#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 1.68 -0.32 7.33 1.51 -1.26 -5.07 117.35 121.22 1tpn s TYR 2 Ca 0.00 0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1tpn s TYR 2 Cb 0.00 -3.93 0.12 0.00 -0.11 0.00 0.00 41.96 38.04 1tpn s TYR 2 CO 0.00 -2.46 0.16 -0.65 -1.11 0.00 0.00 175.55 171.49 1tpn s GLN 3 N -5.77 0.44 0.09 -0.62 -0.21 -1.26 -4.96 119.66 107.37 1tpn s GLN 3 Ca 0.72 -0.95 0.23 0.00 0.02 0.00 0.00 55.36 55.38 1tpn s GLN 3 Cb -0.04 -1.38 0.17 0.00 1.00 0.00 0.00 33.01 32.76 1tpn s GLN 3 CO 0.52 -1.09 1.15 1.33 -2.12 0.00 0.00 175.29 175.07 1tpn n VAL 4 N 4.69 0.29 -2.49 1.09 0.24 -1.26 -3.74 118.33 117.15 1tpn n VAL 4 Ca 0.01 -0.29 -0.24 0.00 -2.04 0.00 0.00 64.34 61.79 1tpn n VAL 4 Cb 0.40 0.01 0.09 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.20 2.27 -0.19 1.34 -4.36 -1.26 -0.12 121.20 115.68 1tpn s ILE 5 Ca 0.04 -0.52 -0.04 0.00 -0.26 0.00 0.00 60.65 59.87 1tpn s ILE 5 Cb 0.14 -2.75 0.08 0.00 1.25 0.00 0.00 42.46 41.18 1tpn s ILE 5 CO 0.77 0.00 0.20 0.00 0.24 0.00 0.00 174.94 176.15 1tpn s ARG 7 N 2.30 3.67 -0.22 0.00 3.52 -1.26 -0.48 118.95 126.48 1tpn s ARG 7 Ca 0.06 0.10 -0.08 0.00 -0.13 0.00 0.00 55.73 55.68 1tpn s ARG 7 Cb -0.15 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1tpn s ARG 7 CO -0.11 -0.80 0.10 0.34 -0.81 0.00 0.00 175.30 174.02 1tpn s ASP 8 N 1.83 5.62 0.00 -2.12 2.15 -1.05 -4.96 116.67 118.14 1tpn s ASP 8 Ca 0.27 -0.01 0.29 0.00 0.43 0.00 0.00 52.55 53.53 1tpn s ASP 8 Cb -0.14 -2.00 1.35 0.00 -0.30 0.00 0.00 42.92 41.84 1tpn s ASP 8 CO 0.16 0.07 1.92 -1.84 -0.17 0.00 0.00 175.17 175.30 1tpn n GLU 9 N 4.24 1.41 0.00 4.34 0.28 -1.26 0.14 120.64 129.80 1tpn n GLU 9 Ca -0.16 -0.61 0.13 0.00 -0.16 0.00 0.00 57.16 56.36 1tpn n GLU 9 Cb 0.52 -1.49 0.47 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.26 0.02 0.00 3.44 3.00 -1.26 -4.13 118.16 118.96 1tpn n LYS 10 Ca 0.21 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1tpn n LYS 10 Cb 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.78 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 -1.54 0.00 -3.47 3.15 5.66 -1.22 -4.98 114.28 111.88 1tpn n THR 11 Ca 0.06 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.87 1tpn n THR 11 Cb 0.34 0.60 0.08 0.00 -1.55 0.00 0.00 70.33 69.81 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 -7.02 -4.85 1.09 6.02 0.12 -4.99 117.38 107.75 1tpn n GLN 12 Ca 0.00 0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 57.55 1tpn n GLN 12 Cb 0.04 -5.80 -0.16 0.00 1.02 0.00 0.00 30.24 25.34 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 -5.71 1.95 -0.14 -1.09 1.75 -1.03 -4.95 119.30 110.09 1tpn s MET 13 Ca 0.23 -0.62 -0.20 0.00 -1.25 0.00 0.00 55.69 53.85 1tpn s MET 13 Cb -0.10 -1.64 -0.04 0.00 2.84 0.00 0.00 34.83 35.89 1tpn s MET 13 CO 0.71 0.20 0.57 0.42 -0.65 0.00 0.00 175.02 176.27 1tpn s ILE 14 N 0.19 5.10 0.19 