#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 -1.18 -3.29 7.33 4.02 -1.26 -4.86 117.16 117.92 1tpn n TYR 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1tpn n TYR 2 Cb 0.00 0.06 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1tpn n TYR 2 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1tpn n GLN 3 N -0.40 -1.68 -0.16 -0.72 6.02 -1.26 -4.91 117.38 114.26 1tpn n GLN 3 Ca 0.00 1.40 0.08 0.00 -0.01 0.00 0.00 57.00 58.47 1tpn n GLN 3 Cb 0.00 -4.22 0.16 0.00 1.02 0.00 0.00 30.24 27.20 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1tpn n VAL 4 N -1.50 1.86 -3.69 5.09 0.24 -1.26 -4.84 118.33 114.24 1tpn n VAL 4 Ca -0.08 -1.98 -0.20 0.00 -2.04 0.00 0.00 64.34 60.03 1tpn n VAL 4 Cb 0.58 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.59 3.67 -0.15 1.34 -4.36 -1.26 0.02 121.20 117.87 1tpn s ILE 5 Ca 0.31 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.42 1tpn s ILE 5 Cb 0.26 -3.25 0.05 0.00 1.25 0.00 0.00 42.46 40.77 1tpn s ILE 5 CO 0.05 -0.16 0.05 0.00 0.24 0.00 0.00 174.94 175.11 1tpn s ARG 7 N 1.99 3.83 -0.33 0.00 3.52 -1.26 -1.29 118.95 125.41 1tpn s ARG 7 Ca 0.02 0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 1tpn s ARG 7 Cb -0.15 -3.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1tpn s ARG 7 CO -0.07 -0.71 0.34 0.34 -0.81 0.00 0.00 175.30 174.38 1tpn s ASP 8 N 1.72 6.16 0.00 -2.12 -1.08 -0.82 -4.93 116.67 115.60 1tpn s ASP 8 Ca 0.28 -0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.44 1tpn s ASP 8 Cb -0.14 -2.19 1.31 0.00 -1.46 0.00 0.00 42.92 40.44 1tpn s ASP 8 CO 0.14 -0.28 1.91 -1.84 0.52 0.00 0.00 175.17 175.62 1tpn n GLU 9 N 5.32 0.72 0.04 4.34 0.28 -1.26 -0.02 120.64 130.06 1tpn n GLU 9 Ca -0.10 -0.21 0.13 0.00 -0.16 0.00 0.00 57.16 56.82 1tpn n GLU 9 Cb 0.50 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 32.24 1tpn n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1tpn n LYS 10 N -0.96 0.15 0.00 3.44 4.01 -1.26 -4.10 118.16 119.44 1tpn n LYS 10 Ca 0.15 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1tpn n LYS 10 Cb 0.26 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1tpn n LYS 10 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1tpn n THR 11 N -1.87 0.00 -2.82 -0.18 5.66 -1.22 -5.03 114.28 108.83 1tpn n THR 11 Ca 0.05 -0.01 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 1tpn n THR 11 Cb 0.39 0.29 0.03 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.14 -2.75 -4.41 1.09 0.00 0.97 -5.04 117.38 107.11 1tpn n GLN 12 Ca 0.00 0.30 -0.21 0.00 -0.00 0.00 0.00 57.00 57.09 1tpn n GLN 12 Cb 0.00 -3.70 -0.16 0.00 0.00 0.00 0.00 30.24 26.38 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1tpn s MET 13 N -5.28 1.08 -0.01 3.69 1.75 -0.93 -4.96 119.30 114.63 1tpn s MET 13 Ca 0.17 -0.31 -0.07 0.00 -1.25 0.00 0.00 55.69 54.23 1tpn s MET 13 Cb -0.07 -0.99 -0.05 0.00 2.84 0.00 0.00 34.83 36.56 1tpn s MET 13 CO 0.26 0.08 