#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 3.46 -0.21 1.43 1.51 -1.26 -4.95 117.35 117.33 1tpn s TYR 2 Ca 0.00 0.74 -0.39 0.00 -1.01 0.00 0.00 57.07 56.41 1tpn s TYR 2 Cb 0.00 -2.43 -0.15 0.00 -0.11 0.00 0.00 41.96 39.26 1tpn s TYR 2 CO 0.00 -0.45 1.72 1.04 -1.11 0.00 0.00 175.55 176.76 1tpn n GLN 3 N -2.35 1.32 0.00 -0.62 6.02 -1.26 -4.80 117.38 115.68 1tpn n GLN 3 Ca 0.02 0.48 0.15 0.00 -0.01 0.00 0.00 57.00 57.64 1tpn n GLN 3 Cb 0.56 -2.19 0.70 0.00 1.02 0.00 0.00 30.24 30.33 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 4.45 0.00 -3.84 5.09 0.24 -1.26 -4.13 118.33 118.88 1tpn n VAL 4 Ca 0.25 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.34 62.24 1tpn n VAL 4 Cb 0.16 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.14 4.79 -0.17 1.34 -4.36 -1.26 0.77 121.20 120.17 1tpn s ILE 5 Ca 0.39 -1.04 -0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1tpn s ILE 5 Cb 0.21 -3.67 0.06 0.00 1.25 0.00 0.00 42.46 40.31 1tpn s ILE 5 CO 0.39 -0.28 0.07 0.00 0.24 0.00 0.00 174.94 175.37 1tpn s ARG 7 N 2.07 4.24 -0.21 0.00 3.52 -1.26 -0.77 118.95 126.53 1tpn s ARG 7 Ca 0.01 0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 56.22 1tpn s ARG 7 Cb -0.16 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 1tpn s ARG 7 CO -0.08 -0.21 0.00 0.34 -0.81 0.00 0.00 175.30 174.54 1tpn s ASP 8 N 1.14 4.78 0.00 -2.12 -1.08 -0.85 -4.94 116.67 113.60 1tpn s ASP 8 Ca 0.30 -0.24 0.29 0.00 -0.52 0.00 0.00 52.55 52.38 1tpn s ASP 8 Cb -0.16 -1.82 1.24 0.00 -1.46 0.00 0.00 42.92 40.71 1tpn s ASP 8 CO 0.11 0.03 1.85 -1.84 0.52 0.00 0.00 175.17 175.85 1tpn n GLU 9 N 4.46 1.11 0.06 4.34 0.28 -1.26 -0.20 120.64 129.43 1tpn n GLU 9 Ca -0.17 -0.48 0.13 0.00 -0.16 0.00 0.00 57.16 56.48 1tpn n GLU 9 Cb 0.52 -1.49 0.35 0.00 1.43 0.00 0.00 31.44 32.25 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 -0.53 0.19 0.00 3.44 4.01 -1.26 -4.15 118.16 119.86 1tpn n LYS 10 Ca 0.18 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1tpn n LYS 10 Cb 0.28 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 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 -1.99 0.00 -2.98 -0.18 5.66 -1.23 -4.97 114.28 108.59 1tpn n THR 11 Ca 0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.93 1tpn n THR 11 Cb 0.41 0.59 0.05 0.00 -1.55 0.00 0.00 70.33 69.83 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 -4.16 -4.34 1.09 6.02 0.72 -5.03 117.38 111.68 1tpn n GLN 12 Ca 0.00 0.47 -0.19 0.00 -0.01 0.00 0.00 57.00 57.27 1tpn n GLN 12 Cb 0.00 -4.40 -0.15 0.00 1.02 0.00 0.00 30.24 26.71 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 -5.31 0.79 0.02 -1.09 1.75 -0.99 -4.96 119.30 109.52 1tpn s MET 13 Ca 0.18 -0.29 -0.07 0.00 -1.25 0.00 0.00 55.69 54.27 1tpn s MET 13 Cb -0.08 -0.76 -0.05 0.00 2.84 0.00 0.00 34.83 36.78 1tpn s