#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 0.82 -0.10 1.43 1.13 -1.26 -4.51 117.35 114.85 1tpn s TYR 2 Ca 0.00 1.03 -0.04 0.00 -1.41 0.00 0.00 57.07 56.65 1tpn s TYR 2 Cb 0.00 -3.02 0.01 0.00 -1.10 0.00 0.00 41.96 37.86 1tpn s TYR 2 CO 0.00 -4.29 0.07 1.04 -2.51 0.00 0.00 175.55 169.86 1tpn n GLN 3 N -5.20 -2.38 0.00 -3.49 6.02 -1.26 -4.92 117.38 106.15 1tpn n GLN 3 Ca 0.04 2.02 0.06 0.00 -0.01 0.00 0.00 57.00 59.12 1tpn n GLN 3 Cb 0.55 -2.77 0.05 0.00 1.02 0.00 0.00 30.24 29.09 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1tpn n VAL 4 N 1.77 0.00 -4.64 5.09 0.24 -1.26 -4.44 118.33 115.09 1tpn n VAL 4 Ca -0.12 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.34 61.42 1tpn n VAL 4 Cb 0.29 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 1tpn n VAL 4 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1tpn n ILE 5 N 0.60 0.00 -3.58 1.34 -5.35 -1.26 -2.57 119.36 108.54 1tpn n ILE 5 Ca 0.07 -2.06 -0.25 0.00 -0.27 0.00 0.00 62.75 60.24 1tpn n ILE 5 Cb 0.31 0.44 -0.16 0.00 -1.74 0.00 0.00 39.64 38.49 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 2.17 3.58 -0.30 0.00 3.52 -1.26 -1.17 118.95 125.48 1tpn s ARG 7 Ca 0.04 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.57 1tpn s ARG 7 Cb -0.16 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1tpn s ARG 7 CO -0.14 -0.93 0.25 0.34 -0.81 0.00 0.00 175.30 174.01 1tpn s ASP 8 N 1.95 6.08 0.00 -2.12 2.15 -0.82 -4.94 116.67 118.97 1tpn s ASP 8 Ca 0.29 -0.08 0.28 0.00 0.43 0.00 0.00 52.55 53.46 1tpn s ASP 8 Cb -0.13 -2.15 1.30 0.00 -0.30 0.00 0.00 42.92 41.64 1tpn s ASP 8 CO 0.19 -0.15 1.88 -1.84 -0.17 0.00 0.00 175.17 175.08 1tpn n GLU 9 N 5.15 1.43 0.05 4.34 0.28 -1.26 -0.55 120.64 130.08 1tpn n GLU 9 Ca -0.12 -0.63 0.13 0.00 -0.16 0.00 0.00 57.16 56.37 1tpn n GLU 9 Cb 0.51 -1.47 0.39 0.00 1.43 0.00 0.00 31.44 32.29 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 -0.22 0.15 0.00 3.44 3.00 -1.26 -4.13 118.16 119.14 1tpn n LYS 10 Ca 0.20 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1tpn n LYS 10 Cb 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.65 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 -1.88 0.00 -2.62 3.15 5.66 -1.23 -5.01 114.28 112.35 1tpn n THR 11 Ca 0.05 -0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.02 1tpn n THR 11 Cb 0.39 0.03 0.01 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.04 -1.04 -4.40 1.09 7.27 0.29 -5.06 117.38 115.49 1tpn n GLN 12 Ca 0.00 0.11 -0.19 0.00 0.07 0.00 0.00 57.00 56.99 1tpn n GLN 12 Cb 0.00 -2.94 -0.15 0.00 2.41 0.00 0.00 30.24 29.56 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 -5.12 0.78 0.06 3.69 1.75 -0.96 -4.98 119.30 114.53 1tpn s MET 13 Ca 0.07 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1tpn s MET 13 Cb -0.03 -0.76 -0.04 0.00 2.84 0.00 0.00 34.83 36.84 1tpn