#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n ASP 3 N 0.00 -1.09 0.02 6.55 9.92 -1.26 -4.91 116.55 125.78 3h0m n ASP 3 Ca 0.00 0.31 -0.12 0.00 -0.53 0.00 0.00 54.79 54.45 3h0m n ASP 3 Cb 0.00 -1.31 -0.07 0.00 -0.64 0.00 0.00 41.12 39.10 3h0m n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0m h ARG 4 N -1.80 0.03 -0.86 -1.24 2.43 -2.00 -3.08 114.38 107.85 3h0m h ARG 4 Ca -0.45 -0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.93 3h0m h ARG 4 Cb 1.28 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 3h0m h ARG 4 CO 0.38 0.10 0.31 1.49 -1.51 0.00 0.00 179.97 180.74 3h0m h GLU 5 N -0.06 0.31 -0.10 0.20 4.81 -1.99 -1.27 114.58 116.49 3h0m h GLU 5 Ca 0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3h0m h GLU 5 Cb 0.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3h0m h GLU 5 CO -0.00 0.21 0.05 2.35 -0.73 0.00 0.00 179.01 180.88 3h0m h TRP 6 N 0.32 0.14 -0.51 0.92 7.01 -1.91 0.39 115.95 122.32 3h0m h TRP 6 Ca 0.53 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.54 3h0m h TRP 6 Cb 1.01 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 28.00 3h0m h TRP 6 CO -0.19 0.20 0.32 0.28 -2.79 0.00 0.00 178.44 176.26 3h0m h VAL 7 N 0.03 1.09 -0.01 2.65 2.07 -1.20 0.49 116.25 121.37 3h0m h VAL 7 Ca 0.03 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3h0m h VAL 7 Cb 0.11 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3h0m h VAL 7 CO -0.00 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 3h0m h LEU 8 N 0.65 0.01 -0.51 2.57 3.38 -1.12 -0.76 115.31 119.54 3h0m h LEU 8 Ca 0.19 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.11 3h0m h LEU 8 Cb -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3h0m h LEU 8 CO -0.07 0.15 0.10 0.50 0.09 0.00 0.00 178.44 179.22 3h0m h LYS 9 N -0.12 0.23 -0.29 1.13 3.64 -0.59 0.91 116.57 121.49 3h0m h LYS 9 Ca 0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3h0m h LYS 9 Cb 0.14 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3h0m h LYS 9 CO -0.00 0.16 -0.51 0.82 -2.27 0.00 0.00 179.45 177.64 3h0m h ILE 10 N 0.24 1.28 -0.33 2.00 1.08 -0.88 -2.76 117.51 118.14 3h0m h ILE 10 Ca 0.25 -1.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.04 3h0m h ILE 10 Cb 0.34 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 3h0m h ILE 10 CO -0.33 0.55 0.18 0.00 -0.69 0.00 0.00 178.15 177.86 3h0m h ALA 11 N 0.76 0.41 -0.72 1.87 0.00 -0.60 -2.52 119.26 118.46 3h0m h ALA 11 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3h0m h ALA 11 Cb 1.11 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3h0m h ALA 11 CO 0.11 -0.19 0.41 -0.22 0.00 0.00 0.00 179.25 179.36 3h0m h LYS 12 N 0.36 0.72 -0.06 0.00 3.64 -0.80 0.96 116.57 121.40 3h0m h LYS 12 Ca 0.13 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3h0m h LYS 12 Cb 0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3h0m h LYS 12 CO -0.08 0.48 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.30 3h0m h LEU 13 N 0.74 0.09 -1.91 5.20 3.38 -1.17 -2.73 115.31 118.92 3h0m h LEU 13 Ca 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3h0m h LEU 13 Cb 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h0m h LEU 13 