#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1h h LEU 6 N 0.00 0.00 -0.19 -0.35 5.85 -2.03 0.22 115.31 118.81 2d1h h LEU 6 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2d1h h LEU 6 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2d1h h LEU 6 CO 0.00 0.00 -0.71 -0.08 -0.34 0.00 0.00 178.44 177.31 2d1h h GLU 7 N 0.00 0.81 0.00 1.25 4.57 -2.02 -3.13 114.58 116.06 2d1h h GLU 7 Ca 0.33 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2d1h h GLU 7 Cb 1.61 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.32 2d1h h GLU 7 CO -0.00 1.24 0.00 -1.13 -1.18 0.00 0.00 179.01 177.93 2d1h n SER 8 N -3.97 0.00 -1.07 1.04 3.41 0.75 -3.07 113.62 110.70 2d1h n SER 8 Ca -0.07 -0.68 0.02 0.00 -0.26 0.00 0.00 58.87 57.87 2d1h n SER 8 Cb 0.71 -0.08 0.23 0.00 -0.26 0.00 0.00 64.21 64.81 2d1h n SER 8 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2d1h n LYS 9 N -1.08 2.44 -0.36 4.33 5.02 -1.05 -4.70 118.16 122.75 2d1h n LYS 9 Ca 0.19 -2.99 -0.00 0.00 -2.02 0.00 0.00 58.31 53.49 2d1h n LYS 9 Cb 0.13 -1.85 0.14 0.00 -0.02 0.00 0.00 35.03 33.43 2d1h n LYS 9 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d1h h LYS 10 N 1.42 1.24 0.78 1.97 1.57 -1.65 -0.48 116.57 121.42 2d1h h LYS 10 Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2d1h h LYS 10 Cb 1.61 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 33.65 2d1h h LYS 10 CO 0.34 0.82 -0.37 -0.44 -0.57 0.00 0.00 179.45 179.23 2d1h h ASP 11 N 1.28 -0.89 -0.52 0.86 3.32 -1.89 0.16 116.42 118.75 2d1h h ASP 11 Ca 0.38 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.57 2d1h h ASP 11 Cb -0.05 0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.63 2d1h h ASP 11 CO -0.11 -0.58 -0.14 -0.33 -1.72 0.00 0.00 179.24 176.37 2d1h h GLU 12 N -1.16 -0.01 -0.50 3.56 3.07 -1.90 -1.06 114.58 116.59 2d1h h GLU 12 Ca -0.11 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2d1h h GLU 12 Cb 0.80 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 2d1h h GLU 12 CO 0.18 -0.01 0.31 0.82 -1.40 0.00 0.00 179.01 178.91 2d1h h ILE 13 N -0.01 1.15 -0.73 3.13 2.04 -1.07 0.24 117.51 122.26 2d1h h ILE 13 Ca 0.25 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2d1h h ILE 13 Cb 0.39 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2d1h h ILE 13 CO -0.54 0.15 0.40 -0.09 0.00 0.00 0.00 178.15 178.07 2d1h h ARG 14 N 0.67 1.03 0.07 2.37 2.43 -0.16 -2.40 114.38 118.38 2d1h h ARG 14 Ca 0.18 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2d1h h ARG 14 Cb -0.02 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2d1h h ARG 14 CO -0.03 0.77 -0.03 0.00 -1.51 0.00 0.00 179.97 179.16 2d1h n TYR 17 N -4.80 0.00 -3.43 0.00 4.01 -0.91 -4.96 117.16 107.07 2d1h n TYR 17 Ca 0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.76 2d1h n TYR 17 Cb 0.46 -0.09 0.09 0.00 -0.31 0.00 0.00 39.34 39.49 2d1h n TYR 17 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2d1h n LYS 18 N -1.41 -6.69 -4.21 -0.72 5.02 -0.22 -5.01 118.16 104.91 2d1h n LYS 18 Ca 0.05 0.84 -0.23 0.00 -2.02 0.00 0.00 58.31 56.95 2d1h n LYS 18 Cb 0.34 -5.84 -0.07 0.00 -0.02 0.00 0.00 35.03 29.45 2d1h n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2d1h s ILE 19 N -3.35 3.34 0.35 -0.18 -4.36 -0.51 -5.03 121.20 111.45 2d1h s ILE 19 Ca 0.06 -1.80 -0.06 0.00 -0.26 0.00 0.00 60.65 58.59 2d1h s ILE 19 Cb -0.03 -2.93 0.08 0.00 1.25 0.00 0.00 42.46 40.83 2d1h s ILE 19 CO 0.72 -0.30 0.48 0.35 0.24 0.00 0.00 174.94 176.43 2d1h n THR 20 N -1.01 0.00 0.09 8.37 -2.24 -1.26 -4.77 114.28 113.46 2d1h n THR 20 Ca -0.05 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 2d1h n THR 20 Cb 0.60 -1.82 -0.11 0.00 -2.10 0.00 0.00 70.33 66.90 2d1h n THR 20 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2d1h h ASP 21 N -0.63 0.60 -0.36 3.42 3.32 -1.99 -2.86 116.42 117.93 2d1h h ASP 21 Ca -0.15 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.31 2d1h h ASP 21 Cb 0.42 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2d1h h ASP 21 CO 0.11 1.40 0.15 0.74 -1.72 0.00 0.00 179.24 179.92 2d1h h THR 22 N 0.18 1.18 0.17 0.35 2.02 -1.98 -0.51 112.91 114.31 2d1h h THR 22 Ca -0.14 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.50 2d1h h THR 22 Cb 1.85 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 2d1h h THR 22 CO 0.21 0.20 -0.39 0.44 0.37 0.00 0.00 175.52 176.35 2d1h h ASP 23 N 0.43 -1.12 0.08 4.18 3.45 -1.94 0.12 116.42 121.63 2d1h h ASP 23 Ca 0.12 0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 2d1h h ASP 23 Cb 0.17 0.41 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 2d1h h ASP 23 CO -0.01 -0.48 -0.07 0.58 -1.57 0.00 0.00 179.24 177.69 2d1h h VAL 24 N -0.65 1.01 -0.03 -1.35 2.07 -1.42 0.08 116.25 115.95 2d1h h VAL 24 Ca 0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2d1h h VAL 24 Cb 0.66 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2d1h h VAL 24 CO -0.20 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.45 2d1h h ALA 25 N 1.93 0.04 -0.30 1.67 0.00 -0.11 -1.70 119.26 120.78 2d1h h ALA 25 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2d1h h ALA 25 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2d1h h ALA 25 CO 0.01 -0.22 0.18 0.28 0.00 0.00 0.00 179.25 179.50 2d1h h VAL 26 N -0.38 1.04 0.41 0.00 2.07 -0.32 -1.68 116.25 117.39 2d1h h VAL 26 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2d1h h VAL 26 Cb 0.48 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2d1h h VAL 26 CO 0.00 0.07 -0.29 0.25 0.02 0.00 0.00 177.57 177.63 2d1h h LEU 27 N 0.36 -0.73 -1.41 2.57 5.85 -0.99 -3.01 115.31 117.95 2d1h h LEU 27 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2d1h h LEU 27 Cb -0.01 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2d1h h LEU 27 CO -0.05 -0.44 0.23 -0.07 -0.34 0.00 0.00 178.44 177.77 2d1h h LEU 28 N -0.68 0.56 -1.60 2.25 -0.00 -1.26 -1.58 115.31 113.01 2d1h h LEU 28 Ca -0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2d1h h LEU 28 Cb 0.58 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2d1h h LEU 28 CO 0.02 0.47 0.00 1.17 -0.00 0.00 0.00 178.44 180.10 2d1h n LYS 29 N -4.40 0.31 0.00 1.13 3.00 -0.64 -1.81 118.16 115.76 2d1h n LYS 29 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2d1h n LYS 29 Cb 0.11 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 33.87 2d1h n LYS 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2d1h n VAL 31 N 0.64 0.00 0.10 3.15 0.31 -0.59 -1.89 118.33 120.05 2d1h n VAL 31 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2d1h n VAL 31 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 