#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8c n ALA 2 N 0.00 -2.57 -3.61 1.47 0.00 -1.26 -5.04 120.51 109.50 1m8c n ALA 2 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1m8c n ALA 2 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 1m8c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c s ALA 3 N -2.95 -1.74 0.27 0.00 0.00 -1.26 -5.18 121.76 110.90 1m8c s ALA 3 Ca 0.03 2.04 0.02 0.00 0.00 0.00 0.00 51.96 54.04 1m8c s ALA 3 Cb -0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 1m8c s ALA 3 CO 0.76 -0.34 0.09 0.54 0.00 0.00 0.00 175.76 176.81 1m8c s VAL 4 N 0.59 0.64 0.11 0.00 0.11 -1.26 -4.96 120.40 115.63 1m8c s VAL 4 Ca -0.02 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.03 1m8c s VAL 4 Cb -0.05 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 1m8c s VAL 4 CO -0.03 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.50 1m8c n SER 5 N -0.53 -7.84 -4.70 3.54 2.88 -1.26 -4.98 113.62 100.73 1m8c n SER 5 Ca -0.00 1.26 -0.35 0.00 -1.33 0.00 0.00 58.87 58.45 1m8c n SER 5 Cb 0.66 -4.35 -0.09 0.00 -0.75 0.00 0.00 64.21 59.68 1m8c n SER 5 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1m8c s VAL 6 N -0.44 4.90 0.04 2.46 -7.23 -1.26 -5.08 120.40 113.79 1m8c s VAL 6 Ca 0.00 -0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 1m8c s VAL 6 Cb 0.00 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1m8c s VAL 6 CO 0.00 0.51 0.94 -0.62 -0.31 0.00 0.00 175.10 175.62 1m8c s ASP 7 N -0.10 7.38 -0.08 4.85 -1.08 -1.26 -4.92 116.67 121.46 1m8c s ASP 7 Ca 0.07 1.66 0.15 0.00 -0.52 0.00 0.00 52.55 53.92 1m8c s ASP 7 Cb -0.12 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.29 1m8c s ASP 7 CO 0.01 -0.16 1.42 0.00 0.52 0.00 0.00 175.17 176.97 1m8c h SER 9 N 2.69 0.00 0.00 0.00 0.87 -2.01 -3.21 113.55 111.89 1m8c h SER 9 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1m8c h SER 9 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1m8c h SER 9 CO 0.13 0.04 -0.91 -0.62 -0.53 0.00 0.00 176.83 174.93 1m8c n GLU 10 N -3.04 1.31 -3.61 2.24 1.02 -1.26 -4.75 120.64 112.53 1m8c n GLU 10 Ca 0.03 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1m8c n GLU 10 Cb 0.55 -1.31 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 1m8c n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1m8c s TYR 11 N -2.67 1.59 0.69 -0.32 1.51 -1.21 -5.08 117.35 111.86 1m8c s TYR 11 Ca 0.05 -2.23 -0.11 0.00 -1.01 0.00 0.00 57.07 53.77 1m8c s TYR 11 Cb 0.13 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1m8c s TYR 11 CO 0.70 -0.79 1.06 -1.25 -1.11 0.00 0.00 175.55 174.16 1m8c s PRO 12 N 0.43 2.96 0.49 -1.71 0.04 -1.25 -4.72 135.00 131.25 1m8c s PRO 12 Ca 0.20 0.97 0.33 0.00 0.04 0.00 0.00 61.00 62.54 1m8c s PRO 12 Cb -0.20 -1.99 1.70 0.00 0.04 0.00 0.00 34.50 34.06 1m8c s PRO 12 CO -0.03 -1.08 2.01 1.57 0.04 0.00 0.00 177.00 179.51 1m8c h LYS 13 N -0.66 0.00 0.00 4.56 2.10 -1.92 -2.87 116.57 117.78 1m8c h LYS 13 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1m8c h LYS 13 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1m8c h LYS 13 CO 0.57 0.00 -0.08 0.22 -2.00 0.00 0.00 179.45 178.16 1m8c h ASP 14 N 0.00 0.00 0.00 7.07 3.58 -2.01 -3.37 116.42 121.69 1m8c h ASP 14 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1m8c h ASP 14 Cb 0.12 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.17 1m8c h ASP 14 CO 0.00 0.42 3.51 0.00 -2.88 