#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c n PRO 2 N 0.00 -0.81 0.00 -1.58 -0.02 -1.26 -5.09 135.00 126.24 1y1c n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y1c n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1y1c n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y1c n ASP 3 N -1.83 0.00 -3.79 2.55 -0.08 -1.26 -5.13 116.55 107.02 1y1c n ASP 3 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1y1c n ASP 3 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1y1c s ALA 4 N -2.00 2.14 0.79 -1.67 0.00 -1.26 -5.12 121.76 114.63 1y1c s ALA 4 Ca 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 51.96 49.60 1y1c s ALA 4 Cb 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 23.12 21.41 1y1c s ALA 4 CO 0.00 -1.84 0.26 -2.30 0.00 0.00 0.00 175.76 171.88 1y1c n PRO 5 N 4.14 -0.09 -1.88 0.00 -0.02 -1.26 -1.98 135.00 133.90 1y1c n PRO 5 Ca 0.03 -0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 60.74 1y1c n PRO 5 Cb 0.38 -1.24 0.04 0.00 -0.02 0.00 0.00 33.50 32.66 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c n ILE 7 N -0.66 -0.15 0.08 0.00 2.08 -1.26 -4.78 119.36 114.67 1y1c n ILE 7 Ca 0.52 -2.74 -0.21 0.00 0.56 0.00 0.00 62.75 60.88 1y1c n ILE 7 Cb 0.55 0.50 -0.15 0.00 -0.75 0.00 0.00 39.64 39.80 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1c n THR 9 N -4.02 0.00 -0.82 0.00 5.66 -1.26 -5.01 114.28 108.83 1y1c n THR 9 Ca -0.15 -0.08 0.08 0.00 -3.05 0.00 0.00 64.05 60.85 1y1c n THR 9 Cb 0.90 0.15 0.21 0.00 -1.55 0.00 0.00 70.33 70.04 1y1c n THR 9 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y1c n MET 10 N -0.18 2.69 -0.61 1.09 2.81 -1.26 -4.82 117.12 116.84 1y1c n MET 10 Ca 0.00 -2.61 -0.19 0.00 -1.81 0.00 0.00 57.70 53.09 1y1c n MET 10 Cb 0.13 -1.66 -0.02 0.00 -0.71 0.00 0.00 33.22 30.96 1y1c n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1c n GLN 11 N -0.46 1.67 0.00 0.03 -0.06 -1.26 -4.80 117.38 112.50 1y1c n GLN 11 Ca 0.18 -1.29 0.00 0.00 -2.00 0.00 0.00 57.00 53.89 1y1c n GLN 11 Cb 0.75 -2.38 0.00 0.00 -4.06 0.00 0.00 30.24 24.54 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1y1c n TYR 12 N 4.49 0.00 -2.92 3.69 9.36 -1.26 -4.73 117.16 125.79 1y1c n TYR 12 Ca 0.36 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.30 1y1c n TYR 12 Cb 0.12 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.79 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1c n ASP 13 N 0.00 4.82 -4.55 2.98 2.03 0.19 -5.02 116.55 117.00 1y1c n ASP 13 Ca 0.00 -3.68 -0.25 0.00 0.52 0.00 0.00 54.79 51.37 1y1c n ASP 13 Cb 0.00 -0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 39.70 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1c n PRO 14 N -0.20 0.69 -3.53 -0.67 -0.04 -0.70 -2.90 135.00 127.64 1y1c n PRO 14 Ca 0.33 -0.38 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1y1c n PRO 14 Cb 0.38 -3.26 -0.08 0.00 -0.04 0.00 0.00 33.50 30.50 1y1c n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1c s VAL 15 N 12.35 5.29 -0.33 0.52 -7.23 0.24 -0.49 120.40 130.74 1y1c s VAL 15 Ca 1.01 0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 61.37 1y1c s VAL 15 Cb -0.28 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.06 1y1c s VAL 15 CO 0.22 0.33 1.12 0.00 -0.31 0.00 0.00 175.10 176.46 1y1c s GLY 17 N 1.93 1.94 -0.85 0.00 0.00 -0.08 -0.53 107.32 109.74 1y1c s GLY 17 Ca 0.48 -0.75 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 1y1c s GLY 17 CO 0.18 -0.49 2.38 -1.26 0.00 0.00 0.00 173.10 173.92 1y1c n SER 18 N 2.16 0.52 0.00 1.64 2.88 0.15 -1.90 113.62 119.07 1y1c n SER 18 Ca -0.19 