#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 -1.65 -3.02 1.43 4.01 -1.26 -4.88 117.16 111.79 1tpn n TYR 2 Ca 0.00 0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1tpn n TYR 2 Cb 0.00 -1.53 -0.06 0.00 -0.31 0.00 0.00 39.34 37.44 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 -3.58 3.71 -0.00 -0.72 -0.21 -1.26 -4.84 119.66 112.75 1tpn s GLN 3 Ca 0.55 0.19 0.03 0.00 0.02 0.00 0.00 55.36 56.14 1tpn s GLN 3 Cb -0.12 -3.81 -0.03 0.00 1.00 0.00 0.00 33.01 30.04 1tpn s GLN 3 CO 0.61 -0.81 0.09 0.28 -2.12 0.00 0.00 175.29 173.34 1tpn n VAL 4 N 5.71 0.00 -3.10 1.09 0.31 -1.26 -4.47 118.33 116.60 1tpn n VAL 4 Ca 0.01 -0.26 -0.19 0.00 -0.01 0.00 0.00 64.34 63.89 1tpn n VAL 4 Cb 0.48 0.74 0.04 0.00 -0.91 0.00 0.00 33.84 34.19 1tpn n VAL 4 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1tpn s ILE 5 N -1.68 2.42 -0.15 2.52 -4.36 -1.26 -0.86 121.20 117.83 1tpn s ILE 5 Ca 0.00 -1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 59.30 1tpn s ILE 5 Cb 0.02 -2.47 0.06 0.00 1.25 0.00 0.00 42.46 41.32 1tpn s ILE 5 CO 0.11 0.00 0.09 0.00 0.24 0.00 0.00 174.94 175.38 1tpn s ARG 7 N 2.15 3.85 -0.25 0.00 3.52 -1.26 -0.82 118.95 126.13 1tpn s ARG 7 Ca 0.02 0.31 -0.09 0.00 -0.13 0.00 0.00 55.73 55.85 1tpn s ARG 7 Cb -0.15 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1tpn s ARG 7 CO -0.08 -0.67 0.11 0.34 -0.81 0.00 0.00 175.30 174.19 1tpn s ASP 8 N 1.70 5.51 0.00 -2.12 -1.08 -0.79 -4.96 116.67 114.93 1tpn s ASP 8 Ca 0.27 -0.10 0.28 0.00 -0.52 0.00 0.00 52.55 52.48 1tpn s ASP 8 Cb -0.14 -2.00 1.08 0.00 -1.46 0.00 0.00 42.92 40.40 1tpn s ASP 8 CO 0.13 -0.02 1.76 -1.84 0.52 0.00 0.00 175.17 175.73 1tpn n GLU 9 N 4.82 0.94 0.03 4.34 0.28 -1.26 -0.56 120.64 129.22 1tpn n GLU 9 Ca -0.15 -0.44 0.13 0.00 -0.16 0.00 0.00 57.16 56.54 1tpn n GLU 9 Cb 0.52 -1.49 0.44 0.00 1.43 0.00 0.00 31.44 32.33 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 -0.65 0.09 0.00 3.44 3.00 -1.26 -4.02 118.16 118.76 1tpn n LYS 10 Ca 0.15 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1tpn n LYS 10 Cb 0.30 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.75 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 -1.74 0.00 -2.88 3.15 -2.24 -1.23 -5.03 114.28 104.30 1tpn n THR 11 Ca 0.06 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1tpn n THR 11 Cb 0.37 0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1tpn n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tpn n GLN 12 N -0.14 -3.34 -4.24 -0.78 6.02 0.27 -5.04 117.38 110.14 1tpn n GLN 12 Ca 0.00 0.37 -0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1tpn n GLN 12 Cb 0.00 -3.98 -0.14 0.00 1.02 0.00 0.00 30.24 27.14 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1tpn s MET 13 N -5.31 0.54 -0.05 -1.09 1.75 -0.93 -4.98 119.30 109.24 1tpn s MET 13 Ca 0.19 -0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.34 