#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ILE 4 N 0.00 0.00 -3.82 -0.61 5.41 -1.26 -4.90 119.36 114.18 3i1p n ILE 4 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3i1p n ILE 4 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3i1p n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3i1p s ARG 5 N 0.00 3.52 0.45 0.38 0.52 -1.26 -4.79 118.95 117.77 3i1p s ARG 5 Ca 0.00 -0.05 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 3i1p s ARG 5 Cb 0.00 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 3i1p s ARG 5 CO 0.00 0.76 0.82 -1.21 0.02 0.00 0.00 175.30 175.69 3i1p s GLU 6 N -1.10 3.73 0.01 3.54 2.02 -1.05 -4.93 118.70 120.91 3i1p s GLU 6 Ca 0.17 0.49 -0.21 0.00 0.02 0.00 0.00 54.97 55.44 3i1p s GLU 6 Cb -0.13 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 3i1p s GLU 6 CO 0.06 -0.15 0.63 0.15 0.02 0.00 0.00 175.26 175.98 3i1p s LYS 7 N -4.19 4.36 0.13 1.61 1.02 -1.26 -3.30 119.74 118.10 3i1p s LYS 7 Ca 0.52 0.81 0.09 0.00 0.02 0.00 0.00 55.97 57.40 3i1p s LYS 7 Cb -0.10 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3i1p s LYS 7 CO 0.36 0.34 -0.16 0.42 -0.92 0.00 0.00 175.35 175.40 3i1p s ILE 8 N -0.14 2.93 -0.32 2.17 -1.09 -0.62 -4.98 121.20 119.15 3i1p s ILE 8 Ca 0.33 -1.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.20 3i1p s ILE 8 Cb -0.19 -2.37 0.11 0.00 -1.58 0.00 0.00 42.46 38.44 3i1p s ILE 8 CO 0.18 0.06 0.14 -1.59 -1.23 0.00 0.00 174.94 172.50 3i1p s LYS 9 N -2.28 0.58 -0.18 2.79 -2.85 -1.26 -0.38 119.74 116.16 3i1p s LYS 9 Ca 0.19 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.85 3i1p s LYS 9 Cb -0.10 -1.67 -0.04 0.00 -2.06 0.00 0.00 37.83 33.95 3i1p s LYS 9 CO 0.11 -1.04 1.81 -0.51 0.10 0.00 0.00 175.35 175.82 3i1p s LEU 10 N 1.58 3.88 0.40 2.77 2.01 -1.22 -4.68 118.68 123.42 3i1p s LEU 10 Ca 0.11 1.85 -0.22 0.00 0.01 0.00 0.00 54.13 55.88 3i1p s LEU 10 Cb -0.18 -3.53 -0.11 0.00 0.01 0.00 0.00 46.19 42.38 3i1p s LEU 10 CO -0.23 -1.39 0.95 -0.69 1.01 0.00 0.00 176.35 176.00 3i1p s VAL 11 N 5.80 4.32 0.17 -1.59 1.01 -0.31 -0.39 120.40 129.41 3i1p s VAL 11 Ca 0.81 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 64.05 3i1p s VAL 11 Cb -0.30 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3i1p s VAL 11 CO 0.33 -0.19 1.13 -0.55 0.00 0.00 0.00 175.10 175.81 3i1p s SER 12 N -2.02 7.22 0.00 3.32 0.15 -1.25 -1.98 113.70 119.14 3i1p s SER 12 Ca 0.59 2.12 0.30 0.00 0.70 0.00 0.00 55.95 59.66 3i1p s SER 12 Cb -0.12 -2.60 1.48 0.00 -1.71 0.00 0.00 66.02 63.06 3i1p s SER 12 CO 0.16 -0.27 2.03 -1.54 1.20 0.00 0.00 173.24 174.83 3i1p n SER 13 N 2.47 0.00 -5.02 5.45 3.41 -1.25 -4.77 113.62 113.91 3i1p n SER 13 Ca 0.03 -0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.42 3i1p n SER 13 Cb 0.46 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3i1p n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1p s ALA 14 N -2.64 4.59 -0.95 7.33 0.00 -1.26 -4.98 121.76 123.85 3i1p s ALA 14 Ca 0.26 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.41 3i1p s ALA 14 Cb 0.20 -1.57 0.10 0.00 0.00 0.00 0.00 23.12 21.84 3i1p s ALA 14 CO 0.47 -0.47 1.06 0.41 0.00 0.00 0.00 175.76 177.22 3i1p n GLY 15 N -1.98 -0.54 3.72 0.00 0.00 -1.26 -4.77 105.19 100.35 3i1p n GLY 15 Ca 0.11 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3i1p n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i1p s THR 16 N -3.03 2.62 0.35 2.61 -4.23 -1.26 -4.91 115.64 107.78 3i1p s THR 16 Ca 0.00 0.43 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 3i1p s THR 16 Cb 0.01 -3.27 0.14 0.00 1.34 0.00 0.00 72.50 70.71 3i1p s THR 16 CO 0.02 0.03 1.86 1.23 -0.54 0.00 0.00 174.62 177.22 3i1p h GLY 17 N 6.91 0.40 -3.86 3.99 0.00 -1.96 -3.41 103.07 105.14 3i1p h GLY 17 Ca -0.43 -0.26 -0.60 0.00 0.00 0.00 0.00 47.33 46.04 3i1p h GLY 17 CO 0.92 0.24 -0.30 1.57 0.00 0.00 0.00 176.54 178.97 3i1p n HIS 18 N -4.23 -0.22 -3.93 5.60 -0.00 -1.26 -4.86 115.22 106.32 3i1p n HIS 18 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 3i1p n HIS 18 Cb 0.30 -2.03 0.00 0.00 -0.00 0.00 0.00 29.99 28.26 3i1p n HIS 18 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i1p n PHE 19 N -0.86 0.00 -4.41 1.57 -1.74 -1.26 -3.82 117.46 106.93 3i1p n PHE 19 Ca 0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.80 3i1p n PHE 19 Cb 0.40 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.34 3i1p n PHE 19 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 3i1p n TYR 20 N 0.00 0.23 -3.63 2.97 9.36 0.48 -4.94 117.16 121.62 3i1p n TYR 20 Ca 0.00 -2.00 -0.04 0.00 3.32 0.00 0.00 57.90 59.18 3i1p n TYR 20 Cb 0.00 -0.04 -0.06 0.00 -0.63 0.00 0.00 39.34 38.61 3i1p n TYR 20 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3i1p s THR 21 N -2.67 -0.40 0.03 2.97 -1.32 -1.26 -3.40 115.64 109.59 3i1p s THR 21 Ca 0.13 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 3i1p s THR 21 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 3i1p s THR 21 CO 0.09 0.00 0.05 1.07 -2.21 0.00 0.00 174.62 173.63 3i1p n THR 22 N 4.73 0.00 -4.08 5.08 5.66 0.49 -4.97 114.28 121.19 3i1p n THR 22 Ca -0.16 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.42 3i1p n THR 22 Cb 0.55 0.07 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 3i1p n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i1p s THR 23 N -2.87 4.93 -0.30 1.09 -4.23 -1.26 -1.58 115.64 111.42 3i1p s THR 23 Ca 