#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u s SER 2 N 0.00 3.94 0.79 6.12 0.01 -1.26 -5.03 113.70 118.27 2g0u s SER 2 Ca 0.00 2.09 -0.14 0.00 1.31 0.00 0.00 55.95 59.21 2g0u s SER 2 Cb 0.00 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.75 2g0u s SER 2 CO 0.00 -2.42 1.21 0.54 0.41 0.00 0.00 173.24 172.98 2g0u s ASN 3 N -2.74 3.74 0.81 2.44 4.22 -1.26 -5.04 114.94 117.11 2g0u s ASN 3 Ca 0.67 2.37 -0.11 0.00 -2.14 0.00 0.00 52.86 53.65 2g0u s ASN 3 Cb -0.22 -2.59 0.07 0.00 1.28 0.00 0.00 41.25 39.79 2g0u s ASN 3 CO 0.53 -2.57 1.09 -2.16 -2.04 0.00 0.00 177.10 171.95 2g0u s PRO 4 N -4.07 2.01 0.95 3.55 0.04 -1.26 -5.06 135.00 131.15 2g0u s PRO 4 Ca 0.74 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2g0u s PRO 4 Cb -0.29 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.52 2g0u s PRO 4 CO 0.49 -1.73 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 2g0u s PRO 5 N -5.01 0.81 0.08 0.56 0.04 -1.26 -5.11 135.00 125.12 2g0u s PRO 5 Ca 0.61 0.60 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2g0u s PRO 5 Cb -0.16 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2g0u s PRO 5 CO 0.56 -2.49 -0.06 0.95 0.04 0.00 0.00 177.00 176.00 2g0u s THR 6 N -2.99 0.56 0.74 1.26 -4.23 -1.26 -5.16 115.64 104.56 2g0u s THR 6 Ca 0.64 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.17 2g0u s THR 6 Cb -0.18 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 2g0u s THR 6 CO 0.57 -0.86 0.66 -2.65 -0.54 0.00 0.00 174.62 171.79 2g0u n PRO 7 N 0.13 0.31 -4.28 3.99 -0.02 -1.26 -5.06 135.00 128.81 2g0u n PRO 7 Ca -0.14 0.15 -0.18 0.00 -2.02 0.00 0.00 63.50 61.32 2g0u n PRO 7 Cb 0.60 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 32.04 2g0u n PRO 7 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2g0u s LEU 8 N -1.21 1.58 -0.45 2.45 1.43 -1.26 -5.10 118.68 116.12 2g0u s LEU 8 Ca 0.67 -1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 51.88 2g0u s LEU 8 Cb -0.34 0.42 -0.06 0.00 0.03 0.00 0.00 46.19 46.25 2g0u s LEU 8 CO 0.56 -0.97 2.32 -0.22 0.23 0.00 0.00 176.35 178.27 2g0u s LEU 9 N -3.32 3.41 0.30 1.79 2.96 -1.26 -4.85 118.68 117.70 2g0u s LEU 9 Ca 0.39 1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 55.31 2g0u s LEU 9 Cb 0.04 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 44.04 2g0u s LEU 9 CO 0.21 -2.66 0.64 0.00 -1.32 0.00 0.00 176.35 173.22 2g0u s ALA 10 N 11.18 -0.60 0.55 5.97 0.00 -1.26 -5.07 121.76 132.53 2g0u s ALA 10 Ca 0.95 -0.71 0.25 0.00 0.00 0.00 0.00 51.96 52.45 2g0u s ALA 10 Cb -0.20 0.91 1.44 0.00 0.00 0.00 0.00 23.12 25.28 2g0u s ALA 10 CO 0.27 -0.95 2.03 0.22 0.00 0.00 0.00 175.76 177.33 2g0u h ASP 11 N 2.09 0.00 0.24 0.00 3.58 -2.07 -1.89 116.42 118.37 2g0u h ASP 11 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2g0u h ASP 11 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2g0u h ASP 11 CO 0.32 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 2g0u n TYR 12 N -4.23 0.00 0.32 0.28 0.18 -1.26 -4.30 117.16 108.15 2g0u n TYR 12 Ca 0.06 0.00 0.18 0.00 1.88 0.00 0.00 57.90 60.02 2g0u n TYR 12 Cb 0.50 -0.24 0.94 0.00 -0.38 0.00 0.00 39.34 40.15 2g0u n TYR 12 