#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 0.06 0.89 -1.24 4.20 -1.90 -3.24 115.11 113.88 1s4g h GLN 2 Ca 0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1s4g h GLN 2 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1s4g h GLN 2 CO 0.00 0.52 -0.48 1.05 -0.67 0.00 0.00 178.83 179.25 1s4g h GLU 3 N -0.39 -1.21 -3.52 1.46 -0.00 -1.98 -3.47 114.58 105.47 1s4g h GLU 3 Ca 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 59.36 59.38 1s4g h GLU 3 Cb 0.51 0.28 -0.14 0.00 -0.00 0.00 0.00 28.75 29.39 1s4g h GLU 3 CO 0.01 -0.81 -0.20 -1.12 -0.00 0.00 0.00 179.01 176.89 1s4g s SER 4 N -4.10 -0.10 -1.17 3.06 0.01 -1.22 -5.08 113.70 105.10 1s4g s SER 4 Ca -0.19 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.45 1s4g s SER 4 Cb 0.03 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1s4g s SER 4 CO 0.60 -0.78 1.91 0.00 0.41 0.00 0.00 173.24 175.38 1s4g s LYS 6 N 5.14 1.20 5.19 0.00 -2.85 -1.24 -2.28 119.74 124.91 1s4g s LYS 6 Ca 0.60 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 1s4g s LYS 6 Cb 0.05 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1s4g s LYS 6 CO 0.09 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1s4g n GLY 7 N -0.28 1.66 0.19 0.59 0.00 -1.26 -1.43 105.19 104.67 1s4g n GLY 7 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.60 -6.13 1.61 3.08 -1.80 -3.37 114.38 108.37 1s4g h ARG 8 Ca 0.00 -0.14 -0.58 0.00 0.07 0.00 0.00 59.98 59.32 1s4g h ARG 8 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1s4g h ARG 8 CO 0.00 0.63 1.39 0.00 -1.07 0.00 0.00 179.97 180.92 1s4g h THR 10 N 6.98 1.34 -0.13 0.00 2.02 -1.85 -3.28 112.91 117.98 1s4g h THR 10 Ca -0.37 -2.11 0.05 0.00 0.77 0.00 0.00 66.41 64.74 1s4g h THR 10 Cb 1.20 2.10 -0.05 0.00 -1.74 0.00 0.00 68.15 69.66 1s4g h THR 10 CO 0.99 0.65 -0.20 -0.33 0.37 0.00 0.00 175.52 177.00 1s4g h GLU 11 N 0.38 -0.24 -0.88 6.66 3.07 -1.89 -2.71 114.58 118.97 1s4g h GLU 11 Ca -0.05 0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 1s4g h GLU 11 Cb 1.38 0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 29.25 1s4g h GLU 11 CO 0.15 -0.16 0.21 0.41 -1.40 0.00 0.00 179.01 178.21 1s4g n GLY 12 N -1.34 2.98 0.00 -3.84 0.00 -0.96 -4.88 105.19 97.15 1s4g n GLY 12 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1s4g n GLY 12 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1s4g n PHE 13 N -0.08 -0.64 -4.01 1.61 -1.74 -1.02 -4.63 117.46 106.96 1s4g n PHE 13 Ca 0.27 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 57.08 1s4g n PHE 13 Cb 1.03 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.94 1s4g n PHE 13 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1s4g s ASN 14 N -0.24 0.34 -0.23 5.98 3.84 -1.26 -4.95 114.94 118.41 1s4g s ASN 14 Ca 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 52.86 52.24 1s4g s ASN 14 Cb 0.00 0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.92 1s4g s ASN 14 CO 0.00 -0.57 0.14 0.52 -2.79 0.00 0.00 177.10 174.40 1s4g n VAL 15 N 0.37 -8.47 -1.33 -5.21 0.31 -1.26 -4.85 118.33 97.88 1s4g n VAL 15 Ca -0.16 1.01 -0.38 0.00 -0.01 0.00 0.00 64.34 64.80 1s4g n VAL 15 Cb 0.60 -6.04 -0.02 0.00 -0.91 0.00 0.00 33.84 27.47 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1s4g n ASP 16 N 0.18 7.09 -4.53 4.52 2.03 -1.26 -4.84 116.55 119.73 1s4g n ASP 16 Ca 0.03 -2.60 -0.43 0.00 0.52 0.00 0.00 54.79 52.30 1s4g n ASP 16 Cb 0.11 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 38.94 1s4g n ASP 16 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1s4g s LYS 17 N 2.63 3.36 0.48 -0.67 -2.85 -1.26 -4.95 119.74 116.47 1s4g s LYS 17 Ca 0.61 -0.21 0.27 0.00 -1.00 0.00 0.00 55.97 55.64 1s4g s LYS 17 Cb 0.16 -3.98 0.97 0.00 -2.06 0.00 0.00 37.83 32.91 1s4g