#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 3.61 -0.32 0.66 2.02 -1.26 -5.05 117.35 117.01 1tpn s TYR 2 Ca 0.00 0.82 -0.05 0.00 -0.37 0.00 0.00 57.07 57.48 1tpn s TYR 2 Cb 0.00 -2.18 0.19 0.00 -0.40 0.00 0.00 41.96 39.57 1tpn s TYR 2 CO 0.00 0.54 0.89 -0.65 -1.57 0.00 0.00 175.55 174.76 1tpn s GLN 3 N -1.76 0.33 0.00 -0.62 -0.21 -1.26 -5.01 119.66 111.12 1tpn s GLN 3 Ca 0.31 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.82 1tpn s GLN 3 Cb -0.14 0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.96 1tpn s GLN 3 CO 0.17 -0.55 0.00 0.28 -2.12 0.00 0.00 175.29 173.07 1tpn n VAL 4 N 4.76 0.00 -3.36 1.09 0.31 -1.26 -4.89 118.33 114.97 1tpn n VAL 4 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1tpn n VAL 4 Cb 0.58 1.26 -0.01 0.00 -0.91 0.00 0.00 33.84 34.76 1tpn n VAL 4 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1tpn s ILE 5 N 0.00 2.74 -0.15 2.52 -4.36 -1.26 -1.54 121.20 119.16 1tpn s ILE 5 Ca 0.00 -1.22 -0.04 0.00 -0.26 0.00 0.00 60.65 59.13 1tpn s ILE 5 Cb 0.00 -2.96 0.05 0.00 1.25 0.00 0.00 42.46 40.81 1tpn s ILE 5 CO 0.00 0.00 0.07 0.00 0.24 0.00 0.00 174.94 175.25 1tpn s ARG 7 N 2.09 4.13 -0.24 0.00 3.52 -1.26 -1.34 118.95 125.85 1tpn s ARG 7 Ca 0.02 0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 56.15 1tpn s ARG 7 Cb -0.15 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1tpn s ARG 7 CO -0.08 -0.41 0.07 0.34 -0.81 0.00 0.00 175.30 174.41 1tpn s ASP 8 N 1.43 5.23 0.00 -2.12 -1.08 -1.00 -4.97 116.67 114.16 1tpn s ASP 8 Ca 0.27 -0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.43 1tpn s ASP 8 Cb -0.15 -1.93 1.21 0.00 -1.46 0.00 0.00 42.92 40.58 1tpn s ASP 8 CO 0.08 0.00 1.84 -1.84 0.52 0.00 0.00 175.17 175.78 1tpn n GLU 9 N 4.68 0.88 0.02 4.34 0.28 -1.26 -0.22 120.64 129.36 1tpn n GLU 9 Ca -0.16 -0.35 0.13 0.00 -0.16 0.00 0.00 57.16 56.62 1tpn n GLU 9 Cb 0.52 -1.49 0.43 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.75 0.06 0.00 3.44 4.01 -1.26 -4.07 118.16 119.59 1tpn n LYS 10 Ca 0.16 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1tpn n LYS 10 Cb 0.28 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1tpn n LYS 10 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1tpn n THR 11 N -1.64 0.00 -3.08 -0.18 -2.24 -1.23 -5.03 114.28 100.88 1tpn n THR 11 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1tpn n THR 11 Cb 0.36 0.51 0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1tpn n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tpn n GLN 12 N 0.00 -4.85 -4.12 -0.78 6.02 0.69 -5.02 117.38 109.32 1tpn n GLN 12 Ca 0.00 0.57 -0.18 0.00 -0.01 0.00 0.00 57.00 57.39 1tpn n GLN 12 Cb 0.00 -4.79 -0.15 0.00 1.02 0.00 0.00 30.24 26.32 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 -5.30 0.55 0.02 -1.09 1.75 -0.97 -4.97 119.30 109.29 1tpn s MET 13 Ca 0.15 -0.11 -0.09 0.00 -1.25 0.00 0.00 55.69 54.39 