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 2g0u h GLU 13 N 0.00 0.00 0.00 -3.48 4.11 -1.67 -3.18 114.58 110.36 2g0u h GLU 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2g0u h GLU 13 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2g0u h GLU 13 CO 0.00 0.00 -0.16 -2.67 0.07 0.00 0.00 179.01 176.25 2g0u n TRP 14 N -3.05 0.00 0.03 2.06 4.27 -1.26 -4.88 117.44 114.62 2g0u n TRP 14 Ca -0.02 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.65 2g0u n TRP 14 Cb 0.29 0.00 0.47 0.00 -1.36 0.00 0.00 31.31 30.71 2g0u n TRP 14 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 2g0u h SER 15 N 0.00 0.38 0.70 -0.67 0.02 -1.79 -2.48 113.55 109.71 2g0u h SER 15 Ca 0.00 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2g0u h SER 15 Cb 0.00 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2g0u h SER 15 CO 0.00 0.27 -0.73 1.23 -1.14 0.00 0.00 176.83 176.45 2g0u h GLY 16 N 0.44 0.03 0.88 -3.77 0.00 -1.90 -3.35 103.07 95.40 2g0u h GLY 16 Ca 0.15 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.52 2g0u h GLY 16 CO -0.03 0.04 0.51 -1.82 0.00 0.00 0.00 176.54 175.24 2g0u h TYR 17 N 0.02 0.80 0.00 5.60 3.20 -1.79 0.88 116.97 125.67 2g0u h TYR 17 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2g0u h TYR 17 Cb 1.30 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2g0u h TYR 17 CO 0.00 0.38 0.00 1.28 -1.64 0.00 0.00 178.16 178.19 2g0u n LEU 18 N -4.50 0.41 -0.02 2.82 7.99 -1.26 -2.92 117.00 119.53 2g0u n LEU 18 Ca 0.13 0.63 -0.02 0.00 -0.01 0.00 0.00 56.01 56.74 2g0u n LEU 18 Cb 0.30 -0.61 -0.03 0.00 -0.11 0.00 0.00 43.42 42.97 2g0u n LEU 18 CO 0.32 -0.58 -0.61 0.41 -1.51 0.00 0.00 177.39 175.42 2g0u n THR 19 N -1.98 0.23 -0.31 -5.08 -1.04 -0.41 -4.67 114.28 101.01 2g0u n THR 19 Ca 0.01 -0.15 0.17 0.00 -2.04 0.00 0.00 64.05 62.05 2g0u n THR 19 Cb 0.14 -0.83 0.43 0.00 -1.82 0.00 0.00 70.33 68.24 2g0u n THR 19 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2g0u h GLY 20 N 0.70 1.35 1.31 3.41 0.00 -0.76 0.03 103.07 109.10 2g0u h GLY 20 Ca -0.09 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.06 2g0u h GLY 20 CO 0.00 -0.06 0.26 1.19 0.00 0.00 0.00 176.54 177.93 2g0u h ILE 21 N 0.56 0.59 0.00 2.60 6.09 -1.81 -1.36 117.51 124.18 2g0u h ILE 21 Ca 0.55 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 63.68 2g0u h ILE 21 Cb 1.14 0.80 -0.06 0.00 0.47 0.00 0.00 36.82 39.17 2g0u h ILE 21 CO -0.29 0.00 -2.36 0.61 -3.07 0.00 0.00 178.15 173.04 2g0u n GLY 22 N -1.50 -0.44 0.28 8.18 0.00 -0.30 -4.42 105.19 106.98 2g0u n GLY 22 Ca 0.04 -0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.06 2g0u n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2g0u h ARG 23 N 0.00 0.00 0.00 1.61 9.65 -0.85 -1.99 114.38 122.80 2g0u h ARG 23 Ca -0.53 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2g0u h ARG 23 Cb 1.89 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.47 2g0u h ARG 23 CO -0.06 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.71 2g0u n ALA 24 N -1.97 1.15 1.33 2.80 0.00 -0.53 -0.98 120.51 122.31 2g0u n ALA 24 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2g0u n ALA 24 Cb 0.06 -1.09 0.68 0.00 0.00 0.00 