#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpn s TYR 2 N 0.00 0.70 0.06 1.43 2.02 -1.26 -5.11 117.35 115.19 1tpn s TYR 2 Ca 0.00 -1.03 -0.35 0.00 -0.37 0.00 0.00 57.07 55.31 1tpn s TYR 2 Cb 0.00 0.11 -0.15 0.00 -0.40 0.00 0.00 41.96 41.52 1tpn s TYR 2 CO 0.00 -1.12 1.55 1.04 -1.57 0.00 0.00 175.55 175.45 1tpn n GLN 3 N -0.48 1.72 0.16 -0.62 3.00 -1.26 -4.84 117.38 115.05 1tpn n GLN 3 Ca -0.01 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.72 1tpn n GLN 3 Cb 0.62 -2.35 0.14 0.00 0.00 0.00 0.00 30.24 28.64 1tpn n GLN 3 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1tpn h VAL 4 N 3.89 0.00 -4.60 5.09 -1.51 -1.96 -3.28 116.25 113.88 1tpn h VAL 4 Ca -0.46 -0.92 -0.33 0.00 -1.23 0.00 0.00 66.70 63.76 1tpn h VAL 4 Cb 1.29 1.73 0.07 0.00 -2.13 0.00 0.00 31.29 32.25 1tpn h VAL 4 CO 0.86 0.00 0.13 2.30 -1.23 0.00 0.00 177.57 179.63 1tpn n ILE 5 N -2.82 0.00 -3.57 7.19 -5.35 -1.26 -2.09 119.36 111.46 1tpn n ILE 5 Ca 0.03 -1.05 -0.16 0.00 -0.27 0.00 0.00 62.75 61.29 1tpn n ILE 5 Cb 0.52 -1.15 -0.13 0.00 -1.74 0.00 0.00 39.64 37.14 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 2.36 3.65 -0.27 0.00 3.52 -1.26 -1.09 118.95 125.87 1tpn s ARG 7 Ca 0.05 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.63 1tpn s ARG 7 Cb -0.14 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 1tpn s ARG 7 CO -0.10 -0.82 0.18 0.34 -0.81 0.00 0.00 175.30 174.09 1tpn s ASP 8 N 1.85 6.03 0.00 -2.12 2.15 -1.06 -4.95 116.67 118.56 1tpn s ASP 8 Ca 0.27 0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.55 1tpn s ASP 8 Cb -0.14 -2.11 1.19 0.00 -0.30 0.00 0.00 42.92 41.56 1tpn s ASP 8 CO 0.16 -0.02 1.82 -1.84 -0.17 0.00 0.00 175.17 175.13 1tpn n GLU 9 N 4.85 1.18 0.04 4.34 0.28 -1.26 -0.16 120.64 129.91 1tpn n GLU 9 Ca -0.14 -0.54 0.13 0.00 -0.16 0.00 0.00 57.16 56.44 1tpn n GLU 9 Cb 0.52 -1.49 0.41 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.44 0.13 0.00 3.44 4.01 -1.26 -4.04 118.16 120.01 1tpn n LYS 10 Ca 0.18 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1tpn n LYS 10 Cb 0.29 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 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 -1.84 0.00 -3.30 -0.18 5.66 -1.23 -5.02 114.28 108.37 1tpn n THR 11 Ca 0.06 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 1tpn n THR 11 Cb 0.39 0.77 0.07 0.00 -1.55 0.00 0.00 70.33 70.00 1tpn n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tpn n GLN 12 N 0.00 -6.05 -4.31 1.09 6.02 0.78 -5.01 117.38 109.90 1tpn n GLN 12 Ca 0.00 0.70 -0.21 0.00 -0.01 0.00 0.00 57.00 57.48 1tpn n GLN 12 Cb 0.00 -5.32 -0.16 0.00 1.02 0.00 0.00 30.24 25.78 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 -5.58 1.11 0.03 -1.09 1.75 -0.96 -4.97 119.30 109.60 1tpn s MET 13 Ca 0.22 -0.21 -0.15 0.00 -1.25 0.00 0.00 55.69 54.31 1tpn s MET 13 Cb -0.10 -1.01 -0.06 0.00 2.84 0.00 0.00 34.83 36.50 1tpn s MET 13 CO 0.61 -0.04 0.44 0.42 -0.65 0.00 0.00 175.02 175.80 1tpn s ILE 14 N 0.81 4.98 0.43 10.11 1.01 -1.26 -2.58 121.20 134.70 1tpn s ILE 14 Ca -0.13 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.43 1tpn s ILE 14 Cb -0.15 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1tpn s ILE 14 CO 0.01 0.51 0.03 -0.31 0.00 0.00 0.00 174.94 175.19 1tpn s TYR 15 N -1.15 2.42 0.00 3.97 2.02 -0.25 -4.91 117.35 119.45 1tpn s TYR 15 Ca 0.27 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1tpn s TYR 15 Cb -0.17 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1tpn s TYR 15 CO 0.15 0.38 0.00 1.04 -1.57 0.00 0.00 175.55 175.55 1tpn n GLN 16 N -1.05 0.93 -2.84 -0.62 6.02 -1.26 -0.69 117.38 117.88 1tpn n GLN 16 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 1tpn n GLN 16 Cb 0.67 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.86 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 -1.22 4.40 -1.30 -1.09 0.74 -0.89 -3.50 119.66 116.81 1tpn s GLN 17 Ca 0.00 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.60 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 0.17 0.00 0.72 -0.55 0.00 0.00 175.29 175.63 1tpn n HIS 18 N 0.10 -0.77 -3.53 1.67 8.25 0.02 -4.90 115.22 116.06 1tpn n HIS 18 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1tpn n HIS 18 Cb 0.52 -2.70 -0.08 0.00 1.12 0.00 0.00 29.99 28.84 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 -3.88 4.14 -0.08 -0.41 0.74 -1.23 -4.81 119.66 114.13 1tpn s GLN 19 Ca 0.00 -0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.22 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 0.04 0.41 -1.54 -0.55 0.00 0.00 175.29 173.65 1tpn s SER 20 N 0.98 6.69 -0.06 6.67 1.04 -1.26 -2.57 113.70 125.19 1tpn s SER 20 Ca 0.13 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.36 1tpn s SER 20 Cb -0.14 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1tpn s SER 20 CO 0.06 0.15 0.10 -1.66 0.98 0.00 0.00 173.24 172.87 1tpn s TRP 21 N -0.08 -0.06 0.71 5.02 -2.14 0.92 -4.98 118.94 118.33 1tpn s TRP 21 Ca 0.23 0.39 -0.11 0.00 2.66 0.00 0.00 56.10 59.27 1tpn s TRP 21 Cb -0.15 -0.30 0.02 0.00 -3.10 0.00 0.00 33.47 29.94 1tpn s TRP 21 CO 0.10 -0.19 1.08 -0.51 -2.66 0.00 0.00 176.95 174.77 1tpn s LEU 22 N 1.84 2.91 0.05 -4.66 2.01 -1.26 -1.82 118.68 117.75 1tpn s LEU 22 Ca -0.01 1.25 -0.01 0.00 0.01 0.00 0.00 54.13 55.38 1tpn s LEU 22 Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 46.19 41.98 1tpn s LEU 22 CO -0.04 -1.40 -0.02 -0.13 1.01 0.00 0.00 176.35 175.76 1tpn s ARG 23 N -5.26 0.59 1.09 1.70 0.52 0.21 -4.88 118.95 112.92 1tpn s ARG 23 Ca 0.58 -1.