0.26 0.42 -0.65 0.00 0.00 175.02 175.39 1tpn s ILE 14 N 0.34 5.31 0.42 10.11 1.01 -1.26 -1.95 121.20 135.19 1tpn s ILE 14 Ca -0.06 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1tpn s ILE 14 Cb -0.10 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1tpn s ILE 14 CO 0.01 0.43 0.08 -0.31 0.00 0.00 0.00 174.94 175.15 1tpn s TYR 15 N -1.23 1.88 0.21 3.97 2.02 -0.41 -4.91 117.35 118.87 1tpn s TYR 15 Ca 0.25 -1.11 -0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1tpn s TYR 15 Cb -0.13 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.15 1tpn s TYR 15 CO 0.14 -0.08 0.29 1.04 -1.57 0.00 0.00 175.55 175.37 1tpn n GLN 16 N -0.95 0.34 -2.61 -0.62 6.02 -1.26 -0.55 117.38 117.76 1tpn n GLN 16 Ca -0.08 -0.73 -0.38 0.00 -0.01 0.00 0.00 57.00 55.80 1tpn n GLN 16 Cb 0.66 -0.20 -0.05 0.00 1.02 0.00 0.00 30.24 31.67 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 -3.20 4.42 -1.73 -1.09 0.74 0.10 -3.14 119.66 115.76 1tpn s GLN 17 Ca 0.19 1.52 0.00 0.00 0.05 0.00 0.00 55.36 57.12 1tpn s GLN 17 Cb -0.01 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.30 1tpn s GLN 17 CO 0.12 0.09 0.00 0.72 -0.55 0.00 0.00 175.29 175.67 1tpn n HIS 18 N 0.47 -0.38 -3.40 1.67 8.25 0.12 -4.91 115.22 117.04 1tpn n HIS 18 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1tpn n HIS 18 Cb 0.48 -3.09 -0.07 0.00 1.12 0.00 0.00 29.99 28.44 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 -3.73 4.19 -0.14 -0.41 0.74 -1.19 -4.79 119.66 114.34 1tpn s GLN 19 Ca 0.00 0.20 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 1tpn s GLN 19 Cb 0.00 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1tpn s GLN 19 CO 0.00 -0.01 0.35 -1.54 -0.55 0.00 0.00 175.29 173.54 1tpn s SER 20 N 0.99 6.52 -0.09 6.67 1.04 -1.26 -2.32 113.70 125.25 1tpn s SER 20 Ca 0.19 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 57.21 1tpn s SER 20 Cb -0.15 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.80 1tpn s SER 20 CO 0.08 0.08 0.07 -1.66 0.98 0.00 0.00 173.24 172.79 1tpn s TRP 21 N 0.43 0.15 0.51 5.02 -2.14 -0.12 -5.00 118.94 117.80 1tpn s TRP 21 Ca 0.20 0.02 -0.17 0.00 2.66 0.00 0.00 56.10 58.80 1tpn s TRP 21 Cb -0.14 -0.58 -0.08 0.00 -3.10 0.00 0.00 33.47 29.58 1tpn s TRP 21 CO 0.06 -0.32 1.00 -0.51 -2.66 0.00 0.00 176.95 174.52 1tpn s LEU 22 N 2.14 3.66 0.16 -4.66 2.01 -1.26 -3.47 118.68 117.26 1tpn s LEU 22 Ca 0.04 1.65 0.08 0.00 0.01 0.00 0.00 54.13 55.90 1tpn s LEU 22 Cb -0.14 -4.52 -0.04 0.00 0.01 0.00 0.00 46.19 41.50 1tpn s LEU 22 CO -0.05 -0.66 -0.17 -0.13 1.01 0.00 0.00 176.35 176.34 1tpn s ARG 23 N -3.91 1.22 1.04 1.70 0.52 0.75 -4.99 118.95 115.28 1tpn s ARG 23 Ca 0.61 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 1tpn s ARG 23 Cb -0.11 -1.22 0.20 0.00 0.52 0.00 0.00 34.95 34.34 1tpn s ARG 23 CO 0.29 0.24 1.00 -0.35 0.02 0.00 0.00 175.30 176.50 1tpn n PRO 24 N 0.30 -1.33 -2.14 3.54 -0.04 -1.26 -2.47 135.00 131.60 