#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ILE 4 N 0.00 0.00 -4.02 -0.61 5.41 -1.26 -4.88 119.36 114.01 3i22 n ILE 4 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3i22 n ILE 4 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 3i22 n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3i22 s ARG 5 N 0.00 3.54 0.61 0.38 0.52 -1.26 -4.77 118.95 117.96 3i22 s ARG 5 Ca 0.00 -0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 3i22 s ARG 5 Cb 0.00 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 3i22 s ARG 5 CO 0.00 0.59 1.00 -1.21 0.02 0.00 0.00 175.30 175.70 3i22 s GLU 6 N -0.51 3.52 -0.12 3.54 2.02 -1.06 -4.92 118.70 121.17 3i22 s GLU 6 Ca 0.11 0.64 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 3i22 s GLU 6 Cb -0.12 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 3i22 s GLU 6 CO 0.02 -0.56 0.38 0.15 0.02 0.00 0.00 175.26 175.27 3i22 s LYS 7 N -5.13 4.22 0.16 1.61 1.02 -1.26 -3.35 119.74 117.01 3i22 s LYS 7 Ca 0.54 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.88 3i22 s LYS 7 Cb -0.11 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3i22 s LYS 7 CO 0.52 0.28 -0.07 0.42 -0.92 0.00 0.00 175.35 175.59 3i22 s ILE 8 N 0.28 3.39 -0.28 2.17 -1.09 -0.46 -4.98 121.20 120.23 3i22 s ILE 8 Ca 0.21 -1.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.11 3i22 s ILE 8 Cb -0.14 -2.67 0.09 0.00 -1.58 0.00 0.00 42.46 38.17 3i22 s ILE 8 CO 0.08 -0.06 0.10 -1.59 -1.23 0.00 0.00 174.94 172.24 3i22 s LYS 9 N -2.72 0.45 -0.16 2.79 -2.85 -1.26 -0.41 119.74 115.57 3i22 s LYS 9 Ca 0.25 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 54.21 3i22 s LYS 9 Cb -0.09 -1.63 -0.03 0.00 -2.06 0.00 0.00 37.83 34.01 3i22 s LYS 9 CO 0.16 -0.95 1.55 -0.51 0.10 0.00 0.00 175.35 175.70 3i22 s LEU 10 N 1.88 4.09 0.41 2.77 2.01 -1.22 -4.71 118.68 123.91 3i22 s LEU 10 Ca 0.08 1.82 -0.21 0.00 0.01 0.00 0.00 54.13 55.82 3i22 s LEU 10 Cb -0.17 -3.53 -0.11 0.00 0.01 0.00 0.00 46.19 42.39 3i22 s LEU 10 CO -0.28 -1.05 0.94 -0.69 1.01 0.00 0.00 176.35 176.28 3i22 s VAL 11 N 4.46 4.38 0.15 -1.59 1.01 -0.45 -0.34 120.40 128.02 3i22 s VAL 11 Ca 0.68 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 3i22 s VAL 11 Cb -0.27 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3i22 s VAL 11 CO 0.26 -0.24 1.13 -0.55 0.00 0.00 0.00 175.10 175.70 3i22 s SER 12 N -2.10 7.21 0.00 3.32 0.15 -1.25 -2.21 113.70 118.82 3i22 s SER 12 Ca 0.60 2.07 0.27 0.00 0.70 0.00 0.00 55.95 59.59 3i22 s SER 12 Cb -0.10 -2.60 1.28 0.00 -1.71 0.00 0.00 66.02 62.88 3i22 s SER 12 CO 0.15 -0.29 1.91 -1.54 1.20 0.00 0.00 173.24 174.66 3i22 n SER 13 N 2.78 0.00 -4.98 5.45 3.41 -1.26 -4.76 113.62 114.26 3i22 n SER 13 Ca 0.04 0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.65 3i22 n SER 13 Cb 0.46 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 3i22 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i22 s ALA 14 N -2.78 4.48 -0.90 7.33 0.00 -1.26 -4.99 121.76 123.64 3i22 s ALA 14 Ca 0.20 -1.90 0.09 0.00 0.00 0.00 0.00 51.96 50.34 3i22 s ALA 14 Cb 0.18 -1.62 0.39 0.00 0.00 0.00 0.00 23.12 22.07 3i22 s ALA 14 CO 0.46 -0.76 1.27 0.41 0.00 0.00 0.00 175.76 177.13 3i22 n GLY 15 N -2.21 -0.76 3.72 0.00 0.00 -1.26 -4.80 105.19 99.87 3i22 n GLY 15 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i22 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i22 