#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x n LEU 31 N 0.00 0.00 -0.09 -2.67 4.77 -1.26 -2.26 117.00 115.49 1g1x n LEU 31 Ca 0.00 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1g1x n LEU 31 Cb 0.00 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 40.69 1g1x n LEU 31 CO 0.00 -0.23 -1.11 0.54 -1.33 0.00 0.00 177.39 175.27 1g1x n ARG 32 N -1.25 0.68 -1.62 3.23 1.74 -1.26 -4.28 116.66 113.90 1g1x n ARG 32 Ca 0.01 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.89 1g1x n ARG 32 Cb 0.02 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 1g1x n ARG 32 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1g1x s ASP 33 N -5.63 4.23 0.00 0.55 2.15 -0.96 -4.82 116.67 112.19 1g1x s ASP 33 Ca -0.11 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1g1x s ASP 33 Cb 0.06 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1g1x s ASP 33 CO 0.81 -3.36 0.56 0.00 -0.17 0.00 0.00 175.17 173.01 1g1x n TYR 34 N 17.08 0.00 -0.47 -5.34 0.18 -1.26 -2.86 117.16 124.49 1g1x n TYR 34 Ca 0.41 -0.22 0.00 0.00 1.88 0.00 0.00 57.90 59.98 1g1x n TYR 34 Cb 0.48 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 1g1x n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1g1x n ARG 35 N 0.46 0.19 -1.75 -3.48 1.74 -1.26 -4.21 116.66 108.36 1g1x n ARG 35 Ca 0.00 -0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 1g1x n ARG 35 Cb 0.28 -0.62 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 1g1x n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1g1x n ASN 36 N -0.08 6.52 -0.30 0.55 4.05 -1.14 -4.64 115.26 120.22 1g1x n ASN 36 Ca 0.00 -2.85 0.15 0.00 0.45 0.00 0.00 54.58 52.32 1g1x n ASN 36 Cb 0.12 -1.54 0.31 0.00 1.23 0.00 0.00 39.78 39.90 1g1x n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1g1x h VAL 37 N 3.36 0.29 -0.24 3.44 2.07 -1.89 0.26 116.25 123.53 1g1x h VAL 37 Ca 0.67 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 68.14 1g1x h VAL 37 Cb 0.45 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1g1x h VAL 37 CO 1.73 0.04 -0.15 -0.33 0.02 0.00 0.00 177.57 178.88 1g1x h GLU 38 N 0.20 -0.01 0.05 1.57 4.39 -2.00 0.94 114.58 119.73 1g1x h GLU 38 Ca 0.58 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.28 1g1x h GLU 38 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1g1x h GLU 38 CO -0.67 -0.01 -0.03 -0.24 -1.16 0.00 0.00 179.01 176.91 1g1x h VAL 39 N -0.01 1.27 -0.88 3.13 3.04 -1.51 -3.27 116.25 118.01 1g1x h VAL 39 Ca 0.04 -1.21 0.16 0.00 -1.01 0.00 0.00 66.70 64.68 1g1x h VAL 39 Cb 0.11 2.05 -0.10 0.00 -2.01 0.00 0.00 31.29 31.34 1g1x h VAL 39 CO -0.23 0.30 0.47 -0.07 -1.01 0.00 0.00 177.57 177.02 1g1x h LEU 40 N -0.63 0.56 -0.87 3.16 3.38 -0.40 -0.84 115.31 119.67 1g1x h LEU 40 Ca -0.01 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1g1x h LEU 40 Cb 0.54 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 1g1x h LEU 40 CO 0.01 0.22 -0.38 1.17 0.09 0.00 0.00 178.44 179.55 1g1x n LYS 41 N -4.86 -0.25 -0.30 1.13 4.81 0.32 -1.41 118.16 117.61 1g1x n LYS 41 Ca 0.19 1.34 0.03 0.00 -0.87 0.00 0.00 58.31 58.99 1g1x n LYS 41 Cb 0.48 -1.98 0.08 