#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.73 -5.03 6.12 4.64 -2.13 -3.47 113.55 114.41 2g0u h SER 2 Ca 0.00 -0.38 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 2g0u h SER 2 Cb 0.00 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 61.74 2g0u h SER 2 CO 0.00 1.12 0.04 0.54 -0.87 0.00 0.00 176.83 177.66 2g0u s ASN 3 N -6.92 -0.41 0.89 4.97 4.22 -1.26 -5.18 114.94 111.25 2g0u s ASN 3 Ca -0.08 0.00 -0.12 0.00 -2.14 0.00 0.00 52.86 50.52 2g0u s ASN 3 Cb 0.11 0.51 0.13 0.00 1.28 0.00 0.00 41.25 43.27 2g0u s ASN 3 CO 0.85 -0.81 1.09 -2.16 -2.04 0.00 0.00 177.10 174.04 2g0u s PRO 4 N -3.08 1.29 0.85 3.55 0.04 -1.26 -5.03 135.00 131.37 2g0u s PRO 4 Ca -0.02 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.66 2g0u s PRO 4 Cb -0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2g0u s PRO 4 CO -0.07 -2.21 0.16 -2.30 0.04 0.00 0.00 177.00 172.63 2g0u n PRO 5 N -3.86 -0.01 -4.12 0.56 -0.02 -1.26 -5.07 135.00 121.22 2g0u n PRO 5 Ca 0.07 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2g0u n PRO 5 Cb 0.55 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.32 2g0u n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2g0u s THR 6 N -2.12 0.44 0.73 3.45 -4.23 -1.26 -5.16 115.64 107.49 2g0u s THR 6 Ca 0.56 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 2g0u s THR 6 Cb -0.27 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 2g0u s THR 6 CO 0.67 -0.93 0.77 -2.65 -0.54 0.00 0.00 174.62 171.95 2g0u n PRO 7 N 0.08 0.38 -4.11 3.99 -0.02 -1.26 -5.06 135.00 128.99 2g0u n PRO 7 Ca -0.13 0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 2g0u n PRO 7 Cb 0.61 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.92 2.23 -0.24 2.45 1.43 -1.26 -5.07 118.68 116.30 2g0u s LEU 8 Ca 0.69 -1.07 0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2g0u s LEU 8 Cb -0.34 0.23 0.74 0.00 0.03 0.00 0.00 46.19 46.85 2g0u s LEU 8 CO 0.54 -0.65 1.67 0.00 0.23 0.00 0.00 176.35 178.14 2g0u n LEU 9 N 0.04 5.48 -4.32 1.79 -0.00 -1.26 -4.82 117.00 113.91 2g0u n LEU 9 Ca -0.11 -2.80 -0.30 0.00 -0.00 0.00 0.00 56.01 52.80 2g0u n LEU 9 Cb 0.62 -0.69 0.29 0.00 -0.00 0.00 0.00 43.42 43.64 2g0u n LEU 9 CO 0.29 0.64 0.41 0.00 -0.00 0.00 0.00 177.39 178.73 2g0u s ALA 10 N -2.66 -0.88 0.33 1.47 0.00 -1.26 -4.06 121.76 114.70 2g0u s ALA 10 Ca 0.50 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.95 2g0u s ALA 10 Cb 0.39 -3.03 0.89 0.00 0.00 0.00 0.00 23.12 21.36 2g0u s ALA 10 CO 0.14 -4.55 1.75 0.22 0.00 0.00 0.00 175.76 173.32 2g0u h ASP 11 N -3.33 0.67 0.27 0.00 3.58 -1.97 0.60 116.42 116.23 2g0u h ASP 11 Ca -0.49 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2g0u h ASP 11 Cb 1.34 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2g0u h ASP 11 CO 0.34 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.84 2g0u n TYR 12 N -4.82 0.00 0.00 0.28 0.18 -1.26 -2.25 117.16 109.29 2g0u n TYR 12 Ca 0.26 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.04 2g0u n TYR 12 Cb 0.72 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 39.34 2g0u n TYR 12 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2g0u