#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 3.51 -0.48 0.66 1.51 -1.26 -5.05 117.35 116.25 1tpn s TYR 2 Ca 0.00 0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.62 1tpn s TYR 2 Cb 0.00 -2.02 0.28 0.00 -0.11 0.00 0.00 41.96 40.11 1tpn s TYR 2 CO 0.00 0.04 0.99 0.00 -1.11 0.00 0.00 175.55 175.47 1tpn n GLN 3 N -1.77 0.89 -0.02 -0.62 10.64 -1.26 -4.95 117.38 120.29 1tpn n GLN 3 Ca -0.03 -1.83 0.01 0.00 -1.83 0.00 0.00 57.00 53.32 1tpn n GLN 3 Cb 0.56 -1.27 0.03 0.00 -0.86 0.00 0.00 30.24 28.69 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1tpn n VAL 4 N 1.07 0.56 -3.17 -0.39 0.24 -1.26 -4.77 118.33 110.60 1tpn n VAL 4 Ca 0.08 -0.78 -0.18 0.00 -2.04 0.00 0.00 64.34 61.42 1tpn n VAL 4 Cb 0.66 0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 33.78 1tpn n VAL 4 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tpn s ILE 5 N -0.66 3.00 -0.07 1.34 -4.36 -1.26 0.85 121.20 120.04 1tpn s ILE 5 Ca 0.05 -1.08 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1tpn s ILE 5 Cb 0.03 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.75 1tpn s ILE 5 CO 0.04 -0.01 0.07 0.00 0.24 0.00 0.00 174.94 175.28 1tpn s ARG 7 N 2.17 3.78 -0.31 0.00 3.52 -1.26 -1.26 118.95 125.59 1tpn s ARG 7 Ca 0.04 0.28 -0.14 0.00 -0.13 0.00 0.00 55.73 55.78 1tpn s ARG 7 Cb -0.13 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1tpn s ARG 7 CO -0.04 -0.76 0.33 0.34 -0.81 0.00 0.00 175.30 174.36 1tpn s ASP 8 N 1.77 6.17 0.00 -2.12 2.15 -0.88 -4.93 116.67 118.84 1tpn s ASP 8 Ca 0.29 -0.04 0.28 0.00 0.43 0.00 0.00 52.55 53.51 1tpn s ASP 8 Cb -0.14 -2.19 1.40 0.00 -0.30 0.00 0.00 42.92 41.69 1tpn s ASP 8 CO 0.15 -0.24 1.93 -1.84 -0.17 0.00 0.00 175.17 175.00 1tpn n GLU 9 N 5.30 1.31 0.02 4.34 0.28 -1.26 0.14 120.64 130.78 1tpn n GLU 9 Ca -0.10 -0.46 0.13 0.00 -0.16 0.00 0.00 57.16 56.58 1tpn n GLU 9 Cb 0.50 -1.46 0.42 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 -0.42 0.08 0.00 3.44 3.00 -1.26 -4.19 118.16 118.81 1tpn n LYS 10 Ca 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1tpn n LYS 10 Cb 0.22 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.67 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 -1.70 0.00 -2.90 3.15 5.66 -1.21 -5.02 114.28 112.25 1tpn n THR 11 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 1tpn n THR 11 Cb 0.37 0.38 0.03 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.95 -4.64 1.09 6.02 0.12 -5.04 117.38 111.99 1tpn n GLN 12 Ca 0.00 0.31 -0.23 0.00 -0.01 0.00 0.00 57.00 57.06 1tpn n GLN 12 Cb 0.00 -3.75 -0.16 0.00 1.02 0.00 0.00 30.24 27.35 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 -5.48 1.41 0.06 -1.09 1.75 -0.96 -4.95 119.30 110.04 1tpn s MET 13 Ca 0.22 -0.47 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1tpn s MET 13 Cb -0.10 -1.26 -0.05 0.00 2.84 0.00 0.00 34.83 36.26 1tpn s MET 13 CO 0.27 0.18 0.37 0.42 -0.65 0.00 0.00 175.02 175.61 1tpn s ILE 14 N 0.11 5.15 0.36 10.11 1.01 -1.26 -2.06 121.20 134.61 1tpn s ILE 14 Ca -0.03 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.03 1tpn s ILE 14 Cb -0.10 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1tpn s ILE 14 CO 0.01 0.30 0.06 -0.31 0.00 0.00 0.00 174.94 175.00 1tpn s TYR 15 N -1.38 2.01 0.56 3.97 2.02 -0.39 -4.92 117.35 119.23 1tpn s TYR 15 Ca 0.32 -0.96 -0.05 0.00 -0.37 0.00 0.00 57.07 56.00 1tpn s TYR 15 Cb -0.14 -1.35 0.12 0.00 -0.40 0.00 0.00 41.96 40.20 1tpn s TYR 15 CO 0.18 0.04 0.77 1.04 -1.57 0.00 0.00 175.55 176.00 1tpn n GLN 16 N -0.78 -0.35 -2.48 -0.62 6.02 -1.26 -0.49 117.38 117.42 1tpn n GLN 16 Ca -0.04 -1.58 -0.36 0.00 -0.01 0.00 0.00 57.00 55.01 1tpn n GLN 16 Cb 0.66 -0.66 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -4.54 3.93 -1.47 -1.09 0.74 0.25 -3.03 119.66 114.45 1tpn s GLN 17 Ca 0.47 1.51 0.00 0.00 0.05 0.00 0.00 55.36 57.39 1tpn s GLN 17 Cb -0.02 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.75 1tpn s GLN 17 CO 0.32 -0.35 0.00 0.72 -0.55 0.00 0.00 175.29 175.43 1tpn n HIS 18 N -0.50 -0.42 -3.35 1.67 8.25 0.73 -4.90 115.22 116.70 1tpn n HIS 18 Ca 0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 1tpn n HIS 18 Cb 0.50 -2.70 -0.07 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 -3.35 4.20 -0.07 -0.41 0.74 -1.17 -4.78 119.66 114.82 1tpn s GLN 19 Ca 0.00 0.28 -0.16 0.00 0.05 0.00 0.00 55.36 55.53 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 -0.02 0.41 -1.54 -0.55 0.00 0.00 175.29 173.58 1tpn s SER 20 N 0.99 6.70 -0.10 6.67 1.04 -1.26 -2.53 113.70 125.21 1tpn s SER 20 Ca 0.21 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.44 1tpn s SER 20 Cb -0.15 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.78 1tpn s SER 20 CO 0.08 0.18 0.20 -1.66 0.98 0.00 0.00 173.24 173.03 1tpn s TRP 21 N -0.26 -0.28 0.69 5.02 -2.14 0.93 -4.98 118.94 117.92 1tpn s TRP 21 Ca 0.23 0.76 -0.11 0.00 2.66 0.00 0.00 56.10 59.64 1tpn s TRP 21 Cb -0.16 -0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.06 1tpn s TRP 21 CO 0.11 -0.30 1.06 -0.51 -2.66 0.00 0.00 176.95 174.65 1tpn s LEU 22 N 2.27 3.05 0.11 -4.66 2.01 -1.26 -2.10 118.68 118.10 1tpn s LEU 22 Ca 0.02 1.41 0.02 0.00 0.01 0.00 0.00 54.13 55.59 1tpn s LEU 22 Cb -0.12 -4.30 -0.04 0.00 0.01 0.00 0.00 46.19 41.74 1tpn s LEU 22 CO -0.07 -1.30 -0.07 -0.13 1.01 0.00 0.00 176.35 175.79 1tpn s ARG 23 N -5.17 0.88 1.08 1.70 0.52 0.12 -4.89 118.95 113.20 1tpn s ARG 23 Ca 0.57 -1.36 -0.21 0.00 -0.52 0.00 0.00 55.73 54.22 1tpn s ARG 23 Cb -0.12 -0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.09 1tpn s ARG 23 CO 0.54 -0.01 -0.40 -2.30 0.02 0.00 0.00 175.30 