#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 2.42 -0.37 7.33 2.02 -1.26 -5.01 117.35 122.47 1tpn s TYR 2 Ca 0.00 1.02 0.13 0.00 -0.37 0.00 0.00 57.07 57.85 1tpn s TYR 2 Cb 0.00 -3.26 0.38 0.00 -0.40 0.00 0.00 41.96 38.68 1tpn s TYR 2 CO 0.00 -2.42 0.81 0.94 -1.57 0.00 0.00 175.55 173.32 1tpn n GLN 3 N -3.85 1.22 -2.34 -0.62 7.27 -1.26 -4.85 117.38 112.95 1tpn n GLN 3 Ca 0.06 -3.46 -0.00 0.00 0.07 0.00 0.00 57.00 53.67 1tpn n GLN 3 Cb 0.57 -1.63 0.05 0.00 2.41 0.00 0.00 30.24 31.65 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1tpn n VAL 4 N 0.14 0.60 -2.83 1.69 0.24 -1.26 -5.05 118.33 111.86 1tpn n VAL 4 Ca 0.21 -1.80 -0.20 0.00 -2.04 0.00 0.00 64.34 60.51 1tpn n VAL 4 Cb 0.69 1.10 0.04 0.00 -1.47 0.00 0.00 33.84 34.20 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 -1.76 2.60 -0.19 1.34 -4.36 -1.26 -2.14 121.20 115.43 1tpn s ILE 5 Ca 0.22 -0.83 -0.04 0.00 -0.26 0.00 0.00 60.65 59.74 1tpn s ILE 5 Cb 0.33 -2.78 0.06 0.00 1.25 0.00 0.00 42.46 41.33 1tpn s ILE 5 CO -0.08 0.00 0.07 0.00 0.24 0.00 0.00 174.94 175.17 1tpn s ARG 7 N 2.01 3.86 -0.28 0.00 3.52 -1.26 -1.00 118.95 125.79 1tpn s ARG 7 Ca 0.02 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.83 1tpn s ARG 7 Cb -0.16 -3.75 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1tpn s ARG 7 CO -0.11 -0.66 0.20 0.34 -0.81 0.00 0.00 175.30 174.26 1tpn s ASP 8 N 1.69 6.04 0.00 -2.12 2.15 -0.98 -4.95 116.67 118.49 1tpn s ASP 8 Ca 0.28 0.02 0.30 0.00 0.43 0.00 0.00 52.55 53.57 1tpn s ASP 8 Cb -0.14 -2.13 1.52 0.00 -0.30 0.00 0.00 42.92 41.87 1tpn s ASP 8 CO 0.13 -0.05 2.02 -1.84 -0.17 0.00 0.00 175.17 175.26 1tpn n GLU 9 N 5.04 0.94 0.05 4.34 0.28 -1.26 0.44 120.64 130.48 1tpn n GLU 9 Ca -0.14 -0.23 0.13 0.00 -0.16 0.00 0.00 57.16 56.77 1tpn n GLU 9 Cb 0.52 -1.50 0.41 0.00 1.43 0.00 0.00 31.44 32.30 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 -0.83 0.15 0.00 3.44 4.01 -1.26 -4.16 118.16 119.51 1tpn n LYS 10 Ca 0.19 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1tpn n LYS 10 Cb 0.22 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 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 -1.88 0.00 -2.57 -0.18 5.66 -1.21 -4.96 114.28 109.13 1tpn n THR 11 Ca 0.06 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 1tpn n THR 11 Cb 0.39 0.47 0.01 0.00 -1.55 0.00 0.00 70.33 69.65 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 -2.12 -4.55 1.09 7.27 0.17 -5.01 117.38 114.24 1tpn n GLN 12 Ca 0.00 0.42 -0.33 0.00 0.07 0.00 0.00 57.00 57.15 1tpn n GLN 12 Cb 0.00 -4.26 -0.15 0.00 2.41 0.00 0.00 30.24 28.24 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 -5.01 3.27 0.06 3.69 1.75 -1.00 -4.92 119.30 117.15 1tpn s MET 13 Ca 0.13 -0.72 -0.12 0.00 -1.25 0.00 0.00 55.69 53.73 1tpn s MET 13 Cb -0.06 -2.66 -0.06 0.00 2.84 0.00 0.00 34.83 34.90 1tpn s MET 13 CO 0.16 0.05 