#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 -3.19 0.29 6.55 9.92 -1.26 -4.90 116.55 123.97 3h0m n ASP 3 Ca 0.00 0.39 -0.16 0.00 -0.53 0.00 0.00 54.79 54.49 3h0m n ASP 3 Cb 0.00 -1.04 -0.08 0.00 -0.64 0.00 0.00 41.12 39.36 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 -0.92 -0.70 -0.97 -1.24 2.43 -2.00 -3.02 114.38 107.96 3h0m h ARG 4 Ca -0.44 0.05 0.30 0.00 -0.81 0.00 0.00 59.98 59.08 3h0m h ARG 4 Cb 1.32 0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.86 3h0m h ARG 4 CO 0.34 -0.42 0.24 1.49 -1.51 0.00 0.00 179.97 180.11 3h0m h GLU 5 N -0.84 0.07 -0.28 0.20 4.81 -1.99 0.20 114.58 116.74 3h0m h GLU 5 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3h0m h GLU 5 Cb 0.60 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3h0m h GLU 5 CO 0.12 0.04 0.18 2.35 -0.73 0.00 0.00 179.01 180.97 3h0m h TRP 6 N 0.07 0.36 -0.82 0.92 7.01 -1.91 -1.35 115.95 120.23 3h0m h TRP 6 Ca 0.66 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.63 3h0m h TRP 6 Cb 1.49 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.40 3h0m h TRP 6 CO -0.29 0.24 0.37 0.28 -2.79 0.00 0.00 178.44 176.25 3h0m h VAL 7 N 0.36 1.26 -0.47 2.65 2.07 -0.52 -1.54 116.25 120.06 3h0m h VAL 7 Ca 0.10 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 3h0m h VAL 7 Cb -0.02 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3h0m h VAL 7 CO -0.02 0.32 -0.24 -0.07 0.02 0.00 0.00 177.57 177.59 3h0m h LEU 8 N 1.18 1.01 -0.17 2.57 3.38 -1.15 -1.22 115.31 120.91 3h0m h LEU 8 Ca 0.28 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3h0m h LEU 8 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3h0m h LEU 8 CO -0.03 1.19 0.10 0.50 0.09 0.00 0.00 178.44 180.29 3h0m h LYS 9 N 0.84 0.23 -0.41 1.13 3.64 -1.02 -0.92 116.57 120.06 3h0m h LYS 9 Ca 0.10 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 3h0m h LYS 9 Cb 0.81 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3h0m h LYS 9 CO 0.07 0.20 -0.32 0.82 -2.27 0.00 0.00 179.45 177.96 3h0m h ILE 10 N 0.20 1.27 -0.67 2.00 1.08 -1.26 -2.31 117.51 117.82 3h0m h ILE 10 Ca 0.06 -1.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3h0m h ILE 10 Cb 0.03 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 3h0m h ILE 10 CO -0.01 0.50 0.41 0.00 -0.69 0.00 0.00 178.15 178.36 3h0m h ALA 11 N 0.85 0.85 -0.05 1.87 0.00 -1.12 -1.53 119.26 120.14 3h0m h ALA 11 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h0m h ALA 11 Cb 0.90 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h0m h ALA 11 CO 0.08 0.32 0.03 -0.22 0.00 0.00 0.00 179.25 179.46 3h0m h LYS 12 N 0.91 0.06 -0.74 0.00 3.64 -1.05 0.35 116.57 119.75 3h0m h LYS 12 Ca 0.24 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 3h0m h LYS 12 Cb -0.04 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3h0m h LYS 12 CO -0.05 0.08 0.49 -0.07 -2.27 0.00 0.00 179.45 177.63 3h0m h LEU 13 N 0.03 0.70 -1.28 5.20 3.38 -1.10 -1.26 115.31 120.97 3h0m h LEU 13 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h0m h LEU 13 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h0m h LEU 