#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa s SER 2 N 0.00 3.69 -0.04 1.61 0.15 -1.26 -5.15 113.70 112.70 2ysa s SER 2 Ca 0.00 -1.41 0.04 0.00 0.70 0.00 0.00 55.95 55.28 2ysa s SER 2 Cb 0.00 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2ysa s SER 2 CO 0.00 -0.53 -0.17 -0.55 1.20 0.00 0.00 173.24 173.18 2ysa s SER 3 N -3.70 2.18 0.28 5.45 0.15 -1.26 -4.97 113.70 111.83 2ysa s SER 3 Ca 0.31 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2ysa s SER 3 Cb 0.09 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2ysa s SER 3 CO 0.16 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2ysa n GLY 4 N 3.12 -1.69 0.07 9.45 0.00 -1.26 -4.98 105.19 109.91 2ysa n GLY 4 Ca -0.18 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 2ysa n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ysa h SER 5 N 0.00 -0.03 -0.26 1.61 0.87 -1.94 -3.35 113.55 110.46 2ysa h SER 5 Ca 0.00 -0.71 0.06 0.00 -1.23 0.00 0.00 61.79 59.91 2ysa h SER 5 Cb 0.00 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 2ysa h SER 5 CO 0.00 0.77 -0.34 -1.28 -0.53 0.00 0.00 176.83 175.46 2ysa h SER 6 N -0.90 -1.09 0.00 6.23 0.87 -1.95 -3.47 113.55 113.25 2ysa h SER 6 Ca -0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2ysa h SER 6 Cb 0.74 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2ysa h SER 6 CO 0.01 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.57 2ysa n GLY 7 N -1.41 2.79 3.80 5.77 0.00 -1.26 -5.05 105.19 109.83 2ysa n GLY 7 Ca -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 2ysa n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ysa s TYR 8 N 0.00 -0.18 0.01 1.61 -0.85 -1.26 -4.80 117.35 111.88 2ysa s TYR 8 Ca 0.00 -0.20 -0.18 0.00 -0.52 0.00 0.00 57.07 56.16 2ysa s TYR 8 Cb 0.00 0.67 0.03 0.00 0.38 0.00 0.00 41.96 43.05 2ysa s TYR 8 CO 0.00 -1.04 0.40 0.99 -1.52 0.00 0.00 175.55 174.38 2ysa s THR 9 N -3.63 0.05 -0.28 -3.49 2.01 -1.26 -4.78 115.64 104.26 2ysa s THR 9 Ca 0.11 -0.43 -0.34 0.00 0.31 0.00 0.00 61.69 61.34 2ysa s THR 9 Cb -0.04 -0.85 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 2ysa s THR 9 CO 0.04 -0.24 2.12 0.00 -0.69 0.00 0.00 174.62 175.86 2ysa n PHE 11 N 9.44 0.00 -0.05 0.00 7.35 -1.26 -1.00 117.46 131.93 2ysa n PHE 11 Ca 0.35 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 57.02 2ysa n PHE 11 Cb 0.27 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.09 2ysa n PHE 11 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2ysa h ARG 12 N 0.00 0.00 0.00 -4.13 2.43 -1.91 -3.44 114.38 107.34 2ysa h ARG 12 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2ysa h ARG 12 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2ysa h ARG 12 CO 0.00 0.00 -2.23 0.00 -1.51 0.00 0.00 179.97 176.23 2ysa n GLY 14 N 1.97 1.01 3.07 0.00 0.00 -0.17 -5.09 105.19 105.97 2ysa n GLY 14 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2ysa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysa s LYS 15 N -0.01 1.58 0.93 1.61 -0.14 -1.24 -4.89 119.74 117.58 2ysa s LYS 15 Ca 0.00 -0.47 -0.16 0.00 -1.36 0.00 0.00 55.97 53.98 2ysa s LYS 15 Cb 0.00 -1.36 0.23 0.00 -1.68 0.00 0.00 37.83 35.02 2ysa s LYS 15 CO 0.00 0.14 0.82 -0.35 -0.76 0.00 0.00 175.35 175.20 2ysa n PRO 16 N 3.42 -2.64 0.00 -1.68 -0.04 -1.26 -2.55 135.00 130.25 2ysa n PRO 16 Ca -0.20 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2ysa n PRO 16 Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2ysa n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ysa n GLY 17 N -3.00 1.87 3.42 0.55 0.00 -1.26 -4.87 105.19 101.90 2ysa n GLY 17 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2ysa n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ysa s HIS 18 N -0.44 1.76 0.38 1.61 -3.43 -1.26 -5.10 115.29 108.81 2ysa s HIS 18 Ca 0.00 -1.17 0.08 0.00 -0.80 0.00 0.00 55.06 53.17 2ysa s HIS 18 Cb 0.00 -1.09 -0.06 0.00 -1.43 0.00 0.00 32.58 30.00 2ysa s HIS 18 CO 0.00 -0.24 0.06 1.52 -2.00 0.00 0.00 174.74 174.08 2ysa s TYR 19 N -3.43 2.56 -1.00 0.38 1.13 -1.26 -2.72 117.35 113.01 2ysa s TYR 19 Ca 0.33 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 2ysa s TYR 19 Cb 0.06 -1.71 0.00 0.00 -1.10 0.00 0.00 41.96 39.21 2ysa s TYR 19 CO 0.15 0.38 0.96 1.51 -2.51 0.00 0.00 175.55 176.04 2ysa n ILE 20 N -1.04 1.85 -0.06 -3.49 3.06 -1.26 0.04 119.36 118.45 2ysa n ILE 20 Ca -0.03 0.48 -0.12 0.00 -2.50 0.00 0.00 62.75 60.58 2ysa n ILE 20 Cb 0.64 -1.48 -0.14 0.00 0.54 0.00 0.00 39.64 39.20 2ysa n ILE 20 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2ysa n LYS 21 N -1.46 0.67 -0.38 9.51 4.76 -1.26 -4.25 118.16 125.76 2ysa n LYS 21 Ca 0.00 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 2ysa n LYS 21 Cb 0.02 -1.65 0.25 0.00 -1.84 0.00 0.00 35.03 31.80 2ysa n LYS 21 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ysa n ASN 22 N -3.04 3.74 -4.75 4.39 5.15 -0.01 -5.01 115.26 115.74 2ysa n ASN 22 Ca -0.28 -2.38 -0.41 0.00 -0.60 0.00 0.00 54.58 50.90 2ysa n ASN 22 Cb 1.08 -0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 39.89 2ysa n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysa h PRO 24 N 4.95 0.00 -0.07 0.00 0.13 -1.95 -2.96 132.00 132.10 2ysa h PRO 24 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2ysa h PRO 24 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ysa h PRO 24 CO 0.79 0.35 -0.56 1.79 -0.23 0.00 0.00 178.00 180.15 2ysa h THR 25 N 0.00 1.37 0.00 1.56 1.35 -1.93 -2.61 112.91 112.65 2ysa h THR 25 Ca -0.00 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2ysa h THR 25 Cb 0.76 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2ysa h THR 25 CO 0.05 0.55 0.00 -0.46 -0.25 0.00 0.00 175.52 175.41 2ysa n ASN 26 N -3.91 0.00 -1.32 5.36 0.23 -1.12 -2.33 115.26 112.17 2ysa n ASN 26 Ca -0.02 0.05 0.03 0.00 -0.53 0.00 0.00 54.58 54.12 2ysa n ASN 26 Cb 0.58 -0.23 0.02 0.00 -2.08 0.00 0.00 39.78 38.07 2ysa n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ysa n GLY 27 N -0.39 1.07 3.47 4.83 0.00 -1.01 -5.08 105.19 108.07 2ysa n GLY 27 Ca 0.05 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 2ysa n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysa s ASP 28 N -1.89 2.45 -0.07 1.61 1.11 -0.99 -5.06 116.67 113.82 2ysa s ASP 28 Ca 0.29 -1.52 -0.07 0.00 0.18 0.00 0.00 52.55 51.43 2ysa s ASP 28 Cb 0.33 0.23 -0.02 0.00 1.07 0.00 0.00 42.92 44.53 2ysa s ASP 28 CO -0.14 -0.78 -0.13 0.29 1.18 0.00 0.00 175.17 175.59 2ysa n LYS 29 N -0.77 0.22 -0.11 8.23 4.76 -1.26 -4.86 118.16 124.36 2ysa n LYS 29 Ca -0.04 0.19 -0.23 0.00 -2.87 0.00 0.00 58.31 55.37 2ysa n LYS 29 Cb 0.66 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.75 2ysa n LYS 29 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ysa n ASN 30 N -3.35 1.90 -2.82 4.39 4.13 -1.26 -4.96 115.26 113.30 2ysa n ASN 30 Ca -0.05 0.40 -0.13 