0.01 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 3i1p s THR 23 Cb -0.00 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.85 3i1p s THR 23 CO 0.01 0.47 1.30 -0.75 -0.54 0.00 0.00 174.62 175.11 3i1p s LYS 24 N -1.41 0.01 -0.09 3.99 2.20 -1.21 -4.92 119.74 118.32 3i1p s LYS 24 Ca 0.20 0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.66 3i1p s LYS 24 Cb -0.12 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.16 3i1p s LYS 24 CO 0.10 -0.00 0.44 1.21 -0.36 0.00 0.00 175.35 176.73 3i1p s ASN 25 N 1.45 6.70 0.03 1.43 3.84 -1.26 -2.53 114.94 124.61 3i1p s ASN 25 Ca -0.04 0.83 -0.13 0.00 0.21 0.00 0.00 52.86 53.72 3i1p s ASN 25 Cb -0.01 -2.27 -0.07 0.00 -0.55 0.00 0.00 41.25 38.36 3i1p s ASN 25 CO -0.12 0.11 1.21 0.50 -2.79 0.00 0.00 177.10 176.00 3i1p h LYS 26 N 6.12 -0.38 -1.01 0.43 1.63 -1.87 -2.34 116.57 119.15 3i1p h LYS 26 Ca -0.44 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.48 3i1p h LYS 26 Cb 1.19 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.83 3i1p h LYS 26 CO 0.72 -0.25 0.64 0.00 -3.45 0.00 0.00 179.45 177.10 3i1p h ARG 27 N -0.39 1.05 -0.54 1.90 3.08 -1.95 -1.85 114.38 115.67 3i1p h ARG 27 Ca -0.03 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3i1p h ARG 27 Cb 0.34 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3i1p h ARG 27 CO -0.01 0.69 0.30 1.79 -1.07 0.00 0.00 179.97 181.67 3i1p h THR 28 N 1.08 1.00 -2.04 2.04 1.35 -1.97 -3.40 112.91 110.97 3i1p h THR 28 Ca 0.47 -0.20 -0.23 0.00 -0.55 0.00 0.00 66.41 65.90 3i1p h THR 28 Cb 0.35 0.37 -0.31 0.00 -1.73 0.00 0.00 68.15 66.82 3i1p h THR 28 CO -0.23 0.11 -0.55 -0.54 -0.25 0.00 0.00 175.52 174.06 3i1p s LYS 29 N -6.13 0.32 -0.02 4.72 -0.14 -0.72 -5.06 119.74 112.71 3i1p s LYS 29 Ca -0.13 0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.52 3i1p s LYS 29 Cb 0.14 -0.64 -0.21 0.00 -1.68 0.00 0.00 37.83 35.44 3i1p s LYS 29 CO 0.74 -0.79 1.13 -1.35 -0.76 0.00 0.00 175.35 174.32 3i1p h PRO 30 N 8.22 0.25 -6.83 -1.68 0.11 -1.73 -3.41 132.00 126.93 3i1p h PRO 30 Ca -0.16 -0.22 -0.53 0.00 0.11 0.00 0.00 66.00 65.20 3i1p h PRO 30 Cb 1.13 0.05 0.09 0.00 0.11 0.00 0.00 31.00 32.38 3i1p h PRO 30 CO 0.29 0.89 0.85 -1.83 -0.21 0.00 0.00 178.00 177.98 3i1p s GLU 31 N -3.48 4.13 0.89 1.05 1.03 -1.26 -4.96 118.70 116.10 3i1p s GLU 31 Ca -0.15 2.56 -0.12 0.00 0.03 0.00 0.00 54.97 57.29 3i1p s GLU 31 Cb 0.02 -3.02 0.11 0.00 -0.80 0.00 0.00 34.13 30.44 3i1p s GLU 31 CO 0.75 -0.59 1.03 1.63 -1.33 0.00 0.00 175.26 176.75 3i1p n LYS 32 N 1.77 -0.23 -3.80 -4.83 5.02 -1.26 -4.99 118.16 109.84 3i1p n LYS 32 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 3i1p n LYS 32 Cb 0.38 -2.30 -0.13 0.00 -0.02 