#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 1.99 -4.27 1.43 4.02 -1.26 -4.99 117.16 114.08 1tpn n TYR 2 Ca 0.00 0.48 -0.31 0.00 -0.01 0.00 0.00 57.90 58.05 1tpn n TYR 2 Cb 0.00 -2.34 -0.16 0.00 -0.02 0.00 0.00 39.34 36.82 1tpn n TYR 2 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1tpn s GLN 3 N -2.44 2.62 0.19 -0.72 -0.21 -1.26 -4.98 119.66 112.85 1tpn s GLN 3 Ca 0.65 -0.69 0.21 0.00 0.02 0.00 0.00 55.36 55.55 1tpn s GLN 3 Cb -0.47 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 1tpn s GLN 3 CO 0.54 -0.15 1.05 -0.39 -2.12 0.00 0.00 175.29 174.22 1tpn h VAL 4 N 5.96 0.15 -4.84 1.09 -1.51 -1.93 -3.30 116.25 111.86 1tpn h VAL 4 Ca -0.38 -1.28 -0.17 0.00 -1.23 0.00 0.00 66.70 63.65 1tpn h VAL 4 Cb 1.16 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 32.02 1tpn h VAL 4 CO 0.56 0.08 -0.02 2.30 -1.23 0.00 0.00 177.57 179.26 1tpn n ILE 5 N -2.78 0.00 -3.56 7.19 -5.35 -1.26 -1.25 119.36 112.35 1tpn n ILE 5 Ca -0.02 -0.67 -0.14 0.00 -0.27 0.00 0.00 62.75 61.66 1tpn n ILE 5 Cb 0.62 -0.86 -0.12 0.00 -1.74 0.00 0.00 39.64 37.55 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 2.43 3.85 -0.25 0.00 3.52 -1.26 -0.96 118.95 126.29 1tpn s ARG 7 Ca 0.05 0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.84 1tpn s ARG 7 Cb -0.14 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 1tpn s ARG 7 CO -0.11 -0.66 0.27 0.34 -0.81 0.00 0.00 175.30 174.32 1tpn s ASP 8 N 1.69 6.18 0.00 -2.12 -1.08 -0.82 -4.95 116.67 115.57 1tpn s ASP 8 Ca 0.27 0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.80 1tpn s ASP 8 Cb -0.14 -2.16 1.35 0.00 -1.46 0.00 0.00 42.92 40.50 1tpn s ASP 8 CO 0.13 -0.06 1.92 -1.84 0.52 0.00 0.00 175.17 175.84 1tpn n GLU 9 N 4.79 1.03 0.06 4.34 0.28 -1.26 0.84 120.64 130.72 1tpn n GLU 9 Ca -0.12 -0.37 0.13 0.00 -0.16 0.00 0.00 57.16 56.64 1tpn n GLU 9 Cb 0.51 -1.49 0.38 0.00 1.43 0.00 0.00 31.44 32.27 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 -0.67 0.18 0.00 3.44 3.00 -1.26 -4.13 118.16 118.73 1tpn n LYS 10 Ca 0.18 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1tpn n LYS 10 Cb 0.26 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.61 1tpn n LYS 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1tpn n THR 11 N -1.98 0.00 -2.46 3.15 5.66 -1.22 -5.00 114.28 112.43 1tpn n THR 11 Ca 0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.92 1tpn n THR 11 Cb 0.40 0.70 0.01 0.00 -1.55 0.00 0.00 70.33 69.89 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 -1.95 -4.73 1.09 0.00 0.25 -4.99 117.38 107.04 1tpn n GLN 12 Ca 0.00 0.62 -0.33 0.00 -0.00 0.00 0.00 57.00 57.29 1tpn n GLN 12 Cb 0.00 -4.84 -0.14 0.00 0.00 0.00 0.00 30.24 25.26 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 -4.92 3.36 0.09 3.69 1.75 -0.93 -4.89 119.30 117.45 1tpn s MET 13 Ca 0.08 -0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 53.77 1tpn s MET 13 Cb -0.04 -2.65 -0.06 0.00 2.84 0.00 0.00 34.83 34.92 1tpn s MET 13 CO 0.10 0.25 0.41 0.42 -0.65 0.00 0.00 175.02 175.55 1tpn s ILE 14 N 0.26 5.09 0.29 10.11 1.01 -1.26 -1.95 121.20 134.76 1tpn s ILE 14 Ca -0.08 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.04 1tpn s ILE 14 Cb -0.15 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1tpn s ILE 14 CO 0.05 0.25 -0.00 -0.31 0.00 0.00 0.00 174.94 174.92 1tpn s TYR 15 N -1.45 1.92 0.40 3.97 2.02 -0.13 -4.92 117.35 119.16 1tpn s TYR 15 Ca 0.35 -0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 1tpn s TYR 15 Cb -0.14 -1.17 0.09 0.00 -0.40 0.00 0.00 41.96 40.34 1tpn s TYR 15 CO 0.19 0.14 0.55 1.04 -1.57 0.00 0.00 175.55 175.89 1tpn n GLN 16 N -0.61 -0.15 -2.34 -0.62 6.02 -1.26 -0.21 117.38 118.21 1tpn n GLN 16 Ca -0.04 -1.14 -0.38 0.00 -0.01 0.00 0.00 57.00 55.43 1tpn n GLN 16 Cb 0.65 -0.47 -0.02 0.00 1.02 0.00 0.00 30.24 31.41 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 -4.01 4.06 -1.41 -1.09 0.74 -0.38 -2.85 119.66 114.71 1tpn s GLN 17 Ca 0.33 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.52 1tpn s GLN 17 Cb -0.01 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.45 1tpn s GLN 17 CO 0.23 -0.30 0.00 0.72 -0.55 0.00 0.00 175.29 175.39 1tpn n HIS 18 N 0.03 -0.33 -3.24 1.67 8.25 0.72 -4.89 115.22 117.42 1tpn n HIS 18 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1tpn n HIS 18 Cb 0.47 -2.60 -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 -3.11 4.24 -0.07 -0.41 0.74 -1.13 -4.76 119.66 115.16 1tpn s GLN 19 Ca 0.00 0.47 -0.16 0.00 0.05 0.00 0.00 55.36 55.72 1tpn s GLN 19 Cb 0.00 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 1tpn s GLN 19 CO 0.00 -0.07 0.43 -1.54 -0.55 0.00 0.00 175.29 173.55 1tpn s SER 20 N 1.01 6.72 -0.13 6.67 1.04 -1.26 -2.51 113.70 125.23 1tpn s SER 20 Ca 0.26 0.85 -0.05 0.00 0.48 0.00 0.00 55.95 57.48 1tpn s SER 20 Cb -0.15 -2.26 0.06 0.00 0.10 0.00 0.00 66.02 63.77 1tpn s SER 20 CO 0.10 0.16 0.28 -1.66 0.98 0.00 0.00 173.24 173.10 1tpn s TRP 21 N -0.16 -0.44 0.50 5.02 -2.14 0.43 -4.98 118.94 117.16 1tpn s TRP 21 Ca 0.24 1.00 -0.18 0.00 2.66 0.00 0.00 56.10 59.82 1tpn s TRP 21 Cb -0.16 0.03 -0.08 0.00 -3.10 0.00 0.00 33.47 30.16 1tpn s TRP 21 CO 0.11 -0.34 0.99 -0.51 -2.66 0.00 0.00 176.95 174.54 1tpn s LEU 22 N 2.13 3.71 0.31 -4.66 2.01 -1.26 -2.23 118.68 118.69 1tpn s LEU 22 Ca -0.02 1.67 0.08 0.00 0.01 0.00 0.00 54.13 55.87 1tpn s LEU 22 Cb -0.11 -4.53 -0.06 0.00 0.01 0.00 0.00 46.19 41.50 1tpn s LEU 22 CO -0.09 -0.63 -0.07 -0.13 1.01 0.00 0.00 176.35 176.44 1tpn s ARG 23 N -3.76 1.67 1.12 1.70 3.00 0.11 -4.91 118.95 117.87 1tpn s ARG 23 Ca 0.61 -1.85 -0.17 0.00 0.00 0.00 0.00 55.73 54.32 1tpn s ARG 23 Cb -0.11 -1.38 0.17 0.00 0.00 0.00 0.00 34.95 33.63 1tpn s ARG 23 CO 0.26 0.07 0.25 -2.30 0.00 0.00 0.00 175.30 173.58 1tpn n PRO 24 N -0.68 -2.30 -2.97 3.54 -0.02 -1.26 -2.36 135.00 128.96 1tpn