#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 -2.28 0.12 6.55 9.92 -1.26 -4.87 116.55 124.73 3h0m n ASP 3 Ca 0.00 0.30 -0.14 0.00 -0.53 0.00 0.00 54.79 54.43 3h0m n ASP 3 Cb 0.00 -1.18 -0.08 0.00 -0.64 0.00 0.00 41.12 39.22 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 -1.56 -0.25 -0.98 -1.24 2.43 -1.99 -2.95 114.38 107.84 3h0m h ARG 4 Ca -0.44 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 58.99 3h0m h ARG 4 Cb 1.29 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 30.71 3h0m h ARG 4 CO 0.34 -0.06 -0.08 1.49 -1.51 0.00 0.00 179.97 180.15 3h0m h GLU 5 N -0.40 0.01 0.37 0.20 4.81 -2.00 -1.72 114.58 115.85 3h0m h GLU 5 Ca -0.03 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3h0m h GLU 5 Cb 0.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3h0m h GLU 5 CO 0.04 0.01 -0.18 2.35 -0.73 0.00 0.00 179.01 180.50 3h0m h TRP 6 N 0.01 -0.46 -0.67 0.92 7.01 -1.89 -2.08 115.95 118.79 3h0m h TRP 6 Ca 0.54 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.63 3h0m h TRP 6 Cb 1.00 0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 28.14 3h0m h TRP 6 CO -0.60 -0.28 0.29 0.28 -2.79 0.00 0.00 178.44 175.34 3h0m h VAL 7 N -0.51 0.78 0.04 2.65 2.07 -1.17 -1.12 116.25 118.99 3h0m h VAL 7 Ca -0.05 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3h0m h VAL 7 Cb 0.39 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3h0m h VAL 7 CO 0.08 0.09 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 3h0m h LEU 8 N 0.49 -0.05 -0.59 2.57 3.38 -1.28 -1.61 115.31 118.21 3h0m h LEU 8 Ca 0.34 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3h0m h LEU 8 Cb 0.42 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3h0m h LEU 8 CO -0.31 0.10 0.23 0.50 0.09 0.00 0.00 178.44 179.06 3h0m h LYS 9 N -0.20 0.41 -0.26 1.13 3.64 -1.00 -0.06 116.57 120.22 3h0m h LYS 9 Ca -0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3h0m h LYS 9 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3h0m h LYS 9 CO 0.01 0.27 -0.21 0.82 -2.27 0.00 0.00 179.45 178.07 3h0m h ILE 10 N 0.42 1.31 -0.52 2.00 1.08 -1.13 -2.44 117.51 118.22 3h0m h ILE 10 Ca 0.29 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 3h0m h ILE 10 Cb 0.34 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 3h0m h ILE 10 CO -0.28 0.43 0.30 0.00 -0.69 0.00 0.00 178.15 177.90 3h0m h ALA 11 N 0.70 0.66 -0.43 1.87 0.00 -1.01 -1.75 119.26 119.31 3h0m h ALA 11 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3h0m h ALA 11 Cb 0.76 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3h0m h ALA 11 CO 0.06 0.16 0.07 -0.22 0.00 0.00 0.00 179.25 179.32 3h0m h LYS 12 N 0.69 0.19 -0.34 0.00 3.64 -0.94 0.52 116.57 120.34 3h0m h LYS 12 Ca 0.18 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3h0m h LYS 12 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3h0m h LYS 12 CO -0.03 0.13 0.11 -0.07 -2.27 0.00 0.00 179.45 177.32 3h0m h LEU 13 N 0.20 0.43 -1.13 5.20 3.38 -0.85 -1.52 115.31 121.01 3h0m h LEU 13 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3h0m h LEU 13 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h0m