#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 0.60 -0.51 -0.67 3.07 -1.84 -2.81 115.11 112.95 1s4g h GLN 2 Ca 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 58.65 58.52 1s4g h GLN 2 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 1s4g h GLN 2 CO 0.00 0.72 0.19 1.05 0.09 0.00 0.00 178.83 180.88 1s4g h GLU 3 N 0.55 0.73 0.00 0.06 9.09 -1.94 -3.46 114.58 119.60 1s4g h GLU 3 Ca 0.10 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1s4g h GLU 3 Cb 0.55 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1s4g h GLU 3 CO 0.03 0.61 0.00 0.43 0.05 0.00 0.00 179.01 180.13 1s4g n SER 4 N -4.34 0.00 -4.69 3.06 7.64 -1.06 -4.84 113.62 109.38 1s4g n SER 4 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 1s4g n SER 4 Cb 0.16 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 5.62 4.59 0.00 0.00 5.02 -1.26 -4.65 118.16 127.47 1s4g n LYS 6 Ca 0.16 -4.48 0.00 0.00 -2.02 0.00 0.00 58.31 51.97 1s4g n LYS 6 Cb 0.41 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 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 -0.19 2.09 3.13 0.72 0.00 -1.26 -4.43 105.19 105.25 1s4g n GLY 7 Ca 0.46 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1s4g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4g n ARG 8 N 0.00 2.98 0.00 1.61 3.00 -1.23 -2.56 116.66 120.46 1s4g n ARG 8 Ca 0.00 -2.89 0.00 0.00 -0.01 0.00 0.00 57.85 54.95 1s4g n ARG 8 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 32.46 29.08 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s4g n THR 10 N -0.63 0.00 -0.02 0.00 -2.24 -1.09 -5.08 114.28 105.22 1s4g n THR 10 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1s4g n THR 10 Cb 0.00 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 1s4g n THR 10 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s4g n GLU 11 N -1.49 0.11 -1.84 -0.78 1.02 -1.20 -4.87 120.64 111.59 1s4g n GLU 11 Ca 0.00 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1s4g n GLU 11 Cb 0.00 -0.81 -0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 2.90 4.09 0.26 0.62 0.00 -1.06 -4.60 105.19 107.40 1s4g n GLY 12 Ca -0.09 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1s4g n GLY 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1s4g h PHE 13 N 6.29 0.85 0.00 1.61 -0.00 -1.90 -3.27 116.94 120.52 1s4g h PHE 13 Ca 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.50 1s4g h PHE 13 Cb 0.67 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.35 1s4g h PHE 13 CO 1.45 0.60 0.00 -1.71 -0.00 0.00 0.00 178.31 178.65 1s4g n ASN 14 N -4.57 0.00 -4.14 -0.68 2.85 -1.26 -4.88 115.26 102.57 1s4g n ASN 14 Ca 0.04 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.27 1s4g n ASN 14 Cb 0.08 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.94 1s4g n ASN 14 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s4g s VAL 15 N -1.00 1.33 0.00 3.44 0.11 -1.26 -3.39 120.40 119.62 1s4g s VAL 15 Ca 0.00 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1s4g s VAL 15 Cb 0.00 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1s4g s VAL 15 CO 0.00 0.38 0.00 -0.67 -3.33 0.00 0.00 175.10 171.48 1s4g n ASP 16 N 2.79 0.00 0.14 3.54 2.03 -1.26 -4.42 116.55 119.37 1s4g n ASP 16 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1s4g n ASP 16 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1s4g n ASP 16 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s4g n LYS 17 N 0.00 0.00 0.02 -0.67 5.02 -1.26 -4.87 118.16 116.40 1s4g n LYS 17 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1s4g n LYS 17 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1s4g n LYS 17 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s4g n LYS 18 N -3.19 0.10 -3.64 1.97 4.76 -1.26 -5.02 118.16 111.88 1s4g n LYS 18 Ca 0.00 0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.44 1s4g n LYS 18 Cb 0.00 -0.62 -0.06 0.00 -1.84 0.00 0.00 35.03 32.50 1s4g n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s4g n GLN 20 N 1.30 0.09 -2.70 0.00 6.02 -1.26 -4.11 117.38 116.72 1s4g n GLN 20 Ca -0.08 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.89 1s4g n GLN 20 Cb 0.57 -0.65 0.12 0.00 1.02 0.00 0.00 30.24 31.30 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4g s ASP 22 N -1.33 6.52 0.19 0.00 1.11 -1.26 -4.83 116.67 117.06 1s4g s ASP 22 Ca 0.21 0.62 -0.12 0.00 0.18 0.00 0.00 52.55 53.43 1s4g s ASP 22 Cb 0.41 -2.24 0.19 0.00 1.07 0.00 0.00 42.92 42.35 1s4g s ASP 22 CO -0.09 -0.02 1.74 -0.33 1.18 0.00 0.00 175.17 177.65 1s4g h GLU 23 N 7.02 0.31 0.07 8.23 3.07 -1.94 0.33 114.58 131.67 1s4g h GLU 23 Ca -0.39 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1s4g h GLU 23 Cb 1.17 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 1s4g h GLU 23 CO 0.74 0.21 -0.12 -0.07 -1.40 0.00 0.00 179.01 178.37 1s4g h LEU 24 N 0.32 -0.33 -0.50 1.33 3.38 -1.94 -1.34 115.31 116.23 1s4g h LEU 24 Ca 0.25 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1s4g h LEU 24 Cb 0.30 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1s4g h LEU 24 CO -0.28 -0.18 -0.13 0.00 0.09 0.00 0.00 178.44 177.94 1s4g h SER 26 N 0.82 0.84 -0.71 0.00 0.02 -0.56 -0.72 113.55 113.25 1s4g h SER 26 Ca 0.12 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1s4g h SER 26 Cb 0.70 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1s4g h SER 26 CO 0.05 0.47 0.43 1.88 -1.14 0.00 0.00 176.83 178.53 1s4g h TYR 27 N 0.92 0.80 -0.12 3.45 0.05 -1.17 -3.02 116.97 117.87 1s4g h TYR 27 Ca 0.45 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.22 1s4g h TYR 27 Cb 0.47 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1s4g h TYR 27 CO -0.00 0.43 -0.08 1.88 -1.05 0.00 0.00 178.16 179.33 1s4g h TYR 28 N 0.82 0.32 -1.98 4.88 0.05 -1.22 -3.46 116.97 116.38 1s4g h TYR 28 Ca 0.30 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.94 1s4g h TYR 28 Cb 0.10 -0.07 -0.20 0.00 1.01 0.00 0.00 36.73 37.57 1s4g h TYR 28 CO -0.05 0.64 0.20 1.14 -1.05 0.00 0.00 178.16 179.04 1s4g s GLN 29 N -4.44 1.00 -0.98 4.88 0.00 -0.71 -4.74 119.66 114.67 1s4g s GLN 29 Ca -0.14 0.39 -0.25 0.00 -0.00 0.00 0.00 55.36 55.36 1s4g s GLN 29 Cb 0.05 0.47 -0.17 0.00 0.00 0.00 0.00 33.01 33.36 1s4g s GLN 29 CO 0.73 -0.28 1.95 0.43 0.00 0.00 0.00 175.29 178.12 1s4g n SER 30 N 1.22 2.30 0.10 12.60 7.64 -1.20 -3.66 113.62 132.63 1s4g n SER 30 Ca -0.18 -2.62 -0.04 0.00 1.01 0.00 0.00 58.87 57.04 1s4g n SER 30 Cb 0.57 -1.52 0.06 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.00 0.40 0.00 0.00 2.02 -1.87 -3.44 112.91 110.02 1s4g h THR 33 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1s4g h THR 33 Cb 1.70 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1s4g h THR 33 CO -0.00 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.22 1s4g n ASP 34 N -5.41 0.00 -3.73 4.18 2.03 -0.56 -0.70 116.55 112.36 1s4g n ASP 34 Ca 0.06 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.95 1s4g n ASP 34 Cb 0.31 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.02 3.42 0.32 -0.67 9.36 0.27 -4.45 117.16 125.39 1s4g n TYR 35 Ca 0.00 -2.96 0.12 0.00 3.32 0.00 0.00 57.90 58.38 1s4g n TYR 35 Cb 0.00 -2.48 0.13 0.00 -0.63 0.00 0.00 39.34 36.36 1s4g n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s4g h THR 36 N 3.93 0.00 -0.36 2.97 1.03 -1.80 -3.37 112.91 115.30 1s4g h THR 36 Ca 0.56 -0.80 0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1s4g h THR 36 Cb 0.63 