0.00 1.68 0.00 0.00 54.58 56.48 2ysa n ASN 30 Cb 0.19 -0.89 -0.01 0.00 -1.54 0.00 0.00 39.78 37.53 2ysa n ASN 30 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2ysa n PHE 31 N -4.38 -1.67 -4.18 3.10 -1.74 -1.26 -4.91 117.46 102.41 2ysa n PHE 31 Ca -0.38 0.16 -0.16 0.00 -0.56 0.00 0.00 57.45 56.51 2ysa n PHE 31 Cb 0.72 -2.26 -0.13 0.00 1.52 0.00 0.00 39.48 39.33 2ysa n PHE 31 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 2ysa s GLU 32 N -5.40 0.67 -0.10 3.97 2.12 -1.26 -5.01 118.70 113.69 2ysa s GLU 32 Ca 0.15 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 54.76 2ysa s GLU 32 Cb -0.08 -0.58 -0.26 0.00 0.26 0.00 0.00 34.13 33.47 2ysa s GLU 32 CO 0.19 0.13 0.43 -1.13 -0.54 0.00 0.00 175.26 174.34 2ysa n SER 33 N 1.82 1.87 0.00 -1.70 3.41 -1.26 -5.08 113.62 112.68 2ysa n SER 33 Ca -0.19 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2ysa n SER 33 Cb 0.55 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2ysa n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysa n GLY 34 N 1.91 3.50 3.77 5.00 0.00 -1.26 -5.12 105.19 112.98 2ysa n GLY 34 Ca -0.29 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2ysa n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysa s PRO 35 N -2.37 4.46 -0.15 1.61 0.04 -1.26 -4.99 135.00 132.34 2ysa s PRO 35 Ca 0.00 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 2ysa s PRO 35 Cb 0.00 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 2ysa s PRO 35 CO 0.00 -0.04 0.93 -0.98 0.04 0.00 0.00 177.00 176.95 2ysa s ARG 36 N -1.65 4.34 -0.14 4.56 3.03 -1.26 -4.92 118.95 122.92 2ysa s ARG 36 Ca 0.47 1.20 0.18 0.00 2.03 0.00 0.00 55.73 59.62 2ysa s ARG 36 Cb -0.37 -3.57 -0.25 0.00 -1.03 0.00 0.00 34.95 29.73 2ysa s ARG 36 CO 0.48 -0.36 0.26 1.51 -1.13 0.00 0.00 175.30 176.06 2ysa n ILE 37 N 4.73 1.18 -0.95 4.99 3.06 -1.26 -4.97 119.36 126.14 2ysa n ILE 37 Ca 0.07 -0.78 -0.31 0.00 -2.50 0.00 0.00 62.75 59.23 2ysa n ILE 37 Cb 0.48 -0.47 0.14 0.00 0.54 0.00 0.00 39.64 40.34 2ysa n ILE 37 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2ysa s LYS 38 N -2.70 1.32 -0.12 9.51 1.02 -1.26 -5.03 119.74 122.48 2ysa s LYS 38 Ca -0.09 1.26 -0.03 0.00 0.02 0.00 0.00 55.97 57.14 2ysa s LYS 38 Cb 0.08 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.57 2ysa s LYS 38 CO 0.84 -2.32 -0.01 -1.59 -0.92 0.00 0.00 175.35 171.34 2ysa s LYS 39 N -4.76 3.37 -0.16 1.68 -2.85 -1.26 -5.07 119.74 110.69 2ysa s LYS 39 Ca 0.64 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.86 2ysa s LYS 39 Cb -0.20 -2.88 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 2ysa s LYS 39 CO 0.58 0.46 1.51 -1.12 0.10 0.00 0.00 175.35 176.87 2ysa s SER 40 N -0.22 6.65 -0.00 0.03 0.01 -1.26 -4.96 113.70 113.95 2ysa s SER 40 Ca 0.05 1.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.81 2ysa s SER 40 Cb -0.13 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 2ysa s SER 40 CO 0.02 -1.00 1.53 0.28 0.41 0.00 0.00 173.24 174.48 2ysa s THR 41 N 4.29 3.51 0.00 1.44 -1.32 -1.26 -4.83 115.64 117.47 2ysa s THR 41 Ca 0.66 0.84 0.00 0.00 -1.21 0.00 0.00 61.69 61.98 2ysa s THR 41 Cb -0.26 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2ysa s THR 41 CO 0.25 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 2ysa n GLY 42 N 3.87 3.46 3.54 6.08 0.00 -1.26 -5.08 105.19 115.80 2ysa n GLY 42 Ca 0.15 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 