h LEU 13 CO -0.29 0.41 -0.08 0.00 0.09 0.00 0.00 178.44 178.57 3h0m n ALA 14 N -2.48 2.71 -3.35 1.53 0.00 -0.58 -4.97 120.51 113.38 3h0m n ALA 14 Ca 0.02 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.78 3h0m n ALA 14 Cb 0.15 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 0.32 -4.27 -4.13 0.00 5.12 0.16 -5.02 116.66 108.84 3h0m n ARG 15 Ca 0.16 0.85 -0.33 0.00 -1.93 0.00 0.00 57.85 56.59 3h0m n ARG 15 Cb 0.42 -5.81 -0.15 0.00 -1.16 0.00 0.00 32.46 25.76 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 -5.87 2.34 -0.80 0.55 1.43 -0.02 -5.02 118.68 111.29 3h0m s LEU 16 Ca 0.24 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 3h0m s LEU 16 Cb -0.03 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.75 3h0m s LEU 16 CO 0.74 0.01 1.02 -0.70 0.23 0.00 0.00 176.35 177.65 3h0m s GLU 17 N 1.27 3.37 0.24 1.70 2.12 -1.26 -4.27 118.70 121.88 3h0m s GLU 17 Ca 0.04 -1.41 -0.30 0.00 0.36 0.00 0.00 54.97 53.66 3h0m s GLU 17 Cb -0.14 -4.61 -0.09 0.00 0.26 0.00 0.00 34.13 29.55 3h0m s GLU 17 CO -0.09 -1.76 1.11 -0.51 -0.54 0.00 0.00 175.26 173.48 3h0m s LEU 18 N 3.12 4.52 0.47 2.70 1.43 -1.26 -5.02 118.68 124.63 3h0m s LEU 18 Ca 0.27 2.23 -0.19 0.00 -1.03 0.00 0.00 54.13 55.40 3h0m s LEU 18 Cb -0.11 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 3h0m s LEU 18 CO -0.01 -0.20 0.96 -0.54 0.23 0.00 0.00 176.35 176.79 3h0m s LYS 19 N -1.02 4.10 0.54 1.70 1.02 -1.26 -4.90 119.74 119.91 3h0m s LYS 19 Ca 0.47 1.03 0.27 0.00 0.02 0.00 0.00 55.97 57.76 3h0m s LYS 19 Cb -0.31 -2.17 1.43 0.00 -0.52 0.00 0.00 37.83 36.26 3h0m s LYS 19 CO 0.39 -0.13 1.96 1.49 -0.92 0.00 0.00 175.35 178.14 3h0m h GLU 20 N 1.47 0.00 0.20 1.68 4.57 -2.00 -0.36 114.58 120.13 3h0m h GLU 20 Ca -0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 3h0m h GLU 20 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3h0m h GLU 20 CO 0.61 0.00 -0.09 0.93 -1.18 0.00 0.00 179.01 179.28 3h0m h GLU 21 N 0.00 -0.25 -0.89 1.92 3.07 -2.01 -3.20 114.58 113.22 3h0m h GLU 21 Ca 0.29 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.20 3h0m h GLU 21 Cb 1.19 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 3h0m h GLU 21 CO -0.00 -0.07 0.58 0.93 -1.40 0.00 0.00 179.01 179.04 3h0m h GLU 22 N -0.39 1.10 -0.01 2.33 5.08 -1.47 -2.47 114.58 118.75 3h0m h GLU 22 Ca -0.03 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3h0m h GLU 22 Cb 0.30 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 22 CO 0.04 0.72 -0.34 0.82 -1.00 0.00 0.00 179.01 179.26 3h0m h ILE 23 N 1.13 0.27 -0.62 3.13 2.04 -1.43 0.31 117.51 122.33 3h0m h ILE 23 Ca 0.35 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.12 3h0m h ILE 23 Cb -0.02 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3h0m h ILE 23 CO -0.11 0.00 0.02 -0.33 0.00 0.00 0.00 178.15 177.73 3h0m h GLU 24 N -0.48 1.08 -0.17 2.37 5.08 -1.52 -2.04 114.58 118.90 3h0m h GLU 24 Ca 0.06 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3h0m h GLU 24 Cb 0.58 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3h0m h GLU 24 CO -0.29 1.03 0.02 0.28 -1.00 0.00 