#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 1.45 -0.09 7.33 -0.85 -1.26 -5.13 117.35 118.80 1tpn s TYR 2 Ca 0.00 -1.23 -0.20 0.00 -0.52 0.00 0.00 57.07 55.12 1tpn s TYR 2 Cb 0.00 -0.82 -0.04 0.00 0.38 0.00 0.00 41.96 41.48 1tpn s TYR 2 CO 0.00 -0.41 0.54 -0.65 -1.52 0.00 0.00 175.55 173.51 1tpn s GLN 3 N -4.06 4.35 0.00 -3.49 -0.21 -1.26 -4.87 119.66 110.12 1tpn s GLN 3 Ca 0.38 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.35 1tpn s GLN 3 Cb 0.08 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.66 1tpn s GLN 3 CO 0.13 0.17 0.23 1.33 -2.12 0.00 0.00 175.29 175.03 1tpn n VAL 4 N 3.53 0.00 -4.33 1.09 0.24 -1.26 -4.96 118.33 112.64 1tpn n VAL 4 Ca -0.06 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 1tpn n VAL 4 Cb 0.51 0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.00 2.27 -0.07 1.34 -4.36 -1.26 0.14 121.20 119.26 1tpn s ILE 5 Ca 0.00 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1tpn s ILE 5 Cb 0.00 -2.96 0.03 0.00 1.25 0.00 0.00 42.46 40.79 1tpn s ILE 5 CO 0.00 -0.04 0.03 0.00 0.24 0.00 0.00 174.94 175.17 1tpn s ARG 7 N 2.05 3.46 -0.30 0.00 3.52 -1.26 -1.35 118.95 125.08 1tpn s ARG 7 Ca 0.05 -0.07 -0.14 0.00 -0.13 0.00 0.00 55.73 55.44 1tpn s ARG 7 Cb -0.13 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1tpn s ARG 7 CO -0.05 -1.03 0.30 0.34 -0.81 0.00 0.00 175.30 174.06 1tpn s ASP 8 N 2.04 6.14 0.00 -2.12 -1.08 -1.01 -4.94 116.67 115.70 1tpn s ASP 8 Ca 0.28 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.59 1tpn s ASP 8 Cb -0.13 -2.17 1.13 0.00 -1.46 0.00 0.00 42.92 40.29 1tpn s ASP 8 CO 0.21 -0.19 1.79 -1.84 0.52 0.00 0.00 175.17 175.65 1tpn n GLU 9 N 5.24 1.08 0.13 4.34 0.28 -1.26 -0.36 120.64 130.10 1tpn n GLU 9 Ca -0.11 -0.51 0.12 0.00 -0.16 0.00 0.00 57.16 56.50 1tpn n GLU 9 Cb 0.51 -1.49 0.24 0.00 1.43 0.00 0.00 31.44 32.13 1tpn n GLU 9 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1tpn h LYS 10 N 1.25 0.00 0.00 3.44 1.57 -1.95 -3.34 116.57 117.54 1tpn h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tpn h LYS 10 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1tpn h LYS 10 CO 0.00 0.00 -0.51 0.25 -0.57 0.00 0.00 179.45 178.62 1tpn n THR 11 N -2.51 0.00 -2.83 -0.16 -2.24 -1.23 -5.03 114.28 100.28 1tpn n THR 11 Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1tpn n THR 11 Cb 0.47 0.24 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1tpn n THR 11 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1tpn n GLN 12 N -0.78 -2.77 -4.03 -0.78 0.00 0.52 -5.04 117.38 104.50 1tpn n GLN 12 Ca 0.00 0.30 -0.15 0.00 -0.00 0.00 0.00 57.00 57.15 1tpn n GLN 12 Cb 0.00 -3.70 -0.15 0.00 0.00 0.00 0.00 30.24 26.39 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1tpn s MET 13 N -5.32 0.29 0.02 3.69 1.75 -0.89 -4.98 119.30 113.87 1tpn s MET 13 Ca 0.18 -0.08 -0.10 0.00 -1.25 0.00 0.00 55.69 54.44 1tpn s MET 13 Cb -0.08 -0.32 -0.05 