#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 -3.89 -1.42 7.33 4.02 -1.26 -4.87 117.16 117.07 1tpn n TYR 2 Ca 0.00 -0.97 0.04 0.00 -0.01 0.00 0.00 57.90 56.95 1tpn n TYR 2 Cb 0.00 -1.14 -0.02 0.00 -0.02 0.00 0.00 39.34 38.15 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 -4.91 -3.14 -0.00 -0.72 6.02 -1.26 -4.35 117.38 109.02 1tpn n GLN 3 Ca 0.15 2.47 0.00 0.00 -0.01 0.00 0.00 57.00 59.61 1tpn n GLN 3 Cb 0.59 -3.30 0.00 0.00 1.02 0.00 0.00 30.24 28.54 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 -2.94 0.00 -2.47 5.09 0.24 -1.26 -4.84 118.33 112.15 1tpn n VAL 4 Ca -0.02 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.04 1tpn n VAL 4 Cb 0.43 -0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.81 2.76 -0.21 1.34 -5.25 -1.26 -2.72 121.20 114.06 1tpn s ILE 5 Ca 0.00 -0.41 -0.03 0.00 -0.99 0.00 0.00 60.65 59.23 1tpn s ILE 5 Cb 0.00 -3.10 0.06 0.00 2.95 0.00 0.00 42.46 42.37 1tpn s ILE 5 CO 0.00 -0.09 0.04 0.00 -1.79 0.00 0.00 174.94 173.10 1tpn s ARG 7 N 1.84 3.82 -0.28 0.00 3.52 -1.26 -0.83 118.95 125.76 1tpn s ARG 7 Ca 0.00 0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.81 1tpn s ARG 7 Cb -0.17 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 1tpn s ARG 7 CO -0.10 -0.71 0.14 0.34 -0.81 0.00 0.00 175.30 174.16 1tpn s ASP 8 N 1.73 5.55 0.00 -2.12 -1.08 -1.05 -4.95 116.67 114.75 1tpn s ASP 8 Ca 0.28 -0.27 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 1tpn s ASP 8 Cb -0.14 -2.01 1.23 0.00 -1.46 0.00 0.00 42.92 40.54 1tpn s ASP 8 CO 0.14 -0.10 1.84 -1.84 0.52 0.00 0.00 175.17 175.73 1tpn n GLU 9 N 4.99 1.45 0.02 4.34 0.28 -1.26 -0.41 120.64 130.06 1tpn n GLU 9 Ca -0.15 -0.67 0.13 0.00 -0.16 0.00 0.00 57.16 56.32 1tpn n GLU 9 Cb 0.51 -1.46 0.44 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.18 0.08 0.00 3.44 3.00 -1.26 -4.12 118.16 119.12 1tpn n LYS 10 Ca 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1tpn n LYS 10 Cb 0.27 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1tpn n LYS 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1tpn n THR 11 N -1.69 0.00 -2.61 3.15 -2.24 -1.23 -5.02 114.28 104.64 1tpn n THR 11 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1tpn n THR 11 Cb 0.36 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.05 -1.03 -4.24 -0.78 7.27 0.45 -5.05 117.38 113.94 1tpn n GLN 12 Ca 0.00 0.11 -0.19 0.00 0.07 0.00 0.00 57.00 56.99 1tpn n GLN 12 Cb 0.00 -2.94 -0.16 0.00 2.41 0.00 0.00 30.24 29.55 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 -5.10 0.80 0.13 3.69 1.75 -0.97 -4.98 119.30 114.62 1tpn s MET 13 Ca 0.07 -0.18 -0.09 0.00 -1.25 0.00 0.00 55.69 54.23 1tpn s MET 13 Cb -0.03 -0.78 -0.06 0.00 2.84 0.00 0.00 34.83 36.80 1tpn s MET 13 CO 0.10 0.02 0.45 0.42 -0.65 0.00 0.00 175.02 175.35 1tpn s ILE 14 N 0.50 5.04 0.25 10.11 1.01 -1.26 -2.53 121.20 