13 CO -0.00 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3h0m n ALA 14 N -2.44 2.54 -3.37 1.53 0.00 -0.60 -4.98 120.51 113.17 3h0m n ALA 14 Ca 0.11 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.83 3h0m n ALA 14 Cb 0.21 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 0.55 -2.64 -3.91 0.00 5.12 0.11 -5.01 116.66 110.87 3h0m n ARG 15 Ca 0.17 0.78 -0.29 0.00 -1.93 0.00 0.00 57.85 56.58 3h0m n ARG 15 Cb 0.43 -5.48 -0.16 0.00 -1.16 0.00 0.00 32.46 26.09 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 -5.76 2.03 -0.80 0.55 1.43 -0.34 -5.03 118.68 110.75 3h0m s LEU 16 Ca 0.39 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 3h0m s LEU 16 Cb -0.07 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.17 3h0m s LEU 16 CO 0.77 -0.20 1.18 -0.70 0.23 0.00 0.00 176.35 177.62 3h0m s GLU 17 N 1.53 3.30 0.19 1.70 2.12 -1.26 -4.43 118.70 121.85 3h0m s GLU 17 Ca -0.02 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.16 3h0m s GLU 17 Cb -0.17 -4.54 -0.08 0.00 0.26 0.00 0.00 34.13 29.60 3h0m s GLU 17 CO -0.07 -1.99 1.13 -0.51 -0.54 0.00 0.00 175.26 173.28 3h0m s LEU 18 N 4.55 4.48 0.41 2.70 1.43 -1.26 -5.02 118.68 125.98 3h0m s LEU 18 Ca 0.32 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 3h0m s LEU 18 Cb -0.09 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3h0m s LEU 18 CO 0.05 -0.26 1.04 -0.54 0.23 0.00 0.00 176.35 176.86 3h0m s LYS 19 N -0.49 4.13 0.44 1.70 1.02 -1.26 -4.89 119.74 120.39 3h0m s LYS 19 Ca 0.50 1.46 0.20 0.00 0.02 0.00 0.00 55.97 58.14 3h0m s LYS 19 Cb -0.31 -2.46 1.14 0.00 -0.52 0.00 0.00 37.83 35.69 3h0m s LYS 19 CO 0.36 -0.16 1.86 1.49 -0.92 0.00 0.00 175.35 177.99 3h0m h GLU 20 N 2.34 0.33 -0.42 1.68 4.57 -2.01 -0.35 114.58 120.73 3h0m h GLU 20 Ca -0.48 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 3h0m h GLU 20 Cb 1.21 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3h0m h GLU 20 CO 0.62 0.22 0.26 0.93 -1.18 0.00 0.00 179.01 179.86 3h0m h GLU 21 N 0.34 0.52 -0.29 1.92 3.07 -2.01 -3.11 114.58 115.02 3h0m h GLU 21 Ca 0.46 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 3h0m h GLU 21 Cb 1.24 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3h0m h GLU 21 CO -0.15 0.35 0.12 0.93 -1.40 0.00 0.00 179.01 178.85 3h0m h GLU 22 N 0.54 0.44 -0.78 2.33 5.08 -1.45 -2.51 114.58 118.22 3h0m h GLU 22 Ca 0.16 -0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.61 3h0m h GLU 22 Cb -0.03 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.04 3h0m h GLU 22 CO -0.05 0.45 0.25 0.82 -1.00 0.00 0.00 179.01 179.48 3h0m h ILE 23 N 0.33 0.52 -0.11 3.13 2.04 -1.41 0.50 117.51 122.51 3h0m h ILE 23 Ca 0.10 -0.11 -0.22 0.00 1.00 0.00 0.00 64.86 65.62 3h0m h ILE 23 Cb 0.18 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3h0m h ILE 23 CO -0.01 0.06 -0.81 -0.33 0.00 0.00 0.00 178.15 177.07 3h0m h GLU 24 N 0.33 0.73 -0.14 2.37 5.08 -1.47 -2.73 114.58 118.76 3h0m h GLU 24 Ca 0.45 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3h0m h GLU 24 Cb 0.78 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3h0m h GLU 24 