#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 -1.98 -2.69 1.43 4.01 -1.26 -4.94 117.16 111.73 1tpn n TYR 2 Ca 0.00 0.33 -0.04 0.00 -0.16 0.00 0.00 57.90 58.03 1tpn n TYR 2 Cb 0.00 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 38.48 1tpn n TYR 2 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1tpn n GLN 3 N -1.47 -3.71 0.00 -0.72 6.02 -1.26 -4.98 117.38 111.26 1tpn n GLN 3 Ca 0.00 2.84 0.00 0.00 -0.01 0.00 0.00 57.00 59.83 1tpn n GLN 3 Cb 0.12 -3.84 0.00 0.00 1.02 0.00 0.00 30.24 27.54 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 1.96 0.00 -2.18 5.09 0.24 -1.26 -4.88 118.33 117.30 1tpn n VAL 4 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1tpn n VAL 4 Cb 0.43 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 0.00 0.00 -3.55 1.34 -5.35 -1.26 -2.58 119.36 107.96 1tpn n ILE 5 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1tpn n ILE 5 Cb 0.00 -1.22 -0.10 0.00 -1.74 0.00 0.00 39.64 36.58 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 2.54 3.68 -0.25 0.00 3.52 -1.26 -0.32 118.95 126.86 1tpn s ARG 7 Ca 0.04 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.33 1tpn s ARG 7 Cb -0.13 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1tpn s ARG 7 CO -0.13 -0.52 0.11 0.34 -0.81 0.00 0.00 175.30 174.30 1tpn s ASP 8 N 1.72 5.56 0.00 -2.12 2.15 -0.93 -4.96 116.67 118.08 1tpn s ASP 8 Ca 0.15 -0.08 0.30 0.00 0.43 0.00 0.00 52.55 53.35 1tpn s ASP 8 Cb -0.16 -2.00 1.38 0.00 -0.30 0.00 0.00 42.92 41.84 1tpn s ASP 8 CO 0.12 0.00 1.93 -1.84 -0.17 0.00 0.00 175.17 175.21 1tpn n GLU 9 N 4.69 1.34 0.05 4.34 0.28 -1.26 -0.21 120.64 129.87 1tpn n GLU 9 Ca -0.15 -0.55 0.13 0.00 -0.16 0.00 0.00 57.16 56.42 1tpn n GLU 9 Cb 0.52 -1.49 0.38 0.00 1.43 0.00 0.00 31.44 32.28 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 -0.35 0.16 0.00 3.44 4.01 -1.26 -4.11 118.16 120.05 1tpn n LYS 10 Ca 0.21 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1tpn n LYS 10 Cb 0.26 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 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 -1.92 0.00 -2.95 -0.18 5.66 -1.23 -4.97 114.28 108.70 1tpn n THR 11 Ca 0.05 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.94 1tpn n THR 11 Cb 0.40 0.44 0.04 0.00 -1.55 0.00 0.00 70.33 69.66 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 0.00 -3.91 -4.51 1.09 -0.06 0.71 -5.03 117.38 105.66 1tpn n GLN 12 Ca 0.00 0.44 -0.21 0.00 -2.00 0.00 0.00 57.00 55.23 1tpn n GLN 12 Cb 0.00 -4.27 -0.15 0.00 -4.06 0.00 0.00 30.24 21.76 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 1tpn s MET 13 N -5.31 0.99 0.42 3.69 1.75 -1.02 -4.97 119.30 114.86 1tpn s MET 13 Ca 0.19 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.07 1tpn s MET 13 Cb -0.08 -0.97 -0.04 0.00 2.84 0.00 0.00 34.83 36.58 1tpn s MET 13 CO 0.38 0.26 0.69 0.42 -0.65 0.00 0.00 175.02 176.13 1tpn s ILE 14 N -0.42 4.97 0.03 10.11 -1.09 -1.26 -2.19 121.20 131.34 1tpn s ILE 14 Ca 0.04 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1tpn s ILE 14 Cb -0.06 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1tpn s ILE 14 CO -0.00 -0.69 0.04 -0.31 -1.23 0.00 0.00 174.94 172.75 1tpn s TYR 15 N -2.53 0.25 0.17 3.97 2.02 0.57 -4.90 117.35 116.89 1tpn s TYR 15 Ca 0.45 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1tpn s TYR 15 Cb -0.10 -0.18 0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1tpn s TYR 15 CO 0.40 -0.30 0.23 1.04 -1.57 0.00 0.00 175.55 175.34 1tpn n GLN 16 N 1.01 0.01 -2.46 -0.62 1.13 -1.26 0.13 117.38 115.31 1tpn n GLN 16 Ca -0.20 -0.43 -0.40 0.00 -1.94 0.00 0.00 57.00 54.03 1tpn n GLN 16 Cb 0.57 -0.21 -0.04 0.00 0.11 0.00 0.00 30.24 30.67 1tpn n GLN 16 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1tpn s GLN 17 N -3.32 4.53 -1.56 -1.09 0.74 -1.07 -3.00 119.66 114.89 1tpn s GLN 17 Ca 0.14 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.33 1tpn s GLN 17 Cb -0.00 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.04 1tpn s GLN 17 CO 0.09 0.12 0.00 0.72 -0.55 0.00 0.00 175.29 175.67 1tpn n HIS 18 N 0.93 -0.44 -3.33 1.67 8.25 0.12 -4.91 115.22 117.52 1tpn n HIS 18 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1tpn n HIS 18 Cb 0.45 -2.87 -0.07 0.00 1.12 0.00 0.00 29.99 28.63 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 -3.57 4.21 -0.06 -0.41 0.74 -1.16 -4.78 119.66 114.63 1tpn s GLN 19 Ca 0.00 0.32 -0.14 0.00 0.05 0.00 0.00 55.36 55.59 1tpn s GLN 19 Cb 0.00 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1tpn s GLN 19 CO 0.00 -0.03 0.37 -1.54 -0.55 0.00 0.00 175.29 173.54 1tpn s SER 20 N 0.98 6.69 -0.11 6.67 1.04 -1.26 -2.33 113.70 125.38 1tpn s SER 20 Ca 0.22 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1tpn s SER 20 Cb -0.15 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1tpn s SER 20 CO 0.09 0.24 0.24 -1.66 0.98 0.00 0.00 173.24 173.13 1tpn s TRP 21 N -0.53 -0.34 0.78 5.02 -2.14 0.79 -4.98 118.94 117.54 1tpn s TRP 21 Ca 0.22 0.82 -0.12 0.00 2.66 0.00 0.00 56.10 59.68 1tpn s TRP 21 Cb -0.15 -0.01 0.06 0.00 -3.10 0.00 0.00 33.47 30.27 1tpn s TRP 21 CO 0.10 -0.27 1.15 -0.51 -2.66 0.00 0.00 176.95 174.76 1tpn s LEU 22 N 1.72 2.60 0.08 -4.66 2.01 -1.26 -2.64 118.68 116.53 1tpn s LEU 22 Ca -0.05 0.93 -0.07 0.00 0.01 0.00 0.00 54.13 54.95 1tpn s LEU 22 Cb -0.11 -3.52 -0.01 0.00 0.01 0.00 0.00 46.19 42.56 1tpn s LEU 22 CO -0.08 -1.78 0.14 -0.13 1.01 0.00 0.00 176.35 175.51 1tpn s ARG 23 N -5.47 0.78 1.09 1.70 0.52 0.21 -4.92 118.95 112.87 1tpn s ARG 23 Ca 0.61 -0.98 -0.21 0.00 -0.52 0.00 0.00 55.73 54.63 1tpn s ARG 23 Cb -0.11 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1tpn s ARG 23 CO 0.50 -0.23 -0.39 -2.30 0.02 0.00 0.00 