#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 0.34 0.24 5.56 -0.02 -1.26 -4.86 135.00 134.99 2r9p n PRO 2 Ca 0.00 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2r9p n PRO 2 Cb 0.00 -2.26 0.38 0.00 -0.02 0.00 0.00 33.50 31.60 2r9p n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2r9p h ASP 3 N -0.57 0.00 1.09 2.55 3.45 -2.00 -2.94 116.42 118.01 2r9p h ASP 3 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2r9p h ASP 3 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 2r9p h ASP 3 CO 0.45 0.05 0.00 2.19 -1.57 0.00 0.00 179.24 180.37 2r9p h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -2.34 116.94 112.02 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 0.82 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.99 2r9p h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 2r9p n LEU 6 N -1.63 2.75 -4.77 0.00 4.77 -0.88 -4.40 117.00 112.83 2r9p n LEU 6 Ca 0.05 -1.12 -0.38 0.00 -0.03 0.00 0.00 56.01 54.53 2r9p n LEU 6 Cb 0.28 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2r9p n LEU 6 CO 0.22 0.51 0.70 -1.61 -1.33 0.00 0.00 177.39 175.88 2r9p s GLU 7 N -1.55 4.59 0.72 3.23 0.41 -1.11 -4.96 118.70 120.03 2r9p s GLU 7 Ca 0.25 1.53 -0.16 0.00 -0.41 0.00 0.00 54.97 56.17 2r9p s GLU 7 Cb 0.17 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 2r9p s GLU 7 CO 0.25 0.24 0.94 -2.30 -0.49 0.00 0.00 175.26 173.90 2r9p n PRO 8 N 0.84 0.51 -1.50 0.39 -0.02 -1.26 -4.95 135.00 129.01 2r9p n PRO 8 Ca 0.01 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 2r9p n PRO 8 Cb 0.48 -2.19 0.07 0.00 -0.02 0.00 0.00 33.50 31.84 2r9p n PRO 8 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2r9p s PRO 9 N -3.27 2.44 -0.28 0.52 0.04 -1.26 -4.99 135.00 128.20 2r9p s PRO 9 Ca 0.73 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2r9p s PRO 9 Cb -0.35 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.37 2r9p s PRO 9 CO 0.51 -1.53 0.00 -0.47 0.04 0.00 0.00 177.00 175.55 2r9p s TYR 10 N -2.49 2.68 0.19 0.56 6.14 -1.26 -4.97 117.35 118.20 2r9p s TYR 10 Ca 0.66 -2.13 -0.09 0.00 0.64 0.00 0.00 57.07 56.15 2r9p s TYR 10 Cb -0.21 -2.00 0.10 0.00 0.42 0.00 0.00 41.96 40.27 2r9p s TYR 10 CO 0.47 -0.85 1.70 1.15 0.64 0.00 0.00 175.55 178.67 2r9p h THR 11 N 6.62 1.26 0.00 4.34 2.02 -1.95 -3.44 112.91 121.76 2r9p h THR 11 Ca -0.13 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2r9p h THR 11 Cb 1.04 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2r9p h THR 11 CO 0.46 0.37 0.00 0.61 0.37 0.00 0.00 175.52 177.33 2r9p n GLY 12 N -0.65 -1.09 0.18 2.16 0.00 -1.26 -0.62 105.19 103.92 2r9p n GLY 12 Ca 0.05 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.53 2r9p n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r9p h PRO 13 N 0.00 0.00 -7.35 1.61 0.13 -1.94 -3.43 132.00 121.01 2r9p h PRO 13 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2r9p h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2r9p h PRO 13 CO 0.00 0.27 0.38 0.00 -0.23 0.00 0.00 178.00 178.42 2r9p n LYS 15 N -3.08 2.06 -2.30 0.00 5.02 -1.12 -4.30 118.16 114.43 2r9p n LYS 15 Ca 0.07 -3.46 -0.26 0.00 -2.02 0.00 0.00 58.31 52.65 2r9p n LYS 15 Cb 0.54 -1.80 0.10 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 -3.33 3.20 -0.41 7.82 0.00 -0.43 -5.05 121.76 123.56 2r9p s ALA 16 Ca 0.42 