2d1h n VAL 31 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2d1h h GLU 32 N 0.00 0.00 0.00 5.55 4.11 -1.64 -3.24 114.58 119.36 2d1h h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d1h h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2d1h h GLU 32 CO 0.00 0.78 0.00 0.44 0.07 0.00 0.00 179.01 180.30 2d1h n ILE 33 N -3.44 0.65 -4.25 -1.06 -5.35 -0.79 -4.92 119.36 100.20 2d1h n ILE 33 Ca 0.00 -0.02 -0.33 0.00 -0.27 0.00 0.00 62.75 62.13 2d1h n ILE 33 Cb 0.80 -0.82 -0.06 0.00 -1.74 0.00 0.00 39.64 37.82 2d1h n ILE 33 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2d1h n GLU 34 N -2.11 -1.89 -3.52 6.28 1.02 -1.22 -4.93 120.64 114.27 2d1h n GLU 34 Ca 0.04 0.23 -0.09 0.00 -0.02 0.00 0.00 57.16 57.32 2d1h n GLU 34 Cb 0.33 -4.29 -0.03 0.00 -0.02 0.00 0.00 31.44 27.43 2d1h n GLU 34 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2d1h s LYS 35 N -7.07 0.76 0.55 3.49 -2.85 -1.26 -5.15 119.74 108.22 2d1h s LYS 35 Ca 0.28 -0.19 -0.21 0.00 -1.00 0.00 0.00 55.97 54.85 2d1h s LYS 35 Cb -0.16 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2d1h s LYS 35 CO 0.96 -0.32 1.29 -1.25 0.10 0.00 0.00 175.35 176.13 2d1h s PRO 36 N -2.65 3.16 0.01 1.78 0.04 -1.26 -4.86 135.00 131.21 2d1h s PRO 36 Ca 0.03 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 2d1h s PRO 36 Cb -0.01 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2d1h s PRO 36 CO -0.06 -1.12 0.19 -1.50 0.04 0.00 0.00 177.00 174.55 2d1h s ILE 37 N -1.41 0.08 0.58 0.56 2.07 -0.17 -4.90 121.20 118.01 2d1h s ILE 37 Ca 0.72 -0.70 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 2d1h s ILE 37 Cb -0.36 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 41.67 2d1h s ILE 37 CO 0.41 -0.39 0.84 0.42 -1.91 0.00 0.00 174.94 174.32 2d1h s THR 38 N -1.67 2.90 0.15 4.00 -4.23 -1.26 -0.16 115.64 115.36 2d1h s THR 38 Ca -0.12 -0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 2d1h s THR 38 Cb -0.05 -3.14 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 2d1h s THR 38 CO 0.01 -0.12 1.46 -1.28 -0.54 0.00 0.00 174.62 174.15 2d1h h SER 39 N -0.10 0.93 0.37 3.99 0.87 -1.98 -2.75 113.55 114.87 2d1h h SER 39 Ca -0.44 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 59.58 2d1h h SER 39 Cb 1.29 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2d1h h SER 39 CO 0.56 1.24 -0.39 1.05 -0.53 0.00 0.00 176.83 178.76 2d1h h GLU 40 N 0.68 0.04 -0.19 2.24 4.11 -1.94 -1.82 114.58 117.69 2d1h h GLU 40 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.40 2d1h h GLU 40 Cb 1.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2d1h h GLU 40 CO 0.11 0.43 -0.06 0.93 0.07 0.00 0.00 179.01 180.49 2d1h h GLU 41 N 0.03 0.38 -0.77 1.06 5.08 -1.92 -2.38 114.58 116.06 2d1h h GLU 41 Ca 0.00 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2d1h h GLU 41 Cb 0.71 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2d1h h GLU 41 CO 0.05 0.64 0.48 -0.07 -1.00 0.00 0.00 179.01 179.12 2d1h h LEU 42 N 0.09 0.79 -1.13 1.33 3.38 -1.29 -1.03 115.31 117.46 2d1h h LEU 42 Ca 0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2d1h h LEU 42 Cb 0.51 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2d1h h LEU 42 CO 0.02 0.54 0.60 0.00 0.09 0.00 0.00 178.44 179.69 2d1h h ALA 43 N 1.33 1.45 -0.00 1.53 0.00 -1.23 0.92 119.26 123.26 2d1h h ALA 43 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2d1h h ALA 43 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2d1h h ALA 43 CO -0.12 0.45 -0.63 -0.44 0.00 0.00 0.00 179.25 178.51 2d1h h ASP 44 N 1.11 0.01 -0.16 0.00 3.32 -0.73 0.78 116.42 120.74 2d1h h ASP 44 Ca 0.37 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 2d1h h ASP 44 Cb 0.07 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2d1h h ASP 44 CO -0.12 0.64 -0.32 0.40 -1.72 0.00 0.00 179.24 178.12 2d1h h ILE 45 N 0.00 1.35 -0.16 0.35 2.04 0.02 -3.28 117.51 117.84 2d1h h ILE 45 Ca -0.01 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2d1h h ILE 45 Cb 1.12 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2d1h h ILE 45 CO 0.08 0.47 0.00 0.49 0.00 0.00 0.00 178.15 179.20 2d1h n PHE 46 N -4.36 0.19 -3.59 1.37 3.01 0.19 -4.99 117.46 109.28 2d1h n PHE 46 Ca -0.06 -0.10 -0.25 0.00 1.01 0.00 0.00 57.45 58.05 2d1h n PHE 46 Cb 0.48 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.98 2d1h n PHE 46 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2d1h n LYS 47 N 1.32 -1.30 -4.16 -1.08 0.00 0.26 -5.00 118.16 108.21 2d1h n LYS 47 Ca 0.15 0.68 -0.10 0.00 0.00 0.00 0.00 58.31 59.04 2d1h n LYS 47 Cb 0.57 -4.13 -0.10 0.00 0.00 0.00 0.00 35.03 31.37 2d1h n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2d1h s LEU 48 N -5.82 2.30 0.56 3.14 1.43 -0.53 -5.03 118.68 114.74 2d1h s LEU 48 Ca 0.33 -1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 2d1h s LEU 48 Cb -0.11 0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 2d1h s LEU 48 CO 0.85 -0.57 1.11 -0.94 0.23 0.00 0.00 176.35 177.03 2d1h s SER 49 N -3.03 5.66 0.18 2.29 1.04 -1.26 -4.55 113.70 114.03 2d1h s SER 49 Ca 0.15 2.09 -0.19 0.00 0.48 0.00 0.00 55.95 58.49 2d1h s SER 49 Cb 0.07 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.74 2d1h s SER 49 CO -0.04 -1.26 1.63 0.11 0.98 0.00 0.00 173.24 174.66 2d1h h LYS 50 N 0.95 -0.12 -0.43 4.02 1.57 -1.96 -1.60 116.57 119.01 2d1h h LYS 50 Ca -0.49 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2d1h h LYS 50 Cb 1.25 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 2d1h h LYS 50 CO 0.57 -0.08 -0.17 1.15 -0.57 0.00 0.00 179.45 180.35 2d1h h THR 51 N -0.12 0.45 0.16 -0.16 2.02 -1.96 0.39 112.91 113.69 2d1h h THR 51 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2d1h h THR 51 Cb 0.45 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2d1h h THR 51 CO -0.53 0.00 -0.46 0.74 0.37 0.00 0.00 175.52 175.65 2d1h h THR 52 N -0.08 0.10 -0.37 3.16 2.02 -1.69 -0.93 112.91 115.11 2d1h h THR 52 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.47 2d1h h THR 52 Cb 0.40 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 2d1h h THR 52 CO -0.48 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 175.81 2d1h h VAL 53 N -0.72 0.47 -0.11 3.16 2.07 -0.63 -0.38 116.25 120.11 2d1h h VAL 53 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2d1h h VAL 53 Cb 0.72 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2d1h h VAL 53 CO -0.23 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.14 2d1h h GLU 54 N -0.11 0.00 -0.45 1.57 5.08 0.23 -0.64 114.58 120.26 2d1h h GLU 54 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2d1h h GLU 