s MET 13 CO 0.10 0.21 0.16 0.42 -0.65 0.00 0.00 175.02 175.25 1tpn s ILE 14 N -0.27 5.08 0.27 10.11 1.01 -1.26 -1.95 121.20 134.19 1tpn s ILE 14 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1tpn s ILE 14 Cb -0.04 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1tpn s ILE 14 CO -0.00 0.15 0.06 -0.31 0.00 0.00 0.00 174.94 174.83 1tpn s TYR 15 N -1.45 1.69 0.00 3.97 2.02 -0.32 -4.91 117.35 118.34 1tpn s TYR 15 Ca 0.32 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1tpn s TYR 15 Cb -0.13 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1tpn s TYR 15 CO 0.25 -0.15 0.00 1.04 -1.57 0.00 0.00 175.55 175.12 1tpn n GLN 16 N -0.53 0.97 -2.64 -0.62 6.02 -1.26 0.33 117.38 119.65 1tpn n GLN 16 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 1tpn n GLN 16 Cb 0.66 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.87 1tpn n GLN 16 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1tpn s GLN 17 N -1.18 4.39 -1.41 -1.09 -0.21 -1.06 -3.34 119.66 115.76 1tpn s GLN 17 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 55.36 56.83 1tpn s GLN 17 Cb 0.00 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.31 1tpn s GLN 17 CO 0.00 0.07 0.00 0.72 -2.12 0.00 0.00 175.29 173.96 1tpn n HIS 18 N 0.29 -0.70 -3.46 0.91 8.25 0.10 -4.91 115.22 115.71 1tpn n HIS 18 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 1tpn n HIS 18 Cb 0.49 -2.83 -0.08 0.00 1.12 0.00 0.00 29.99 28.69 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 -3.90 4.12 -0.07 -0.41 2.00 -1.21 -4.81 119.66 115.37 1tpn s GLN 19 Ca 0.00 0.06 -0.16 0.00 -2.00 0.00 0.00 55.36 53.26 1tpn s GLN 19 Cb 0.00 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.20 1tpn s GLN 19 CO 0.00 -0.05 0.40 -1.54 -0.50 0.00 0.00 175.29 173.60 1tpn s SER 20 N 1.14 6.69 -0.10 6.67 1.04 -1.26 -2.45 113.70 125.42 1tpn s SER 20 Ca 0.15 0.81 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 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 0.07 0.17 0.21 -1.66 0.98 0.00 0.00 173.24 173.01 1tpn s TRP 21 N -0.19 -0.29 0.71 5.02 -2.14 0.92 -4.98 118.94 117.99 1tpn s TRP 21 Ca 0.23 0.77 -0.11 0.00 2.66 0.00 0.00 56.10 59.64 1tpn s TRP 21 Cb -0.15 -0.13 0.01 0.00 -3.10 0.00 0.00 33.47 30.10 1tpn s TRP 21 CO 0.10 -0.30 1.08 -0.51 -2.66 0.00 0.00 176.95 174.67 1tpn s LEU 22 N 2.20 2.92 0.10 -4.66 2.01 -1.26 -2.15 118.68 117.83 1tpn s LEU 22 Ca 0.01 1.26 0.02 0.00 0.01 0.00 0.00 54.13 55.43 1tpn s LEU 22 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 46.19 41.96 1tpn s LEU 22 CO -0.07 -1.38 -0.07 -0.13 1.01 0.00 0.00 176.35 175.70 1tpn s ARG 23 N -5.26 0.84 1.09 1.70 0.52 0.19 -4.89 118.95 113.14 1tpn s ARG 23 Ca 0.58 -1.