CO -0.19 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3h0m n ALA 14 N -2.49 2.46 -3.25 1.53 0.00 -0.70 -5.00 120.51 113.05 3h0m n ALA 14 Ca -0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 3h0m n ALA 14 Cb 0.29 -0.82 0.07 0.00 0.00 0.00 0.00 19.45 18.99 3h0m n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0m n ARG 15 N 1.32 -2.71 -3.94 0.00 5.12 0.25 -5.02 116.66 111.67 3h0m n ARG 15 Ca 0.14 0.86 -0.30 0.00 -1.93 0.00 0.00 57.85 56.63 3h0m n ARG 15 Cb 0.59 -5.80 -0.16 0.00 -1.16 0.00 0.00 32.46 25.93 3h0m n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0m s LEU 16 N -5.47 2.09 -0.72 0.55 1.43 -0.79 -5.04 118.68 110.73 3h0m s LEU 16 Ca 0.41 -0.87 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 3h0m s LEU 16 Cb -0.05 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.13 3h0m s LEU 16 CO 0.73 -0.18 1.09 -0.70 0.23 0.00 0.00 176.35 177.52 3h0m s GLU 17 N 1.49 3.19 0.19 1.70 2.12 -1.26 -4.38 118.70 121.75 3h0m s GLU 17 Ca -0.01 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 3h0m s GLU 17 Cb -0.16 -4.33 -0.08 0.00 0.26 0.00 0.00 34.13 29.82 3h0m s GLU 17 CO -0.08 -1.93 1.18 -0.51 -0.54 0.00 0.00 175.26 173.39 3h0m s LEU 18 N 4.48 4.46 0.36 2.70 1.43 -1.26 -5.01 118.68 125.83 3h0m s LEU 18 Ca 0.28 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.35 3h0m s LEU 18 Cb -0.13 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3h0m s LEU 18 CO 0.09 -0.34 1.08 -0.54 0.23 0.00 0.00 176.35 176.86 3h0m s LYS 19 N -0.38 4.32 0.47 1.70 1.02 -1.26 -4.90 119.74 120.70 3h0m s LYS 19 Ca 0.52 1.65 0.35 0.00 0.02 0.00 0.00 55.97 58.50 3h0m s LYS 19 Cb -0.32 -2.78 1.49 0.00 -0.52 0.00 0.00 37.83 35.70 3h0m s LYS 19 CO 0.37 -0.04 1.63 1.49 -0.92 0.00 0.00 175.35 177.89 3h0m h GLU 20 N 2.97 0.07 -0.30 1.68 4.57 -2.01 0.94 114.58 122.50 3h0m h GLU 20 Ca -0.48 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 3h0m h GLU 20 Cb 1.22 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3h0m h GLU 20 CO 0.64 0.04 -0.12 0.93 -1.18 0.00 0.00 179.01 179.32 3h0m h GLU 21 N 0.07 0.61 -0.21 1.92 3.07 -2.02 -3.22 114.58 114.80 3h0m h GLU 21 Ca 0.82 -0.26 -0.05 0.00 -0.50 0.00 0.00 59.36 59.38 3h0m h GLU 21 Cb 2.77 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 30.65 3h0m h GLU 21 CO -0.30 0.83 -0.08 0.93 -1.40 0.00 0.00 179.01 178.99 3h0m h GLU 22 N 0.36 0.33 -0.18 2.33 5.08 -1.19 -2.69 114.58 118.62 3h0m h GLU 22 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0m h GLU 22 Cb 0.63 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3h0m h GLU 22 CO 0.04 0.43 0.11 0.82 -1.00 0.00 0.00 179.01 179.40 3h0m h ILE 23 N 0.32 1.08 -0.34 3.13 2.04 -1.53 0.24 117.51 122.45 3h0m h ILE 23 Ca 0.07 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3h0m h ILE 23 Cb 0.35 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3h0m h ILE 23 CO 0.02 0.08 -0.13 -0.33 0.00 0.00 0.00 178.15 177.78 3h0m h GLU 24 N 0.21 0.69 -0.34 2.37 5.08 -1.57 -2.09 114.58 118.93 3h0m h GLU 24 Ca 0.07 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3h0m h GLU 24 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 24 CO -0.01 0.88 0.02 0.28 -1.00 0.00 