0.00 19.45 19.09 2g0u n ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2g0u n PHE 25 N -1.62 0.00 0.00 0.00 3.72 -0.75 -4.06 117.46 114.76 2g0u n PHE 25 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2g0u n PHE 25 Cb 0.04 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 2g0u n PHE 25 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2g0u n ASP 26 N -1.19 3.03 0.21 4.37 8.00 -0.15 -4.89 116.55 125.93 2g0u n ASP 26 Ca 0.14 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.82 2g0u n ASP 26 Cb 0.16 0.56 0.84 0.00 -0.02 0.00 0.00 41.12 42.66 2g0u n ASP 26 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2g0u h ASP 27 N 0.00 0.00 0.57 -2.24 2.03 -1.60 0.73 116.42 115.92 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2g0u h ASP 27 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2g0u n GLY 28 N -1.38 -1.11 0.00 7.15 0.00 -1.26 -3.51 105.19 105.08 2g0u n GLY 28 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2g0u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g0u n VAL 29 N -1.92 0.00 0.34 1.61 0.31 -0.12 -4.70 118.33 113.84 2g0u n VAL 29 Ca 0.02 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.52 2g0u n VAL 29 Cb 0.19 -0.30 0.91 0.00 -0.91 0.00 0.00 33.84 33.72 2g0u n VAL 29 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2g0u h LYS 30 N 0.00 0.00 -1.01 5.55 3.11 -1.07 -2.22 116.57 120.93 2g0u h LYS 30 Ca 0.00 0.00 0.32 0.00 -2.81 0.00 0.00 60.65 58.16 2g0u h LYS 30 Cb 0.33 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.42 2g0u h LYS 30 CO 0.00 0.00 0.58 0.22 -2.81 0.00 0.00 179.45 177.44 2g0u h ASP 31 N 0.00 0.52 0.03 4.20 3.58 -1.81 0.25 116.42 123.19 2g0u h ASP 31 Ca 0.00 0.18 -0.24 0.00 0.42 0.00 0.00 57.03 57.39 2g0u h ASP 31 Cb 0.53 0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.72 2g0u h ASP 31 CO -0.00 -0.11 -0.97 0.25 -2.88 0.00 0.00 179.24 175.53 2g0u h LEU 32 N 0.34 0.81 -1.40 2.28 6.46 -1.76 -2.87 115.31 119.16 2g0u h LEU 32 Ca 0.73 -0.77 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 2g0u h LEU 32 Cb 1.67 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 2g0u h LEU 32 CO -0.58 1.47 0.06 -1.13 -0.62 0.00 0.00 178.44 177.65 2g0u h ASN 33 N 0.23 0.42 -0.13 1.25 -0.73 -1.40 -1.38 115.58 113.84 2g0u h ASN 33 Ca -0.13 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 2g0u h ASN 33 Cb 1.65 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 40.12 2g0u h ASN 33 CO 0.19 0.44 0.07 0.50 -0.37 0.00 0.00 177.43 178.27 2g0u h LYS 34 N 0.46 0.18 -0.89 6.67 3.11 -0.58 -0.45 116.57 125.07 2g0u h LYS 34 Ca 0.11 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.99 2g0u h LYS 34 Cb 0.20 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.34 2g0u h LYS 34 CO -0.00 0.19 0.58 1.96 -2.81 0.00 0.00 179.45 179.37 2g0u h GLN 35 N 0.12 0.99 -0.13 1.90 4.20 -1.15 0.15 115.11 121.20 2g0u h GLN 35 Ca 0.05 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.47 2g0u h GLN 35 Cb 0.06 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.63 2g0u h GLN 35 CO -0.01 0.66 -0.80 1.25 -0.67 0.00 0.00 178.83 179.26 2g0u h LEU 36 N 1.02 0.87 -1.24 1.46 5.85 -1.10 -0.52 115.31 