0.00 0.00 35.03 32.96 3i1p n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i1p s LEU 33 N -5.28 3.97 -0.05 -0.35 1.02 -1.26 -4.90 118.68 111.83 3i1p s LEU 33 Ca 0.67 -0.98 -0.00 0.00 0.02 0.00 0.00 54.13 53.84 3i1p s LEU 33 Cb -0.25 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 3i1p s LEU 33 CO 0.57 -0.25 -0.00 -1.61 0.02 0.00 0.00 176.35 175.08 3i1p s GLU 34 N 1.41 2.89 0.00 1.70 8.01 -1.26 -3.74 118.70 127.70 3i1p s GLU 34 Ca -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 54.97 54.48 3i1p s GLU 34 Cb -0.18 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 3i1p s GLU 34 CO 0.01 0.67 0.43 1.47 0.01 0.00 0.00 175.26 177.85 3i1p n LEU 35 N 1.85 -0.36 -2.59 1.80 -0.00 -1.15 -5.05 117.00 111.50 3i1p n LEU 35 Ca -0.17 -0.86 -0.03 0.00 -0.00 0.00 0.00 56.01 54.95 3i1p n LEU 35 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 3i1p n LEU 35 CO 0.30 0.93 -0.44 0.29 -0.00 0.00 0.00 177.39 178.48 3i1p n LYS 36 N 0.00 -3.66 -4.26 1.47 5.02 -1.26 -4.91 118.16 110.56 3i1p n LYS 36 Ca -0.10 2.77 -0.24 0.00 -2.02 0.00 0.00 58.31 58.72 3i1p n LYS 36 Cb 0.41 -3.71 -0.17 0.00 -0.02 0.00 0.00 35.03 31.54 3i1p n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1p s LYS 37 N -0.45 1.42 1.07 1.97 -0.14 -0.86 -4.83 119.74 117.93 3i1p s LYS 37 Ca -0.14 -0.28 -0.19 0.00 -1.36 0.00 0.00 55.97 54.00 3i1p s LYS 37 Cb 0.01 -1.32 0.05 0.00 -1.68 0.00 0.00 37.83 34.89 3i1p s LYS 37 CO 0.39 -0.10 -0.11 0.34 -0.76 0.00 0.00 175.35 175.11 3i1p n PHE 38 N 4.25 -1.54 -3.51 3.18 7.35 -1.26 -3.95 117.46 121.98 3i1p n PHE 38 Ca -0.20 0.20 -0.15 0.00 -0.76 0.00 0.00 57.45 56.55 3i1p n PHE 38 Cb 0.51 -1.58 -0.05 0.00 0.35 0.00 0.00 39.48 38.72 3i1p n PHE 38 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 3i1p s ASP 39 N -1.76 -0.56 0.47 -2.13 -4.77 -1.26 -4.86 116.67 101.81 3i1p s ASP 39 Ca 0.54 0.32 0.26 0.00 -3.30 0.00 0.00 52.55 50.36 3i1p s ASP 39 Cb -0.11 0.54 0.66 0.00 -1.09 0.00 0.00 42.92 42.91 3i1p s ASP 39 CO 0.67 -0.75 1.72 -0.65 0.70 0.00 0.00 175.17 176.86 3i1p h PRO 40 N 2.63 0.00 0.00 2.11 0.11 -1.97 -2.52 132.00 132.36 3i1p h PRO 40 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i1p h PRO 40 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i1p h PRO 40 CO 0.39 0.01 -1.25 0.28 -0.21 0.00 0.00 178.00 177.23 3i1p n VAL 41 N -3.10 0.25 0.16 3.15 0.31 -1.26 -4.07 118.33 113.76 3i1p n VAL 41 Ca 0.03 -0.38 0.05 0.00 -0.01 0.00 0.00 64.34 64.03 3i1p n VAL 41 Cb 0.46 0.02 -0.08 0.00 -0.91 0.00 0.00 33.84 33.34 3i1p n VAL 41 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i1p n VAL 42 N -2.22 0.00 -1.09 2.52 0.31 -1.25 -5.00 118.33 111.60 3i1p n VAL 42 Ca 0.00 -0.25 