#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pi2 n SER 4 N 0.00 0.50 -4.75 9.48 7.64 -1.26 -4.97 113.62 120.26 1pi2 n SER 4 Ca 0.00 0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.63 1pi2 n SER 4 Cb 0.00 1.07 0.03 0.00 -1.01 0.00 0.00 64.21 64.30 1pi2 n SER 4 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1pi2 s LYS 5 N -3.40 3.13 -0.17 1.43 1.02 -1.26 -3.07 119.74 117.42 1pi2 s LYS 5 Ca -0.03 2.05 -0.21 0.00 0.02 0.00 0.00 55.97 57.81 1pi2 s LYS 5 Cb 0.12 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1pi2 s LYS 5 CO 0.84 -1.14 0.62 -1.25 -0.92 0.00 0.00 175.35 173.50 1pi2 s PRO 6 N -3.02 4.26 0.28 -1.68 0.05 -1.26 -4.88 135.00 128.75 1pi2 s PRO 6 Ca 0.73 0.63 -0.04 0.00 0.05 0.00 0.00 61.00 62.37 1pi2 s PRO 6 Cb -0.36 -3.54 -0.01 0.00 0.05 0.00 0.00 34.50 30.63 1pi2 s PRO 6 CO 0.41 -0.15 0.37 0.00 0.05 0.00 0.00 177.00 177.68 1pi2 h ASP 9 N 7.23 0.22 -3.72 0.00 5.19 -1.93 -3.18 116.42 120.23 1pi2 h ASP 9 Ca -0.27 -0.77 -0.69 0.00 -0.62 0.00 0.00 57.03 54.68 1pi2 h ASP 9 Cb 1.20 -0.07 -0.31 0.00 0.18 0.00 0.00 39.33 40.33 1pi2 h ASP 9 CO 0.15 1.53 -0.66 -0.76 -3.12 0.00 0.00 179.24 176.38 1pi2 s LEU 10 N -7.69 4.13 0.12 1.55 1.43 -1.26 -4.95 118.68 112.02 1pi2 s LEU 10 Ca -0.23 -1.25 0.10 0.00 -1.03 0.00 0.00 54.13 51.73 1pi2 s LEU 10 Cb 0.04 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1pi2 s LEU 10 CO 0.70 -0.30 -0.24 0.00 0.23 0.00 0.00 176.35 176.75 1pi2 s MET 12 N -2.08 0.21 0.07 0.00 0.23 -1.08 -5.01 119.30 111.65 1pi2 s MET 12 Ca 0.15 -0.25 0.03 0.00 -1.03 0.00 0.00 55.69 54.59 1pi2 s MET 12 Cb -0.10 -0.09 -0.03 0.00 -1.53 0.00 0.00 34.83 33.07 1pi2 s MET 12 CO 0.08 0.02 -0.09 0.00 -2.03 0.00 0.00 175.02 172.99 1pi2 s THR 14 N -2.06 4.57 0.00 0.00 -4.23 -1.03 -4.94 115.64 107.96 1pi2 s THR 14 Ca -0.01 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 1pi2 s THR 14 Cb -0.05 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1pi2 s THR 14 CO -0.00 0.10 1.31 0.54 -0.54 0.00 0.00 174.62 176.02 1pi2 n ARG 15 N 0.42 0.96 -3.34 3.99 5.12 -1.26 -4.31 116.66 118.23 1pi2 n ARG 15 Ca -0.00 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.73 1pi2 n ARG 15 Cb 0.52 -1.02 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 1pi2 n ARG 15 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1pi2 s SER 16 N 1.36 5.66 -0.16 0.55 1.04 -1.26 -5.08 113.70 115.81 1pi2 s SER 16 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1pi2 s SER 16 Cb 0.00 -0.90 0.03 0.00 0.10 0.00 0.00 66.02 65.25 1pi2 s SER 16 CO 0.00 -0.58 -0.13 -0.32 0.98 0.00 0.00 173.24 173.20 1pi2 s MET 17 N -4.21 2.17 0.72 4.02 1.75 -1.26 -2.93 119.30 119.55 1pi2 s MET 17 Ca 0.49 -0.60 -0.13 0.00 -1.25 0.00 0.00 55.69 54.20 1pi2 s MET 17 Cb -0.08 -2.14 0.03 0.00 2.84 0.00 0.00 34.83 35.48 1pi2 s MET 17 CO 0.31 -0.28 1.11 -1.25 -0.65 0.00 0.00 175.02 174.26 1pi2 s PRO 18 N 1.49 2.47 0.72 4.11 0.04 -1.26 -5.15 135.00 137.41 1pi2 s PRO 18 Ca 0.04 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1pi2 s PRO 18 Cb -0.14 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1pi2 s PRO 18 CO -0.10 -1.51 1.07 -1.25 0.04 0.00 0.00 177.00 175.26 1pi2 s PRO 19 N -4.38 2.71 -0.24 0.56 0.04 -1.15 -5.03 135.00 