121.66 2g0u h LEU 36 Ca 0.38 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2g0u h LEU 36 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2g0u h LEU 36 CO -0.14 1.38 -0.21 1.56 -0.34 0.00 0.00 178.44 180.69 2g0u h GLN 37 N 0.49 0.26 -0.50 1.25 4.20 -0.67 0.41 115.11 120.55 2g0u h GLN 37 Ca -0.06 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 2g0u h GLN 37 Cb 1.42 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 2g0u h GLN 37 CO 0.16 0.47 0.06 0.22 -0.67 0.00 0.00 178.83 179.07 2g0u h ASP 38 N 0.24 0.82 -0.36 1.46 1.82 -0.60 0.28 116.42 120.08 2g0u h ASP 38 Ca 0.04 -0.27 0.02 0.00 -0.39 0.00 0.00 57.03 56.43 2g0u h ASP 38 Cb 0.51 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 2g0u h ASP 38 CO 0.03 0.89 0.19 0.00 -1.61 0.00 0.00 179.24 178.75 2g0u h ALA 39 N 0.96 0.45 0.00 -0.78 0.00 -0.73 -1.19 119.26 117.98 2g0u h ALA 39 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2g0u h ALA 39 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2g0u h ALA 39 CO 0.01 -0.17 -0.15 0.37 0.00 0.00 0.00 179.25 179.32 2g0u h GLN 40 N 0.40 0.00 0.19 0.00 4.15 -0.67 0.83 115.11 120.01 2g0u h GLN 40 Ca 0.15 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.26 2g0u h GLN 40 Cb 0.04 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.75 2g0u h GLN 40 CO -0.09 0.15 -1.38 0.00 -1.93 0.00 0.00 178.83 175.58 2g0u h ALA 41 N 1.85 -0.03 -0.40 3.38 0.00 -0.56 0.43 119.26 123.92 2g0u h ALA 41 Ca -0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 2g0u h ALA 41 Cb 0.44 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2g0u h ALA 41 CO 0.02 0.84 0.10 -0.91 0.00 0.00 0.00 179.25 179.30 2g0u h ASN 42 N 0.11 0.54 0.05 0.00 2.35 -0.83 -0.87 115.58 116.94 2g0u h ASN 42 Ca -0.20 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 2g0u h ASN 42 Cb 2.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.30 2g0u h ASN 42 CO 0.24 0.55 -0.46 0.25 -1.65 0.00 0.00 177.43 176.35 2g0u h LEU 43 N 0.58 0.53 -0.86 1.61 5.85 -0.87 -3.09 115.31 119.06 2g0u h LEU 43 Ca 0.14 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 43 Cb 0.22 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2g0u h LEU 43 CO -0.00 0.92 0.11 0.74 -0.34 0.00 0.00 178.44 179.86 2g0u h THR 44 N 0.40 1.25 -0.08 1.05 2.02 0.98 0.21 112.91 118.74 2g0u h THR 44 Ca 0.02 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 2g0u h THR 44 Cb 0.96 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2g0u h THR 44 CO 0.08 0.35 -0.05 0.11 0.37 0.00 0.00 175.52 176.39 2g0u h LYS 45 N 0.91 0.11 -1.65 6.66 1.57 -1.20 -3.37 116.57 119.59 2g0u h LYS 45 Ca 0.19 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.68 2g0u h LYS 45 Cb 0.38 -0.02 -0.27 0.00 0.08 0.00 0.00 32.23 32.40 2g0u h LYS 45 CO 0.01 0.17 -0.61 1.21 -0.57 0.00 0.00 179.45 179.66 2g0u s ASN 46 N -6.97 0.31 0.61 0.86 3.84 -0.78 -5.07 114.94 107.75 2g0u s ASN 46 Ca -0.05 -1.30 0.27 0.00 0.21 0.00 0.00 52.86 51.99 2g0u s ASN 46 Cb 0.16 1.01 1.31 0.00 -0.55 0.00 0.00 41.25 43.17 2g0u s ASN 46 CO 0.70 -0.23 1.72 -0.65 -2.79 0.00 0.00 177.10 175.85 2g0u h PRO 47 N 7.08 0.00 0.00 0.43 0.11 -0.79 -0.59 132.00 138.24 2g0u h