.84 1m8b s LEU 48 Cb 0.07 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1m8b s LEU 48 CO 0.82 -0.83 -0.22 0.42 -1.32 0.00 0.00 176.35 175.21 1m8b s THR 49 N -0.51 2.46 -0.26 3.68 -4.23 -1.26 -4.85 115.64 110.67 1m8b s THR 49 Ca 0.58 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 1m8b s THR 49 Cb -0.46 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1m8b s THR 49 CO 0.53 -0.09 1.04 -0.22 -0.54 0.00 0.00 174.62 175.35 1m8b s LEU 50 N -2.61 4.05 0.08 4.79 2.96 -1.26 0.21 118.68 126.89 1m8b s LEU 50 Ca 0.20 1.27 -0.16 0.00 -0.22 0.00 0.00 54.13 55.22 1m8b s LEU 50 Cb -0.08 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 1m8b s LEU 50 CO 0.10 -0.73 1.35 -1.28 -1.32 0.00 0.00 176.35 174.47 1m8b h SER 51 N 7.65 0.71 -5.80 3.68 0.87 -0.70 -3.45 113.55 116.51 1m8b h SER 51 Ca -0.20 -0.54 0.33 0.00 -1.23 0.00 0.00 61.79 60.15 1m8b h SER 51 Cb 1.06 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 1m8b h SER 51 CO 0.99 1.12 0.87 -1.38 -0.53 0.00 0.00 176.83 177.90 1m8b s HIS 52 N -4.09 0.01 0.28 2.24 0.00 -0.84 -4.85 115.29 108.04 1m8b s HIS 52 Ca -0.12 -0.14 0.04 0.00 -3.00 0.00 0.00 55.06 51.84 1m8b s HIS 52 Cb 0.08 0.56 -0.03 0.00 -4.00 0.00 0.00 32.58 29.19 1m8b s HIS 52 CO 0.83 -0.30 0.42 -0.06 -1.00 0.00 0.00 174.74 174.63 1m8b s PHE 53 N -2.13 3.42 0.00 0.38 0.40 -1.26 -1.19 117.98 117.61 1m8b s PHE 53 Ca 0.25 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1m8b s PHE 53 Cb 0.01 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1m8b s PHE 53 CO -0.01 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.62 1m8b n GLY 54 N -1.53 -2.16 3.55 4.36 0.00 0.51 -4.76 105.19 105.16 1m8b n GLY 54 Ca -0.07 -1.28 -0.56 0.00 0.00 0.00 0.00 46.02 44.11 1m8b n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m8b n LYS 55 N -0.71 0.55 0.00 1.61 -0.00 -1.23 -4.00 118.16 114.38 1m8b n LYS 55 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1m8b n LYS 55 Cb 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.26 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40