MET 13 CO 0.41 0.14 0.28 0.42 -0.65 0.00 0.00 175.02 175.62 1tpn s ILE 14 N 0.03 5.28 0.34 10.11 1.01 -1.26 -2.00 121.20 134.71 1tpn s ILE 14 Ca -0.00 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1tpn s ILE 14 Cb -0.06 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 1tpn s ILE 14 CO -0.00 0.35 0.04 -0.31 0.00 0.00 0.00 174.94 175.02 1tpn s TYR 15 N -1.31 2.11 0.50 3.97 1.51 0.05 -4.90 117.35 119.28 1tpn s TYR 15 Ca 0.28 -0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1tpn s TYR 15 Cb -0.13 -1.41 0.11 0.00 -0.11 0.00 0.00 41.96 40.42 1tpn s TYR 15 CO 0.16 0.14 0.68 1.04 -1.11 0.00 0.00 175.55 176.46 1tpn n GLN 16 N -0.75 -0.21 -1.97 -0.62 6.02 -1.26 -0.04 117.38 118.54 1tpn n GLN 16 Ca -0.03 -1.48 -0.32 0.00 -0.01 0.00 0.00 57.00 55.16 1tpn n GLN 16 Cb 0.67 -0.57 0.02 0.00 1.02 0.00 0.00 30.24 31.37 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 -4.32 3.26 -1.74 -1.09 0.74 0.23 -3.50 119.66 113.24 1tpn s GLN 17 Ca 0.42 1.16 -0.21 0.00 0.05 0.00 0.00 55.36 56.78 1tpn s GLN 17 Cb -0.02 -2.03 0.20 0.00 1.10 0.00 0.00 33.01 32.27 1tpn s GLN 17 CO 0.29 -0.85 0.63 0.72 -0.55 0.00 0.00 175.29 175.52 1tpn n HIS 18 N -2.20 -1.38 -4.54 1.67 8.25 -0.99 -4.90 115.22 111.12 1tpn n HIS 18 Ca 0.08 0.69 -0.33 0.00 -0.26 0.00 0.00 57.72 57.90 1tpn n HIS 18 Cb 0.53 -2.17 -0.15 0.00 1.12 0.00 0.00 29.99 29.32 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 -7.03 3.31 -0.11 -0.41 0.74 -1.23 -4.86 119.66 110.07 1tpn s GLN 19 Ca 0.77 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 1tpn s GLN 19 Cb -0.44 -2.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1tpn s GLN 19 CO 0.94 0.07 0.38 -1.54 -0.55 0.00 0.00 175.29 174.60 1tpn s SER 20 N 0.71 6.60 -0.15 6.67 1.04 -1.26 -2.21 113.70 125.10 1tpn s SER 20 Ca -0.06 0.71 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 1tpn s SER 20 Cb -0.15 -2.23 0.08 0.00 0.10 0.00 0.00 66.02 63.81 1tpn s SER 20 CO 0.02 0.10 0.28 -1.66 0.98 0.00 0.00 173.24 172.96 1tpn s TRP 21 N 0.23 -0.46 0.32 5.02 -2.14 -0.84 -4.99 118.94 116.08 1tpn s TRP 21 Ca 0.22 0.88 -0.27 0.00 2.66 0.00 0.00 56.10 59.59 1tpn s TRP 21 Cb -0.14 -0.06 -0.10 0.00 -3.10 0.00 0.00 33.47 30.07 1tpn s TRP 21 CO 0.08 -0.43 0.95 -0.51 -2.66 0.00 0.00 176.95 174.38 1tpn s LEU 22 N 2.43 4.37 0.23 -4.66 2.01 -1.26 -2.85 118.68 118.95 1tpn s LEU 22 Ca 0.03 1.87 0.10 0.00 0.01 0.00 0.00 54.13 56.14 1tpn s LEU 22 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 46.19 42.06 1tpn s LEU 22 CO -0.10 -0.06 -0.11 -0.13 1.01 0.00 0.00 176.35 176.96 1tpn s ARG 23 N -1.95 1.98 1.19 1.70 3.00 0.74 -4.97 118.95 120.64 1tpn s ARG 23 Ca 0.49 -1.45 -0.18 0.00 0.00 0.00 0.00 55.73 54.60 1tpn s ARG 23 Cb -0.20 -2.04 0.28 0.00 0.00 0.00 0.00 34.95 32.99 1tpn s ARG 23 CO 0.25 0.39 0.63 -2.30 0.00 0.00 0.00 175.30 