1tpn n PRO 24 Ca -0.13 -0.34 -0.27 0.00 -0.04 0.00 0.00 63.50 62.72 1tpn n PRO 24 Cb 0.57 -2.23 0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tpn s VAL 25 N -2.51 2.20 0.00 0.52 -7.23 -1.25 -4.34 120.40 107.79 1tpn s VAL 25 Ca 0.67 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 1tpn s VAL 25 Cb -0.23 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1tpn s VAL 25 CO 0.62 0.00 0.27 0.00 -0.31 0.00 0.00 175.10 175.68 1tpn n LEU 26 N -3.04 0.63 0.00 1.32 -0.00 -1.26 -4.87 117.00 109.78 1tpn n LEU 26 Ca 0.09 0.51 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1tpn n LEU 26 Cb 0.60 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1tpn n LEU 26 CO 0.52 -0.34 0.00 0.54 -0.00 0.00 0.00 177.39 178.11 1tpn n ARG 27 N -1.53 2.69 0.00 1.47 1.74 -1.26 -5.05 116.66 114.71 1tpn n ARG 27 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1tpn n ARG 27 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 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 -0.06 0.55 7.64 -1.26 -5.03 113.62 115.46 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 -4.74 6.43 5.15 -1.26 -5.02 115.26 115.83 1tpn n ASN 29 Ca 0.00 -1.06 -0.41 0.00 -0.60 0.00 0.00 54.58 52.51 1tpn n ASN 29 Cb 0.00 -0.01 -0.04 0.00 -0.53 0.00 0.00 39.78 39.20 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1tpn s ARG 30 N 0.00 4.56 -0.16 1.20 0.52 -1.26 -4.48 118.95 119.32 1tpn s ARG 30 Ca 0.00 1.75 -0.08 0.00 -0.52 0.00 0.00 55.73 56.88 1tpn s ARG 30 Cb 0.00 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1tpn s ARG 30 CO 0.00 0.01 0.10 0.14 0.02 0.00 0.00 175.30 175.57 1tpn s VAL 31 N -0.06 5.18 -0.30 3.52 -7.23 -1.26 -3.76 120.40 116.49 1tpn s VAL 31 Ca 0.51 0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.57 1tpn s VAL 31 Cb -0.30 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.33 1tpn s VAL 31 CO 0.35 0.52 0.65 -1.61 -0.31 0.00 0.00 175.10 174.70 1tpn s GLU 32 N -0.20 3.91 -0.30 4.82 8.01 -1.03 -3.70 118.70 130.21 1tpn s GLU 32 Ca 0.09 0.34 -0.05 0.00 0.01 0.00 0.00 54.97 55.37 1tpn s GLU 32 Cb -0.12 -3.73 0.03 0.00 -4.31 0.00 0.00 34.13 26.00 1tpn s GLU 32 CO 0.01 -0.59 0.06 -0.47 0.01 0.00 0.00 175.26 174.28 1tpn s TYR 33 N 2.66 3.18 0.05 1.61 5.04 -1.03 -0.18 117.35 128.69 1tpn s TYR 33 Ca 0.26 -1.33 0.02 0.00 -2.44 0.00 0.00 57.07 53.58 1tpn s TYR 33 Cb -0.15 -2.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.92 1tpn s TYR 33 CO 0.12 -0.68 -0.08 0.00 -1.34 0.00 0.00 175.55 173.57 1tpn s TRP 35 N -1.80 -0.07 -0.41 0.00 -2.14 0.89 -0.94 118.94 114.47 1tpn s TRP 35 Ca -0.05 0.02 -0.29 0.00 2.66 0.00 0.00 56.10 58.44 1tpn s TRP 35 Cb -0.07 0.04 0.02 0.00 -3.10 0.00 0.00 33.47 30.35 1tpn s TRP 35 CO -0.00 -0.39 1.25 0.00 -2.66 0.00 0.00 176.95 175.14 1tpn n ASN 37 N 8.03 0.62 0.00 0.00 5.15 -1.26 0.11 115.26 127.91 1tpn n ASN 37 Ca 0.14 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1tpn n ASN 37 