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2r9p s ALA 16 Cb 0.39 -2.40 0.12 0.00 0.00 0.00 0.00 23.12 21.22 2r9p s ALA 16 CO -0.03 -1.55 0.17 0.50 0.00 0.00 0.00 175.76 174.85 2r9p s ARG 17 N -5.31 1.39 -0.21 0.00 3.52 -1.26 -4.17 118.95 112.91 2r9p s ARG 17 Ca 0.65 -1.94 -0.05 0.00 -0.13 0.00 0.00 55.73 54.26 2r9p s ARG 17 Cb -0.07 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 2r9p s ARG 17 CO 0.46 -1.06 -0.01 0.42 -0.81 0.00 0.00 175.30 174.30 2r9p s ILE 18 N 0.58 3.79 -0.05 4.11 1.01 -0.64 -4.97 121.20 125.03 2r9p s ILE 18 Ca 0.14 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 2r9p s ILE 18 Cb -0.22 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2r9p s ILE 18 CO -0.07 0.42 1.22 -0.63 0.00 0.00 0.00 174.94 175.88 2r9p s ILE 19 N 1.23 4.21 0.25 2.92 1.01 -1.26 -0.31 121.20 129.24 2r9p s ILE 19 Ca 0.03 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.25 2r9p s ILE 19 Cb -0.15 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2r9p s ILE 19 CO 0.01 -0.00 0.03 -0.13 0.00 0.00 0.00 174.94 174.84 2r9p s ARG 20 N 2.25 1.38 0.03 2.79 1.81 -0.77 -4.93 118.95 121.51 2r9p s ARG 20 Ca 0.57 -1.72 0.02 0.00 -1.72 0.00 0.00 55.73 52.88 2r9p s ARG 20 Cb -0.25 -0.54 -0.04 0.00 -0.45 0.00 0.00 34.95 33.67 2r9p s ARG 20 CO 0.22 -0.16 0.02 0.71 -0.68 0.00 0.00 175.30 175.41 2r9p s TYR 21 N -3.50 3.08 0.01 -0.53 1.51 -0.04 -1.05 117.35 116.84 2r9p s TYR 21 Ca 0.31 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2r9p s TYR 21 Cb 0.07 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2r9p s TYR 21 CO 0.10 0.48 0.06 -0.59 -1.11 0.00 0.00 175.55 174.50 2r9p s PHE 22 N -1.19 0.13 -0.26 2.71 -0.12 -0.38 -0.11 117.98 118.76 2r9p s PHE 22 Ca 0.23 -0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 56.53 2r9p s PHE 22 Cb -0.12 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.17 2r9p s PHE 22 CO 0.14 -0.24 1.12 -0.47 -0.05 0.00 0.00 175.22 175.73 2r9p s TYR 23 N -1.36 3.12 -0.53 3.49 6.14 -1.26 -0.88 117.35 126.07 2r9p s TYR 23 Ca -0.15 1.23 -0.20 0.00 0.64 0.00 0.00 57.07 58.60 2r9p s TYR 23 Cb -0.08 -3.52 0.06 0.00 0.42 0.00 0.00 41.96 38.84 2r9p s TYR 23 CO 0.00 -0.92 0.67 1.21 0.64 0.00 0.00 175.55 177.15 2r9p s ASN 24 N 1.66 6.23 0.13 4.32 3.84 -0.77 -4.76 114.94 125.58 2r9p s ASN 24 Ca 0.48 -0.95 -0.19 0.00 0.21 0.00 0.00 52.86 52.41 2r9p s ASN 24 Cb -0.15 -2.31 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 2r9p s ASN 24 CO 0.12 -0.97 1.76 0.00 -2.79 0.00 0.00 177.10 175.23 2r9p h ALA 25 N 9.07 0.27 -0.30 1.71 0.00 -1.83 -0.37 119.26 127.81 2r9p h ALA 25 Ca -0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2r9p h ALA 25 Cb 1.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2r9p h ALA 25 CO 1.00 -0.30 0.09 0.87 0.00 0.00 0.00 179.25 180.91 2r9p h LYS 26 N 0.23 0.42 0.00 0.00 1.79 -1.95 -2.50 116.57 114.57 2r9p h LYS 26 Ca 0.09 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 2r9p h LYS 26 Cb 0.03 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2r9p h LYS 26 CO -0.07 0.38 -0.80 0.00 -1.08 0.00 0.00 179.45 177.88 2r9p h ALA 27 N 1.68 0.60 0.00 3.86 0.00 -1.91 -3.48 119.26 120.02 2r9p h ALA 27 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2r9p h ALA 27 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2r9p h ALA 27 CO -0.01 1.00 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2r9p