1.47 -0.03 0.00 -1.07 0.00 0.00 68.15 69.15 1s4g h THR 36 CO 1.85 0.00 0.20 0.00 -0.01 0.00 0.00 175.52 177.56 1s4g h ALA 37 N 2.20 0.45 -2.77 0.00 0.00 -1.86 -3.41 119.26 113.88 1s4g h ALA 37 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1s4g h ALA 37 Cb 0.90 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1s4g h ALA 37 CO 0.00 -0.15 -0.26 -1.21 0.00 0.00 0.00 179.25 177.63 1s4g s GLU 38 N -6.16 1.49 -0.18 0.00 0.41 -1.26 -4.98 118.70 108.01 1s4g s GLU 38 Ca -0.13 -1.40 -0.04 0.00 -0.41 0.00 0.00 54.97 52.99 1s4g s GLU 38 Cb 0.11 0.41 0.06 0.00 -1.78 0.00 0.00 34.13 32.94 1s4g s GLU 38 CO 0.72 -0.59 0.08 0.00 -0.49 0.00 0.00 175.26 174.98 1s4g n LYS 40 N 5.23 0.00 -1.54 0.00 2.85 -1.26 -5.11 118.16 118.32 1s4g n LYS 40 Ca -0.07 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.72 1s4g n LYS 40 Cb 0.48 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.81 1s4g n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1s4g n PRO 41 N -0.43 1.61 -3.63 -1.58 -0.04 -1.26 -4.91 135.00 124.76 1s4g n PRO 41 Ca 0.00 0.45 -0.16 0.00 -0.04 0.00 0.00 63.50 63.76 1s4g n PRO 41 Cb 0.00 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 30.51 1s4g n PRO 41 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1s4g s GLN 42 N 6.15 0.87 -0.06 0.54 0.74 -1.26 -5.07 119.66 121.57 1s4g s GLN 42 Ca 1.04 0.10 -0.05 0.00 0.05 0.00 0.00 55.36 56.50 1s4g s GLN 42 Cb -0.58 0.40 -0.19 0.00 1.10 0.00 0.00 33.01 33.74 1s4g s GLN 42 CO 0.42 -0.25 3.30 1.33 -0.55 0.00 0.00 175.29 179.54 1s4g n VAL 43 N 1.19 2.91 -2.11 1.34 0.24 -1.26 -4.81 118.33 115.83 1s4g n VAL 43 Ca -0.20 -1.55 -0.42 0.00 -2.04 0.00 0.00 64.34 60.13 1s4g n VAL 43 Cb 0.57 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 1s4g n VAL 43 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1s4g n THR 44 N 2.15 3.87 1.57 3.34 -1.04 -1.26 -4.41 114.28 118.50 1s4g n THR 44 Ca 0.38 -3.72 0.15 0.00 -2.04 0.00 0.00 64.05 58.82 1s4g n THR 44 Cb 0.82 -2.49 0.66 0.00 -1.82 0.00 0.00 70.33 67.51 1s4g n THR 44 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1s4g n ARG 45 N 5.51 1.02 0.00 -2.82 0.63 -1.24 -4.62 116.66 115.13 1s4g n ARG 45 Ca 0.46 -0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1s4g n ARG 45 Cb 0.39 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.81 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 1.19 2.11 0.30 5.14 0.00 -0.56 -4.53 105.19 108.84 1s4g n GLY 46 Ca 0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1s4g n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1s4g h ASP 47 N 0.00 0.84 0.69 1.61 2.03 -1.95 -3.04 116.42 116.60 1s4g h ASP 47 Ca 0.00 -0.20 -0.03 0.00 -0.73 0.00 0.00 57.03 56.07 1s4g h ASP 47 Cb 0.00 -0.22 0.01 0.00 -0.83 0.00 0.00 39.33 38.28 1s4g h ASP 47 CO 0.00 0.88 -0.33 0.58 -1.03 0.00 0.00 179.24 179.34 1s4g h VAL 48 N 0.82 0.00 -2.64 4.15 2.07 -1.86 -3.47 116.25 115.31 1s4g h VAL 48 Ca 0.16 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1s4g h VAL 48 Cb 0.44 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.08 1s4g h VAL 48 CO 0.02 0.00 0.35 0.72 0.02 0.00 0.00 177.57 178.68 1s4g s PHE 49 N -4.63 -0.41 -0.19 1.57 -0.71 -1.15 -5.01 117.98 107.45 1s4g s PHE 49 Ca -0.13 0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 55.81 1s4g s PHE 49 Cb 0.01 0.56 -0.21 0.00 -1.21 0.00 0.00 43.02 42.18 1s4g s PHE 49 CO 0.40 -0.73 0.21 0.25 -1.34 0.00 0.00 175.22 174.00 1s4g n THR 50 N -0.33 1.61 1.74 -4.49 -2.24 -1.22 -1.50 114.28 107.86 1s4g n THR 50 Ca -0.12 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1s4g n THR 50 Cb 0.63 -1.91 0.83 0.00 -2.10 0.00 0.00 70.33 67.78 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65