#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 1.48 -3.48 1.43 4.01 -1.26 -4.95 117.16 114.39 1tpn n TYR 2 Ca 0.00 0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 57.73 1tpn n TYR 2 Cb 0.00 -2.19 -0.06 0.00 -0.31 0.00 0.00 39.34 36.79 1tpn n TYR 2 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1tpn s GLN 3 N -3.49 3.06 0.00 -0.72 -0.21 -1.26 -4.60 119.66 112.43 1tpn s GLN 3 Ca 0.79 -2.30 0.00 0.00 0.02 0.00 0.00 55.36 53.87 1tpn s GLN 3 Cb -0.36 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.52 1tpn s GLN 3 CO 0.45 -1.24 0.00 1.33 -2.12 0.00 0.00 175.29 173.70 1tpn n VAL 4 N 4.10 0.00 -2.95 1.09 0.24 -1.26 -4.75 118.33 114.81 1tpn n VAL 4 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1tpn n VAL 4 Cb 0.43 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.84 1tpn n VAL 4 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1tpn n ILE 5 N -0.38 0.00 -3.56 1.34 -5.35 -1.26 -2.19 119.36 107.96 1tpn n ILE 5 Ca 0.00 -1.13 -0.19 0.00 -0.27 0.00 0.00 62.75 61.16 1tpn n ILE 5 Cb 0.00 -0.76 -0.14 0.00 -1.74 0.00 0.00 39.64 37.00 1tpn n ILE 5 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tpn s ARG 7 N 2.29 3.69 -0.25 0.00 3.52 -1.26 -0.96 118.95 125.97 1tpn s ARG 7 Ca 0.05 0.13 -0.10 0.00 -0.13 0.00 0.00 55.73 55.68 1tpn s ARG 7 Cb -0.15 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1tpn s ARG 7 CO -0.10 -0.78 0.14 0.34 -0.81 0.00 0.00 175.30 174.09 1tpn s ASP 8 N 1.81 5.82 0.00 -2.12 -1.08 -0.96 -4.96 116.67 115.18 1tpn s ASP 8 Ca 0.27 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.57 1tpn s ASP 8 Cb -0.14 -2.06 1.07 0.00 -1.46 0.00 0.00 42.92 40.33 1tpn s ASP 8 CO 0.16 0.01 1.75 -1.84 0.52 0.00 0.00 175.17 175.77 1tpn n GLU 9 N 4.64 1.29 0.14 4.34 0.28 -1.26 -0.59 120.64 129.48 1tpn n GLU 9 Ca -0.15 -0.68 0.12 0.00 -0.16 0.00 0.00 57.16 56.29 1tpn n GLU 9 Cb 0.52 -1.49 0.23 0.00 1.43 0.00 0.00 31.44 32.14 1tpn n GLU 9 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1tpn h LYS 10 N 1.66 0.00 0.00 3.44 1.57 -1.95 -3.34 116.57 117.95 1tpn h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tpn h LYS 10 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1tpn h LYS 10 CO 0.00 0.00 -0.48 0.25 -0.57 0.00 0.00 179.45 178.65 1tpn n THR 11 N -2.58 0.00 -2.72 -0.16 -2.24 -1.24 -5.03 114.28 100.32 1tpn n THR 11 Ca 0.04 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1tpn n THR 11 Cb 0.48 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1tpn n THR 11 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1tpn n GLN 12 N -0.80 -1.85 -4.12 -0.78 7.27 0.25 -5.05 117.38 112.29 1tpn n GLN 12 Ca 0.00 0.19 -0.15 0.00 0.07 0.00 0.00 57.00 57.11 1tpn n GLN 12 Cb 0.04 -3.29 -0.14 0.00 2.41 0.00 0.00 30.24 29.25 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 -5.22 0.38 0.02 3.69 1.75 -0.93 -4.98 119.30 114.01 1tpn s MET 13 Ca 0.13 -0.16 -0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1tpn