0.00 0.02 0.00 0.00 35.03 33.63 1g1x n LYS 41 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1g1x n ARG 42 N -5.24 -0.12 0.00 1.64 5.12 -0.32 -0.79 116.66 116.95 1g1x n ARG 42 Ca 0.07 1.26 0.03 0.00 -1.93 0.00 0.00 57.85 57.28 1g1x n ARG 42 Cb 0.32 -1.88 0.17 0.00 -1.16 0.00 0.00 32.46 29.91 1g1x n ARG 42 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1g1x n PHE 43 N -5.28 0.00 -3.88 -1.55 3.01 -0.50 -5.04 117.46 104.22 1g1x n PHE 43 Ca 0.11 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.22 1g1x n PHE 43 Cb 0.38 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 1g1x n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1g1x s LEU 44 N -1.19 4.10 -0.40 4.37 1.43 0.03 -1.89 118.68 125.13 1g1x s LEU 44 Ca 0.08 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 1g1x s LEU 44 Cb 0.04 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1g1x s LEU 44 CO 0.06 0.24 1.02 -0.63 0.23 0.00 0.00 176.35 177.28 1g1x s ILE 50 N -0.04 4.44 0.23 -0.59 1.01 -1.26 -5.06 121.20 119.94 1g1x s ILE 50 Ca 0.09 1.28 -0.31 0.00 0.00 0.00 0.00 60.65 61.71 1g1x s ILE 50 Cb -0.12 -4.44 -0.11 0.00 0.01 0.00 0.00 42.46 37.80 1g1x s ILE 50 CO 0.00 -0.70 1.61 -0.76 0.00 0.00 0.00 174.94 175.10 1g1x s LEU 51 N 3.83 4.36 0.46 2.97 1.43 -0.80 -4.97 118.68 125.97 1g1x s LEU 51 Ca 0.43 2.81 -0.23 0.00 -1.03 0.00 0.00 54.13 56.11 1g1x s LEU 51 Cb -0.10 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1g1x s LEU 51 CO 0.23 -0.89 1.19 -2.16 0.23 0.00 0.00 176.35 174.95 1g1x s PRO 52 N 0.44 3.75 -0.75 1.29 0.04 -1.26 -4.67 135.00 133.84 1g1x s PRO 52 Ca 0.68 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 63.32 1g1x s PRO 52 Cb -0.47 -2.44 -0.15 0.00 0.04 0.00 0.00 34.50 31.47 1g1x s PRO 52 CO 0.38 -0.57 2.41 0.54 0.04 0.00 0.00 177.00 179.80 1g1x n ARG 53 N -0.43 0.57 -2.45 4.56 1.74 -1.26 -4.91 116.66 114.48 1g1x n ARG 53 Ca 0.07 -0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 56.75 1g1x n ARG 53 Cb 0.47 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.46 28.88 1g1x n ARG 53 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1g1x n THR 56 N 7.97 -3.87 0.00 0.55 5.66 -1.26 -4.96 114.28 118.37 1g1x n THR 56 Ca 0.49 0.82 0.00 0.00 -3.05 0.00 0.00 64.05 62.30 1g1x n THR 56 Cb 0.39 -3.09 0.00 0.00 -1.55 0.00 0.00 70.33 66.08 1g1x n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g1x n GLY 57 N 2.11 0.00 3.74 1.09 0.00 -1.26 -4.75 105.19 106.12 1g1x n GLY 57 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1g1x n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g1x s LEU 58 N -0.90 3.57 0.69 0.99 1.43 -1.26 -5.03 118.68 118.18 1g1x s LEU 58 Ca 0.00 2.45 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1g1x s LEU 58 Cb 0.00 -4.60 0.09 0.00 0.03 0.00 0.00 46.19 41.71 1g1x s LEU 58 CO 0.00 -1.83 0.97 -0.94 0.23 0.00 0.00 176.35 174.78 1g1x s SER 59 N -1.63 4.61 0.24 2.29 1.04 -1.26 -4.80 113.70 114.19 1g1x s SER 59 Ca 0.78 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1g1x s SER 59 Cb -0.32 -0.58 0.30 0.00 0.10 0.00 0.00 66.02 65.52 1g1x s SER 59 CO 0.37 -1.68 1.87 