10.11 -1.09 -1.26 -2.52 121.20 131.92 1tpn s ILE 14 Ca -0.08 1.12 0.07 0.00 -2.23 0.00 0.00 60.65 59.54 1tpn s ILE 14 Cb -0.13 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1tpn s ILE 14 CO 0.03 0.24 0.03 -0.31 -1.23 0.00 0.00 174.94 173.70 1tpn s TYR 15 N 1.11 2.89 0.52 3.97 2.02 0.37 -4.86 117.35 123.37 1tpn s TYR 15 Ca 0.29 -0.13 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 1tpn s TYR 15 Cb -0.16 -1.37 0.12 0.00 -0.40 0.00 0.00 41.96 40.14 1tpn s TYR 15 CO 0.12 0.53 0.71 1.04 -1.57 0.00 0.00 175.55 176.39 1tpn n GLN 16 N -0.35 -0.42 -2.25 -0.62 6.02 -1.26 0.10 117.38 118.60 1tpn n GLN 16 Ca -0.09 -1.35 -0.38 0.00 -0.01 0.00 0.00 57.00 55.17 1tpn n GLN 16 Cb 0.56 -0.66 -0.01 0.00 1.02 0.00 0.00 30.24 31.15 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 -4.45 3.86 -1.17 -1.09 0.74 0.83 -2.66 119.66 115.71 1tpn s GLN 17 Ca 0.43 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1tpn s GLN 17 Cb -0.02 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.57 1tpn s GLN 17 CO 0.29 -0.48 0.00 0.72 -0.55 0.00 0.00 175.29 175.27 1tpn n HIS 18 N -0.26 -1.03 -3.53 1.67 8.25 0.67 -4.90 115.22 116.09 1tpn n HIS 18 Ca 0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 1tpn n HIS 18 Cb 0.47 -2.67 -0.08 0.00 1.12 0.00 0.00 29.99 28.83 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 -4.28 4.15 -0.08 -0.41 0.74 -1.09 -4.80 119.66 113.88 1tpn s GLN 19 Ca 0.00 -0.01 -0.15 0.00 0.05 0.00 0.00 55.36 55.25 1tpn s GLN 19 Cb 0.00 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1tpn s GLN 19 CO 0.00 0.06 0.37 -1.54 -0.55 0.00 0.00 175.29 173.63 1tpn s SER 20 N 0.93 6.64 -0.14 6.67 1.04 -1.26 -2.13 113.70 125.46 1tpn s SER 20 Ca 0.14 0.76 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1tpn s SER 20 Cb -0.14 -2.23 0.07 0.00 0.10 0.00 0.00 66.02 63.82 1tpn s SER 20 CO 0.05 0.19 0.28 -1.66 0.98 0.00 0.00 173.24 173.08 1tpn s TRP 21 N -0.25 -0.45 0.53 5.02 -2.14 0.26 -4.99 118.94 116.91 1tpn s TRP 21 Ca 0.21 1.01 -0.17 0.00 2.66 0.00 0.00 56.10 59.82 1tpn s TRP 21 Cb -0.15 -0.01 -0.07 0.00 -3.10 0.00 0.00 33.47 30.14 1tpn s TRP 21 CO 0.09 -0.37 1.00 -0.51 -2.66 0.00 0.00 176.95 174.51 1tpn s LEU 22 N 2.44 3.62 0.09 -4.66 2.01 -1.26 -3.11 118.68 117.80 1tpn s LEU 22 Ca 0.01 1.64 0.04 0.00 0.01 0.00 0.00 54.13 55.83 1tpn s LEU 22 Cb -0.12 -4.52 -0.03 0.00 0.01 0.00 0.00 46.19 41.53 1tpn s LEU 22 CO -0.09 -0.71 -0.11 -0.13 1.01 0.00 0.00 176.35 176.32 1tpn s ARG 23 N -4.00 0.84 1.18 1.70 0.52 0.91 -4.96 118.95 115.13 1tpn s ARG 23 Ca 0.60 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 54.54 1tpn s ARG 23 Cb -0.11 -0.62 0.21 0.00 0.52 0.00 0.00 34.95 34.94 1tpn s ARG 23 CO 0.31 0.11 0.44 -2.30 0.02 0.00 0.00 175.30 173.88 1tpn n PRO 24 N 0.76 -2.33 -2.64 3.54 -0.02 -1.26 -1.73 135.00 131.32 1tpn n PRO 24 Ca -0.17 -0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 