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.47 1tpn s ARG 23 Cb -0.12 0.20 0.14 0.00 0.52 0.00 0.00 34.95 35.69 1tpn s ARG 23 CO 0.53 -0.11 0.13 -2.30 0.02 0.00 0.00 175.30 173.57 1tpn n PRO 24 N 0.25 -2.04 -2.26 3.54 -0.02 -1.26 -1.87 135.00 131.34 1tpn n PRO 24 Ca -0.15 -0.59 -0.25 0.00 -2.02 0.00 0.00 63.50 60.48 1tpn n PRO 24 Cb 0.60 -1.59 0.07 0.00 -0.02 0.00 0.00 33.50 32.57 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 2.30 0.00 -1.45 -7.23 -1.26 -3.51 120.40 107.10 1tpn s VAL 25 Ca 0.47 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1tpn s VAL 25 Cb -0.08 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1tpn s VAL 25 CO 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.30 1tpn n LEU 26 N -2.89 2.80 0.00 1.32 -0.00 -1.26 -4.91 117.00 112.06 1tpn n LEU 26 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1tpn n LEU 26 Cb 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1tpn n LEU 26 CO 0.50 -0.01 0.00 0.54 -0.00 0.00 0.00 177.39 178.43 1tpn n ARG 27 N -0.57 0.09 0.00 1.47 1.74 -1.26 -5.05 116.66 113.08 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 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.01 0.00 -0.43 0.55 7.64 -1.26 -5.04 113.62 115.07 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 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.95 6.43 4.13 -1.26 -5.05 115.26 116.56 1tpn n ASN 29 Ca 0.00 -1.42 -0.13 0.00 1.68 0.00 0.00 54.58 54.72 1tpn n ASN 29 Cb 0.00 -0.08 0.08 0.00 -1.54 0.00 0.00 39.78 38.24 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 -0.34 -4.79 3.52 1.74 -1.26 -4.59 116.66 110.94 1tpn n ARG 30 Ca 0.00 -1.03 -0.24 0.00 -0.77 0.00 0.00 57.85 55.81 1tpn n ARG 30 Cb 0.58 -0.53 -0.15 0.00 -1.02 0.00 0.00 32.46 31.34 1tpn n ARG 30 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tpn s VAL 31 N -2.03 1.32 -0.30 1.55 1.01 -1.24 -4.11 120.40 116.60 1tpn s VAL 31 Ca 0.33 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1tpn s VAL 31 Cb -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1tpn s VAL 31 CO 0.23 0.37 0.52 -1.61 0.00 0.00 0.00 175.10 174.61 1tpn s GLU 32 N -0.32 3.89 -0.28 2.72 2.02 -0.78 -3.53 118.70 122.42 1tpn s GLU 32 Ca 0.05 0.13 -0.12 0.00 0.02 0.00 0.00 54.97 55.05 1tpn s GLU 32 Cb -0.07 -3.72 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 1tpn s GLU 32 CO -0.00 -0.48 0.21 -0.47 0.02 0.00 0.00 175.26 174.54 1tpn s TYR 33 N 2.37 3.23 -0.10 1.61 6.14 -0.79 0.66 117.35 130.47 1tpn s TYR 33 Ca 0.20 0.17 -0.00 0.00 0.64 0.00 0.00 57.07 58.07 1tpn s TYR 33 Cb -0.15 -2.40 0.02 0.00 0.42 0.00 0.00 41.96 39.85 1tpn s TYR 33 CO 0.11 -0.16 -0.07 0.00 0.64 0.00 0.00 175.55 176.08 1tpn s TRP 35 N 1.70 1.05 -0.25 0.00 -2.14 0.27 -0.06 118.94 119.52 1tpn s TRP 35 Ca 0.04 -0.40 -0.29 0.00 2.66 0.00 0.00 56.10 58.12 1tpn s TRP 35 Cb -0.13 -0.61 0.01 0.00 -3.10 0.00 0.00 33.47 29.64 1tpn s TRP 35 CO -0.07 0.01 1.04 0.00 -2.66 0.00 0.00 176.95 175.27 1tpn n ASN 37 N 6.46 0.63 0.00 0.00 2.85 -1.26 -0.80 115.26 123.14 1tpn