1tpn s MET 13 Cb -0.07 -0.58 -0.05 0.00 2.84 0.00 0.00 34.83 36.97 1tpn s MET 13 CO 0.49 -0.00 0.33 0.42 -0.65 0.00 0.00 175.02 175.62 1tpn s ILE 14 N 0.48 5.19 0.48 10.11 1.01 -1.26 -2.39 121.20 134.82 1tpn s ILE 14 Ca -0.06 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1tpn s ILE 14 Cb -0.09 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1tpn s ILE 14 CO -0.00 0.39 0.04 -0.31 0.00 0.00 0.00 174.94 175.06 1tpn s TYR 15 N -1.28 1.82 0.11 3.97 1.51 -0.45 -4.91 117.35 118.12 1tpn s TYR 15 Ca 0.28 -1.07 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 1tpn s TYR 15 Cb -0.14 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1tpn s TYR 15 CO 0.15 0.06 0.15 1.04 -1.11 0.00 0.00 175.55 175.84 1tpn n GLN 16 N -1.17 0.90 -2.21 -0.62 6.02 -1.26 -1.27 117.38 117.76 1tpn n GLN 16 Ca -0.16 -0.55 -0.38 0.00 -0.01 0.00 0.00 57.00 55.90 1tpn n GLN 16 Cb 0.66 -0.05 -0.01 0.00 1.02 0.00 0.00 30.24 31.86 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 -2.50 3.95 -0.91 -1.09 -1.52 -0.59 -2.63 119.66 114.38 1tpn s GLN 17 Ca 0.11 1.91 0.00 0.00 -1.95 0.00 0.00 55.36 55.43 1tpn s GLN 17 Cb -0.01 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1tpn s GLN 17 CO 0.07 -0.43 0.00 0.72 -0.25 0.00 0.00 175.29 175.40 1tpn n HIS 18 N -0.04 -0.54 -2.94 0.91 8.25 0.69 -4.85 115.22 116.71 1tpn n HIS 18 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 1tpn n HIS 18 Cb 0.46 -2.03 -0.05 0.00 1.12 0.00 0.00 29.99 29.50 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 -2.66 4.19 -0.11 -0.41 2.00 -1.08 -4.74 119.66 116.85 1tpn s GLN 19 Ca 0.00 0.88 -0.17 0.00 -2.00 0.00 0.00 55.36 54.07 1tpn s GLN 19 Cb 0.00 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 1tpn s GLN 19 CO 0.00 -0.46 0.45 -1.54 -0.50 0.00 0.00 175.29 173.25 1tpn s SER 20 N 1.32 6.67 -0.09 6.67 1.04 -1.26 -2.60 113.70 125.46 1tpn s SER 20 Ca 0.34 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.54 1tpn s SER 20 Cb -0.16 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.73 1tpn s SER 20 CO 0.08 0.04 0.05 -1.66 0.98 0.00 0.00 173.24 172.74 1tpn s TRP 21 N 0.43 0.28 0.57 5.02 -2.14 0.63 -4.98 118.94 118.76 1tpn s TRP 21 Ca 0.25 -0.03 -0.15 0.00 2.66 0.00 0.00 56.10 58.83 1tpn s TRP 21 Cb -0.15 -0.63 -0.05 0.00 -3.10 0.00 0.00 33.47 29.54 1tpn s TRP 21 CO 0.10 -0.32 1.02 -0.51 -2.66 0.00 0.00 176.95 174.58 1tpn s LEU 22 N 2.10 3.46 0.13 -4.66 2.01 -1.26 -2.40 118.68 118.06 1tpn s LEU 22 Ca 0.04 1.59 0.05 0.00 0.01 0.00 0.00 54.13 55.82 1tpn s LEU 22 Cb -0.13 -4.50 -0.04 0.00 0.01 0.00 0.00 46.19 41.52 1tpn s LEU 22 CO -0.05 -0.86 -0.12 -0.13 1.01 0.00 0.00 176.35 176.21 1tpn s ARG 23 N -4.41 1.02 1.18 1.70 0.52 0.13 -4.93 118.95 114.15 1tpn s ARG 23 Ca 0.59 -1.