0.00 179.01 179.18 3h0m h VAL 25 N 0.47 1.25 0.00 3.13 2.07 -1.44 -2.95 116.25 118.78 3h0m h VAL 25 Ca 0.08 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3h0m h VAL 25 Cb 0.66 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3h0m h VAL 25 CO 0.04 0.30 -0.07 -0.26 0.02 0.00 0.00 177.57 177.61 3h0m h PHE 26 N 0.40 0.00 0.12 1.57 0.04 -0.50 -1.17 116.94 117.39 3h0m h PHE 26 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 3h0m h PHE 26 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3h0m h PHE 26 CO 0.03 0.07 -0.06 1.96 -0.60 0.00 0.00 178.31 179.71 3h0m h GLN 27 N 0.00 -0.15 -0.08 1.51 4.20 -1.20 -2.10 115.11 117.29 3h0m h GLN 27 Ca -0.00 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 3h0m h GLN 27 Cb 0.49 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.32 3h0m h GLN 27 CO 0.01 -0.02 -0.64 -0.22 -0.67 0.00 0.00 178.83 177.29 3h0m h LYS 28 N -0.25 0.58 -0.43 1.46 3.64 -1.50 -2.66 116.57 117.41 3h0m h LYS 28 Ca -0.02 -0.52 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3h0m h LYS 28 Cb 0.20 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3h0m h LYS 28 CO 0.03 1.14 0.09 1.96 -2.27 0.00 0.00 179.45 180.39 3h0m h GLN 29 N 0.20 0.70 -0.25 1.90 4.20 -1.29 -1.90 115.11 118.67 3h0m h GLN 29 Ca -0.06 -0.18 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 3h0m h GLN 29 Cb 1.30 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3h0m h GLN 29 CO 0.13 0.72 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.36 3h0m h LEU 30 N 0.57 0.95 -0.42 1.46 3.38 -1.48 -1.54 115.31 118.24 3h0m h LEU 30 Ca 0.13 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3h0m h LEU 30 Cb 0.35 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3h0m h LEU 30 CO 0.01 1.33 0.06 0.28 0.09 0.00 0.00 178.44 180.20 3h0m h SER 31 N 0.61 -0.05 0.15 -0.43 0.02 -1.43 0.12 113.55 112.53 3h0m h SER 31 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3h0m h SER 31 Cb 1.20 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3h0m h SER 31 CO 0.13 0.01 -0.13 0.44 -1.14 0.00 0.00 176.83 176.14 3h0m h ASP 32 N 0.18 -0.34 -0.70 3.07 3.32 -1.22 -1.44 116.42 119.29 3h0m h ASP 32 Ca 0.21 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3h0m h ASP 32 Cb 0.27 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3h0m h ASP 32 CO -0.30 -0.20 0.46 0.40 -1.72 0.00 0.00 179.24 177.88 3h0m h ILE 33 N -0.30 1.12 -0.70 0.35 2.04 -1.05 0.20 117.51 119.17 3h0m h ILE 33 Ca -0.00 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3h0m h ILE 33 Cb 0.27 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3h0m h ILE 33 CO -0.02 0.16 0.21 -0.07 0.00 0.00 0.00 178.15 178.43 3h0m h LEU 34 N 0.86 1.03 -0.83 1.44 4.07 -0.32 -1.56 115.31 120.00 3h0m h LEU 34 Ca 0.27 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 3h0m h LEU 34 Cb 0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 3h0m h LEU 34 CO -0.07 0.97 -0.06 0.44 -1.08 0.00 0.00 178.44 178.64 3h0m h ASP 35 N 1.04 0.79 -0.12 -0.43 3.32 -0.68 -2.92 116.42 117.42 3h0m h ASP 35 Ca 0.23 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3h0m h ASP 35 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3h0m h ASP 35 CO -0.01 0.89 -0.01 0.15 -1.72 0.00 0.00 179.24 178.55 3h0m h PHE 36 N 0.74 0.34 -0.01 4.55 3.57 0.02 -3.12 116.94 123.03 3h0m h PHE 36 Ca 0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3h0m h PHE 36 Cb 0.