#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 0.16 0.02 -1.24 5.75 -2.03 -3.42 115.11 114.35 1s4g h GLN 2 Ca 0.00 -0.27 -0.31 0.00 -0.15 0.00 0.00 58.65 57.92 1s4g h GLN 2 Cb 0.00 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1s4g h GLN 2 CO 0.00 1.13 -1.72 -0.85 -2.65 0.00 0.00 178.83 174.74 1s4g n GLU 3 N -4.33 0.60 0.00 1.69 -0.00 -1.26 -5.03 120.64 112.31 1s4g n GLU 3 Ca -0.14 0.45 0.00 0.00 -0.00 0.00 0.00 57.16 57.47 1s4g n GLU 3 Cb 0.68 -1.67 0.00 0.00 -0.00 0.00 0.00 31.44 30.45 1s4g n GLU 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1s4g n SER 4 N -4.22 0.00 -0.02 -1.84 3.41 -1.26 -5.18 113.62 104.51 1s4g n SER 4 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1s4g n SER 4 Cb 0.79 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1s4g n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n LYS 6 N 0.00 0.48 -0.03 0.00 4.01 -1.26 -2.84 118.16 118.53 1s4g n LYS 6 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 1s4g n LYS 6 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.50 1s4g n LYS 6 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s4g n GLY 7 N 5.00 -0.27 3.64 0.72 0.00 -1.26 -4.61 105.19 108.41 1s4g n GLY 7 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1s4g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4g s ARG 8 N -2.40 4.10 0.06 1.61 3.00 -1.26 -0.52 118.95 123.55 1s4g s ARG 8 Ca -0.15 1.14 0.02 0.00 0.00 0.00 0.00 55.73 56.75 1s4g s ARG 8 Cb 0.03 -3.72 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 1s4g s ARG 8 CO 0.21 -0.85 -0.08 0.00 0.00 0.00 0.00 175.30 174.58 1s4g n THR 10 N 1.04 1.42 0.21 0.00 -1.04 -1.26 -3.53 114.28 111.12 1s4g n THR 10 Ca -0.20 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 60.99 1s4g n THR 10 Cb 0.56 -0.96 -0.07 0.00 -1.82 0.00 0.00 70.33 68.04 1s4g n THR 10 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1s4g h GLU 11 N 0.00 -0.55 0.00 -2.82 3.07 -1.95 -3.44 114.58 108.89 1s4g h GLU 11 Ca -0.56 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1s4g h GLU 11 Cb 2.05 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 30.09 1s4g h GLU 11 CO -0.03 -0.25 0.00 0.41 -1.40 0.00 0.00 179.01 177.74 1s4g n GLY 12 N -0.14 -0.51 3.78 -3.84 0.00 -1.26 -5.07 105.19 98.15 1s4g n GLY 12 Ca -0.09 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.04 2.72 0.19 1.61 5.36 -1.26 -4.73 117.98 121.82 1s4g s PHE 13 Ca 0.00 1.47 -0.24 0.00 -0.96 0.00 0.00 56.93 57.20 1s4g s PHE 13 Cb 0.00 -3.01 0.08 0.00 -0.34 0.00 0.00 43.02 39.74 1s4g s PHE 13 CO 0.00 -1.69 1.55 -0.97 -1.46 0.00 0.00 175.22 172.65 1s4g h ASN 14 N -1.05 -1.72 -2.85 6.13 -0.73 -1.91 -1.81 115.58 111.64 1s4g h ASN 14 Ca -0.44 0.30 -0.63 0.00 1.87 0.00 0.00 56.30 57.40 1s4g h ASN 14 Cb 1.23 0.81 -0.41 0.00 0.27 0.00 0.00 38.32 40.23 1s4g h ASN 14 CO 0.53 -0.28 -0.46 0.55 -0.37 0.00 0.00 177.43 177.40 1s4g n VAL 15 N -5.38 2.19 -0.22 2.57 3.14 -1.26 -2.01 118.33 117.36 1s4g n VAL 15 Ca 0.05 -5.05 -0.06 0.00 -2.96 0.00 0.00 64.34 56.32 1s4g n VAL 15 Cb 0.34 -2.19 0.04 0.00 -1.06 0.00 0.00 33.84 30.97 1s4g n VAL 15 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1s4g h ASP 16 N 5.11 0.73 -4.80 6.55 3.58 0.10 -3.44 116.42 124.25 1s4g h ASP 16 Ca 0.17 -0.03 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 1s4g h ASP 16 Cb 0.73 -0.18 -0.19 0.00 1.72 0.00 0.00 39.33 41.40 1s4g h ASP 16 CO 0.80 0.55 -0.72 -0.54 -2.88 0.00 0.00 179.24 176.45 1s4g s LYS 17 N -6.08 0.57 0.44 0.28 1.02 -0.57 -4.94 119.74 110.47 1s4g s LYS 17 Ca -0.13 -0.91 0.22 0.00 0.02 0.00 0.00 55.97 55.17 1s4g s LYS 17 Cb 0.13 -0.16 1.01 0.00 -0.52 0.00 0.00 37.83 38.29 1s4g s LYS 17 CO 0.76 0.00 1.89 1.57 -0.92 0.00 0.00 175.35 178.66 1s4g h LYS 18 N 4.05 0.00 -1.59 1.68 2.10 -1.85 -3.37 116.57 117.58 1s4g h LYS 18 Ca -0.35 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.38 1s4g h LYS 18 Cb 1.19 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.26 1s4g h LYS 18 CO 0.48 0.25 0.41 0.00 -2.00 0.00 0.00 179.45 178.60 1s4g n GLN 20 N 2.86 0.78 -3.89 0.00 7.27 -1.26 -4.83 117.38 118.31 1s4g n GLN 20 Ca -0.15 -2.18 -0.38 0.00 0.07 0.00 0.00 57.00 54.36 1s4g n GLN 20 Cb 0.57 -1.38 0.02 0.00 2.41 0.00 0.00 30.24 31.86 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 -2.49 0.00 -4.45 0.00 5.75 -1.26 -4.94 116.55 109.16 1s4g n ASP 22 Ca -0.12 -0.09 -0.41 0.00 -0.01 0.00 0.00 54.79 54.15 1s4g n ASP 22 Cb 0.59 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.67 1s4g n ASP 22 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1s4g n GLU 23 N 0.00 2.92 -1.73 0.11 4.07 -1.26 -4.87 120.64 119.88 1s4g n GLU 23 Ca 0.00 -3.06 -0.38 0.00 -0.06 0.00 0.00 57.16 53.66 1s4g n GLU 23 Cb 0.02 -3.49 -0.05 0.00 -0.06 0.00 0.00 31.44 27.87 1s4g n GLU 23 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1s4g n LEU 24 N 8.85 4.09 0.00 4.31 4.77 -1.26 -1.29 117.00 136.48 1s4g n LEU 24 Ca 0.49 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 1s4g n LEU 24 Cb 0.45 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1s4g n LEU 24 CO 0.78 -0.70 0.00 0.00 -1.33 0.00 0.00 177.39 176.14 1s4g n SER 26 N 0.00 1.54 -0.07 0.00 7.64 -0.41 -3.71 113.62 118.60 1s4g n SER 26 Ca 0.00 -3.04 -0.09 0.00 1.01 0.00 0.00 58.87 56.75 1s4g n SER 26 Cb 0.00 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 1s4g n SER 26 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1s4g h TYR 27 N 2.98 0.00 -3.49 1.43 3.20 -0.25 -1.65 116.97 119.18 1s4g h TYR 27 Ca 0.06 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.40 1s4g h TYR 27 Cb 0.97 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1s4g h TYR 27 CO 0.53 0.60 0.18 0.71 -1.64 0.00 0.00 178.16 178.53 1s4g s TYR 28 N -2.05 3.86 -1.38 -3.82 2.02 -0.73 -1.70 117.35 113.54 1s4g s TYR 28 Ca -0.14 1.59 -0.02 0.00 -0.37 0.00 0.00 57.07 58.13 1s4g s TYR 28 Cb 0.01 -2.78 0.01 0.00 -0.40 0.00 0.00 41.96 38.79 1s4g s TYR 28 CO 0.37 0.45 0.15 1.04 -1.57 0.00 0.00 175.55 175.99 1s4g n GLN 29 N 1.94 -2.62 0.00 -0.62 6.02 -1.26 -0.63 117.38 120.21 1s4g n GLN 29 Ca -0.05 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1s4g n GLN 29 Cb 0.49 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.32 1s4g n GLN 29 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1s4g n SER 30 N -2.04 0.00 0.05 1.08 7.64 -1.25 -4.73 113.62 114.37 1s4g n SER 30 Ca -0.16 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.70 1s4g n SER 30 Cb 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.43 1.11 0.00 0.00 2.02 -1.69 -3.45 112.91 111.33 1s4g h THR 33 Ca 0.01 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1s4g h THR 33 Cb 1.08 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1s4g h THR 33 CO 0.10 0.16 0.00 0.47 0.37 0.00 0.00 175.52 176.62 1s4g n ASP 34 N -5.00 0.00 -4.20 4.18 8.00 -0.92 -4.94 116.55 113.68 1s4g n ASP 34 Ca -0.08 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 1s4g n ASP 34 Cb 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1s4g n ASP 34 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1s4g s TYR 35 N -0.70 1.62 -1.07 1.24 -0.85 -0.36 -5.03 117.35 112.20 1s4g s TYR 35 Ca 0.00 -1.24 -0.23 0.00 -0.52 0.00 0.00 57.07 55.09 1s4g s TYR 35 Cb 0.00 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 1s4g s TYR 35 CO 0.00 -0.37 1.83 0.95 -1.52 0.00 0.00 175.55 176.44 1s4g s THR 36 N -3.62 3.66 0.00 -3.49 -4.23 -1.26 -3.79 115.64 102.91 1s4g s THR 36 Ca 0.36 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1s4g