n GLY 28 N 0.96 0.73 3.57 0.00 0.00 -0.18 -5.03 105.19 105.24 2r9p n GLY 28 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.31 0.19 0.99 2.34 -1.18 -4.91 118.68 116.42 2r9p s LEU 29 Ca 0.00 -0.83 -0.17 0.00 0.06 0.00 0.00 54.13 53.19 2r9p s LEU 29 Cb 0.00 1.83 -0.08 0.00 -0.56 0.00 0.00 46.19 47.38 2r9p s LEU 29 CO 0.00 -1.11 0.65 0.00 -1.06 0.00 0.00 176.35 174.83 2r9p s GLN 31 N -1.98 1.77 0.25 0.00 -0.21 -0.06 -4.93 119.66 114.49 2r9p s GLN 31 Ca 0.41 -2.04 0.07 0.00 0.02 0.00 0.00 55.36 53.82 2r9p s GLN 31 Cb -0.16 -0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 2r9p s GLN 31 CO 0.20 -0.52 0.17 0.95 -2.12 0.00 0.00 175.29 173.97 2r9p s THR 32 N -3.41 4.33 0.21 -0.19 -4.23 -1.26 -1.25 115.64 109.84 2r9p s THR 32 Ca 0.32 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 2r9p s THR 32 Cb 0.03 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.56 2r9p s THR 32 CO 0.19 -0.33 0.50 0.72 -0.54 0.00 0.00 174.62 175.16 2r9p s PHE 33 N -2.13 0.07 -0.23 3.99 -0.12 -0.21 -4.91 117.98 114.44 2r9p s PHE 33 Ca 0.32 -0.43 -0.18 0.00 -0.05 0.00 0.00 56.93 56.59 2r9p s PHE 33 Cb -0.08 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2r9p s PHE 33 CO 0.24 -0.94 0.50 0.08 -0.05 0.00 0.00 175.22 175.05 2r9p s VAL 34 N -3.93 5.10 -0.17 -2.49 1.01 -1.26 -1.84 120.40 116.82 2r9p s VAL 34 Ca 0.14 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 2r9p s VAL 34 Cb -0.01 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2r9p s VAL 34 CO 0.02 0.13 0.15 -0.47 0.00 0.00 0.00 175.10 174.93 2r9p s TYR 35 N 1.98 3.48 -0.71 5.22 5.04 0.58 -4.30 117.35 128.63 2r9p s TYR 35 Ca 0.22 0.42 0.25 0.00 -2.44 0.00 0.00 57.07 55.52 2r9p s TYR 35 Cb -0.15 -2.11 0.89 0.00 0.35 0.00 0.00 41.96 40.94 2r9p s TYR 35 CO 0.09 0.43 1.77 0.41 -1.34 0.00 0.00 175.55 176.91 2r9p n GLY 36 N 3.03 -1.56 0.00 8.97 0.00 0.21 -1.62 105.19 114.22 2r9p n GLY 36 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2r9p n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r9p n GLY 37 N 0.98 0.99 3.33 -0.02 0.00 -1.26 -1.31 105.19 107.90 2r9p n GLY 37 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.33 -1.15 -1.62 0.00 5.12 -1.26 -4.45 116.66 113.63 2r9p n ARG 39 Ca -0.18 0.47 -0.38 0.00 -1.93 0.00 0.00 57.85 55.83 2r9p n ARG 39 Cb 0.61 -4.48 0.05 0.00 -1.16 0.00 0.00 32.46 27.48 2r9p n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2r9p n ALA 40 N -1.75 0.28 -3.27 7.54 0.00 -1.26 -4.84 120.51 117.21 2r9p n ALA 40 Ca -0.10 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2r9p n ALA 40 Cb 0.58 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.86 0.66 0.13 0.00 5.02 -1.26 -5.05 118.16 116.80 2r9p n LYS 41 Ca 0.13 -2.98 -0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2r9p n LYS 41 Cb 0.46 -0.06 0.06 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.00 -3.82 1.97 3.08 -1.96 -3.34 114.38 110.31 2r9p h ARG 42 Ca -0.27 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.11 2r9p h ARG 42 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2r9p h ARG 42 CO 0.40 0.63 3.13 -1.71 -1.07 0.00 0.00 179.97 181.35 2r9p n ASN 43 N -3.37 4.81 -3.15 7.04 5.15 -1.26 -4.69 115.26 119.78 2r9p n ASN 43 Ca 0.01 -2.72 0.04 0.00 -0.60 0.00 0.00 54.58 51.31 2r9p n ASN 43 Cb 0.74 -1.51 -0.01 0.00 -0.53 0.00 