#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpn n TYR 2 N 0.00 -3.74 -3.06 0.66 9.36 -1.26 -5.05 117.16 114.07 1tpn n TYR 2 Ca 0.00 -0.13 -0.33 0.00 3.32 0.00 0.00 57.90 60.76 1tpn n TYR 2 Cb 0.00 -0.08 -0.06 0.00 -0.63 0.00 0.00 39.34 38.56 1tpn n TYR 2 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1tpn s GLN 3 N -3.02 4.12 0.00 2.98 -1.52 -1.26 -4.96 119.66 115.99 1tpn s GLN 3 Ca 0.07 0.82 0.02 0.00 -1.95 0.00 0.00 55.36 54.32 1tpn s GLN 3 Cb -0.00 -2.48 0.02 0.00 -0.22 0.00 0.00 33.01 30.33 1tpn s GLN 3 CO 0.05 0.17 0.59 1.33 -0.25 0.00 0.00 175.29 177.18 1tpn n VAL 4 N -0.18 0.04 -3.20 1.09 0.24 -1.26 -4.35 118.33 110.71 1tpn n VAL 4 Ca 0.03 -0.52 -0.19 0.00 -2.04 0.00 0.00 64.34 61.62 1tpn n VAL 4 Cb 0.53 1.02 0.01 0.00 -1.47 0.00 0.00 33.84 33.93 1tpn n VAL 4 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tpn s ILE 5 N -0.23 2.64 -0.15 1.34 -4.36 -1.26 -0.05 121.20 119.13 1tpn s ILE 5 Ca 0.03 -1.11 -0.04 0.00 -0.26 0.00 0.00 60.65 59.27 1tpn s ILE 5 Cb 0.02 -2.74 0.06 0.00 1.25 0.00 0.00 42.46 41.05 1tpn s ILE 5 CO 0.03 0.00 0.14 0.00 0.24 0.00 0.00 174.94 175.35 1tpn s ARG 7 N 2.24 3.61 -0.29 0.00 3.52 -1.26 -1.66 118.95 125.11 1tpn s ARG 7 Ca 0.04 0.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.59 1tpn s ARG 7 Cb -0.15 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 1tpn s ARG 7 CO -0.09 -0.91 0.34 0.34 -0.81 0.00 0.00 175.30 174.17 1tpn s ASP 8 N 1.92 6.20 0.00 -2.12 -1.08 -0.92 -4.94 116.67 115.74 1tpn s ASP 8 Ca 0.29 0.13 0.29 0.00 -0.52 0.00 0.00 52.55 52.74 1tpn s ASP 8 Cb -0.13 -2.19 1.24 0.00 -1.46 0.00 0.00 42.92 40.37 1tpn s ASP 8 CO 0.18 -0.20 1.86 -1.84 0.52 0.00 0.00 175.17 175.69 1tpn n GLU 9 N 5.30 0.89 0.06 4.34 0.28 -1.26 -0.09 120.64 130.17 1tpn n GLU 9 Ca -0.09 -0.34 0.13 0.00 -0.16 0.00 0.00 57.16 56.69 1tpn n GLU 9 Cb 0.51 -1.49 0.37 0.00 1.43 0.00 0.00 31.44 32.26 1tpn n GLU 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1tpn n LYS 10 N -0.75 0.18 0.00 3.44 3.00 -1.26 -4.11 118.16 118.66 1tpn n LYS 10 Ca 0.16 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1tpn n LYS 10 Cb 0.28 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.63 1tpn n LYS 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1tpn n THR 11 N -1.97 0.00 -2.78 3.15 5.66 -1.23 -5.03 114.28 112.08 1tpn n THR 11 Ca 0.05 -0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.98 1tpn n THR 11 Cb 0.40 0.22 0.03 0.00 -1.55 0.00 0.00 70.33 69.43 1tpn n THR 11 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1tpn n GLN 12 N -0.06 -2.41 -4.34 1.09 7.27 0.87 -5.04 117.38 114.76 1tpn n GLN 12 Ca 0.00 0.26 -0.19 0.00 0.07 0.00 0.00 57.00 57.13 1tpn n GLN 12 Cb 0.00 -3.55 -0.15 0.00 2.41 0.00 0.00 30.24 28.95 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1tpn s MET 13 N -5.25 0.84 0.04 3.69 1.75 -0.96 -4.96 119.30 114.45 1tpn s MET 13 Ca 0.15 -0.28 -0.06 0.00 -1.25 0.00 0.00 55.69 54.26 1tpn s MET 13 Cb -0.07 -0.80 -0.05 0.00 2.84 0.00 0.00 34.83 36.75 1tpn s MET 13 CO 0.23 0.11 0.29 0.42 -0.65 0.00 