#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 1.54 0.28 7.33 2.02 -1.26 -4.99 117.35 122.28 1tpn s TYR 2 Ca 0.00 0.50 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 1tpn s TYR 2 Cb 0.00 -3.75 -0.10 0.00 -0.40 0.00 0.00 41.96 37.72 1tpn s TYR 2 CO 0.00 -2.89 1.16 1.14 -1.57 0.00 0.00 175.55 173.39 1tpn s GLN 3 N -5.61 4.55 0.00 -0.62 -2.07 -1.26 -4.90 119.66 109.75 1tpn s GLN 3 Ca 0.70 1.92 0.00 0.00 -1.82 0.00 0.00 55.36 56.16 1tpn s GLN 3 Cb -0.08 -3.17 0.00 0.00 -1.09 0.00 0.00 33.01 28.67 1tpn s GLN 3 CO 0.54 0.07 0.05 0.28 -1.32 0.00 0.00 175.29 174.91 1tpn n VAL 4 N 1.27 0.00 -3.59 3.63 0.31 -1.26 -4.81 118.33 113.89 1tpn n VAL 4 Ca -0.00 -0.13 -0.19 0.00 -0.01 0.00 0.00 64.34 64.02 1tpn n VAL 4 Cb 0.44 1.32 0.01 0.00 -0.91 0.00 0.00 33.84 34.70 1tpn n VAL 4 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1tpn n ILE 5 N -0.15 0.00 -3.54 2.52 -5.35 -1.26 -2.29 119.36 109.29 1tpn n ILE 5 Ca 0.00 -1.63 -0.23 0.00 -0.27 0.00 0.00 62.75 60.63 1tpn n ILE 5 Cb 0.08 -0.27 -0.15 0.00 -1.74 0.00 0.00 39.64 37.57 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 2.23 3.63 -0.41 0.00 3.52 -1.26 -1.10 118.95 125.56 1tpn s ARG 7 Ca 0.05 0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.61 1tpn s ARG 7 Cb -0.16 -3.85 0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1tpn s ARG 7 CO -0.15 -0.90 0.45 0.34 -0.81 0.00 0.00 175.30 174.22 1tpn s ASP 8 N 1.91 6.21 0.00 -2.12 2.15 -0.86 -4.91 116.67 119.06 1tpn s ASP 8 Ca 0.29 -0.55 0.25 0.00 0.43 0.00 0.00 52.55 52.98 1tpn s ASP 8 Cb -0.13 -2.23 1.51 0.00 -0.30 0.00 0.00 42.92 41.76 1tpn s ASP 8 CO 0.18 -0.56 1.91 -1.84 -0.17 0.00 0.00 175.17 174.69 1tpn n GLU 9 N 5.64 0.90 0.06 4.34 0.28 -1.26 0.65 120.64 131.25 1tpn n GLU 9 Ca -0.07 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.06 1tpn n GLU 9 Cb 0.48 -1.44 0.35 0.00 1.43 0.00 0.00 31.44 32.26 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 -0.94 0.21 0.00 3.44 4.01 -1.26 -4.21 118.16 119.40 1tpn n LYS 10 Ca 0.19 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1tpn n LYS 10 Cb 0.09 -1.69 0.00 0.00 -0.51 0.00 0.00 35.03 32.92 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 -2.02 0.00 -2.43 -0.18 5.66 -1.14 -5.02 114.28 109.15 1tpn n THR 11 Ca 0.05 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.00 1tpn n THR 11 Cb 0.41 0.30 0.01 0.00 -1.55 0.00 0.00 70.33 69.50 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 -1.09 -5.14 1.09 7.27 0.21 -5.03 117.38 114.68 1tpn n GLN 12 Ca 0.00 0.20 -0.32 0.00 0.07 0.00 0.00 57.00 56.95 1tpn n GLN 12 Cb 0.00 -3.58 -0.17 0.00 2.41 0.00 0.00 30.24 28.90 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 -4.79 3.09 0.02 3.69 1.75 -1.01 -4.93 119.30 117.11 1tpn s MET 13 Ca 0.07 -0.86 -0.07 0.00 -1.25 0.00 0.00 55.69 53.58 1tpn s MET 13 Cb -0.03 -2.34 -0.05 0.00 2.84 0.00 0.00 