#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpn n TYR 2 N 0.00 -1.28 -3.30 0.66 9.36 -1.26 -5.00 117.16 116.34 1tpn n TYR 2 Ca 0.00 -1.41 -0.10 0.00 3.32 0.00 0.00 57.90 59.71 1tpn n TYR 2 Cb 0.00 0.41 0.01 0.00 -0.63 0.00 0.00 39.34 39.13 1tpn n TYR 2 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1tpn n GLN 3 N -0.36 -1.46 0.00 2.98 7.27 -1.26 -4.93 117.38 119.63 1tpn n GLN 3 Ca -0.01 1.16 0.00 0.00 0.07 0.00 0.00 57.00 58.22 1tpn n GLN 3 Cb 0.37 -4.90 0.00 0.00 2.41 0.00 0.00 30.24 28.12 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1tpn n VAL 4 N -2.38 0.00 -2.89 1.69 0.24 -1.26 -4.75 118.33 108.98 1tpn n VAL 4 Ca -0.08 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1tpn n VAL 4 Cb 0.56 0.31 0.03 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.38 0.00 -3.51 1.34 -5.35 -1.26 -0.90 119.36 109.30 1tpn n ILE 5 Ca 0.00 -0.80 -0.13 0.00 -0.27 0.00 0.00 62.75 61.55 1tpn n ILE 5 Cb 0.00 -0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 36.92 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 2.45 3.70 -0.25 0.00 3.52 -1.26 -1.38 118.95 125.72 1tpn s ARG 7 Ca 0.06 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.67 1tpn s ARG 7 Cb -0.14 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1tpn s ARG 7 CO -0.12 -0.76 0.19 0.34 -0.81 0.00 0.00 175.30 174.13 1tpn s ASP 8 N 1.80 6.12 0.00 -2.12 2.15 -0.90 -4.95 116.67 118.76 1tpn s ASP 8 Ca 0.26 0.11 0.30 0.00 0.43 0.00 0.00 52.55 53.65 1tpn s ASP 8 Cb -0.14 -2.12 1.40 0.00 -0.30 0.00 0.00 42.92 41.76 1tpn s ASP 8 CO 0.15 0.03 1.94 -1.84 -0.17 0.00 0.00 175.17 175.28 1tpn n GLU 9 N 4.49 1.34 0.04 4.34 0.28 -1.26 0.27 120.64 130.14 1tpn n GLU 9 Ca -0.14 -0.53 0.13 0.00 -0.16 0.00 0.00 57.16 56.45 1tpn n GLU 9 Cb 0.52 -1.49 0.41 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.36 0.13 0.00 3.44 3.00 -1.26 -4.14 118.16 118.97 1tpn n LYS 10 Ca 0.21 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1tpn n LYS 10 Cb 0.25 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.66 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 -1.84 0.00 -3.15 3.15 5.66 -1.22 -4.99 114.28 111.89 1tpn n THR 11 Ca 0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.91 1tpn n THR 11 Cb 0.38 0.55 0.06 0.00 -1.55 0.00 0.00 70.33 69.78 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 -5.23 -4.58 1.09 6.02 0.14 -5.02 117.38 109.80 1tpn n GLN 12 Ca 0.00 0.61 -0.22 0.00 -0.01 0.00 0.00 57.00 57.38 1tpn n GLN 12 Cb 0.00 -4.94 -0.15 0.00 1.02 0.00 0.00 30.24 26.17 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 -5.41 1.08 0.39 -1.09 1.75 -1.01 -4.95 119.30 110.06 1tpn s MET 13 Ca 0.19 -0.54 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 1tpn s MET 13 Cb -0.08 -1.05 -0.04 0.00 2.84 0.00 0.00 34.83 36.49 1tpn s MET 13 CO 0.53 0.28 0.66 