0.00 179.01 179.06 3h0m h VAL 25 N 0.99 1.23 0.00 3.13 2.07 -1.19 -2.89 116.25 119.58 3h0m h VAL 25 Ca 0.18 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3h0m h VAL 25 Cb 0.53 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3h0m h VAL 25 CO 0.03 0.22 0.00 -0.26 0.02 0.00 0.00 177.57 177.58 3h0m h PHE 26 N 0.06 0.00 -0.33 1.57 0.04 -0.33 -1.94 116.94 116.01 3h0m h PHE 26 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3h0m h PHE 26 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3h0m h PHE 26 CO 0.02 0.00 0.02 1.96 -0.60 0.00 0.00 178.31 179.71 3h0m h GLN 27 N 0.00 0.57 0.00 1.51 4.20 -1.15 -2.12 115.11 118.11 3h0m h GLN 27 Ca 0.00 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3h0m h GLN 27 Cb 0.56 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.29 3h0m h GLN 27 CO 0.00 0.68 -0.25 -0.22 -0.67 0.00 0.00 178.83 178.37 3h0m h LYS 28 N 0.38 0.17 -0.78 1.46 3.64 -1.50 -2.88 116.57 117.07 3h0m h LYS 28 Ca 0.10 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3h0m h LYS 28 Cb 0.41 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3h0m h LYS 28 CO 0.01 0.92 0.39 1.96 -2.27 0.00 0.00 179.45 180.47 3h0m h GLN 29 N -0.52 1.11 -0.00 1.90 4.20 -1.42 -1.13 115.11 119.25 3h0m h GLN 29 Ca -0.03 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.29 3h0m h GLN 29 Cb 1.01 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.60 3h0m h GLN 29 CO 0.05 0.85 -0.97 -0.07 -0.67 0.00 0.00 178.83 178.01 3h0m h LEU 30 N 1.09 0.67 -0.47 1.46 3.38 -1.52 -0.71 115.31 119.21 3h0m h LEU 30 Ca 0.27 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.80 3h0m h LEU 30 Cb 0.09 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 3h0m h LEU 30 CO -0.04 1.33 -0.01 0.28 0.09 0.00 0.00 178.44 180.09 3h0m h SER 31 N 0.29 -0.23 0.19 -0.43 0.02 -1.36 0.22 113.55 112.25 3h0m h SER 31 Ca -0.10 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3h0m h SER 31 Cb 1.62 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3h0m h SER 31 CO 0.18 -0.08 -0.09 0.44 -1.14 0.00 0.00 176.83 176.14 3h0m h ASP 32 N 0.10 -0.21 -0.89 3.07 3.32 -1.05 -1.69 116.42 119.07 3h0m h ASP 32 Ca 0.23 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h0m h ASP 32 Cb 0.35 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3h0m h ASP 32 CO -0.40 -0.15 0.55 0.40 -1.72 0.00 0.00 179.24 177.92 3h0m h ILE 33 N -0.25 1.24 -0.76 0.35 2.04 -0.91 0.36 117.51 119.58 3h0m h ILE 33 Ca -0.03 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3h0m h ILE 33 Cb 0.19 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3h0m h ILE 33 CO 0.04 0.25 0.49 -0.07 0.00 0.00 0.00 178.15 178.86 3h0m h LEU 34 N 1.22 0.88 -0.37 1.44 4.07 -0.44 -0.85 115.31 121.26 3h0m h LEU 34 Ca 0.32 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 58.08 3h0m h LEU 34 Cb -0.07 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.45 3h0m h LEU 34 CO -0.06 0.65 -0.48 0.44 -1.08 0.00 0.00 178.44 177.92 3h0m h ASP 35 N 1.04 0.94 -1.00 -0.43 3.32 -0.40 -2.97 116.42 116.92 3h0m h ASP 35 Ca 0.28 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3h0m