CO -0.50 1.25 -0.02 0.28 -1.00 0.00 0.00 179.01 179.01 3h0m h VAL 25 N 0.44 1.28 0.00 3.13 2.07 -0.95 -2.93 116.25 119.29 3h0m h VAL 25 Ca -0.07 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h0m h VAL 25 Cb 1.45 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3h0m h VAL 25 CO 0.16 0.27 0.00 -0.26 0.02 0.00 0.00 177.57 177.77 3h0m h PHE 26 N -0.04 0.00 0.05 1.57 0.04 -0.10 -1.51 116.94 116.95 3h0m h PHE 26 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3h0m h PHE 26 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3h0m h PHE 26 CO 0.05 0.00 -0.02 1.96 -0.60 0.00 0.00 178.31 179.69 3h0m h GLN 27 N 0.00 -0.07 -0.11 1.51 4.20 -1.29 -1.96 115.11 117.40 3h0m h GLN 27 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3h0m h GLN 27 Cb 0.37 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.17 3h0m h GLN 27 CO 0.00 0.29 -0.60 -0.22 -0.67 0.00 0.00 178.83 177.63 3h0m h LYS 28 N -0.43 0.60 -0.65 1.46 3.64 -1.51 -2.62 116.57 117.06 3h0m h LYS 28 Ca -0.01 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3h0m h LYS 28 Cb 0.38 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3h0m h LYS 28 CO 0.01 1.12 0.32 1.96 -2.27 0.00 0.00 179.45 180.60 3h0m h GLN 29 N 0.23 0.93 -0.12 1.90 4.20 -1.38 -0.06 115.11 120.82 3h0m h GLN 29 Ca -0.04 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.34 3h0m h GLN 29 Cb 1.24 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.86 3h0m h GLN 29 CO 0.12 0.73 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.24 3h0m h LEU 30 N 0.90 0.83 -0.72 1.46 3.38 -1.43 -1.76 115.31 117.96 3h0m h LEU 30 Ca 0.22 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.66 3h0m h LEU 30 Cb 0.10 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3h0m h LEU 30 CO -0.03 1.34 0.34 0.28 0.09 0.00 0.00 178.44 180.46 3h0m h SER 31 N 0.37 0.40 -0.15 -0.43 0.02 -1.33 0.14 113.55 112.58 3h0m h SER 31 Ca -0.05 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3h0m h SER 31 Cb 1.35 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3h0m h SER 31 CO 0.15 0.21 0.09 0.44 -1.14 0.00 0.00 176.83 176.58 3h0m h ASP 32 N 0.55 0.18 -0.27 3.07 3.32 -0.86 -1.94 116.42 120.48 3h0m h ASP 32 Ca 0.37 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 3h0m h ASP 32 Cb 0.45 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3h0m h ASP 32 CO -0.31 0.16 -0.19 0.40 -1.72 0.00 0.00 179.24 177.58 3h0m h ILE 33 N 0.18 1.27 -0.88 0.35 2.04 -0.88 0.22 117.51 119.80 3h0m h ILE 33 Ca 0.05 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3h0m h ILE 33 Cb 0.01 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3h0m h ILE 33 CO -0.01 0.42 0.51 -0.07 0.00 0.00 0.00 178.15 179.00 3h0m h LEU 34 N 0.64 1.08 -0.40 1.44 4.07 -0.54 0.83 115.31 122.43 3h0m h LEU 34 Ca 0.10 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 3h0m h LEU 34 Cb 0.68 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3h0m h LEU 34 CO 0.05 0.85 -0.19 0.44 -1.08 0.00 0.00 178.44 178.51 3h0m h ASP 35 N 1.22 0.86 -0.45 -0.43 3.32 -0.97 -2.82 116.42 117.16 3h0m h ASP 35 Ca 0.31 