0.42 0.42 -0.65 0.00 0.00 175.02 175.42 1tpn s ILE 14 N 0.74 5.04 0.28 10.11 1.01 -1.26 -2.33 121.20 134.80 1tpn s ILE 14 Ca -0.06 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.28 1tpn s ILE 14 Cb -0.15 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1tpn s ILE 14 CO 0.01 0.38 -0.06 -0.31 0.00 0.00 0.00 174.94 174.96 1tpn s TYR 15 N -1.30 1.95 0.00 3.97 2.02 -0.17 -4.90 117.35 118.92 1tpn s TYR 15 Ca 0.31 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1tpn s TYR 15 Cb -0.15 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 1tpn s TYR 15 CO 0.17 0.27 0.00 1.04 -1.57 0.00 0.00 175.55 175.46 1tpn n GLN 16 N -0.59 0.75 -2.65 -0.62 6.02 -1.26 0.20 117.38 119.23 1tpn n GLN 16 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.56 1tpn n GLN 16 Cb 0.63 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.84 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 -1.60 4.53 -1.46 -1.09 0.74 -0.91 -3.31 119.66 116.57 1tpn s GLN 17 Ca 0.00 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.91 1tpn s GLN 17 Cb 0.00 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.22 1tpn s GLN 17 CO 0.00 0.19 0.00 0.72 -0.55 0.00 0.00 175.29 175.65 1tpn n HIS 18 N 0.68 -0.69 -3.62 1.67 8.25 0.78 -4.92 115.22 117.38 1tpn n HIS 18 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1tpn n HIS 18 Cb 0.48 -2.90 -0.08 0.00 1.12 0.00 0.00 29.99 28.61 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 -3.95 4.20 -0.08 -0.41 2.00 -1.21 -4.82 119.66 115.39 1tpn s GLN 19 Ca 0.00 -0.07 -0.13 0.00 -2.00 0.00 0.00 55.36 53.16 1tpn s GLN 19 Cb 0.00 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.31 1tpn s GLN 19 CO 0.00 0.22 0.32 -1.54 -0.50 0.00 0.00 175.29 173.79 1tpn s SER 20 N 0.55 6.60 -0.12 6.67 1.04 -1.26 -2.32 113.70 124.87 1tpn s SER 20 Ca 0.12 0.71 -0.05 0.00 0.48 0.00 0.00 55.95 57.21 1tpn s SER 20 Cb -0.12 -2.20 0.06 0.00 0.10 0.00 0.00 66.02 63.86 1tpn s SER 20 CO 0.02 0.25 0.27 -1.66 0.98 0.00 0.00 173.24 173.10 1tpn s TRP 21 N -0.49 -0.40 0.46 5.02 -2.14 0.59 -4.98 118.94 117.00 1tpn s TRP 21 Ca 0.20 0.92 -0.20 0.00 2.66 0.00 0.00 56.10 59.67 1tpn s TRP 21 Cb -0.14 0.03 -0.10 0.00 -3.10 0.00 0.00 33.47 30.15 1tpn s TRP 21 CO 0.08 -0.30 0.98 -0.51 -2.66 0.00 0.00 176.95 174.54 1tpn s LEU 22 N 1.83 3.88 0.10 -4.66 2.01 -1.26 -2.81 118.68 117.76 1tpn s LEU 22 Ca -0.04 1.75 0.07 0.00 0.01 0.00 0.00 54.13 55.91 1tpn s LEU 22 Cb -0.11 -4.54 -0.03 0.00 0.01 0.00 0.00 46.19 41.51 1tpn s LEU 22 CO -0.09 -0.52 -0.17 -0.13 1.01 0.00 0.00 176.35 176.45 1tpn s ARG 23 N -3.29 1.01 1.05 1.70 0.52 0.54 -4.96 118.95 115.51 1tpn s ARG 23 Ca 0.63 -1.11 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 1tpn s ARG 23 Cb -0.11 -1.12 0.04 0.00 0.52 0.00 0.00 34.95 34.28 1tpn s ARG 23 CO 0.17 0.25 -0.32 -2.30 0.02 0.00 0.00 175.30 173.12 1tpn n PRO 24 N 1.06 -1.32 -2.16 3.54 -0.02 -1.26 -2.15 135.00 132.68 1tpn n PRO 24 Ca -0.19 -0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 60.64 1tpn n PRO 24 Cb 0.54 -1.45 0.06 0.00 -0.02 0.00 0.00 33.50 32.63 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 -2.13 2.79 0.00 -1.45 -7.23 -1.26 -3.79 120.40 107.33 1tpn s VAL 25 Ca 0.45 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1tpn s VAL 25 Cb -0.04 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1tpn s VAL 25 CO 0.57 -0.22 0.01 0.00 -0.31 0.00 0.00 175.10 175.14 1tpn n LEU 26 N -2.90 1.82 0.00 1.32 -0.00 -1.26 -4.91 117.00 111.07 1tpn n LEU 26 Ca 0.07 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1tpn n LEU 26 Cb 0.59 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1tpn n LEU 26 CO 0.54 -0.19 0.00 0.54 -0.00 0.00 0.00 177.39 178.27 1tpn n ARG 27 N -1.08 0.09 0.00 1.47 1.74 -1.26 -5.06 116.66 112.55 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 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.71 0.55 7.64 -1.26 -5.03 113.62 114.81 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 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -3.37 6.43 5.15 -1.26 -5.05 115.26 117.16 1tpn n ASN 29 Ca 0.00 -1.64 -0.14 0.00 -0.60 0.00 0.00 54.58 52.20 1tpn n ASN 29 Cb 0.00 -0.07 0.08 0.00 -0.53 0.00 0.00 39.78 39.25 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1tpn n ARG 30 N 0.07 0.04 -4.00 1.20 5.12 -1.26 -4.33 116.66 113.50 1tpn n ARG 30 Ca -0.03 -1.47 -0.15 0.00 -1.93 0.00 0.00 57.85 54.27 1tpn n ARG 30 Cb 0.69 -0.45 -0.15 0.00 -1.16 0.00 0.00 32.46 31.40 1tpn n ARG 30 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1tpn s VAL 31 N -1.82 0.20 -0.47 1.55 1.01 -1.25 -4.07 120.40 115.55 1tpn s VAL 31 Ca 0.38 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1tpn s VAL 31 Cb -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1tpn s VAL 31 CO 0.26 0.08 0.69 -1.61 0.00 0.00 0.00 175.10 174.52 1tpn s GLU 32 N 0.21 3.26 -0.30 2.72 2.02 -0.92 -3.69 118.70 122.01 1tpn s GLU 32 Ca -0.02 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 1tpn s GLU 32 Cb -0.04 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.17 1tpn s GLU 32 CO -0.01 -1.13 0.50 -0.47 0.02 0.00 0.00 175.26 174.17 1tpn s TYR 33 N 2.98 3.23 0.00 1.61 6.14 -0.77 -0.34 117.35 130.20 1tpn s TYR 33 Ca 0.23 0.45 -0.01 0.00 0.64 0.00 0.00 57.07 58.37 1tpn s TYR 33 Cb -0.15 -2.79 -0.01 0.00 0.42 0.00 0.00 41.96 39.43 1tpn s TYR 33 CO 0.18 -0.38 0.02 0.00 0.64 0.00 0.00 175.55 176.01 1tpn s TRP 35 N -0.64 0.20 -0.27 0.00 -2.14 0.11 -0.30 118.94 115.91 1tpn s TRP 35 Ca -0.07 -0.39 -0.29 0.00 2.66 0.00 0.00 56.10 58.01 1tpn s TRP 35 Cb -0.04 -0.15 -0.01 0.00 -3.10 0.00 0.00 33.47 30.17 1tpn s TRP 35 CO -0.00 -0.14 1.36 0.00 -2.66 0.00 0.00 176.95 175.51 1tpn n ASN 37 N 7.65 0.62 0.00 0.00 5.15 -1.26 -0.16 115.26 