127.51 1pi2 s PRO 19 Ca 0.66 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1pi2 s PRO 19 Cb -0.20 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.44 1pi2 s PRO 19 CO 0.48 -1.28 -0.07 -0.65 0.04 0.00 0.00 177.00 175.51 1pi2 s GLN 20 N -4.92 1.76 0.15 4.56 -1.52 -1.26 -4.13 119.66 114.29 1pi2 s GLN 20 Ca 0.60 -1.05 0.10 0.00 -1.95 0.00 0.00 55.36 53.05 1pi2 s GLN 20 Cb -0.15 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 29.95 1pi2 s GLN 20 CO 0.54 -0.59 -0.24 0.00 -0.25 0.00 0.00 175.29 174.76 1pi2 n SER 22 N 0.69 -0.50 0.00 0.00 3.41 -0.84 -1.67 113.62 114.70 1pi2 n SER 22 Ca -0.16 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1pi2 n SER 22 Cb 0.54 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1pi2 n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pi2 n GLU 24 N 0.00 0.31 -3.26 0.00 0.28 -1.26 -4.84 120.64 111.88 1pi2 n GLU 24 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1pi2 n GLU 24 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1pi2 n GLU 24 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1pi2 s ASP 25 N -0.69 6.74 0.03 -1.84 -1.08 -1.26 -3.98 116.67 114.59 1pi2 s ASP 25 Ca 0.00 0.88 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1pi2 s ASP 25 Cb 0.00 -2.31 -0.03 0.00 -1.46 0.00 0.00 42.92 39.12 1pi2 s ASP 25 CO 0.00 -0.03 -0.04 -0.13 0.52 0.00 0.00 175.17 175.48 1pi2 s ARG 26 N 0.73 0.44 -0.18 4.34 1.81 -0.01 -4.98 118.95 121.10 1pi2 s ARG 26 Ca 0.28 -0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 53.37 1pi2 s ARG 26 Cb -0.16 0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 1pi2 s ARG 26 CO 0.12 -0.04 0.26 0.96 -0.68 0.00 0.00 175.30 175.92 1pi2 s ILE 27 N -1.99 5.32 0.00 1.52 -4.36 -1.26 0.59 121.20 121.02 1pi2 s ILE 27 Ca -0.09 0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.76 1pi2 s ILE 27 Cb -0.06 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1pi2 s ILE 27 CO -0.02 0.38 0.00 0.59 0.24 0.00 0.00 174.94 176.12 1pi2 n ASN 28 N 3.76 0.00 -3.78 4.36 3.02 0.37 -4.91 115.26 118.08 1pi2 n ASN 28 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.31 1pi2 n ASN 28 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 1pi2 n ASN 28 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pi2 s SER 29 N 0.00 -0.09 0.54 6.41 0.01 -1.26 -4.99 113.70 114.31 1pi2 s SER 29 Ca 0.00 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.18 1pi2 s SER 29 Cb 0.00 0.32 0.07 0.00 0.21 0.00 0.00 66.02 66.62 1pi2 s SER 29 CO 0.00 -0.55 0.74 0.00 0.41 0.00 0.00 173.24 173.84 1pi2 s HIS 31 N -2.60 2.40 0.41 0.00 -3.43 -1.26 -4.91 115.29 105.90 1pi2 s HIS 31 Ca 0.60 1.57 0.17 0.00 -0.80 0.00 0.00 55.06 56.60 1pi2 s HIS 31 Cb -0.07 -3.30 1.06 0.00 -1.43 0.00 0.00 32.58 28.84 1pi2 s HIS 31 CO 0.38 -2.04 1.86 0.66 -2.00 0.00 0.00 174.74 173.60 1pi2 h SER 32 N 0.03 0.42 1.52 7.38 4.64 -1.88 -0.55 113.55 125.12 1pi2 h SER 32 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1pi2 h SER 32 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1pi2 h SER 32 CO 0.53 0.17 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.82 1pi2 h ASP 33 N 0.43 0.00 -2.94 4.97 1.82 -1.91 -3.46 116.42 115.32 1pi2 h ASP 33 Ca 0.47 -0.02 -0.52 0.00 -0.39 0.00 0.00 57.03 56.56 1pi2 h ASP 33 Cb 1.13 0.00 0.07 0.00 0.68 0.00 0.00 39.33 41.21 1pi2 h ASP 33 CO -0.18 0.01 0.97 0.00 -1.61 0.00 0.00 179.24 178.42 1pi2 n LYS 35 N 3.23 0.68 -3.62 0.00 4.01 -1.26 -4.86 118.16 116.33 1pi2 n LYS 35 Ca 0.13 -0.05 -0.26 0.00 -0.51 0.00 0.00 58.31 57.61 1pi2 n LYS 35 Cb 0.36 -1.54 -0.17 0.00 -0.51 0.00 0.00 35.03 33.17 1pi2 n LYS 35 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1pi2 s SER 36 N -5.20 2.34 -0.14 4.39 0.15 -1.26 -5.07 113.70 108.91 1pi2 s SER 36 Ca -0.09 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 1pi2 s SER 36 Cb 0.09 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1pi2 s SER 36 CO 0.85 -0.35 -0.12 0.00 1.20 0.00 0.00 173.24 174.83 1pi2 s MET 38 N 0.46 3.07 0.24 0.00 0.00 -0.08 -4.98 119.30 118.00 1pi2 s MET 38 Ca -0.09 -0.86 0.07 0.00 0.00 0.00 0.00 55.69 54.81 1pi2 s MET 38 Cb -0.16 -2.35 -0.05 0.00 0.00 0.00 0.00 34.83 32.27 1pi2 s MET 38 CO 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 175.02 175.10 1pi2 s THR 40 N -3.00 4.60 -1.17 0.00 -4.23 -1.16 -4.98 115.64 105.70 1pi2 s THR 40 Ca 0.25 1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 61.93 1pi2 s THR 40 Cb 0.01 -3.97 0.06 0.00 1.34 0.00 0.00 72.50 69.94 1pi2 s THR 40 CO 0.09 0.51 1.63 -0.13 -0.54 0.00 0.00 174.62 176.17 1pi2 s ARG 41 N -1.23 3.76 0.15 3.99 1.81 -1.26 -4.54 118.95 121.64 1pi2 s ARG 41 Ca 0.33 -1.58 -0.25 0.00 -1.72 0.00 0.00 55.73 52.51 1pi2 s ARG 41 Cb -0.20 -5.45 0.06 0.00 -0.45 0.00 0.00 34.95 28.91 1pi2 s ARG 41 CO 0.22 -2.30 0.92 -1.54 -0.68 0.00 0.00 175.30 171.92 1pi2 s SER 42 N 4.66 -0.22 -0.20 0.23 1.04 -1.26 -5.08 113.70 112.88 1pi2 s SER 42 Ca 0.51 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1pi2 s SER 42 Cb 0.02 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.69 1pi2 s SER 42 CO 0.00 -0.93 -0.08 -1.10 0.98 0.00 0.00 173.24 172.12 1pi2 s GLN 43 N -3.35 1.78 0.25 4.02 -1.52 -1.26 -2.28 119.66 117.29 1pi2 s GLN 43 Ca 0.11 -0.77 -0.22 0.00 -1.95 0.00 0.00 55.36 52.53 1pi2 s GLN 43 Cb -0.02 -2.33 -0.09 0.00 -0.22 0.00 0.00 33.01 30.36 1pi2 s GLN 43 CO 0.01 -0.46 0.80 -1.25 -0.25 0.00 0.00 175.29 174.14 1pi2 s PRO 44 N 1.47 4.37 0.35 2.91 0.04 -1.26 -5.15 135.00 137.73 1pi2 s PRO 44 Ca -0.01 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.79 1pi2 s PRO 44 Cb -0.16 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1pi2 s PRO 44 CO -0.08 0.37 1.06 0.20 0.04 0.00 0.00 177.00 178.59 1pi2 s GLY 45 N -1.62 2.86 -0.29 0.56 0.00 -0.97 -4.89 107.32 102.97 1pi2 s GLY 45 Ca 0.45 0.75 -0.08 0.00 0.00 0.00 0.00 44.72 45.84 1pi2 s GLY 45 CO 0.22 1.24 0.10 1.20 0.00 0.00 0.00 173.10 175.86 1pi2 s GLN 46 N -2.10 3.28 0.17 2.90 -0.21 -1.26 0.14 119.66 122.57 1pi2 s GLN 46 Ca 0.53 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 55.23 1pi2 s GLN 46 Cb -0.25 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 1pi2 s GLN 46 CO 0.32 -0.39 0.03 0.00 -2.12 0.00 0.00 175.29 173.13 1pi2 s ARG 48 N -2.94 0.27 -0.09 0.00 0.52 -0.49 -0.83 118.95 115.41 1pi2 s ARG 48 Ca 0.28 -0.