#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r9p n PRO 2 N 0.00 1.61 -0.01 5.56 -0.02 -1.26 -4.93 135.00 135.94 2r9p n PRO 2 Ca 0.00 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 2r9p n PRO 2 Cb 0.00 -2.13 0.63 0.00 -0.02 0.00 0.00 33.50 31.97 2r9p n PRO 2 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2r9p n ASP 3 N 0.60 1.03 0.13 2.55 5.75 -1.26 -2.85 116.55 122.50 2r9p n ASP 3 Ca 0.08 -1.38 0.12 0.00 -0.01 0.00 0.00 54.79 53.60 2r9p n ASP 3 Cb 0.38 -0.01 0.15 0.00 -1.03 0.00 0.00 41.12 40.61 2r9p n ASP 3 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 2r9p h PHE 4 N 1.58 0.00 0.00 2.11 -5.15 -1.99 -3.22 116.94 110.26 2r9p h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2r9p h PHE 4 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 2r9p h PHE 4 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 2r9p n LEU 6 N -2.03 0.70 -4.77 0.00 4.77 -1.22 -4.42 117.00 110.04 2r9p n LEU 6 Ca -0.00 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.38 2r9p n LEU 6 Cb 0.06 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2r9p n LEU 6 CO 0.09 0.14 0.86 -1.61 -1.33 0.00 0.00 177.39 175.55 2r9p s GLU 7 N -3.08 4.29 0.82 3.23 0.41 -1.08 -4.90 118.70 118.40 2r9p s GLU 7 Ca 0.07 1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 56.44 2r9p s GLU 7 Cb 0.16 -2.92 0.09 0.00 -1.78 0.00 0.00 34.13 29.69 2r9p s GLU 7 CO 0.81 -0.14 1.16 -2.14 -0.49 0.00 0.00 175.26 174.46 2r9p s PRO 8 N -1.94 1.62 0.71 0.39 0.02 -1.26 -4.92 135.00 129.61 2r9p s PRO 8 Ca 0.52 1.57 -0.16 0.00 0.02 0.00 0.00 61.00 62.95 2r9p s PRO 8 Cb -0.33 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.41 2r9p s PRO 8 CO 0.43 -2.19 1.18 -0.35 -0.33 0.00 0.00 177.00 175.75 2r9p n PRO 9 N -3.56 0.71 -3.75 5.54 -0.04 -1.26 -5.00 135.00 127.63 2r9p n PRO 9 Ca 0.12 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 2r9p n PRO 9 Cb 0.51 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.40 2r9p n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2r9p s TYR 10 N -1.69 1.70 0.19 0.54 6.14 -1.26 -4.98 117.35 117.99 2r9p s TYR 10 Ca 0.78 -1.65 -0.12 0.00 0.64 0.00 0.00 57.07 56.72 2r9p s TYR 10 Cb -0.35 -1.64 0.11 0.00 0.42 0.00 0.00 41.96 40.50 2r9p s TYR 10 CO 0.46 -0.84 1.83 1.15 0.64 0.00 0.00 175.55 178.79 2r9p h THR 11 N 6.51 1.19 -0.38 4.34 2.02 -1.95 -3.43 112.91 121.20 2r9p h THR 11 Ca -0.14 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 66.68 2r9p h THR 11 Cb 1.03 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2r9p h THR 11 CO 0.45 0.19 -0.07 0.61 0.37 0.00 0.00 175.52 177.08 2r9p n GLY 12 N -1.18 -1.45 0.10 2.16 0.00 -1.26 -1.15 105.19 102.41 2r9p n GLY 12 Ca 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 2r9p n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2r9p h PRO 13 N -0.16 0.00 -7.32 1.61 0.11 -1.94 -3.44 132.00 120.86 2r9p h PRO 13 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 2r9p h PRO 13 Cb 0.16 0.00 0.12 0.00 0.11 0.00 0.00 31.00 31.39 2r9p h PRO 13 CO 0.00 0.80 0.33 0.00 -0.21 0.00 0.00 178.00 178.92 2r9p n LYS 15 N -3.42 2.00 -1.96 0.00 5.02 -1.21 -4.41 118.16 114.19 2r9p n LYS 15 Ca 0.08 -3.43 -0.28 0.00 -2.02 0.00 0.00 58.31 52.66 2r9p n LYS 15 Cb 0.53 -1.78 0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2r9p n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r9p s ALA 16 N -3.31 2.75 -0.32 7.82 0.00 -0.11 -5.05 121.76 123.53 2r9p s ALA 16 Ca 0.42 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.71 2r9p s ALA 16 Cb 0.39 -2.89 0.09 0.00 0.00 0.00 0.00 23.12 20.70 2r9p s ALA 16 CO -0.04 -1.61 0.01 0.50 0.00 0.00 0.00 175.76 174.63 2r9p s ARG 17 N -5.52 1.82 -0.15 0.00 3.52 -1.26 -4.20 118.95 113.17 2r9p s ARG 17 Ca 0.62 -1.