#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 0.03 -3.38 -1.58 -0.02 -1.26 -4.91 135.00 123.88 1y1c n PRO 2 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.03 1y1c n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y1c s ASP 3 N -1.92 6.16 0.24 2.55 1.11 -1.26 -4.65 116.67 118.90 1y1c s ASP 3 Ca 0.00 -2.02 0.00 0.00 0.18 0.00 0.00 52.55 50.71 1y1c s ASP 3 Cb 0.00 -2.15 0.00 0.00 1.07 0.00 0.00 42.92 41.84 1y1c s ASP 3 CO 0.00 -0.75 0.00 0.00 1.18 0.00 0.00 175.17 175.60 1y1c n ALA 4 N 4.88 0.00 -0.46 5.23 0.00 -1.26 -4.87 120.51 124.02 1y1c n ALA 4 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1y1c n ALA 4 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1y1c n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y1c n PRO 5 N -2.98 0.00 -1.76 0.00 -0.02 -1.26 -0.06 135.00 128.92 1y1c n PRO 5 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1y1c n PRO 5 Cb 0.00 -0.34 -0.02 0.00 -0.02 0.00 0.00 33.50 33.12 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c s ILE 7 N -2.67 -0.22 -0.06 0.00 -1.09 -1.26 -4.81 121.20 111.09 1y1c s ILE 7 Ca 0.55 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1y1c s ILE 7 Cb 0.34 -0.80 -0.05 0.00 -1.58 0.00 0.00 42.46 40.37 1y1c s ILE 7 CO -0.22 -0.68 -0.05 0.00 -1.23 0.00 0.00 174.94 172.76 1y1c n THR 9 N -2.62 0.00 -1.13 0.00 5.66 -1.26 -5.02 114.28 109.90 1y1c n THR 9 Ca -0.11 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.92 1y1c n THR 9 Cb 0.63 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.46 1y1c n THR 9 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1y1c n MET 10 N 0.00 1.03 -0.92 1.09 1.56 -1.26 -4.89 117.12 113.72 1y1c n MET 10 Ca 0.00 -1.57 -0.28 0.00 -0.27 0.00 0.00 57.70 55.58 1y1c n MET 10 Cb 0.00 -0.95 -0.02 0.00 2.15 0.00 0.00 33.22 34.40 1y1c n MET 10 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1y1c n GLN 11 N -0.60 2.60 -0.02 2.12 7.27 -1.26 -4.83 117.38 122.65 1y1c n GLN 11 Ca 0.06 -1.70 -0.00 0.00 0.07 0.00 0.00 57.00 55.43 1y1c n GLN 11 Cb 0.56 -2.57 -0.00 0.00 2.41 0.00 0.00 30.24 30.64 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1y1c n TYR 12 N 4.04 0.00 -2.82 3.69 9.36 -1.26 -4.73 117.16 125.43 1y1c n TYR 12 Ca 0.55 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.47 1y1c n TYR 12 Cb 0.16 -0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.84 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 0.08 5.31 -4.54 2.98 2.03 0.22 -5.01 116.55 117.62 1y1c n ASP 13 Ca 0.01 -3.69 -0.30 0.00 0.52 0.00 0.00 54.79 51.32 1y1c n ASP 13 Cb 0.01 -0.72 -0.08 0.00 -0.72 0.00 0.00 41.12 39.60 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 -0.22 0.62 -3.61 -0.67 -0.04 -0.45 -3.21 135.00 127.43 1y1c n PRO 14 Ca 0.36 -0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 1y1c n PRO 14 Cb 0.37 -2.91 -0.08 0.00 -0.04 0.00 0.00 33.50 30.83 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 11.12 5.34 -0.30 0.52 -7.23 0.18 -0.15 120.40 129.88 1y1c s VAL 15 Ca 1.07 0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 61.30 1y1c s VAL 15 Cb -0.43 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 32.96 1y1c s VAL 15 CO 0.29 0.37 1.14 0.00 -0.31 0.00 0.00 175.10 176.59 1y1c s GLY 17 N 1.94 1.97 -0.87 0.00 0.00 -0.22 -0.72 107.32 109.42 1y1c s GLY 17 Ca 0.49 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 1y1c s GLY 17 CO 0.17 -0.38 2.46 -1.26 0.00 0.00 0.00 173.10 174.09 1y1c n SER 18 N 2.36 0.43 0.00 1.64 2.88 0.12 -1.83 113.62 119.22 1y1c n SER 18 Ca -0.19 