#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g h GLN 2 N 0.00 0.41 -2.32 -1.24 4.20 -1.98 -3.39 115.11 110.79 1s4g h GLN 2 Ca 0.00 -0.49 -0.58 0.00 0.06 0.00 0.00 58.65 57.63 1s4g h GLN 2 Cb 0.00 0.15 -0.39 0.00 0.30 0.00 0.00 27.48 27.54 1s4g h GLN 2 CO 0.00 1.16 -0.96 -1.91 -0.67 0.00 0.00 178.83 176.45 1s4g n GLU 3 N -3.71 0.56 -0.39 1.46 2.13 -1.26 -5.08 120.64 114.35 1s4g n GLU 3 Ca -0.08 -3.36 0.05 0.00 0.66 0.00 0.00 57.16 54.44 1s4g n GLU 3 Cb 0.89 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.96 1s4g n GLU 3 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1s4g n SER 4 N 2.30 -6.12 -3.99 4.31 7.64 -1.26 -4.13 113.62 112.37 1s4g n SER 4 Ca 0.27 0.42 -0.42 0.00 1.01 0.00 0.00 58.87 60.15 1s4g n SER 4 Cb 0.48 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g n LYS 6 N 6.78 0.52 0.00 0.00 5.02 -1.08 -1.36 118.16 128.04 1s4g n LYS 6 Ca 0.51 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1s4g n LYS 6 Cb 0.41 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s4g n GLY 7 N 1.63 -0.28 0.07 0.72 0.00 -1.26 -3.31 105.19 102.77 1s4g n GLY 7 Ca -0.46 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1s4g n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s4g h ARG 8 N 0.00 0.03 -6.31 1.61 -0.00 -1.95 -3.26 114.38 104.51 1s4g h ARG 8 Ca 0.00 -0.05 -0.54 0.00 -0.50 0.00 0.00 59.98 58.89 1s4g h ARG 8 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1s4g h ARG 8 CO 0.00 1.02 1.16 0.00 0.00 0.00 0.00 179.97 182.15 1s4g n THR 10 N 5.55 0.93 -1.42 0.00 5.66 -1.26 -2.65 114.28 121.09 1s4g n THR 10 Ca 0.19 -0.97 -0.39 0.00 -3.05 0.00 0.00 64.05 59.83 1s4g n THR 10 Cb 0.42 0.55 -0.03 0.00 -1.55 0.00 0.00 70.33 69.73 1s4g n THR 10 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1s4g n GLU 11 N 0.83 3.77 0.00 1.09 1.02 -1.25 -3.28 120.64 122.82 1s4g n GLU 11 Ca 0.15 -2.38 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 1s4g n GLU 11 Cb 0.47 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1s4g n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4g n GLY 12 N 3.38 -0.38 3.24 0.62 0.00 -1.17 -4.69 105.19 106.19 1s4g n GLY 12 Ca 0.75 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.74 1s4g n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s4g s PHE 13 N 0.00 -0.08 0.81 1.61 5.36 -0.46 -5.00 117.98 120.23 1s4g s PHE 13 Ca 0.00 -0.10 -0.13 0.00 -0.96 0.00 0.00 56.93 55.74 1s4g s PHE 13 Cb 0.00 0.08 0.09 0.00 -0.34 0.00 0.00 43.02 42.85 1s4g s PHE 13 CO 0.00 -0.51 1.20 0.54 -1.46 0.00 0.00 175.22 175.00 1s4g s ASN 14 N -2.15 3.53 0.37 6.13 2.20 -1.26 -4.40 114.94 119.37 1s4g s ASN 14 Ca -0.04 2.36 -0.27 0.00 -0.94 0.00 0.00 52.86 53.97 1s4g s ASN 14 Cb -0.00 -2.59 -0.11 0.00 -2.00 0.00 0.00 41.25 36.54 1s4g s ASN 14 CO -0.04 -2.71 1.32 0.52 -2.94 0.00 0.00 177.10 173.25 1s4g n VAL 15 N -3.37 2.15 -1.43 3.54 0.31 -1.25 -4.68 118.33 113.60 1s4g n VAL 15 Ca 0.13 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.62 1s4g n VAL 15 Cb 0.51 -1.64 0.09 0.00 -0.91 0.00 0.00 33.84 31.89 1s4g n VAL 15 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1s4g s ASP 16 N -0.34 4.15 0.20 4.52 -4.77 -1.21 -4.97 116.67 114.26 1s4g s ASP 16 Ca 0.56 2.42 0.00 0.00 -3.30 0.00 0.00 52.55 52.23 1s4g s ASP 16 Cb -0.54 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.70 1s4g s ASP 16 CO 0.61 -2.29 0.00 0.29 0.70 0.00 0.00 175.17 174.48 1s4g n LYS 17 N -2.67 0.00 0.19 2.11 5.02 -1.26 -5.07 118.16 116.48 1s4g n LYS 17 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1s4g n LYS 17 Cb 0.50 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1s4g n LYS 17 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1s4g