s THR 36 Cb 0.06 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 69.36 1s4g s THR 36 CO 0.15 -1.29 0.00 0.00 -0.54 0.00 0.00 174.62 172.94 1s4g n ALA 37 N 12.41 0.00 -3.44 3.99 0.00 -1.26 -4.81 120.51 127.40 1s4g n ALA 37 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 1s4g n ALA 37 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 1s4g n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1s4g s GLU 38 N 0.55 1.03 -0.47 0.00 1.03 -1.26 -3.85 118.70 115.71 1s4g s GLU 38 Ca 0.00 0.06 -0.27 0.00 0.03 0.00 0.00 54.97 54.79 1s4g s GLU 38 Cb 0.00 0.48 -0.05 0.00 -0.80 0.00 0.00 34.13 33.76 1s4g s GLU 38 CO 0.00 -0.34 2.16 0.00 -1.33 0.00 0.00 175.26 175.75 1s4g s LYS 40 N 7.37 0.77 -1.21 0.00 2.20 -1.26 -4.99 119.74 122.62 1s4g s LYS 40 Ca 0.87 -0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 56.03 1s4g s LYS 40 Cb -0.18 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1s4g s LYS 40 CO 0.26 -1.18 1.78 -1.25 -0.36 0.00 0.00 175.35 174.61 1s4g s PRO 41 N 1.90 3.38 -0.42 4.03 0.04 -1.26 -4.81 135.00 137.85 1s4g s PRO 41 Ca 0.15 -1.53 -0.12 0.00 0.04 0.00 0.00 61.00 59.55 1s4g s PRO 41 Cb -0.06 -5.40 0.06 0.00 0.04 0.00 0.00 34.50 29.15 1s4g s PRO 41 CO -0.09 -2.87 0.29 -1.14 0.04 0.00 0.00 177.00 173.23 1s4g s GLN 42 N 5.20 2.78 0.61 4.56 0.74 -1.26 -4.97 119.66 127.31 1s4g s GLN 42 Ca 0.59 -1.32 0.32 0.00 0.05 0.00 0.00 55.36 55.00 1s4g s GLN 42 Cb 0.01 -3.88 1.89 0.00 1.10 0.00 0.00 33.01 32.13 1s4g s GLN 42 CO 0.07 -0.91 2.24 -0.39 -0.55 0.00 0.00 175.29 175.75 1s4g h VAL 43 N 5.92 0.42 -0.73 1.34 -1.51 -1.91 -1.12 116.25 118.66 1s4g h VAL 43 Ca -0.25 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1s4g h VAL 43 Cb 1.10 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 1s4g h VAL 43 CO 0.77 0.00 0.33 0.74 -1.23 0.00 0.00 177.57 178.18 1s4g h THR 44 N 0.00 1.24 0.26 7.19 2.02 -2.00 -2.74 112.91 118.89 1s4g h THR 44 Ca 0.02 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1s4g h THR 44 Cb 0.12 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1s4g h THR 44 CO -0.00 0.29 -0.13 0.03 0.37 0.00 0.00 175.52 176.08 1s4g h ARG 45 N 1.04 -0.34 0.00 6.66 3.08 -1.59 -3.50 114.38 119.74 1s4g h ARG 45 Ca 0.25 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1s4g h ARG 45 Cb 0.14 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1s4g h ARG 45 CO -0.03 -0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 1s4g n GLY 46 N 0.46 1.49 5.24 0.04 0.00 -0.80 -4.75 105.19 106.88 1s4g n GLY 46 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1s4g n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s4g n ASP 47 N 0.00 0.00 0.20 1.61 8.00 0.20 -2.34 116.55 124.22 1s4g n ASP 47 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1s4g n ASP 47 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.31 1s4g n ASP 47 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1s4g h VAL 48 N 0.00 0.00 -4.05 2.53 -1.51 -1.85 -1.01 116.25 110.36 1s4g h VAL 48 Ca 0.00 -0.92 -0.13 0.00 -1.23 0.00 0.00 66.70 64.42 1s4g h VAL 48 Cb 0.00 1.92 -0.13 0.00 -2.13 0.00 0.00 31.29 30.95 1s4g h VAL 48 CO 0.00 0.00 -0.38 0.72 -1.23 0.00 0.00 177.57 176.68 1s4g s PHE 49 N -3.19 0.60 -0.29 5.19 -0.71 -0.99 -4.95 117.98 113.64 1s4g s PHE 49 Ca 0.08 -0.94 -0.11 0.00 -1.04 0.00 0.00 56.93 54.92 1s4g s PHE 49 Cb 0.06 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1s4g s PHE 49 CO 0.66 -0.73 0.19 0.99 -1.34 0.00 0.00 175.22 174.99 1s4g s THR 50 N -4.02 5.26 -2.05 -4.49 2.01 -1.26 -4.44 115.64 106.64 1s4g s THR 50 Ca 0.23 0.10 0.32 0.00 0.31 0.00 0.00 61.69 62.65 1s4g s THR 50 Cb 0.04 -3.53 0.88 0.00 0.01 0.00 0.00 72.50 69.90 1s4g s THR 50 CO 0.04 0.22 2.19 1.15 -0.69 0.00 0.00 174.62 177.53