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1y1c n SER 18 Cb 0.54 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1y1c n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y1c n ASP 19 N 11.37 0.00 0.00 -3.46 8.00 -1.26 -2.95 116.55 128.25 1y1c n ASP 19 Ca 0.58 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1y1c n ASP 19 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y1c n GLY 20 N 0.00 1.70 3.00 0.44 0.00 -0.76 -5.11 105.19 104.46 1y1c n GLY 20 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.97 -0.61 -0.61 -1.09 -1.20 -5.01 121.20 111.65 1y1c s ILE 21 Ca 0.00 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 57.84 1y1c s ILE 21 Cb 0.00 -0.90 0.10 0.00 -1.58 0.00 0.00 42.46 40.08 1y1c s ILE 21 CO 0.00 0.32 0.74 -0.89 -1.23 0.00 0.00 174.94 173.87 1y1c s THR 22 N 0.65 4.79 -0.20 2.92 2.01 -1.26 -1.06 115.64 123.49 1y1c s THR 22 Ca -0.13 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.62 1y1c s THR 22 Cb -0.15 -4.51 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 1y1c s THR 22 CO 0.03 -1.16 0.90 -0.31 -0.69 0.00 0.00 174.62 173.38 1y1c s TYR 23 N 2.75 3.38 0.46 4.92 2.02 0.11 -4.77 117.35 126.22 1y1c s TYR 23 Ca 0.13 1.31 0.39 0.00 -0.37 0.00 0.00 57.07 58.52 1y1c s TYR 23 Cb -0.23 -3.11 1.34 0.00 -0.40 0.00 0.00 41.96 39.56 1y1c s TYR 23 CO 0.06 -0.35 1.25 0.41 -1.57 0.00 0.00 175.55 175.35 1y1c n GLY 24 N 3.48 -0.79 3.59 0.71 0.00 -1.26 0.51 105.19 111.42 1y1c n GLY 24 Ca 0.07 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.82 -0.20 0.62 1.61 2.20 -1.20 0.69 114.94 114.85 1y1c s ASN 25 Ca -0.04 0.12 0.25 0.00 -0.94 0.00 0.00 52.86 52.25 1y1c s ASN 25 Cb 0.21 0.19 1.17 0.00 -2.00 0.00 0.00 41.25 40.81 1y1c s ASN 25 CO 0.69 -0.26 1.63 0.00 -2.94 0.00 0.00 177.10 176.22 1y1c h ALA 26 N 2.17 2.16 0.02 3.54 0.00 -1.78 0.56 119.26 125.92 1y1c h ALA 26 Ca -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y1c h ALA 26 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y1c h ALA 26 CO 0.26 -0.93 -0.01 0.00 0.00 0.00 0.00 179.25 178.58 1y1c h MET 28 N -0.94 0.33 -0.11 0.00 2.86 -0.31 1.33 114.93 118.08 1y1c h MET 28 Ca -0.00 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1y1c h MET 28 Cb 0.76 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1y1c h MET 28 CO 0.00 0.22 -0.28 1.25 1.06 0.00 0.00 176.91 179.16 1y1c h LEU 29 N 0.34 -0.86 -1.82 1.22 6.46 -0.65 0.71 115.31 120.71 1y1c h LEU 29 Ca 0.62 0.13 0.33 0.00 -0.12 0.00 0.00 57.88 58.83 1y1c h LEU 29 Cb 1.28 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 41.52 1y1c h LEU 29 CO -0.58 -0.33 0.80 -0.07 -0.62 0.00 0.00 178.44 177.64 1y1c h LEU 30 N -0.36 0.12 -0.26 2.25 3.38 0.26 2.88 115.31 123.58 1y1c h LEU 30 Ca 0.09 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1y1c h LEU 30 Cb 0.50 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1y1c h LEU 30 CO -0.31 0.02 -0.89 0.00 0.09 0.00 0.00 178.44 177.34 1y1c h ALA 32 N 1.02 -0.95 0.00 0.00 0.00 0.84 0.44 119.26 120.61 1y1c h ALA 32 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y1c h ALA 32 Cb 1.54 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1y1c h ALA 32 CO 0.13 -0.93 0.00 1.03 0.00 0.00 0.00 179.25 179.48 1y1c h SER 33 N -1.15 0.00 0.68 0.00 0.87 -0.58 0.57 113.55 113.94 1y1c h SER 33 Ca -0.10 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.28 1y1c h SER 33 Cb 0.75 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1y1c h SER 33 CO 0.16 0.00 -1.44 0.00 -0.53 0.00 0.00 176.83 175.02 1y1c n ALA 34 N -1.83 1.88 -1.48 6.23 0.00 -0.51 -4.42 