n LYS 18 N -3.27 0.00 -2.75 1.97 2.85 -1.26 -5.07 118.16 110.62 1s4g n LYS 18 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1s4g n LYS 18 Cb 0.02 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.42 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s4g n GLN 20 N 3.28 0.47 -2.72 0.00 7.27 -1.26 -4.18 117.38 120.24 1s4g n GLN 20 Ca 0.08 0.20 -0.08 0.00 0.07 0.00 0.00 57.00 57.28 1s4g n GLN 20 Cb 0.63 -1.29 0.10 0.00 2.41 0.00 0.00 30.24 32.09 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4g s ASP 22 N -1.46 6.58 0.12 0.00 1.11 -1.26 -4.85 116.67 116.91 1s4g s ASP 22 Ca 0.23 0.69 -0.20 0.00 0.18 0.00 0.00 52.55 53.46 1s4g s ASP 22 Cb 0.38 -2.16 -0.07 0.00 1.07 0.00 0.00 42.92 42.14 1s4g s ASP 22 CO -0.07 0.34 1.76 1.05 1.18 0.00 0.00 175.17 179.44 1s4g h GLU 23 N 5.01 0.26 -0.48 8.23 4.11 -1.92 -1.84 114.58 127.95 1s4g h GLU 23 Ca -0.52 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1s4g h GLU 23 Cb 1.22 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1s4g h GLU 23 CO 0.61 0.18 0.31 1.37 0.07 0.00 0.00 179.01 181.56 1s4g h LEU 24 N 0.25 0.55 0.00 3.06 -0.00 -1.93 -2.39 115.31 114.84 1s4g h LEU 24 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1s4g h LEU 24 Cb -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1s4g h LEU 24 CO -0.01 0.40 -0.98 0.00 -0.00 0.00 0.00 178.44 177.85 1s4g h SER 26 N 0.00 -0.02 -0.48 0.00 0.02 -0.83 -2.35 113.55 109.89 1s4g h SER 26 Ca 0.00 0.06 -0.39 0.00 -0.84 0.00 0.00 61.79 60.62 1s4g h SER 26 Cb 0.92 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.43 1s4g h SER 26 CO 0.00 0.02 0.51 -1.22 -1.14 0.00 0.00 176.83 175.01 1s4g n TYR 27 N -5.11 1.01 0.16 3.45 4.01 -1.06 -1.81 117.16 117.81 1s4g n TYR 27 Ca 0.00 -1.91 0.00 0.00 -0.16 0.00 0.00 57.90 55.83 1s4g n TYR 27 Cb 0.14 -1.62 0.00 0.00 -0.31 0.00 0.00 39.34 37.55 1s4g n TYR 27 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1s4g n TYR 28 N 1.95 -3.28 -2.70 -0.72 9.36 -1.00 -4.98 117.16 115.80 1s4g n TYR 28 Ca 0.50 0.88 -0.04 0.00 3.32 0.00 0.00 57.90 62.56 1s4g n TYR 28 Cb 0.67 2.10 0.10 0.00 -0.63 0.00 0.00 39.34 41.58 1s4g n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s4g n GLN 29 N -3.27 1.33 -3.44 2.98 10.64 -0.92 -5.04 117.38 119.66 1s4g n GLN 29 Ca 0.00 -2.00 -0.18 0.00 -1.83 0.00 0.00 57.00 52.99 1s4g n GLN 29 Cb 0.00 -0.23 0.07 0.00 -0.86 0.00 0.00 30.24 29.22 1s4g n GLN 29 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1s4g n SER 30 N -0.90 -3.31 0.00 2.61 7.64 -0.75 -4.38 113.62 114.53 1s4g n SER 30 Ca -0.06 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1s4g n SER 30 Cb 0.85 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s4g h THR 33 N 0.52 1.21 0.00 0.00 2.02 -1.96 -3.44 112.91 111.26 1s4g h THR 33 Ca 0.02 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1s4g h THR 33 Cb 1.06 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1s4g h THR 33 CO 0.10 0.23 0.00 -0.67 0.37 0.00 0.00 175.52 175.55 1s4g n ASP 34 N -4.53 -0.01 -3.56 4.18 2.03 -0.48 -4.99 116.55 109.19 1s4g n ASP 34 Ca 0.04 0.18 -0.41 0.00 0.52 0.00 0.00 54.79 55.13 1s4g n ASP 34 Cb 0.10 0.13 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 1s4g n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s4g n TYR 35 N -2.90 2.76 -2.49 -0.67 9.36 -0.35 -4.88 117.16 117.99 1s4g n TYR 35 Ca 0.00 -2.91 -0.40 0.00 3.32 0.00 0.00 57.90 57.91 1s4g n TYR 35 Cb 0.00 -2.15 -0.02 0.00 -0.63 0.00 0.00 39.34 36.54 1s4g n TYR 35 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1s4g s THR 36 N 0.74 3.92 0.00 2.97 2.01 -0.81 -4.42 115.64 120.04 1s4g s THR 36 Ca 0.54 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1s4g s THR 