54 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2d1h h GLU 54 CO -0.44 0.00 -0.29 -0.91 -1.00 0.00 0.00 179.01 176.37 2d1h h ASN 55 N 0.00 1.02 0.32 1.42 2.35 0.32 -0.54 115.58 120.48 2d1h h ASN 55 Ca 0.05 -0.42 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 2d1h h ASN 55 Cb 0.28 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2d1h h ASN 55 CO -0.00 1.22 -0.16 0.28 -1.65 0.00 0.00 177.43 177.13 2d1h h SER 56 N 0.83 -0.37 -0.61 5.81 0.02 -0.99 -1.88 113.55 116.36 2d1h h SER 56 Ca 0.09 -0.14 0.13 0.00 -0.84 0.00 0.00 61.79 61.03 2d1h h SER 56 Cb 0.87 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 2d1h h SER 56 CO 0.08 -0.06 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.56 2d1h h LEU 57 N -0.70 -0.43 -0.04 5.07 3.38 -1.27 0.14 115.31 121.46 2d1h h LEU 57 Ca -0.04 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2d1h h LEU 57 Cb 0.48 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2d1h h LEU 57 CO 0.07 -0.16 -0.19 0.50 0.09 0.00 0.00 178.44 178.74 2d1h h LYS 58 N 0.05 -0.28 -0.80 1.13 1.63 -1.03 0.21 116.57 117.48 2d1h h LYS 58 Ca 0.31 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.25 2d1h h LYS 58 Cb 0.48 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.09 2d1h h LYS 58 CO -0.58 -0.19 0.40 -0.22 -3.45 0.00 0.00 179.45 175.41 2d1h h LYS 59 N -0.30 0.59 -0.05 1.90 3.64 -0.18 -0.97 116.57 121.21 2d1h h LYS 59 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 2d1h h LYS 59 Cb 0.39 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2d1h h LYS 59 CO -0.21 0.39 -0.61 -0.07 -2.27 0.00 0.00 179.45 176.68 2d1h h LEU 60 N 0.61 0.22 -0.37 5.20 3.38 0.15 -2.92 115.31 121.58 2d1h h LEU 60 Ca 0.42 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2d1h h LEU 60 Cb 0.55 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2d1h h LEU 60 CO -0.33 0.78 -0.24 0.40 0.09 0.00 0.00 178.44 179.14 2d1h h ILE 61 N 0.14 1.28 -0.08 1.22 2.04 0.25 -0.21 117.51 122.16 2d1h h ILE 61 Ca -0.01 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2d1h h ILE 61 Cb 1.12 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2d1h h ILE 61 CO 0.09 0.46 -0.10 -0.33 0.00 0.00 0.00 178.15 178.28 2d1h h GLU 62 N 0.61 0.12 -0.00 2.37 5.08 -1.18 0.16 114.58 121.74 2d1h h GLU 62 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2d1h h GLU 62 Cb 0.81 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2d1h h GLU 62 CO 0.07 0.23 -0.00 1.28 -1.00 0.00 0.00 179.01 179.58 2d1h n LEU 63 N -4.36 0.35 -2.85 1.33 4.77 -1.02 -4.90 117.00 110.32 2d1h n LEU 63 Ca -0.02 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.65 2d1h n LEU 63 Cb 0.21 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2d1h n LEU 63 CO 0.36 0.06 0.05 0.61 -1.33 0.00 0.00 177.39 177.14 2d1h n GLY 64 N 1.05 -0.40 0.05 -0.72 0.00 0.56 -4.88 105.19 100.85 2d1h n GLY 64 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 2d1h n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d1h n LEU 65 N -3.85 0.00 -4.25 0.99 4.77 -0.14 -4.92 117.00 109.61 2d1h n LEU 65 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 2d1h n LEU 65 Cb 0.60 0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.79 2d1h n LEU 65 CO 0.46 0.24 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.56 