Cb 0.48 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1tpn n SER 38 N -2.01 0.00 0.00 1.20 7.64 -1.26 -4.82 113.62 114.37 1tpn n SER 38 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1tpn n SER 38 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1tpn n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpn n GLY 39 N -0.10 -0.13 0.05 0.23 0.00 -1.26 -4.76 105.19 99.22 1tpn n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.46 -2.79 1.61 1.85 -1.26 -4.84 116.66 113.68 1tpn n ARG 40 Ca 0.00 -1.41 -0.03 0.00 -1.00 0.00 0.00 57.85 55.41 1tpn n ARG 40 Cb 0.00 -1.02 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 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 -0.36 -2.73 -2.57 2.89 0.00 -1.26 -4.85 120.51 111.64 1tpn n ALA 41 Ca 0.01 1.46 -0.43 0.00 0.00 0.00 0.00 53.44 54.48 1tpn n ALA 41 Cb 0.23 -3.05 -0.05 0.00 0.00 0.00 0.00 19.45 16.58 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 -0.50 3.36 0.12 0.00 -0.44 0.27 -4.88 119.66 117.58 1tpn s GLN 42 Ca -0.17 -0.21 0.10 0.00 -2.50 0.00 0.00 55.36 52.57 1tpn s GLN 42 Cb 0.01 -3.97 -0.04 0.00 -1.64 0.00 0.00 33.01 27.38 1tpn s GLN 42 CO 0.50 -1.16 -0.22 0.00 0.50 0.00 0.00 175.29 174.91 1tpn s HIS 44 N -1.08 0.72 -0.05 0.00 -3.43 -0.88 -4.99 115.29 105.58 1tpn s HIS 44 Ca 0.16 -1.10 -0.02 0.00 -0.80 0.00 0.00 55.06 53.30 1tpn s HIS 44 Cb -0.10 0.21 0.03 0.00 -1.43 0.00 0.00 32.58 31.29 1tpn s HIS 44 CO 0.08 -1.25 0.07 0.45 -2.00 0.00 0.00 174.74 172.09 1tpn s SER 45 N -3.17 1.13 -0.24 7.38 0.15 -1.26 -2.46 113.70 115.24 1tpn s SER 45 Ca 0.25 0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.00 1tpn s SER 45 Cb -0.02 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1tpn s SER 45 CO 0.17 -0.25 -0.11 -0.69 1.20 0.00 0.00 173.24 173.55 1tpn s VAL 46 N 2.18 2.41 1.38 4.45 1.01 -1.24 -5.03 120.40 125.56 1tpn s VAL 46 Ca 0.05 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1tpn s VAL 46 Cb -0.12 -2.24 0.36 0.00 0.00 0.00 0.00 36.38 34.37 1tpn s VAL 46 CO -0.03 0.20 0.94 -2.16 0.00 0.00 0.00 175.10 174.05 1tpn s PRO 47 N 1.24 -2.62 -0.03 2.72 0.05 -1.26 -4.08 135.00 131.02 1tpn s PRO 47 Ca -0.02 0.35 -0.06 0.00 0.05 0.00 0.00 61.00 61.32 1tpn s PRO 47 Cb -0.17 -1.40 -0.29 0.00 0.05 0.00 0.00 34.50 32.70 1tpn s PRO 47 CO -0.07 -4.72 0.74 -0.24 0.05 0.00 0.00 177.00 172.76 1tpn h VAL 48 N -3.32 1.01 -2.15 -0.36 3.04 -1.97 -3.46 116.25 109.04 1tpn h VAL 48 Ca -0.49 -2.64 -0.60 0.00 -1.01 0.00 0.00 66.70 61.96 1tpn h VAL 48 Cb 1.34 2.73 0.05 0.00 -2.01 0.00 0.00 31.29 33.41 1tpn h VAL 48 CO 0.34 0.83 0.81 1.17 -1.01 0.00 0.00 177.57 179.70 1tpn n LYS 49 N -3.50 2.02 0.00 4.17 3.00 -1.26 -5.19 118.16 117.40 1tpn n LYS 49 Ca -0.21 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1tpn n LYS 49 Cb 1.06 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 33.59 1tpn n LYS 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83