#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 0.21 -6.98 -0.67 5.75 -1.99 -3.40 115.11 108.03 1s4g h GLN 2 Ca 0.00 -0.19 -0.45 0.00 -0.15 0.00 0.00 58.65 57.86 1s4g h GLN 2 Cb 0.00 0.05 0.06 0.00 1.07 0.00 0.00 27.48 28.66 1s4g h GLN 2 CO 0.00 0.88 0.04 -1.21 -2.65 0.00 0.00 178.83 175.89 1s4g s GLU 3 N -3.39 2.18 0.00 1.69 8.01 -1.26 -4.54 118.70 121.39 1s4g s GLU 3 Ca -0.15 -0.87 0.00 0.00 0.01 0.00 0.00 54.97 53.95 1s4g s GLU 3 Cb 0.02 -2.40 0.00 0.00 -4.31 0.00 0.00 34.13 27.44 1s4g s GLU 3 CO 0.75 -1.04 0.00 0.43 0.01 0.00 0.00 175.26 175.40 1s4g n SER 4 N -2.58 0.00 -4.67 -0.19 7.64 -1.26 -4.85 113.62 107.71 1s4g n SER 4 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 1s4g n SER 4 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 6.07 1.26 -1.32 0.00 4.76 -1.26 -4.63 118.16 123.04 1s4g n LYS 6 Ca 0.12 -3.74 0.00 0.00 -2.87 0.00 0.00 58.31 51.82 1s4g n LYS 6 Cb 0.46 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s4g n GLY 7 N 1.49 -0.55 3.57 0.72 0.00 -0.86 -4.51 105.19 105.05 1s4g n GLY 7 Ca 0.25 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1s4g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4g s ARG 8 N -1.48 3.86 0.35 1.61 3.52 -1.26 -4.66 118.95 120.88 1s4g s ARG 8 Ca 0.00 -1.71 -0.18 0.00 -0.13 0.00 0.00 55.73 53.72 1s4g s ARG 8 Cb 0.00 -5.47 0.04 0.00 -1.56 0.00 0.00 34.95 27.96 1s4g s ARG 8 CO 0.00 -2.24 0.77 0.00 -0.81 0.00 0.00 175.30 173.03 1s4g n THR 10 N -0.51 -3.10 0.06 0.00 -2.24 -1.26 -4.10 114.28 103.13 1s4g n THR 10 Ca -0.07 -0.59 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 1s4g n THR 10 Cb 0.60 -2.58 -0.12 0.00 -2.10 0.00 0.00 70.33 66.13 1s4g n THR 10 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1s4g h GLU 11 N -1.94 0.02 -5.37 -0.78 4.11 -1.93 -3.39 114.58 105.31 1s4g h GLU 11 Ca -0.65 -0.03 -0.43 0.00 0.07 0.00 0.00 59.36 58.32 1s4g h GLU 11 Cb 1.38 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1s4g h GLU 11 CO 0.60 1.01 1.43 0.41 0.07 0.00 0.00 179.01 182.53 1s4g n GLY 12 N 1.34 1.49 1.28 1.06 0.00 -1.26 -2.83 105.19 106.28 1s4g n GLY 12 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1s4g n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4g n PHE 13 N 12.53 -2.44 0.17 1.61 7.35 -1.26 -5.04 117.46 130.37 1s4g n PHE 13 Ca 0.46 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1s4g n PHE 13 Cb 0.46 1.24 0.00 0.00 0.35 0.00 0.00 39.48 41.53 1s4g n PHE 13 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1s4g n ASN 14 N -2.68 -3.04 -3.85 -2.13 5.15 -1.13 -5.15 115.26 102.43 1s4g n ASN 14 Ca 0.00 0.69 -0.09 0.00 -0.60 0.00 0.00 54.58 54.58 1s4g n ASN 14 Cb 0.00 2.96 -0.03 0.00 -0.53 0.00 0.00 39.78 42.17 1s4g n ASN 14 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1s4g s VAL 15 N -1.76 0.01 -0.22 3.44 0.11 -1.20 -5.08 120.40 115.70 1s4g s VAL 15 Ca 0.00 -1.01 -0.37 0.00 -2.93 0.00 0.00 61.98 57.66 1s4g s VAL 15 Cb 0.00 -1.89 -0.14 0.00 -1.53 0.00 0.00 36.38 32.82 1s4g s VAL 15 CO 0.00 -0.04 1.87 -0.67 -3.33 0.00 0.00 175.10 172.93 1s4g n ASP 16 N -0.40 2.75 -0.02 3.54 2.03 -1.26 -4.45 116.55 118.74 1s4g n ASP 16 Ca -0.06 0.94 -0.13 0.00 0.52 0.00 0.00 54.79 56.06 1s4g n ASP 16 Cb 0.61 -1.24 -0.10 0.00 -0.72 0.00 0.00 41.12 39.67 1s4g n ASP 16 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1s4g h LYS 17 N 8.75 0.07 0.00 -0.67 1.57 -1.80 -3.44 116.57 121.06 1s4g h LYS 17 Ca -0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1s4g h LYS 17 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1s4g h LYS 17 CO 0.97 0.57 0.00 1.63 -0.57 0.00 0.00 179.45 182.05 1s4g n LYS 18 N -4.78 0.00 -2.87 3.15 5.02 -1.26 -3.42 118.16 113.99 1s4g n LYS 18 Ca -0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 1s4g n LYS 18 Cb 0.29 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4g h GLN 20 N 5.30 0.63 0.00 0.00 4.15 -1.71 -1.46 115.11 122.02 1s4g h GLN 20 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1s4g h GLN 20 Cb 1.