1tpn s MET 13 Cb -0.08 -0.52 -0.04 0.00 2.84 0.00 0.00 34.83 37.02 1tpn s MET 13 CO 0.32 0.14 0.17 0.42 -0.65 0.00 0.00 175.02 175.42 1tpn s ILE 14 N -0.17 5.44 0.31 10.11 1.01 -1.26 -1.89 121.20 134.76 1tpn s ILE 14 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1tpn s ILE 14 Cb -0.03 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1tpn s ILE 14 CO -0.00 0.42 -0.01 -0.31 0.00 0.00 0.00 174.94 175.04 1tpn s TYR 15 N -1.23 2.04 0.00 3.97 1.51 0.00 -4.90 117.35 118.75 1tpn s TYR 15 Ca 0.23 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1tpn s TYR 15 Cb -0.12 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1tpn s TYR 15 CO 0.14 0.22 0.00 1.04 -1.11 0.00 0.00 175.55 175.84 1tpn n GLN 16 N -0.67 0.24 -2.72 -0.62 6.02 -1.26 0.56 117.38 118.92 1tpn n GLN 16 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 1tpn n GLN 16 Cb 0.65 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.85 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 -2.72 4.11 -1.48 -1.09 0.74 -0.04 -3.31 119.66 115.88 1tpn s GLN 17 Ca 0.00 1.22 0.00 0.00 0.05 0.00 0.00 55.36 56.63 1tpn s GLN 17 Cb 0.00 -2.20 0.00 0.00 1.10 0.00 0.00 33.01 31.91 1tpn s GLN 17 CO 0.00 -0.14 0.00 0.72 -0.55 0.00 0.00 175.29 175.32 1tpn n HIS 18 N -0.65 -0.35 -3.20 1.67 8.25 0.84 -4.89 115.22 116.89 1tpn n HIS 18 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 1tpn n HIS 18 Cb 0.53 -2.66 -0.06 0.00 1.12 0.00 0.00 29.99 28.92 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 -3.20 4.24 -0.07 -0.41 2.00 -1.21 -4.76 119.66 116.25 1tpn s GLN 19 Ca 0.00 0.52 -0.18 0.00 -2.00 0.00 0.00 55.36 53.69 1tpn s GLN 19 Cb 0.00 -3.53 -0.05 0.00 0.80 0.00 0.00 33.01 30.23 1tpn s GLN 19 CO 0.00 -0.10 0.50 -1.54 -0.50 0.00 0.00 175.29 173.65 1tpn s SER 20 N 1.04 6.78 -0.23 6.67 1.04 -1.26 -2.27 113.70 125.47 1tpn s SER 20 Ca 0.27 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.59 1tpn s SER 20 Cb -0.16 -2.30 0.12 0.00 0.10 0.00 0.00 66.02 63.78 1tpn s SER 20 CO 0.11 0.06 0.40 -1.66 0.98 0.00 0.00 173.24 173.12 1tpn s TRP 21 N 0.23 -0.83 0.60 5.02 -2.14 0.16 -4.98 118.94 116.99 1tpn s TRP 21 Ca 0.27 1.10 -0.06 0.00 2.66 0.00 0.00 56.10 60.07 1tpn s TRP 21 Cb -0.16 0.13 0.01 0.00 -3.10 0.00 0.00 33.47 30.36 1tpn s TRP 21 CO 0.13 -0.64 0.90 -0.51 -2.66 0.00 0.00 176.95 174.17 1tpn s LEU 22 N 2.58 3.20 0.14 -4.66 1.02 -1.26 -2.75 118.68 116.95 1tpn s LEU 22 Ca 0.08 0.65 0.04 0.00 0.02 0.00 0.00 54.13 54.92 1tpn s LEU 22 Cb -0.14 -3.46 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1tpn s LEU 22 CO -0.15 -1.11 -0.09 -0.13 0.02 0.00 0.00 176.35 174.88 1tpn s ARG 23 N -5.00 1.02 1.08 1.70 0.52 0.19 -4.90 118.95 113.57 1tpn s ARG 23 Ca 0.54 -1.43 -0.17 0.00 -0.52 0.00 0.00 55.73 54.16 1tpn s ARG 23 Cb -0.11 -0.54 0.15 0.00 0.52 0.00 0.00 34.95 34.97 1tpn s ARG 23 CO 0.45 0.06 0.16 -2.30 