0.00 175.02 175.42 1tpn s ILE 14 N 0.14 5.27 0.46 10.11 1.01 -1.26 -2.17 121.20 134.77 1tpn s ILE 14 Ca -0.02 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1tpn s ILE 14 Cb -0.07 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1tpn s ILE 14 CO 0.00 0.28 0.07 -1.22 0.00 0.00 0.00 174.94 174.07 1tpn n TYR 15 N 0.84 0.71 -2.10 3.97 4.02 -0.66 -4.92 117.16 119.02 1tpn n TYR 15 Ca -0.09 -2.54 0.00 0.00 -0.01 0.00 0.00 57.90 55.26 1tpn n TYR 15 Cb 0.52 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 1tpn n TYR 15 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1tpn n GLN 16 N -1.10 1.38 -2.28 -0.72 6.02 -1.26 -1.82 117.38 117.60 1tpn n GLN 16 Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 1tpn n GLN 16 Cb 0.63 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.87 1tpn n GLN 16 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1tpn s GLN 17 N -0.60 3.83 -0.01 -1.09 0.74 0.93 -3.75 119.66 119.71 1tpn s GLN 17 Ca 0.00 0.85 0.00 0.00 0.05 0.00 0.00 55.36 56.26 1tpn s GLN 17 Cb 0.00 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1tpn s GLN 17 CO 0.00 -0.34 0.00 0.72 -0.55 0.00 0.00 175.29 175.12 1tpn n HIS 18 N -1.91 -1.34 -3.54 1.67 8.25 -0.20 -4.84 115.22 113.30 1tpn n HIS 18 Ca 0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 1tpn n HIS 18 Cb 0.54 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.55 1tpn n HIS 18 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1tpn s GLN 19 N -3.05 4.17 -0.15 -0.41 0.74 -1.25 -4.77 119.66 114.94 1tpn s GLN 19 Ca 0.00 -0.01 -0.17 0.00 0.05 0.00 0.00 55.36 55.24 1tpn s GLN 19 Cb 0.00 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1tpn s GLN 19 CO 0.00 0.09 0.41 -1.54 -0.55 0.00 0.00 175.29 173.71 1tpn s SER 20 N 0.84 6.57 -0.11 6.67 1.04 -1.26 -2.57 113.70 124.88 1tpn s SER 20 Ca 0.14 0.67 -0.03 0.00 0.48 0.00 0.00 55.95 57.21 1tpn s SER 20 Cb -0.14 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.78 1tpn s SER 20 CO 0.05 0.01 0.05 -1.66 0.98 0.00 0.00 173.24 172.67 1tpn s TRP 21 N 0.74 0.37 0.32 5.02 -2.14 -0.48 -4.99 118.94 117.77 1tpn s TRP 21 Ca 0.22 -0.16 -0.27 0.00 2.66 0.00 0.00 56.10 58.56 1tpn s TRP 21 Cb -0.14 -0.69 -0.10 0.00 -3.10 0.00 0.00 33.47 29.44 1tpn s TRP 21 CO 0.08 -0.37 0.96 -0.51 -2.66 0.00 0.00 176.95 174.45 1tpn s LEU 22 N 2.07 4.38 0.15 -4.66 2.01 -1.26 -2.83 118.68 118.54 1tpn s LEU 22 Ca 0.03 1.90 0.08 0.00 0.01 0.00 0.00 54.13 56.16 1tpn s LEU 22 Cb -0.14 -3.95 -0.04 0.00 0.01 0.00 0.00 46.19 42.07 1tpn s LEU 22 CO -0.06 -0.08 -0.09 -0.13 1.01 0.00 0.00 176.35 177.00 1tpn s ARG 23 N -1.93 2.10 1.33 1.70 3.00 0.62 -4.96 118.95 120.82 1tpn s ARG 23 Ca 0.49 -1.16 -0.20 0.00 0.00 0.00 0.00 55.73 54.86 1tpn s ARG 23 Cb -0.21 -2.23 0.32 0.00 0.00 0.00 0.00 34.95 32.83 1tpn s ARG 23 CO 0.27 0.47 0.74 -2.30 0.00 0.00 0.00 175.30 174.47 1tpn n PRO 24 N 0.31 -3.92 -2.14 3.54 -0.01 -1.26 -1.53 135.00 129.99 1tpn n PRO 24 Ca -0.12 -1.16 -0.27 0.00 -0.01 0.00 0.00 63.50 61.94 1tpn n PRO 24 Cb 0.54 -1.84 0.06 0.00 -0.01 0.00 0.00 33.50 