127.26 1tpn n ASN 37 Ca 0.15 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1tpn n ASN 37 Cb 0.46 0.47 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1tpn n SER 38 N -1.63 0.00 0.00 1.20 7.64 -1.26 -4.86 113.62 114.71 1tpn n SER 38 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1tpn n SER 38 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.11 -0.34 0.10 0.23 0.00 -1.26 -4.83 105.19 98.97 1tpn n GLY 39 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.36 -2.64 1.61 1.85 -1.26 -4.86 116.66 112.72 1tpn n ARG 40 Ca 0.00 -1.17 -0.05 0.00 -1.00 0.00 0.00 57.85 55.63 1tpn n ARG 40 Cb 0.00 -1.04 -0.04 0.00 -1.05 0.00 0.00 32.46 30.32 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 -0.13 -3.52 -2.67 2.89 0.00 -1.26 -4.92 120.51 110.90 1tpn n ALA 41 Ca 0.02 2.25 -0.40 0.00 0.00 0.00 0.00 53.44 55.31 1tpn n ALA 41 Cb 0.18 -4.43 -0.06 0.00 0.00 0.00 0.00 19.45 15.14 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 -0.65 4.24 0.09 0.00 -0.44 0.19 -4.88 119.66 118.21 1tpn s GLN 42 Ca -0.27 0.61 0.04 0.00 -2.50 0.00 0.00 55.36 53.24 1tpn s GLN 42 Cb 0.02 -3.55 -0.03 0.00 -1.64 0.00 0.00 33.01 27.80 1tpn s GLN 42 CO 0.74 -0.18 -0.11 0.00 0.50 0.00 0.00 175.29 176.24 1tpn s HIS 44 N -2.01 1.36 -0.06 0.00 -3.43 -0.06 -5.00 115.29 106.09 1tpn s HIS 44 Ca 0.02 -1.45 -0.03 0.00 -0.80 0.00 0.00 55.06 52.81 1tpn s HIS 44 Cb -0.06 -0.37 0.04 0.00 -1.43 0.00 0.00 32.58 30.77 1tpn s HIS 44 CO 0.01 -1.00 0.12 -1.12 -2.00 0.00 0.00 174.74 170.75 1tpn s SER 45 N -3.29 0.66 -0.07 7.38 0.01 -1.26 -1.86 113.70 115.28 1tpn s SER 45 Ca 0.35 0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.90 1tpn s SER 45 Cb 0.01 0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 1tpn s SER 45 CO 0.23 -0.22 -0.22 -0.69 0.41 0.00 0.00 173.24 172.75 1tpn s VAL 46 N 1.99 1.82 1.19 3.43 1.01 -1.24 -5.00 120.40 123.60 1tpn s VAL 46 Ca 0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1tpn s VAL 46 Cb -0.12 -1.56 0.25 0.00 0.00 0.00 0.00 36.38 34.95 1tpn s VAL 46 CO -0.05 0.51 0.52 -2.65 0.00 0.00 0.00 175.10 173.43 1tpn n PRO 47 N 3.23 -3.09 0.04 2.72 -0.02 -1.26 -3.80 135.00 132.81 1tpn n PRO 47 Ca -0.19 -0.91 0.13 0.00 -2.02 0.00 0.00 63.50 60.52 1tpn n PRO 47 Cb 0.52 -1.70 0.47 0.00 -0.02 0.00 0.00 33.50 32.77 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 -4.94 0.23 -2.79 -1.45 3.14 -1.26 -4.80 118.33 106.45 1tpn n VAL 48 Ca 0.07 -0.12 -0.03 0.00 -2.96 0.00 0.00 64.34 61.30 1tpn n VAL 48 Cb 0.48 -0.41 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 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 -1.81 -3.28 0.00 1.45 3.00 -1.26 -5.16 118.16 111.10 1tpn n LYS 49 Ca 0.06 2.60 0.00 0.00 -0.00 0.00 0.00 58.31 60.97 1tpn n LYS 49 Cb 0.38 -3.69 0.00 0.00 0.00 0.00 0.00 35.03 31.72 1tpn n LYS 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83