175.30 172.90 1tpn n PRO 24 N 0.05 -1.25 -2.29 3.54 -0.02 -1.26 -1.82 135.00 131.96 1tpn n PRO 24 Ca -0.15 -0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 60.72 1tpn n PRO 24 Cb 0.62 -1.52 0.10 0.00 -0.02 0.00 0.00 33.50 32.67 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 -2.17 2.23 0.00 -1.45 -7.23 -1.26 -3.39 120.40 107.13 1tpn s VAL 25 Ca 0.51 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1tpn s VAL 25 Cb -0.06 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1tpn s VAL 25 CO 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.45 1tpn n LEU 26 N -2.99 2.57 0.00 1.32 -0.00 -1.26 -4.92 117.00 111.71 1tpn n LEU 26 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1tpn n LEU 26 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1tpn n LEU 26 CO 0.48 0.00 -0.01 0.54 -0.00 0.00 0.00 177.39 178.40 1tpn n ARG 27 N -0.62 1.36 0.00 1.47 1.74 -1.26 -5.05 116.66 114.29 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 -0.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.09 0.00 -0.52 0.55 7.64 -1.26 -5.04 113.62 114.90 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 0.01 -2.97 6.43 2.85 -1.26 -5.04 115.26 115.28 1tpn n ASN 29 Ca 0.00 -1.65 -0.13 0.00 -0.11 0.00 0.00 54.58 52.69 1tpn n ASN 29 Cb 0.00 -0.13 0.09 0.00 1.24 0.00 0.00 39.78 40.98 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1tpn n ARG 30 N 0.01 -0.45 -4.36 1.20 1.74 -1.26 -4.34 116.66 109.20 1tpn n ARG 30 Ca -0.00 -1.04 -0.19 0.00 -0.77 0.00 0.00 57.85 55.85 1tpn n ARG 30 Cb 0.64 -0.59 -0.14 0.00 -1.02 0.00 0.00 32.46 31.35 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 -2.19 0.76 -0.41 1.55 -7.23 -0.94 -4.17 120.40 107.77 1tpn s VAL 31 Ca 0.35 -0.50 -0.22 0.00 -1.81 0.00 0.00 61.98 59.80 1tpn s VAL 31 Cb -0.01 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.29 1tpn s VAL 31 CO 0.24 0.15 0.72 -1.61 -0.31 0.00 0.00 175.10 174.30 1tpn s GLU 32 N -0.40 3.50 -0.20 4.82 2.02 -0.75 -3.10 118.70 124.59 1tpn s GLU 32 Ca 0.03 -0.06 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 1tpn s GLU 32 Cb -0.04 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1tpn s GLU 32 CO -0.00 -0.96 0.09 -0.47 0.02 0.00 0.00 175.26 173.94 1tpn s TYR 33 N 3.02 3.30 -0.08 1.61 6.14 -0.45 0.65 117.35 131.54 1tpn s TYR 33 Ca 0.27 0.14 -0.14 0.00 0.64 0.00 0.00 57.07 57.98 1tpn s TYR 33 Cb -0.13 -2.13 0.03 0.00 0.42 0.00 0.00 41.96 40.15 1tpn s TYR 33 CO 0.19 0.16 0.36 0.00 0.64 0.00 0.00 175.55 176.90 1tpn s TRP 35 N -0.55 0.09 -0.40 0.00 -2.14 0.87 -0.15 118.94 116.67 1tpn s TRP 35 Ca -0.07 -0.29 -0.29 0.00 2.66 0.00 0.00 56.10 58.12 1tpn s TRP 35 Cb -0.04 -0.07 0.02 0.00 -3.10 0.00 0.00 33.47 30.28 1tpn s TRP 35 CO 0.03 -0.35 1.13 0.00 -2.66 0.00 0.00 176.95 175.09 1tpn h ASN 37 N 8.79 0.00 0.00 0.00 -1.24 -1.91 0.35 115.58 121.57 1tpn h