n GLU 13 N -1.34 0.67 0.12 -3.48 4.07 0.01 -4.70 120.64 115.99 2g0u n GLU 13 Ca 0.05 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.29 2g0u n GLU 13 Cb 0.10 -0.97 0.66 0.00 -0.06 0.00 0.00 31.44 31.17 2g0u n GLU 13 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2g0u h TRP 14 N 0.00 0.01 -0.18 4.31 7.01 -1.04 -1.69 115.95 124.38 2g0u h TRP 14 Ca 0.00 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 2g0u h TRP 14 Cb 0.94 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 2g0u h TRP 14 CO 0.00 0.01 0.29 0.66 -2.79 0.00 0.00 178.44 176.61 2g0u h SER 15 N 0.01 0.00 -1.00 2.65 4.64 -1.70 -2.68 113.55 115.47 2g0u h SER 15 Ca 0.13 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.74 2g0u h SER 15 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 2g0u h SER 15 CO -0.00 0.00 0.80 1.23 -0.87 0.00 0.00 176.83 177.98 2g0u h GLY 16 N 0.00 0.00 1.31 -0.77 0.00 -1.62 0.19 103.07 102.18 2g0u h GLY 16 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.44 2g0u h GLY 16 CO -0.00 0.00 0.32 -1.82 0.00 0.00 0.00 176.54 175.04 2g0u h TYR 17 N 0.00 0.00 0.00 5.60 3.20 -1.72 -3.21 116.97 120.84 2g0u h TYR 17 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.34 2g0u h TYR 17 Cb 2.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.33 2g0u h TYR 17 CO 0.00 0.00 -0.55 -0.11 -1.64 0.00 0.00 178.16 175.86 2g0u n LEU 18 N -3.16 1.44 0.33 2.82 -0.00 -0.15 -4.84 117.00 113.45 2g0u n LEU 18 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 2g0u n LEU 18 Cb 0.40 0.00 0.85 0.00 -0.00 0.00 0.00 43.42 44.67 2g0u n LEU 18 CO 0.18 0.21 1.12 0.74 -0.00 0.00 0.00 177.39 179.64 2g0u h THR 19 N 0.00 0.00 -1.05 1.96 2.02 -1.12 -1.77 112.91 112.95 2g0u h THR 19 Ca 0.00 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.46 2g0u h THR 19 Cb 0.55 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 2g0u h THR 19 CO 0.00 0.00 0.71 1.23 0.37 0.00 0.00 175.52 177.83 2g0u h GLY 20 N 0.00 0.71 2.00 2.16 0.00 -1.82 -0.01 103.07 106.11 2g0u h GLY 20 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2g0u h GLY 20 CO 0.00 -0.07 -0.17 1.19 0.00 0.00 0.00 176.54 177.49 2g0u h ILE 21 N 0.24 0.96 0.11 2.60 6.09 -1.66 -2.93 117.51 122.91 2g0u h ILE 21 Ca 0.55 -0.61 -0.31 0.00 -1.37 0.00 0.00 64.86 63.12 2g0u h ILE 21 Cb 1.70 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 40.33 2g0u h ILE 21 CO -0.17 0.17 -1.59 1.23 -3.07 0.00 0.00 178.15 174.72 2g0u h GLY 22 N 0.64 0.26 1.45 8.18 0.00 -1.24 -3.33 103.07 109.04 2g0u h GLY 22 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.68 2g0u h GLY 22 CO 0.02 0.59 0.25 -0.09 0.00 0.00 0.00 176.54 177.31 2g0u h ARG 23 N 0.06 0.00 0.00 4.80 9.65 -1.21 -1.54 114.38 126.15 2g0u h ARG 23 Ca -0.26 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.50 2g0u h ARG 23 Cb 2.02 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.58 2g0u h ARG 23 CO 0.15 0.00 -0.54 0.00 2.80 0.00 0.00 179.97 182.38 2g0u h ALA 24 N 1.58 0.80 0.00 2.80 0.00 -1.65 -3.12 119.26 119.68 2g0u h ALA 24 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2g0u h ALA 24 