0.00 0.00 179.24 180.30 1m8c n ALA 15 N -2.74 6.62 -3.50 -0.78 0.00 -1.09 -4.65 120.51 114.37 1m8c n ALA 15 Ca -0.01 -3.58 -0.28 0.00 0.00 0.00 0.00 53.44 49.57 1m8c n ALA 15 Cb 0.04 -3.43 -0.11 0.00 0.00 0.00 0.00 19.45 15.95 1m8c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8c n THR 17 N 3.41 0.00 -1.21 0.00 -1.04 -1.26 -4.68 114.28 109.49 1m8c n THR 17 Ca 0.18 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.93 1m8c n THR 17 Cb 0.40 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.82 1m8c n THR 17 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1m8c n LEU 18 N 0.00 7.10 -4.48 -4.42 4.77 -1.26 -4.85 117.00 113.86 1m8c n LEU 18 Ca 0.00 -3.85 -0.43 0.00 -0.03 0.00 0.00 56.01 51.70 1m8c n LEU 18 Cb 0.00 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.57 1m8c n LEU 18 CO 0.00 1.90 0.75 -1.61 -1.33 0.00 0.00 177.39 177.10 1m8c s GLU 19 N 1.37 3.19 -0.30 3.23 8.01 -1.26 -5.01 118.70 127.94 1m8c s GLU 19 Ca 0.68 -0.60 -0.15 0.00 0.01 0.00 0.00 54.97 54.90 1m8c s GLU 19 Cb 0.25 -4.16 -0.03 0.00 -4.31 0.00 0.00 34.13 25.88 1m8c s GLU 19 CO -0.04 -1.69 0.37 -0.47 0.01 0.00 0.00 175.26 173.44 1m8c s TYR 20 N 4.04 3.23 -0.23 1.61 5.04 -1.26 -4.68 117.35 125.10 1m8c s TYR 20 Ca 0.25 0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1m8c s TYR 20 Cb -0.15 -2.62 0.11 0.00 0.35 0.00 0.00 41.96 39.66 1m8c s TYR 20 CO 0.14 -0.30 0.28 1.03 -1.34 0.00 0.00 175.55 175.36 1m8c s ARG 21 N 2.07 0.26 0.18 4.97 3.00 0.14 -4.95 118.95 124.62 1m8c s ARG 21 Ca 0.14 0.28 -0.30 0.00 0.00 0.00 0.00 55.73 55.85 1m8c s ARG 21 Cb -0.16 -0.90 -0.08 0.00 0.00 0.00 0.00 34.95 33.82 1m8c s ARG 21 CO 0.11 -0.70 1.12 -1.25 0.00 0.00 0.00 175.30 174.58 1m8c s PRO 22 N 2.41 4.58 0.21 3.54 0.04 -1.25 0.62 135.00 145.14 1m8c s PRO 22 Ca 0.09 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1m8c s PRO 22 Cb -0.15 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1m8c s PRO 22 CO -0.16 0.05 0.17 -0.51 0.04 0.00 0.00 177.00 176.59 1m8c s LEU 23 N -0.37 1.07 -0.00 -3.56 1.02 -0.59 -0.30 118.68 115.96 1m8c s LEU 23 Ca 0.50 -1.35 0.04 0.00 0.02 0.00 0.00 54.13 53.34 1m8c s LEU 23 Cb -0.30 0.53 -0.01 0.00 0.02 0.00 0.00 46.19 46.43 1m8c s LEU 23 CO 0.35 -0.88 -0.13 0.00 0.02 0.00 0.00 176.35 175.72 1m8c s GLY 25 N -0.45 1.46 0.53 0.00 0.00 -0.51 0.11 107.32 108.45 1m8c s GLY 25 Ca 0.04 -1.43 0.18 0.00 0.00 0.00 0.00 44.72 43.52 1m8c s GLY 25 CO -0.00 -1.42 2.15 0.23 0.00 0.00 0.00 173.10 174.05 1m8c h SER 26 N 1.30 0.00 0.52 1.64 0.87 -1.55 0.56 113.55 116.89 1m8c h SER 26 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1m8c h SER 26 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1m8c h SER 26 CO 0.59 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.99 1m8c n ASP 27 N -4.47 0.00 -0.31 6.23 5.75 -1.26 -4.85 116.55 117.63 1m8c n ASP 27 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1m8c n ASP 27 Cb 0.13 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1m8c n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8c n ASN 28 N -1.30 -1.43 -4.90 -1.12 2.85 0.20 -5.06 115.26 104.50 1m8c n ASN 28 Ca 0.12 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.29 1m8c n ASN 28 Cb 0.21 -0.40 -0.04 0.00 1.24 0.00 0.00 39.78 40.79 1m8c n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1m8c s LYS 29 N -3.87 3.68 -0.39 1.20 2.20 -1.22 -4.82 119.74 116.52 1m8c s LYS 