#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u n SER 2 N 0.00 0.00 -3.91 7.83 7.64 -1.26 -4.83 113.62 119.09 2g0u n SER 2 Ca 0.00 0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 2g0u n SER 2 Cb 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2g0u n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g0u s ASN 3 N -2.61 0.13 0.81 6.43 4.22 -1.26 -5.17 114.94 117.49 2g0u s ASN 3 Ca 0.16 -0.75 -0.11 0.00 -2.14 0.00 0.00 52.86 50.02 2g0u s ASN 3 Cb 0.12 0.35 0.08 0.00 1.28 0.00 0.00 41.25 43.07 2g0u s ASN 3 CO 0.27 -0.76 1.09 -2.16 -2.04 0.00 0.00 177.10 173.51 2g0u s PRO 4 N -3.90 1.97 0.52 3.55 0.04 -1.26 -4.96 135.00 130.97 2g0u s PRO 4 Ca 0.09 1.13 0.33 0.00 0.04 0.00 0.00 61.00 62.58 2g0u s PRO 4 Cb 0.05 -1.87 1.39 0.00 0.04 0.00 0.00 34.50 34.11 2g0u s PRO 4 CO -0.08 -1.83 1.97 -1.00 0.04 0.00 0.00 177.00 176.10 2g0u h PRO 5 N -1.26 0.00 -7.24 0.56 0.13 -1.99 -3.46 132.00 118.73 2g0u h PRO 5 Ca -0.45 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2g0u h PRO 5 Cb 1.24 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.50 2g0u h PRO 5 CO 0.51 0.00 0.34 0.95 -0.23 0.00 0.00 178.00 179.58 2g0u s THR 6 N -3.65 2.98 0.54 1.56 -4.23 -1.26 -4.95 115.64 106.62 2g0u s THR 6 Ca 0.01 0.40 0.22 0.00 -1.18 0.00 0.00 61.69 61.14 2g0u s THR 6 Cb 0.09 -2.86 0.34 0.00 1.34 0.00 0.00 72.50 71.41 2g0u s THR 6 CO 0.51 -0.34 2.08 -0.65 -0.54 0.00 0.00 174.62 175.68 2g0u h PRO 7 N -0.59 0.00 -3.33 3.99 0.11 -2.05 -3.44 132.00 126.68 2g0u h PRO 7 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2g0u h PRO 7 Cb 1.25 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 2g0u h PRO 7 CO 0.51 0.00 -0.01 -1.17 -0.21 0.00 0.00 178.00 177.12 2g0u s LEU 8 N -8.71 0.18 0.00 2.35 2.96 -1.26 -5.05 118.68 109.15 2g0u s LEU 8 Ca -0.05 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2g0u s LEU 8 Cb 0.18 2.02 0.00 0.00 0.50 0.00 0.00 46.19 48.89 2g0u s LEU 8 CO 0.68 -0.94 0.26 0.18 -1.32 0.00 0.00 176.35 175.20 2g0u n LEU 9 N -0.28 0.14 0.27 -0.68 4.32 -1.26 -4.05 117.00 115.46 2g0u n LEU 9 Ca -0.14 -0.07 0.18 0.00 -0.02 0.00 0.00 56.01 55.96 2g0u n LEU 9 Cb 0.63 -0.07 0.87 0.00 -1.62 0.00 0.00 43.42 43.23 2g0u n LEU 9 CO 0.17 0.04 1.15 0.00 -1.22 0.00 0.00 177.39 177.52 2g0u h ALA 10 N 1.51 1.49 0.00 -1.18 0.00 -1.97 -0.05 119.26 119.06 2g0u h ALA 10 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g0u h ALA 10 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2g0u h ALA 10 CO 0.00 -0.33 0.00 0.22 0.00 0.00 0.00 179.25 179.14 2g0u h ASP 11 N 0.00 0.00 0.00 0.00 3.58 -2.02 -3.31 116.42 114.67 2g0u h ASP 11 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2g0u h ASP 11 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2g0u h ASP 11 CO -0.00 0.00 -0.26 0.00 -2.88 0.00 0.00 179.24 176.09 2g0u n TYR 12 N -2.38 0.00 0.04 0.28 9.36 -0.19 -4.89 117.16 119.38 2g0u n TYR 12 Ca -0.01 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.41 2g0u n TYR 12 Cb 0.06 0.00 0.73 0.00 -0.63 0.00 0.00 39.34 39.49 2g0u n TYR 12 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2g0u h GLU 13 N 0.00 