34.83 35.25 1tpn s MET 13 CO 0.08 0.17 0.28 0.42 -0.65 0.00 0.00 175.02 175.33 1tpn s ILE 14 N 0.36 5.28 0.28 10.11 1.01 -1.26 -2.04 121.20 134.94 1tpn s ILE 14 Ca -0.18 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1tpn s ILE 14 Cb -0.18 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1tpn s ILE 14 CO 0.08 0.35 0.02 -0.31 0.00 0.00 0.00 174.94 175.08 1tpn s TYR 15 N -1.31 1.78 0.00 3.97 1.51 -0.26 -4.91 117.35 118.13 1tpn s TYR 15 Ca 0.28 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1tpn s TYR 15 Cb -0.13 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1tpn s TYR 15 CO 0.16 0.02 0.00 1.04 -1.11 0.00 0.00 175.55 175.66 1tpn n GLN 16 N -0.55 1.18 -3.07 -0.62 6.02 -1.26 0.60 117.38 119.68 1tpn n GLN 16 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.58 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 -0.15 4.34 -1.94 -1.09 0.74 -0.97 -3.74 119.66 116.86 1tpn s GLN 17 Ca 0.00 0.95 0.00 0.00 0.05 0.00 0.00 55.36 56.36 1tpn s GLN 17 Cb 0.00 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.11 1tpn s GLN 17 CO 0.00 0.45 0.00 0.72 -0.55 0.00 0.00 175.29 175.91 1tpn n HIS 18 N 1.01 -0.23 -3.46 1.67 8.25 0.18 -4.93 115.22 117.71 1tpn n HIS 18 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 1tpn n HIS 18 Cb 0.50 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 28.24 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 -3.77 4.09 -0.04 -0.41 0.74 -1.24 -4.80 119.66 114.23 1tpn s GLN 19 Ca 0.00 0.02 -0.17 0.00 0.05 0.00 0.00 55.36 55.25 1tpn s GLN 19 Cb 0.00 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1tpn s GLN 19 CO 0.00 -0.09 0.48 -1.54 -0.55 0.00 0.00 175.29 173.59 1tpn s SER 20 N 1.25 6.82 -0.08 6.67 1.04 -1.26 -2.72 113.70 125.41 1tpn s SER 20 Ca 0.14 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.51 1tpn s SER 20 Cb -0.15 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1tpn s SER 20 CO 0.08 0.16 0.15 -1.66 0.98 0.00 0.00 173.24 172.95 1tpn s TRP 21 N -0.29 -0.16 0.45 5.02 -2.14 0.90 -4.98 118.94 117.74 1tpn s TRP 21 Ca 0.26 0.57 -0.21 0.00 2.66 0.00 0.00 56.10 59.39 1tpn s TRP 21 Cb -0.17 -0.27 -0.10 0.00 -3.10 0.00 0.00 33.47 29.84 1tpn s TRP 21 CO 0.13 -0.26 0.98 -0.51 -2.66 0.00 0.00 176.95 174.64 1tpn s LEU 22 N 2.20 3.90 0.11 -4.66 2.01 -1.26 -2.30 118.68 118.68 1tpn s LEU 22 Ca 0.02 1.76 0.07 0.00 0.01 0.00 0.00 54.13 56.00 1tpn s LEU 22 Cb -0.12 -4.55 -0.04 0.00 0.01 0.00 0.00 46.19 41.50 1tpn s LEU 22 CO -0.06 -0.51 -0.17 -0.13 1.01 0.00 0.00 176.35 176.50 1tpn s ARG 23 N -3.23 1.04 1.02 1.70 0.52 0.96 -4.93 118.95 116.03 1tpn s ARG 23 Ca 0.64 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 1tpn s ARG 23 Cb -0.11 -1.09 -0.07 0.00 0.52 0.00 0.00 34.95 34.20 1tpn s ARG 23 CO 0.16 0.23 -0.87 -2.30 0.02 0.00 0.00 175.30 172.54 1tpn n PRO 24 N 0.84 -0.66 -2.40 3.54 -0.02 -1.26 -1.85 