2ysa n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ysa n ILE 43 N -1.16 2.68 0.97 -0.61 -0.00 -1.26 -4.82 119.36 115.17 2ysa n ILE 43 Ca 0.00 -0.44 0.04 0.00 -0.00 0.00 0.00 62.75 62.35 2ysa n ILE 43 Cb 0.00 -0.93 0.23 0.00 -0.00 0.00 0.00 39.64 38.94 2ysa n ILE 43 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2ysa n PRO 44 N -1.00 0.49 -4.31 6.28 -0.04 -1.26 -4.62 135.00 130.53 2ysa n PRO 44 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 2ysa n PRO 44 Cb 0.49 -1.25 -0.15 0.00 -0.04 0.00 0.00 33.50 32.55 2ysa n PRO 44 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ysa s ARG 45 N -2.00 0.79 0.26 0.54 1.81 -1.26 -5.15 118.95 113.94 2ysa s ARG 45 Ca 0.12 -0.26 0.09 0.00 -1.72 0.00 0.00 55.73 53.96 2ysa s ARG 45 Cb 0.05 -0.76 -0.04 0.00 -0.45 0.00 0.00 34.95 33.75 2ysa s ARG 45 CO 0.09 0.10 0.02 0.45 -0.68 0.00 0.00 175.30 175.28 2ysa s SER 46 N 0.16 4.66 1.22 0.23 0.15 -1.26 -5.12 113.70 113.74 2ysa s SER 46 Ca -0.02 -0.59 -0.18 0.00 0.70 0.00 0.00 55.95 55.86 2ysa s SER 46 Cb -0.07 -0.91 0.26 0.00 -1.71 0.00 0.00 66.02 63.58 2ysa s SER 46 CO 0.00 0.00 0.57 2.22 1.20 0.00 0.00 173.24 177.23 2ysa n PHE 47 N -0.88 -2.62 -4.53 3.44 -1.74 -1.26 -5.05 117.46 104.81 2ysa n PHE 47 Ca -0.07 -0.31 -0.25 0.00 -0.56 0.00 0.00 57.45 56.26 2ysa n PHE 47 Cb 0.59 -1.43 -0.09 0.00 1.52 0.00 0.00 39.48 40.06 2ysa n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 2ysa s MET 48 N -4.16 1.85 -0.54 3.97 -1.94 -1.26 -5.08 119.30 112.13 2ysa s MET 48 Ca 0.55 -2.09 -0.27 0.00 -1.71 0.00 0.00 55.69 52.16 2ysa s MET 48 Cb -0.12 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.74 2ysa s MET 48 CO 0.51 -0.29 1.68 -1.64 -0.01 0.00 0.00 175.02 175.27 2ysa s MET 49 N -3.81 3.01 -0.01 2.03 -1.94 -1.26 -4.82 119.30 112.49 2ysa s MET 49 Ca 0.28 0.70 0.03 0.00 -1.71 0.00 0.00 55.69 54.99 2ysa s MET 49 Cb 0.06 -4.26 0.11 0.00 2.01 0.00 0.00 34.83 32.75 2ysa s MET 49 CO 0.14 -2.28 1.00 0.39 -0.01 0.00 0.00 175.02 174.27 2ysa n GLU 50 N 8.87 1.35 -3.77 2.03 -0.58 -1.26 -4.88 120.64 122.39 2ysa n GLU 50 Ca 0.18 -0.44 -0.24 0.00 -0.42 0.00 0.00 57.16 56.24 2ysa n GLU 50 Cb 0.50 -1.20 0.03 0.00 -0.57 0.00 0.00 31.44 30.19 2ysa n GLU 50 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ysa n VAL 51 N -0.10 -3.73 -0.07 2.62 0.31 -1.26 -4.89 118.33 111.21 2ysa n VAL 51 Ca 0.04 -0.36 -0.07 0.00 -0.01 0.00 0.00 64.34 63.94 2ysa n VAL 51 Cb 0.16 -3.48 -0.10 0.00 -0.91 0.00 0.00 33.84 29.52 2ysa n VAL 51 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2ysa n LYS 52 N -4.40 1.73 -3.05 5.55 -0.00 -1.26 -4.91 118.16 111.83 2ysa n LYS 52 Ca -0.21 0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.68 2ysa n LYS 52 Cb 0.64 -1.33 -0.06 0.00 -0.00 0.00 0.00 35.03 34.28 2ysa n LYS 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2ysa s ASP 53 N -4.69 6.36 0.21 -5.58 2.15 -1.26 -4.93 116.67 108.93 2ysa s ASP 53 Ca -0.08 -0.26 -0.03 0.00 0.43 0.00 0.00 52.55 52.61 2ysa s ASP 53 Cb 0.04 -2.35 0.17 0.00 -0.30 0.00 0.00 42.92 40.49 2ysa s ASP 53 CO 0.50 -0.84 1.57 1.55 -0.17 0.00 0.00 175.17 177.78 2ysa h PRO 54 N 8.92 0.60 0.00 4.34 0.13 -2.03 -3.52 132.00 140.44 2ysa h PRO 54 Ca -0.25 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2ysa h PRO 54 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2ysa h PRO 54 CO 0.92 0.91 0.00 0.09 -0.23 0.00 0.00 178.00 179.69