174.27 1tpn n PRO 24 N -0.33 -3.15 -2.27 3.54 -0.02 -1.26 -1.92 135.00 129.59 1tpn n PRO 24 Ca -0.09 -1.06 -0.28 0.00 -2.02 0.00 0.00 63.50 60.06 1tpn n PRO 24 Cb 0.57 -1.61 0.03 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.02 3.75 0.00 -1.45 -7.23 -1.24 -3.62 120.40 108.59 1tpn s VAL 25 Ca 0.49 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1tpn s VAL 25 Cb -0.09 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1tpn s VAL 25 CO 0.41 -0.56 0.04 0.00 -0.31 0.00 0.00 175.10 174.68 1tpn n LEU 26 N -2.67 2.16 0.00 1.32 -0.00 -1.26 -4.88 117.00 111.67 1tpn n LEU 26 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1tpn n LEU 26 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1tpn n LEU 26 CO 0.54 0.00 -0.04 0.54 -0.00 0.00 0.00 177.39 178.43 1tpn n ARG 27 N -0.40 2.85 0.00 1.47 1.74 -1.26 -5.03 116.66 116.04 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 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 -0.41 0.00 -0.56 0.55 7.64 -1.26 -5.04 113.62 114.54 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 0.59 -3.01 0.00 0.00 175.04 172.62 1tpn n ASN 29 N 0.00 -0.00 -4.91 6.43 4.13 -1.26 -5.01 115.26 114.64 1tpn n ASN 29 Ca 0.00 -1.52 -0.24 0.00 1.68 0.00 0.00 54.58 54.50 1tpn n ASN 29 Cb 0.00 -0.09 0.06 0.00 -1.54 0.00 0.00 39.78 38.21 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1tpn s ARG 30 N 0.00 2.26 -0.07 3.52 0.52 -1.26 -4.35 118.95 119.57 1tpn s ARG 30 Ca 0.01 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1tpn s ARG 30 Cb 0.02 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 1tpn s ARG 30 CO -0.01 -1.06 -0.13 0.14 0.02 0.00 0.00 175.30 174.26 1tpn s VAL 31 N -3.04 3.13 -0.43 3.52 -7.23 -1.24 -3.64 120.40 111.46 1tpn s VAL 31 Ca 0.60 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 1tpn s VAL 31 Cb -0.10 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1tpn s VAL 31 CO 0.42 0.57 0.72 -1.61 -0.31 0.00 0.00 175.10 174.90 1tpn s GLU 32 N -0.42 3.40 -0.57 4.82 2.02 -0.81 -3.63 118.70 123.50 1tpn s GLU 32 Ca 0.05 -0.17 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 1tpn s GLU 32 Cb -0.12 -3.93 0.08 0.00 0.10 0.00 0.00 34.13 30.26 1tpn s GLU 32 CO 0.02 -1.04 0.74 -0.47 0.02 0.00 0.00 175.26 174.54 1tpn s TYR 33 N 3.07 2.94 -0.29 1.61 6.14 -0.32 -0.18 117.35 130.31 1tpn s TYR 33 Ca 0.27 -0.66 -0.01 0.00 0.64 0.00 0.00 57.07 57.31 1tpn s TYR 33 Cb -0.13 -3.91 0.05 0.00 0.42 0.00 0.00 41.96 38.39 1tpn s TYR 33 CO 0.21 -1.28 -0.02 0.00 0.64 0.00 0.00 175.55 175.10 1tpn s TRP 35 N 1.23 2.27 0.10 0.00 -2.14 0.53 -1.98 118.94 118.94 1tpn s TRP 35 Ca -0.06 -0.41 -0.30 0.00 2.66 0.00 0.00 56.10 57.99 1tpn s TRP 35 Cb -0.20 -1.34 -0.06 0.00 -3.10 0.00 0.00 33.47 28.77 1tpn s TRP 35 CO -0.02 0.15 1.13 0.00 -2.66 0.00 0.00 176.95 175.54 1tpn n ASN 37 N 