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.54 2r9p s ARG 17 Cb -0.11 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2r9p s ARG 17 CO 0.48 -0.82 -0.09 0.42 -0.81 0.00 0.00 175.30 174.48 2r9p s ILE 18 N 1.01 1.24 0.06 4.11 1.01 -0.32 -4.96 121.20 123.35 2r9p s ILE 18 Ca 0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 2r9p s ILE 18 Cb -0.20 -1.28 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 2r9p s ILE 18 CO -0.06 0.30 1.38 -0.51 0.00 0.00 0.00 174.94 176.05 2r9p s ILE 19 N 1.61 3.53 0.28 2.92 2.07 -1.26 0.07 121.20 130.41 2r9p s ILE 19 Ca 0.03 1.04 0.02 0.00 -1.41 0.00 0.00 60.65 60.33 2r9p s ILE 19 Cb -0.14 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.74 2r9p s ILE 19 CO -0.09 0.05 0.14 -0.13 -1.91 0.00 0.00 174.94 173.00 2r9p s ARG 20 N 1.63 1.50 -0.06 3.50 1.81 -0.72 -4.92 118.95 121.69 2r9p s ARG 20 Ca 0.64 -1.84 0.03 0.00 -1.72 0.00 0.00 55.73 52.84 2r9p s ARG 20 Cb -0.34 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.04 2r9p s ARG 20 CO 0.29 -0.40 -0.15 0.71 -0.68 0.00 0.00 175.30 175.06 2r9p s TYR 21 N -3.71 2.68 0.04 -0.53 1.51 -0.23 -1.17 117.35 115.95 2r9p s TYR 21 Ca 0.37 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 2r9p s TYR 21 Cb 0.06 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2r9p s TYR 21 CO 0.16 0.08 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.96 2r9p s PHE 22 N -0.51 1.13 -0.29 2.71 -0.12 -0.71 -0.87 117.98 119.32 2r9p s PHE 22 Ca 0.07 -0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 56.28 2r9p s PHE 22 Cb -0.12 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.60 2r9p s PHE 22 CO 0.01 0.03 1.39 -0.47 -0.05 0.00 0.00 175.22 176.13 2r9p s TYR 23 N -0.96 2.52 -0.63 3.49 6.14 -1.26 -1.42 117.35 125.23 2r9p s TYR 23 Ca -0.00 0.78 -0.22 0.00 0.64 0.00 0.00 57.07 58.26 2r9p s TYR 23 Cb -0.08 -3.95 0.07 0.00 0.42 0.00 0.00 41.96 38.42 2r9p s TYR 23 CO 0.01 -2.04 0.90 1.21 0.64 0.00 0.00 175.55 176.27 2r9p s ASN 24 N 3.23 6.20 0.23 4.32 3.04 -0.52 -4.71 114.94 126.73 2r9p s ASN 24 Ca 0.60 -0.98 -0.06 0.00 0.04 0.00 0.00 52.86 52.46 2r9p s ASN 24 Cb -0.19 -2.39 0.35 0.00 -1.54 0.00 0.00 41.25 37.48 2r9p s ASN 24 CO 0.25 -1.33 1.81 0.00 -3.04 0.00 0.00 177.10 174.79 2r9p h ALA 25 N 9.45 1.10 -0.47 1.71 0.00 -1.83 -0.50 119.26 128.71 2r9p h ALA 25 Ca -0.29 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 2r9p h ALA 25 Cb 1.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2r9p h ALA 25 CO 1.15 0.11 -0.15 -0.22 0.00 0.00 0.00 179.25 180.14 2r9p h LYS 26 N 0.78 0.94 0.00 0.00 3.64 -1.94 -2.44 116.57 117.55 2r9p h LYS 26 Ca 0.37 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2r9p h LYS 26 Cb 0.29 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2r9p h LYS 26 CO -0.22 1.03 -0.15 0.00 -2.27 0.00 0.00 179.45 177.84 2r9p h ALA 27 N 0.88 1.00 -0.14 5.00 0.00 -1.94 -3.47 119.26 120.59 2r9p h ALA 27 Ca 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2r9p h ALA 27 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2r9p h ALA 27 CO 0.05 0.18 -0.05 0.41 0.00 0.00 0.00 179.25 179.84 2r9p n GLY 28 N 0.23 0.61 3.82 0.00 0.00 -0.22 -5.01 