29 Ca 0.00 0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1m8c s LYS 29 Cb 0.00 -2.66 0.09 0.00 -1.51 0.00 0.00 37.83 33.75 1m8c s LYS 29 CO 0.00 0.25 0.17 0.99 -0.36 0.00 0.00 175.35 176.41 1m8c s THR 30 N -1.99 3.49 0.35 3.43 2.01 -1.26 -1.42 115.64 120.24 1m8c s THR 30 Ca 0.45 -1.72 -0.06 0.00 0.31 0.00 0.00 61.69 60.67 1m8c s THR 30 Cb -0.11 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1m8c s THR 30 CO 0.27 -0.51 0.63 -0.31 -0.69 0.00 0.00 174.62 174.02 1m8c s TYR 31 N 1.25 3.49 -0.95 4.92 2.02 0.21 -4.93 117.35 123.35 1m8c s TYR 31 Ca 0.04 0.73 0.08 0.00 -0.37 0.00 0.00 57.07 57.55 1m8c s TYR 31 Cb -0.22 -2.19 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1m8c s TYR 31 CO -0.02 0.04 0.70 0.41 -1.57 0.00 0.00 175.55 175.12 1m8c n GLY 32 N -1.28 -0.49 3.59 0.71 0.00 -1.25 -1.54 105.19 104.92 1m8c n GLY 32 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1m8c n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m8c s ASN 33 N -0.84 -0.16 0.36 1.61 4.22 0.20 0.24 114.94 120.57 1m8c s ASN 33 Ca 0.09 0.01 0.13 0.00 -2.14 0.00 0.00 52.86 50.95 1m8c s ASN 33 Cb 0.07 0.16 0.67 0.00 1.28 0.00 0.00 41.25 43.43 1m8c s ASN 33 CO 0.13 -0.26 1.78 0.11 -2.04 0.00 0.00 177.10 176.83 1m8c h LYS 34 N 2.02 0.00 -0.61 3.55 6.56 -1.86 -1.27 116.57 124.96 1m8c h LYS 34 Ca -0.10 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.46 1m8c h LYS 34 Cb 1.17 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.80 1m8c h LYS 34 CO 0.24 0.41 0.25 0.00 -2.06 0.00 0.00 179.45 178.29 1m8c h ASN 36 N 0.85 0.76 0.04 0.00 -0.73 -1.85 -0.04 115.58 114.61 1m8c h ASN 36 Ca 0.21 -0.35 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 1m8c h ASN 36 Cb 0.19 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.57 1m8c h ASN 36 CO -0.02 1.07 -0.02 0.15 -0.37 0.00 0.00 177.43 178.24 1m8c h PHE 37 N 0.58 -0.05 0.00 0.67 3.57 -0.64 0.37 116.94 121.43 1m8c h PHE 37 Ca 0.05 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1m8c h PHE 37 Cb 0.95 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1m8c h PHE 37 CO 0.05 0.05 -0.29 0.00 -2.23 0.00 0.00 178.31 175.89 1m8c h ASN 39 N 0.00 0.39 0.35 0.00 -0.73 -0.31 0.91 115.58 116.18 1m8c h ASN 39 Ca -0.00 -0.44 -0.16 0.00 1.87 0.00 0.00 56.30 57.58 1m8c h ASN 39 Cb 0.60 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1m8c h ASN 39 CO 0.04 0.74 -0.64 0.00 -0.37 0.00 0.00 177.43 177.19 1m8c h ALA 40 N 0.66 0.77 -0.48 1.57 0.00 0.10 -2.77 119.26 119.12 1m8c h ALA 40 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1m8c h ALA 40 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1m8c h ALA 40 CO 0.03 0.75 0.07 0.28 0.00 0.00 0.00 179.25 180.38 1m8c h VAL 41 N 0.20 1.25 -0.59 0.00 2.07 -0.07 -0.84 116.25 118.26 1m8c h VAL 41 Ca -0.01 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1m8c h VAL 41 Cb 1.17 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1m8c h VAL 41 CO 0.10 0.33 0.39 1.62 0.02 0.00 0.00 177.57 180.03 1m8c h VAL 42 N 0.67 1.14 0.00 2.57 3.04 -0.71 0.39 116.25 123.35 1m8c h VAL 42 Ca 0.14 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1m8c h VAL 42 Cb 0.40 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1m8c h VAL 42 CO 0.01 0.14 0.00 -0.08 -1.01 0.00 0.00 177.57 176.63 1m8c h GLU 43 N 0.79 0.00 -0.57 4.17 4.81 -1.14 -2.67 114.58 119.98 1m8c h GLU 43 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1m8c