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3h0m h PHE 36 CO 0.03 0.36 -0.34 0.44 -2.23 0.00 0.00 178.31 176.57 3h0m n ILE 37 N -4.34 0.00 -0.66 1.41 -5.35 -0.65 -4.67 119.36 105.11 3h0m n ILE 37 Ca 0.00 -0.33 -0.16 0.00 -0.27 0.00 0.00 62.75 61.99 3h0m n ILE 37 Cb 0.20 1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 39.28 3h0m n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0m n ASP 38 N -0.02 4.11 -0.03 7.28 9.92 -1.11 -4.23 116.55 132.48 3h0m n ASP 38 Ca 0.08 -2.21 0.04 0.00 -0.53 0.00 0.00 54.79 52.17 3h0m n ASP 38 Cb 0.38 -0.97 -0.05 0.00 -0.64 0.00 0.00 41.12 39.84 3h0m n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h0m n GLN 39 N 3.68 3.67 0.07 -1.24 1.13 -1.26 -4.78 117.38 118.65 3h0m n GLN 39 Ca 0.36 -0.07 0.12 0.00 -1.94 0.00 0.00 57.00 55.47 3h0m n GLN 39 Cb 0.26 -0.96 0.12 0.00 0.11 0.00 0.00 30.24 29.77 3h0m n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0m h LEU 40 N 0.13 0.00 -0.79 1.08 3.38 -1.99 -3.30 115.31 113.83 3h0m h LEU 40 Ca 0.00 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.89 3h0m h LEU 40 Cb 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3h0m h LEU 40 CO 0.00 0.10 0.40 0.11 0.09 0.00 0.00 178.44 179.14 3h0m h LYS 41 N 0.00 0.62 -1.12 1.13 1.57 -1.94 -2.31 116.57 114.53 3h0m h LYS 41 Ca 0.00 -0.04 0.32 0.00 -1.87 0.00 0.00 60.65 59.07 3h0m h LYS 41 Cb 0.79 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3h0m h LYS 41 CO 0.00 0.41 1.07 0.93 -0.57 0.00 0.00 179.45 181.29 3h0m h GLU 42 N 0.64 0.00 -6.08 3.15 5.08 -1.95 -3.41 114.58 112.01 3h0m h GLU 42 Ca 0.40 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.18 3h0m h GLU 42 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3h0m h GLU 42 CO -0.31 0.00 -0.39 -0.51 -1.00 0.00 0.00 179.01 176.80 3h0m s LEU 43 N -7.14 4.30 -0.31 1.33 1.43 -0.87 -5.07 118.68 112.35 3h0m s LEU 43 Ca -0.04 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 3h0m s LEU 43 Cb 0.18 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3h0m s LEU 43 CO 0.60 0.07 0.33 -0.62 0.23 0.00 0.00 176.35 176.97 3h0m s ASP 44 N -2.68 6.17 0.00 2.29 2.15 -1.26 -4.91 116.67 118.43 3h0m s ASP 44 Ca 0.38 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.33 3h0m s ASP 44 Cb -0.12 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3h0m s ASP 44 CO 0.27 -0.24 0.51 0.35 -0.17 0.00 0.00 175.17 175.89 3h0m n THR 45 N 5.17 0.11 -1.58 1.71 -2.24 -1.26 -4.85 114.28 111.34 3h0m n THR 45 Ca -0.10 -0.50 -0.51 0.00 -2.27 0.00 0.00 64.05 60.67 3h0m n THR 45 Cb 0.50 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 3h0m n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0m n GLU 46 N -0.06 1.04 -1.00 -0.78 -0.58 -1.26 -1.72 120.64 116.29 3h0m n GLU 46 Ca 0.00 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 3h0m n GLU 46 Cb 0.06 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 3h0m n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h0m