60.35 1tpn n PRO 24 Cb 0.57 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 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 -2.26 4.81 -0.01 -1.45 -7.23 -1.25 -3.99 120.40 109.02 1tpn s VAL 25 Ca 0.60 0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 61.22 1tpn s VAL 25 Cb -0.16 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 1tpn s VAL 25 CO 0.63 -0.72 0.59 -0.07 -0.31 0.00 0.00 175.10 175.21 1tpn h LEU 26 N 0.68 -0.21 0.00 1.32 3.38 -1.94 -3.46 115.31 115.08 1tpn h LEU 26 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1tpn h LEU 26 Cb 1.19 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1tpn h LEU 26 CO 0.63 -0.05 0.00 -2.11 0.09 0.00 0.00 178.44 176.99 1tpn n ARG 27 N -3.21 0.77 0.00 1.13 1.85 -1.26 -5.08 116.66 110.86 1tpn n ARG 27 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1tpn n ARG 27 Cb 0.10 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 1tpn n ARG 27 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1tpn n SER 28 N 0.00 0.00 -0.38 2.89 7.64 -1.26 -5.02 113.62 117.49 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 -4.90 6.43 2.85 -1.26 -5.05 115.26 113.33 1tpn n ASN 29 Ca 0.00 -1.33 -0.26 0.00 -0.11 0.00 0.00 54.58 52.88 1tpn n ASN 29 Cb 0.00 -0.07 -0.04 0.00 1.24 0.00 0.00 39.78 40.92 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1tpn s ARG 30 N 0.00 3.29 -0.06 1.20 0.52 -1.26 -4.33 118.95 118.30 1tpn s ARG 30 Ca 0.00 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 1tpn s ARG 30 Cb 0.00 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1tpn s ARG 30 CO 0.00 0.51 0.22 0.14 0.02 0.00 0.00 175.30 176.19 1tpn s VAL 31 N -1.74 5.38 -0.42 3.52 -7.23 -1.21 -3.93 120.40 114.77 1tpn s VAL 31 Ca 0.34 0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 60.57 1tpn s VAL 31 Cb -0.11 -3.50 0.02 0.00 0.56 0.00 0.00 36.38 33.35 1tpn s VAL 31 CO 0.27 0.54 0.73 -1.61 -0.31 0.00 0.00 175.10 174.72 1tpn s GLU 32 N -1.25 3.46 -0.39 4.82 0.41 -0.71 -3.56 118.70 121.48 1tpn s GLU 32 Ca 0.20 -0.09 -0.14 0.00 -0.41 0.00 0.00 54.97 54.53 1tpn s GLU 32 Cb -0.13 -3.91 0.01 0.00 -1.78 0.00 0.00 34.13 28.33 1tpn s GLU 32 CO 0.09 -1.00 0.27 -0.47 -0.49 0.00 0.00 175.26 173.66 1tpn s TYR 33 N 3.07 3.24 0.03 1.61 5.04 -1.08 -0.06 117.35 129.20 1tpn s TYR 33 Ca 0.28 -0.59 0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1tpn s TYR 33 Cb -0.13 -2.54 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 1tpn s TYR 33 CO 0.20 -0.56 -0.10 0.00 -1.34 0.00 0.00 175.55 173.75 1tpn s TRP 35 N -0.81 0.21 -0.37 0.00 -2.14 0.95 -0.58 118.94 116.20 1tpn s TRP 35 Ca -0.02 -0.46 -0.29 0.00 2.66 0.00 0.00 56.10 57.99 1tpn s TRP 35 Cb -0.07 -0.16 0.01 0.00 -3.10 0.00 0.00 33.47 30.15 1tpn s TRP 35 CO 0.01 -0.26 1.30 0.00 -2.66 0.00 0.00 176.95 175.34 1tpn h ASN 37 N 9.72 0.00 0.00 0.00 -0.73 -1.91 0.19 115.58 122.86 1tpn h ASN 37 Ca -0.26 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 57.80 1tpn h ASN 37 Cb 1.