2d1h s VAL 66 N -2.66 1.65 -0.05 4.08 1.01 -1.15 -3.27 120.40 120.01 2d1h s VAL 66 Ca -0.07 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 60.74 2d1h s VAL 66 Cb 0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2d1h s VAL 66 CO 0.66 0.17 -0.22 -0.69 0.00 0.00 0.00 175.10 175.02 2d1h s VAL 67 N -0.84 1.80 0.19 2.92 1.01 0.25 -4.22 120.40 121.51 2d1h s VAL 67 Ca 0.07 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.18 2d1h s VAL 67 Cb -0.09 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2d1h s VAL 67 CO 0.02 0.51 0.10 0.00 0.00 0.00 0.00 175.10 175.72 2d1h s ARG 68 N -0.13 2.73 -0.10 2.72 1.70 -1.26 -0.86 118.95 123.76 2d1h s ARG 68 Ca -0.02 -1.00 -0.07 0.00 -0.47 0.00 0.00 55.73 54.17 2d1h s ARG 68 Cb -0.12 -2.52 0.03 0.00 -0.57 0.00 0.00 34.95 31.77 2d1h s ARG 68 CO 0.03 0.46 0.24 0.99 -1.08 0.00 0.00 175.30 175.93 2d1h s THR 69 N -1.83 -0.02 0.95 4.99 2.01 -0.04 -4.98 115.64 116.72 2d1h s THR 69 Ca 0.30 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.23 2d1h s THR 69 Cb -0.09 -0.35 0.20 0.00 0.01 0.00 0.00 72.50 72.27 2d1h s THR 69 CO 0.22 0.03 1.30 -1.59 -0.69 0.00 0.00 174.62 173.89 2d1h s LYS 70 N 0.71 0.62 0.00 4.92 0.00 -1.26 -1.28 119.74 123.45 2d1h s LYS 70 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 55.97 55.38 2d1h s LYS 70 Cb -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 37.83 35.88 2d1h s LYS 70 CO -0.04 -2.39 0.00 2.41 0.00 0.00 0.00 175.35 175.33 2d1h n THR 71 N -3.71 0.00 0.00 3.79 -1.04 -1.26 -4.85 114.28 107.21 2d1h n THR 71 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2d1h n THR 71 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2d1h n THR 71 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2d1h n PRO 79 N 0.00 0.00 0.05 -2.82 -0.02 -1.26 -5.17 135.00 125.78 2d1h n PRO 79 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2d1h n PRO 79 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2d1h n PRO 79 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2d1h n LYS 80 N 0.00 0.00 -4.32 -0.52 4.81 -1.26 -5.15 118.16 111.72 2d1h n LYS 80 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2d1h n LYS 80 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2d1h n LYS 80 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2d1h s TYR 81 N -2.00 2.55 0.06 5.64 1.51 -1.26 -4.60 117.35 119.25 2d1h s TYR 81 Ca 0.00 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2d1h s TYR 81 Cb 0.00 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2d1h s TYR 81 CO 0.00 0.50 -0.20 0.71 -1.11 0.00 0.00 175.55 175.45 2d1h s TYR 82 N -1.64 1.71 0.03 2.71 1.51 -0.41 -4.47 117.35 116.79 2d1h s TYR 82 Ca 0.23 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 2d1h s TYR 82 Cb -0.09 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 2d1h s TYR 82 CO 0.14 0.11 -0.22 0.71 -1.11 0.00 0.00 175.55 175.17 2d1h s TYR 83 N -0.89 1.94 0.10 2.71 1.51 0.77 -0.86 117.35 122.63 2d1h s TYR 83 Ca 0.06 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 2d1h s TYR 83 Cb -0.09 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2d1h s TYR 83 CO 0.02 0.06 0.18 -1.54 -1.11 0.00 0.00 175.55 173.16 2d1h s SER 84 N -0.98 0.15 0.32 2.29 1.04 -0.04 -1.00 113.70 115.48 2d1h s SER 84 Ca 0.08 