0.00 2.84 0.00 0.00 34.83 37.22 1tpn s MET 13 CO 0.26 0.03 0.35 0.42 -0.65 0.00 0.00 175.02 175.43 1tpn s ILE 14 N 0.17 5.16 0.47 10.11 1.01 -1.26 -2.42 121.20 134.44 1tpn s ILE 14 Ca -0.01 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1tpn s ILE 14 Cb -0.04 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1tpn s ILE 14 CO -0.00 0.42 0.01 -0.31 0.00 0.00 0.00 174.94 175.05 1tpn s TYR 15 N -1.25 2.09 0.54 3.97 2.02 -0.46 -4.91 117.35 119.35 1tpn s TYR 15 Ca 0.28 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1tpn s TYR 15 Cb -0.14 -1.65 0.11 0.00 -0.40 0.00 0.00 41.96 39.88 1tpn s TYR 15 CO 0.15 0.28 0.74 1.04 -1.57 0.00 0.00 175.55 176.20 1tpn n GLN 16 N -1.14 -0.02 -2.46 -0.62 6.02 -1.26 -1.05 117.38 116.85 1tpn n GLN 16 Ca -0.14 -1.90 -0.37 0.00 -0.01 0.00 0.00 57.00 54.58 1tpn n GLN 16 Cb 0.67 -0.53 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 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 -4.42 4.19 -1.19 -1.09 0.74 0.37 -3.11 119.66 115.15 1tpn s GLN 17 Ca 0.48 1.64 0.00 0.00 0.05 0.00 0.00 55.36 57.53 1tpn s GLN 17 Cb -0.03 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1tpn s GLN 17 CO 0.32 -0.15 0.00 0.72 -0.55 0.00 0.00 175.29 175.64 1tpn n HIS 18 N 0.13 -1.03 -3.72 1.67 8.25 0.26 -4.91 115.22 115.87 1tpn n HIS 18 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 1tpn n HIS 18 Cb 0.48 -2.72 -0.09 0.00 1.12 0.00 0.00 29.99 28.77 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 -4.34 4.06 -0.16 -0.41 0.74 -1.18 -4.81 119.66 113.56 1tpn s GLN 19 Ca 0.00 -0.28 -0.15 0.00 0.05 0.00 0.00 55.36 54.98 1tpn s GLN 19 Cb 0.00 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1tpn s GLN 19 CO 0.00 0.12 0.36 -1.54 -0.55 0.00 0.00 175.29 173.68 1tpn s SER 20 N 0.86 6.49 -0.07 6.67 1.04 -1.26 -2.67 113.70 124.76 1tpn s SER 20 Ca 0.07 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1tpn s SER 20 Cb -0.13 -2.22 0.02 0.00 0.10 0.00 0.00 66.02 63.80 1tpn s SER 20 CO 0.03 0.03 -0.04 -1.66 0.98 0.00 0.00 173.24 172.58 1tpn s TRP 21 N 0.73 0.89 0.70 5.02 -2.14 0.12 -4.98 118.94 119.28 1tpn s TRP 21 Ca 0.19 -0.30 -0.11 0.00 2.66 0.00 0.00 56.10 58.53 1tpn s TRP 21 Cb -0.14 -0.83 0.01 0.00 -3.10 0.00 0.00 33.47 29.41 1tpn s TRP 21 CO 0.06 -0.30 1.07 -0.51 -2.66 0.00 0.00 176.95 174.62 1tpn s LEU 22 N 1.40 2.96 0.06 -4.66 2.01 -1.26 -2.79 118.68 116.41 1tpn s LEU 22 Ca -0.03 1.31 -0.00 0.00 0.01 0.00 0.00 54.13 55.41 1tpn s LEU 22 Cb -0.13 -4.15 -0.04 0.00 0.01 0.00 0.00 46.19 41.88 1tpn s LEU 22 CO -0.03 -1.35 -0.04 -0.13 1.01 0.00 0.00 176.35 175.81 1tpn s ARG 23 N -5.23 0.67 1.05 1.70 0.52 0.25 -4.94 118.95 112.97 1tpn s ARG 23 Ca 0.58 -1.25 -0.21 0.00 -0.52 0.00 0.00 55.73 54.33 1tpn s ARG 23 Cb -0.12 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.41 1tpn s ARG 23 CO 0.53 -0.08 -0.57 -2.30 0.02 0.00 0.00 175.30 172.90 1tpn n PRO 24 N 0.08 -0.77 -2.22 3.54 -0.02 -1.26 -1.83 135.00 132.52 1tpn n PRO 24 Ca -0.14 -0.21 -0.27 0.00 -2.02 0.00 0.00 63.50 60.86 1tpn n PRO 24 Cb 0.61 -1.41 0.15 0.00 -0.02 0.00 0.00 33.50 32.83 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 2.06 -0.01 -1.45 -7.23 -1.26 -3.22 120.40 107.14 1tpn s VAL 25 Ca 0.48 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1tpn s VAL 25 Cb -0.06 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1tpn s VAL 25 CO 0.68 0.00 0.24 -0.07 -0.31 0.00 0.00 175.10 175.63 1tpn h LEU 26 N -1.15 -0.03 0.00 1.32 3.38 -1.94 -3.47 115.31 113.42 1tpn h LEU 26 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1tpn h LEU 26 Cb 1.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1tpn h LEU 26 CO 0.39 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.49 1tpn n ARG 27 N -2.41 1.17 0.00 1.13 1.74 -1.26 -5.09 116.66 111.94 1tpn n ARG 27 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1tpn n ARG 27 Cb 0.02 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.03 0.55 7.64 -1.26 -5.01 113.62 115.51 1tpn n SER 28 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1tpn n SER 28 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.16 -3.06 6.43 0.23 -1.26 -4.97 115.26 113.79 1tpn n ASN 29 Ca 0.00 -1.68 -0.15 0.00 -0.53 0.00 0.00 54.58 52.22 1tpn n ASN 29 Cb 0.00 -0.03 0.14 0.00 -2.08 0.00 0.00 39.78 37.80 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1tpn n ARG 30 N -0.34 -2.60 -3.80 -3.83 1.74 -1.26 -4.33 116.66 102.23 1tpn n ARG 30 Ca 0.01 -0.83 -0.13 0.00 -0.77 0.00 0.00 57.85 56.13 1tpn n ARG 30 Cb 0.39 -0.88 -0.13 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.84 -0.01 -0.30 1.55 1.01 -1.17 -4.25 120.40 115.39 1tpn s VAL 31 Ca 0.35 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1tpn s VAL 31 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1tpn s VAL 31 CO 0.28 0.02 0.62 -1.61 0.00 0.00 0.00 175.10 174.40 1tpn s GLU 32 N 0.34 3.90 -0.14 2.72 2.02 -0.76 -3.17 118.70 123.61 1tpn s GLU 32 Ca -0.02 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 1tpn s GLU 32 Cb -0.03 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1tpn s GLU 32 CO -0.01 -0.56 -0.02 -0.47 0.02 0.00 0.00 175.26 174.21 1tpn s TYR 33 N 2.58 3.06 -0.04 1.61 6.14 -0.55 0.85 117.35 131.00 1tpn s TYR 33 Ca 0.25 -0.15 -0.16 0.00 0.64 0.00 0.00 57.07 57.64 1tpn s TYR 33 Cb -0.15 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.34 1tpn s TYR 33 CO 0.12 0.10 0.36 0.00 0.64 0.00 0.00 175.55 176.77 1tpn s TRP 35 N -1.09 -0.14 -0.39 0.00 -2.14 0.98 0.13 118.94 116.28 1tpn s TRP 35 Ca -0.11 0.10 -0.28 0.00 2.66 0.00 0.00 56.10 58.46 1tpn s TRP 35 Cb -0.04 0.10 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1tpn s TRP 35 CO 0.04 -0.46 1.05 0.00 -2.66 0.00 0.00 176.95 174.92 1tpn n ASN 37 N 7.19 0.64 0.00 0.00 5.15 -1.26 -0.57 115.26 126.40 1tpn n ASN 37 Ca 0.11 