0.42 -0.65 0.00 0.00 175.02 176.27 1tpn s ILE 14 N -0.42 4.98 0.06 10.11 -1.09 -1.26 -2.13 121.20 131.45 1tpn s ILE 14 Ca 0.05 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1tpn s ILE 14 Cb -0.06 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1tpn s ILE 14 CO -0.00 -0.62 0.03 -0.31 -1.23 0.00 0.00 174.94 172.81 1tpn s TYR 15 N -2.44 0.44 0.54 3.97 2.02 -0.48 -4.91 117.35 116.49 1tpn s TYR 15 Ca 0.45 -0.95 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1tpn s TYR 15 Cb -0.10 -0.31 0.12 0.00 -0.40 0.00 0.00 41.96 41.27 1tpn s TYR 15 CO 0.38 -0.43 0.73 1.04 -1.57 0.00 0.00 175.55 175.70 1tpn n GLN 16 N 0.06 -0.42 -2.53 -0.62 6.02 -1.26 -0.10 117.38 118.53 1tpn n GLN 16 Ca -0.14 -1.40 -0.39 0.00 -0.01 0.00 0.00 57.00 55.05 1tpn n GLN 16 Cb 0.61 -0.67 -0.04 0.00 1.02 0.00 0.00 30.24 31.16 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 -4.49 4.57 -1.77 -1.09 0.74 -0.08 -3.09 119.66 114.45 1tpn s GLN 17 Ca 0.44 1.70 0.00 0.00 0.05 0.00 0.00 55.36 57.55 1tpn s GLN 17 Cb -0.02 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1tpn s GLN 17 CO 0.30 0.18 0.00 0.72 -0.55 0.00 0.00 175.29 175.94 1tpn n HIS 18 N 0.96 -0.54 -3.56 1.67 8.25 0.11 -4.93 115.22 117.17 1tpn n HIS 18 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1tpn n HIS 18 Cb 0.46 -3.33 -0.08 0.00 1.12 0.00 0.00 29.99 28.16 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 -4.14 4.16 -0.05 -0.41 0.74 -1.18 -4.80 119.66 113.99 1tpn s GLN 19 Ca 0.00 -0.04 -0.17 0.00 0.05 0.00 0.00 55.36 55.20 1tpn s GLN 19 Cb 0.00 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1tpn s GLN 19 CO 0.00 0.11 0.45 -1.54 -0.55 0.00 0.00 175.29 173.76 1tpn s SER 20 N 0.81 6.77 -0.10 6.67 1.04 -1.26 -2.57 113.70 125.05 1tpn s SER 20 Ca 0.13 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 1tpn s SER 20 Cb -0.13 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.76 1tpn s SER 20 CO 0.04 0.17 0.21 -1.66 0.98 0.00 0.00 173.24 172.99 1tpn s TRP 21 N -0.29 -0.29 0.79 5.02 -2.14 0.67 -4.98 118.94 117.72 1tpn s TRP 21 Ca 0.25 0.74 -0.12 0.00 2.66 0.00 0.00 56.10 59.63 1tpn s TRP 21 Cb -0.16 -0.06 0.07 0.00 -3.10 0.00 0.00 33.47 30.21 1tpn s TRP 21 CO 0.12 -0.26 1.15 -0.51 -2.66 0.00 0.00 176.95 174.79 1tpn s LEU 22 N 1.76 2.58 0.06 -4.66 2.01 -1.26 -2.75 118.68 116.41 1tpn s LEU 22 Ca -0.04 0.94 -0.07 0.00 0.01 0.00 0.00 54.13 54.97 1tpn s LEU 22 Cb -0.11 -3.51 -0.01 0.00 0.01 0.00 0.00 46.19 42.57 1tpn s LEU 22 CO -0.07 -1.81 0.14 -0.13 1.01 0.00 0.00 176.35 175.49 1tpn s ARG 23 N -5.46 0.70 1.28 1.70 0.52 0.12 -4.93 118.95 112.89 1tpn s ARG 23 Ca 0.61 -0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 1tpn s ARG 23 Cb -0.12 0.28 0.32 0.00 0.52 0.00 0.00 34.95 35.95 1tpn s ARG 23 CO 0.51 -0.20 0.92 -0.35 0.02 0.00 0.00 175.30 176.20 1tpn n PRO 