0.00 -0.70 2.98 4.81 -1.21 -0.67 114.58 119.78 2g0u h GLU 13 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2g0u h GLU 13 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2g0u h GLU 13 CO 0.00 0.00 0.50 0.11 -0.73 0.00 0.00 179.01 178.89 2g0u h TRP 14 N 0.00 0.02 0.00 0.92 5.08 -1.87 -0.67 115.95 119.44 2g0u h TRP 14 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 2g0u h TRP 14 Cb 1.01 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 2g0u h TRP 14 CO 0.00 0.01 0.00 0.45 -1.28 0.00 0.00 178.44 177.62 2g0u n SER 15 N -4.33 0.05 -0.01 0.11 2.88 -0.26 -1.83 113.62 110.23 2g0u n SER 15 Ca 0.14 0.52 -0.01 0.00 -1.33 0.00 0.00 58.87 58.18 2g0u n SER 15 Cb 0.77 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2g0u n GLY 16 N -0.57 -0.03 0.26 0.46 0.00 -0.58 -4.64 105.19 100.09 2g0u n GLY 16 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2g0u n GLY 16 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g0u h TYR 17 N -0.02 -0.55 -0.00 1.61 3.20 -1.15 -1.39 116.97 118.66 2g0u h TYR 17 Ca -0.04 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2g0u h TYR 17 Cb 1.05 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2g0u h TYR 17 CO -0.00 -0.34 -0.43 -0.07 -1.64 0.00 0.00 178.16 175.68 2g0u h LEU 18 N -0.58 0.01 -0.85 2.82 3.38 -1.61 -2.03 115.31 116.45 2g0u h LEU 18 Ca -0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2g0u h LEU 18 Cb 0.45 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2g0u h LEU 18 CO 0.08 0.44 0.31 0.74 0.09 0.00 0.00 178.44 180.10 2g0u h THR 19 N 0.00 1.26 -0.39 0.22 2.02 -1.67 -0.08 112.91 114.28 2g0u h THR 19 Ca -0.00 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2g0u h THR 19 Cb 0.77 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2g0u h THR 19 CO 0.06 0.33 0.16 1.23 0.37 0.00 0.00 175.52 177.67 2g0u h GLY 20 N 1.15 0.62 0.99 2.16 0.00 -0.66 -0.51 103.07 106.82 2g0u h GLY 20 Ca 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2g0u h GLY 20 CO -0.02 0.31 0.31 -2.22 0.00 0.00 0.00 176.54 174.92 2g0u h ILE 21 N 0.49 1.16 -0.28 2.60 1.08 -1.23 -2.82 117.51 118.50 2g0u h ILE 21 Ca 0.13 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2g0u h ILE 21 Cb 0.17 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2g0u h ILE 21 CO -0.01 0.16 0.18 1.23 -0.69 0.00 0.00 178.15 179.02 2g0u h GLY 22 N 0.69 0.41 1.36 5.37 0.00 -0.85 -2.78 103.07 107.27 2g0u h GLY 22 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.42 2g0u h GLY 22 CO -0.03 0.16 0.28 -0.09 0.00 0.00 0.00 176.54 176.86 2g0u h ARG 23 N 0.37 0.29 0.00 4.80 2.43 -1.04 -2.95 114.38 118.29 2g0u h ARG 23 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2g0u h ARG 23 Cb -0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2g0u h ARG 23 CO -0.02 0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 2g0u n ALA 24 N -2.53 1.80 1.24 2.80 0.00 -1.05 -0.92 120.51 121.86 2g0u n ALA 24 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.53 2g0u n ALA 24 Cb 0.27 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.71 0.29 0.00 0.00 3.72 -1.11 -4.48 117.46 114.16 2g0u n