n ASN 47 N 2.27 -4.10 -4.56 1.62 3.02 -1.26 -5.00 115.26 107.25 3h0m n ASN 47 Ca 0.17 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 3h0m n ASN 47 Cb 0.20 -1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 37.63 3h0m n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0m s VAL 48 N -1.63 4.77 0.03 2.41 1.01 -0.70 -5.10 120.40 121.19 3h0m s VAL 48 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3h0m s VAL 48 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3h0m s VAL 48 CO 0.00 0.37 1.19 -1.61 0.00 0.00 0.00 175.10 175.04 3h0m s GLU 49 N 1.14 4.42 0.40 2.72 0.41 -1.26 -5.01 118.70 121.52 3h0m s GLU 49 Ca 0.05 1.72 -0.23 0.00 -0.41 0.00 0.00 54.97 56.10 3h0m s GLU 49 Cb -0.14 -3.41 -0.13 0.00 -1.78 0.00 0.00 34.13 28.68 3h0m s GLU 49 CO 0.04 -0.29 0.64 -0.35 -0.49 0.00 0.00 175.26 174.82 3h0m n PRO 50 N 4.22 0.70 -1.91 0.39 -0.04 -1.26 -4.87 135.00 132.22 3h0m n PRO 50 Ca 0.09 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 3h0m n PRO 50 Cb 0.47 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3h0m n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0m s TYR 51 N -1.38 2.31 0.06 0.54 5.04 -1.26 -5.03 117.35 117.63 3h0m s TYR 51 Ca 0.63 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.55 3h0m s TYR 51 Cb -0.63 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 37.67 3h0m s TYR 51 CO 0.58 -3.99 -0.10 0.96 -1.34 0.00 0.00 175.55 171.66 3h0m s ILE 52 N 2.86 0.80 0.74 3.14 -4.36 -1.26 -5.14 121.20 117.98 3h0m s ILE 52 Ca 0.75 -1.24 -0.13 0.00 -0.26 0.00 0.00 60.65 59.77 3h0m s ILE 52 Cb -0.40 -0.88 0.04 0.00 1.25 0.00 0.00 42.46 42.47 3h0m s ILE 52 CO 0.33 -0.35 1.13 0.00 0.24 0.00 0.00 174.94 176.28 3h0m s GLN 53 N -1.80 2.31 0.08 0.37 -2.07 -1.26 -4.97 119.66 112.32 3h0m s GLN 53 Ca -0.05 1.41 -0.25 0.00 -1.82 0.00 0.00 55.36 54.65 3h0m s GLN 53 Cb -0.09 -1.89 -0.06 0.00 -1.09 0.00 0.00 33.01 29.88 3h0m s GLN 53 CO 0.01 -1.64 0.77 -1.21 -1.32 0.00 0.00 175.29 171.90 3h0m s GLU 54 N -4.37 4.52 -0.11 9.60 2.02 -1.26 -5.05 118.70 124.04 3h0m s GLU 54 Ca 0.66 1.09 -0.23 0.00 0.02 0.00 0.00 54.97 56.52 3h0m s GLU 54 Cb -0.21 -3.33 0.05 0.00 0.10 0.00 0.00 34.13 30.74 3h0m s GLU 54 CO 0.48 0.38 0.55 -0.59 0.02 0.00 0.00 175.26 176.11 3h0m s PHE 55 N -0.42 -0.54 -0.12 1.61 -0.71 -1.26 -5.07 117.98 111.47 3h0m s PHE 55 Ca 0.38 1.11 -0.24 0.00 -1.04 0.00 0.00 56.93 57.13 3h0m s PHE 55 Cb -0.21 0.26 -0.26 0.00 -1.21 0.00 0.00 43.02 41.59 3h0m s PHE 55 CO 0.24 -0.43 0.68 1.49 -1.34 0.00 0.00 175.22 175.86 3h0m h GLU 56 N 4.14 0.10 -4.96 1.99 4.57 -2.07 -3.48 114.58 114.87 3h0m h GLU 56 Ca -0.28 -0.18 -0.31 0.00 -1.18 0.00 0.00 59.36 57.41 3h0m h GLU 56 Cb 1.16 0.07 -0.17 0.00 -0.16 0.00 0.00 28.75 29.65 3h0m h GLU 56 CO 0.29 1.08 -0.72 -1.21 -1.18 0.00 0.00 179.01 177.27 3h0m s GLU 57 N -2.33 0.90 -0.08 1.92 2.02 -1.26 -5.12 118.70 114.75 3h0m s GLU 57 Ca -0.19 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.26 3h0m s GLU 57 Cb 0.00 -0.53 -0.03 0.00 0.10 0.00 0.00 34.13 33.68 3h0m s GLU 57 CO 0.72 0.07 1.28 0.99 0.02 0.00 0.00 175.26 178.34 3h0m s THR 58 N -2.75 4.12 -0.03 3.63 2.01 -1.26 -4.98 115.64 