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.88 1pi2 s ARG 48 Cb -0.10 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 1pi2 s ARG 48 CO 0.20 -0.05 0.42 0.00 0.02 0.00 0.00 175.30 175.89 1pi2 n LEU 50 N 3.04 1.16 -4.54 0.00 4.77 -1.06 -4.40 117.00 115.97 1pi2 n LEU 50 Ca -0.10 -0.55 -0.36 0.00 -0.03 0.00 0.00 56.01 54.96 1pi2 n LEU 50 Cb 0.52 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1pi2 n LEU 50 CO 0.41 0.26 0.30 0.47 -1.33 0.00 0.00 177.39 177.50 1pi2 n ASP 51 N -1.17 -0.31 -3.97 -1.43 8.00 -1.26 -5.03 116.55 111.38 1pi2 n ASP 51 Ca 0.05 0.65 -0.20 0.00 0.71 0.00 0.00 54.79 56.01 1pi2 n ASP 51 Cb 0.34 -1.31 -0.16 0.00 -0.02 0.00 0.00 41.12 39.98 1pi2 n ASP 51 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1pi2 s THR 52 N -1.82 0.68 0.00 -3.53 -1.32 -1.26 -4.57 115.64 103.82 1pi2 s THR 52 Ca 0.70 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 1pi2 s THR 52 Cb -0.36 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1pi2 s THR 52 CO 0.53 0.22 0.00 0.59 -2.21 0.00 0.00 174.62 173.76 1pi2 n ASN 53 N 3.43 0.84 -0.33 8.08 3.02 -0.67 -4.91 115.26 124.72 1pi2 n ASN 53 Ca -0.19 -0.99 0.07 0.00 -0.03 0.00 0.00 54.58 53.44 1pi2 n ASN 53 Cb 0.54 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.85 1pi2 n ASN 53 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1pi2 n ASP 54 N -2.13 2.73 -3.82 6.41 5.75 -1.26 -1.01 116.55 123.23 1pi2 n ASP 54 Ca 0.00 -2.71 -0.09 0.00 -0.01 0.00 0.00 54.79 51.97 1pi2 n ASP 54 Cb 0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 39.68 1pi2 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1pi2 s PHE 55 N -2.25 0.10 -0.03 2.11 -0.71 -1.26 -4.58 117.98 111.36 1pi2 s PHE 55 Ca 0.27 -0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 55.65 1pi2 s PHE 55 Cb 0.22 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1pi2 s PHE 55 CO 0.05 -0.63 0.09 0.00 -1.34 0.00 0.00 175.22 173.39 1pi2 s TYR 57 N -1.15 2.00 0.41 0.00 2.02 -1.26 -5.06 117.35 114.31 1pi2 s TYR 57 Ca 0.21 0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 57.50 1pi2 s TYR 57 Cb -0.12 -3.56 -0.06 0.00 -0.40 0.00 0.00 41.96 37.82 1pi2 s TYR 57 CO 0.12 -2.65 0.75 0.15 -1.57 0.00 0.00 175.55 172.35 1pi2 s LYS 58 N -5.45 3.70 0.57 -0.62 -0.14 -1.26 -4.49 119.74 112.05 1pi2 s LYS 58 Ca 0.67 0.35 -0.19 0.00 -1.36 0.00 0.00 55.97 55.44 1pi2 s LYS 58 Cb -0.11 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.55 1pi2 s LYS 58 CO 0.53 -0.05 0.78 -2.30 -0.76 0.00 0.00 175.35 173.55 1pi2 n PRO 59 N -1.51 0.76 -2.23 -1.68 -0.02 -1.20 -0.89 135.00 128.23 1pi2 n PRO 59 Ca 0.01 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1pi2 n PRO 59 Cb 0.54 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1pi2 n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pi2 s LYS 61 N 2.79 3.24 0.01 0.00 0.00 -1.26 -3.97 119.74 120.54 1pi2 s LYS 61 Ca 0.64 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 56.10 1pi2 s LYS 61 Cb -0.30 -4.12 0.00 0.00 0.00 0.00 0.00 37.83 33.41 1pi2 s LYS 61 CO 0.25 -1.59 0.00 -1.13 0.00 0.00 0.00 175.35 172.88 1pi2 n SER 62 N 7.49 -0.11 -0.75 0.03 3.41 -1.26 -5.08 113.62 117.35 1pi2 n SER 62 Ca -0.01 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1pi2 n SER 62 Cb 0.47 0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.89 1pi2 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42