PHE 25 Ca 0.04 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2g0u n PHE 25 Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 2g0u n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2g0u n ASP 26 N 0.20 0.03 -0.03 4.37 2.03 -0.66 -4.90 116.55 117.60 2g0u n ASP 26 Ca 0.11 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.54 2g0u n ASP 26 Cb 0.23 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.17 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 0.27 0.38 1.67 1.82 -1.25 0.16 116.42 119.48 2g0u h ASP 27 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2g0u h ASP 27 Cb 0.01 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.97 2g0u h ASP 27 CO 0.00 0.17 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 2g0u n GLY 28 N -1.54 -0.90 0.00 -0.78 0.00 -1.26 -3.76 105.19 96.95 2g0u n GLY 28 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.34 0.00 0.30 1.61 0.31 -0.33 -4.70 118.33 114.18 2g0u n VAL 29 Ca 0.07 -0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.58 2g0u n VAL 29 Cb 0.15 0.21 0.98 0.00 -0.91 0.00 0.00 33.84 34.26 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 -0.97 5.55 3.64 -1.12 -1.86 116.57 121.81 2g0u h LYS 30 Ca 0.00 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 2g0u h LYS 30 Cb 0.00 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 2g0u h LYS 30 CO 0.00 0.00 0.54 0.22 -2.27 0.00 0.00 179.45 177.94 2g0u h ASP 31 N 0.00 0.59 -0.49 4.20 3.58 -1.84 -0.56 116.42 121.90 2g0u h ASP 31 Ca 0.02 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2g0u h ASP 31 Cb 0.36 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2g0u h ASP 31 CO -0.00 0.09 0.15 0.25 -2.88 0.00 0.00 179.24 176.85 2g0u h LEU 32 N 0.55 0.72 -1.14 2.28 6.46 -1.69 0.67 115.31 123.16 2g0u h LEU 32 Ca 0.61 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 58.09 2g0u h LEU 32 Cb 1.14 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 2g0u h LEU 32 CO -0.48 0.74 -0.13 -1.13 -0.62 0.00 0.00 178.44 176.82 2g0u h ASN 33 N 0.66 0.43 -0.56 1.25 -0.73 -1.50 -1.55 115.58 113.58 2g0u h ASN 33 Ca 0.16 -0.11 -0.10 0.00 1.87 0.00 0.00 56.30 58.12 2g0u h ASN 33 Cb 0.29 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 2g0u h ASN 33 CO -0.00 0.59 -0.01 0.50 -0.37 0.00 0.00 177.43 178.14 2g0u h LYS 34 N 0.41 1.02 -0.94 6.67 3.64 -0.54 0.14 116.57 126.97 2g0u h LYS 34 Ca 0.08 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2g0u h LYS 34 Cb 0.48 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2g0u h LYS 34 CO 0.03 1.00 0.62 1.96 -2.27 0.00 0.00 179.45 180.79 2g0u h GLN 35 N 0.93 1.21 -0.23 1.90 4.20 -0.61 -0.70 115.11 121.79 2g0u h GLN 35 Ca 0.16 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 2g0u h GLN 35 Cb 0.56 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2g0u h GLN 35 CO 0.03 0.80 -0.56 1.25 -0.67 0.00 0.00 178.83 179.68 2g0u h LEU 36 N 1.24 0.80 -1.09 1.46 5.85 -0.90 -0.06 115.31 122.61 2g0u h LEU 36 Ca 0.36 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2g0u h LEU 36 Cb -0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 2g0u h LEU 