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 57.04 3h0m h ASP 35 Cb -0.01 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.23 3h0m h ASP 35 CO -0.05 1.07 0.06 0.15 -1.72 0.00 0.00 179.24 178.75 3h0m h PHE 36 N 0.65 0.08 -0.00 4.55 3.57 0.40 -3.02 116.94 123.17 3h0m h PHE 36 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h0m h PHE 36 Cb 0.74 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3h0m h PHE 36 CO 0.06 -0.03 -0.43 0.44 -2.23 0.00 0.00 178.31 176.11 3h0m n ILE 37 N -5.14 0.00 -1.57 1.41 -5.35 0.20 -4.54 119.36 104.37 3h0m n ILE 37 Ca 0.04 -0.01 -0.40 0.00 -0.27 0.00 0.00 62.75 62.11 3h0m n ILE 37 Cb 0.22 0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.29 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 -1.45 7.09 -0.27 7.28 8.00 -1.07 -4.23 116.55 131.90 3h0m n ASP 38 Ca 0.06 -2.74 0.06 0.00 0.71 0.00 0.00 54.79 52.88 3h0m n ASP 38 Cb 0.34 -1.56 -0.00 0.00 -0.02 0.00 0.00 41.12 39.87 3h0m n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0m n GLN 39 N 4.10 1.94 0.13 -1.24 1.13 -1.26 -4.78 117.38 117.41 3h0m n GLN 39 Ca 0.67 -0.67 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 3h0m n GLN 39 Cb 0.29 -1.15 0.02 0.00 0.11 0.00 0.00 30.24 29.51 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 1.34 0.00 -0.82 1.08 3.38 -1.98 -3.31 115.31 114.99 3h0m h LEU 40 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3h0m h LEU 40 Cb 0.41 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 3h0m h LEU 40 CO 0.00 0.41 0.29 0.11 0.09 0.00 0.00 178.44 179.34 3h0m h LYS 41 N 0.00 0.34 -1.61 1.13 1.57 -1.95 -1.09 116.57 114.97 3h0m h LYS 41 Ca -0.03 -0.02 0.48 0.00 -1.87 0.00 0.00 60.65 59.21 3h0m h LYS 41 Cb 1.34 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.49 3h0m h LYS 41 CO 0.05 0.23 1.13 0.93 -0.57 0.00 0.00 179.45 181.21 3h0m h GLU 42 N 0.35 0.03 -6.32 3.15 5.08 -1.95 -3.41 114.58 111.51 3h0m h GLU 42 Ca 0.48 -0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.28 3h0m h GLU 42 Cb 0.85 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3h0m h GLU 42 CO -0.51 0.02 -0.15 -0.51 -1.00 0.00 0.00 179.01 176.86 3h0m s LEU 43 N -8.47 4.25 -0.27 1.33 1.43 -0.41 -5.07 118.68 111.48 3h0m s LEU 43 Ca -0.06 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 3h0m s LEU 43 Cb 0.27 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 3h0m s LEU 43 CO 0.86 0.03 0.20 -0.62 0.23 0.00 0.00 176.35 177.04 3h0m s ASP 44 N -2.11 6.08 0.00 2.29 2.15 -1.26 -4.92 116.67 118.90 3h0m s ASP 44 Ca 0.42 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.46 3h0m s ASP 44 Cb -0.13 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3h0m s ASP 44 CO 0.21 -0.03 0.19 0.35 -0.17 0.00 0.00 175.17 175.72 3h0m n THR 45 N 4.81 0.04 -1.71 1.71 -2.24 -1.26 -4.86 114.28 110.77 3h0m n THR 45 Ca -0.14 -0.13 -0.63 0.00 -2.27 0.00 0.00 64.05 60.88 3h0m n THR 45 Cb 0.52 1.63 -0.09 0.00 -2.10 0.00 0.00 70.33 70.29 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 -0.02 0.54 -0.88 -0.78 1.02 -1.26 -2.06 120.64 117.20 3h0m n GLU 46 