h ASP 35 Cb -0.09 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.14 3h0m h ASP 35 CO -0.06 1.26 0.66 0.15 -1.72 0.00 0.00 179.24 179.54 3h0m h PHE 36 N 0.68 1.26 -0.01 4.55 3.57 0.32 -3.16 116.94 124.15 3h0m h PHE 36 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3h0m h PHE 36 Cb 1.07 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3h0m h PHE 36 CO 0.06 0.79 -0.41 0.44 -2.23 0.00 0.00 178.31 176.96 3h0m n ILE 37 N -4.39 0.00 -1.05 1.41 -5.35 -0.38 -4.61 119.36 104.99 3h0m n ILE 37 Ca 0.12 -0.18 -0.23 0.00 -0.27 0.00 0.00 62.75 62.19 3h0m n ILE 37 Cb 0.02 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 38.65 3h0m n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0m n ASP 38 N -0.43 6.39 -0.11 7.28 2.03 -1.12 -4.28 116.55 126.31 3h0m n ASP 38 Ca 0.10 -2.45 0.06 0.00 0.52 0.00 0.00 54.79 53.02 3h0m n ASP 38 Cb 0.40 -1.37 -0.04 0.00 -0.72 0.00 0.00 41.12 39.39 3h0m n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0m n GLN 39 N 3.15 2.61 0.11 -0.67 1.13 -1.26 -4.74 117.38 117.71 3h0m n GLN 39 Ca 0.56 -0.26 0.06 0.00 -1.94 0.00 0.00 57.00 55.41 3h0m n GLN 39 Cb 0.51 -1.10 0.01 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 0.54 0.00 -1.06 1.08 3.38 -1.99 -3.32 115.31 113.94 3h0m h LEU 40 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 3h0m h LEU 40 Cb 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 3h0m h LEU 40 CO 0.00 0.28 0.60 0.11 0.09 0.00 0.00 178.44 179.53 3h0m h LYS 41 N 0.00 0.43 -0.34 1.13 1.57 -1.95 -1.67 116.57 115.74 3h0m h LYS 41 Ca -0.05 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3h0m h LYS 41 Cb 1.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3h0m h LYS 41 CO 0.03 0.28 0.32 0.93 -0.57 0.00 0.00 179.45 180.44 3h0m h GLU 42 N 0.44 0.00 -6.45 3.15 5.08 -1.95 -3.42 114.58 111.43 3h0m h GLU 42 Ca 0.68 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.51 3h0m h GLU 42 Cb 1.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 3h0m h GLU 42 CO -0.51 0.00 -0.13 -0.51 -1.00 0.00 0.00 179.01 176.86 3h0m s LEU 43 N -7.87 4.13 -0.31 1.33 1.43 -0.63 -5.06 118.68 111.69 3h0m s LEU 43 Ca -0.05 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 53.76 3h0m s LEU 43 Cb 0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3h0m s LEU 43 CO 0.60 -0.11 0.26 -0.62 0.23 0.00 0.00 176.35 176.71 3h0m s ASP 44 N -2.65 6.10 0.00 2.29 2.15 -1.26 -4.92 116.67 118.36 3h0m s ASP 44 Ca 0.46 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.29 3h0m s ASP 44 Cb -0.11 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 3h0m s ASP 44 CO 0.25 -0.18 0.33 0.35 -0.17 0.00 0.00 175.17 175.75 3h0m n THR 45 N 5.12 0.00 -1.64 1.71 -2.24 -1.26 -4.84 114.28 111.13 3h0m n THR 45 Ca -0.12 -0.42 -0.56 0.00 -2.27 0.00 0.00 64.05 60.69 3h0m n THR 45 Cb 0.51 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.16 0.99 -1.00 -0.78 -0.58 -1.26 -1.44 120.64 116.40 3h0m n GLU 46 Ca 0.00 0.36 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3h0m n GLU 46 Cb 0.03 -2.00 -0.00 0.00 -0.57 0.00 0.00 31.44 28.91 