36 CO -0.09 1.19 -0.27 1.56 -0.34 0.00 0.00 178.44 180.49 2g0u h GLN 37 N 0.55 0.31 -0.40 1.25 4.20 -0.84 0.51 115.11 120.70 2g0u h GLN 37 Ca 0.01 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 2g0u h GLN 37 Cb 1.13 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 2g0u h GLN 37 CO 0.11 0.56 -0.16 0.22 -0.67 0.00 0.00 178.83 178.89 2g0u h ASP 38 N 0.28 0.74 -0.28 1.46 3.58 -0.90 0.19 116.42 121.48 2g0u h ASP 38 Ca 0.04 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2g0u h ASP 38 Cb 0.63 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2g0u h ASP 38 CO 0.05 0.91 0.18 0.00 -2.88 0.00 0.00 179.24 177.49 2g0u h ALA 39 N 1.16 0.36 0.00 -0.78 0.00 -0.58 -1.08 119.26 118.33 2g0u h ALA 39 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2g0u h ALA 39 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2g0u h ALA 39 CO 0.05 -0.16 -0.12 0.37 0.00 0.00 0.00 179.25 179.39 2g0u h GLN 40 N 0.37 0.00 0.19 0.00 4.15 -0.66 0.96 115.11 120.12 2g0u h GLN 40 Ca 0.10 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.22 2g0u h GLN 40 Cb -0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.70 2g0u h GLN 40 CO -0.02 0.12 -1.38 0.00 -1.93 0.00 0.00 178.83 175.62 2g0u h ALA 41 N 1.88 -0.01 -0.28 3.38 0.00 -0.65 0.45 119.26 124.03 2g0u h ALA 41 Ca -0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2g0u h ALA 41 Cb 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2g0u h ALA 41 CO 0.02 0.86 -0.02 -0.91 0.00 0.00 0.00 179.25 179.20 2g0u h ASN 42 N 0.11 0.39 -0.10 0.00 2.35 -0.75 -1.34 115.58 116.24 2g0u h ASN 42 Ca -0.20 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.32 2g0u h ASN 42 Cb 2.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.33 2g0u h ASN 42 CO 0.23 0.47 -0.51 0.25 -1.65 0.00 0.00 177.43 176.23 2g0u h LEU 43 N 0.41 0.73 -1.01 1.61 5.85 -0.85 -3.20 115.31 118.86 2g0u h LEU 43 Ca 0.09 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2g0u h LEU 43 Cb 0.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2g0u h LEU 43 CO 0.01 1.11 0.27 0.74 -0.34 0.00 0.00 178.44 180.23 2g0u h THR 44 N 0.52 1.23 -0.42 1.05 2.02 0.84 0.23 112.91 118.38 2g0u h THR 44 Ca 0.02 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2g0u h THR 44 Cb 1.06 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2g0u h THR 44 CO 0.10 0.29 0.28 0.11 0.37 0.00 0.00 175.52 176.67 2g0u h LYS 45 N 0.96 0.54 -1.66 6.66 1.57 -1.32 -3.37 116.57 119.94 2g0u h LYS 45 Ca 0.22 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 2g0u h LYS 45 Cb 0.18 -0.12 -0.27 0.00 0.08 0.00 0.00 32.23 32.10 2g0u h LYS 45 CO -0.02 0.36 -0.65 1.21 -0.57 0.00 0.00 179.45 179.77 2g0u s ASN 46 N -6.67 0.21 0.62 0.86 2.47 -0.60 -5.07 114.94 106.77 2g0u s ASN 46 Ca -0.08 -1.72 0.24 0.00 0.42 0.00 0.00 52.86 51.72 2g0u s ASN 46 Cb 0.17 0.92 1.12 0.00 -1.45 0.00 0.00 41.25 42.01 2g0u s ASN 46 CO 0.73 -0.19 1.59 -0.65 -3.72 0.00 0.00 177.10 174.86 2g0u h PRO 47 N 6.40 0.00 -0.06 0.43 0.11 -0.78 0.73 132.00 138.82 2g0u h PRO 47 Ca 0.09 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 2g0u h PRO 47 Cb 1.06 