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3h0m n GLU 46 Cb 0.23 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3h0m n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h0m n ASN 47 N 4.88 -2.65 -4.38 1.62 3.02 -1.26 -5.05 115.26 111.44 3h0m n ASN 47 Ca 0.30 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.52 3h0m n ASN 47 Cb 0.03 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.62 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 -2.00 3.17 0.06 2.41 1.01 -0.87 -5.12 120.40 119.05 3h0m s VAL 48 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3h0m s VAL 48 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3h0m s VAL 48 CO 0.00 0.52 0.91 -1.61 0.00 0.00 0.00 175.10 174.92 3h0m s GLU 49 N 0.39 4.60 0.42 2.72 0.41 -1.26 -5.02 118.70 120.96 3h0m s GLU 49 Ca -0.09 1.33 -0.23 0.00 -0.41 0.00 0.00 54.97 55.57 3h0m s GLU 49 Cb -0.16 -3.40 -0.12 0.00 -1.78 0.00 0.00 34.13 28.67 3h0m s GLU 49 CO 0.05 0.14 0.69 -0.35 -0.49 0.00 0.00 175.26 175.30 3h0m n PRO 50 N 3.17 0.78 -2.03 0.39 -0.04 -1.26 -4.87 135.00 131.14 3h0m n PRO 50 Ca 0.02 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 3h0m n PRO 50 Cb 0.50 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.40 2.89 0.03 0.54 5.04 -1.26 -5.03 117.35 118.16 3h0m s TYR 51 Ca 0.64 0.64 0.02 0.00 -2.44 0.00 0.00 57.07 55.92 3h0m s TYR 51 Cb -0.60 -3.84 -0.02 0.00 0.35 0.00 0.00 41.96 37.85 3h0m s TYR 51 CO 0.57 -3.16 -0.06 0.42 -1.34 0.00 0.00 175.55 171.98 3h0m s ILE 52 N 1.74 0.40 0.47 3.14 1.01 -1.26 -5.14 121.20 121.55 3h0m s ILE 52 Ca 0.69 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 3h0m s ILE 52 Cb -0.39 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.54 3h0m s ILE 52 CO 0.31 -0.35 1.24 0.00 0.00 0.00 0.00 174.94 176.14 3h0m s GLN 53 N -1.34 3.66 0.77 2.79 -2.07 -1.26 -5.00 119.66 117.21 3h0m s GLN 53 Ca -0.10 1.96 -0.14 0.00 -1.82 0.00 0.00 55.36 55.26 3h0m s GLN 53 Cb -0.09 -2.45 0.06 0.00 -1.09 0.00 0.00 33.01 29.44 3h0m s GLN 53 CO -0.00 -0.68 1.19 -1.21 -1.32 0.00 0.00 175.29 173.26 3h0m s GLU 54 N -2.64 1.95 -0.30 9.60 2.02 -1.26 -5.05 118.70 123.02 3h0m s GLU 54 Ca 0.64 1.67 -0.17 0.00 0.02 0.00 0.00 54.97 57.13 3h0m s GLU 54 Cb -0.33 -1.82 0.20 0.00 0.10 0.00 0.00 34.13 32.27 3h0m s GLU 54 CO 0.41 -1.96 1.22 -0.59 0.02 0.00 0.00 175.26 174.36 3h0m s PHE 55 N -2.18 -0.17 -0.05 1.61 -0.71 -1.26 -5.08 117.98 110.14 3h0m s PHE 55 Ca 0.72 0.34 -0.23 0.00 -1.04 0.00 0.00 56.93 56.72 3h0m s PHE 55 Cb -0.27 0.15 -0.28 0.00 -1.21 0.00 0.00 43.02 41.41 3h0m s PHE 55 CO 0.48 -0.08 0.93 1.49 -1.34 0.00 0.00 175.22 176.70 3h0m h GLU 56 N 5.06 0.26 -4.78 1.99 4.57 -2.07 -3.46 114.58 116.16 3h0m h GLU 56 Ca -0.27 -0.39 -0.42 0.00 -1.18 0.00 0.00 59.36 57.11 3h0m h GLU 56 Cb 1.17 0.14 -0.29 0.00 -0.16 0.00 0.00 28.75 29.60 3h0m h GLU 56 CO 0.22 1.15 -0.79 -1.21 -1.18 0.00 0.00 179.01 177.20 3h0m s GLU 57 N -2.62 0.86 -0.27 1.92 2.02 -1.26 -5.10 118.70 114.26 3h0m s GLU 57 Ca -0.15 -0.35 -0.35 0.00 0.02 0.00 0.00 54.97 54.15 3h0m s GLU 57 Cb 0.01 -0.82 -0.12 0.00 0.10 0.00 0.00 34.13 33.30 3h0m s GLU 57 CO 0.80 0.19 2.05 2.41 0.02 0.00 0.00 175.26 180.72 3h0m n THR 58 N 2.96 0.31 -1.72 3.63 -1.04 -1.26 -4.91 114.28 112.25 3h0m n THR 58 Ca -0.15 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 3h0m n THR 58 Cb 0.56 -1.