120.51 120.37 1y1c n ALA 34 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 52.91 1y1c n ALA 34 Cb 0.12 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1y1c n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1y1c n ARG 35 N -2.91 0.64 0.00 0.00 1.85 0.15 -5.03 116.66 111.36 1y1c n ARG 35 Ca -0.10 -1.61 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 1y1c n ARG 35 Cb 0.86 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1y1c n SER 36 N -0.59 0.00 0.00 2.89 2.88 0.19 -4.99 113.62 114.00 1y1c n SER 36 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1y1c n SER 36 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1y1c n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1c n ASP 37 N 0.00 0.00 -3.27 -3.46 5.68 -1.26 -5.06 116.55 109.19 1y1c n ASP 37 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.32 1y1c n ASP 37 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1y1c s THR 38 N 0.00 -0.91 -0.80 2.12 2.01 -1.26 -5.09 115.64 111.70 1y1c s THR 38 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1y1c s THR 38 Cb 0.00 -1.00 -0.19 0.00 0.01 0.00 0.00 72.50 71.32 1y1c s THR 38 CO 0.00 0.00 2.42 -2.65 -0.69 0.00 0.00 174.62 173.70 1y1c n PRO 39 N 5.42 0.44 -1.57 4.92 -0.02 -1.26 -4.83 135.00 138.10 1y1c n PRO 39 Ca -0.04 -0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 60.84 1y1c n PRO 39 Cb 0.51 -2.54 0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1y1c n PRO 39 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1y1c s ILE 40 N 9.49 2.44 -0.38 4.25 -0.00 -1.26 -5.01 121.20 130.73 1y1c s ILE 40 Ca 1.12 0.23 0.01 0.00 -0.00 0.00 0.00 60.65 62.01 1y1c s ILE 40 Cb -0.55 -2.85 0.13 0.00 -0.00 0.00 0.00 42.46 39.19 1y1c s ILE 40 CO 0.33 -0.11 0.19 -1.61 -0.00 0.00 0.00 174.94 173.75 1y1c s GLU 41 N -3.81 0.95 0.30 0.37 2.02 -1.15 -4.83 118.70 112.54 1y1c s GLU 41 Ca 0.74 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 54.03 1y1c s GLU 41 Cb -0.29 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 31.86 1y1c s GLU 41 CO 0.43 -1.12 -0.02 1.28 0.02 0.00 0.00 175.26 175.84 1y1c n LEU 42 N 4.03 -2.14 0.00 1.80 7.99 -1.26 0.11 117.00 127.54 1y1c n LEU 42 Ca 0.06 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 1y1c n LEU 42 Cb 0.37 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 1y1c n LEU 42 CO 0.18 -2.91 0.00 0.52 -1.51 0.00 0.00 177.39 173.67 1y1c n VAL 43 N -0.84 0.00 -3.60 4.08 0.31 0.10 -4.48 118.33 113.90 1y1c n VAL 43 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1y1c n VAL 43 Cb 0.28 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.11 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1y1c s HIS 44 N -1.00 -0.68 -0.71 3.52 0.00 -1.02 -5.02 115.29 110.38 1y1c s HIS 44 Ca 0.00 1.20 -0.15 0.00 -3.00 0.00 0.00 55.06 53.11 1y1c s HIS 44 Cb 0.00 0.13 -0.12 0.00 -4.00 0.00 0.00 32.58 28.59 1y1c s HIS 44 CO 0.00 -0.50 1.90 1.63 -1.00 0.00 0.00 174.74 176.77 1y1c n LYS 45 N 5.37 1.49 -0.62 -0.38 4.01 -1.26 0.11 118.16 126.88 1y1c n LYS 45 Ca -0.07 -1.54 0.00 0.00 -0.51 0.00 0.00 58.31 56.20 1y1c n LYS 45 Cb 0.50 -2.64 0.00 0.00 -0.51 0.00 0.00 35.03 32.37 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y1c n GLY 46 N 4.24 0.75 2.39 0.72 0.00 0.79 -4.69 105.19 109.39 1y1c n GLY 46 Ca 0.44 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 4.00 0.00 1.61 1.74 -1.26 -2.34 116.66 120.42 1y1c n ARG 47 Ca 0.00 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 1y1c n ARG 47 Cb 0.00 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11