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.96 2g0u h PRO 47 CO 0.17 0.00 -0.79 -1.13 -0.21 0.00 0.00 178.00 176.04 2g0u n SER 48 N -3.21 1.55 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.47 2g0u n SER 48 Ca 0.09 -2.94 -0.42 0.00 -0.26 0.00 0.00 58.87 55.34 2g0u n SER 48 Cb 0.91 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.73 6.50 0.43 4.04 -1.08 0.25 -4.91 116.67 119.16 2g0u s ASP 49 Ca 0.36 2.64 0.22 0.00 -0.52 0.00 0.00 52.55 55.25 2g0u s ASP 49 Cb 0.38 -2.56 0.92 0.00 -1.46 0.00 0.00 42.92 40.20 2g0u s ASP 49 CO -0.11 -0.97 1.84 1.55 0.52 0.00 0.00 175.17 178.01 2g0u h PRO 50 N 8.76 0.00 0.16 4.34 0.13 -1.96 0.14 132.00 143.57 2g0u h PRO 50 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 2g0u h PRO 50 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.94 0.27 -1.21 1.15 -0.23 0.00 0.00 178.00 178.93 2g0u h THR 51 N 0.00 1.33 -0.87 1.56 2.02 -1.97 0.79 112.91 115.77 2g0u h THR 51 Ca -0.00 -2.52 0.08 0.00 0.77 0.00 0.00 66.41 64.73 2g0u h THR 51 Cb 0.71 2.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.94 2g0u h THR 51 CO 0.04 0.75 0.53 0.00 0.37 0.00 0.00 175.52 177.21 2g0u h ALA 52 N 0.21 1.22 0.13 6.16 0.00 -1.81 0.24 119.26 125.40 2g0u h ALA 52 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 2g0u h ALA 52 Cb 1.91 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2g0u h ALA 52 CO 0.23 0.23 -1.23 1.25 0.00 0.00 0.00 179.25 179.73 2g0u h LEU 53 N 0.93 0.45 -0.74 0.00 5.85 -0.77 0.35 115.31 121.38 2g0u h LEU 53 Ca 0.39 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 53 Cb 0.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2g0u h LEU 53 CO -0.20 1.36 0.36 0.00 -0.34 0.00 0.00 178.44 179.62 2g0u h ALA 54 N 0.58 0.96 0.26 1.25 0.00 -0.67 0.10 119.26 121.73 2g0u h ALA 54 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2g0u h ALA 54 Cb 1.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2g0u h ALA 54 CO 0.20 0.51 -0.12 -0.97 0.00 0.00 0.00 179.25 178.87 2g0u h ASN 55 N 1.04 -0.29 -0.57 0.00 -1.24 -0.43 0.44 115.58 114.53 2g0u h ASN 55 Ca 0.26 -0.17 0.08 0.00 0.71 0.00 0.00 56.30 57.17 2g0u h ASN 55 Cb 0.11 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.17 2g0u h ASN 55 CO -0.03 0.03 0.21 0.22 -1.29 0.00 0.00 177.43 176.56 2g0u h TYR 56 N -0.63 0.37 -0.70 0.67 3.20 -0.92 -0.11 116.97 118.85 2g0u h TYR 56 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 56 Cb 0.45 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2g0u h TYR 56 CO 0.01 0.10 0.16 1.96 -1.64 0.00 0.00 178.16 178.76 2g0u h GLN 57 N 0.39 1.13 -0.17 1.82 1.08 -0.67 0.15 115.11 118.84 2g0u h GLN 57 Ca 0.28 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2g0u h GLN 57 Cb 0.33 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2g0u h GLN 57 CO -0.28 1.00 0.01 1.98 -0.95 0.00 0.00 178.83 180.58 2g0u h MET 58 N 1.07 0.30 -0.24 1.46 4.05 -0.51 0.45 114.93 121.51 2g0u h MET 58 Ca 0.22 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 2g0u h MET 58 Cb 0.38 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2g0u h MET 58 CO 0.00 0.50 -0.37 0.82 0.23 0.00 0.00 176.91 