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2g0u h ALA 24 CO -0.00 0.67 -0.96 1.97 0.00 0.00 0.00 179.25 180.93 2g0u n PHE 25 N -3.45 0.82 0.80 0.00 1.16 -0.63 -3.90 117.46 112.25 2g0u n PHE 25 Ca 0.00 0.24 0.05 0.00 -1.87 0.00 0.00 57.45 55.87 2g0u n PHE 25 Cb 0.65 -0.85 0.27 0.00 -1.61 0.00 0.00 39.48 37.94 2g0u n PHE 25 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2g0u n ASP 26 N -2.50 0.00 0.03 5.98 2.03 -0.90 -4.32 116.55 116.86 2g0u n ASP 26 Ca 0.01 -0.52 0.21 0.00 0.52 0.00 0.00 54.79 55.02 2g0u n ASP 26 Cb 0.52 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.65 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2g0u h ASP 27 N 0.00 0.00 0.60 1.67 3.58 -1.67 0.20 116.42 120.79 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 27 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2g0u n GLY 28 N -1.57 -1.17 0.00 -0.78 0.00 -1.26 -3.41 105.19 97.00 2g0u n GLY 28 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.12 0.00 0.15 1.61 0.31 0.43 -4.70 118.33 114.01 2g0u n VAL 29 Ca 0.02 -0.23 0.19 0.00 -0.01 0.00 0.00 64.34 64.31 2g0u n VAL 29 Cb 0.19 0.78 0.73 0.00 -0.91 0.00 0.00 33.84 34.62 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 -1.00 5.55 3.64 -0.85 0.28 116.57 124.18 2g0u h LYS 30 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2g0u h LYS 30 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 2g0u h LYS 30 CO 0.00 0.00 0.64 0.22 -2.27 0.00 0.00 179.45 178.04 2g0u h ASP 31 N 0.00 0.94 0.50 4.20 3.58 -1.84 0.14 116.42 123.94 2g0u h ASP 31 Ca 0.15 0.04 -0.30 0.00 0.42 0.00 0.00 57.03 57.35 2g0u h ASP 31 Cb 1.10 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 42.02 2g0u h ASP 31 CO -0.00 0.52 -1.32 0.25 -2.88 0.00 0.00 179.24 175.80 2g0u h LEU 32 N 1.02 0.57 -1.24 2.28 6.46 -1.30 -3.06 115.31 120.04 2g0u h LEU 32 Ca 0.49 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2g0u h LEU 32 Cb 0.45 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 2g0u h LEU 32 CO -0.25 1.48 0.23 -1.13 -0.62 0.00 0.00 178.44 178.15 2g0u h ASN 33 N 0.10 0.69 -0.61 1.25 -1.24 -1.21 -1.28 115.58 113.28 2g0u h ASN 33 Ca -0.18 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 56.71 2g0u h ASN 33 Cb 2.04 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.89 2g0u h ASN 33 CO 0.23 0.61 0.19 0.50 -1.29 0.00 0.00 177.43 177.66 2g0u h LYS 34 N 0.76 0.94 -0.85 6.67 3.64 -0.79 0.12 116.57 127.06 2g0u h LYS 34 Ca 0.19 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2g0u h LYS 34 Cb 0.12 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2g0u h LYS 34 CO -0.02 0.84 0.50 1.96 -2.27 0.00 0.00 179.45 180.46 2g0u h GLN 35 N 0.86 1.15 -0.17 1.90 4.20 -1.35 -0.27 115.11 121.44 2g0u h GLN 35 Ca 0.19 -0.11 -0.19 0.00 0.06 0.00 0.00 58.65 58.61 2g0u h GLN 35 Cb 0.29 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2g0u h GLN 35 CO -0.01 0.82 -0.65 1.25 -0.67 0.00 0.00 178.83 179.57 2g0u h LEU 36 N 1.17 0.73 -1.02 1.46 5.85 -0.96 -1.53 115.31 121.00 2g0u h LEU 36 Ca 0.30 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2g0u h LEU 36 Cb -0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2g0u