n ASN 37 Ca 0.12 -0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1tpn n ASN 37 Cb 0.46 0.67 0.00 0.00 1.24 0.00 0.00 39.78 42.16 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tpn n SER 38 N -1.88 0.00 0.00 1.20 7.64 -1.26 -4.86 113.62 114.46 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 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.63 0.00 0.25 0.23 0.00 -1.24 -4.04 105.19 99.77 1tpn n GLY 39 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.84 -2.79 1.61 1.85 -1.26 -4.89 116.66 113.02 1tpn n ARG 40 Ca 0.00 -1.42 -0.02 0.00 -1.00 0.00 0.00 57.85 55.41 1tpn n ARG 40 Cb 0.00 -1.11 -0.02 0.00 -1.05 0.00 0.00 32.46 30.28 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 0.06 -3.04 -2.29 2.89 0.00 -1.26 -4.94 120.51 111.93 1tpn n ALA 41 Ca 0.04 1.06 -0.34 0.00 0.00 0.00 0.00 53.44 54.21 1tpn n ALA 41 Cb 0.26 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.99 3.98 0.17 0.00 -0.44 0.35 -4.86 119.66 117.86 1tpn s GLN 42 Ca -0.10 0.53 -0.13 0.00 -2.50 0.00 0.00 55.36 53.15 1tpn s GLN 42 Cb 0.01 -2.74 0.01 0.00 -1.64 0.00 0.00 33.01 28.65 1tpn s GLN 42 CO 0.58 0.35 0.39 0.00 0.50 0.00 0.00 175.29 177.11 1tpn s HIS 44 N -3.91 0.65 -0.10 0.00 -3.43 0.30 -4.99 115.29 103.80 1tpn s HIS 44 Ca 0.12 -1.06 0.01 0.00 -0.80 0.00 0.00 55.06 53.33 1tpn s HIS 44 Cb 0.01 0.30 0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1tpn s HIS 44 CO -0.03 -1.30 -0.12 -1.54 -2.00 0.00 0.00 174.74 169.75 1tpn s SER 45 N -3.16 2.22 -0.17 7.38 1.04 -1.26 -1.88 113.70 117.87 1tpn s SER 45 Ca 0.24 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 1tpn s SER 45 Cb -0.02 -0.95 0.05 0.00 0.10 0.00 0.00 66.02 65.19 1tpn s SER 45 CO 0.16 -0.04 -0.02 0.68 0.98 0.00 0.00 173.24 175.00 1tpn s VAL 46 N 1.22 0.92 1.38 5.02 -7.23 -1.23 -5.04 120.40 115.45 1tpn s VAL 46 Ca -0.03 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.34 1tpn s VAL 46 Cb -0.14 -1.19 0.36 0.00 0.56 0.00 0.00 36.38 35.96 1tpn s VAL 46 CO -0.04 0.03 0.94 -2.16 -0.31 0.00 0.00 175.10 173.56 1tpn s PRO 47 N 1.70 -2.64 0.03 4.82 0.05 -1.26 -3.64 135.00 134.05 1tpn s PRO 47 Ca 0.00 0.30 0.24 0.00 0.05 0.00 0.00 61.00 61.58 1tpn s PRO 47 Cb -0.16 -1.40 0.25 0.00 0.05 0.00 0.00 34.50 33.25 1tpn s PRO 47 CO -0.07 -4.73 1.22 1.55 0.05 0.00 0.00 177.00 175.02 1tpn n VAL 48 N -5.55 0.09 -3.33 -0.36 3.14 -1.26 -4.85 118.33 106.20 1tpn n VAL 48 Ca 0.10 -0.10 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1tpn n VAL 48 Cb 0.59 0.30 0.03 0.00 -1.06 0.00 0.00 33.84 33.69 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 -1.71 -1.72 0.00 1.45 3.00 -1.26 -5.19 118.16 112.73 1tpn n LYS 49 Ca 0.04 1.44 0.00 0.00 -0.00 0.00 0.00 58.31 59.79 1tpn n LYS 49 Cb 0.38 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.99 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85