s MET 13 Cb -0.06 -0.37 -0.05 0.00 2.84 0.00 0.00 34.83 37.20 1tpn s MET 13 CO 0.17 0.10 0.26 0.42 -0.65 0.00 0.00 175.02 175.32 1tpn s ILE 14 N -0.10 5.32 0.47 10.11 1.01 -1.26 -2.28 121.20 134.48 1tpn s ILE 14 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1tpn s ILE 14 Cb -0.02 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1tpn s ILE 14 CO -0.00 0.30 0.03 -0.31 0.00 0.00 0.00 174.94 174.96 1tpn s TYR 15 N -1.36 1.92 0.00 3.97 1.51 -0.14 -4.92 117.35 118.34 1tpn s TYR 15 Ca 0.30 -0.99 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1tpn s TYR 15 Cb -0.13 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1tpn s TYR 15 CO 0.18 0.14 0.00 1.04 -1.11 0.00 0.00 175.55 175.80 1tpn n GLN 16 N -1.14 1.16 -2.68 -0.62 6.02 -1.26 -1.02 117.38 117.84 1tpn n GLN 16 Ca -0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.49 1tpn n GLN 16 Cb 0.67 0.00 -0.05 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 -1.26 4.33 -1.50 -1.09 0.74 -0.93 -3.34 119.66 116.62 1tpn s GLN 17 Ca 0.00 1.38 0.00 0.00 0.05 0.00 0.00 55.36 56.79 1tpn s GLN 17 Cb 0.00 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.54 1tpn s GLN 17 CO 0.00 0.03 0.00 0.72 -0.55 0.00 0.00 175.29 175.49 1tpn n HIS 18 N 0.06 -0.45 -3.23 1.67 8.25 0.46 -4.90 115.22 117.08 1tpn n HIS 18 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 1tpn n HIS 18 Cb 0.50 -2.77 -0.07 0.00 1.12 0.00 0.00 29.99 28.77 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 -3.49 4.16 -0.10 -0.41 0.74 -1.21 -4.78 119.66 114.57 1tpn s GLN 19 Ca 0.00 0.42 -0.15 0.00 0.05 0.00 0.00 55.36 55.67 1tpn s GLN 19 Cb 0.00 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1tpn s GLN 19 CO 0.00 -0.21 0.38 -1.54 -0.55 0.00 0.00 175.29 173.37 1tpn s SER 20 N 1.24 6.61 -0.16 6.67 1.04 -1.26 -2.40 113.70 125.44 1tpn s SER 20 Ca 0.24 0.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 1tpn s SER 20 Cb -0.15 -2.23 0.08 0.00 0.10 0.00 0.00 66.02 63.81 1tpn s SER 20 CO 0.09 0.13 0.23 -1.66 0.98 0.00 0.00 173.24 173.02 1tpn s TRP 21 N 0.08 -0.33 0.32 5.02 -2.14 -0.04 -4.98 118.94 116.88 1tpn s TRP 21 Ca 0.21 0.54 -0.26 0.00 2.66 0.00 0.00 56.10 59.25 1tpn s TRP 21 Cb -0.15 -0.23 -0.10 0.00 -3.10 0.00 0.00 33.47 29.90 1tpn s TRP 21 CO 0.08 -0.48 0.96 -0.51 -2.66 0.00 0.00 176.95 174.35 1tpn s LEU 22 N 2.36 4.35 0.16 -4.66 2.01 -1.26 -2.79 118.68 118.84 1tpn s LEU 22 Ca 0.05 1.89 0.08 0.00 0.01 0.00 0.00 54.13 56.15 1tpn s LEU 22 Cb -0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 46.19 42.04 1tpn s LEU 22 CO -0.10 -0.10 -0.05 -0.13 1.01 0.00 0.00 176.35 176.99 1tpn s ARG 23 N -2.00 2.26 1.16 1.70 3.00 0.58 -4.96 118.95 120.69 1tpn s ARG 23 Ca 0.50 -1.12 -0.17 0.00 0.00 0.00 0.00 55.73 54.94 1tpn s ARG 23 Cb -0.20 -2.31 0.21 0.00 0.00 0.00 0.00 34.95 32.66 1tpn s ARG 23 CO 0.26 0.47 0.42 -2.30 0.00 0.00 0.00 175.30 174.14 1tpn n PRO 24 N 0.13 -2.74 -2.13 3.54 -0.02 -1.26 -2.10 135.00 130.41 1tpn n PRO 24 Ca -0.11 -0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 60.29 1tpn n PRO 24 Cb 0.54 -1.68 0.13 0.00 -0.02 0.00 0.00 33.50 32.47 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1tpn s VAL 25 N -2.15 2.10 0.00 -1.45 -7.23 -1.26 -3.88 120.40 106.53 1tpn s VAL 25 Ca 0.51 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1tpn s VAL 25 Cb -0.10 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1tpn s VAL 25 CO 0.49 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.46 1tpn n LEU 26 N -3.31 0.00 0.00 1.32 4.77 -1.26 -4.94 117.00 113.58 1tpn n LEU 26 Ca 0.12 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1tpn n LEU 26 Cb 0.60 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1tpn n LEU 26 CO 0.48 -0.50 0.00 0.54 -1.33 0.00 0.00 177.39 176.58 1tpn n ARG 27 N -2.33 0.00 0.00 3.23 1.74 -1.26 -5.07 116.66 112.98 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 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.80 0.55 7.64 -1.26 -5.04 113.62 114.71 1tpn n SER 28 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1tpn n SER 28 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.04 -3.34 6.43 5.15 -1.26 -5.05 115.26 117.15 1tpn n ASN 29 Ca 0.00 -1.68 -0.11 0.00 -0.60 0.00 0.00 54.58 52.19 1tpn n ASN 29 Cb 0.00 -0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.26 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1tpn n ARG 30 N 0.09 0.41 -4.19 1.20 1.74 -1.26 -4.21 116.66 110.45 1tpn n ARG 30 Ca -0.05 -1.42 -0.16 0.00 -0.77 0.00 0.00 57.85 55.44 1tpn n ARG 30 Cb 0.72 -0.27 -0.14 0.00 -1.02 0.00 0.00 32.46 31.74 1tpn n ARG 30 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1tpn s VAL 31 N -1.25 0.45 -0.31 1.55 -7.23 -1.23 -3.99 120.40 108.39 1tpn s VAL 31 Ca 0.32 -0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.04 1tpn s VAL 31 Cb -0.02 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.53 1tpn s VAL 31 CO 0.21 0.13 0.66 -1.61 -0.31 0.00 0.00 175.10 174.18 1tpn s GLU 32 N -0.13 3.89 -0.40 4.82 2.02 -0.89 -3.45 118.70 124.55 1tpn s GLU 32 Ca 0.02 0.32 -0.19 0.00 0.02 0.00 0.00 54.97 55.14 1tpn s GLU 32 Cb -0.02 -3.74 0.01 0.00 0.10 0.00 0.00 34.13 30.48 1tpn s GLU 32 CO -0.00 -0.61 0.55 -0.47 0.02 0.00 0.00 175.26 174.75 1tpn s TYR 33 N 2.68 3.13 -0.19 1.61 6.14 0.08 -0.31 117.35 130.50 1tpn s TYR 33 Ca 0.26 -0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.96 1tpn s TYR 33 Cb -0.15 -3.08 0.04 0.00 0.42 0.00 0.00 41.96 39.19 1tpn s TYR 33 CO 0.12 -0.70 -0.09 0.00 0.64 0.00 0.00 175.55 175.53 1tpn s TRP 35 N 1.47 1.35 -0.28 0.00 -2.14 0.25 -0.86 118.94 118.73 1tpn s TRP 35 Ca -0.01 -0.48 -0.24 0.00 2.66 0.00 0.00 56.10 58.03 1tpn s TRP 35 Cb -0.16 -0.74 -0.00 0.00 -3.10 0.00 0.00 33.47 29.47 1tpn s TRP 35 CO -0.08 0.10 0.83 0.00 -2.66 0.00 0.00 176.95 175.14 1tpn n ASN 37 N 6.18 2.07 0.00 0.00 6.94 -1.26 -0.41 115.26 128.78 