h LEU 36 CO -0.06 1.19 -0.30 1.56 -0.34 0.00 0.00 178.44 180.49 2g0u h GLN 37 N 0.46 0.33 -0.56 1.25 4.20 -0.63 0.62 115.11 120.79 2g0u h GLN 37 Ca -0.02 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2g0u h GLN 37 Cb 1.24 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 2g0u h GLN 37 CO 0.13 0.60 0.18 0.22 -0.67 0.00 0.00 178.83 179.29 2g0u h ASP 38 N 0.29 0.81 -0.44 1.46 1.82 -0.94 0.17 116.42 119.59 2g0u h ASP 38 Ca 0.04 -0.20 0.03 0.00 -0.39 0.00 0.00 57.03 56.51 2g0u h ASP 38 Cb 0.68 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2g0u h ASP 38 CO 0.05 0.80 0.23 0.00 -1.61 0.00 0.00 179.24 178.71 2g0u h ALA 39 N 1.04 0.56 0.00 -0.78 0.00 -0.85 -0.09 119.26 119.14 2g0u h ALA 39 Ca 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2g0u h ALA 39 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2g0u h ALA 39 CO -0.01 -0.11 -0.22 0.37 0.00 0.00 0.00 179.25 179.28 2g0u h GLN 40 N 0.47 0.00 0.17 0.00 4.15 -0.64 0.99 115.11 120.25 2g0u h GLN 40 Ca 0.19 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.31 2g0u h GLN 40 Cb 0.07 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.78 2g0u h GLN 40 CO -0.12 0.22 -1.33 0.00 -1.93 0.00 0.00 178.83 175.67 2g0u h ALA 41 N 1.78 0.02 -0.27 3.38 0.00 -0.50 0.40 119.26 124.06 2g0u h ALA 41 Ca -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 2g0u h ALA 41 Cb 0.55 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2g0u h ALA 41 CO 0.03 0.89 -0.03 -0.91 0.00 0.00 0.00 179.25 179.24 2g0u h ASN 42 N 0.10 0.39 0.07 0.00 2.35 -0.68 -0.79 115.58 117.01 2g0u h ASN 42 Ca -0.18 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.30 2g0u h ASN 42 CO 0.23 0.47 -0.59 0.25 -1.65 0.00 0.00 177.43 176.13 2g0u h LEU 43 N 0.40 0.60 -0.98 1.61 5.85 -0.84 -3.14 115.31 118.82 2g0u h LEU 43 Ca 0.09 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2g0u h LEU 43 Cb 0.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2g0u h LEU 43 CO 0.01 1.06 0.26 0.74 -0.34 0.00 0.00 178.44 180.17 2g0u h THR 44 N 0.40 1.24 -0.21 1.05 2.02 0.93 0.22 112.91 118.56 2g0u h THR 44 Ca -0.00 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2g0u h THR 44 Cb 1.14 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2g0u h THR 44 CO 0.11 0.30 0.07 0.11 0.37 0.00 0.00 175.52 176.48 2g0u h LYS 45 N 0.98 0.29 -1.69 6.66 1.57 -1.21 -3.37 116.57 119.79 2g0u h LYS 45 Ca 0.23 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.69 2g0u h LYS 45 Cb 0.20 -0.06 -0.28 0.00 0.08 0.00 0.00 32.23 32.18 2g0u h LYS 45 CO -0.02 0.26 -0.63 1.21 -0.57 0.00 0.00 179.45 179.70 2g0u s ASN 46 N -6.86 0.43 0.61 0.86 3.84 -0.71 -5.07 114.94 108.03 2g0u s ASN 46 Ca -0.06 -1.40 0.27 0.00 0.21 0.00 0.00 52.86 51.87 2g0u s ASN 46 Cb 0.17 0.93 1.28 0.00 -0.55 0.00 0.00 41.25 43.08 2g0u s ASN 46 CO 0.71 -0.23 1.70 -0.65 -2.79 0.00 0.00 177.10 175.85 2g0u h PRO 47 N 6.99 0.00 0.00 0.43 0.11 -0.78 -0.50 132.00 138.25 2g0u h PRO 47 Ca 0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2g0u h PRO 47 Cb 1.09 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 2g0u h PRO 47 CO 