h GLU 43 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1m8c h GLU 43 CO -0.05 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.10 1m8c n SER 44 N -2.85 3.12 0.00 1.04 3.41 0.48 -4.86 113.62 113.97 1m8c n SER 44 Ca 0.03 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1m8c n SER 44 Cb 0.41 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1m8c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m8c n ASN 45 N 0.78 -3.18 0.00 4.04 4.13 -0.98 -1.49 115.26 118.57 1m8c n ASN 45 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1m8c n ASN 45 Cb 0.56 -1.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.08 1m8c n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m8c n GLY 46 N -1.35 0.71 0.06 7.41 0.00 0.11 -4.98 105.19 107.16 1m8c n GLY 46 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1m8c n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m8c h THR 47 N 0.00 0.61 -1.71 2.61 2.02 -1.43 -3.47 112.91 111.55 1m8c h THR 47 Ca 0.00 -1.48 -0.62 0.00 0.77 0.00 0.00 66.41 65.08 1m8c h THR 47 Cb 0.00 1.18 0.16 0.00 -1.74 0.00 0.00 68.15 67.75 1m8c h THR 47 CO 0.00 0.21 -0.94 -0.11 0.37 0.00 0.00 175.52 175.05 1m8c n LEU 48 N -4.70 -2.82 -4.46 2.58 7.94 -1.26 -4.98 117.00 109.30 1m8c n LEU 48 Ca -0.05 0.81 -0.24 0.00 -1.11 0.00 0.00 56.01 55.42 1m8c n LEU 48 Cb 0.20 -0.89 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 1m8c n LEU 48 CO 0.12 -4.19 -0.20 0.42 -1.11 0.00 0.00 177.39 172.43 1m8c s THR 49 N -1.69 0.58 -0.44 1.96 -4.23 -1.26 -4.93 115.64 105.64 1m8c s THR 49 Ca 0.59 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.97 1m8c s THR 49 Cb -0.63 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1m8c s THR 49 CO 0.63 0.00 0.33 -0.22 -0.54 0.00 0.00 174.62 174.81 1m8c s LEU 50 N -3.54 5.31 0.19 4.79 2.96 -1.26 -1.45 118.68 125.68 1m8c s LEU 50 Ca 0.28 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.86 1m8c s LEU 50 Cb 0.04 -2.12 0.12 0.00 0.50 0.00 0.00 46.19 44.73 1m8c s LEU 50 CO 0.16 -0.55 1.77 0.28 -1.32 0.00 0.00 176.35 176.69 1m8c h SER 51 N 8.62 0.94 -1.68 3.68 0.02 -0.48 -3.41 113.55 121.23 1m8c h SER 51 Ca -0.27 -0.15 0.22 0.00 -0.84 0.00 0.00 61.79 60.76 1m8c h SER 51 Cb 1.11 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 1m8c h SER 51 CO 0.80 0.82 0.61 0.00 -1.14 0.00 0.00 176.83 177.92 1m8c n HIS 52 N -4.41 -0.50 -2.00 3.45 -0.00 -1.04 -4.97 115.22 105.76 1m8c n HIS 52 Ca 0.06 -0.60 -0.14 0.00 -0.00 0.00 0.00 57.72 57.04 1m8c n HIS 52 Cb 0.15 0.28 0.08 0.00 -0.00 0.00 0.00 29.99 30.50 1m8c n HIS 52 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1m8c n PHE 53 N -0.64 -3.54 -3.22 -1.40 3.72 -1.26 -0.43 117.46 110.69 1m8c n PHE 53 Ca 0.02 -0.78 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 1m8c n PHE 53 Cb 0.42 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1m8c n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m8c n GLY 54 N 0.76 -0.25 3.82 1.37 0.00 0.59 -4.18 105.19 107.30 1m8c n GLY 54 Ca 0.09 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1m8c n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m8c s LYS 55 N 0.00 4.03 0.00 1.61 -0.14 -1.26 -1.55 119.74 122.43 1m8c s LYS 55 Ca 0.00 1.13 0.07 0.00 -1.36 0.00 0.00 55.97 55.81 1m8c s LYS 55 Cb 0.00 -2.14 0.40 0.00 -1.68 0.00 0.00 37.83 34.41 1m8c s LYS 55 CO 0.00 -0.21 0.87 0.00 -0.76 0.00 0.00 175.35 175.25