178.09 2g0u h ILE 59 N 0.06 1.29 -0.19 1.77 2.04 -0.98 -2.66 117.51 118.85 2g0u h ILE 59 Ca 0.05 -1.52 -0.11 0.00 1.00 0.00 0.00 64.86 64.29 2g0u h ILE 59 Cb 0.36 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2g0u h ILE 59 CO 0.01 0.48 -0.35 -0.03 0.00 0.00 0.00 178.15 178.26 2g0u h MET 60 N 0.45 0.40 -0.45 2.37 4.05 -0.58 0.90 114.93 122.07 2g0u h MET 60 Ca 0.04 -0.17 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2g0u h MET 60 Cb 0.86 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 2g0u h MET 60 CO 0.07 0.70 0.29 0.77 0.23 0.00 0.00 176.91 178.97 2g0u h SER 61 N 0.34 0.49 -0.38 1.39 0.02 -0.74 0.15 113.55 114.83 2g0u h SER 61 Ca 0.04 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2g0u h SER 61 Cb 0.77 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2g0u h SER 61 CO 0.06 0.35 0.10 -0.08 -1.14 0.00 0.00 176.83 176.12 2g0u h GLU 62 N 0.59 0.60 -0.17 3.45 4.57 -1.16 -1.68 114.58 120.77 2g0u h GLU 62 Ca 0.17 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2g0u h GLU 62 Cb -0.05 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2g0u h GLU 62 CO -0.05 0.63 0.11 -0.92 -1.18 0.00 0.00 179.01 177.60 2g0u h TYR 63 N 0.46 0.23 -0.29 0.92 3.20 -0.67 -1.92 116.97 118.90 2g0u h TYR 63 Ca 0.12 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 2g0u h TYR 63 Cb 0.30 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2g0u h TYR 63 CO 0.02 0.17 -0.49 -0.97 -1.64 0.00 0.00 178.16 175.25 2g0u h ASN 64 N 0.22 0.87 -0.70 -2.11 -0.73 -0.69 -2.01 115.58 110.43 2g0u h ASN 64 Ca 0.06 -0.44 -0.02 0.00 1.87 0.00 0.00 56.30 57.77 2g0u h ASN 64 Cb 0.01 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 2g0u h ASN 64 CO -0.01 1.21 0.34 0.25 -0.37 0.00 0.00 177.43 178.85 2g0u h LEU 65 N 0.63 0.91 -0.09 0.34 5.85 -1.27 0.15 115.31 121.83 2g0u h LEU 65 Ca 0.03 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 65 Cb 1.07 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2g0u h LEU 65 CO 0.11 0.78 0.05 0.22 -0.34 0.00 0.00 178.44 179.26 2g0u h TYR 66 N 0.98 0.12 -0.53 1.25 3.20 -1.19 0.56 116.97 121.36 2g0u h TYR 66 Ca 0.24 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.15 2g0u h TYR 66 Cb 0.11 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2g0u h TYR 66 CO 0.00 0.15 0.28 0.00 -1.64 0.00 0.00 178.16 176.95 2g0u h ARG 67 N 0.05 0.52 -0.03 1.82 -0.00 -1.22 -0.43 114.38 115.11 2g0u h ARG 67 Ca 0.03 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2g0u h ARG 67 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 29.92 2g0u h ARG 67 CO -0.01 0.35 0.02 -0.97 0.00 0.00 0.00 179.97 179.36 2g0u h ASN 68 N 0.54 0.04 -0.43 7.04 -0.73 -0.87 -2.77 115.58 118.40 2g0u h ASN 68 Ca 0.23 -0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.20 2g0u h ASN 68 Cb 0.12 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2g0u h ASN 68 CO -0.15 0.11 -0.19 0.00 -0.37 0.00 0.00 177.43 176.83 2g0u h ALA 69 N 0.93 0.60 -0.93 1.57 0.00 -0.67 0.51 119.26 121.27 2g0u h ALA 69 Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2g0u h ALA 69 Cb 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2g0u