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1tpn n ASN 37 Cb 0.48 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1tpn n ASN 37 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1tpn n SER 38 N -2.02 0.00 0.00 1.20 2.88 -1.26 -4.86 113.62 109.56 1tpn n SER 38 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1tpn n SER 38 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.09 0.00 0.00 0.46 0.00 -1.26 -4.68 105.19 99.62 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 -0.40 -2.61 1.61 1.85 -1.26 -4.86 116.66 110.99 1tpn n ARG 40 Ca 0.00 -0.50 -0.06 0.00 -1.00 0.00 0.00 57.85 56.29 1tpn n ARG 40 Cb 0.00 -0.89 -0.05 0.00 -1.05 0.00 0.00 32.46 30.47 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 -0.05 -3.71 -2.56 2.89 0.00 -1.26 -4.92 120.51 110.90 1tpn n ALA 41 Ca 0.00 2.37 -0.41 0.00 0.00 0.00 0.00 53.44 55.40 1tpn n ALA 41 Cb 0.08 -4.63 -0.08 0.00 0.00 0.00 0.00 19.45 14.82 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 -0.72 3.67 0.14 0.00 -0.44 0.26 -4.90 119.66 117.67 1tpn s GLN 42 Ca -0.28 -0.13 0.11 0.00 -2.50 0.00 0.00 55.36 52.57 1tpn s GLN 42 Cb 0.02 -3.79 -0.04 0.00 -1.64 0.00 0.00 33.01 27.56 1tpn s GLN 42 CO 0.80 -0.60 -0.26 0.00 0.50 0.00 0.00 175.29 175.73 1tpn s HIS 44 N -1.19 0.62 -0.09 0.00 -3.43 0.56 -4.99 115.29 106.77 1tpn s HIS 44 Ca 0.15 -0.98 -0.02 0.00 -0.80 0.00 0.00 55.06 53.42 1tpn s HIS 44 Cb -0.10 0.18 0.03 0.00 -1.43 0.00 0.00 32.58 31.26 1tpn s HIS 44 CO 0.07 -1.15 0.01 -1.12 -2.00 0.00 0.00 174.74 170.55 1tpn s SER 45 N -3.12 1.74 0.03 7.38 0.01 -1.26 -1.48 113.70 117.00 1tpn s SER 45 Ca 0.25 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.42 1tpn s SER 45 Cb -0.01 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1tpn s SER 45 CO 0.14 -0.21 -0.25 0.68 0.41 0.00 0.00 173.24 174.01 1tpn s VAL 46 N 1.97 2.00 1.39 3.43 -7.23 -1.19 -5.00 120.40 115.77 1tpn s VAL 46 Ca 0.04 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 1tpn s VAL 46 Cb -0.13 -1.70 0.35 0.00 0.56 0.00 0.00 36.38 35.45 1tpn s VAL 46 CO -0.06 0.36 0.80 -0.81 -0.31 0.00 0.00 175.10 175.09 1tpn n PRO 47 N 1.91 -4.30 0.03 4.82 -0.04 -1.26 -3.02 135.00 133.13 1tpn n PRO 47 Ca -0.17 -1.27 -0.06 0.00 -0.04 0.00 0.00 63.50 61.96 1tpn n PRO 47 Cb 0.52 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 1tpn n PRO 47 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1tpn h VAL 48 N -3.44 1.06 -2.24 0.52 3.04 -1.88 -3.43 116.25 109.88 1tpn h VAL 48 Ca -0.40 -2.77 -0.56 0.00 -1.01 0.00 0.00 66.70 61.97 1tpn h VAL 48 Cb 1.25 2.49 0.02 0.00 -2.01 0.00 0.00 31.29 33.03 1tpn h VAL 48 CO 0.25 0.60 1.21 0.29 -1.01 0.00 0.00 177.57 178.91 1tpn n LYS 49 N -3.13 2.64 0.00 4.17 4.76 -1.26 -5.12 118.16 120.22 1tpn n LYS 49 Ca -0.09 0.96 0.13 0.00 -2.87 0.00 0.00 58.31 56.44 1tpn n LYS 49 Cb 0.96 -2.91 0.25 0.00 -1.84 0.00 0.00 35.03 31.48 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90