PRO 47 Ca 0.05 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2g0u h PRO 47 Cb 1.10 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 2g0u h PRO 47 CO 0.17 0.00 -0.73 -1.13 -0.21 0.00 0.00 178.00 176.10 2g0u n SER 48 N -3.42 1.34 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.05 2g0u n SER 48 Ca 0.10 -2.93 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 2g0u n SER 48 Cb 0.83 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g0u s ASP 49 N -2.57 6.45 0.43 4.04 -1.08 -0.23 -4.90 116.67 118.80 2g0u s ASP 49 Ca 0.35 2.71 0.22 0.00 -0.52 0.00 0.00 52.55 55.31 2g0u s ASP 49 Cb 0.36 -2.57 0.88 0.00 -1.46 0.00 0.00 42.92 40.14 2g0u s ASP 49 CO -0.11 -0.98 1.82 1.55 0.52 0.00 0.00 175.17 177.96 2g0u h PRO 50 N 8.51 0.00 0.17 4.34 0.13 -1.96 0.13 132.00 143.31 2g0u h PRO 50 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2g0u h PRO 50 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 2g0u h PRO 50 CO 0.94 0.27 -1.23 1.15 -0.23 0.00 0.00 178.00 178.90 2g0u h THR 51 N 0.00 1.32 -0.82 1.56 2.02 -1.97 0.85 112.91 115.87 2g0u h THR 51 Ca -0.00 -2.53 0.07 0.00 0.77 0.00 0.00 66.41 64.72 2g0u h THR 51 Cb 0.76 2.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.99 2g0u h THR 51 CO 0.03 0.76 0.49 0.00 0.37 0.00 0.00 175.52 177.17 2g0u h ALA 52 N 0.21 1.14 0.12 6.16 0.00 -1.83 0.20 119.26 125.26 2g0u h ALA 52 Ca -0.20 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 2g0u h ALA 52 Cb 1.94 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2g0u h ALA 52 CO 0.23 0.19 -1.22 1.25 0.00 0.00 0.00 179.25 179.70 2g0u h LEU 53 N 0.88 0.46 -0.71 0.00 5.85 -0.80 0.27 115.31 121.27 2g0u h LEU 53 Ca 0.37 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2g0u h LEU 53 Cb 0.23 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2g0u h LEU 53 CO -0.19 1.36 0.38 0.00 -0.34 0.00 0.00 178.44 179.65 2g0u h ALA 54 N 0.57 0.91 0.24 1.25 0.00 -0.68 0.95 119.26 122.50 2g0u h ALA 54 Ca -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2g0u h ALA 54 CO 0.20 0.43 -0.12 -0.97 0.00 0.00 0.00 179.25 178.80 2g0u h ASN 55 N 0.97 -0.28 -0.59 0.00 -1.24 -0.50 0.15 115.58 114.10 2g0u h ASN 55 Ca 0.25 -0.17 0.08 0.00 0.71 0.00 0.00 56.30 57.17 2g0u h ASN 55 Cb 0.05 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.11 2g0u h ASN 55 CO -0.04 0.02 0.23 0.22 -1.29 0.00 0.00 177.43 176.57 2g0u h TYR 56 N -0.59 0.40 -0.55 0.67 3.20 -0.93 0.20 116.97 119.37 2g0u h TYR 56 Ca -0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 56 Cb 0.43 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.12 0.04 1.96 -1.64 0.00 0.00 178.16 178.65 2g0u h GLN 57 N 0.42 0.90 -0.17 1.82 1.08 -0.68 0.17 115.11 118.65 2g0u h GLN 57 Ca 0.29 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2g0u h GLN 57 Cb 0.33 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.28 0.87 -0.09 1.98 -0.95 0.00 0.00 178.83 180.36 2g0u h MET 58 N 0.85 0.36 -0.23 1.46 4.05 -0.55 -0.26 114.93 120.61 2g0u h MET 58 Ca 0.17 -0.16 -0.13 0.00 -0.28 0.00 0.00 59.70 59.30 2g0u h MET 58 Cb 0.44 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2g0u h MET 58 CO 0.02 0.68 -0.40 0.82 0.23 