s THR 16 N -3.07 2.27 0.40 2.61 -4.23 -1.26 -4.90 115.64 107.46 3i22 s THR 16 Ca 0.03 0.19 0.17 0.00 -1.18 0.00 0.00 61.69 60.90 3i22 s THR 16 Cb 0.05 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.93 3i22 s THR 16 CO 0.14 0.02 1.94 1.23 -0.54 0.00 0.00 174.62 177.40 3i22 h GLY 17 N 6.77 0.00 -3.37 3.99 0.00 -1.96 -3.42 103.07 105.08 3i22 h GLY 17 Ca -0.43 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.32 3i22 h GLY 17 CO 0.94 0.00 -0.15 1.57 0.00 0.00 0.00 176.54 178.90 3i22 n HIS 18 N -4.06 0.13 -3.80 5.60 -0.00 -1.26 -4.90 115.22 106.93 3i22 n HIS 18 Ca -0.02 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 3i22 n HIS 18 Cb 0.31 -2.07 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 3i22 n HIS 18 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i22 n PHE 19 N -1.22 0.00 -4.37 1.57 -1.74 -1.26 -3.87 117.46 106.57 3i22 n PHE 19 Ca 0.11 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.82 3i22 n PHE 19 Cb 0.44 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.39 3i22 n PHE 19 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 3i22 n TYR 20 N 0.00 0.15 -3.64 2.97 9.36 0.54 -4.94 117.16 121.60 3i22 n TYR 20 Ca 0.00 -1.85 -0.03 0.00 3.32 0.00 0.00 57.90 59.34 3i22 n TYR 20 Cb 0.00 -0.02 -0.05 0.00 -0.63 0.00 0.00 39.34 38.64 3i22 n TYR 20 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3i22 s THR 21 N -2.61 -0.63 0.13 2.97 -1.32 -1.26 -3.37 115.64 109.56 3i22 s THR 21 Ca 0.14 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 3i22 s THR 21 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 3i22 s THR 21 CO 0.10 0.00 0.23 1.07 -2.21 0.00 0.00 174.62 173.80 3i22 n THR 22 N 5.02 0.00 -4.04 5.08 5.66 0.45 -4.97 114.28 121.49 3i22 n THR 22 Ca -0.15 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.02 3i22 n THR 22 Cb 0.53 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 3i22 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i22 s THR 23 N -2.63 4.97 0.00 1.09 -4.23 -1.26 -1.36 115.64 112.23 3i22 s THR 23 Ca 0.08 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3i22 s THR 23 Cb -0.01 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3i22 s THR 23 CO 0.06 0.37 0.00 1.17 -0.54 0.00 0.00 174.62 175.67 3i22 n LYS 24 N 1.19 0.00 -3.43 3.99 4.81 -1.21 -4.91 118.16 118.59 3i22 n LYS 24 Ca -0.13 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.94 3i22 n LYS 24 Cb 0.53 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.51 3i22 n LYS 24 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3i22 s ASN 25 N 0.00 6.62 0.02 3.14 3.84 -1.26 -2.57 114.94 124.73 3i22 s ASN 25 Ca 0.00 0.73 -0.08 0.00 0.21 0.00 0.00 52.86 53.72 3i22 s ASN 25 Cb 0.00 -2.24 -0.04 0.00 -0.55 0.00 0.00 41.25 38.42 3i22 s ASN 25 CO 0.00 0.09 1.12 0.50 -2.79 0.00 0.00 177.10 176.02 3i22 h LYS 26 N 6.35 -0.20 -0.83 0.43 1.63 -1.86 -2.13 116.57 119.96 3i22 h LYS 26 Ca -0.43 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.51 3i22 h LYS 26 Cb 1.18 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.80 3i22 h LYS 26 CO 0.73 -0.14 0.54 0.00 -3.45 0.00 0.00 179.45 177.14 3i22 h ARG 27 N -0.21 0.64 -0.61 1.90 3.08 -1.95 -0.94 114.38 116.28 3i22 h ARG 27 Ca -0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i22 h ARG 27 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3i22 h ARG 27 CO -0.02 0.42 0.29 