s LYS 17 CO -0.06 -1.23 1.84 0.87 0.10 0.00 0.00 175.35 176.87 1s4g h LYS 18 N 9.08 0.00 -5.74 1.78 1.57 -1.44 -3.13 116.57 118.69 1s4g h LYS 18 Ca -0.25 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.90 1s4g h LYS 18 Cb 1.08 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1s4g h LYS 18 CO 1.00 0.12 0.33 0.00 -0.57 0.00 0.00 179.45 180.33 1s4g n GLN 20 N 6.55 0.48 0.15 0.00 7.27 -1.18 -4.64 117.38 126.01 1s4g n GLN 20 Ca 0.02 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1s4g n GLN 20 Cb 0.48 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4g n ASP 22 N -3.11 0.00 0.00 0.00 8.00 -1.26 -2.59 116.55 117.58 1s4g n ASP 22 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1s4g n ASP 22 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1s4g n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s4g n GLU 23 N 0.00 0.00 0.00 -1.24 4.71 -1.26 -2.36 120.64 120.49 1s4g n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1s4g n GLU 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1s4g n GLU 23 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1s4g n LEU 24 N 0.00 0.00 -0.12 -4.62 7.94 -1.26 -3.93 117.00 115.00 1s4g n LEU 24 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 1s4g n LEU 24 Cb 0.00 0.00 0.60 0.00 0.53 0.00 0.00 43.42 44.55 1s4g n LEU 24 CO 0.00 0.00 1.21 0.00 -1.11 0.00 0.00 177.39 177.49 1s4g h SER 26 N 0.21 0.26 0.06 0.00 4.64 -1.61 -1.34 113.55 115.77 1s4g h SER 26 Ca 0.35 0.17 -0.27 0.00 -0.47 0.00 0.00 61.79 61.57 1s4g h SER 26 Cb 1.09 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1s4g h SER 26 CO -0.07 -0.05 -1.42 1.88 -0.87 0.00 0.00 176.83 176.30 1s4g h TYR 27 N 0.35 0.23 -0.79 4.77 0.05 -1.25 -3.36 116.97 116.97 1s4g h TYR 27 Ca 0.56 -0.17 -0.59 0.00 0.05 0.00 0.00 58.73 58.58 1s4g h TYR 27 Cb 1.10 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.76 1s4g h TYR 27 CO -0.16 1.56 1.89 -0.47 -1.05 0.00 0.00 178.16 179.93 1s4g s TYR 28 N -2.43 2.57 0.00 4.88 5.04 -0.37 -4.70 117.35 122.33 1s4g s TYR 28 Ca -0.25 -1.08 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 1s4g s TYR 28 Cb 0.05 -4.58 0.00 0.00 0.35 0.00 0.00 41.96 37.78 1s4g s TYR 28 CO 0.68 -1.69 0.00 0.94 -1.34 0.00 0.00 175.55 174.14 1s4g n GLN 29 N 8.42 0.00 -3.55 4.97 7.27 -1.24 -4.60 117.38 128.65 1s4g n GLN 29 Ca 0.47 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.36 1s4g n GLN 29 Cb 0.47 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.05 1s4g n GLN 29 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1s4g s SER 30 N -4.00 -0.63 -0.16 1.69 0.01 -0.52 -4.71 113.70 105.37 1s4g s SER 30 Ca 0.00 0.73 -0.10 0.00 1.31 0.00 0.00 55.95 57.90 1s4g s SER 30 Cb 0.00 0.60 -0.07 0.00 0.21 0.00 0.00 66.02 66.76 1s4g s SER 30 CO 0.00 -0.57 -0.23 0.00 0.41 0.00 0.00 173.24 172.85 1s4g n THR 33 N 7.29 -1.97 0.13 0.00 -2.24 -1.26 -4.80 114.28 111.43 1s4g n THR 33 Ca 0.32 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1s4g n THR 33 Cb 0.38 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 1s4g n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1s4g n ASP 34 N -2.81 -0.16 -4.85 3.42 -0.08 -0.04 -5.07 116.55 106.96 1s4g n ASP 34 Ca -0.01 0.45 -0.35 0.00 -1.51 0.00 0.00 54.79 53.37 1s4g n ASP 34 Cb 0.54 0.38 -0.06 0.00 2.34 0.00 0.00 41.12 44.32 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1s4g s TYR 35 N -2.00 3.60 0.00 -0.67 2.02 -0.42 -4.82 117.35 115.07 1s4g s TYR 35 Ca 0.00 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1s4g s TYR 35 Cb 0.00 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1s4g s TYR 35 CO 0.00 0.46 0.00 0.25 -1.57 0.00 0.00 175.55 174.69 1s4g n THR 36 N 0.86 0.00 -0.02 -0.71 -2.24 -1.26 -4.71 114.28 106.20 1s4g