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 3.56 -3.23 -4.50 1.62 3.02 -1.26 -5.03 115.26 109.45 3h0m n ASN 47 Ca 0.22 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 3h0m n ASN 47 Cb 0.14 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 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 -1.92 3.91 0.06 2.41 1.01 -0.52 -5.12 120.40 120.22 3h0m s VAL 48 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3h0m s VAL 48 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3h0m s VAL 48 CO 0.00 0.49 0.94 -1.61 0.00 0.00 0.00 175.10 174.92 3h0m s GLU 49 N 0.42 4.63 0.33 2.72 0.41 -1.26 -5.02 118.70 120.92 3h0m s GLU 49 Ca -0.04 1.39 -0.26 0.00 -0.41 0.00 0.00 54.97 55.66 3h0m s GLU 49 Cb -0.14 -3.41 -0.13 0.00 -1.78 0.00 0.00 34.13 28.67 3h0m s GLU 49 CO 0.03 0.12 0.86 -0.35 -0.49 0.00 0.00 175.26 175.43 3h0m n PRO 50 N 3.20 1.04 -1.69 0.39 -0.04 -1.26 -4.86 135.00 131.78 3h0m n PRO 50 Ca 0.03 0.37 -0.44 0.00 -0.04 0.00 0.00 63.50 63.42 3h0m n PRO 50 Cb 0.50 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 3h0m n PRO 50 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3h0m n TYR 51 N -0.16 2.54 -4.22 0.54 9.36 -1.26 -5.03 117.16 118.94 3h0m n TYR 51 Ca 0.11 -0.06 -0.17 0.00 3.32 0.00 0.00 57.90 61.10 3h0m n TYR 51 Cb 0.34 -2.69 -0.13 0.00 -0.63 0.00 0.00 39.34 36.23 3h0m n TYR 51 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3h0m s ILE 52 N 2.54 0.89 0.51 2.97 1.01 -1.26 -5.13 121.20 122.73 3h0m s ILE 52 Ca 0.83 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 3h0m s ILE 52 Cb -0.54 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.01 3h0m s ILE 52 CO 0.39 -0.14 1.34 0.00 0.00 0.00 0.00 174.94 176.53 3h0m s GLN 53 N -1.29 3.38 0.22 2.79 -2.07 -1.26 -4.97 119.66 116.46 3h0m s GLN 53 Ca -0.02 2.19 -0.30 0.00 -1.82 0.00 0.00 55.36 55.41 3h0m s GLN 53 Cb -0.08 -2.38 -0.09 0.00 -1.09 0.00 0.00 33.01 29.37 3h0m s GLN 53 CO 0.01 -0.99 1.08 -1.21 -1.32 0.00 0.00 175.29 172.86 3h0m s GLU 54 N -2.75 4.65 -0.24 9.60 2.02 -1.26 -5.05 118.70 125.67 3h0m s GLU 54 Ca 0.68 1.72 -0.19 0.00 0.02 0.00 0.00 54.97 57.19 3h0m s GLU 54 Cb -0.39 -3.24 0.06 0.00 0.10 0.00 0.00 34.13 30.66 3h0m s GLU 54 CO 0.47 0.19 0.62 -0.59 0.02 0.00 0.00 175.26 175.97 3h0m s PHE 55 N -0.72 -0.75 -0.04 1.61 -0.71 -1.26 -5.08 117.98 111.02 3h0m s PHE 55 Ca 0.46 1.73 -0.16 0.00 -1.04 0.00 0.00 56.93 57.92 3h0m s PHE 55 Cb -0.30 0.32 -0.10 0.00 -1.21 0.00 0.00 43.02 41.73 3h0m s PHE 55 CO 0.37 -0.37 0.68 1.49 -1.34 0.00 0.00 175.22 176.04 3h0m h GLU 56 N 5.70 -0.45 -5.39 1.99 4.57 -2.07 -3.46 114.58 115.46 3h0m h GLU 56 Ca -0.29 0.03 -0.47 0.00 -1.18 0.00 0.00 59.36 57.45 3h0m h GLU 56 Cb 1.18 0.10 -0.26 0.00 -0.16 0.00 0.00 28.75 29.62 3h0m h GLU 56 CO 0.14 -0.23 -0.80 -1.21 -1.18 0.00 0.00 179.01 175.72 3h0m s GLU 57 N -3.34 1.03 0.09 1.92 2.02 -1.26 -5.11 118.70 114.05 3h0m s GLU 57 Ca -0.09 -0.72 -0.33 0.00 0.02 0.00 0.00 54.97 53.86 3h0m s GLU 57 Cb 0.01 -1.04 -0.12 0.00 0.10 0.00 0.00 34.13 33.07 3h0m s GLU 57 CO 0.29 0.27 1.74 2.41 0.02 0.00 0.00 175.26 179.98 3h0m n THR 58 N 2.09 0.25 -2.24 