1.79 -1.07 0.00 0.00 179.97 181.38 3i22 h THR 28 N 0.66 1.22 -2.01 2.04 1.35 -1.95 -3.41 112.91 110.80 3i22 h THR 28 Ca 0.41 -0.62 -0.21 0.00 -0.55 0.00 0.00 66.41 65.44 3i22 h THR 28 Cb 0.65 0.49 -0.31 0.00 -1.73 0.00 0.00 68.15 67.24 3i22 h THR 28 CO -0.17 0.25 -0.54 -0.54 -0.25 0.00 0.00 175.52 174.28 3i22 s LYS 29 N -5.69 0.33 -0.01 4.72 -0.14 -0.38 -5.06 119.74 113.51 3i22 s LYS 29 Ca -0.13 0.31 -0.21 0.00 -1.36 0.00 0.00 55.97 54.58 3i22 s LYS 29 Cb 0.13 -0.60 -0.24 0.00 -1.68 0.00 0.00 37.83 35.44 3i22 s LYS 29 CO 0.79 -0.76 1.07 -1.35 -0.76 0.00 0.00 175.35 174.33 3i22 h PRO 30 N 8.21 0.33 -6.97 -1.68 0.11 -1.76 -3.41 132.00 126.83 3i22 h PRO 30 Ca -0.16 -0.36 -0.54 0.00 0.11 0.00 0.00 66.00 65.05 3i22 h PRO 30 Cb 1.14 0.10 0.10 0.00 0.11 0.00 0.00 31.00 32.45 3i22 h PRO 30 CO 0.28 1.05 0.67 -1.83 -0.21 0.00 0.00 178.00 177.96 3i22 s GLU 31 N -3.17 3.83 0.84 1.05 1.03 -1.26 -4.96 118.70 116.06 3i22 s GLU 31 Ca -0.14 2.32 -0.11 0.00 0.03 0.00 0.00 54.97 57.07 3i22 s GLU 31 Cb 0.03 -2.72 0.10 0.00 -0.80 0.00 0.00 34.13 30.74 3i22 s GLU 31 CO 0.80 -0.67 1.14 0.15 -1.33 0.00 0.00 175.26 175.35 3i22 s LYS 32 N -2.34 1.54 -0.32 -4.83 1.02 -1.26 -4.99 119.74 108.56 3i22 s LYS 32 Ca 0.59 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.99 3i22 s LYS 32 Cb -0.42 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3i22 s LYS 32 CO 0.54 -2.23 0.08 -0.51 -0.92 0.00 0.00 175.35 172.31 3i22 s LEU 33 N -6.18 4.08 -0.04 3.17 1.02 -1.26 -4.90 118.68 114.58 3i22 s LEU 33 Ca 0.66 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.84 3i22 s LEU 33 Cb -0.22 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 3i22 s LEU 33 CO 0.55 -0.27 -0.08 -1.61 0.02 0.00 0.00 176.35 174.97 3i22 s GLU 34 N 1.42 2.64 0.00 1.70 8.01 -1.26 -3.63 118.70 127.58 3i22 s GLU 34 Ca -0.00 -0.63 0.00 0.00 0.01 0.00 0.00 54.97 54.34 3i22 s GLU 34 Cb -0.19 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.10 3i22 s GLU 34 CO 0.02 0.64 0.38 1.47 0.01 0.00 0.00 175.26 177.78 3i22 n LEU 35 N 1.97 -0.30 -2.54 1.80 -0.00 -1.11 -5.04 117.00 111.78 3i22 n LEU 35 Ca -0.17 -0.76 -0.03 0.00 -0.00 0.00 0.00 56.01 55.05 3i22 n LEU 35 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 3i22 n LEU 35 CO 0.28 0.88 -0.47 0.29 -0.00 0.00 0.00 177.39 178.38 3i22 n LYS 36 N 0.00 -3.94 -4.47 1.47 5.02 -1.25 -4.91 118.16 110.09 3i22 n LYS 36 Ca -0.08 2.95 -0.24 0.00 -2.02 0.00 0.00 58.31 58.92 3i22 n LYS 36 Cb 0.38 -3.97 -0.17 0.00 -0.02 0.00 0.00 35.03 31.26 3i22 n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i22 s LYS 37 N -0.49 1.50 1.07 1.97 -0.14 -0.86 -4.81 119.74 117.98 3i22 s LYS 37 Ca -0.14 -0.34 -0.15 0.00 -1.36 0.00 0.00 55.97 53.98 3i22 s LYS 37 Cb 0.01 -1.28 0.12 0.00 -1.68 0.00 0.00 37.83 35.00 3i22 s LYS 37 CO 0.37 -0.01 0.39 0.34 -0.76 0.00 0.00 175.35 175.68 3i22 n PHE 38 N 3.90 -1.22 -3.57 3.18 7.35 -1.26 -3.85 117.46 121.98 3i22 n PHE 38 Ca -0.23 0.13 -0.17 0.00 -0.76 0.00 0.00 57.45 56.42 3i22 n PHE 38 Cb 0.51 -1.68 -0.06 0.00 0.35 0.00 0.00 39.48 38.60 3i22 n PHE 38 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 3i22 s ASP 39 N -2.05 -0.56 0.39 -2.13 -4.77 -1.26 -4.88 116.67 101.40 3i22 s ASP 39 Ca 0.59 0.58 0.28 0.00 -3.30 0.00 0.00 52.55 50.70 3i22 s ASP 39 Cb -0.18 0.49 1.00 0.00 -1.09 0.00 0.00 42.92 43.15 3i22 s ASP 39 CO 0.66 -0.58 1.81 -0.65 0.70 0.00 0.00 175.17 177.10 3i22 h PRO 40 N 3.16 0.00 0.00 2.11 0.11 -1.97 -2.13 132.00 133.27 3i22 h PRO 40 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i22 h PRO 40 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i22 h PRO 40 CO 0.39 0.00 -1.44 0.28 -0.21 0.00 0.00 178.00 177.03 3i22 n VAL 41 N -2.68 0.18 0.24 3.15 0.31 -1.26 -4.13 118.33 114.13 3i22 n VAL 41 Ca 0.02 -0.39 0.05 0.00 -0.01 0.00 0.00 64.34 64.01 3i22 n VAL 41 Cb 0.33 0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 33.27 3i22 n VAL 41 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i22 n VAL 42 N -2.20 0.00 -0.98 2.52 0.31 -1.23 -4.98 118.33 111.77 3i22 n VAL 42 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3i22 n VAL 42 Cb 0.51 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 3i22 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i22 n ARG 43 N -1.57 -1.88 -4.19 5.55 1.74 -0.80 -4.91 116.66 110.60 3i22 n ARG 43 Ca -0.00 0.47 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 3i22 n ARG 43 Cb 0.22 -4.94 -0.12 0.00 -1.02 0.00 0.00 32.46 26.60 3i22 n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i22 s GLN 44 N -1.92 0.72 -0.57 5.56 -0.44 -1.26 -4.97 119.66 116.77 3i22 s GLN 44 Ca 0.00 -0.74 -0.26 0.00 -2.50 0.00 0.00 55.36 51.86 3i22 s GLN 44 Cb 0.00 -0.65 -0.05 0.00 -1.64 0.00 0.00 33.01 30.68 3i22 s GLN 44 CO 0.00 0.15 2.13 -1.01 0.50 0.00 0.00 175.29 177.06 3i22 s HIS 45 N -1.04 1.38 0.49 1.67 3.76 -1.26 -4.06 115.29 116.22 3i22 s HIS 45 Ca -0.03 1.18 0.02 0.00 -0.15 0.00 0.00 55.06 56.08 3i22 s HIS 45 Cb -0.08 -3.83 0.01 0.00 1.11 0.00 0.00 32.58 29.78 3i22 s HIS 45 CO 0.01 -2.37 0.70 0.54 -0.85 0.00 0.00 174.74 172.77 3i22 s VAL 46 N 10.73 3.33 -0.90 -0.90 0.11 -1.25 -4.95 120.40 126.57 3i22 s VAL 46 Ca 0.82 -0.64 -0.15 0.00 -2.93 0.00 0.00 61.98 59.07 3i22 s VAL 46 Cb -0.14 -3.22 0.19 0.00 -1.53 0.00 0.00 36.38 31.67 3i22 s VAL 46 CO 0.22 -0.15 0.94 -0.63 -3.33 0.00 0.00 175.10 172.16 3i22 s ILE 47 N -2.61 5.31 0.24 7.04 1.09 -1.26 -2.02 121.20 128.98 3i22 s ILE 47 Ca 0.53 -2.23 -0.30 0.00 -1.10 0.00 0.00 60.65 57.54 3i22 s ILE 47 Cb -0.10 -4.61 -0.10 0.00 -1.06 0.00 0.00 42.46 36.60 3i22 s ILE 47 CO 0.37 -1.23 1.39 -0.31 -0.10 0.00 0.00 174.94 175.06 3i22 s TYR 48 N 1.00 3.10 0.15 3.97 2.02 -1.26 -4.04 117.35 122.29 3i22 s TYR 48 Ca 0.25 1.11 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 3i22 s TYR 48 Cb -0.08 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.73 3i22 s TYR 48 CO -0.09 -2.38 0.12 0.36 -1.57 0.00 0.00 175.55 171.99 3i22 n LYS 49 N 2.36 0.26 -0.88 -0.62 2.85 -0.94 -2.74 118.16 118.45 3i22 n LYS 49 Ca 0.06 -1.47 0.00 0.00 -1.05 0.00 0.00 58.31 55.85 3i22 n LYS 49 Cb 0.41 1.15 0.00 0.00 -0.65 0.00 0.00 35.03 35.94 3i22 n LYS 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3i22 n GLU 50 N -0.30 -2.05 -2.69 -1.58 0.00 -1.24 -1.34 120.64 111.45 3i22 n GLU 50 Ca 0.03 1.60 -0.07 0.00 0.00 0.00 0.00 57.16 58.71 3i22 n GLU 50 Cb 0.27 -1.60 0.10 0.00 0.00 0.00 0.00 31.44 30.21 3i22 n GLU 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n ALA 51 N 0.25 1.64 0.00 4.31 0.00 -1.26 -3.99 120.51 121.46 3i22 n ALA 51 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3i22 n ALA 51 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i22 n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13