135.00 133.19 1tpn n PRO 24 Ca -0.18 -0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 60.87 1tpn n PRO 24 Cb 0.55 -1.25 0.09 0.00 -0.02 0.00 0.00 33.50 32.86 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 -2.08 2.29 0.00 -1.45 -7.23 -1.26 -3.80 120.40 106.87 1tpn s VAL 25 Ca 0.41 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1tpn s VAL 25 Cb 0.02 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1tpn s VAL 25 CO 0.61 0.00 0.20 0.18 -0.31 0.00 0.00 175.10 175.78 1tpn n LEU 26 N -2.85 0.35 0.00 1.32 4.32 -1.26 -4.89 117.00 113.99 1tpn n LEU 26 Ca 0.11 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 1tpn n LEU 26 Cb 0.60 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1tpn n LEU 26 CO 0.47 -0.43 0.00 -2.11 -1.22 0.00 0.00 177.39 174.10 1tpn n ARG 27 N -1.78 2.00 0.00 3.23 1.85 -1.26 -5.08 116.66 115.63 1tpn n ARG 27 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1tpn n ARG 27 Cb 0.00 -0.17 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 1tpn n ARG 27 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1tpn n SER 28 N 0.00 0.00 -0.12 2.89 7.64 -1.26 -5.03 113.62 117.74 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 -0.46 -3.01 0.00 0.00 175.04 171.57 1tpn n ASN 29 N 0.00 0.04 -3.01 6.43 2.04 -1.26 -5.00 115.26 114.51 1tpn n ASN 29 Ca 0.00 -1.27 -0.15 0.00 -0.44 0.00 0.00 54.58 52.72 1tpn n ASN 29 Cb 0.00 -0.05 0.12 0.00 -2.53 0.00 0.00 39.78 37.32 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1tpn n ARG 30 N -0.02 -1.53 -4.10 -3.83 1.74 -1.26 -4.68 116.66 102.98 1tpn n ARG 30 Ca 0.00 -0.94 -0.17 0.00 -0.77 0.00 0.00 57.85 55.97 1tpn n ARG 30 Cb 0.55 -0.77 -0.15 0.00 -1.02 0.00 0.00 32.46 31.06 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 -2.18 0.37 -0.42 1.55 -7.23 -1.26 -4.20 120.40 107.03 1tpn s VAL 31 Ca 0.37 -0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 60.19 1tpn s VAL 31 Cb -0.03 -0.35 0.02 0.00 0.56 0.00 0.00 36.38 36.58 1tpn s VAL 31 CO 0.27 0.13 0.68 -1.61 -0.31 0.00 0.00 175.10 174.27 1tpn s GLU 32 N 0.28 3.42 -0.37 4.82 8.01 -0.77 -3.58 118.70 130.50 1tpn s GLU 32 Ca -0.03 -0.19 -0.21 0.00 0.01 0.00 0.00 54.97 54.55 1tpn s GLU 32 Cb -0.06 -3.91 0.01 0.00 -4.31 0.00 0.00 34.13 25.85 1tpn s GLU 32 CO -0.00 -0.97 0.67 -0.47 0.01 0.00 0.00 175.26 174.51 1tpn s TYR 33 N 2.91 3.12 -0.13 1.61 6.14 -0.29 -0.03 117.35 130.69 1tpn s TYR 33 Ca 0.25 0.34 0.01 0.00 0.64 0.00 0.00 57.07 58.30 1tpn s TYR 33 Cb -0.14 -3.24 0.02 0.00 0.42 0.00 0.00 41.96 39.02 1tpn s TYR 33 CO 0.19 -0.69 -0.13 0.00 0.64 0.00 0.00 175.55 175.55 1tpn s TRP 35 N 1.41 0.87 -0.33 0.00 -2.14 0.26 -0.07 118.94 118.94 1tpn s TRP 35 Ca 0.02 -0.36 -0.27 0.00 2.66 0.00 0.00 56.10 58.14 1tpn s TRP 35 Cb -0.13 -0.52 0.01 0.00 -3.10 0.00 0.00 33.47 29.73 1tpn s TRP 35 CO -0.08 -0.02 0.98 0.00 -2.66 0.00 0.00 176.95 175.18 1tpn h ASN 37 N 8.19 0.00 0.00 0.00 -0.73 -1.92 0.51 115.58 121.63 1tpn h ASN 37 Ca -0.22 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.85 1tpn h ASN 37 Cb 1.