n PRO 24 Ca -0.05 -0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 60.45 1tpn n PRO 24 Cb 0.64 -1.63 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 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 4.73 0.00 -1.45 -7.23 -1.26 -3.32 120.40 109.72 1tpn s VAL 25 Ca 0.49 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 61.44 1tpn s VAL 25 Cb -0.09 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1tpn s VAL 25 CO 0.51 -0.38 0.93 0.18 -0.31 0.00 0.00 175.10 176.03 1tpn n LEU 26 N -0.90 0.00 0.00 1.32 4.77 -1.26 -4.77 117.00 116.16 1tpn n LEU 26 Ca 0.03 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1tpn n LEU 26 Cb 0.54 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1tpn n LEU 26 CO 0.45 -0.43 0.00 0.54 -1.33 0.00 0.00 177.39 176.62 1tpn n ARG 27 N -1.87 1.73 0.00 3.23 1.74 -1.26 -5.07 116.66 115.16 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 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.30 0.55 7.64 -1.26 -5.02 113.62 115.22 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 0.59 -3.01 0.00 0.00 175.04 172.62 1tpn n ASN 29 N 0.00 0.00 -2.98 6.43 3.02 -1.26 -4.99 115.26 115.48 1tpn n ASN 29 Ca 0.00 -1.51 -0.15 0.00 -0.03 0.00 0.00 54.58 52.89 1tpn n ASN 29 Cb 0.00 -0.10 0.11 0.00 -0.61 0.00 0.00 39.78 39.18 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1tpn n ARG 30 N 0.00 -0.83 -4.54 3.52 1.74 -1.26 -4.72 116.66 110.56 1tpn n ARG 30 Ca 0.00 -1.03 -0.23 0.00 -0.77 0.00 0.00 57.85 55.82 1tpn n ARG 30 Cb 0.60 -0.72 -0.16 0.00 -1.02 0.00 0.00 32.46 31.17 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 -2.43 1.03 -0.28 1.55 -7.23 -1.25 -4.04 120.40 107.76 1tpn s VAL 31 Ca 0.38 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.88 1tpn s VAL 31 Cb -0.01 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 1tpn s VAL 31 CO 0.27 0.32 0.64 -0.70 -0.31 0.00 0.00 175.10 175.32 1tpn s GLU 32 N 0.35 4.02 -0.06 4.82 2.12 -1.00 -3.20 118.70 125.75 1tpn s GLU 32 Ca -0.07 0.45 -0.21 0.00 0.36 0.00 0.00 54.97 55.49 1tpn s GLU 32 Cb -0.12 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1tpn s GLU 32 CO 0.02 -0.49 0.60 -0.47 -0.54 0.00 0.00 175.26 174.38 1tpn s TYR 33 N 2.57 3.59 -0.13 5.30 6.14 0.12 0.04 117.35 134.97 1tpn s TYR 33 Ca 0.26 1.13 -0.04 0.00 0.64 0.00 0.00 57.07 59.06 1tpn s TYR 33 Cb -0.15 -2.67 0.06 0.00 0.42 0.00 0.00 41.96 39.61 1tpn s TYR 33 CO 0.10 0.19 0.10 0.00 0.64 0.00 0.00 175.55 176.58 1tpn s TRP 35 N 2.18 1.29 -0.40 0.00 -2.14 0.19 -0.43 118.94 119.64 1tpn s TRP 35 Ca 0.03 -0.50 -0.27 0.00 2.66 0.00 0.00 56.10 58.03 1tpn s TRP 35 Cb -0.15 -0.71 0.02 0.00 -3.10 0.00 0.00 33.47 29.54 1tpn s TRP 35 CO -0.08 0.09 0.98 0.00 -2.66 0.00 0.00 176.95 175.28 1tpn h ASN 37 N 8.67 0.00 0.00 0.00 -0.00 -1.91 0.20 115.58 122.54 1tpn h ASN 37 Ca -0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 1tpn h ASN 37 