3.63 -1.04 -1.26 -4.95 114.28 110.77 3h0m n THR 58 Ca -0.17 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 3h0m n THR 58 Cb 0.55 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 3h0m n THR 58 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h0m s PRO 59 N 2.24 4.26 0.12 -2.82 0.02 -1.26 -5.03 135.00 132.53 3h0m s PRO 59 Ca 0.83 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.78 3h0m s PRO 59 Cb -0.61 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 3h0m s PRO 59 CO 0.41 -0.64 -0.01 -1.64 -0.33 0.00 0.00 177.00 174.79 3h0m s MET 60 N 2.90 0.90 -0.04 5.54 -1.94 -1.26 -5.16 119.30 120.24 3h0m s MET 60 Ca 0.63 -1.40 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 3h0m s MET 60 Cb -0.29 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.51 3h0m s MET 60 CO 0.24 -0.13 -0.19 0.50 -0.01 0.00 0.00 175.02 175.43 3h0m s ARG 61 N -3.93 1.85 0.74 2.03 3.52 -1.26 -5.13 118.95 116.77 3h0m s ARG 61 Ca 0.18 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 54.96 3h0m s ARG 61 Cb 0.07 -1.63 0.01 0.00 -1.56 0.00 0.00 34.95 31.83 3h0m s ARG 61 CO -0.01 0.30 0.88 0.39 -0.81 0.00 0.00 175.30 176.05 3h0m n GLU 62 N 3.01 0.39 -1.93 5.12 -0.58 -1.26 -4.90 120.64 120.49 3h0m n GLU 62 Ca -0.17 0.19 -0.41 0.00 -0.42 0.00 0.00 57.16 56.34 3h0m n GLU 62 Cb 0.53 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.24 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 -1.58 6.57 -4.25 1.62 2.03 -1.26 -4.91 116.55 114.78 3h0m n ASP 63 Ca 0.12 -2.98 -0.32 0.00 0.52 0.00 0.00 54.79 52.14 3h0m n ASP 63 Cb 0.50 -1.48 -0.17 0.00 -0.72 0.00 0.00 41.12 39.25 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 0.64 2.89 0.43 -0.67 2.02 -1.26 -5.12 118.70 117.63 3h0m s GLU 64 Ca 0.51 -0.88 -0.26 0.00 0.02 0.00 0.00 54.97 54.37 3h0m s GLU 64 Cb 0.15 -2.27 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 3h0m s GLU 64 CO -0.05 0.26 1.39 -2.14 0.02 0.00 0.00 175.26 174.74 3h0m s PRO 65 N 0.15 3.80 -0.03 0.39 0.02 -1.26 -5.05 135.00 133.02 3h0m s PRO 65 Ca -0.13 2.35 0.06 0.00 0.02 0.00 0.00 61.00 63.31 3h0m s PRO 65 Cb -0.16 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 3h0m s PRO 65 CO 0.07 -0.70 -0.23 -1.01 -0.33 0.00 0.00 177.00 174.80 3h0m s HIS 66 N -1.21 2.13 -0.38 6.54 3.76 -1.26 -5.08 115.29 119.79 3h0m s HIS 66 Ca 0.59 -0.51 -0.44 0.00 -0.15 0.00 0.00 55.06 54.55 3h0m s HIS 66 Cb -0.42 -1.39 -0.18 0.00 1.11 0.00 0.00 32.58 31.70 3h0m s HIS 66 CO 0.55 -0.11 1.65 -2.30 -0.85 0.00 0.00 174.74 173.67 3h0m n PRO 67 N 2.75 0.54 -0.97 8.40 -0.02 -1.26 -4.92 135.00 139.51 3h0m n PRO 67 Ca -0.17 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3h0m n PRO 67 Cb 0.52 -1.78 0.18 0.00 -0.02 0.00 0.00 33.50 32.40 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 3.13 2.60 0.12 2.55 0.01 -1.26 -4.98 113.70 115.87 3h0m s SER 68 Ca 1.01 1.51 -0.30 0.00 1.31 0.00 0.00 55.95 59.48 3h0m s SER 68 Cb -1.29 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 62.68 3h0m s SER 68 CO 0.73 -3.19 1.21 -0.22 0.41 0.00 0.00 173.24 172.18 3h0m s LEU 69 N -6.57 4.41 0.23 2.44 2.96 -1.26 -4.98 118.68 115.92 3h0m s LEU 69 Ca 0.65 2.14 -0.31 0.00 -0.22 0.00 0.00 54.13 56.39 3h0m s LEU 69 Cb -0.20 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.75 3h0m s LEU 69 CO 0.59 -0.43 1.30 -0.67 -1.32 0.00 0.00 176.35 175.82 3h0m n ASP 70 N 3.24 2.23 0.25 3.68 2.03 -1.26 -4.77 116.55 121.95 3h0m n ASP 70 Ca 0.07 1.15 0.11 0.00 0.52 0.00 0.00 54.79 56.63 3h0m n ASP 70 Cb 0.45 -1.36 0.66 0.00 -0.72 0.00 0.00 41.12 40.15 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 3.71 0.00 -0.19 -0.67 2.43 -1.98 -1.71 114.38 115.97 3h0m h ARG 71 Ca -0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3h0m h ARG 71 Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3h0m h ARG 71 CO 0.72 0.15 0.04 1.49 -1.51 0.00 0.00 179.97 180.86 3h0m h GLU 72 N 0.00 0.31 -0.04 0.20 4.81 -1.98 -0.64 114.58 117.25 3h0m h GLU 72 Ca -0.00 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3h0m h GLU 72 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3h0m h GLU 72 CO 0.02 0.46 -0.47 0.87 -0.73 0.00 0.00 179.01 179.16 3h0m h LYS 73 N 0.12 0.09 0.00 1.92 1.57 -1.81 0.77 116.57 119.22 3h0m h LYS 73 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3h0m h LYS 73 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3h0m h LYS 73 CO 0.00 0.54 -0.36 0.00 -0.57 0.00 0.00 179.45 179.07 3h0m h ALA 74 N 1.45 1.07 0.00 3.86 0.00 -1.22 -3.32 119.26 121.10 3h0m h ALA 74 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3h0m h ALA 74 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3h0m h ALA 74 CO 0.07 0.45 -1.82 1.28 0.00 0.00 0.00 179.25 179.22 3h0m n LEU 75 N -3.62 0.00 -0.34 0.00 7.99 -0.26 -4.70 117.00 116.08 3h0m n LEU 75 Ca -0.01 0.00 0.26 0.00 -0.01 0.00 0.00 56.01 56.26 3h0m n LEU 75 Cb 0.47 0.11 0.56 0.00 -0.11 0.00 0.00 43.42 44.46 3h0m n LEU 75 CO 0.36 0.11 1.24 0.00 -1.51 0.00 0.00 177.39 177.59 3h0m h MET 76 N 0.00 0.28 -0.00 3.23 -0.00 0.44 0.26 114.93 119.15 3h0m h MET 76 Ca -0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 3h0m h MET 76 Cb 1.09 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.63 3h0m h MET 76 CO 0.01 0.19 -0.20 0.09 -0.00 0.00 0.00 176.91 177.00 3h0m n ASN 77 N -4.57 0.40 -4.71 -0.10 3.02 -1.26 -4.92 115.26 103.12 3h0m n ASN 77 Ca 0.27 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 3h0m n ASN 77 Cb 1.00 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 40.07 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 -2.74 3.74 0.32 5.41 0.00 0.93 -4.92 121.76 124.51 3h0m s ALA 78 Ca 0.20 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.58 3h0m s ALA 78 Cb 0.19 -3.64 0.97 0.00 0.00 0.00 0.00 23.12 20.63 3h0m s ALA 78 CO 0.55 -0.87 1.64 -1.35 0.00 0.00 0.00 175.76 175.73 3h0m h PRO 79 N 7.25 0.21 -2.55 0.00 0.11 -1.91 -3.41 132.00 131.70 3h0m h PRO 79 Ca -0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3h0m h PRO 79 Cb 1.20 -0.05 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 3h0m h PRO 79 CO 0.92 0.14 -0.33 -2.00 -0.21 0.00 0.00 178.00 176.52 3h0m s GLU 80 N -5.77 0.36 0.18 1.05 2.12 -1.26 -5.10 118.70 110.29 3h0m s