h ALA 69 CO -0.00 0.55 0.61 0.37 0.00 0.00 0.00 179.25 180.78 2g0u h GLN 70 N 0.70 1.16 -0.02 0.00 5.75 -1.13 -1.01 115.11 120.56 2g0u h GLN 70 Ca 0.10 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 2g0u h GLN 70 Cb 0.75 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2g0u h GLN 70 CO 0.06 0.77 -0.22 0.77 -2.65 0.00 0.00 178.83 177.55 2g0u h SER 71 N 1.19 0.24 -0.52 -0.69 0.02 -1.28 -3.34 113.55 109.17 2g0u h SER 71 Ca 0.36 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2g0u h SER 71 Cb -0.03 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2g0u h SER 71 CO -0.10 0.91 0.27 -1.28 -1.14 0.00 0.00 176.83 175.49 2g0u h SER 72 N -0.42 0.66 0.11 3.07 0.87 -0.72 -0.67 113.55 116.45 2g0u h SER 72 Ca -0.02 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2g0u h SER 72 Cb 0.93 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2g0u h SER 72 CO 0.05 0.58 -0.05 0.00 -0.53 0.00 0.00 176.83 176.88 2g0u h ALA 73 N 1.11 1.54 0.00 6.23 0.00 -1.34 0.17 119.26 126.96 2g0u h ALA 73 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2g0u h ALA 73 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2g0u h ALA 73 CO -0.03 0.06 -0.56 0.28 0.00 0.00 0.00 179.25 179.00 2g0u h VAL 74 N 0.00 1.31 0.00 0.00 2.07 -1.60 -3.13 116.25 114.90 2g0u h VAL 74 Ca -0.00 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2g0u h VAL 74 Cb 0.12 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2g0u h VAL 74 CO 0.01 0.44 -0.06 0.11 0.02 0.00 0.00 177.57 178.09 2g0u h LYS 75 N -1.00 0.00 -0.05 1.57 1.57 -0.80 -2.96 116.57 114.90 2g0u h LYS 75 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2g0u h LYS 75 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2g0u h LYS 75 CO -0.09 0.06 0.00 0.43 -0.57 0.00 0.00 179.45 179.27 2g0u n SER 76 N -3.43 2.24 -0.32 0.86 7.64 0.02 -4.82 113.62 115.80 2g0u n SER 76 Ca -0.02 -2.21 0.14 0.00 1.01 0.00 0.00 58.87 57.79 2g0u n SER 76 Cb 0.19 -0.12 0.37 0.00 -1.01 0.00 0.00 64.21 63.64 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g0u h MET 77 N 0.32 0.68 0.00 1.43 -1.53 -1.46 0.35 114.93 114.72 2g0u h MET 77 Ca 0.00 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 2g0u h MET 77 Cb 0.64 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.54 2g0u h MET 77 CO 0.01 0.45 -0.09 0.87 0.14 0.00 0.00 176.91 178.29 2g0u h LYS 78 N 0.70 0.00 0.14 0.39 1.57 -1.88 -1.45 116.57 116.04 2g0u h LYS 78 Ca 0.53 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.97 2g0u h LYS 78 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2g0u h LYS 78 CO -0.29 0.09 -1.77 0.22 -0.57 0.00 0.00 179.45 177.13 2g0u h ASP 79 N 0.00 0.46 -0.68 0.86 3.58 -1.35 -3.36 116.42 115.93 2g0u h ASP 79 Ca -0.00 -0.91 0.11 0.00 0.42 0.00 0.00 57.03 56.65 2g0u h ASP 79 Cb 0.33 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2g0u h ASP 79 CO 0.01 1.77 0.45 0.40 -2.88 0.00 0.00 179.24 178.99 2g0u h ILE 80 N -0.05 0.89 0.00 2.25 1.08 -1.06 -0.42 117.51 120.20 2g0u h ILE 80 Ca -0.37 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2g0u h ILE 80 Cb 1.96 