0.00 39.78 38.48 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 3.28 -1.33 0.14 1.20 3.84 -1.25 -4.57 114.94 116.26 2r9p s ASN 44 Ca 0.53 0.50 0.08 0.00 0.21 0.00 0.00 52.86 54.18 2r9p s ASN 44 Cb 0.15 1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 42.79 2r9p s ASN 44 CO -0.05 -0.25 -0.18 -0.36 -2.79 0.00 0.00 177.10 173.47 2r9p s PHE 45 N 2.86 1.74 -0.22 0.43 0.40 0.84 -4.93 117.98 119.11 2r9p s PHE 45 Ca 0.15 -0.46 0.19 0.00 -0.60 0.00 0.00 56.93 56.21 2r9p s PHE 45 Cb -0.12 -0.90 0.27 0.00 0.51 0.00 0.00 43.02 42.79 2r9p s PHE 45 CO -0.22 0.26 1.55 0.87 0.70 0.00 0.00 175.22 178.38 2r9p h LYS 46 N 3.55 0.00 -4.49 0.44 1.57 -1.94 -0.06 116.57 115.64 2r9p h LYS 46 Ca -0.43 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.14 2r9p h LYS 46 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2r9p h LYS 46 CO 0.47 0.29 -0.62 -1.54 -0.57 0.00 0.00 179.45 177.49 2r9p s SER 47 N -6.33 0.21 0.20 0.86 1.04 -1.26 -4.85 113.70 103.58 2r9p s SER 47 Ca 0.05 -1.30 0.05 0.00 0.48 0.00 0.00 55.95 55.23 2r9p s SER 47 Cb 0.07 0.35 0.12 0.00 0.10 0.00 0.00 66.02 66.66 2r9p s SER 47 CO 0.70 -0.80 1.47 0.00 0.98 0.00 0.00 173.24 175.60 2r9p h ALA 48 N 2.72 0.69 -0.09 5.32 0.00 -1.98 -2.00 119.26 123.92 2r9p h ALA 48 Ca -0.35 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 2r9p h ALA 48 Cb 1.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2r9p h ALA 48 CO 0.55 0.85 -0.00 0.93 0.00 0.00 0.00 179.25 181.58 2r9p h GLU 49 N 0.11 0.16 0.20 0.00 3.07 -1.98 0.36 114.58 116.50 2r9p h GLU 49 Ca -0.02 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2r9p h GLU 49 Cb 1.32 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 2r9p h GLU 49 CO 0.11 0.42 -0.16 -0.44 -1.40 0.00 0.00 179.01 177.55 2r9p h ASP 50 N -0.12 -0.40 -0.48 1.42 3.32 -1.98 0.38 116.42 118.55 2r9p h ASP 50 Ca 0.02 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.20 2r9p h ASP 50 Cb 0.35 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 2r9p h ASP 50 CO 0.00 -0.24 -0.11 0.00 -1.72 0.00 0.00 179.24 177.17 2r9p h MET 52 N 0.00 0.64 -0.55 0.00 2.86 0.58 -2.09 114.93 116.36 2r9p h MET 52 Ca 0.23 -0.36 0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2r9p h MET 52 Cb 0.35 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.95 2r9p h MET 52 CO -0.49 0.96 0.03 -0.09 1.06 0.00 0.00 176.91 178.38 2r9p h ARG 53 N 0.51 0.14 0.20 1.72 2.43 0.15 0.23 114.38 119.76 2r9p h ARG 53 Ca 0.03 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.87 2r9p h ARG 53 Cb 1.00 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2r9p h ARG 53 CO 0.09 0.09 -1.50 1.15 -1.51 0.00 0.00 179.97 178.30 2r9p h THR 54 N 0.14 1.24 0.00 0.20 2.02 -1.33 -3.40 112.91 111.79 2r9p h THR 54 Ca 0.28 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2r9p h THR 54 Cb 0.44 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2r9p h THR 54 CO -0.45 0.84 -0.85 0.00 0.37 0.00 0.00 175.52 175.43 2r9p n GLY 56 N 2.03 1.43 2.04 0.00 0.00 0.81 -2.87 105.19 108.63 2r9p n GLY 56 Ca -0.00 0.87 -0.02 0.00 0.00 0.00 0.00 46.02 46.86 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 4.50 -0.84 0.12 -0.02 0.00 -1.26 -4.88 105.19 102.81 2r9p n GLY 57 Ca 0.23 0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.56 2r9p n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32