0.17 0.00 -0.68 -1.13 -0.21 0.00 0.00 178.00 176.15 2g0u n SER 48 N -3.39 1.32 -4.68 -2.05 3.41 -1.26 -4.90 113.62 102.08 2g0u n SER 48 Ca 0.10 -2.89 -0.43 0.00 -0.26 0.00 0.00 58.87 55.40 2g0u n SER 48 Cb 0.85 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2g0u n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g0u n ASP 49 N -0.39 4.06 0.21 4.04 -0.08 -0.20 -4.89 116.55 119.29 2g0u n ASP 49 Ca 0.12 0.96 0.07 0.00 -1.51 0.00 0.00 54.79 54.42 2g0u n ASP 49 Cb 0.87 -1.53 0.43 0.00 2.34 0.00 0.00 41.12 43.24 2g0u n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2g0u h PRO 50 N 9.25 0.00 0.09 -0.67 0.13 -1.96 0.14 132.00 138.97 2g0u h PRO 50 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 2g0u h PRO 50 Cb 1.23 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.39 2g0u h PRO 50 CO 0.94 0.31 -1.11 1.15 -0.23 0.00 0.00 178.00 179.06 2g0u h THR 51 N 0.00 1.32 -0.86 1.56 2.02 -1.97 0.10 112.91 115.08 2g0u h THR 51 Ca -0.00 -2.39 0.06 0.00 0.77 0.00 0.00 66.41 64.85 2g0u h THR 51 Cb 0.72 2.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.75 2g0u h THR 51 CO 0.04 0.72 0.53 0.00 0.37 0.00 0.00 175.52 177.18 2g0u h ALA 52 N 0.29 1.18 0.13 6.16 0.00 -1.81 0.23 119.26 125.44 2g0u h ALA 52 Ca -0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 2g0u h ALA 52 Cb 1.80 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2g0u h ALA 52 CO 0.21 0.27 -1.23 1.25 0.00 0.00 0.00 179.25 179.76 2g0u h LEU 53 N 0.97 0.52 -0.77 0.00 5.85 -0.78 0.21 115.31 121.32 2g0u h LEU 53 Ca 0.38 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2g0u h LEU 53 Cb 0.18 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2g0u h LEU 53 CO -0.17 1.40 0.43 0.00 -0.34 0.00 0.00 178.44 179.76 2g0u h ALA 54 N 0.53 0.98 0.29 1.25 0.00 -0.65 0.92 119.26 122.59 2g0u h ALA 54 Ca -0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.94 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2g0u h ALA 54 CO 0.21 0.48 -0.14 -0.97 0.00 0.00 0.00 179.25 178.83 2g0u h ASN 55 N 1.06 -0.34 -0.66 0.00 -1.24 -0.43 0.57 115.58 114.55 2g0u h ASN 55 Ca 0.27 -0.15 0.07 0.00 0.71 0.00 0.00 56.30 57.20 2g0u h ASN 55 Cb 0.01 0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.09 2g0u h ASN 55 CO -0.05 -0.03 0.34 0.22 -1.29 0.00 0.00 177.43 176.63 2g0u h TYR 56 N -0.66 0.62 -0.68 0.67 3.20 -0.94 0.27 116.97 119.46 2g0u h TYR 56 Ca -0.04 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2g0u h TYR 56 Cb 0.46 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2g0u h TYR 56 CO 0.01 0.27 0.12 1.96 -1.64 0.00 0.00 178.16 178.88 2g0u h GLN 57 N 0.62 1.11 -0.17 1.82 1.08 -0.70 0.16 115.11 119.03 2g0u h GLN 57 Ca 0.31 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2g0u h GLN 57 Cb 0.25 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2g0u h GLN 57 CO -0.22 1.01 -0.05 1.98 -0.95 0.00 0.00 178.83 180.61 2g0u h MET 58 N 1.04 0.33 -0.25 1.46 4.05 -0.51 -0.21 114.93 120.84 2g0u h MET 58 Ca 0.21 -0.13 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 2g0u h MET 58 Cb 0.43 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2g0u