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1y1c n SER 18 Cb 0.54 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 19 N 12.38 0.00 0.00 -3.46 -0.08 -1.26 -2.93 116.55 121.20 1y1c n ASP 19 Ca 0.56 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1y1c n ASP 19 Cb 0.28 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y1c n GLY 20 N 0.00 1.71 2.88 0.27 0.00 -0.80 -5.13 105.19 104.12 1y1c n GLY 20 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1y1c n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1c s ILE 21 N -2.00 0.29 -0.61 -0.61 -1.09 -1.21 -5.02 121.20 110.95 1y1c s ILE 21 Ca 0.00 -0.04 -0.18 0.00 -2.23 0.00 0.00 60.65 58.19 1y1c s ILE 21 Cb 0.00 -0.32 0.11 0.00 -1.58 0.00 0.00 42.46 40.67 1y1c s ILE 21 CO 0.00 0.14 0.71 -0.89 -1.23 0.00 0.00 174.94 173.67 1y1c s THR 22 N 0.59 4.89 -0.14 2.92 2.01 -1.26 -0.91 115.64 123.74 1y1c s THR 22 Ca -0.06 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1y1c s THR 22 Cb -0.09 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.92 1y1c s THR 22 CO -0.01 -1.12 1.02 -0.31 -0.69 0.00 0.00 174.62 173.51 1y1c s TYR 23 N 2.47 3.47 0.57 4.92 2.02 0.71 -4.73 117.35 126.77 1y1c s TYR 23 Ca 0.12 1.56 0.34 0.00 -0.37 0.00 0.00 57.07 58.72 1y1c s TYR 23 Cb -0.23 -3.21 1.16 0.00 -0.40 0.00 0.00 41.96 39.27 1y1c s TYR 23 CO 0.04 -0.29 1.34 0.41 -1.57 0.00 0.00 175.55 175.48 1y1c n GLY 24 N 3.15 -0.81 3.61 0.71 0.00 -1.26 0.79 105.19 111.38 1y1c n GLY 24 Ca 0.10 0.46 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 1y1c n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c s ASN 25 N -3.58 -0.21 0.60 1.61 2.20 -1.14 0.52 114.94 114.94 1y1c s ASN 25 Ca -0.03 0.22 0.28 0.00 -0.94 0.00 0.00 52.86 52.39 1y1c s ASN 25 Cb 0.18 0.18 1.25 0.00 -2.00 0.00 0.00 41.25 40.86 1y1c s ASN 25 CO 0.60 -0.21 1.66 0.00 -2.94 0.00 0.00 177.10 176.21 1y1c h ALA 26 N 2.31 2.43 0.07 3.54 0.00 -1.78 0.62 119.26 126.45 1y1c h ALA 26 Ca -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y1c h ALA 26 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.27 -1.10 -0.04 0.00 0.00 0.00 0.00 179.25 178.38 1y1c h MET 28 N -0.81 0.47 -0.06 0.00 2.86 -0.12 1.18 114.93 118.45 1y1c h MET 28 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1y1c h MET 28 Cb 0.61 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1y1c h MET 28 CO 0.02 0.31 -0.26 1.25 1.06 0.00 0.00 176.91 179.29 1y1c h LEU 29 N 0.49 -0.80 -1.66 1.22 6.46 -0.54 0.63 115.31 121.12 1y1c h LEU 29 Ca 0.63 0.12 0.29 0.00 -0.12 0.00 0.00 57.88 58.79 1y1c h LEU 29 Cb 1.22 0.34 -0.07 0.00 -0.73 0.00 0.00 40.66 41.42 1y1c h LEU 29 CO -0.51 -0.32 0.72 -0.07 -0.62 0.00 0.00 178.44 177.64 1y1c h LEU 30 N -0.37 0.24 -0.34 2.25 3.38 0.32 2.64 115.31 123.44 1y1c h LEU 30 Ca 0.08 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1y1c h LEU 30 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1y1c h LEU 30 CO -0.27 0.05 -0.82 0.00 0.09 0.00 0.00 178.44 177.48 1y1c h ALA 32 N 1.18 -0.57 0.00 0.00 0.00 0.93 0.68 119.26 121.47 1y1c h ALA 32 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y1c h ALA 32 Cb 1.47 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1y1c h ALA 32 CO 0.11 -0.68 0.00 1.03 0.00 0.00 0.00 179.25 179.70 1y1c h SER 33 N -0.86 0.00 0.08 0.00 0.87 -0.18 0.59 113.55 114.05 1y1c h SER 33 Ca -0.06 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.19 1y1c h SER 33 Cb 0.