173.15 1tpn n PRO 24 N -0.07 -1.12 -2.52 3.54 -0.02 -1.26 -2.04 135.00 131.50 1tpn n PRO 24 Ca -0.12 -0.31 -0.24 0.00 -2.02 0.00 0.00 63.50 60.81 1tpn n PRO 24 Cb 0.61 -1.51 0.12 0.00 -0.02 0.00 0.00 33.50 32.69 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 -2.18 2.12 -0.01 -1.45 -7.23 -1.26 -3.59 120.40 106.80 1tpn s VAL 25 Ca 0.51 -0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1tpn s VAL 25 Cb -0.06 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 1tpn s VAL 25 CO 0.66 0.00 -0.00 -0.07 -0.31 0.00 0.00 175.10 175.38 1tpn h LEU 26 N -0.64 0.00 0.00 1.32 3.38 -1.95 -3.47 115.31 113.95 1tpn h LEU 26 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1tpn h LEU 26 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1tpn h LEU 26 CO 0.40 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.50 1tpn n ARG 27 N -2.16 0.78 0.00 1.13 1.74 -1.26 -5.08 116.66 111.81 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 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.24 0.55 7.64 -1.26 -5.03 113.62 115.28 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 -2.96 6.43 4.05 -1.26 -5.04 115.26 116.48 1tpn n ASN 29 Ca 0.00 -1.35 -0.15 0.00 0.45 0.00 0.00 54.58 53.53 1tpn n ASN 29 Cb 0.00 -0.07 0.10 0.00 1.23 0.00 0.00 39.78 41.04 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1tpn n ARG 30 N 0.00 -0.68 -3.87 1.20 1.74 -1.26 -4.26 116.66 109.53 1tpn n ARG 30 Ca 0.00 -1.03 -0.12 0.00 -0.77 0.00 0.00 57.85 55.93 1tpn n ARG 30 Cb 0.57 -0.69 -0.14 0.00 -1.02 0.00 0.00 32.46 31.18 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 -2.45 0.01 -0.25 1.55 -7.23 -1.23 -4.22 120.40 106.57 1tpn s VAL 31 Ca 0.38 -0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.27 1tpn s VAL 31 Cb -0.01 -0.06 -0.02 0.00 0.56 0.00 0.00 36.38 36.85 1tpn s VAL 31 CO 0.27 -0.04 0.66 -1.61 -0.31 0.00 0.00 175.10 174.06 1tpn s GLU 32 N -0.11 4.12 -0.23 4.82 8.01 -0.87 -3.40 118.70 131.04 1tpn s GLU 32 Ca -0.01 0.61 -0.16 0.00 0.01 0.00 0.00 54.97 55.41 1tpn s GLU 32 Cb -0.01 -3.65 -0.04 0.00 -4.31 0.00 0.00 34.13 26.13 1tpn s GLU 32 CO -0.00 -0.43 0.41 -0.47 0.01 0.00 0.00 175.26 174.78 1tpn s TYR 33 N 2.55 3.32 -0.10 1.61 6.14 0.91 0.16 117.35 131.95 1tpn s TYR 33 Ca 0.27 0.56 -0.01 0.00 0.64 0.00 0.00 57.07 58.53 1tpn s TYR 33 Cb -0.15 -2.57 0.03 0.00 0.42 0.00 0.00 41.96 39.69 1tpn s TYR 33 CO 0.08 -0.11 -0.01 0.00 0.64 0.00 0.00 175.55 176.15 1tpn s TRP 35 N 1.90 0.86 -0.41 0.00 -2.14 0.18 -0.05 118.94 119.27 1tpn s TRP 35 Ca 0.04 -0.47 -0.28 0.00 2.66 0.00 0.00 56.10 58.05 1tpn s TRP 35 Cb -0.13 -0.50 0.02 0.00 -3.10 0.00 0.00 33.47 29.77 1tpn s TRP 35 CO -0.06 -0.03 1.06 0.00 -2.66 0.00 0.00 176.95 175.26 1tpn h ASN 37 N 8.77 0.00 0.00 0.00 -1.24 -1.91 0.21 115.58 121.40 1tpn h ASN 37 Ca -0.22 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.68 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 1.07 0.05 0.00 -0.24 -1.29 0.00 0.00 177.43 177.02 1tpn n SER 38 N -2.38 0.00 0.00 1.15 2.88 -1.26 -4.83 113.62 109.18 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 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.02 -0.03 0.00 0.46 0.00 -1.26 -4.75 105.19 99.59 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 2.33 -2.89 1.61 1.85 -1.26 -4.87 116.66 113.43 1tpn n ARG 40 Ca 0.00 -1.28 -0.01 0.00 -1.00 0.00 0.00 57.85 55.56 1tpn n ARG 40 Cb 0.00 -0.89 -0.01 0.00 -1.05 0.00 0.00 32.46 30.51 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 -0.39 -2.78 -2.34 2.89 0.00 -1.26 -4.94 120.51 111.68 1tpn n ALA 41 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 53.44 53.72 1tpn n ALA 41 Cb 0.31 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.09 3.91 0.13 0.00 -0.44 0.29 -4.87 119.66 117.59 1tpn s GLN 42 Ca -0.05 0.43 -0.13 0.00 -2.50 0.00 0.00 55.36 53.11 1tpn s GLN 42 Cb 0.00 -2.71 0.02 0.00 -1.64 0.00 0.00 33.01 28.68 1tpn s GLN 42 CO 0.46 0.34 0.33 0.00 0.50 0.00 0.00 175.29 176.92 1tpn s HIS 44 N -3.85 0.11 -0.14 0.00 -3.43 0.75 -4.99 115.29 103.74 1tpn s HIS 44 Ca 0.06 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 53.82 1tpn s HIS 44 Cb 0.03 0.41 0.02 0.00 -1.43 0.00 0.00 32.58 31.61 1tpn s HIS 44 CO -0.09 -1.09 -0.12 -1.12 -2.00 0.00 0.00 174.74 170.32 1tpn s SER 45 N -2.97 2.51 -0.12 7.38 0.01 -1.26 -0.06 113.70 119.19 1tpn s SER 45 Ca 0.17 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1tpn s SER 45 Cb -0.03 -1.07 0.01 0.00 0.21 0.00 0.00 66.02 65.14 1tpn s SER 45 CO 0.07 -0.07 -0.22 0.54 0.41 0.00 0.00 173.24 173.97 1tpn s VAL 46 N 1.54 1.95 0.99 3.43 0.11 -1.22 -5.01 120.40 122.19 1tpn s VAL 46 Ca 0.04 -0.93 -0.13 0.00 -2.93 0.00 0.00 61.98 58.03 1tpn s VAL 46 Cb -0.13 -1.71 0.21 0.00 -1.53 0.00 0.00 36.38 33.22 1tpn s VAL 46 CO -0.10 0.53 0.47 -2.65 -3.33 0.00 0.00 175.10 170.03 1tpn n PRO 47 N 3.85 -1.92 0.21 1.54 -0.02 -1.26 -3.54 135.00 133.86 1tpn n PRO 47 Ca -0.20 -0.79 0.11 0.00 -2.02 0.00 0.00 63.50 60.61 1tpn n PRO 47 Cb 0.52 -1.41 0.68 0.00 -0.02 0.00 0.00 33.50 33.27 1tpn n PRO 47 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1tpn h VAL 48 N -2.87 0.88 -2.33 -1.45 3.04 -1.91 -3.42 116.25 108.19 1tpn h VAL 48 Ca -0.21 0.00 -0.56 0.00 -1.01 0.00 0.00 66.70 64.92 1tpn h VAL 48 Cb 0.72 0.94 0.03 0.00 -2.01 0.00 0.00 31.29 30.98 1tpn h VAL 48 CO 0.13 0.00 1.08 0.29 -1.01 0.00 0.00 177.57 178.06 1tpn n LYS 49 N -4.41 2.57 0.00 4.17 4.76 -1.26 -5.10 118.16 118.88 1tpn n LYS 49 Ca -0.00 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 1tpn n LYS 49 Cb 0.20 -2.81 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90