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 3i1p n VAL 42 Cb 0.50 0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 33.91 3i1p n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1p n ARG 43 N -1.67 -1.63 -4.08 5.55 1.74 -0.95 -4.93 116.66 110.69 3i1p n ARG 43 Ca -0.01 0.55 -0.13 0.00 -0.77 0.00 0.00 57.85 57.49 3i1p n ARG 43 Cb 0.24 -4.82 -0.11 0.00 -1.02 0.00 0.00 32.46 26.75 3i1p n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i1p s GLN 44 N -2.02 0.57 -0.60 5.56 -0.44 -1.26 -4.97 119.66 116.51 3i1p s GLN 44 Ca 0.00 -0.82 -0.26 0.00 -2.50 0.00 0.00 55.36 51.78 3i1p s GLN 44 Cb 0.00 -0.33 -0.04 0.00 -1.64 0.00 0.00 33.01 31.01 3i1p s GLN 44 CO 0.00 0.05 2.01 -1.01 0.50 0.00 0.00 175.29 176.84 3i1p s HIS 45 N -1.54 1.52 0.54 1.67 3.76 -1.26 -4.00 115.29 115.97 3i1p s HIS 45 Ca -0.08 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 3i1p s HIS 45 Cb -0.09 -3.95 0.03 0.00 1.11 0.00 0.00 32.58 29.67 3i1p s HIS 45 CO 0.00 -2.32 0.77 0.54 -0.85 0.00 0.00 174.74 172.89 3i1p s VAL 46 N 9.99 2.97 -0.87 -0.90 0.11 -1.25 -4.95 120.40 125.50 3i1p s VAL 46 Ca 0.75 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 59.07 3i1p s VAL 46 Cb -0.13 -3.12 0.19 0.00 -1.53 0.00 0.00 36.38 31.78 3i1p s VAL 46 CO 0.21 -0.09 0.90 -0.63 -3.33 0.00 0.00 175.10 172.16 3i1p s ILE 47 N -2.76 5.33 0.16 7.04 1.09 -1.26 -2.03 121.20 128.77 3i1p s ILE 47 Ca 0.55 -2.21 -0.31 0.00 -1.10 0.00 0.00 60.65 57.59 3i1p s ILE 47 Cb -0.10 -4.58 -0.09 0.00 -1.06 0.00 0.00 42.46 36.63 3i1p s ILE 47 CO 0.39 -1.20 1.37 -0.31 -0.10 0.00 0.00 174.94 175.10 3i1p s TYR 48 N 0.96 3.22 0.11 3.97 2.02 -1.26 -3.94 117.35 122.42 3i1p s TYR 48 Ca 0.23 1.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.99 3i1p s TYR 48 Cb -0.08 -3.68 -0.01 0.00 -0.40 0.00 0.00 41.96 37.79 3i1p s TYR 48 CO -0.09 -2.28 0.07 0.36 -1.57 0.00 0.00 175.55 172.03 3i1p n LYS 49 N 3.32 0.42 -1.08 -0.62 2.85 -0.84 -2.92 118.16 119.29 3i1p n LYS 49 Ca 0.09 -0.99 0.00 0.00 -1.05 0.00 0.00 58.31 56.37 3i1p n LYS 49 Cb 0.42 0.69 0.00 0.00 -0.65 0.00 0.00 35.03 35.49 3i1p n LYS 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3i1p n GLU 50 N -0.22 -2.80 -2.74 -1.58 0.00 -1.25 -1.16 120.64 110.89 3i1p n GLU 50 Ca 0.01 2.08 -0.09 0.00 0.00 0.00 0.00 57.16 59.16 3i1p n GLU 50 Cb 0.18 -2.19 0.09 0.00 0.00 0.00 0.00 31.44 29.52 3i1p n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p n ALA 51 N 0.33 0.61 -0.25 4.31 0.00 -1.26 -3.92 120.51 120.33 3i1p n ALA 51 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3i1p n ALA 51 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3i1p n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13