h MET 58 CO 0.01 0.61 -0.34 0.82 0.23 0.00 0.00 176.91 178.24 2g0u h ILE 59 N 0.04 1.29 -0.16 1.77 2.04 -0.92 -2.69 117.51 118.87 2g0u h ILE 59 Ca 0.04 -1.46 -0.12 0.00 1.00 0.00 0.00 64.86 64.33 2g0u h ILE 59 Cb 0.49 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2g0u h ILE 59 CO 0.02 0.46 -0.40 -0.03 0.00 0.00 0.00 178.15 178.19 2g0u h MET 60 N 0.45 0.37 -0.31 2.37 4.05 -0.58 0.18 114.93 121.46 2g0u h MET 60 Ca 0.05 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2g0u h MET 60 Cb 0.81 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 2g0u h MET 60 CO 0.07 0.72 0.15 1.03 0.23 0.00 0.00 176.91 179.11 2g0u h SER 61 N 0.31 0.23 -0.48 1.39 0.87 -0.86 0.73 113.55 115.74 2g0u h SER 61 Ca 0.03 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2g0u h SER 61 Cb 0.85 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2g0u h SER 61 CO 0.07 0.17 0.07 -0.33 -0.53 0.00 0.00 176.83 176.29 2g0u h GLU 62 N 0.32 0.80 -0.08 2.24 5.08 -1.18 -2.36 114.58 119.41 2g0u h GLU 62 Ca 0.13 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2g0u h GLU 62 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2g0u h GLU 62 CO -0.09 0.81 0.04 -0.92 -1.00 0.00 0.00 179.01 177.85 2g0u h TYR 63 N 0.68 0.08 -0.38 4.33 3.20 -0.47 -0.83 116.97 123.57 2g0u h TYR 63 Ca 0.15 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 2g0u h TYR 63 Cb 0.40 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2g0u h TYR 63 CO 0.03 0.05 -0.30 -0.97 -1.64 0.00 0.00 178.16 175.33 2g0u h ASN 64 N 0.09 0.86 -0.11 -2.11 -1.24 -0.86 0.04 115.58 112.24 2g0u h ASN 64 Ca 0.03 -0.35 -0.00 0.00 0.71 0.00 0.00 56.30 56.69 2g0u h ASN 64 Cb -0.00 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2g0u h ASN 64 CO -0.02 1.09 0.06 0.25 -1.29 0.00 0.00 177.43 177.53 2g0u h LEU 65 N 0.70 0.14 -0.90 0.34 6.46 -1.36 -2.13 115.31 118.56 2g0u h LEU 65 Ca 0.08 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.69 2g0u h LEU 65 Cb 0.84 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2g0u h LEU 65 CO 0.07 0.17 -0.06 0.22 -0.62 0.00 0.00 178.44 178.22 2g0u h TYR 66 N 0.10 0.80 -0.59 1.25 5.03 -0.91 -0.10 116.97 122.54 2g0u h TYR 66 Ca 0.04 -0.13 0.04 0.00 2.58 0.00 0.00 58.73 61.26 2g0u h TYR 66 Cb 0.06 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.08 2g0u h TYR 66 CO -0.05 0.78 0.35 0.00 -1.32 0.00 0.00 178.16 177.92 2g0u h ARG 67 N 0.69 0.65 -0.66 1.82 2.47 -0.90 0.12 114.38 118.57 2g0u h ARG 67 Ca 0.13 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2g0u h ARG 67 Cb 0.51 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 2g0u h ARG 67 CO 0.03 0.43 0.12 -0.97 0.56 0.00 0.00 179.97 180.14 2g0u h ASN 68 N 0.67 1.02 0.25 7.04 -1.24 -1.09 -3.05 115.58 119.17 2g0u h ASN 68 Ca 0.25 -0.23 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 2g0u h ASN 68 Cb 0.08 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 2g0u h ASN 68 CO -0.13 1.00 -0.35 0.00 -1.29 0.00 0.00 177.43 176.66 2g0u h ALA 69 N 1.12 1.26 -0.49 1.57 0.00 -0.30 -1.41 119.26 121.00 2g0u h ALA 69 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2g0u h ALA 69 