ASN 37 Ca -0.22 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1tpn h ASN 37 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1tpn h ASN 37 CO 1.08 0.02 0.00 -1.54 -1.29 0.00 0.00 177.43 175.70 1tpn n SER 38 N -2.69 0.00 0.00 1.15 3.41 -1.26 -4.79 113.62 109.44 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 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 -0.87 0.42 5.00 0.00 -1.26 -4.64 105.19 103.84 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 0.50 -2.66 1.61 1.85 -1.26 -4.85 116.66 111.85 1tpn n ARG 40 Ca 0.00 -1.13 -0.03 0.00 -1.00 0.00 0.00 57.85 55.69 1tpn n ARG 40 Cb 0.00 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 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 0.59 -3.59 -2.58 2.89 0.00 -1.26 -4.90 120.51 111.67 1tpn n ALA 41 Ca 0.06 1.65 -0.42 0.00 0.00 0.00 0.00 53.44 54.73 1tpn n ALA 41 Cb 0.27 -3.24 -0.06 0.00 0.00 0.00 0.00 19.45 16.42 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 -1.05 3.73 0.11 0.00 -0.44 0.26 -4.88 119.66 117.39 1tpn s GLN 42 Ca -0.17 0.20 0.10 0.00 -2.50 0.00 0.00 55.36 52.99 1tpn s GLN 42 Cb 0.01 -3.80 -0.04 0.00 -1.64 0.00 0.00 33.01 27.54 1tpn s GLN 42 CO 0.78 -0.77 -0.26 0.00 0.50 0.00 0.00 175.29 175.54 1tpn s HIS 44 N -1.00 0.07 -0.18 0.00 -3.43 0.46 -4.99 115.29 106.22 1tpn s HIS 44 Ca 0.13 -0.45 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1tpn s HIS 44 Cb -0.10 0.07 0.03 0.00 -1.43 0.00 0.00 32.58 31.15 1tpn s HIS 44 CO 0.05 -0.65 -0.15 -1.12 -2.00 0.00 0.00 174.74 170.86 1tpn s SER 45 N -2.87 3.20 0.12 7.38 0.01 -1.26 -1.34 113.70 118.95 1tpn s SER 45 Ca 0.07 -0.74 0.09 0.00 1.31 0.00 0.00 55.95 56.68 1tpn s SER 45 Cb 0.03 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 1tpn s SER 45 CO -0.09 -0.07 -0.21 0.68 0.41 0.00 0.00 173.24 173.96 1tpn s VAL 46 N 1.35 1.81 1.33 3.43 -7.23 -1.18 -4.98 120.40 114.93 1tpn s VAL 46 Ca 0.02 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 1tpn s VAL 46 Cb -0.14 -1.69 0.32 0.00 0.56 0.00 0.00 36.38 35.43 1tpn s VAL 46 CO -0.10 -0.11 0.74 -2.65 -0.31 0.00 0.00 175.10 172.67 1tpn n PRO 47 N 0.85 -3.95 0.01 4.82 -0.01 -1.26 -2.22 135.00 133.24 1tpn n PRO 47 Ca -0.18 -1.17 -0.08 0.00 -0.01 0.00 0.00 63.50 62.07 1tpn n PRO 47 Cb 0.54 -1.83 -0.13 0.00 -0.01 0.00 0.00 33.50 32.07 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 -3.30 1.17 -2.09 -1.45 3.04 -1.88 -3.40 116.25 108.34 1tpn h VAL 48 Ca -0.39 -2.96 -0.55 0.00 -1.01 0.00 0.00 66.70 61.80 1tpn h VAL 48 Cb 1.19 2.57 -0.40 0.00 -2.01 0.00 0.00 31.29 32.64 1tpn h VAL 48 CO 0.25 0.66 -0.96 1.17 -1.01 0.00 0.00 177.57 177.68 1tpn n LYS 49 N -3.16 1.58 0.00 4.17 4.81 -1.26 -5.08 118.16 119.22 1tpn n LYS 49 Ca -0.10 -3.83 0.00 0.00 -0.87 0.00 0.00 58.31 53.51 1tpn n LYS 49 Cb 1.00 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02