24 N 0.40 -3.28 -2.94 3.54 -0.04 -1.26 -1.80 135.00 129.62 1tpn n PRO 24 Ca -0.17 -0.94 -0.25 0.00 -0.04 0.00 0.00 63.50 62.09 1tpn n PRO 24 Cb 0.60 -2.06 -0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tpn s VAL 25 N -2.30 4.80 0.00 0.52 -7.23 -1.25 -3.87 120.40 111.08 1tpn s VAL 25 Ca 0.68 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.70 1tpn s VAL 25 Cb -0.21 -3.80 -0.00 0.00 0.56 0.00 0.00 36.38 32.93 1tpn s VAL 25 CO 0.63 -0.66 0.71 -0.07 -0.31 0.00 0.00 175.10 175.40 1tpn h LEU 26 N 0.42 -0.02 0.00 1.32 3.38 -1.95 -3.45 115.31 115.00 1tpn h LEU 26 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1tpn h LEU 26 Cb 1.22 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1tpn h LEU 26 CO 0.61 -0.01 0.00 -2.11 0.09 0.00 0.00 178.44 177.02 1tpn n ARG 27 N -2.08 2.36 0.00 1.13 1.85 -1.26 -5.06 116.66 113.59 1tpn n ARG 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1tpn n ARG 27 Cb 0.01 -0.20 0.00 0.00 -1.05 0.00 0.00 32.46 31.22 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 0.00 2.89 7.64 -1.26 -5.03 113.62 117.86 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 -4.73 6.43 5.15 -1.26 -5.00 115.26 115.85 1tpn n ASN 29 Ca 0.00 -1.00 -0.41 0.00 -0.60 0.00 0.00 54.58 52.57 1tpn n ASN 29 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1tpn s ARG 30 N 0.00 4.65 0.06 1.20 0.52 -1.26 -4.37 118.95 119.75 1tpn s ARG 30 Ca 0.00 1.40 -0.19 0.00 -0.52 0.00 0.00 55.73 56.42 1tpn s ARG 30 Cb 0.00 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 1tpn s ARG 30 CO 0.00 0.18 0.55 0.14 0.02 0.00 0.00 175.30 176.19 1tpn s VAL 31 N 0.14 4.78 -0.30 3.52 -7.23 -1.25 -3.91 120.40 116.15 1tpn s VAL 31 Ca 0.47 1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 61.60 1tpn s VAL 31 Cb -0.23 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 32.83 1tpn s VAL 31 CO 0.29 0.55 0.63 -1.61 -0.31 0.00 0.00 175.10 174.65 1tpn s GLU 32 N -1.06 3.90 -0.22 4.82 8.01 -0.74 -3.59 118.70 129.82 1tpn s GLU 32 Ca 0.28 0.31 -0.09 0.00 0.01 0.00 0.00 54.97 55.48 1tpn s GLU 32 Cb -0.19 -3.73 -0.04 0.00 -4.31 0.00 0.00 34.13 25.86 1tpn s GLU 32 CO 0.18 -0.57 0.10 -0.47 0.01 0.00 0.00 175.26 174.51 1tpn s TYR 33 N 2.61 3.25 -0.10 1.61 6.14 -0.57 0.14 117.35 130.44 1tpn s TYR 33 Ca 0.25 0.06 -0.14 0.00 0.64 0.00 0.00 57.07 57.89 1tpn s TYR 33 Cb -0.15 -2.18 0.03 0.00 0.42 0.00 0.00 41.96 40.08 1tpn s TYR 33 CO 0.12 0.04 0.36 0.00 0.64 0.00 0.00 175.55 176.70 1tpn s TRP 35 N -0.30 0.42 -0.40 0.00 -2.14 0.11 -0.24 118.94 116.39 1tpn s TRP 35 Ca -0.04 -0.62 -0.29 0.00 2.66 0.00 0.00 56.10 57.80 1tpn s TRP 35 Cb -0.03 -0.28 0.02 0.00 -3.10 0.00 0.00 33.47 30.08 1tpn s TRP 35 CO 0.02 -0.19 1.09 0.00 -2.66 0.00 0.00 176.95 175.21 1tpn h ASN 37 N 8.69 0.00 0.00 0.00 -0.73 -1.91 0.32 115.58 121.95 1tpn h ASN 37 Ca -0.22 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1tpn h ASN 37 Cb 1.