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.65 2d1h s SER 84 Cb -0.09 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.28 2d1h s SER 84 CO 0.01 -0.74 0.74 -0.63 0.98 0.00 0.00 173.24 173.60 2d1h s ILE 85 N -3.88 4.68 0.26 -1.02 -1.09 -1.26 -0.58 121.20 118.30 2d1h s ILE 85 Ca 0.07 0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 59.14 2d1h s ILE 85 Cb 0.05 -3.62 -0.11 0.00 -1.58 0.00 0.00 42.46 37.21 2d1h s ILE 85 CO -0.09 -0.18 1.57 -0.44 -1.23 0.00 0.00 174.94 174.57 2d1h s SER 86 N -2.26 6.47 0.53 3.58 0.01 -1.20 -4.88 113.70 115.95 2d1h s SER 86 Ca 0.54 2.83 0.25 0.00 1.31 0.00 0.00 55.95 60.88 2d1h s SER 86 Cb -0.10 -2.62 1.40 0.00 0.21 0.00 0.00 66.02 64.90 2d1h s SER 86 CO 0.17 -0.86 2.00 -1.28 0.41 0.00 0.00 173.24 173.69 2d1h h SER 87 N 5.38 0.00 -0.48 2.44 0.87 -1.95 -0.82 113.55 118.99 2d1h h SER 87 Ca -0.46 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.90 2d1h h SER 87 Cb 1.21 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.05 2d1h h SER 87 CO 0.83 0.00 0.09 -0.46 -0.53 0.00 0.00 176.83 176.76 2d1h n ASN 88 N -4.36 3.22 -0.31 6.23 0.23 -1.26 -4.79 115.26 114.22 2d1h n ASN 88 Ca 0.09 -3.54 0.15 0.00 -0.53 0.00 0.00 54.58 50.75 2d1h n ASN 88 Cb 0.58 -0.66 0.33 0.00 -2.08 0.00 0.00 39.78 37.95 2d1h n ASN 88 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2d1h h ILE 89 N 1.34 0.41 -0.58 1.53 6.09 -1.51 -1.71 117.51 123.08 2d1h h ILE 89 Ca 0.25 -0.12 -0.03 0.00 -1.37 0.00 0.00 64.86 63.60 2d1h h ILE 89 Cb 1.89 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 39.18 2d1h h ILE 89 CO 0.51 0.06 0.25 -0.07 -3.07 0.00 0.00 178.15 175.84 2d1h h LEU 90 N 0.35 0.75 -0.17 2.19 3.38 -1.87 -1.62 115.31 118.31 2d1h h LEU 90 Ca 0.59 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 58.25 2d1h h LEU 90 Cb 1.18 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2d1h h LEU 90 CO -0.57 0.66 -0.88 -0.33 0.09 0.00 0.00 178.44 177.41 2d1h h GLU 91 N 0.82 0.61 -0.55 1.13 4.39 -1.73 -2.25 114.58 116.99 2d1h h GLU 91 Ca 0.20 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 59.35 2d1h h GLU 91 Cb 0.12 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2d1h h GLU 91 CO -0.02 1.18 0.34 -0.22 -1.16 0.00 0.00 179.01 179.13 2d1h h LYS 92 N 0.38 0.66 -0.40 2.33 3.64 -1.02 -1.65 116.57 120.51 2d1h h LYS 92 Ca -0.07 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 2d1h h LYS 92 Cb 1.50 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2d1h h LYS 92 CO 0.17 0.44 -0.21 0.82 -2.27 0.00 0.00 179.45 178.39 2d1h h ILE 93 N 0.68 1.27 -0.26 2.00 2.04 -1.32 -0.37 117.51 121.55 2d1h h ILE 93 Ca 0.22 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2d1h h ILE 93 Cb 0.00 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2d1h h ILE 93 CO -0.09 0.44 0.12 -0.09 0.00 0.00 0.00 178.15 178.53 2d1h h ARG 94 N 0.69 0.25 -0.45 2.37 2.43 -1.04 0.23 114.38 118.86 2d1h h ARG 94 Ca 0.10 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2d1h h ARG 94 Cb 0.72 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2d1h h ARG 94 CO 0.06 0.16 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.59 2d1h h ASN 95 N 0.25 0.92 -0.03 -3.80 2.35 -1.18 -2.45 115.58 111.65 2d1h h ASN 95 Ca 0.11 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 2d1h h ASN 95 Cb 