116.38 3h0m s THR 58 Ca 0.09 1.43 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 3h0m s THR 58 Cb -0.01 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3h0m s THR 58 CO -0.00 -0.05 1.46 -2.16 -0.69 0.00 0.00 174.62 173.18 3h0m s PRO 59 N 2.77 4.24 0.23 4.92 0.04 -1.26 -5.01 135.00 140.93 3h0m s PRO 59 Ca 0.58 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.64 3h0m s PRO 59 Cb -0.25 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 3h0m s PRO 59 CO 0.21 -0.67 0.04 -1.64 0.04 0.00 0.00 177.00 174.98 3h0m s MET 60 N 2.98 1.31 -0.04 4.56 -1.94 -1.26 -5.16 119.30 119.75 3h0m s MET 60 Ca 0.65 -1.67 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 3h0m s MET 60 Cb -0.31 -0.38 0.00 0.00 2.01 0.00 0.00 34.83 36.15 3h0m s MET 60 CO 0.26 -0.19 -0.13 0.50 -0.01 0.00 0.00 175.02 175.45 3h0m s ARG 61 N -3.95 1.35 0.79 2.03 3.52 -1.26 -5.13 118.95 116.30 3h0m s ARG 61 Ca 0.31 -0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 3h0m s ARG 61 Cb 0.07 -1.21 0.07 0.00 -1.56 0.00 0.00 34.95 32.32 3h0m s ARG 61 CO 0.09 0.17 1.17 0.39 -0.81 0.00 0.00 175.30 176.31 3h0m n GLU 62 N 3.26 0.29 -1.86 5.12 -0.58 -1.26 -4.90 120.64 120.71 3h0m n GLU 62 Ca -0.18 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 3h0m n GLU 62 Cb 0.54 -2.42 -0.00 0.00 -0.57 0.00 0.00 31.44 28.99 3h0m n GLU 62 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3h0m n ASP 63 N -2.97 4.99 -4.20 1.62 2.03 -1.26 -4.90 116.55 111.86 3h0m n ASP 63 Ca 0.14 -2.90 -0.32 0.00 0.52 0.00 0.00 54.79 52.23 3h0m n ASP 63 Cb 0.50 -1.58 -0.17 0.00 -0.72 0.00 0.00 41.12 39.15 3h0m n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0m s GLU 64 N 2.08 2.95 0.31 -0.67 2.02 -1.26 -5.12 118.70 119.01 3h0m s GLU 64 Ca 0.48 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 3h0m s GLU 64 Cb 0.14 -2.26 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 3h0m s GLU 64 CO -0.06 0.14 1.33 -2.14 0.02 0.00 0.00 175.26 174.55 3h0m s PRO 65 N 0.44 4.34 0.00 0.39 0.02 -1.26 -5.04 135.00 133.90 3h0m s PRO 65 Ca -0.17 2.22 0.05 0.00 0.02 0.00 0.00 61.00 63.12 3h0m s PRO 65 Cb -0.17 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3h0m s PRO 65 CO 0.07 -0.23 -0.13 -1.01 -0.33 0.00 0.00 177.00 175.36 3h0m s HIS 66 N -0.87 2.70 -0.13 6.54 3.76 -1.26 -5.07 115.29 120.96 3h0m s HIS 66 Ca 0.51 -0.16 -0.38 0.00 -0.15 0.00 0.00 55.06 54.88 3h0m s HIS 66 Cb -0.40 -1.55 -0.16 0.00 1.11 0.00 0.00 32.58 31.58 3h0m s HIS 66 CO 0.50 0.27 1.61 -2.30 -0.85 0.00 0.00 174.74 173.97 3h0m n PRO 67 N 1.76 1.24 -1.22 8.40 -0.02 -1.26 -4.94 135.00 138.97 3h0m n PRO 67 Ca -0.16 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 3h0m n PRO 67 Cb 0.52 -2.14 0.10 0.00 -0.02 0.00 0.00 33.50 31.97 3h0m n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0m s SER 68 N 2.44 4.37 0.29 2.55 0.01 -1.26 -4.99 113.70 117.10 3h0m s SER 68 Ca 0.93 1.84 -0.29 0.00 1.31 0.00 0.00 55.95 59.73 3h0m s SER 68 Cb -1.00 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 62.62 3h0m s SER 68 CO 0.57 -2.13 1.39 -0.22 0.41 0.00 0.00 173.24 173.27 3h0m s LEU 69 N -5.98 4.40 0.33 2.44 2.96 -1.26 -4.95 118.68 116.61 3h0m s LEU 69 