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2g0u h ALA 69 CO 0.01 0.52 0.16 0.37 0.00 0.00 0.00 179.25 180.30 2g0u h GLN 70 N 0.14 0.76 -0.61 0.00 5.75 -0.73 0.99 115.11 121.41 2g0u h GLN 70 Ca 0.02 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 2g0u h GLN 70 Cb 0.70 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 2g0u h GLN 70 CO 0.05 0.71 0.15 0.77 -2.65 0.00 0.00 178.83 177.86 2g0u h SER 71 N 0.66 0.89 -0.53 -0.69 0.02 -1.40 -2.16 113.55 110.34 2g0u h SER 71 Ca 0.16 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2g0u h SER 71 Cb 0.27 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2g0u h SER 71 CO -0.01 0.87 -0.06 0.28 -1.14 0.00 0.00 176.83 176.77 2g0u h SER 72 N 0.91 0.96 -0.50 3.07 0.02 -1.03 -1.12 113.55 115.87 2g0u h SER 72 Ca 0.20 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2g0u h SER 72 Cb 0.32 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2g0u h SER 72 CO -0.00 1.07 0.26 0.00 -1.14 0.00 0.00 176.83 177.02 2g0u h ALA 73 N 0.93 1.45 -0.04 3.77 0.00 -0.65 -0.97 119.26 123.75 2g0u h ALA 73 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2g0u h ALA 73 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2g0u h ALA 73 CO 0.04 0.44 -0.05 0.28 0.00 0.00 0.00 179.25 179.96 2g0u h VAL 74 N 0.75 1.39 -0.12 0.00 2.07 -1.22 -2.51 116.25 116.62 2g0u h VAL 74 Ca 0.19 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 2g0u h VAL 74 Cb 0.08 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2g0u h VAL 74 CO -0.03 0.33 -0.35 0.07 0.02 0.00 0.00 177.57 177.61 2g0u h LYS 75 N -0.36 0.24 -0.46 1.57 2.10 -1.04 -3.28 116.57 115.34 2g0u h LYS 75 Ca 0.01 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2g0u h LYS 75 Cb 0.56 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2g0u h LYS 75 CO 0.01 0.57 0.00 0.43 -2.00 0.00 0.00 179.45 178.46 2g0u n SER 76 N -4.07 3.45 -0.23 7.07 7.64 -0.38 -4.67 113.62 122.43 2g0u n SER 76 Ca -0.01 -2.15 0.18 0.00 1.01 0.00 0.00 58.87 57.90 2g0u n SER 76 Cb 0.44 -0.36 0.51 0.00 -1.01 0.00 0.00 64.21 63.79 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 2.72 0.40 0.00 1.43 -0.00 -1.50 0.95 114.93 118.92 2g0u h MET 77 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2g0u h MET 77 Cb 0.94 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 2g0u h MET 77 CO 0.05 0.26 0.00 0.36 -0.00 0.00 0.00 176.91 177.58 2g0u n LYS 78 N -4.50 0.07 -0.19 -0.10 2.85 -1.26 -1.11 118.16 113.92 2g0u n LYS 78 Ca 0.18 0.57 0.04 0.00 -1.05 0.00 0.00 58.31 58.05 2g0u n LYS 78 Cb 0.66 -1.74 0.05 0.00 -0.65 0.00 0.00 35.03 33.36 2g0u n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2g0u n ASP 79 N -1.89 1.23 0.00 -5.58 2.03 0.30 -4.57 116.55 108.07 2g0u n ASP 79 Ca -0.01 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.01 2g0u n ASP 79 Cb 0.02 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2g0u n ASP 79 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2g0u n ILE 80 N -0.64 0.00 0.29 5.18 5.41 -0.83 -4.65 119.36 124.13 2g0u n ILE 80 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.97 2g0u n ILE 80 Cb 0.58 -0.59 0.93 