1tpn n ASN 37 Ca 0.05 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 1tpn n ASN 37 Cb 0.48 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 38.36 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1tpn n SER 38 N 0.03 0.00 0.00 0.53 7.64 -1.26 -4.90 113.62 115.65 1tpn n SER 38 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1tpn n SER 38 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.08 -0.61 0.09 0.23 0.00 -1.26 -4.11 105.19 99.45 1tpn n GLY 39 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.93 -2.83 1.61 1.85 -1.26 -4.75 116.66 114.21 1tpn n ARG 40 Ca 0.00 -1.61 -0.01 0.00 -1.00 0.00 0.00 57.85 55.22 1tpn n ARG 40 Cb 0.00 -1.06 -0.01 0.00 -1.05 0.00 0.00 32.46 30.34 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 -0.39 -2.98 -2.29 2.89 0.00 -1.26 -4.94 120.51 111.54 1tpn n ALA 41 Ca 0.02 0.83 -0.35 0.00 0.00 0.00 0.00 53.44 53.94 1tpn n ALA 41 Cb 0.29 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.09 4.03 0.19 0.00 -0.44 0.40 -4.85 119.66 117.90 1tpn s GLN 42 Ca -0.07 0.58 -0.12 0.00 -2.50 0.00 0.00 55.36 53.24 1tpn s GLN 42 Cb 0.00 -2.87 0.00 0.00 -1.64 0.00 0.00 33.01 28.51 1tpn s GLN 42 CO 0.55 0.43 0.39 0.00 0.50 0.00 0.00 175.29 177.16 1tpn n HIS 44 N -0.28 -1.86 -3.64 0.00 1.44 0.83 -4.99 115.22 106.72 1tpn n HIS 44 Ca -0.07 -1.77 -0.21 0.00 -2.01 0.00 0.00 57.72 53.65 1tpn n HIS 44 Cb 0.63 0.68 -0.17 0.00 0.12 0.00 0.00 29.99 31.25 1tpn n HIS 44 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1tpn s SER 45 N -2.82 1.52 -0.12 4.39 0.15 -1.26 -0.74 113.70 114.80 1tpn s SER 45 Ca 0.18 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1tpn s SER 45 Cb -0.03 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1tpn s SER 45 CO 0.13 -0.29 -0.18 0.68 1.20 0.00 0.00 173.24 174.79 1tpn s VAL 46 N 2.19 2.60 1.42 4.45 -7.23 -1.22 -4.99 120.40 117.62 1tpn s VAL 46 Ca 0.04 -0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 59.17 1tpn s VAL 46 Cb -0.14 -2.06 0.37 0.00 0.56 0.00 0.00 36.38 35.11 1tpn s VAL 46 CO -0.06 0.54 0.92 -2.16 -0.31 0.00 0.00 175.10 174.02 1tpn s PRO 47 N 0.44 -2.93 0.09 4.82 0.04 -1.26 -3.52 135.00 132.67 1tpn s PRO 47 Ca -0.13 0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.14 1tpn s PRO 47 Cb -0.17 -1.37 -0.23 0.00 0.04 0.00 0.00 34.50 32.78 1tpn s PRO 47 CO 0.06 -4.91 1.19 -0.24 0.04 0.00 0.00 177.00 173.14 1tpn h VAL 48 N -3.45 1.49 0.00 -0.36 3.04 -1.93 -3.43 116.25 111.62 1tpn h VAL 48 Ca -0.46 -2.94 -0.15 0.00 -1.01 0.00 0.00 66.70 62.14 1tpn h VAL 48 Cb 1.35 2.82 -0.13 0.00 -2.01 0.00 0.00 31.29 33.32 1tpn h VAL 48 CO 0.31 0.86 -0.14 1.17 -1.01 0.00 0.00 177.57 178.76 1tpn n LYS 49 N -3.57 0.48 0.00 4.17 4.81 -1.26 -5.17 118.16 117.62 1tpn n LYS 49 Ca -0.07 -1.18 0.00 0.00 -0.87 0.00 0.00 58.31 56.18 1tpn n LYS 49 Cb 0.97 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.49 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02