0.00 0.00 176.91 178.26 2g0u h ILE 59 N 0.03 1.30 -0.11 1.77 2.04 -0.92 -2.57 117.51 119.05 2g0u h ILE 59 Ca 0.04 -1.55 -0.09 0.00 1.00 0.00 0.00 64.86 64.25 2g0u h ILE 59 Cb 0.58 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2g0u h ILE 59 CO 0.03 0.49 -0.34 -0.03 0.00 0.00 0.00 178.15 178.29 2g0u h MET 60 N 0.44 0.22 -0.70 2.37 4.05 -0.62 0.13 114.93 120.82 2g0u h MET 60 Ca 0.04 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2g0u h MET 60 Cb 0.88 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 2g0u h MET 60 CO 0.08 0.54 0.35 0.77 0.23 0.00 0.00 176.91 178.88 2g0u h SER 61 N 0.19 0.91 -0.37 1.39 0.02 -0.77 0.13 113.55 115.05 2g0u h SER 61 Ca 0.02 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2g0u h SER 61 Cb 0.70 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2g0u h SER 61 CO 0.05 0.78 -0.19 -0.33 -1.14 0.00 0.00 176.83 176.00 2g0u h GLU 62 N 0.98 0.78 -0.47 3.45 5.08 -1.06 -2.52 114.58 120.82 2g0u h GLU 62 Ca 0.24 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2g0u h GLU 62 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2g0u h GLU 62 CO -0.03 0.97 0.21 -0.92 -1.00 0.00 0.00 179.01 178.24 2g0u h TYR 63 N 0.58 0.69 -0.24 4.33 3.20 -0.61 -1.46 116.97 123.46 2g0u h TYR 63 Ca 0.08 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 63 Cb 0.73 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2g0u h TYR 63 CO 0.06 0.56 -0.32 -0.97 -1.64 0.00 0.00 178.16 175.85 2g0u h ASN 64 N 0.61 0.51 -0.32 -2.11 -0.73 -0.79 -0.44 115.58 112.32 2g0u h ASN 64 Ca 0.16 -0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 2g0u h ASN 64 Cb 0.14 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2g0u h ASN 64 CO -0.02 0.80 0.11 0.25 -0.37 0.00 0.00 177.43 178.21 2g0u h LEU 65 N 0.43 0.45 -0.67 0.34 6.46 -1.30 -1.13 115.31 119.90 2g0u h LEU 65 Ca 0.05 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.70 2g0u h LEU 65 Cb 0.77 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.51 2g0u h LEU 65 CO 0.06 0.52 0.33 0.22 -0.62 0.00 0.00 178.44 178.95 2g0u h TYR 66 N 0.36 0.60 -0.64 1.25 3.20 -0.99 0.41 116.97 121.16 2g0u h TYR 66 Ca 0.10 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2g0u h TYR 66 Cb 0.22 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2g0u h TYR 66 CO 0.00 0.24 0.38 -0.09 -1.64 0.00 0.00 178.16 177.05 2g0u h ARG 67 N 0.59 0.71 -0.08 1.82 9.65 -0.80 -0.46 114.38 125.81 2g0u h ARG 67 Ca 0.32 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 59.04 2g0u h ARG 67 Cb 0.29 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2g0u h ARG 67 CO -0.24 0.47 -0.46 -0.91 2.80 0.00 0.00 179.97 181.63 2g0u h ASN 68 N 0.73 0.22 0.08 -3.80 2.35 -0.82 -2.83 115.58 111.51 2g0u h ASN 68 Ca 0.27 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 2g0u h ASN 68 Cb 0.08 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2g0u h ASN 68 CO -0.13 0.65 -0.45 0.00 -1.65 0.00 0.00 177.43 175.85 2g0u h ALA 69 N 1.36 0.88 -0.53 -0.83 0.00 -0.28 -0.36 119.26 119.51 2g0u h ALA 69 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2g0u h ALA 69 Cb 0.88 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2g0u h