0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2d1h h ASN 95 CO -0.08 1.10 -0.09 0.44 -1.65 0.00 0.00 177.43 177.15 2d1h h ASP 96 N 0.74 0.24 0.64 5.81 3.32 -0.67 -1.90 116.42 124.60 2d1h h ASP 96 Ca 0.10 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.89 2d1h h ASP 96 Cb 0.74 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2d1h h ASP 96 CO 0.06 0.37 -1.01 -0.07 -1.72 0.00 0.00 179.24 176.86 2d1h h LEU 97 N 0.25 0.29 -0.59 1.55 3.38 -0.85 -1.96 115.31 117.38 2d1h h LEU 97 Ca 0.05 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2d1h h LEU 97 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2d1h h LEU 97 CO 0.02 1.13 -0.02 -0.07 0.09 0.00 0.00 178.44 179.59 2d1h h LEU 98 N 0.09 1.04 -0.44 1.67 3.38 -1.16 -0.94 115.31 118.94 2d1h h LEU 98 Ca -0.07 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.44 2d1h h LEU 98 Cb 1.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2d1h h LEU 98 CO 0.16 1.10 -0.29 0.78 0.09 0.00 0.00 178.44 180.27 2d1h h ASN 99 N 0.95 1.03 -0.65 -0.43 2.35 -1.35 -1.84 115.58 115.63 2d1h h ASN 99 Ca 0.17 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2d1h h ASN 99 Cb 0.58 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2d1h h ASN 99 CO 0.03 1.23 0.41 0.00 -1.65 0.00 0.00 177.43 177.46 2d1h h ALA 101 N 1.22 1.07 -0.53 0.00 0.00 -1.02 -2.72 119.26 117.29 2d1h h ALA 101 Ca 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2d1h h ALA 101 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2d1h h ALA 101 CO -0.05 0.64 -0.05 0.87 0.00 0.00 0.00 179.25 180.67 2d1h h LYS 102 N 1.09 0.97 -1.51 0.00 1.57 -0.85 0.01 116.57 117.85 2d1h h LYS 102 Ca 0.24 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2d1h h LYS 102 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2d1h h LYS 102 CO -0.02 1.00 0.00 0.54 -0.57 0.00 0.00 179.45 180.41 2d1h n ARG 103 N -4.23 0.38 0.00 3.15 1.74 0.12 -2.24 116.66 115.58 2d1h n ARG 103 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2d1h n ARG 103 Cb 0.36 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2d1h n ARG 103 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2d1h n GLU 105 N 0.77 0.00 -0.21 5.56 1.02 -0.01 -1.48 120.64 126.29 2d1h n GLU 105 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2d1h n GLU 105 Cb 0.18 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.62 2d1h n GLU 105 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2d1h h LEU 106 N 0.00 0.82 -1.57 -4.62 5.85 -1.71 -2.34 115.31 111.74 2d1h h LEU 106 Ca 0.00 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2d1h h LEU 106 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2d1h h LEU 106 CO 0.00 0.78 -0.23 0.00 -0.34 0.00 0.00 178.44 178.65 2d1h h ALA 107 N 1.07 1.43 0.00 1.25 0.00 -1.55 -1.82 119.26 119.64 2d1h h ALA 107 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d1h h ALA 107 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2d1h h ALA 107 CO -0.01 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2d1h n ALA 108 N -2.41 2.44 0.00 0.00 0.00 -0.89 -5.25 120.51 114.40 2d1h n ALA 108 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2d1h n ALA 108 Cb 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2d1h n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91