32.25 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 1tpn s VAL 25 N -2.14 2.56 -0.11 -1.45 -7.23 -1.24 -3.91 120.40 106.88 1tpn s VAL 25 Ca 0.60 -0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.60 1tpn s VAL 25 Cb -0.12 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 1tpn s VAL 25 CO 0.53 -0.14 -0.15 0.18 -0.31 0.00 0.00 175.10 175.21 1tpn n LEU 26 N -2.96 1.30 0.00 1.32 4.77 -1.26 -4.92 117.00 115.25 1tpn n LEU 26 Ca 0.07 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1tpn n LEU 26 Cb 0.60 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1tpn n LEU 26 CO 0.54 -0.45 0.00 0.54 -1.33 0.00 0.00 177.39 176.69 1tpn n ARG 27 N -3.92 1.39 0.00 3.23 1.74 -1.26 -5.07 116.66 112.76 1tpn n ARG 27 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1tpn n ARG 27 Cb 0.23 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1tpn n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1tpn n SER 28 N 0.00 0.00 -0.52 0.55 7.64 -1.26 -5.04 113.62 114.99 1tpn n SER 28 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tpn n SER 28 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tpn n SER 28 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1tpn n ASN 29 N 0.00 -0.00 -5.00 6.43 2.85 -1.26 -5.03 115.26 113.24 1tpn n ASN 29 Ca 0.00 -1.44 -0.18 0.00 -0.11 0.00 0.00 54.58 52.85 1tpn n ASN 29 Cb 0.00 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1tpn s ARG 30 N 0.00 2.96 -0.02 1.20 0.52 -1.26 -4.48 118.95 117.87 1tpn s ARG 30 Ca 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1tpn s ARG 30 Cb 0.00 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1tpn s ARG 30 CO -0.00 -0.13 -0.07 0.14 0.02 0.00 0.00 175.30 175.26 1tpn s VAL 31 N -2.29 3.64 -0.42 3.52 -7.23 -1.24 -3.69 120.40 112.69 1tpn s VAL 31 Ca 0.50 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.77 1tpn s VAL 31 Cb -0.10 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1tpn s VAL 31 CO 0.32 0.47 0.74 -1.61 -0.31 0.00 0.00 175.10 174.71 1tpn s GLU 32 N -1.20 3.48 -0.60 4.82 2.02 -0.58 -3.65 118.70 123.00 1tpn s GLU 32 Ca 0.15 -0.06 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 1tpn s GLU 32 Cb -0.11 -3.90 0.07 0.00 0.10 0.00 0.00 34.13 30.29 1tpn s GLU 32 CO 0.05 -1.00 0.86 -0.47 0.02 0.00 0.00 175.26 174.72 1tpn s TYR 33 N 3.08 2.82 -0.27 1.61 6.14 -0.01 -0.27 117.35 130.45 1tpn s TYR 33 Ca 0.28 -0.49 -0.02 0.00 0.64 0.00 0.00 57.07 57.48 1tpn s TYR 33 Cb -0.13 -4.06 0.03 0.00 0.42 0.00 0.00 41.96 38.22 1tpn s TYR 33 CO 0.20 -1.41 -0.04 0.00 0.64 0.00 0.00 175.55 174.94 1tpn s TRP 35 N 1.30 2.15 -0.34 0.00 -2.14 0.39 -1.38 118.94 118.92 1tpn s TRP 35 Ca -0.02 -0.39 -0.22 0.00 2.66 0.00 0.00 56.10 58.14 1tpn s TRP 35 Cb -0.18 -1.01 0.00 0.00 -3.10 0.00 0.00 33.47 29.18 1tpn s TRP 35 CO -0.03 0.53 0.70 0.00 -2.66 0.00 0.00 176.95 175.49 1tpn h ASN 37 N 8.34 0.00 0.00 0.00 -0.73 -1.91 -0.52 115.58 120.76 1tpn h ASN 37 Ca -0.26 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 57.82 1tpn h ASN 37 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1tpn