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1y1c h SER 33 CO 0.10 0.00 -1.69 0.00 -0.53 0.00 0.00 176.83 174.70 1y1c n ALA 34 N -2.01 0.83 1.03 6.23 0.00 -0.73 -4.42 120.51 121.44 1y1c n ALA 34 Ca -0.02 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 52.99 1y1c n ALA 34 Cb 0.12 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1y1c n ALA 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1y1c n ARG 35 N -3.88 0.66 0.00 0.00 0.00 0.23 -4.82 116.66 108.85 1y1c n ARG 35 Ca -0.32 -0.52 0.00 0.00 -0.00 0.00 0.00 57.85 57.01 1y1c n ARG 35 Cb 0.90 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.87 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1y1c n SER 36 N -0.72 0.00 0.00 6.15 2.88 0.20 -5.03 113.62 117.10 1y1c n SER 36 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1y1c n SER 36 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1y1c n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 37 N 0.00 0.00 -4.63 -3.46 -0.08 -1.26 -5.06 116.55 102.06 1y1c n ASP 37 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1y1c n ASP 37 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1y1c s THR 38 N 0.00 4.06 -0.98 5.18 -1.32 -1.26 -5.05 115.64 116.27 1y1c s THR 38 Ca 0.00 -0.34 -0.24 0.00 -1.21 0.00 0.00 61.69 59.91 1y1c s THR 38 Cb 0.00 -2.70 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1y1c s THR 38 CO 0.00 0.59 1.74 -2.16 -2.21 0.00 0.00 174.62 172.59 1y1c s PRO 39 N -0.75 3.01 0.82 7.08 0.04 -1.26 -4.64 135.00 139.30 1y1c s PRO 39 Ca 0.11 -0.73 -0.14 0.00 0.04 0.00 0.00 61.00 60.29 1y1c s PRO 39 Cb -0.11 -5.21 0.04 0.00 0.04 0.00 0.00 34.50 29.26 1y1c s PRO 39 CO 0.02 -2.91 0.86 0.44 0.04 0.00 0.00 177.00 175.45 1y1c n ILE 40 N 7.43 1.51 -3.65 0.56 -0.00 -1.26 -5.00 119.36 118.94 1y1c n ILE 40 Ca 0.38 -0.25 -0.29 0.00 -0.00 0.00 0.00 62.75 62.59 1y1c n ILE 40 Cb 0.48 -0.96 -0.14 0.00 -0.00 0.00 0.00 39.64 39.02 1y1c n ILE 40 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1y1c s GLU 41 N -3.67 0.65 0.32 6.28 2.02 -1.15 -4.83 118.70 118.31 1y1c s GLU 41 Ca 0.68 -1.11 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 1y1c s GLU 41 Cb -0.29 -1.76 -0.10 0.00 0.10 0.00 0.00 34.13 32.07 1y1c s GLU 41 CO 0.56 -1.05 -0.03 1.28 0.02 0.00 0.00 175.26 176.04 1y1c n LEU 42 N 4.66 -2.31 0.00 1.80 7.99 -1.26 0.32 117.00 128.19 1y1c n LEU 42 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.49 1y1c n LEU 42 Cb 0.40 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 1y1c n LEU 42 CO 0.12 -3.13 -0.03 0.55 -1.51 0.00 0.00 177.39 173.39 1y1c n VAL 43 N -0.91 0.00 -3.66 4.08 3.14 0.31 -4.48 118.33 116.81 1y1c n VAL 43 Ca 0.06 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.33 1y1c n VAL 43 Cb 0.30 -0.03 -0.11 0.00 -1.06 0.00 0.00 33.84 32.94 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1y1c s HIS 44 N -1.06 -0.60 -0.82 1.45 0.00 -1.02 -5.03 115.29 108.21 1y1c s HIS 44 Ca 0.00 1.24 -0.12 0.00 -3.00 0.00 0.00 55.06 53.18 1y1c s HIS 44 Cb 0.00 0.13 -0.09 0.00 -4.00 0.00 0.00 32.58 28.62 1y1c s HIS 44 CO 0.00 -0.41 1.99 1.63 -1.00 0.00 0.00 174.74 176.95 1y1c n LYS 45 N 5.33 1.76 0.00 -0.38 5.02 -1.26 0.83 118.16 129.46 1y1c n LYS 45 Ca -0.08 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 1y1c n LYS 45 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1c n GLY 46 N 4.08 1.02 2.47 0.72 0.00 0.35 -4.71 105.19 109.12 1y1c n GLY 46 Ca 0.45 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1y1c n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c n ARG 47 N 0.00 4.20 0.00 1.61 1.74 -1.24 -2.00 116.66 120.97 1y1c n ARG 47 Ca 0.00 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 1y1c n ARG 47 Cb 0.00 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11