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 3h0m n THR 58 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h0m s PRO 59 N 5.28 4.13 0.04 -2.82 0.04 -1.26 -5.00 135.00 135.41 3h0m s PRO 59 Ca 1.03 2.60 -0.01 0.00 0.04 0.00 0.00 61.00 64.66 3h0m s PRO 59 Cb -0.82 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 3h0m s PRO 59 CO 0.52 -0.80 -0.01 -1.64 0.04 0.00 0.00 177.00 175.11 3h0m s MET 60 N 1.98 0.56 0.03 4.56 -1.94 -1.26 -5.16 119.30 118.06 3h0m s MET 60 Ca 0.78 -1.06 0.08 0.00 -1.71 0.00 0.00 55.69 53.78 3h0m s MET 60 Cb -0.48 0.20 -0.02 0.00 2.01 0.00 0.00 34.83 36.53 3h0m s MET 60 CO 0.34 -0.11 -0.23 0.50 -0.01 0.00 0.00 175.02 175.51 3h0m s ARG 61 N -3.35 1.67 0.69 2.03 3.52 -1.26 -5.13 118.95 117.12 3h0m s ARG 61 Ca 0.02 -0.98 -0.17 0.00 -0.13 0.00 0.00 55.73 54.47 3h0m s ARG 61 Cb 0.04 -1.76 0.01 0.00 -1.56 0.00 0.00 34.95 31.68 3h0m s ARG 61 CO -0.08 0.46 1.25 -1.21 -0.81 0.00 0.00 175.30 174.91 3h0m s GLU 62 N -1.04 2.34 -1.42 5.12 0.41 -1.26 -4.92 118.70 117.92 3h0m s GLU 62 Ca 0.09 1.92 -0.08 0.00 -0.41 0.00 0.00 54.97 56.49 3h0m s GLU 62 Cb -0.09 -1.84 0.06 0.00 -1.78 0.00 0.00 34.13 30.48 3h0m s GLU 62 CO 0.01 -1.73 2.46 -3.47 -0.49 0.00 0.00 175.26 172.05 3h0m n ASP 63 N -2.30 7.39 -4.28 -0.19 2.03 -1.26 -4.89 116.55 113.05 3h0m n ASP 63 Ca 0.15 -2.94 -0.32 0.00 0.52 0.00 0.00 54.79 52.20 3h0m n ASP 63 Cb 0.49 -1.47 -0.16 0.00 -0.72 0.00 0.00 41.12 39.26 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 0.52 2.99 0.34 -0.67 2.02 -1.26 -5.12 118.70 117.52 3h0m s GLU 64 Ca 0.56 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 3h0m s GLU 64 Cb 0.16 -2.35 -0.11 0.00 0.10 0.00 0.00 34.13 31.94 3h0m s GLU 64 CO -0.07 0.26 1.41 -2.14 0.02 0.00 0.00 175.26 174.74 3h0m s PRO 65 N 0.18 4.23 -0.03 0.39 0.02 -1.26 -5.05 135.00 133.48 3h0m s PRO 65 Ca -0.12 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.33 3h0m s PRO 65 Cb -0.16 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 3h0m s PRO 65 CO 0.07 -0.38 -0.09 -1.01 -0.33 0.00 0.00 177.00 175.25 3h0m s HIS 66 N -0.98 2.85 -0.33 6.54 3.76 -1.26 -5.06 115.29 120.81 3h0m s HIS 66 Ca 0.52 -0.05 -0.40 0.00 -0.15 0.00 0.00 55.06 54.98 3h0m s HIS 66 Cb -0.43 -1.64 -0.16 0.00 1.11 0.00 0.00 32.58 31.46 3h0m s HIS 66 CO 0.56 0.32 1.85 -2.30 -0.85 0.00 0.00 174.74 174.32 3h0m n PRO 67 N 1.91 0.94 -0.69 8.40 -0.02 -1.26 -4.92 135.00 139.35 3h0m n PRO 67 Ca -0.17 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.35 3h0m n PRO 67 Cb 0.53 -2.06 0.25 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.41 0.81 0.11 2.55 0.01 -1.26 -4.99 113.70 115.34 3h0m s SER 68 Ca 1.03 1.21 -0.30 0.00 1.31 0.00 0.00 55.95 59.20 3h0m s SER 68 Cb -1.11 -1.85 -0.06 0.00 0.21 0.00 0.00 66.02 63.21 3h0m s SER 68 CO 0.64 -4.26 0.97 -0.22 0.41 0.00 0.00 173.24 170.78 3h0m s LEU 69 