0.02 0.00 0.00 175.30 173.69 1tpn n PRO 24 N -0.16 -2.11 -2.17 3.54 -0.01 -1.26 -1.81 135.00 131.01 1tpn n PRO 24 Ca -0.11 -0.62 -0.28 0.00 -0.01 0.00 0.00 63.50 62.49 1tpn n PRO 24 Cb 0.61 -1.57 0.17 0.00 -0.01 0.00 0.00 33.50 32.70 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 -2.13 2.01 0.00 -1.45 -7.23 -1.24 -3.94 120.40 106.42 1tpn s VAL 25 Ca 0.46 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1tpn s VAL 25 Cb -0.08 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.06 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 -3.52 0.50 0.00 1.32 4.77 -1.26 -4.92 117.00 113.88 1tpn n LEU 26 Ca 0.16 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1tpn n LEU 26 Cb 0.60 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1tpn n LEU 26 CO 0.43 -0.32 -0.05 0.54 -1.33 0.00 0.00 177.39 176.66 1tpn n ARG 27 N -1.83 3.27 0.00 3.23 5.12 -1.26 -5.04 116.66 120.15 1tpn n ARG 27 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1tpn n ARG 27 Cb 0.00 -0.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1tpn n ARG 27 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1tpn n SER 28 N -0.22 0.00 -0.39 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 0.00 -4.84 6.43 5.15 -1.26 -5.01 115.26 115.74 1tpn n ASN 29 Ca 0.00 -1.36 -0.34 0.00 -0.60 0.00 0.00 54.58 52.28 1tpn n ASN 29 Cb 0.00 -0.07 -0.06 0.00 -0.53 0.00 0.00 39.78 39.12 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 4.09 -0.00 1.20 0.52 -1.26 -4.45 118.95 119.05 1tpn s ARG 30 Ca 0.00 0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 55.76 1tpn s ARG 30 Cb 0.00 -2.71 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 1tpn s ARG 30 CO 0.00 0.32 0.41 0.14 0.02 0.00 0.00 175.30 176.19 1tpn s VAL 31 N -1.70 5.02 -0.29 3.52 -7.23 -1.23 -3.70 120.40 114.79 1tpn s VAL 31 Ca 0.46 0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 61.30 1tpn s VAL 31 Cb -0.14 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 1tpn s VAL 31 CO 0.19 0.57 0.54 -1.61 -0.31 0.00 0.00 175.10 174.49 1tpn s GLU 32 N -1.03 3.93 -0.25 4.82 2.02 -0.75 -3.41 118.70 124.03 1tpn s GLU 32 Ca 0.24 0.21 -0.20 0.00 0.02 0.00 0.00 54.97 55.24 1tpn s GLU 32 Cb -0.17 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.34 1tpn s GLU 32 CO 0.13 -0.47 0.63 -0.47 0.02 0.00 0.00 175.26 175.10 1tpn s TYR 33 N 2.40 3.29 -0.07 1.61 6.14 0.11 -0.63 117.35 130.21 1tpn s TYR 33 Ca 0.22 0.83 -0.01 0.00 0.64 0.00 0.00 57.07 58.74 1tpn s TYR 33 Cb -0.15 -2.83 0.03 0.00 0.42 0.00 0.00 41.96 39.42 1tpn s TYR 33 CO 0.11 -0.31 0.01 0.00 0.64 0.00 0.00 175.55 176.00 1tpn s TRP 35 N 1.95 0.63 -0.38 0.00 -2.14 0.16 0.37 118.94 119.53 1tpn s TRP 35 Ca 0.04 -0.49 -0.28 0.00 2.66 0.00 0.00 56.10 58.03 1tpn s TRP 35 Cb -0.12 -0.38 0.02 0.00 -3.10 0.00 0.00 33.47 29.89 1tpn s TRP 35 CO -0.05 -0.09 1.04 0.00 -2.66 0.00 0.00 176.95 