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.39 1tpn h ASN 37 CO 1.02 0.03 0.00 -0.24 -0.00 0.00 0.00 177.43 178.24 1tpn n SER 38 N -2.53 0.00 0.00 1.15 2.88 -1.26 -4.82 113.62 109.04 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1tpn n SER 38 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1tpn n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tpn n GLY 39 N 0.00 0.01 0.00 0.46 0.00 -1.24 -4.43 105.19 99.99 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 4.72 -2.20 1.61 1.85 -1.26 -4.82 116.66 116.56 1tpn n ARG 40 Ca 0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 57.85 56.76 1tpn n ARG 40 Cb 0.00 -0.52 -0.00 0.00 -1.05 0.00 0.00 32.46 30.88 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 -0.70 -3.31 -2.27 2.89 0.00 -1.26 -4.99 120.51 110.87 1tpn n ALA 41 Ca 0.00 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 1tpn n ALA 41 Cb 0.01 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.93 3.95 0.12 0.00 -0.44 0.39 -4.86 119.66 117.90 1tpn s GLN 42 Ca -0.03 0.52 -0.12 0.00 -2.50 0.00 0.00 55.36 53.24 1tpn s GLN 42 Cb 0.00 -2.64 0.01 0.00 -1.64 0.00 0.00 33.01 28.74 1tpn s GLN 42 CO 0.46 0.29 0.30 0.00 0.50 0.00 0.00 175.29 176.85 1tpn s HIS 44 N -3.86 -0.20 -0.24 0.00 -3.43 0.44 -4.98 115.29 103.01 1tpn s HIS 44 Ca 0.07 -0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.21 1tpn s HIS 44 Cb 0.03 0.35 0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1tpn s HIS 44 CO -0.08 -0.82 -0.08 0.45 -2.00 0.00 0.00 174.74 172.21 1tpn s SER 45 N -2.83 4.19 -0.27 7.38 0.15 -1.26 0.11 113.70 121.17 1tpn s SER 45 Ca 0.06 -0.87 0.03 0.00 0.70 0.00 0.00 55.95 55.86 1tpn s SER 45 Cb 0.00 -1.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.74 1tpn s SER 45 CO -0.08 -0.11 -0.09 0.54 1.20 0.00 0.00 173.24 174.70 1tpn s VAL 46 N 1.31 2.25 1.34 4.45 0.11 -1.19 -5.01 120.40 123.65 1tpn s VAL 46 Ca 0.00 -1.68 -0.20 0.00 -2.93 0.00 0.00 61.98 57.17 1tpn s VAL 46 Cb -0.16 -2.35 0.34 0.00 -1.53 0.00 0.00 36.38 32.67 1tpn s VAL 46 CO -0.05 -0.09 0.97 -2.16 -3.33 0.00 0.00 175.10 170.44 1tpn s PRO 47 N 1.10 -2.28 -0.00 1.54 0.05 -1.26 -3.83 135.00 130.31 1tpn s PRO 47 Ca -0.07 0.27 0.02 0.00 0.05 0.00 0.00 61.00 61.27 1tpn s PRO 47 Cb -0.20 -1.44 -0.03 0.00 0.05 0.00 0.00 34.50 32.88 1tpn s PRO 47 CO -0.05 -4.48 0.08 1.55 0.05 0.00 0.00 177.00 174.15 1tpn n VAL 48 N -5.37 0.00 -2.92 -0.36 3.14 -1.26 -4.90 118.33 106.66 1tpn n VAL 48 Ca 0.10 -0.32 -0.01 0.00 -2.96 0.00 0.00 64.34 61.15 1tpn n VAL 48 Cb 0.59 0.82 -0.01 0.00 -1.06 0.00 0.00 33.84 34.18 1tpn n VAL 48 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1tpn n LYS 49 N -1.22 -2.26 0.00 1.45 4.81 -1.26 -5.19 118.16 114.49 1tpn n LYS 49 Ca 0.00 1.96 0.00 0.00 -0.87 0.00 0.00 58.31 59.40 1tpn n LYS 49 Cb 0.04 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.27 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44