36 Cb 0.16 -4.98 0.00 0.00 0.01 0.00 0.00 72.50 67.68 1s4g s THR 36 CO -0.06 -1.83 0.00 0.00 -0.69 0.00 0.00 174.62 172.04 1s4g n ALA 37 N 9.51 0.00 -1.66 7.40 0.00 -1.26 -5.08 120.51 129.42 1s4g n ALA 37 Ca 0.39 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.37 1s4g n ALA 37 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1s4g n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s4g n GLU 38 N 0.00 1.97 -0.23 0.00 -0.58 -1.26 -4.51 120.64 116.02 1s4g n GLU 38 Ca 0.00 0.71 -0.03 0.00 -0.42 0.00 0.00 57.16 57.41 1s4g n GLU 38 Cb 0.00 -2.43 0.07 0.00 -0.57 0.00 0.00 31.44 28.51 1s4g n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s4g n LYS 40 N -4.71 0.62 -1.69 0.00 2.85 -1.26 -4.88 118.16 109.09 1s4g n LYS 40 Ca 0.07 0.26 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 1s4g n LYS 40 Cb 0.10 -2.19 -0.03 0.00 -0.65 0.00 0.00 35.03 32.26 1s4g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1s4g s PRO 41 N -3.14 3.03 0.04 -1.58 0.04 -1.26 -4.63 135.00 127.51 1s4g s PRO 41 Ca 0.74 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1s4g s PRO 41 Cb -0.37 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1s4g s PRO 41 CO 0.49 -2.22 0.00 0.94 0.04 0.00 0.00 177.00 176.25 1s4g n GLN 42 N 8.74 0.00 0.05 4.56 -0.06 -1.26 -4.93 117.38 124.48 1s4g n GLN 42 Ca 0.29 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 55.10 1s4g n GLN 42 Cb 0.47 -0.01 -0.10 0.00 -4.06 0.00 0.00 30.24 26.54 1s4g n GLN 42 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1s4g h VAL 43 N 0.00 1.30 0.00 1.69 2.07 -1.83 -3.33 116.25 116.16 1s4g h VAL 43 Ca 0.00 -2.32 -0.48 0.00 0.82 0.00 0.00 66.70 64.73 1s4g h VAL 43 Cb 0.00 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1s4g h VAL 43 CO 0.00 0.71 2.14 1.07 0.02 0.00 0.00 177.57 181.51 1s4g n THR 44 N -3.82 3.79 -3.78 2.57 5.66 -1.26 -4.80 114.28 112.64 1s4g n THR 44 Ca -0.10 -2.14 -0.13 0.00 -3.05 0.00 0.00 64.05 58.63 1s4g n THR 44 Cb 0.89 -2.37 -0.10 0.00 -1.55 0.00 0.00 70.33 67.20 1s4g n THR 44 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1s4g s ARG 45 N 1.70 0.46 -1.51 1.09 0.52 -1.25 -5.05 118.95 114.90 1s4g s ARG 45 Ca 0.69 0.13 -0.12 0.00 -0.52 0.00 0.00 55.73 55.92 1s4g s ARG 45 Cb 0.24 0.21 -0.00 0.00 0.52 0.00 0.00 34.95 35.91 1s4g s ARG 45 CO -0.04 -0.09 2.52 0.41 0.02 0.00 0.00 175.30 178.12 1s4g n GLY 46 N 2.25 4.41 5.14 -3.53 0.00 -1.26 -4.79 105.19 107.41 1s4g n GLY 46 Ca -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1s4g n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4g n ASP 47 N 4.72 0.00 0.00 1.61 -0.08 -1.26 -4.86 116.55 116.69 1s4g n ASP 47 Ca 0.63 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 1s4g n ASP 47 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1s4g n ASP 47 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1s4g n VAL 48 N 0.00 0.00 -3.37 5.18 0.31 -1.26 -3.76 118.33 115.43 1s4g n VAL 48 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1s4g n VAL 48 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1s4g n VAL 48 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1s4g s PHE 49 N 0.00 -0.22 -0.06 3.52 5.36 -1.26 -5.04 117.98 120.28 1s4g s PHE 49 Ca 0.00 -0.85 -0.02 0.00 -0.96 0.00 0.00 56.93 55.10 1s4g s PHE 49 Cb 0.00 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1s4g s PHE 49 CO 0.00 -0.96 0.08 2.41 -1.46 0.00 0.00 175.22 175.29 1s4g n THR 50 N 4.29 -3.37 -0.60 0.12 -1.04 -1.25 -5.10 114.28 107.34 1s4g n THR 50 Ca 0.10 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1s4g n THR 50 Cb 0.45 -4.48 0.00 0.00 -1.82 0.00 0.00 70.33 64.47 1s4g n THR 50 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66