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1tpn h ASN 37 CO 1.08 0.03 0.00 -1.54 -0.37 0.00 0.00 177.43 176.63 1tpn n SER 38 N -2.55 0.00 0.00 1.15 3.41 -1.26 -4.82 113.62 109.54 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1tpn n SER 38 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.01 -0.61 0.36 5.00 0.00 -1.26 -4.40 105.19 104.27 1tpn n GLY 39 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.46 -2.68 1.61 1.85 -1.26 -4.88 116.66 111.76 1tpn n ARG 40 Ca 0.00 -1.01 -0.04 0.00 -1.00 0.00 0.00 57.85 55.80 1tpn n ARG 40 Cb 0.00 -1.17 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 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 0.45 -3.45 -2.66 2.89 0.00 -1.26 -4.91 120.51 111.57 1tpn n ALA 41 Ca 0.05 1.68 -0.40 0.00 0.00 0.00 0.00 53.44 54.78 1tpn n ALA 41 Cb 0.23 -3.34 -0.06 0.00 0.00 0.00 0.00 19.45 16.28 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 -0.93 4.21 0.09 0.00 -0.44 0.24 -4.88 119.66 117.95 1tpn s GLN 42 Ca -0.18 0.60 0.06 0.00 -2.50 0.00 0.00 55.36 53.34 1tpn s GLN 42 Cb 0.01 -3.58 -0.03 0.00 -1.64 0.00 0.00 33.01 27.77 1tpn s GLN 42 CO 0.73 -0.24 -0.16 0.00 0.50 0.00 0.00 175.29 176.11 1tpn s HIS 44 N -1.42 0.66 -0.11 0.00 -3.43 0.43 -4.99 115.29 106.44 1tpn s HIS 44 Ca 0.03 -0.98 -0.00 0.00 -0.80 0.00 0.00 55.06 53.31 1tpn s HIS 44 Cb -0.09 -0.19 0.02 0.00 -1.43 0.00 0.00 32.58 30.89 1tpn s HIS 44 CO 0.03 -0.74 -0.08 -1.54 -2.00 0.00 0.00 174.74 170.41 1tpn s SER 45 N -3.04 2.13 -0.28 7.38 1.04 -1.26 -1.51 113.70 118.16 1tpn s SER 45 Ca 0.25 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1tpn s SER 45 Cb 0.04 -0.85 0.01 0.00 0.10 0.00 0.00 66.02 65.32 1tpn s SER 45 CO 0.06 -0.09 0.03 -0.69 0.98 0.00 0.00 173.24 173.53 1tpn s VAL 46 N 1.55 3.64 1.31 5.02 1.01 -1.24 -5.01 120.40 126.67 1tpn s VAL 46 Ca 0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 1tpn s VAL 46 Cb -0.13 -2.86 0.33 0.00 0.00 0.00 0.00 36.38 33.72 1tpn s VAL 46 CO -0.07 0.14 0.92 -2.65 0.00 0.00 0.00 175.10 173.44 1tpn n PRO 47 N 4.81 -3.49 -0.96 2.72 -0.02 -1.26 -3.80 135.00 133.00 1tpn n PRO 47 Ca -0.15 -1.01 -0.20 0.00 -2.02 0.00 0.00 63.50 60.12 1tpn n PRO 47 Cb 0.48 -2.05 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1tpn n VAL 48 N -5.35 2.88 -1.46 -1.45 3.14 -1.26 -4.87 118.33 109.96 1tpn n VAL 48 Ca 0.06 -1.83 -0.52 0.00 -2.96 0.00 0.00 64.34 59.09 1tpn n VAL 48 Cb 0.56 -1.19 -0.05 0.00 -1.06 0.00 0.00 33.84 32.11 1tpn n VAL 48 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1tpn n LYS 49 N -0.06 0.13 0.00 1.45 2.85 -1.26 -5.17 118.16 116.10 1tpn n LYS 49 Ca 0.38 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1tpn n LYS 49 Cb 0.71 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80