n THR 36 Ca -0.06 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1s4g n THR 36 Cb 0.52 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1s4g n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4g h ALA 37 N -2.00 0.00 -2.76 6.98 0.00 -1.97 -3.45 119.26 116.07 1s4g h ALA 37 Ca 0.00 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 1s4g h ALA 37 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1s4g h ALA 37 CO 0.00 0.11 -0.56 -1.83 0.00 0.00 0.00 179.25 176.97 1s4g s GLU 38 N -1.31 2.98 -0.96 0.00 1.03 -1.26 -0.86 118.70 118.32 1s4g s GLU 38 Ca -0.03 -0.80 -0.24 0.00 0.03 0.00 0.00 54.97 53.93 1s4g s GLU 38 Cb 0.00 -2.71 0.03 0.00 -0.80 0.00 0.00 34.13 30.66 1s4g s GLU 38 CO 0.05 0.50 1.49 0.00 -1.33 0.00 0.00 175.26 175.97 1s4g s LYS 40 N 5.37 0.66 -0.44 0.00 2.20 -1.26 -4.90 119.74 121.37 1s4g s LYS 40 Ca 0.48 0.51 -0.42 0.00 -0.36 0.00 0.00 55.97 56.17 1s4g s LYS 40 Cb -0.02 0.32 -0.17 0.00 -1.51 0.00 0.00 37.83 36.45 1s4g s LYS 40 CO -0.05 -0.14 2.02 -2.30 -0.36 0.00 0.00 175.35 174.53 1s4g n PRO 41 N 1.74 0.35 -0.03 4.03 -0.02 -1.26 -4.82 135.00 134.99 1s4g n PRO 41 Ca -0.13 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.42 1s4g n PRO 41 Cb 0.56 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1s4g n PRO 41 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s4g n GLN 42 N 6.87 0.22 -3.90 -0.52 6.02 -1.26 -5.04 117.38 119.77 1s4g n GLN 42 Ca 0.45 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 57.21 1s4g n GLN 42 Cb 0.03 -0.83 -0.04 0.00 1.02 0.00 0.00 30.24 30.42 1s4g n GLN 42 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1s4g s VAL 43 N -2.06 5.41 -0.03 5.09 -7.23 -1.26 -5.04 120.40 115.28 1s4g s VAL 43 Ca -0.12 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1s4g s VAL 43 Cb 0.02 -3.58 -0.25 0.00 0.56 0.00 0.00 36.38 33.13 1s4g s VAL 43 CO 0.18 0.24 1.03 0.00 -0.31 0.00 0.00 175.10 176.24 1s4g h THR 44 N 2.48 1.50 0.00 5.32 1.03 -1.96 -3.48 112.91 117.80 1s4g h THR 44 Ca -0.47 -2.11 0.00 0.00 -0.01 0.00 0.00 66.41 63.82 1s4g h THR 44 Cb 1.17 2.79 0.00 0.00 -1.07 0.00 0.00 68.15 71.05 1s4g h THR 44 CO 0.72 0.60 0.00 -1.14 -0.01 0.00 0.00 175.52 175.69 1s4g n ARG 45 N -4.33 0.00 0.00 0.00 0.63 -1.26 -4.22 116.66 107.48 1s4g n ARG 45 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1s4g n ARG 45 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s4g n GLY 46 N 0.00 0.08 3.80 5.14 0.00 -1.26 -5.06 105.19 107.89 1s4g n GLY 46 Ca 0.00 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1s4g n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s4g s ASP 47 N 0.00 6.44 0.00 1.61 -4.77 -1.26 -3.88 116.67 114.82 1s4g s ASP 47 Ca 0.00 1.85 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 1s4g s ASP 47 Cb 0.00 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1s4g s ASP 47 CO 0.00 -0.71 0.00 0.52 0.70 0.00 0.00 175.17 175.68 1s4g n VAL 48 N -1.00 0.00 -1.80 2.11 0.31 -1.26 -4.17 118.33 112.52 1s4g n VAL 48 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.01 1s4g n VAL 48 Cb 0.53 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.45 1s4g n VAL 48 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1s4g n PHE 49 N 0.00 2.93 -2.17 3.52 7.35 -1.26 -4.97 117.46 122.86 1s4g n PHE 49 Ca 0.00 -2.94 -0.41 0.00 -0.76 0.00 0.00 57.45 53.34 1s4g n PHE 49 Cb 0.00 -2.27 -0.03 0.00 0.35 0.00 0.00 39.48 37.53 1s4g n PHE 49 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1s4g s THR 50 N 1.50 2.91 -2.00 -2.13 2.01 -1.25 -4.61 115.64 112.07 1s4g s THR 50 Ca 0.53 0.85 0.24 0.00 0.31 0.00 0.00 61.69 63.62 1s4g s THR 50 Cb 0.15 -3.54 0.70 0.00 0.01 0.00 0.00 72.50 69.81 1s4g s THR 50 CO -0.06 0.18 1.82 1.15 -0.69 0.00 0.00 174.62 177.02