h ASN 37 CO 0.86 0.05 0.00 -1.54 -0.37 0.00 0.00 177.43 176.42 1tpn n SER 38 N -2.48 0.00 0.00 1.15 3.41 -1.26 -4.84 113.62 109.60 1tpn n SER 38 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1tpn n SER 38 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1tpn n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpn n GLY 39 N -0.00 -0.72 0.41 5.00 0.00 -1.26 -4.34 105.19 104.29 1tpn n GLY 39 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1tpn n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tpn n ARG 40 N 0.00 1.10 -2.74 1.61 1.85 -1.26 -4.73 116.66 112.49 1tpn n ARG 40 Ca 0.00 -1.33 -0.01 0.00 -1.00 0.00 0.00 57.85 55.51 1tpn n ARG 40 Cb 0.00 -1.19 -0.01 0.00 -1.05 0.00 0.00 32.46 30.21 1tpn n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tpn n ALA 41 N 0.45 -3.39 -2.30 2.89 0.00 -1.26 -4.96 120.51 111.94 1tpn n ALA 41 Ca 0.07 0.75 -0.35 0.00 0.00 0.00 0.00 53.44 53.90 1tpn n ALA 41 Cb 0.28 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1tpn n ALA 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tpn s GLN 42 N -1.43 4.02 0.21 0.00 -0.44 0.64 -4.84 119.66 117.82 1tpn s GLN 42 Ca -0.04 0.56 -0.13 0.00 -2.50 0.00 0.00 55.36 53.25 1tpn s GLN 42 Cb 0.00 -2.87 0.00 0.00 -1.64 0.00 0.00 33.01 28.50 1tpn s GLN 42 CO 0.72 0.43 0.43 0.00 0.50 0.00 0.00 175.29 177.37 1tpn s HIS 44 N -3.97 0.47 -0.05 0.00 -3.43 0.60 -4.98 115.29 103.93 1tpn s HIS 44 Ca 0.18 -1.00 -0.01 0.00 -0.80 0.00 0.00 55.06 53.44 1tpn s HIS 44 Cb 0.01 0.51 0.03 0.00 -1.43 0.00 0.00 32.58 31.69 1tpn s HIS 44 CO 0.04 -1.43 0.01 0.45 -2.00 0.00 0.00 174.74 171.80 1tpn s SER 45 N -3.14 1.18 -0.07 7.38 0.15 -1.26 -0.83 113.70 117.12 1tpn s SER 45 Ca 0.21 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.83 1tpn s SER 45 Cb -0.03 -0.34 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1tpn s SER 45 CO 0.15 -0.17 -0.10 0.54 1.20 0.00 0.00 173.24 174.87 1tpn s VAL 46 N 1.68 0.97 1.26 4.45 0.11 -1.24 -5.01 120.40 122.61 1tpn s VAL 46 Ca -0.00 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 58.51 1tpn s VAL 46 Cb -0.13 -0.92 0.28 0.00 -1.53 0.00 0.00 36.38 34.08 1tpn s VAL 46 CO -0.03 0.33 0.69 -2.65 -3.33 0.00 0.00 175.10 170.10 1tpn n PRO 47 N 4.06 -3.19 0.13 1.54 -0.01 -1.26 -3.72 135.00 132.54 1tpn n PRO 47 Ca -0.22 -0.93 0.00 0.00 -0.01 0.00 0.00 63.50 62.35 1tpn n PRO 47 Cb 0.51 -1.90 0.04 0.00 -0.01 0.00 0.00 33.50 32.14 1tpn n PRO 47 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 175.50 175.25 1tpn h VAL 48 N -2.94 1.12 -0.27 -1.45 3.04 -1.96 -3.43 116.25 110.37 1tpn h VAL 48 Ca -0.49 -2.42 -0.07 0.00 -1.01 0.00 0.00 66.70 62.70 1tpn h VAL 48 Cb 1.26 2.45 -0.02 0.00 -2.01 0.00 0.00 31.29 32.97 1tpn h VAL 48 CO 0.35 0.61 0.42 0.29 -1.01 0.00 0.00 177.57 178.23 1tpn n LYS 49 N -3.33 0.44 0.00 4.17 5.02 -1.26 -5.17 118.16 118.02 1tpn n LYS 49 Ca 0.01 -0.69 0.12 0.00 -2.02 0.00 0.00 58.31 55.72 1tpn n LYS 49 Cb 0.75 -3.15 0.69 0.00 -0.02 0.00 0.00 35.03 33.30 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75