1.23 0.98 0.00 0.00 173.24 176.01 1g1x h GLY 60 N -0.49 1.29 1.70 7.32 0.00 -1.96 0.08 103.07 111.01 1g1x h GLY 60 Ca -0.41 -0.41 -0.26 0.00 0.00 0.00 0.00 47.33 46.25 1g1x h GLY 60 CO 0.49 0.32 -1.20 1.70 0.00 0.00 0.00 176.54 177.85 1g1x h LYS 61 N 1.05 0.21 0.45 4.80 3.64 -2.03 -3.33 116.57 121.36 1g1x h LYS 61 Ca 0.36 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1g1x h LYS 61 Cb 0.08 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1g1x h LYS 61 CO -0.14 1.16 -0.22 0.93 -2.27 0.00 0.00 179.45 178.91 1g1x h GLU 62 N 0.06 -0.59 0.00 1.90 5.08 -1.87 -3.36 114.58 115.80 1g1x h GLU 62 Ca -0.11 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1g1x h GLU 62 Cb 1.93 0.13 0.03 0.00 0.50 0.00 0.00 28.75 31.34 1g1x h GLU 62 CO 0.19 -0.30 -0.02 0.94 -1.00 0.00 0.00 179.01 178.81 1g1x n GLN 63 N -5.27 -0.00 0.00 2.33 -0.06 -0.01 -1.73 117.38 112.63 1g1x n GLN 63 Ca -0.11 -0.19 0.00 0.00 -2.00 0.00 0.00 57.00 54.70 1g1x n GLN 63 Cb 0.29 -0.43 0.00 0.00 -4.06 0.00 0.00 30.24 26.04 1g1x n GLN 63 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1g1x n ARG 64 N -0.75 0.00 -0.12 3.69 0.00 -1.26 -3.40 116.66 114.81 1g1x n ARG 64 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.81 1g1x n ARG 64 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.57 1g1x n ARG 64 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1g1x h ILE 65 N 0.00 0.87 0.00 5.15 2.04 -1.58 0.88 117.51 124.88 1g1x h ILE 65 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1g1x h ILE 65 Cb 0.00 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1g1x h ILE 65 CO 0.00 0.05 0.00 -0.11 0.00 0.00 0.00 178.15 178.09 1g1x n LEU 66 N -5.02 0.00 -0.14 1.44 7.94 -0.71 -1.98 117.00 118.53 1g1x n LEU 66 Ca 0.02 0.65 0.09 0.00 -1.11 0.00 0.00 56.01 55.66 1g1x n LEU 66 Cb 0.15 -0.15 0.17 0.00 0.53 0.00 0.00 43.42 44.12 1g1x n LEU 66 CO 0.26 -0.15 0.37 0.00 -1.11 0.00 0.00 177.39 176.77 1g1x n ALA 67 N -1.32 0.30 -0.06 1.96 0.00 -0.87 0.26 120.51 120.78 1g1x n ALA 67 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1g1x n ALA 67 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1g1x n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1g1x h LYS 68 N 0.00 0.80 0.52 0.00 3.64 -0.34 0.13 116.57 121.32 1g1x h LYS 68 Ca 0.29 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1g1x h LYS 68 Cb 0.69 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1g1x h LYS 68 CO -0.36 1.13 -0.34 1.15 -2.27 0.00 0.00 179.45 178.76 1g1x h THR 69 N 0.62 0.00 -1.10 1.00 2.02 0.42 -1.13 112.91 114.75 1g1x h THR 69 Ca 0.02 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.56 1g1x h THR 69 Cb 1.12 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.39 1g1x h THR 69 CO 0.11 0.00 0.66 0.40 0.37 0.00 0.00 175.52 177.07 1g1x h ILE 70 N -0.81 0.25 0.00 3.11 2.04 -1.13 0.88 117.51 121.84 1g1x h ILE 70 Ca -0.07 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1g1x h ILE 70 Cb 0.66 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1g1x h ILE 70 CO 0.06 0.04 0.00 0.11 0.00 0.00 0.00 178.15 178.36 1g1x h LYS 71 N 0.23 0.00 0.08 2.37 