Ca 0.62 2.70 -0.29 0.00 -0.22 0.00 0.00 54.13 56.93 3h0m s LEU 69 Cb -0.18 -3.64 -0.12 0.00 0.50 0.00 0.00 46.19 42.76 3h0m s LEU 69 CO 0.56 -0.65 1.42 -0.67 -1.32 0.00 0.00 176.35 175.69 3h0m n ASP 70 N 1.66 3.29 0.24 3.68 2.03 -1.26 -4.81 116.55 121.38 3h0m n ASP 70 Ca 0.04 1.20 0.07 0.00 0.52 0.00 0.00 54.79 56.61 3h0m n ASP 70 Cb 0.41 -1.54 0.56 0.00 -0.72 0.00 0.00 41.12 39.83 3h0m n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0m h ARG 71 N 3.29 0.00 -0.38 -0.67 2.43 -1.98 -1.24 114.38 115.83 3h0m h ARG 71 Ca -0.48 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 3h0m h ARG 71 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3h0m h ARG 71 CO 0.68 0.12 -0.31 1.49 -1.51 0.00 0.00 179.97 180.44 3h0m h GLU 72 N 0.00 0.85 -0.14 0.20 4.81 -1.98 -0.83 114.58 117.49 3h0m h GLU 72 Ca -0.00 -0.40 -0.15 0.00 -0.13 0.00 0.00 59.36 58.68 3h0m h GLU 72 Cb 0.22 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3h0m h GLU 72 CO 0.02 1.04 -0.54 0.87 -0.73 0.00 0.00 179.01 179.66 3h0m h LYS 73 N 0.71 0.41 -0.10 1.92 1.57 -1.79 0.34 116.57 119.63 3h0m h LYS 73 Ca 0.08 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3h0m h LYS 73 Cb 0.87 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3h0m h LYS 73 CO 0.08 0.85 -0.22 0.00 -0.57 0.00 0.00 179.45 179.59 3h0m h ALA 74 N 1.10 1.45 0.00 3.86 0.00 -1.03 -3.29 119.26 121.35 3h0m h ALA 74 Ca 0.01 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 3h0m h ALA 74 Cb 1.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3h0m h ALA 74 CO 0.09 0.39 -2.18 1.28 0.00 0.00 0.00 179.25 178.84 3h0m n LEU 75 N -4.21 0.00 -0.41 0.00 7.99 -0.34 -4.65 117.00 115.37 3h0m n LEU 75 Ca -0.01 0.00 0.34 0.00 -0.01 0.00 0.00 56.01 56.33 3h0m n LEU 75 Cb 0.32 0.30 0.65 0.00 -0.11 0.00 0.00 43.42 44.58 3h0m n LEU 75 CO 0.38 0.30 1.27 0.00 -1.51 0.00 0.00 177.39 177.84 3h0m h MET 76 N 0.00 0.14 -0.01 3.23 -0.00 -0.38 0.40 114.93 118.32 3h0m h MET 76 Ca -0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 3h0m h MET 76 Cb 1.74 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 33.31 3h0m h MET 76 CO 0.02 0.10 -0.15 0.09 -0.00 0.00 0.00 176.91 176.96 3h0m n ASN 77 N -4.50 0.90 -4.70 -0.10 3.02 -1.26 -4.92 115.26 103.71 3h0m n ASN 77 Ca 0.32 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 3h0m n ASN 77 Cb 1.30 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.48 3h0m n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0m s ALA 78 N -2.37 3.65 0.48 5.41 0.00 0.14 -4.90 121.76 124.16 3h0m s ALA 78 Ca 0.29 1.11 0.32 0.00 0.00 0.00 0.00 51.96 53.68 3h0m s ALA 78 Cb 0.20 -3.64 1.42 0.00 0.00 0.00 0.00 23.12 21.10 3h0m s ALA 78 CO 0.46 -0.95 1.72 -1.35 0.00 0.00 0.00 175.76 175.65 3h0m h PRO 79 N 7.81 0.13 -1.89 0.00 0.11 -1.91 -3.40 132.00 132.84 3h0m h PRO 79 Ca -0.41 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.75 3h0m h PRO 79 Cb 1.20 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 3h0m h PRO 79 CO 0.91 0.09 -0.19 -2.00 -0.21 0.00 0.00 178.00 176.60 3h0m s GLU 80 N -5.18 0.54 0.18 1.05 2.12 -1.26 -5.10 118.70 111.05 3h0m s GLU 80 Ca -0.07 1.31 0.11 0.00 0.36 0.00 0.00 54.97 56.68 3h0m