#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c s PRO 2 N 0.00 0.94 -0.10 1.97 0.04 -1.26 -5.09 135.00 131.49 1y1c s PRO 2 Ca 0.00 -0.63 -0.00 0.00 0.04 0.00 0.00 61.00 60.41 1y1c s PRO 2 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1y1c s PRO 2 CO 0.00 -2.14 -0.09 0.16 0.04 0.00 0.00 177.00 174.98 1y1c s ASP 3 N -4.85 4.43 0.29 6.66 1.47 -1.26 -4.94 116.67 118.47 1y1c s ASP 3 Ca 0.72 -0.15 0.00 0.00 1.18 0.00 0.00 52.55 54.29 1y1c s ASP 3 Cb -0.04 -1.40 0.00 0.00 -0.34 0.00 0.00 42.92 41.14 1y1c s ASP 3 CO 0.50 0.26 0.00 0.00 0.68 0.00 0.00 175.17 176.61 1y1c n ALA 4 N 2.92 0.00 -0.98 2.11 0.00 -1.08 -3.93 120.51 119.55 1y1c n ALA 4 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 1y1c n ALA 4 Cb 0.53 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.08 -0.06 -2.74 0.00 -0.02 -1.26 -1.63 135.00 126.21 1y1c n PRO 5 Ca 0.00 -0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.41 1y1c n PRO 5 Cb 0.00 -1.28 0.04 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.96 1.33 0.12 0.00 2.08 -1.26 -4.40 119.36 119.18 1y1c n ILE 7 Ca 0.10 -4.25 -0.20 0.00 0.56 0.00 0.00 62.75 58.96 1y1c n ILE 7 Cb 0.63 -0.31 -0.14 0.00 -0.75 0.00 0.00 39.64 39.07 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1c s THR 9 N -2.75 0.00 -0.37 0.00 -1.32 -1.26 -5.00 115.64 104.93 1y1c s THR 9 Ca -0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.47 1y1c s THR 9 Cb 0.06 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.63 1y1c s THR 9 CO 0.92 0.00 1.64 0.23 -2.21 0.00 0.00 174.62 175.20 1y1c n MET 10 N 1.37 2.81 0.00 7.08 2.81 -1.26 -4.71 117.12 125.23 1y1c n MET 10 Ca -0.09 -2.44 0.00 0.00 -1.81 0.00 0.00 57.70 53.35 1y1c n MET 10 Cb 0.57 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1y1c n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1c n GLN 11 N -0.31 0.00 0.00 0.03 6.02 -1.26 -5.08 117.38 116.78 1y1c n GLN 11 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1y1c n GLN 11 Cb 1.28 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.54 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y1c n TYR 12 N 0.00 0.00 -3.03 1.08 9.36 -1.26 -5.07 117.16 118.24 1y1c n TYR 12 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1y1c n TYR 12 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 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 5.72 -4.56 2.98 -0.08 0.22 -5.00 116.55 115.84 1y1c n ASP 13 Ca 0.00 -3.51 -0.23 0.00 -1.51 0.00 0.00 54.79 49.54 1y1c n ASP 13 Cb 0.00 -1.02 -0.05 0.00 2.34 0.00 0.00 41.12 42.39 1y1c n ASP 13 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1y1c s PRO 14 N -3.11 1.81 -0.19 -0.67 0.04 -0.50 -2.81 135.00 129.57 1y1c s PRO 14 Ca 0.37 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1y1c s PRO 14 Cb 0.13 -4.70 -0.05 0.00 0.04 0.00 0.00 34.50 29.92 1y1c s PRO 14 CO 0.00 -3.96 0.17 0.14 0.04 0.00 0.00 177.00 173.39 1y1c s VAL 15 N 13.69 5.38 -0.19 -0.36 -7.23 0.27 -1.76 120.40 130.20 1y1c s VAL 15 Ca 0.94 0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 61.10 1y1c s VAL 15 Cb -0.14 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1y1c s VAL 15 CO 0.15 0.42 1.10 0.00 -0.31 0.00 0.00 175.10 176.47 1y1c s GLY 17 N 1.40 1.74 -0.89 0.00 0.00 0.47 0.01 107.32 110.06 1y1c s GLY 17 Ca 0.48 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.89 1y1c s GLY 17 CO 0.10 -0.91 2.54 -1.26 0.00 0.00 0.00 173.10 173.56 1y1c n SER 18 N 1.51 0.46 0.00 1.64 2.88 0.25 -1.81 