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 1tpn s ARG 23 Cb -0.12 -0.72 0.21 0.00 0.52 0.00 0.00 34.95 34.84 1tpn s ARG 23 CO 0.40 0.11 0.44 -2.30 0.02 0.00 0.00 175.30 173.98 1tpn n PRO 24 N 0.19 -2.44 -2.57 3.54 -0.01 -1.26 -1.80 135.00 130.65 1tpn n PRO 24 Ca -0.13 -0.70 -0.26 0.00 -0.01 0.00 0.00 63.50 62.39 1tpn n PRO 24 Cb 0.59 -1.83 0.02 0.00 -0.01 0.00 0.00 33.50 32.26 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 4.19 -0.00 -1.45 -7.23 -1.25 -3.86 120.40 108.56 1tpn s VAL 25 Ca 0.59 0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1tpn s VAL 25 Cb -0.15 -3.62 -0.00 0.00 0.56 0.00 0.00 36.38 33.17 1tpn s VAL 25 CO 0.61 -0.60 0.42 -0.07 -0.31 0.00 0.00 175.10 175.15 1tpn h LEU 26 N 0.06 -0.00 0.00 1.32 4.07 -1.94 -3.46 115.31 115.36 1tpn h LEU 26 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1tpn h LEU 26 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1tpn h LEU 26 CO 0.61 -0.00 0.00 0.54 -1.08 0.00 0.00 178.44 178.51 1tpn n ARG 27 N -2.00 0.28 0.00 1.13 1.74 -1.26 -5.07 116.66 111.47 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 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 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 -0.36 0.55 7.64 -1.26 -5.04 113.62 115.15 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 0.00 -4.88 6.43 6.94 -1.26 -5.01 115.26 117.48 1tpn n ASN 29 Ca 0.00 -1.46 -0.31 0.00 -0.02 0.00 0.00 54.58 52.78 1tpn n ASN 29 Cb 0.00 -0.09 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1tpn s ARG 30 N 0.00 3.76 -0.11 -3.83 0.52 -1.26 -4.20 118.95 113.84 1tpn s ARG 30 Ca 0.00 0.21 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 1tpn s ARG 30 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1tpn s ARG 30 CO 0.00 0.32 0.21 0.14 0.02 0.00 0.00 175.30 175.98 1tpn s VAL 31 N -1.84 5.38 -0.21 3.52 -7.23 -1.17 -3.84 120.40 115.02 1tpn s VAL 31 Ca 0.46 0.36 -0.21 0.00 -1.81 0.00 0.00 61.98 60.79 1tpn s VAL 31 Cb -0.11 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 1tpn s VAL 31 CO 0.23 0.58 0.64 -1.61 -0.31 0.00 0.00 175.10 174.62 1tpn s GLU 32 N -0.80 4.19 -0.19 4.82 2.02 -0.74 -3.14 118.70 124.87 1tpn s GLU 32 Ca 0.16 0.61 -0.11 0.00 0.02 0.00 0.00 54.97 55.65 1tpn s GLU 32 Cb -0.13 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.46 1tpn s GLU 32 CO 0.05 -0.29 0.19 -0.47 0.02 0.00 0.00 175.26 174.77 1tpn s TYR 33 N 2.07 3.42 -0.12 1.61 6.14 0.36 0.21 117.35 131.04 1tpn s TYR 33 Ca 0.28 0.42 -0.04 0.00 0.64 0.00 0.00 57.07 58.38 1tpn s TYR 33 Cb -0.16 -2.23 0.06 0.00 0.42 0.00 0.00 41.96 40.05 1tpn s TYR 33 CO 0.10 0.26 0.12 0.00 0.64 0.00 0.00 175.55 176.67 1tpn s TRP 35 N 2.21 1.33 -0.22 0.00 -2.14 0.23 -0.27 118.94 120.09 1tpn s TRP 35 Ca 0.04 -0.45 -0.27 0.00 2.66 0.00 0.00 56.10 58.07 1tpn s TRP 35 Cb -0.14 -0.74 0.00 0.00 -3.10 0.00 0.00 33.47 29.49 1tpn s TRP 35 CO -0.07 0.09 0.95 0.00 -2.66 0.00 0.00 176.95 175.26 1tpn n ASN 37 N 6.00 0.51 0.00 0.00 5.15 -1.26 -0.23 115.26 125.44 1tpn n ASN 37 Ca 0.09 -0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1tpn n ASN 37 Cb 0.47 1.13 0.00 0.00 -0.53 0.00 0.00 39.78 40.85 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1tpn n SER 38 N -2.09 0.00 0.00 1.20 3.41 -1.26 -4.86 113.62 110.01 1tpn n SER 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tpn n SER 38 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.73 0.00 0.21 5.00 0.00 -1.26 -4.50 105.19 103.91 1tpn n GLY 39 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 1.66 -2.31 1.61 1.85 -1.26 -4.83 116.66 113.37 1tpn n ARG 40 Ca 0.00 -0.64 -0.04 0.00 -1.00 0.00 0.00 57.85 56.17 1tpn n ARG 40 Cb 0.00 -1.04 -0.03 0.00 -1.05 0.00 0.00 32.46 30.34 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 -0.10 -3.54 -2.30 2.89 0.00 -1.26 -4.98 120.51 111.21 1tpn n ALA 41 Ca 0.03 1.77 -0.34 0.00 0.00 0.00 0.00 53.44 54.90 1tpn n ALA 41 Cb 0.16 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.10 1tpn n ALA 41 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tpn s GLN 42 N -0.78 3.98 0.11 0.00 -1.52 0.41 -4.87 119.66 117.00 1tpn s GLN 42 Ca -0.21 0.52 -0.13 0.00 -1.95 0.00 0.00 55.36 53.59 1tpn s GLN 42 Cb 0.01 -2.78 0.02 0.00 -0.22 0.00 0.00 33.01 30.04 1tpn s GLN 42 CO 0.59 0.38 0.32 0.00 -0.25 0.00 0.00 175.29 176.34 1tpn n HIS 44 N -0.16 -1.54 -3.63 0.00 1.44 0.36 -4.98 115.22 106.70 1tpn n HIS 44 Ca -0.16 -1.27 -0.19 0.00 -2.01 0.00 0.00 57.72 54.09 1tpn n HIS 44 Cb 0.63 0.48 -0.16 0.00 0.12 0.00 0.00 29.99 31.06 1tpn n HIS 44 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1tpn s SER 45 N -2.30 1.21 -0.15 4.39 0.15 -1.26 -0.49 113.70 115.25 1tpn s SER 45 Ca 0.13 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 1tpn s SER 45 Cb -0.02 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1tpn s SER 45 CO 0.10 -0.28 -0.11 -0.69 1.20 0.00 0.00 173.24 173.46 1tpn s VAL 46 N 2.24 3.15 1.43 4.45 1.01 -1.19 -4.97 120.40 126.52 1tpn s VAL 46 Ca 0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1tpn s VAL 46 Cb -0.13 -2.35 0.37 0.00 0.00 0.00 0.00 36.38 34.27 1tpn s VAL 46 CO -0.06 0.50 0.90 -0.81 0.00 0.00 0.00 175.10 175.63 1tpn n PRO 47 N 3.84 -4.47 0.06 2.72 -0.04 -1.26 -3.05 135.00 132.80 1tpn n PRO 47 Ca -0.18 -1.32 0.12 0.00 -0.04 0.00 0.00 63.50 62.08 1tpn n PRO 47 Cb 0.52 -1.97 0.11 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.49 0.00 -3.40 0.52 3.04 -1.96 -3.45 116.25 107.52 1tpn h VAL 48 Ca -0.45 -0.58 -0.56 0.00 -1.01 0.00 0.00 66.70 64.10 1tpn h VAL 48 Cb 1.34 1.09 -0.07 0.00 -2.01 0.00 0.00 31.29 31.65 1tpn h VAL 48 CO 0.30 0.00 0.98 -0.75 -1.01 0.00 0.00 177.57 177.08 1tpn s LYS 49 N -3.21 3.59 0.00 4.17 2.20 -1.26 -5.16 119.74 120.07 1tpn s LYS 49 Ca 0.04 0.47 0.27 0.00 -0.36 0.00 0.00 55.97 56.40 1tpn s LYS 49 Cb 0.13 -3.98 1.61 0.00 -1.51 0.00 0.00 37.83 34.08 1tpn s LYS 49 CO 0.75 -1.57 1.96 -1.13 -0.36 0.00 0.00 175.35 175.00