105.19 104.62 2r9p n GLY 28 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 2r9p n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2r9p s LEU 29 N -0.65 -0.06 0.14 0.99 2.34 -1.16 -4.58 118.68 115.72 2r9p s LEU 29 Ca 0.00 -1.01 -0.14 0.00 0.06 0.00 0.00 54.13 53.04 2r9p s LEU 29 Cb 0.00 2.80 -0.07 0.00 -0.56 0.00 0.00 46.19 48.36 2r9p s LEU 29 CO 0.00 -1.59 0.55 0.00 -1.06 0.00 0.00 176.35 174.25 2r9p s GLN 31 N -1.92 1.42 0.25 0.00 -0.21 -0.51 -4.93 119.66 113.77 2r9p s GLN 31 Ca 0.37 -1.74 -0.04 0.00 0.02 0.00 0.00 55.36 53.97 2r9p s GLN 31 Cb -0.15 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.16 2r9p s GLN 31 CO 0.19 -0.13 0.50 0.95 -2.12 0.00 0.00 175.29 174.68 2r9p s THR 32 N -3.42 5.08 0.19 -0.19 -4.23 -1.26 -1.74 115.64 110.07 2r9p s THR 32 Ca 0.31 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 2r9p s THR 32 Cb 0.06 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 2r9p s THR 32 CO 0.11 -0.25 0.37 0.72 -0.54 0.00 0.00 174.62 175.03 2r9p s PHE 33 N -1.99 0.34 -0.27 3.99 -0.12 -0.32 -4.91 117.98 114.71 2r9p s PHE 33 Ca 0.42 -0.69 -0.18 0.00 -0.05 0.00 0.00 56.93 56.44 2r9p s PHE 33 Cb -0.11 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 2r9p s PHE 33 CO 0.29 -0.82 0.51 0.08 -0.05 0.00 0.00 175.22 175.22 2r9p s VAL 34 N -3.97 5.07 -0.12 -2.49 1.01 -1.26 -1.75 120.40 116.88 2r9p s VAL 34 Ca 0.18 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2r9p s VAL 34 Cb 0.02 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2r9p s VAL 34 CO 0.03 0.07 0.03 -0.47 0.00 0.00 0.00 175.10 174.76 2r9p s TYR 35 N 2.31 3.24 -0.58 5.22 5.04 0.11 -4.19 117.35 128.50 2r9p s TYR 35 Ca 0.21 0.17 0.24 0.00 -2.44 0.00 0.00 57.07 55.26 2r9p s TYR 35 Cb -0.16 -1.90 0.47 0.00 0.35 0.00 0.00 41.96 40.73 2r9p s TYR 35 CO 0.09 0.39 1.52 0.78 -1.34 0.00 0.00 175.55 177.00 2r9p h GLY 36 N 5.63 0.00 0.00 8.97 0.00 -1.30 -0.84 103.07 115.53 2r9p h GLY 36 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2r9p h GLY 36 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2r9p n GLY 37 N 1.25 1.02 3.24 4.60 0.00 -1.26 -0.94 105.19 113.10 2r9p n GLY 37 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2r9p n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r9p n ARG 39 N 0.38 -6.55 -1.65 0.00 1.74 -1.26 -4.49 116.66 104.83 2r9p n ARG 39 Ca -0.18 0.70 -0.46 0.00 -0.77 0.00 0.00 57.85 57.14 2r9p n ARG 39 Cb 0.60 -5.32 -0.03 0.00 -1.02 0.00 0.00 32.46 26.69 2r9p n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r9p n ALA 40 N -4.53 0.61 -1.73 7.54 0.00 -1.26 -4.87 120.51 116.25 2r9p n ALA 40 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 2r9p n ALA 40 Cb 0.55 -2.21 0.20 0.00 0.00 0.00 0.00 19.45 18.00 2r9p n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2r9p n LYS 41 N 1.93 -1.51 0.04 0.00 5.02 -1.26 -5.00 118.16 117.38 2r9p n LYS 41 Ca 0.12 -1.88 -0.12 0.00 -2.02 0.00 0.00 58.31 54.42 2r9p n LYS 41 Cb 0.30 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2r9p n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r9p h ARG 42 N 0.00 0.46 -3.56 1.97 3.08 -1.95 -3.32 114.38 111.06 2r9p h ARG 42 Ca -0.40 -0.40 -0.49 0.00 0.07 0.00 0.00 59.98 58.75 2r9p h ARG 42 Cb 1.12 0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.28 2r9p h ARG 42 CO 0.28 1.04 2.82 -1.71 -1.07 0.00 0.00 179.97 181.33 2r9p n ASN 43 N -3.83 5.17 -3.38 7.04 5.15 -1.26 -4.70 115.26 119.45 2r9p n ASN 43 Ca -0.05 -2.45 -0.09 0.00 -0.60 0.00 0.00 54.58 51.39 2r9p n ASN 43 Cb 0.74 -1.22 -0.08 0.00 -0.53 0.00 0.00 39.78 38.70 2r9p n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2r9p s ASN 44 N 3.43 0.12 0.20 1.20 3.84 -1.25 -4.44 114.94 118.03 2r9p s ASN 44 Ca 0.48 0.34 0.08 0.00 0.21 0.00 0.00 52.86 53.97 2r9p s ASN 44 Cb 0.12 1.18 -0.05 0.00 -0.55 0.00 0.00 41.25 41.96 2r9p s ASN 44 CO -0.02 -0.29 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.49 2r9p s PHE 45 N 2.56 1.71 -1.37 0.43 0.40 -0.05 -4.93 117.98 116.73 2r9p s PHE 45 Ca 0.11 -0.56 0.26 0.00 -0.60 0.00 0.00 56.93 56.14 2r9p s PHE 45 Cb -0.15 -0.80 0.68 0.00 0.51 0.00 0.00 43.02 43.26 2r9p s PHE 45 CO -0.16 0.35 1.52 1.63 0.70 0.00 0.00 175.22 179.27 2r9p n LYS 46 N -0.26 0.41 -3.82 0.44 5.02 -1.26 -1.07 118.16 117.62 2r9p n LYS 46 Ca -0.09 -0.23 -0.08 0.00 -2.02 0.00 0.00 58.31 55.89 2r9p n LYS 46 Cb 0.60 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.13 2r9p n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2r9p s SER 47 N -2.75 -0.01 -0.06 4.39 1.04 -1.26 -4.85 113.70 110.20 2r9p s SER 47 Ca 0.18 -1.02 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 2r9p s SER 47 Cb 0.18 0.78 -0.17 0.00 0.10 0.00 0.00 66.02 66.91 2r9p s SER 47 CO 0.60 -1.54 0.90 0.00 0.98 0.00 0.00 173.24 174.19 2r9p h ALA 48 N 2.00 -0.16 -0.87 5.32 0.00 -1.97 -1.62 119.26 121.95 2r9p h ALA 48 Ca -0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2r9p h ALA 48 Cb 1.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2r9p h ALA 48 CO 0.39 -0.26 0.53 0.93 0.00 0.00 0.00 179.25 180.84 2r9p h GLU 49 N -0.82 1.18 -0.17 0.00 3.07 -1.98 0.31 114.58 116.17 2r9p h GLU 49 Ca -0.02 -0.10 0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2r9p h GLU 49 Cb 0.56 -0.25 -0.07 0.00 -0.84 0.00 0.00 28.75 28.15 2r9p h GLU 49 CO 0.03 0.82 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.69 2r9p h ASP 50 N 1.20 -1.04 -0.22 1.42 5.19 -1.97 -1.24 116.42 119.76 2r9p h ASP 50 Ca 0.31 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.85 2r9p h ASP 50 Cb -0.06 0.45 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 2r9p h ASP 50 CO -0.06 -0.36 0.04 0.00 -3.12 0.00 0.00 179.24 175.74 2r9p h MET 52 N 0.17 0.00 0.00 0.00 2.86 -0.42 0.35 114.93 117.89 2r9p h MET 52 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2r9p h MET 52 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2r9p h MET 52 CO 0.00 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.34 2r9p h ARG 53 N 0.00 0.00 0.00 1.72 3.08 -1.00 0.21 114.38 118.39 2r9p h ARG 53 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2r9p h ARG 53 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2r9p h ARG 53 CO 0.05 0.00 -1.56 2.41 -1.07 0.00 0.00 179.97 179.80 2r9p n THR 54 N -2.84 0.36 0.00 2.04 -1.04 -1.00 -4.77 114.28 107.03 2r9p n THR 54 Ca 0.03 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2r9p n THR 54 Cb 0.38 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 2r9p n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r9p n GLY 56 N 1.54 0.19 3.32 0.00 0.00 0.72 -0.05 105.19 110.90 2r9p n GLY 56 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.74 2r9p n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r9p n GLY 57 N 4.66 -0.26 0.75 -0.02 0.00 -1.26 -4.53 105.19 104.53 2r9p n GLY 57 Ca 0.35 1.20 0.09 0.00 0.00 0.00 0.00 46.02 47.66 2r9p n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32