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1s4g h GLN 20 CO 0.05 0.57 0.00 0.00 -1.93 0.00 0.00 178.83 177.52 1s4g n ASP 22 N -1.03 -0.66 -4.11 0.00 5.75 -1.26 -4.18 116.55 111.06 1s4g n ASP 22 Ca 0.00 0.20 -0.30 0.00 -0.01 0.00 0.00 54.79 54.69 1s4g n ASP 22 Cb 0.00 0.83 -0.05 0.00 -1.03 0.00 0.00 41.12 40.87 1s4g n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s4g n GLU 23 N -2.78 -1.93 0.00 0.11 4.71 -1.26 -2.13 120.64 117.36 1s4g n GLU 23 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1s4g n GLU 23 Cb 0.00 -3.94 0.00 0.00 -1.01 0.00 0.00 31.44 26.49 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 -4.52 0.00 -4.60 -4.62 0.00 -1.26 -2.03 117.00 99.96 1s4g n LEU 24 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.29 1s4g n LEU 24 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.07 1s4g n LEU 24 CO 0.79 0.00 1.66 0.00 0.00 0.00 0.00 177.39 179.84 1s4g n SER 26 N 10.63 0.00 -0.47 0.00 3.41 -1.26 -4.39 113.62 121.54 1s4g n SER 26 Ca 0.25 0.00 0.38 0.00 -0.26 0.00 0.00 58.87 59.25 1s4g n SER 26 Cb 0.46 0.41 0.67 0.00 -0.26 0.00 0.00 64.21 65.49 1s4g n SER 26 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1s4g h TYR 27 N 0.00 0.47 -0.50 7.33 -0.00 -1.84 -0.67 116.97 121.76 1s4g h TYR 27 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 58.73 58.81 1s4g h TYR 27 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.73 36.59 1s4g h TYR 27 CO 0.00 -0.19 0.33 0.10 -0.00 0.00 0.00 178.16 178.40 1s4g h TYR 28 N 0.07 0.42 0.00 0.10 -0.00 -1.94 -3.43 116.97 112.18 1s4g h TYR 28 Ca 0.83 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 59.57 1s4g h TYR 28 Cb 2.68 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 39.28 1s4g h TYR 28 CO -0.00 0.22 0.00 0.94 -0.00 0.00 0.00 178.16 179.32 1s4g n GLN 29 N -4.47 0.00 0.00 0.10 7.27 -0.39 -5.11 117.38 114.77 1s4g n GLN 29 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1s4g n GLN 29 Cb 0.26 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.91 1s4g n GLN 29 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1s4g n SER 30 N -1.97 0.00 -3.26 1.69 3.41 -0.42 -5.02 113.62 108.05 1s4g n SER 30 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1s4g n SER 30 Cb 0.00 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n THR 33 N 0.60 0.00 0.00 0.00 -2.24 -1.26 -4.36 114.28 107.02 1s4g n THR 33 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1s4g n THR 33 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1s4g n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1s4g n ASP 34 N 1.34 0.00 -4.73 3.42 5.75 -1.26 -4.93 116.55 116.15 1s4g n ASP 34 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1s4g n ASP 34 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1s4g s TYR 35 N 0.00 2.11 -0.29 2.11 5.04 -1.26 -4.91 117.35 120.16 1s4g s TYR 35 Ca 0.00 1.58 -0.22 0.00 -2.44 0.00 0.00 57.07 55.99 1s4g s TYR 35 Cb 0.00 -3.47 0.14 0.00 0.35 0.00 0.00 41.96 38.98 1s4g s TYR 35 CO 0.00 -2.54 1.08 -0.08 -1.34 0.00 0.00 175.55 172.66 1s4g s THR 36 N -1.94 0.00 0.00 4.34 -1.32 -1.26 -0.61 115.64 114.85 1s4g s THR 36 Ca 0.75 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1s4g s THR 36 