s GLU 80 Cb 0.26 0.72 -0.04 0.00 0.26 0.00 0.00 34.13 35.33 3h0m s GLU 80 CO 0.82 -0.29 -0.23 -0.98 -0.54 0.00 0.00 175.26 174.04 3h0m s ARG 81 N 2.85 1.54 -0.14 4.30 1.70 -1.26 -1.03 118.95 126.90 3h0m s ARG 81 Ca -0.01 -1.47 -0.06 0.00 -0.47 0.00 0.00 55.73 53.72 3h0m s ARG 81 Cb -0.13 -1.88 0.06 0.00 -0.57 0.00 0.00 34.95 32.43 3h0m s ARG 81 CO -0.18 0.41 0.31 0.21 -1.08 0.00 0.00 175.30 174.97 3h0m s LYS 82 N -2.56 0.25 -1.12 3.89 2.20 -0.51 -4.91 119.74 116.97 3h0m s LYS 82 Ca 0.20 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 3h0m s LYS 82 Cb -0.08 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3h0m s LYS 82 CO 0.09 -0.20 0.00 -0.25 -0.36 0.00 0.00 175.35 174.63 3h0m n ASP 83 N 4.65 -3.41 0.00 1.43 8.00 -1.26 -0.39 116.55 125.56 3h0m n ASP 83 Ca -0.18 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3h0m n ASP 83 Cb 0.52 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 3h0m n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 84 N -0.50 0.84 3.50 0.44 0.00 -1.26 -5.09 105.19 103.11 3h0m n GLY 84 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3h0m n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 85 N -2.07 2.57 0.43 1.61 0.08 0.48 -5.11 117.98 115.97 3h0m s PHE 85 Ca 0.00 -0.24 -0.22 0.00 0.12 0.00 0.00 56.93 56.58 3h0m s PHE 85 Cb 0.00 -1.38 -0.09 0.00 -0.57 0.00 0.00 43.02 40.98 3h0m s PHE 85 CO 0.00 0.37 1.04 -0.06 -0.10 0.00 0.00 175.22 176.47 3h0m s PHE 86 N -1.12 3.18 -0.11 0.36 0.08 -1.26 -1.43 117.98 117.68 3h0m s PHE 86 Ca 0.18 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.88 3h0m s PHE 86 Cb -0.11 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3h0m s PHE 86 CO 0.10 -0.65 -0.22 0.08 -0.10 0.00 0.00 175.22 174.44 3h0m s VAL 87 N -1.81 1.94 0.15 -0.44 1.01 -0.20 -4.82 120.40 116.23 3h0m s VAL 87 Ca 0.61 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3h0m s VAL 87 Cb -0.19 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3h0m s VAL 87 CO 0.24 0.53 -0.03 0.68 0.00 0.00 0.00 175.10 176.52 3h0m s VAL 88 N 0.54 0.75 0.35 2.92 -7.23 -1.26 -4.57 120.40 111.90 3h0m s VAL 88 Ca -0.15 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.76 3h0m s VAL 88 Cb -0.17 -1.99 -0.11 0.00 0.56 0.00 0.00 36.38 34.68 3h0m s VAL 88 CO 0.05 -0.60 1.47 -2.16 -0.31 0.00 0.00 175.10 173.55 3h0m s PRO 89 N -3.87 4.16 0.06 4.82 0.04 -1.26 -4.86 135.00 134.09 3h0m s PRO 89 Ca 0.20 2.50 -0.35 0.00 0.04 0.00 0.00 61.00 63.39 3h0m s PRO 89 Cb 0.05 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.41 3h0m s PRO 89 CO 0.02 -0.48 0.86 -2.13 0.04 0.00 0.00 177.00 175.30 3h0m n ARG 90 N 0.83 0.00 -4.12 4.56 0.63 -1.26 -5.01 116.66 112.30 3h0m n ARG 90 Ca 0.02 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.61 3h0m n ARG 90 Cb 0.39 -1.30 -0.07 0.00 0.45 0.00 0.00 32.46 31.94 3h0m n ARG 90 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h0m s VAL 91 N -0.32 4.82 -2.00 5.15 -7.23 -1.26 -5.33 120.40 114.23 3h0m s VAL 91 Ca 0.80 -0.22 0.27 0.00 -1.81 0.00 0.00 61.98 61.01 3h0m s VAL 91 Cb -1.12 -3.14 0.76 0.00 0.56 0.00 0.00 36.38 33.44 3h0m s VAL 91 CO 0.55 0.47 1.95 0.55 -0.31 0.00 0.00 175.10 178.31