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.66 1tpn h ASN 37 CO 0.99 0.05 0.00 -1.54 -0.37 0.00 0.00 177.43 176.56 1tpn n SER 38 N -2.44 0.00 0.00 1.15 3.41 -1.26 -4.77 113.62 109.71 1tpn n SER 38 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1tpn n SER 38 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.06 -0.44 0.50 5.00 0.00 -1.26 -4.53 105.19 104.39 1tpn n GLY 39 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 1.17 -2.80 1.61 1.85 -1.26 -4.84 116.66 112.39 1tpn n ARG 40 Ca 0.00 -1.40 -0.00 0.00 -1.00 0.00 0.00 57.85 55.44 1tpn n ARG 40 Cb 0.00 -1.23 -0.00 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 0.60 -3.21 -2.31 2.89 0.00 -1.26 -4.96 120.51 112.26 1tpn n ALA 41 Ca 0.08 0.55 -0.34 0.00 0.00 0.00 0.00 53.44 53.73 1tpn n ALA 41 Cb 0.32 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.43 3.97 0.22 0.00 -0.44 0.34 -4.85 119.66 117.47 1tpn s GLN 42 Ca -0.02 0.51 -0.13 0.00 -2.50 0.00 0.00 55.36 53.21 1tpn s GLN 42 Cb 0.00 -2.79 0.00 0.00 -1.64 0.00 0.00 33.01 28.58 1tpn s GLN 42 CO 0.64 0.39 0.44 0.00 0.50 0.00 0.00 175.29 177.26 1tpn s HIS 44 N -3.98 -0.40 -0.38 0.00 -3.43 0.65 -4.99 115.29 102.77 1tpn s HIS 44 Ca 0.18 0.36 -0.06 0.00 -0.80 0.00 0.00 55.06 54.74 1tpn s HIS 44 Cb 0.00 0.35 0.07 0.00 -1.43 0.00 0.00 32.58 31.57 1tpn s HIS 44 CO 0.04 -0.67 0.17 0.45 -2.00 0.00 0.00 174.74 172.73 1tpn s SER 45 N -2.18 5.36 -0.29 7.38 0.15 -1.26 -1.14 113.70 121.72 1tpn s SER 45 Ca -0.03 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1tpn s SER 45 Cb -0.00 -1.88 0.06 0.00 -1.71 0.00 0.00 66.02 62.48 1tpn s SER 45 CO -0.05 -0.45 -0.04 -0.69 1.20 0.00 0.00 173.24 173.21 1tpn s VAL 46 N 1.32 2.66 1.32 4.45 1.01 -1.23 -5.00 120.40 124.93 1tpn s VAL 46 Ca 0.02 -1.51 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 1tpn s VAL 46 Cb -0.22 -2.55 0.32 0.00 0.00 0.00 0.00 36.38 33.93 1tpn s VAL 46 CO 0.00 -0.09 0.79 -2.65 0.00 0.00 0.00 175.10 173.15 1tpn n PRO 47 N 4.54 -3.67 -1.70 2.72 -0.02 -1.26 -4.17 135.00 131.45 1tpn n PRO 47 Ca -0.13 -1.07 -0.32 0.00 -2.02 0.00 0.00 63.50 59.95 1tpn n PRO 47 Cb 0.43 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1tpn n VAL 48 N -5.34 3.64 -3.64 -1.45 3.14 -1.26 -4.82 118.33 108.59 1tpn n VAL 48 Ca 0.08 -3.59 -0.24 0.00 -2.96 0.00 0.00 64.34 57.64 1tpn n VAL 48 Cb 0.56 -1.52 0.01 0.00 -1.06 0.00 0.00 33.84 31.83 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 0.47 -1.26 0.00 1.45 4.81 -1.26 -5.18 118.16 117.19 1tpn n LYS 49 Ca 0.51 0.76 0.16 0.00 -0.87 0.00 0.00 58.31 58.87 1tpn n LYS 49 Cb 0.42 -3.50 0.95 0.00 0.02 0.00 0.00 35.03 32.92 1tpn n LYS 49 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00