113.62 118.54 1y1c n SER 18 Ca -0.15 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1y1c n SER 18 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 11.14 0.00 0.00 -3.46 2.03 -1.26 -3.00 116.55 122.00 1y1c n ASP 19 Ca 0.60 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1y1c n ASP 19 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1c n GLY 20 N 0.00 1.75 3.16 0.27 0.00 -0.75 -5.11 105.19 104.51 1y1c n GLY 20 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.22 -0.55 -0.61 1.09 -1.21 -5.00 121.20 114.14 1y1c s ILE 21 Ca 0.00 -0.94 -0.15 0.00 -1.10 0.00 0.00 60.65 58.47 1y1c s ILE 21 Cb 0.00 -1.07 0.14 0.00 -1.06 0.00 0.00 42.46 40.46 1y1c s ILE 21 CO 0.00 0.12 0.50 -0.89 -0.10 0.00 0.00 174.94 174.57 1y1c s THR 22 N -0.71 5.06 -0.15 2.92 2.01 -1.26 -0.40 115.64 123.10 1y1c s THR 22 Ca 0.04 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.09 1y1c s THR 22 Cb -0.07 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 1y1c s THR 22 CO 0.01 -0.87 1.01 -0.31 -0.69 0.00 0.00 174.62 173.77 1y1c s TYR 23 N 1.41 3.45 0.49 4.92 2.02 0.14 -4.69 117.35 125.09 1y1c s TYR 23 Ca 0.05 1.54 0.42 0.00 -0.37 0.00 0.00 57.07 58.71 1y1c s TYR 23 Cb -0.28 -3.21 1.45 0.00 -0.40 0.00 0.00 41.96 39.52 1y1c s TYR 23 CO 0.01 -0.32 1.35 0.41 -1.57 0.00 0.00 175.55 175.43 1y1c n GLY 24 N 3.19 -0.85 3.57 0.71 0.00 -1.26 0.94 105.19 111.49 1y1c n GLY 24 Ca 0.10 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 1y1c n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y1c s ASN 25 N -3.83 -0.50 0.59 1.61 0.01 -1.12 0.72 114.94 112.42 1y1c s ASN 25 Ca -0.04 0.65 0.29 0.00 -0.71 0.00 0.00 52.86 53.04 1y1c s ASN 25 Cb 0.22 0.54 1.35 0.00 0.41 0.00 0.00 41.25 43.77 1y1c s ASN 25 CO 0.75 -0.40 1.74 0.00 -1.51 0.00 0.00 177.10 177.67 1y1c h ALA 26 N 3.10 2.42 0.01 0.60 0.00 -1.77 0.66 119.26 124.28 1y1c h ALA 26 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y1c h ALA 26 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y1c h ALA 26 CO 0.29 -1.03 -0.00 0.00 0.00 0.00 0.00 179.25 178.51 1y1c h MET 28 N -0.95 0.31 0.18 0.00 2.86 -0.12 1.87 114.93 119.07 1y1c h MET 28 Ca -0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1y1c h MET 28 Cb 0.81 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1y1c h MET 28 CO 0.00 0.20 -0.37 1.25 1.06 0.00 0.00 176.91 179.06 1y1c h LEU 29 N 0.32 -1.06 -1.59 1.22 6.46 -0.15 0.64 115.31 121.15 1y1c h LEU 29 Ca 0.72 0.11 0.33 0.00 -0.12 0.00 0.00 57.88 58.93 1y1c h LEU 29 Cb 1.76 0.39 -0.09 0.00 -0.73 0.00 0.00 40.66 41.99 1y1c h LEU 29 CO -0.53 -0.47 0.79 -0.07 -0.62 0.00 0.00 178.44 177.54 1y1c h LEU 30 N -0.64 0.25 -0.32 2.25 3.38 0.35 3.06 115.31 123.64 1y1c h LEU 30 Ca 0.01 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1y1c h LEU 30 Cb 0.64 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1y1c h LEU 30 CO -0.18 0.01 -0.84 0.00 0.09 0.00 0.00 178.44 177.52 1y1c h ALA 32 N 0.95 -0.57 -0.84 0.00 0.00 1.06 -1.12 119.26 118.74 1y1c h ALA 32 Ca -0.04 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1y1c h ALA 32 Cb 1.45 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1y1c h ALA 32 CO 0.13 -0.71 0.57 1.03 0.00 0.00 0.00 179.25 180.28 1y1c h SER 33 N -0.81 0.22 1.34 0.00 0.87 0.04 0.86 113.55 116.07 1y1c h SER 33 Ca -0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1y1c h SER 33 Cb 0.54 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1y1c h SER 33 CO 0.10 0.09 -0.21 0.00 -0.53 0.00 0.00 176.83 176.27 1y1c h ALA 34 N 1.61 0.86 0.00 6.23 0.00 -1.27 -3.34 119.26 123.35 1y1c h ALA 34 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1y1c h ALA 34 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1y1c h ALA 34 CO -0.09 0.00 -1.34 2.89 0.00 0.00 0.00 179.25 180.71 1y1c n ARG 35 N -2.32 0.87 0.00 0.00 1.85 0.15 -4.91 116.66 112.30 1y1c n ARG 35 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1y1c n ARG 35 Cb 0.45 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 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 -1.78 0.00 0.00 2.89 2.88 0.25 -5.06 113.62 112.80 1y1c n SER 36 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1y1c n SER 36 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 -4.52 -3.46 2.03 -1.26 -5.08 116.55 104.26 1y1c n ASP 37 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1y1c n ASP 37 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1y1c s THR 38 N 0.00 3.14 -1.17 5.18 -1.32 -1.26 -5.04 115.64 115.17 1y1c s THR 38 Ca 0.00 -1.04 -0.23 0.00 -1.21 0.00 0.00 61.69 59.21 1y1c s THR 38 Cb 0.00 -2.35 -0.08 0.00 -1.51 0.00 0.00 72.50 68.56 1y1c s THR 38 CO 0.00 0.34 1.93 -2.16 -2.21 0.00 0.00 174.62 172.53 1y1c s PRO 39 N -1.48 2.50 0.88 7.08 0.04 -1.26 -4.71 135.00 138.05 1y1c s PRO 39 Ca 0.16 -1.11 -0.16 0.00 0.04 0.00 0.00 61.00 59.93 1y1c s PRO 39 Cb -0.11 -5.23 -0.09 0.00 0.04 0.00 0.00 34.50 29.11 1y1c s PRO 39 CO 0.07 -3.94 -0.26 0.44 0.04 0.00 0.00 177.00 173.35 1y1c n ILE 40 N 7.80 0.24 -3.55 0.56 -5.35 -1.26 -4.98 119.36 112.82 1y1c n ILE 40 Ca 0.44 -0.42 -0.27 0.00 -0.27 0.00 0.00 62.75 62.24 1y1c n ILE 40 Cb 0.47 -0.24 -0.15 0.00 -1.74 0.00 0.00 39.64 37.98 1y1c n ILE 40 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1y1c s GLU 41 N -2.32 0.16 0.22 6.28 2.02 -1.16 -4.83 118.70 119.07 1y1c s GLU 41 Ca 0.50 -0.37 -0.08 0.00 0.02 0.00 0.00 54.97 55.04 1y1c s GLU 41 Cb -0.25 -1.30 -0.07 0.00 0.10 0.00 0.00 34.13 32.60 1y1c s GLU 41 CO 0.74 -0.92 -0.04 1.28 0.02 0.00 0.00 175.26 176.34 1y1c n LEU 42 N 5.26 -1.60 0.00 1.80 7.99 -1.26 0.86 117.00 130.06 1y1c n LEU 42 Ca -0.06 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 1y1c n LEU 42 Cb 0.44 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1y1c n LEU 42 CO 0.05 -2.11 0.00 0.52 -1.51 0.00 0.00 177.39 174.34 1y1c n VAL 43 N -0.65 0.00 -3.67 4.08 0.31 0.10 -4.37 118.33 114.13 1y1c n VAL 43 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1y1c n VAL 43 Cb 0.21 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 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 -0.72 -0.92 3.52 0.00 -0.86 -5.02 115.29 110.30 1y1c s HIS 44 Ca 0.00 1.42 -0.09 0.00 -3.00 0.00 0.00 55.06 53.39 1y1c s HIS 44 Cb 0.00 0.26 -0.07 0.00 -4.00 0.00 0.00 32.58 28.77 1y1c s HIS 44 CO 0.00 -0.44 2.10 0.36 -1.00 0.00 0.00 174.74 175.76 1y1c n LYS 45 N 5.12 2.04 -0.03 -0.38 -0.00 -1.26 0.86 118.16 124.50 1y1c n LYS 45 Ca -0.12 -1.56 0.00 0.00 -0.00 0.00 0.00 58.31 56.63 1y1c n LYS 45 Cb 0.51 -2.56 0.00 0.00 -0.00 0.00 0.00 35.03 32.98 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y1c n GLY 46 N 3.90 1.15 2.48 2.58 0.00 -0.72 -4.77 105.19 109.81 1y1c n GLY 46 Ca 0.46 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 3.92 -0.04 1.61 1.74 -1.24 -1.99 116.66 120.66 1y1c n ARG 47 Ca 0.00 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 1y1c n ARG 47 Cb 0.00 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11