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2g0u h ILE 80 CO 0.10 0.09 0.05 -0.78 -0.69 0.00 0.00 178.15 176.91 2g0u h ASP 81 N 0.49 0.00 0.00 1.72 3.58 -1.42 -2.37 116.42 118.42 2g0u h ASP 81 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2g0u h ASP 81 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2g0u h ASP 81 CO -0.10 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.06 2g0u n SER 82 N -2.55 0.12 -2.75 2.28 7.64 -0.44 -4.84 113.62 113.08 2g0u n SER 82 Ca -0.02 -0.47 -0.04 0.00 1.01 0.00 0.00 58.87 59.35 2g0u n SER 82 Cb 0.09 0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.61 1.73 0.33 6.43 7.64 -0.30 -4.95 113.62 123.89 2g0u n SER 83 Ca 0.00 -2.32 0.21 0.00 1.01 0.00 0.00 58.87 57.76 2g0u n SER 83 Cb 0.01 -0.49 1.15 0.00 -1.01 0.00 0.00 64.21 63.87 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 4.65 0.14 -4.19 0.44 6.09 -1.68 -3.44 117.51 119.53 2g0u h ILE 84 Ca -0.10 -0.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.86 2g0u h ILE 84 Cb 1.25 1.00 0.16 0.00 0.47 0.00 0.00 36.82 39.70 2g0u h ILE 84 CO 0.31 0.00 0.38 -0.76 -3.07 0.00 0.00 178.15 175.01 2g0u s LEU 85 N -6.55 3.27 0.00 2.19 1.43 -1.26 -5.00 118.68 112.76 2g0u s LEU 85 Ca -0.05 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2g0u s LEU 85 Cb 0.14 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.77 2g0u s LEU 85 CO 0.45 -2.32 0.51 -0.62 0.23 0.00 0.00 176.35 174.60 2g0u n GLU 86 N -2.85 0.61 -4.23 1.70 1.02 -1.26 -5.11 120.64 110.52 2g0u n GLU 86 Ca 0.13 -0.64 -0.13 0.00 -0.02 0.00 0.00 57.16 56.50 2g0u n GLU 86 Cb 0.50 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 31.12 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2g0u s HIS 87 N -0.25 1.24 0.16 -0.32 3.76 -1.26 -5.19 115.29 113.43 2g0u s HIS 87 Ca 0.00 -1.29 -0.08 0.00 -0.15 0.00 0.00 55.06 53.54 2g0u s HIS 87 Cb 0.00 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 2g0u s HIS 87 CO 0.00 -0.52 0.26 -1.58 -0.85 0.00 0.00 174.74 172.05 2g0u s HIS 88 N -4.01 0.44 0.88 1.40 2.46 -1.26 -5.17 115.29 110.03 2g0u s HIS 88 Ca 0.36 -0.81 -0.12 0.00 0.47 0.00 0.00 55.06 54.97 2g0u s HIS 88 Cb 0.07 -0.10 0.11 0.00 -0.13 0.00 0.00 32.58 32.53 2g0u s HIS 88 CO 0.11 -0.70 1.05 0.72 -2.47 0.00 0.00 174.74 173.45 2g0u n HIS 89 N -0.21 0.65 0.29 3.88 8.25 -1.26 -4.94 115.22 121.88 2g0u n HIS 89 Ca -0.07 0.38 0.15 0.00 -0.26 0.00 0.00 57.72 57.92 2g0u n HIS 89 Cb 0.63 -2.01 0.87 0.00 1.12 0.00 0.00 29.99 30.60 2g0u n HIS 89 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2g0u h HIS 90 N -1.46 0.00 -4.21 4.41 2.76 -2.09 -3.44 115.15 111.11 2g0u h HIS 90 Ca -0.44 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.51 2g0u h HIS 90 Cb 1.28 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.13 2g0u h HIS 90 CO 0.47 0.06 -0.35 -1.58 -1.30 0.00 0.00 177.93 175.22 2g0u s HIS 91 N -4.30 0.94 0.00 5.26 2.46 -1.26 -5.36 115.29 113.03 2g0u s HIS 91 Ca -0.04 -1.18 0.00 0.00 0.47 0.00 0.00 55.06 54.31 2g0u s HIS 91 Cb 0.13 -0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 2g0u s HIS 91 CO 0.54 -0.89 0.00 -2.39 -2.47 0.00 0.00 174.74 169.53