134.31 1tpn s ILE 14 Ca -0.07 0.43 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1tpn s ILE 14 Cb -0.11 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1tpn s ILE 14 CO 0.00 0.17 -0.04 -0.31 0.00 0.00 0.00 174.94 174.76 1tpn s TYR 15 N -1.54 1.73 0.00 3.97 2.02 -0.01 -4.91 117.35 118.62 1tpn s TYR 15 Ca 0.38 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1tpn s TYR 15 Cb -0.13 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1tpn s TYR 15 CO 0.20 0.13 0.00 1.04 -1.57 0.00 0.00 175.55 175.35 1tpn n GLN 16 N -0.48 0.52 -2.31 -0.62 6.02 -1.26 0.39 117.38 119.64 1tpn n GLN 16 Ca -0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.59 1tpn n GLN 16 Cb 0.63 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.88 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 -2.47 3.50 -0.55 -1.09 0.74 -1.10 -3.09 119.66 115.61 1tpn s GLN 17 Ca 0.00 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.83 1tpn s GLN 17 Cb 0.00 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 32.07 1tpn s GLN 17 CO 0.00 -0.69 0.00 0.72 -0.55 0.00 0.00 175.29 174.77 1tpn n HIS 18 N -1.36 -1.17 -3.43 1.67 8.25 0.03 -4.86 115.22 114.35 1tpn n HIS 18 Ca 0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.18 1tpn n HIS 18 Cb 0.52 -1.73 -0.07 0.00 1.12 0.00 0.00 29.99 29.83 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 -3.59 4.19 -0.07 -0.41 2.00 -1.18 -4.79 119.66 115.82 1tpn s GLN 19 Ca 0.00 0.15 -0.17 0.00 -2.00 0.00 0.00 55.36 53.35 1tpn s GLN 19 Cb 0.00 -3.51 -0.05 0.00 0.80 0.00 0.00 33.01 30.25 1tpn s GLN 19 CO 0.00 0.03 0.44 -1.54 -0.50 0.00 0.00 175.29 173.72 1tpn s SER 20 N 0.92 6.74 -0.09 6.67 1.04 -1.26 -2.34 113.70 125.37 1tpn s SER 20 Ca 0.18 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.45 1tpn s SER 20 Cb -0.14 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.76 1tpn s SER 20 CO 0.07 0.14 0.18 -1.66 0.98 0.00 0.00 173.24 172.96 1tpn s TRP 21 N -0.12 -0.24 0.71 5.02 -2.14 0.12 -4.97 118.94 117.32 1tpn s TRP 21 Ca 0.25 0.68 -0.11 0.00 2.66 0.00 0.00 56.10 59.57 1tpn s TRP 21 Cb -0.16 -0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.06 1tpn s TRP 21 CO 0.11 -0.27 1.08 -0.51 -2.66 0.00 0.00 176.95 174.70 1tpn s LEU 22 N 2.09 2.92 0.06 -4.66 2.01 -1.26 -1.36 118.68 118.48 1tpn s LEU 22 Ca 0.00 1.28 -0.04 0.00 0.01 0.00 0.00 54.13 55.38 1tpn s LEU 22 Cb -0.12 -4.09 -0.02 0.00 0.01 0.00 0.00 46.19 41.97 1tpn s LEU 22 CO -0.06 -1.40 0.04 -0.13 1.01 0.00 0.00 176.35 175.81 1tpn s ARG 23 N -5.25 0.65 1.04 1.70 0.52 0.16 -4.85 118.95 112.93 1tpn s ARG 23 Ca 0.58 -1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 1tpn s ARG 23 Cb -0.12 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 1tpn s ARG 23 CO 0.53 -0.15 -0.58 -2.30 0.02 0.00 0.00 175.30 172.82 1tpn n PRO 24 N 0.25 -1.02 -2.25 3.54 -0.02 -1.26 -1.69 135.00 132.55 1tpn n PRO 24 Ca -0.16 -0.29 -0.27 0.00 -2.02 0.00 0.00 63.50 60.77 1tpn n PRO 24 Cb 0.61 -1.38 0.14 0.00 -0.02 0.00 0.00 33.50 32.85 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 -2.12 2.07 0.00 -1.45 -7.23 -1.26 -3.47 120.40 106.94 1tpn s VAL 25 Ca 0.44 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1tpn s VAL 25 Cb -0.02 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1tpn s VAL 25 CO 0.61 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.58 1tpn n LEU 26 N -3.30 0.26 0.00 1.32 4.77 -1.26 -4.91 117.00 113.88 1tpn n LEU 26 Ca 0.15 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1tpn n LEU 26 Cb 0.60 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1tpn n LEU 26 CO 0.45 -0.45 0.00 0.54 -1.33 0.00 0.00 177.39 176.59 1tpn n ARG 27 N -1.90 0.00 0.00 3.23 1.74 -1.26 -5.07 116.66 113.39 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 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.12 0.55 7.64 -1.26 -5.04 113.62 115.39 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 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1tpn n SER 28 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tpn n ASN 29 N 0.00 0.00 -3.00 6.43 4.13 -1.26 -5.05 115.26 116.51 1tpn n ASN 29 Ca 0.00 -1.12 -0.13 0.00 1.68 0.00 0.00 54.58 55.01 1tpn n ASN 29 Cb 0.00 -0.02 0.09 0.00 -1.54 0.00 0.00 39.78 38.30 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1tpn n ARG 30 N 0.00 -0.36 -4.57 3.52 1.74 -1.26 -3.95 116.66 111.78 1tpn n ARG 30 Ca 0.00 -1.08 -0.22 0.00 -0.77 0.00 0.00 57.85 55.78 1tpn n ARG 30 Cb 0.52 -0.56 -0.15 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.09 1.09 -0.30 1.55 -7.23 -0.26 -4.15 120.40 109.01 1tpn s VAL 31 Ca 0.35 -0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 59.63 1tpn s VAL 31 Cb -0.01 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 1tpn s VAL 31 CO 0.24 0.24 0.65 -1.61 -0.31 0.00 0.00 175.10 174.31 1tpn s GLU 32 N -0.51 3.92 -0.44 4.82 2.02 -0.68 -2.69 118.70 125.14 1tpn s GLU 32 Ca 0.04 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.20 1tpn s GLU 32 Cb -0.06 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.47 1tpn s GLU 32 CO -0.00 -0.58 0.54 -0.47 0.02 0.00 0.00 175.26 174.76 1tpn s TYR 33 N 2.66 3.12 -0.22 1.61 6.14 -0.44 0.39 117.35 130.60 1tpn s TYR 33 Ca 0.26 -0.28 -0.02 0.00 0.64 0.00 0.00 57.07 57.68 1tpn s TYR 33 Cb -0.15 -3.14 0.01 0.00 0.42 0.00 0.00 41.96 39.10 1tpn s TYR 33 CO 0.12 -0.80 -0.09 0.00 0.64 0.00 0.00 175.55 175.41 1tpn s TRP 35 N 1.38 1.51 -0.33 0.00 -2.14 0.37 0.11 118.94 119.84 1tpn s TRP 35 Ca 0.04 -0.51 -0.24 0.00 2.66 0.00 0.00 56.10 58.05 1tpn s TRP 35 Cb -0.15 -0.79 0.01 0.00 -3.10 0.00 0.00 33.47 29.44 1tpn s TRP 35 CO -0.06 0.18 0.83 0.00 -2.66 0.00 0.00 176.95 175.23 1tpn h ASN 37 N 8.23 0.00 0.00 0.00 -1.24 -1.91 0.13 115.58 120.79 1tpn h ASN 37 Ca -0.24 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1tpn h ASN 37 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1tpn h ASN 37 CO 0.91 0.04 0.00 -1.20 -1.29 0.00 0.00 177.43 175.89 1tpn n SER 38 N -2.49 0.00 0.00 1.15 7.64 -1.26 -4.82 113.62 113.84 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1tpn n SER 38 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 -0.87 0.74 0.23 0.00 -1.26 -4.85 105.19 99.18 1tpn n GLY 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 2.61 -2.83 1.61 1.85 -1.26 -4.67 116.66 113.97 1tpn n ARG 40 Ca 0.00 -2.06 -0.01 0.00 -1.00 0.00 0.00 57.85 54.78 1tpn n ARG 40 Cb 0.00 -1.32 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 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 0.73 -3.04 -2.58 2.89 0.00 -1.26 -4.96 120.51 112.29 1tpn n ALA 41 Ca 0.13 0.70 -0.33 0.00 0.00 0.00 0.00 53.44 53.94 1tpn n ALA 41 Cb 0.45 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.23 3.73 0.23 0.00 -0.44 0.54 -4.86 119.66 117.62 1tpn s GLN 42 Ca -0.05 0.11 -0.13 0.00 -2.50 0.00 0.00 55.36 52.79 1tpn s GLN 42 Cb 0.00 -2.89 -0.00 0.00 -1.64 0.00 0.00 33.01 28.48 1tpn s GLN 42 CO 0.57 0.49 0.45 0.00 0.50 0.00 0.00 175.29 177.30 1tpn n HIS 44 N -0.35 -0.72 -3.68 0.00 1.44 0.50 -4.99 115.22 107.42 1tpn n HIS 44 Ca -0.03 -0.27 -0.16 0.00 -2.01 0.00 0.00 57.72 55.26 1tpn n HIS 44 Cb 0.62 0.08 -0.15 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.26 0.52 0.16 4.39 0.15 -1.26 -1.33 113.70 115.07 1tpn s SER 45 Ca 0.03 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.17 1tpn s SER 45 Cb -0.00 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1tpn s SER 45 CO 0.02 -0.23 -0.24 0.68 1.20 0.00 0.00 173.24 174.67 1tpn s VAL 46 N 2.11 2.24 0.88 4.45 -7.23 -1.09 -4.97 120.40 116.79 1tpn s VAL 46 Ca 0.01 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 1tpn s VAL 46 Cb -0.12 -2.02 0.22 0.00 0.56 0.00 0.00 36.38 35.01 1tpn s VAL 46 CO -0.06 -0.06 0.49 -2.65 -0.31 0.00 0.00 175.10 172.51 1tpn n PRO 47 N 0.54 -3.06 -0.79 4.82 -0.01 -1.26 -1.10 135.00 134.15 1tpn n PRO 47 Ca -0.15 -0.82 -0.13 0.00 -0.01 0.00 0.00 63.50 62.39 1tpn n PRO 47 Cb 0.55 -1.16 -0.11 0.00 -0.01 0.00 0.00 33.50 32.77 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1tpn n VAL 48 N -4.55 2.43 -1.60 -1.45 3.14 -1.25 -4.16 118.33 110.88 1tpn n VAL 48 Ca 0.08 -1.27 -0.60 0.00 -2.96 0.00 0.00 64.34 59.58 1tpn n VAL 48 Cb 0.34 -1.96 -0.08 0.00 -1.06 0.00 0.00 33.84 31.07 1tpn n VAL 48 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1tpn n LYS 49 N 2.89 0.25 0.00 1.45 4.76 -1.26 -5.09 118.16 121.16 1tpn n LYS 49 Ca 0.37 0.09 0.07 0.00 -2.87 0.00 0.00 58.31 55.98 1tpn n LYS 49 Cb 0.58 -1.63 0.43 0.00 -1.84 0.00 0.00 35.03 32.57 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48