0.00 -0.71 0.00 0.00 39.64 39.85 2g0u n ILE 80 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2g0u h ASP 81 N 0.00 0.00 0.97 4.38 3.58 -1.40 0.73 116.42 124.68 2g0u h ASP 81 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 81 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2g0u h ASP 81 CO 0.00 0.00 -0.02 -1.54 -2.88 0.00 0.00 179.24 174.80 2g0u n SER 82 N -3.77 0.02 0.00 2.28 3.41 -1.26 -4.45 113.62 109.85 2g0u n SER 82 Ca -0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2g0u n SER 82 Cb 0.11 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2g0u n SER 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2g0u n SER 83 N -1.49 0.00 -4.65 4.04 3.41 -0.53 -5.10 113.62 109.30 2g0u n SER 83 Ca 0.07 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 2g0u n SER 83 Cb 0.34 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g0u n ILE 84 N 0.00 2.22 -0.76 -1.33 0.13 0.14 -4.98 119.36 114.78 2g0u n ILE 84 Ca 0.00 -0.50 -0.30 0.00 -1.10 0.00 0.00 62.75 60.85 2g0u n ILE 84 Cb 0.03 -1.32 0.17 0.00 -0.84 0.00 0.00 39.64 37.68 2g0u n ILE 84 CO 0.00 0.00 0.00 -1.48 2.80 0.00 0.00 176.55 177.87 2g0u s LEU 85 N -0.66 2.40 -0.26 9.51 2.34 -1.26 -4.97 118.68 125.77 2g0u s LEU 85 Ca 0.59 1.96 0.13 0.00 0.06 0.00 0.00 54.13 56.87 2g0u s LEU 85 Cb -0.58 -4.27 0.67 0.00 -0.56 0.00 0.00 46.19 41.44 2g0u s LEU 85 CO 0.59 -3.19 1.64 -0.62 -1.06 0.00 0.00 176.35 173.72 2g0u n GLU 86 N -4.28 3.53 -4.10 1.48 1.02 -1.26 -4.96 120.64 112.06 2g0u n GLU 86 Ca 0.09 -3.04 -0.11 0.00 -0.02 0.00 0.00 57.16 54.08 2g0u n GLU 86 Cb 0.53 -2.07 -0.08 0.00 -0.02 0.00 0.00 31.44 29.80 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2g0u s HIS 87 N -2.93 0.79 -0.43 -0.32 2.46 -1.26 -5.10 115.29 108.50 2g0u s HIS 87 Ca 0.50 -1.07 0.04 0.00 0.47 0.00 0.00 55.06 55.00 2g0u s HIS 87 Cb 0.40 -0.20 0.48 0.00 -0.13 0.00 0.00 32.58 33.13 2g0u s HIS 87 CO 0.11 -0.81 1.57 0.72 -2.47 0.00 0.00 174.74 173.86 2g0u n HIS 88 N -0.33 2.58 0.10 3.88 8.25 -1.26 -4.76 115.22 123.68 2g0u n HIS 88 Ca 0.00 -2.36 0.04 0.00 -0.26 0.00 0.00 57.72 55.15 2g0u n HIS 88 Cb 0.64 -0.78 0.47 0.00 1.12 0.00 0.00 29.99 31.44 2g0u n HIS 88 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2g0u h HIS 89 N 1.82 0.31 -3.73 4.41 6.17 -2.00 -3.44 115.15 118.71 2g0u h HIS 89 Ca 0.43 -0.00 -0.49 0.00 0.71 0.00 0.00 60.37 61.02 2g0u h HIS 89 Cb 1.37 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 31.17 2g0u h HIS 89 CO 1.13 0.26 0.10 -1.01 0.71 0.00 0.00 177.93 179.12 2g0u s HIS 90 N -5.16 3.38 0.08 5.26 3.76 -1.26 -5.11 115.29 116.24 2g0u s HIS 90 Ca -0.07 1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 56.04 2g0u s HIS 90 Cb 0.17 -2.54 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 2g0u s HIS 90 CO 0.72 0.10 0.07 -1.01 -0.85 0.00 0.00 174.74 173.77 2g0u s HIS 91 N -1.97 0.45 0.00 1.40 3.76 -1.26 -5.22 115.29 112.45 2g0u s HIS 91 Ca 0.54 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2g0u s HIS 91 Cb -0.10 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2g0u s HIS 91 CO 0.17 -0.48 0.09 0.72 -0.85 0.00 0.00 174.74 174.40