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.32 1tpn s ARG 23 Cb -0.12 -0.29 0.08 0.00 0.52 0.00 0.00 34.95 35.14 1tpn s ARG 23 CO 0.53 0.01 -0.02 -2.30 0.02 0.00 0.00 175.30 173.54 1tpn n PRO 24 N 0.10 -1.35 -2.59 3.54 -0.01 -1.26 -2.08 135.00 131.35 1tpn n PRO 24 Ca -0.13 -0.37 -0.23 0.00 -0.01 0.00 0.00 63.50 62.76 1tpn n PRO 24 Cb 0.60 -1.68 0.09 0.00 -0.01 0.00 0.00 33.50 32.49 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 1tpn s VAL 25 N -2.24 2.28 0.00 -1.45 -7.23 -1.26 -3.82 120.40 106.67 1tpn s VAL 25 Ca 0.55 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1tpn s VAL 25 Cb -0.12 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1tpn s VAL 25 CO 0.66 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 175.51 1tpn n LEU 26 N -2.71 1.10 0.00 1.32 -0.00 -1.26 -4.91 117.00 110.54 1tpn n LEU 26 Ca 0.13 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1tpn n LEU 26 Cb 0.60 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1tpn n LEU 26 CO 0.43 -0.30 0.00 0.54 -0.00 0.00 0.00 177.39 178.06 1tpn n ARG 27 N -1.41 1.88 0.00 1.47 1.74 -1.26 -5.06 116.66 114.02 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 -0.16 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.26 0.55 7.64 -1.26 -5.03 113.62 115.26 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 -2.99 6.43 2.85 -1.26 -5.04 115.26 115.25 1tpn n ASN 29 Ca 0.00 -1.27 -0.15 0.00 -0.11 0.00 0.00 54.58 53.05 1tpn n ASN 29 Cb 0.00 -0.05 0.11 0.00 1.24 0.00 0.00 39.78 41.08 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1tpn n ARG 30 N 0.00 -1.37 -3.81 1.20 1.74 -1.26 -4.62 116.66 108.54 1tpn n ARG 30 Ca 0.00 -0.94 -0.13 0.00 -0.77 0.00 0.00 57.85 56.01 1tpn n ARG 30 Cb 0.55 -0.75 -0.14 0.00 -1.02 0.00 0.00 32.46 31.11 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 -2.21 -0.02 -0.22 1.55 -7.23 -1.26 -4.23 120.40 106.79 1tpn s VAL 31 Ca 0.36 0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 60.39 1tpn s VAL 31 Cb -0.02 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 1tpn s VAL 31 CO 0.27 0.03 0.62 -1.61 -0.31 0.00 0.00 175.10 174.09 1tpn s GLU 32 N 0.44 4.17 -0.16 4.82 2.02 -0.88 -3.73 118.70 125.37 1tpn s GLU 32 Ca -0.03 0.57 -0.13 0.00 0.02 0.00 0.00 54.97 55.40 1tpn s GLU 32 Cb -0.05 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1tpn s GLU 32 CO -0.02 -0.30 0.28 -0.47 0.02 0.00 0.00 175.26 174.77 1tpn s TYR 33 N 2.13 3.46 -0.10 1.61 6.14 0.10 0.54 117.35 131.23 1tpn s TYR 33 Ca 0.27 0.58 -0.04 0.00 0.64 0.00 0.00 57.07 58.53 1tpn s TYR 33 Cb -0.16 -2.32 0.05 0.00 0.42 0.00 0.00 41.96 39.95 1tpn s TYR 33 CO 0.10 0.26 0.17 0.00 0.64 0.00 0.00 175.55 176.71 1tpn s TRP 35 N 2.30 0.90 -0.22 0.00 -2.14 0.23 -0.05 118.94 119.96 1tpn s TRP 35 Ca 0.03 -0.37 -0.27 0.00 2.66 0.00 0.00 56.10 58.15 1tpn s TRP 35 Cb -0.12 -0.54 0.00 0.00 -3.10 0.00 0.00 33.47 29.71 1tpn s TRP 35 CO -0.07 -0.01 0.94 0.00 -2.66 0.00 0.00 176.95 175.15 1tpn n ASN 37 N 6.01 0.71 0.00 0.00 2.85 -1.26 0.01 115.26 