175.19 1tpn h ASN 37 N 8.52 0.00 0.00 0.00 -1.24 -1.91 0.24 115.58 121.19 1tpn h ASN 37 Ca -0.22 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1tpn h ASN 37 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1tpn h ASN 37 CO 1.04 0.05 0.00 -1.20 -1.29 0.00 0.00 177.43 176.03 1tpn n SER 38 N -2.40 0.00 0.00 1.15 7.64 -1.26 -4.81 113.62 113.94 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 0.47 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 0.00 -0.47 0.00 0.23 0.00 -1.26 -4.49 105.19 99.20 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 1.76 -2.78 1.61 1.85 -1.26 -4.87 116.66 112.97 1tpn n ARG 40 Ca 0.00 -1.18 -0.02 0.00 -1.00 0.00 0.00 57.85 55.66 1tpn n ARG 40 Cb 0.00 -0.98 -0.01 0.00 -1.05 0.00 0.00 32.46 30.42 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 -0.34 -3.16 -2.28 2.89 0.00 -1.26 -4.95 120.51 111.41 1tpn n ALA 41 Ca 0.00 0.92 -0.36 0.00 0.00 0.00 0.00 53.44 54.00 1tpn n ALA 41 Cb 0.19 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.17 4.09 0.15 0.00 -0.44 0.32 -4.87 119.66 117.73 1tpn s GLN 42 Ca -0.08 0.63 -0.13 0.00 -2.50 0.00 0.00 55.36 53.28 1tpn s GLN 42 Cb 0.01 -2.97 0.02 0.00 -1.64 0.00 0.00 33.01 28.42 1tpn s GLN 42 CO 0.62 0.49 0.37 0.00 0.50 0.00 0.00 175.29 177.27 1tpn s HIS 44 N -3.87 0.45 -0.04 0.00 -3.43 0.74 -4.99 115.29 104.15 1tpn s HIS 44 Ca 0.08 -0.93 -0.01 0.00 -0.80 0.00 0.00 55.06 53.40 1tpn s HIS 44 Cb 0.02 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1tpn s HIS 44 CO -0.06 -1.35 0.05 0.45 -2.00 0.00 0.00 174.74 171.83 1tpn s SER 45 N -3.11 0.87 -0.09 7.38 0.15 -1.26 0.07 113.70 117.70 1tpn s SER 45 Ca 0.21 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1tpn s SER 45 Cb -0.03 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1tpn s SER 45 CO 0.14 -0.22 -0.21 0.54 1.20 0.00 0.00 173.24 174.69 1tpn s VAL 46 N 1.87 1.84 1.33 4.45 0.11 -1.22 -5.00 120.40 123.77 1tpn s VAL 46 Ca 0.01 -0.89 -0.19 0.00 -2.93 0.00 0.00 61.98 57.99 1tpn s VAL 46 Cb -0.12 -1.61 0.33 0.00 -1.53 0.00 0.00 36.38 33.45 1tpn s VAL 46 CO -0.03 0.51 0.88 -0.81 -3.33 0.00 0.00 175.10 172.33 1tpn n PRO 47 N 3.62 -3.67 0.00 1.54 -0.04 -1.26 -3.54 135.00 131.65 1tpn n PRO 47 Ca -0.20 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1tpn n PRO 47 Cb 0.53 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1tpn n VAL 48 N -5.40 0.00 -1.57 0.52 3.14 -1.26 -4.81 118.33 108.95 1tpn n VAL 48 Ca 0.07 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 60.97 1tpn n VAL 48 Cb 0.57 -0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 32.71 1tpn n VAL 48 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1tpn n LYS 49 N -1.40 1.14 0.00 1.45 2.85 -1.26 -5.16 118.16 115.77 1tpn n LYS 49 Ca 0.00 0.41 0.00 0.00 -1.05 0.00 0.00 58.31 57.67 1tpn n LYS 49 Cb 0.30 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80