3.28 0.59 0.00 0.00 4.05 -1.26 -2.35 115.26 119.57 1tpn n ASN 37 Ca 0.06 -1.18 0.00 0.00 0.45 0.00 0.00 54.58 53.91 1tpn n ASN 37 Cb 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1tpn n ASN 37 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1tpn n SER 38 N -0.09 0.00 0.00 1.20 2.88 -1.26 -4.98 113.62 111.37 1tpn n SER 38 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1tpn n SER 38 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.60 0.08 0.46 0.00 -1.26 -4.44 105.19 100.60 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 -0.50 -1.91 1.61 1.85 -1.26 -4.70 116.66 111.76 1tpn n ARG 40 Ca 0.00 -0.68 -0.02 0.00 -1.00 0.00 0.00 57.85 56.15 1tpn n ARG 40 Cb 0.00 -1.04 -0.02 0.00 -1.05 0.00 0.00 32.46 30.36 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 0.08 -3.27 -2.26 2.89 0.00 -1.26 -4.95 120.51 111.73 1tpn n ALA 41 Ca 0.01 0.89 -0.37 0.00 0.00 0.00 0.00 53.44 53.97 1tpn n ALA 41 Cb 0.06 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.87 4.15 0.22 0.00 -0.44 0.51 -4.85 119.66 118.38 1tpn s GLN 42 Ca -0.11 0.70 -0.12 0.00 -2.50 0.00 0.00 55.36 53.33 1tpn s GLN 42 Cb 0.01 -3.09 -0.00 0.00 -1.64 0.00 0.00 33.01 28.28 1tpn s GLN 42 CO 0.30 0.55 0.42 0.00 0.50 0.00 0.00 175.29 177.06 1tpn n HIS 44 N -0.33 -1.63 -3.67 0.00 1.44 0.60 -4.98 115.22 106.64 1tpn n HIS 44 Ca -0.04 -1.45 -0.11 0.00 -2.01 0.00 0.00 57.72 54.11 1tpn n HIS 44 Cb 0.62 0.54 -0.12 0.00 0.12 0.00 0.00 29.99 31.16 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 -2.48 -0.01 -0.23 4.39 0.15 -1.26 -1.18 113.70 113.07 1tpn s SER 45 Ca 0.15 0.76 -0.03 0.00 0.70 0.00 0.00 55.95 57.52 1tpn s SER 45 Cb -0.02 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1tpn s SER 45 CO 0.11 -0.22 -0.05 -0.69 1.20 0.00 0.00 173.24 173.59 1tpn s VAL 46 N 2.25 3.19 1.31 4.45 1.01 -1.24 -4.98 120.40 126.39 1tpn s VAL 46 Ca -0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1tpn s VAL 46 Cb -0.11 -2.52 0.31 0.00 0.00 0.00 0.00 36.38 34.06 1tpn s VAL 46 CO -0.10 0.33 0.73 -2.65 0.00 0.00 0.00 175.10 173.40 1tpn n PRO 47 N 4.75 -3.71 0.08 2.72 -0.02 -1.26 -3.70 135.00 133.86 1tpn n PRO 47 Ca -0.17 -1.09 0.12 0.00 -2.02 0.00 0.00 63.50 60.33 1tpn n PRO 47 Cb 0.49 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.18 0.00 -2.18 -1.45 3.04 -1.95 -3.46 116.25 107.06 1tpn h VAL 48 Ca -0.42 -0.63 -0.60 0.00 -1.01 0.00 0.00 66.70 64.03 1tpn h VAL 48 Cb 1.22 1.23 0.05 0.00 -2.01 0.00 0.00 31.29 31.78 1tpn h VAL 48 CO 0.28 0.00 0.84 2.29 -1.01 0.00 0.00 177.57 179.97 1tpn n LYS 49 N -2.30 2.08 0.00 4.17 -0.00 -1.26 -5.19 118.16 115.67 1tpn n LYS 49 Ca 0.03 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 1tpn n LYS 49 Cb 0.47 -2.53 0.00 0.00 -0.00 0.00 0.00 35.03 32.97 1tpn n LYS 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83