N -7.19 4.49 0.09 2.44 2.96 -1.26 -4.98 118.68 115.23 3h0m s LEU 69 Ca 0.68 1.80 -0.36 0.00 -0.22 0.00 0.00 54.13 56.03 3h0m s LEU 69 Cb -0.20 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.74 3h0m s LEU 69 CO 0.61 -0.09 1.43 -0.67 -1.32 0.00 0.00 176.35 176.31 3h0m n ASP 70 N 2.86 2.11 0.31 3.68 2.03 -1.26 -4.82 116.55 121.45 3h0m n ASP 70 Ca 0.03 1.11 0.18 0.00 0.52 0.00 0.00 54.79 56.62 3h0m n ASP 70 Cb 0.49 -1.26 1.01 0.00 -0.72 0.00 0.00 41.12 40.64 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 5.09 0.00 0.15 -0.67 2.43 -1.98 -1.98 114.38 117.43 3h0m h ARG 71 Ca -0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3h0m h ARG 71 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3h0m h ARG 71 CO 0.82 0.02 -0.07 1.49 -1.51 0.00 0.00 179.97 180.71 3h0m h GLU 72 N 0.00 -0.19 -0.40 0.20 4.81 -1.98 -2.15 114.58 114.87 3h0m h GLU 72 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3h0m h GLU 72 Cb 0.07 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3h0m h GLU 72 CO 0.00 0.09 0.19 0.87 -0.73 0.00 0.00 179.01 179.44 3h0m h LYS 73 N -0.48 0.55 0.00 1.92 1.57 -1.77 0.38 116.57 118.73 3h0m h LYS 73 Ca -0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3h0m h LYS 73 Cb 0.38 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3h0m h LYS 73 CO 0.03 0.43 -0.14 0.00 -0.57 0.00 0.00 179.45 179.21 3h0m h ALA 74 N 1.66 1.01 0.00 3.86 0.00 -1.34 -3.27 119.26 121.18 3h0m h ALA 74 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h0m h ALA 74 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h0m h ALA 74 CO -0.02 0.17 -1.37 1.28 0.00 0.00 0.00 179.25 179.32 3h0m n LEU 75 N -3.27 0.10 -0.34 0.00 7.99 -0.81 -4.70 117.00 115.97 3h0m n LEU 75 Ca 0.01 -0.09 0.20 0.00 -0.01 0.00 0.00 56.01 56.12 3h0m n LEU 75 Cb 0.40 0.00 0.44 0.00 -0.11 0.00 0.00 43.42 44.15 3h0m n LEU 75 CO 0.31 0.02 1.18 0.00 -1.51 0.00 0.00 177.39 177.40 3h0m h MET 76 N 0.00 0.47 -0.01 3.23 -0.00 -0.32 0.12 114.93 118.42 3h0m h MET 76 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3h0m h MET 76 Cb 0.50 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 3h0m h MET 76 CO 0.00 0.31 -0.11 0.09 -0.00 0.00 0.00 176.91 177.20 3h0m n ASN 77 N -4.79 0.69 -4.68 -0.10 3.02 -1.26 -4.93 115.26 103.20 3h0m n ASN 77 Ca 0.27 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.58 3h0m n ASN 77 Cb 0.83 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.96 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 -2.36 3.63 0.34 5.41 0.00 0.03 -4.90 121.76 123.90 3h0m s ALA 78 Ca 0.31 1.02 0.14 0.00 0.00 0.00 0.00 51.96 53.43 3h0m s ALA 78 Cb 0.20 -3.70 1.10 0.00 0.00 0.00 0.00 23.12 20.72 3h0m s ALA 78 CO 0.45 -1.21 1.62 -1.35 0.00 0.00 0.00 175.76 175.28 3h0m h PRO 79 N 8.81 0.16 -2.75 0.00 0.11 -1.92 -3.40 132.00 133.01 3h0m h PRO 79 Ca -0.40 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 3h0m h PRO 79 Cb 1.19 -0.04 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 3h0m h PRO 79 CO 0.94 0.11 -0.38 -2.00 -0.21 0.00 0.00 178.00 176.45 3h0m s GLU 80 N -5.68 0.31 0.09 1.05 2.12 -1.26 -5.10 118.70 110.23 3h0m s GLU 80 Ca -0.10 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.03 3h0m s GLU 80 Cb 0.31 -0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 3h0m s GLU 80 CO 0.78 -0.19 -0.13 -0.98 -0.54 0.00 0.00 175.26 174.20 3h0m s ARG 81 N 1.65 0.86 -0.20 4.30 1.70 -1.26 -1.11 118.95 124.88 3h0m s ARG 81 Ca -0.07 -1.05 -0.07 0.00 -0.47 0.00 0.00 55.73 54.07 3h0m s ARG 81 Cb -0.10 -0.78 0.09 0.00 -0.57 0.00 0.00 34.95 33.60 3h0m s ARG 81 CO -0.11 0.16 0.43 0.21 -1.08 0.00 0.00 175.30 174.91 3h0m s LYS 82 N -2.13 0.34 -1.39 3.89 2.20 -0.02 -4.92 119.74 117.72 3h0m s LYS 82 Ca 0.02 1.05 -0.05 0.00 -0.36 0.00 0.00 55.97 56.63 3h0m s LYS 82 Cb -0.08 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3h0m s LYS 82 CO 0.02 -0.24 0.39 -0.25 -0.36 0.00 0.00 175.35 174.91 3h0m n ASP 83 N 5.34 -4.85 0.00 1.43 8.00 -1.26 -0.36 116.55 124.85 3h0m n ASP 83 Ca -0.09 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.20 3h0m n ASP 83 Cb 0.50 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -1.21 0.77 3.69 0.44 0.00 -1.26 -5.07 105.19 102.55 3h0m n GLY 84 Ca -0.10 0.00 -0.33 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 -2.91 3.10 0.32 1.61 0.08 0.51 -5.10 117.98 115.58 3h0m s PHE 85 Ca 0.00 0.09 -0.28 0.00 0.12 0.00 0.00 56.93 56.86 3h0m s PHE 85 Cb 0.00 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.68 3h0m s PHE 85 CO 0.00 0.47 1.11 -0.06 -0.10 0.00 0.00 175.22 176.64 3h0m s PHE 86 N -1.10 3.44 -0.19 0.36 0.08 -1.26 -0.84 117.98 118.47 3h0m s PHE 86 Ca 0.20 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.90 3h0m s PHE 86 Cb -0.12 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3h0m s PHE 86 CO 0.11 -0.70 -0.12 0.08 -0.10 0.00 0.00 175.22 174.48 3h0m s VAL 87 N -1.29 2.80 0.25 -0.44 1.01 -0.27 -4.85 120.40 117.61 3h0m s VAL 87 Ca 0.49 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3h0m s VAL 87 Cb -0.30 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3h0m s VAL 87 CO 0.39 0.49 -0.03 0.68 0.00 0.00 0.00 175.10 176.63 3h0m s VAL 88 N 1.17 1.28 0.32 2.92 -7.23 -1.26 -4.50 120.40 113.09 3h0m s VAL 88 Ca 0.01 -2.07 -0.28 0.00 -1.81 0.00 0.00 61.98 57.83 3h0m s VAL 88 Cb -0.14 -2.38 -0.13 0.00 0.56 0.00 0.00 36.38 34.29 3h0m s VAL 88 CO -0.04 -0.32 1.24 -0.81 -0.31 0.00 0.00 175.10 174.86 3h0m n PRO 89 N -0.48 1.94 -1.45 4.82 -0.04 -1.26 -4.86 135.00 133.67 3h0m n PRO 89 Ca -0.05 0.68 -0.45 0.00 -0.04 0.00 0.00 63.50 63.64 3h0m n PRO 89 Cb 0.64 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 3h0m n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0m n ARG 90 N 0.78 0.49 -4.51 0.54 0.63 -1.26 -5.00 116.66 108.34 3h0m n ARG 90 Ca 0.07 0.17 -0.34 0.00 -0.92 0.00 0.00 57.85 56.83 3h0m n ARG 90 Cb 0.34 -1.34 -0.11 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.21 3.90 -2.62 5.15 -7.23 -1.26 -5.33 120.40 111.81 3h0m s VAL 91 Ca 0.62 -0.39 0.27 0.00 -1.81 0.00 0.00 61.98 60.67 3h0m s VAL 91 Cb -0.76 -2.64 0.47 0.00 0.56 0.00 0.00 36.38 34.01 3h0m s VAL 91 CO 0.58 0.57 1.63 0.55 -0.31 0.00 0.00 175.10 178.13