ALA 69 CO 0.07 0.65 0.19 0.37 0.00 0.00 0.00 179.25 180.53 2g0u h GLN 70 N 0.36 0.77 -0.27 0.00 5.75 -1.02 -2.24 115.11 118.46 2g0u h GLN 70 Ca 0.02 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.27 2g0u h GLN 70 Cb 0.94 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2g0u h GLN 70 CO 0.08 0.65 -0.39 0.77 -2.65 0.00 0.00 178.83 177.29 2g0u h SER 71 N 0.75 0.66 0.32 -0.69 0.02 -1.24 -3.20 113.55 110.18 2g0u h SER 71 Ca 0.18 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2g0u h SER 71 Cb 0.18 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2g0u h SER 71 CO -0.01 0.98 -0.11 0.28 -1.14 0.00 0.00 176.83 176.82 2g0u h SER 72 N 0.52 0.00 0.13 3.07 0.02 -0.51 -1.26 113.55 115.51 2g0u h SER 72 Ca 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2g0u h SER 72 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2g0u h SER 72 CO 0.08 0.11 -0.10 0.00 -1.14 0.00 0.00 176.83 175.78 2g0u h ALA 73 N 1.89 1.72 0.16 3.77 0.00 -1.41 -1.14 119.26 124.24 2g0u h ALA 73 Ca -0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2g0u h ALA 73 Cb 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.11 2g0u h ALA 73 CO 0.01 0.13 -1.12 0.28 0.00 0.00 0.00 179.25 178.55 2g0u h VAL 74 N 0.00 1.36 -0.53 0.00 2.07 -1.38 -3.29 116.25 114.48 2g0u h VAL 74 Ca -0.00 -2.51 0.08 0.00 0.82 0.00 0.00 66.70 65.09 2g0u h VAL 74 Cb 0.19 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 2g0u h VAL 74 CO 0.01 0.74 0.35 0.11 0.02 0.00 0.00 177.57 178.81 2g0u h LYS 75 N 0.01 0.38 0.00 1.57 1.57 -1.11 -1.69 116.57 117.29 2g0u h LYS 75 Ca -0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2g0u h LYS 75 Cb 1.85 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2g0u h LYS 75 CO 0.21 0.25 0.00 0.43 -0.57 0.00 0.00 179.45 179.77 2g0u n SER 76 N -4.47 0.00 0.06 0.86 7.64 -0.46 -3.69 113.62 113.56 2g0u n SER 76 Ca 0.08 0.08 0.20 0.00 1.01 0.00 0.00 58.87 60.23 2g0u n SER 76 Cb 0.31 -0.22 0.73 0.00 -1.01 0.00 0.00 64.21 64.02 2g0u n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u h MET 77 N 0.00 0.00 -0.16 1.43 -0.00 -1.46 -0.52 114.93 114.23 2g0u h MET 77 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 2g0u h MET 77 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 2g0u h MET 77 CO 0.00 0.00 -0.17 0.87 -0.00 0.00 0.00 176.91 177.61 2g0u h LYS 78 N 0.00 0.26 0.08 -0.10 1.57 -1.84 -0.64 116.57 115.90 2g0u h LYS 78 Ca 0.21 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.65 2g0u h LYS 78 Cb 0.95 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.25 2g0u h LYS 78 CO -0.00 0.43 -1.14 -0.44 -0.57 0.00 0.00 179.45 177.73 2g0u h ASP 79 N 0.24 0.71 -0.81 0.86 3.32 -1.40 -3.30 116.42 116.05 2g0u h ASP 79 Ca 0.05 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2g0u h ASP 79 Cb 0.44 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2g0u h ASP 79 CO 0.03 1.45 0.47 0.40 -1.72 0.00 0.00 179.24 179.87 2g0u h ILE 80 N 0.24 1.23 -0.09 0.35 1.08 -1.21 -2.76 117.51 116.36 2g0u h ILE 80 Ca -0.14 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2g0u h ILE 80 Cb 1.81 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2g0u h ILE 80 CO 0.21 0.25 