123.57 1tpn n ASN 37 Ca 0.09 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1tpn n ASN 37 Cb 0.47 0.48 0.00 0.00 1.24 0.00 0.00 39.78 41.97 1tpn n ASN 37 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1tpn n SER 38 N -2.30 0.00 0.00 1.20 2.88 -1.26 -4.79 113.62 109.35 1tpn n SER 38 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1tpn n SER 38 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.07 -0.41 0.66 0.46 0.00 -1.26 -4.52 105.19 100.05 1tpn n GLY 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.80 -2.77 1.61 1.85 -1.26 -4.84 116.66 113.04 1tpn n ARG 40 Ca 0.00 -1.72 -0.03 0.00 -1.00 0.00 0.00 57.85 55.11 1tpn n ARG 40 Cb 0.00 -1.30 -0.02 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.77 -3.06 -2.27 2.89 0.00 -1.26 -4.95 120.51 112.64 1tpn n ALA 41 Ca 0.11 1.25 -0.36 0.00 0.00 0.00 0.00 53.44 54.45 1tpn n ALA 41 Cb 0.40 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.89 4.08 0.09 0.00 -0.44 0.36 -4.87 119.66 117.99 1tpn s GLN 42 Ca -0.13 0.63 -0.14 0.00 -2.50 0.00 0.00 55.36 53.22 1tpn s GLN 42 Cb 0.01 -2.93 0.02 0.00 -1.64 0.00 0.00 33.01 28.47 1tpn s GLN 42 CO 0.59 0.46 0.33 0.00 0.50 0.00 0.00 175.29 177.17 1tpn s HIS 44 N -3.34 0.42 -0.07 0.00 -3.43 -0.09 -4.99 115.29 103.79 1tpn s HIS 44 Ca 0.00 -0.95 -0.02 0.00 -0.80 0.00 0.00 55.06 53.29 1tpn s HIS 44 Cb 0.02 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 31.74 1tpn s HIS 44 CO -0.08 -1.43 0.06 -1.12 -2.00 0.00 0.00 174.74 170.16 1tpn s SER 45 N -3.12 1.47 -0.10 7.38 0.01 -1.26 -0.72 113.70 117.36 1tpn s SER 45 Ca 0.20 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.39 1tpn s SER 45 Cb -0.04 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1tpn s SER 45 CO 0.14 -0.26 -0.17 -0.69 0.41 0.00 0.00 173.24 172.67 1tpn s VAL 46 N 2.13 1.58 1.33 3.43 1.01 -1.24 -5.01 120.40 123.62 1tpn s VAL 46 Ca 0.04 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1tpn s VAL 46 Cb -0.13 -1.42 0.32 0.00 0.00 0.00 0.00 36.38 35.16 1tpn s VAL 46 CO -0.05 0.45 0.78 -2.65 0.00 0.00 0.00 175.10 173.64 1tpn n PRO 47 N 3.97 -3.84 0.00 2.72 -0.01 -1.26 -4.15 135.00 132.42 1tpn n PRO 47 Ca -0.20 -1.13 0.12 0.00 -0.01 0.00 0.00 63.50 62.28 1tpn n PRO 47 Cb 0.52 -1.90 0.53 0.00 -0.01 0.00 0.00 33.50 32.64 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1tpn n VAL 48 N -5.39 0.29 -2.09 -1.45 3.14 -1.26 -4.21 118.33 107.36 1tpn n VAL 48 Ca 0.09 0.06 -0.42 0.00 -2.96 0.00 0.00 64.34 61.11 1tpn n VAL 48 Cb 0.55 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 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 -1.53 3.49 0.00 1.45 4.81 -1.26 -5.20 118.16 119.93 1tpn n LYS 49 Ca 0.06 -3.21 0.01 0.00 -0.87 0.00 0.00 58.31 54.30 1tpn n LYS 49 Cb 0.30 -2.99 0.04 0.00 0.02 0.00 0.00 35.03 32.39 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02