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.68 1tpn h ASN 37 CO 1.07 0.06 0.00 -0.24 -0.37 0.00 0.00 177.43 177.95 1tpn n SER 38 N -2.24 0.00 0.00 1.15 2.88 -1.26 -4.82 113.62 109.33 1tpn n SER 38 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1tpn n SER 38 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.33 0.22 0.46 0.00 -1.25 -4.22 105.19 99.98 1tpn n GLY 39 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.33 -2.72 1.61 1.85 -1.26 -4.86 116.66 112.62 1tpn n ARG 40 Ca 0.00 -1.26 -0.04 0.00 -1.00 0.00 0.00 57.85 55.56 1tpn n ARG 40 Cb 0.00 -1.10 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 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 0.07 -3.27 -2.64 2.89 0.00 -1.26 -4.90 120.51 111.40 1tpn n ALA 41 Ca 0.04 1.62 -0.41 0.00 0.00 0.00 0.00 53.44 54.69 1tpn n ALA 41 Cb 0.22 -3.25 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 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 -0.83 4.15 0.09 0.00 -0.44 0.22 -4.88 119.66 117.97 1tpn s GLN 42 Ca -0.18 0.61 0.07 0.00 -2.50 0.00 0.00 55.36 53.36 1tpn s GLN 42 Cb 0.01 -3.63 -0.03 0.00 -1.64 0.00 0.00 33.01 27.72 1tpn s GLN 42 CO 0.67 -0.37 -0.18 0.00 0.50 0.00 0.00 175.29 175.91 1tpn n HIS 44 N 1.15 -0.62 -3.69 0.00 1.44 -0.60 -4.99 115.22 107.90 1tpn n HIS 44 Ca -0.20 -1.34 -0.16 0.00 -2.01 0.00 0.00 57.72 54.01 1tpn n HIS 44 Cb 0.54 0.20 -0.15 0.00 0.12 0.00 0.00 29.99 30.70 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 -2.15 0.48 -0.06 4.39 0.15 -1.26 -2.63 113.70 112.61 1tpn s SER 45 Ca 0.18 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.19 1tpn s SER 45 Cb 0.00 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1tpn s SER 45 CO 0.13 -0.21 -0.14 0.54 1.20 0.00 0.00 173.24 174.75 1tpn s VAL 46 N 1.94 1.26 1.32 4.45 0.11 -1.23 -5.02 120.40 123.23 1tpn s VAL 46 Ca -0.01 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.25 1tpn s VAL 46 Cb -0.12 -1.12 0.32 0.00 -1.53 0.00 0.00 36.38 33.93 1tpn s VAL 46 CO -0.06 0.38 0.73 -2.65 -3.33 0.00 0.00 175.10 170.17 1tpn n PRO 47 N 3.50 -3.91 -1.35 1.54 -0.01 -1.26 -3.29 135.00 130.22 1tpn n PRO 47 Ca -0.20 -1.15 -0.40 0.00 -0.01 0.00 0.00 63.50 61.74 1tpn n PRO 47 Cb 0.53 -1.83 -0.03 0.00 -0.01 0.00 0.00 33.50 32.16 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 -5.37 2.88 -1.19 -1.45 3.14 -1.26 -4.73 118.33 110.35 1tpn n VAL 48 Ca 0.10 -2.27 -0.53 0.00 -2.96 0.00 0.00 64.34 58.68 1tpn n VAL 48 Cb 0.53 -2.45 -0.10 0.00 -1.06 0.00 0.00 33.84 30.76 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 5.83 0.00 0.00 1.45 4.81 -1.26 -5.15 118.16 123.84 1tpn n LYS 49 Ca 0.54 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 58.13 1tpn n LYS 49 Cb 0.34 -1.27 0.79 0.00 0.02 0.00 0.00 35.03 34.92 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02