0.13 -0.78 -0.69 0.00 0.00 178.15 177.27 2g0u h ASP 81 N 1.11 0.00 0.90 1.72 3.58 -1.19 0.38 116.42 122.93 2g0u h ASP 81 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2g0u h ASP 81 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2g0u h ASP 81 CO -0.05 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.11 2g0u n SER 82 N -3.56 0.34 0.00 2.28 7.64 -1.04 -4.16 113.62 115.12 2g0u n SER 82 Ca -0.01 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2g0u n SER 82 Cb 0.23 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2g0u n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2g0u n SER 83 N -1.85 0.06 0.20 6.43 7.64 -0.24 -4.87 113.62 120.98 2g0u n SER 83 Ca 0.05 -0.45 0.12 0.00 1.01 0.00 0.00 58.87 59.60 2g0u n SER 83 Cb 0.29 0.08 0.66 0.00 -1.01 0.00 0.00 64.21 64.23 2g0u n SER 83 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2g0u h ILE 84 N 0.35 0.00 0.00 0.44 6.09 -1.16 -1.93 117.51 121.30 2g0u h ILE 84 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2g0u h ILE 84 Cb 0.17 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.00 2g0u h ILE 84 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 2g0u n LEU 85 N -2.39 0.04 -4.27 2.19 4.77 -1.26 -4.79 117.00 111.30 2g0u n LEU 85 Ca -0.02 0.51 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2g0u n LEU 85 Cb 0.11 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2g0u n LEU 85 CO 0.11 -0.42 -0.31 -1.61 -1.33 0.00 0.00 177.39 173.83 2g0u s GLU 86 N -3.03 1.20 0.00 3.23 0.41 -0.73 -5.08 118.70 114.71 2g0u s GLU 86 Ca 0.03 -1.60 0.00 0.00 -0.41 0.00 0.00 54.97 52.99 2g0u s GLU 86 Cb 0.04 -0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.10 2g0u s GLU 86 CO 0.13 -0.17 0.00 1.58 -0.49 0.00 0.00 175.26 176.31 2g0u n HIS 87 N -0.31 -1.27 -3.51 1.61 -0.00 -1.26 -5.04 115.22 105.43 2g0u n HIS 87 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.55 2g0u n HIS 87 Cb 0.64 0.47 -0.04 0.00 -0.00 0.00 0.00 29.99 31.06 2g0u n HIS 87 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2g0u s HIS 88 N -1.94 -0.48 -0.58 1.57 -3.43 -1.26 -5.05 115.29 104.13 2g0u s HIS 88 Ca 0.00 0.59 0.21 0.00 -0.80 0.00 0.00 55.06 55.06 2g0u s HIS 88 Cb 0.00 0.48 0.90 0.00 -1.43 0.00 0.00 32.58 32.53 2g0u s HIS 88 CO 0.00 -0.57 1.64 -2.39 -2.00 0.00 0.00 174.74 171.42 2g0u n HIS 89 N 0.29 0.62 -1.77 0.38 1.44 -1.26 -4.84 115.22 110.09 2g0u n HIS 89 Ca -0.14 0.25 -0.42 0.00 -2.01 0.00 0.00 57.72 55.41 2g0u n HIS 89 Cb 0.60 -0.90 -0.03 0.00 0.12 0.00 0.00 29.99 29.78 2g0u n HIS 89 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2g0u s HIS 90 N -3.26 2.43 0.00 -1.40 3.76 -1.26 -4.88 115.29 110.68 2g0u s HIS 90 Ca 0.04 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2g0u s HIS 90 Cb 0.09 -4.12 0.00 0.00 1.11 0.00 0.00 32.58 29.66 2g0u s HIS 90 CO 0.34 -4.47 0.28 -2.39 -0.85 0.00 0.00 174.74 167.65 2g0u n HIS 91 N 5.16 0.00 -1.45 1.40 -0.00 -1.26 -5.15 115.22 113.92 2g0u n HIS 91 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2g0u n HIS 91 Cb 0.38 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2g0u n HIS 91 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95