GLU 80 Ca -0.11 0.94 0.09 0.00 0.36 0.00 0.00 54.97 56.25 3h0m s GLU 80 Cb 0.29 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.82 3h0m s GLU 80 CO 0.78 -0.21 -0.18 -0.98 -0.54 0.00 0.00 175.26 174.14 3h0m s ARG 81 N 2.08 1.31 -0.24 4.30 1.70 -1.26 -0.31 118.95 126.52 3h0m s ARG 81 Ca -0.05 -1.47 -0.10 0.00 -0.47 0.00 0.00 55.73 53.64 3h0m s ARG 81 Cb -0.10 -1.31 0.10 0.00 -0.57 0.00 0.00 34.95 33.06 3h0m s ARG 81 CO -0.13 0.25 0.53 0.21 -1.08 0.00 0.00 175.30 175.09 3h0m s LYS 82 N -3.02 0.48 -1.37 3.89 2.20 -0.51 -4.89 119.74 116.52 3h0m s LYS 82 Ca 0.18 1.16 -0.10 0.00 -0.36 0.00 0.00 55.97 56.85 3h0m s LYS 82 Cb -0.05 0.42 0.07 0.00 -1.51 0.00 0.00 37.83 36.76 3h0m s LYS 82 CO 0.07 -0.20 0.58 -0.25 -0.36 0.00 0.00 175.35 175.19 3h0m n ASP 83 N 5.05 -4.09 0.00 1.43 8.00 -1.26 -0.92 116.55 124.77 3h0m n ASP 83 Ca -0.14 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.89 3h0m n ASP 83 Cb 0.52 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 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 -1.29 0.67 3.74 0.44 0.00 -1.26 -5.07 105.19 102.43 3h0m n GLY 84 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.47 3.12 0.26 1.61 0.08 -0.09 -5.10 117.98 115.38 3h0m s PHE 85 Ca 0.00 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3h0m s PHE 85 Cb 0.00 -1.60 -0.09 0.00 -0.57 0.00 0.00 43.02 40.76 3h0m s PHE 85 CO 0.00 0.51 1.07 -0.06 -0.10 0.00 0.00 175.22 176.64 3h0m s PHE 86 N -1.35 3.65 -0.22 0.36 0.08 -1.26 -1.42 117.98 117.82 3h0m s PHE 86 Ca 0.28 1.72 -0.04 0.00 0.12 0.00 0.00 56.93 59.00 3h0m s PHE 86 Cb -0.12 -3.23 -0.01 0.00 -0.57 0.00 0.00 43.02 39.09 3h0m s PHE 86 CO 0.20 -0.40 -0.03 0.08 -0.10 0.00 0.00 175.22 174.98 3h0m s VAL 87 N -1.00 3.50 0.27 -0.44 1.01 0.57 -4.86 120.40 119.45 3h0m s VAL 87 Ca 0.45 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3h0m s VAL 87 Cb -0.31 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3h0m s VAL 87 CO 0.39 0.42 0.05 0.68 0.00 0.00 0.00 175.10 176.63 3h0m s VAL 88 N 1.45 0.96 0.48 2.92 -7.23 -1.26 -4.44 120.40 113.28 3h0m s VAL 88 Ca 0.05 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 3h0m s VAL 88 Cb -0.14 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 3h0m s VAL 88 CO -0.02 -0.11 1.39 -2.16 -0.31 0.00 0.00 175.10 173.89 3h0m s PRO 89 N -3.92 3.51 0.45 4.82 0.04 -1.26 -4.89 135.00 133.75 3h0m s PRO 89 Ca 0.34 2.33 -0.22 0.00 0.04 0.00 0.00 61.00 63.49 3h0m s PRO 89 Cb 0.07 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 3h0m s PRO 89 CO 0.13 -0.93 0.77 -2.13 0.04 0.00 0.00 177.00 174.88 3h0m n ARG 90 N -0.47 0.91 -4.45 4.56 0.63 -1.26 -5.02 116.66 111.56 3h0m n ARG 90 Ca 0.07 0.33 -0.31 0.00 -0.92 0.00 0.00 57.85 57.02 3h0m n ARG 90 Cb 0.43 -1.80 -0.11 0.00 0.45 0.00 0.00 32.46 31.43 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 -1.41 3.24 -2.28 5.15 -7.23 -1.26 -5.33 120.40 111.28 3h0m s VAL 91 Ca 0.65 -1.10 0.30 0.00 -1.81 0.00 0.00 61.98 60.02 3h0m s VAL 91 Cb -0.56 -2.43 0.71 0.00 0.56 0.00 0.00 36.38 34.66 3h0m s VAL 91 CO 0.56 0.27 1.96 1.33 -0.31 0.00 0.00 175.10 178.91