1.57 -0.34 -2.15 116.57 118.33 1g1x h LYS 71 Ca 0.75 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 59.23 1g1x h LYS 71 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 1g1x h LYS 71 CO -0.53 0.00 -1.65 0.00 -0.57 0.00 0.00 179.45 176.70 1g1x h ARG 72 N 0.00 0.18 -0.04 3.15 3.08 0.20 -3.29 114.38 117.66 1g1x h ARG 72 Ca 0.00 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.78 1g1x h ARG 72 Cb 0.69 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 1g1x h ARG 72 CO 0.00 1.14 -0.18 0.00 -1.07 0.00 0.00 179.97 179.86 1g1x h ALA 73 N -0.14 -0.19 -0.73 0.04 0.00 -0.89 -2.51 119.26 114.83 1g1x h ALA 73 Ca -0.38 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.71 1g1x h ALA 73 Cb 1.75 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 19.73 1g1x h ALA 73 CO -0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 179.25 178.47 1g1x h ARG 74 N -0.28 0.04 -0.99 0.00 3.08 -1.53 0.24 114.38 114.95 1g1x h ARG 74 Ca 0.07 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1g1x h ARG 74 Cb 0.37 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1g1x h ARG 74 CO -0.20 0.03 0.66 0.82 -1.07 0.00 0.00 179.97 180.20 1g1x h ILE 75 N 0.04 1.24 0.00 2.04 2.04 -1.52 0.63 117.51 121.97 1g1x h ILE 75 Ca 0.37 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1g1x h ILE 75 Cb 0.61 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1g1x h ILE 75 CO -0.70 0.24 0.00 0.18 0.00 0.00 0.00 178.15 177.87 1g1x n LEU 76 N -4.41 0.00 0.00 1.44 4.77 0.79 -4.75 117.00 114.84 1g1x n LEU 76 Ca 0.12 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1g1x n LEU 76 Cb 0.03 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1g1x n LEU 76 CO 0.36 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1g1x n GLY 77 N -0.69 0.91 0.14 -0.72 0.00 0.22 -4.90 105.19 100.15 1g1x n GLY 77 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1g1x n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g1x h LEU 78 N 0.00 -0.22-10.08 0.99 3.38 -1.50 -3.44 115.31 104.44 1g1x h LEU 78 Ca 0.00 -0.18 -0.48 0.00 0.09 0.00 0.00 57.88 57.31 1g1x h LEU 78 Cb 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1g1x h LEU 78 CO 0.00 0.06 -0.44 -0.76 0.09 0.00 0.00 178.44 177.39 1g1x s LEU 79 N -9.69 3.73 0.03 1.67 1.43 -1.23 -4.92 118.68 109.70 1g1x s LEU 79 Ca -0.15 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1g1x s LEU 79 Cb 0.03 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1g1x s LEU 79 CO 0.61 -0.31 0.33 -2.16 0.23 0.00 0.00 176.35 175.05 1g1x s PRO 80 N -4.01 3.68 -0.11 1.29 0.04 -1.26 -4.18 135.00 130.46 1g1x s PRO 80 Ca 0.40 0.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.24 1g1x s PRO 80 Cb -0.07 -3.07 -0.25 0.00 0.04 0.00 0.00 34.50 31.16 1g1x s PRO 80 CO 0.27 0.62 0.90 0.74 0.04 0.00 0.00 177.00 179.58 1g1x h PHE 81 N 4.00 0.03 0.00 0.56 -1.00 -1.99 -3.49 116.94 115.05 1g1x h PHE 81 Ca -0.50 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1g1x h PHE 81 Cb 1.20 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1g1x h PHE 81 CO 0.68 0.89 0.00 -2.37 -1.61 0.00 0.00 178.31 175.90