Cb -0.29 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1s4g s THR 36 CO 0.44 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.85 1s4g n ALA 37 N 2.61 0.00 -2.43 11.08 0.00 -0.55 -1.16 120.51 130.06 1s4g n ALA 37 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1s4g n ALA 37 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1s4g n ALA 37 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s4g s GLU 38 N 0.00 1.55 0.14 0.00 2.02 -1.24 -1.02 118.70 120.16 1s4g s GLU 38 Ca 0.00 -1.78 -0.17 0.00 0.02 0.00 0.00 54.97 53.04 1s4g s GLU 38 Cb 0.00 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 33.05 1s4g s GLU 38 CO 0.00 0.06 1.78 0.00 0.02 0.00 0.00 175.26 177.12 1s4g s LYS 40 N -6.16 2.87 0.43 0.00 -2.85 -1.26 -4.95 119.74 107.81 1s4g s LYS 40 Ca -0.13 1.27 -0.26 0.00 -1.00 0.00 0.00 55.97 55.86 1s4g s LYS 40 Cb 0.10 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.82 1s4g s LYS 40 CO 0.71 -1.18 1.37 -1.25 0.10 0.00 0.00 175.35 175.10 1s4g s PRO 41 N -4.29 3.82 0.00 1.78 0.04 -1.26 -4.94 135.00 130.15 1s4g s PRO 41 Ca 0.64 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1s4g s PRO 41 Cb -0.18 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1s4g s PRO 41 CO 0.44 -0.67 0.00 0.94 0.04 0.00 0.00 177.00 177.75 1s4g n GLN 42 N -0.04 0.00 -3.13 4.56 7.27 -1.26 -4.99 117.38 119.79 1s4g n GLN 42 Ca 0.04 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.74 1s4g n GLN 42 Cb 0.42 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.01 1s4g n GLN 42 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1s4g s VAL 43 N -2.37 4.58 -0.30 1.69 1.01 -1.26 -4.94 120.40 118.82 1s4g s VAL 43 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 1s4g s VAL 43 Cb 0.00 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1s4g s VAL 43 CO 0.00 0.33 1.07 -0.89 0.00 0.00 0.00 175.10 175.61 1s4g s THR 44 N -1.38 4.54 0.22 3.92 2.01 -1.26 -4.57 115.64 119.11 1s4g s THR 44 Ca 0.39 1.79 0.00 0.00 0.31 0.00 0.00 61.69 64.18 1s4g s THR 44 Cb -0.18 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 67.94 1s4g s THR 44 CO 0.21 -0.41 0.00 -1.14 -0.69 0.00 0.00 174.62 172.59 1s4g n ARG 45 N 6.76 0.00 0.00 4.92 0.63 -0.31 -4.92 116.66 123.74 1s4g n ARG 45 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1s4g n ARG 45 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 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 -1.42 3.73 3.41 5.14 0.00 -1.09 -4.80 105.19 110.16 1s4g n GLY 46 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -6.22 -1.45 1.61 2.03 -1.24 -1.60 116.55 109.69 1s4g n ASP 47 Ca 0.00 -0.37 -0.18 0.00 0.52 0.00 0.00 54.79 54.76 1s4g n ASP 47 Cb 0.00 -3.20 -0.08 0.00 -0.72 0.00 0.00 41.12 37.12 1s4g n ASP 47 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1s4g n VAL 48 N -1.65 0.00 -3.69 5.18 0.31 -0.18 -1.43 118.33 116.87 1s4g n VAL 48 Ca -0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.96 1s4g n VAL 48 Cb 0.61 -1.77 0.06 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.24 -2.44 0.04 3.52 7.35 -0.62 -4.91 117.46 118.16 1s4g n PHE 49 Ca -0.18 0.94 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 1s4g n PHE 49 Cb 0.62 -4.62 0.00 0.00 0.35 0.00 0.00 39.48 35.83 1s4g n PHE 49 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1s4g n THR 50 N -4.65 0.69 0.96 -2.13 -2.24 -0.52 -4.95 114.28 101.44 1s4g n THR 50 Ca -0.08 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1s4g n THR 50 Cb 0.59 -1.46 0.10 0.00 -2.10 0.00 0.00 70.33 67.46 1s4g n THR 50 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30