#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h58 s VAL 1 N 0.00 -0.02 0.37 3.17 1.01 -1.26 -5.05 120.40 118.63 3h58 s VAL 1 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3h58 s VAL 1 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 35.78 3h58 s VAL 1 CO 0.00 0.02 0.74 -0.76 0.00 0.00 0.00 175.10 175.10 3h58 s LEU 2 N 0.79 3.90 0.57 3.92 1.02 -1.26 -5.08 118.68 122.54 3h58 s LEU 2 Ca -0.05 1.12 -0.05 0.00 0.02 0.00 0.00 54.13 55.17 3h58 s LEU 2 Cb -0.06 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.18 3h58 s LEU 2 CO -0.06 -0.34 0.87 -0.94 0.02 0.00 0.00 176.35 175.90 3h58 s SER 3 N -2.97 5.68 0.30 2.29 1.04 -1.26 -4.92 113.70 113.85 3h58 s SER 3 Ca 0.51 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.62 3h58 s SER 3 Cb -0.10 -1.74 0.46 0.00 0.10 0.00 0.00 66.02 64.74 3h58 s SER 3 CO 0.28 -0.98 1.90 -0.08 0.98 0.00 0.00 173.24 175.34 3h58 h GLU 4 N -0.08 0.89 -0.82 4.02 4.57 -1.99 -1.33 114.58 119.84 3h58 h GLU 4 Ca -0.46 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3h58 h GLU 4 Cb 1.25 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3h58 h GLU 4 CO 0.60 0.70 0.54 0.78 -1.18 0.00 0.00 179.01 180.45 3h58 h GLY 5 N 0.98 1.17 1.23 1.92 0.00 -1.99 0.56 103.07 106.92 3h58 h GLY 5 Ca 0.22 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 3h58 h GLY 5 CO -0.03 0.41 -0.29 0.83 0.00 0.00 0.00 176.54 177.46 3h58 h GLU 6 N 1.10 0.87 -0.58 4.80 5.08 -1.77 -2.55 114.58 121.53 3h58 h GLU 6 Ca 0.31 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3h58 h GLU 6 Cb -0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3h58 h GLU 6 CO -0.08 1.04 0.20 -1.49 -1.00 0.00 0.00 179.01 177.68 3h58 h TRP 7 N 0.74 0.86 -0.91 4.33 4.06 -0.66 -1.99 115.95 122.38 3h58 h TRP 7 Ca 0.08 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 3h58 h TRP 7 Cb 0.84 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.70 3h58 h TRP 7 CO 0.05 0.69 0.51 1.96 -3.56 0.00 0.00 178.44 178.08 3h58 h GLN 8 N 0.83 1.26 -0.42 0.49 4.20 -0.57 0.73 115.11 121.62 3h58 h GLN 8 Ca 0.19 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3h58 h GLN 8 Cb 0.21 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3h58 h GLN 8 CO -0.01 0.91 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.88 3h58 h LEU 9 N 1.26 0.74 -0.10 1.46 3.38 -1.04 -0.65 115.31 120.37 3h58 h LEU 9 Ca 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3h58 h LEU 9 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3h58 h LEU 9 CO -0.05 0.87 -0.06 0.58 0.09 0.00 0.00 178.44 179.87 3h58 h VAL 10 N 0.68 1.33 0.00 1.22 2.07 -0.68 -3.05 116.25 117.82 3h58 h VAL 10 Ca 0.12 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3h58 h VAL 10 Cb 0.58 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3h58 h VAL 10 CO 0.04 0.31 -0.14 -0.07 0.02 0.00 0.00 177.57 177.73 3h58 h LEU 11 N -0.16 0.00 -0.21 2.57 3.38 -0.83 -2.06 115.31 118.00 3h58 h LEU 11 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3h58 h LEU 11 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3h58 h LEU 11 CO 0.02 0.14 -0.15 -0.74 0.09 0.00 0.00 178.44 177.80 3h58 h HIS 12 N 0.00 0.55 -0.00 1.13 2.76 -1.10 -1.73 115.15 116.75 3h58 h HIS 12 Ca -0.00 -0.15 -0.18 0.00 -2.20 0.00 0.00 60.37 57.84 3h58 h HIS 12 Cb 0.79 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3h58 h HIS 12 CO 0.00 0.79 -0.80 -0.24 -1.30 0.00 0.00 177.93 176.38 3h58 h VAL 13 N 0.15 1.51 0.00 5.26 3.04 -1.49 -3.01 116.25 121.71 3h58 h VAL 13 Ca 0.04 -2.57 -0.06 0.00 -1.01 0.00 0.00 66.70 63.10 3h58 h VAL 13 Cb 0.67 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 3h58 h VAL 13 CO 0.04 0.74 -0.29 -0.25 -1.01 0.00 0.00 177.57 176.80 3h58 h TRP 14 N 0.07 0.00 -0.20 3.17 2.91 -1.31 -1.13 115.95 119.47 3h58 h TRP 14 Ca -0.02 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 3h58 h TRP 14 Cb 1.41 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 3h58 h TRP 14 CO 0.02 0.29 -0.05 0.00 -1.03 0.00 0.00 178.44 177.67 3h58 h ALA 15 N 1.71 1.56 -0.06 2.65 0.00 -1.17 0.38 119.26 124.33 3h58 h ALA 15 Ca -0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3h58 h ALA 15 Cb 0.52 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3h58 h ALA 15 CO 0.04 0.32 -0.95 0.87 0.00 0.00 0.00 179.25 179.53 3h58 h LYS 16 N 0.29 0.73 -0.93 0.00 1.79 -1.27 -3.09 116.57 114.10 3h58 h LYS 16 Ca 0.06 -0.72 0.05 0.00 -2.18 0.00 0.00 60.65 57.86 3h58 h LYS 16 Cb 0.28 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 3h58 h LYS 16 CO 0.01 1.30 0.61 0.28 -1.08 0.00 0.00 179.45 180.57 3h58 h VAL 17 N 0.45 1.13 0.00 0.50 2.07 -0.45 -1.57 116.25 118.37 3h58 h VAL 17 Ca -0.10 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3h58 h VAL 17 Cb 1.59 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3h58 h VAL 17 CO 0.19 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 3h58 n GLU 18 N -4.46 0.08 0.23 1.57 1.02 0.05 -1.97 120.64 117.16 3h58 n GLU 18 Ca 0.13 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.59 3h58 n GLU 18 Cb 0.13 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.61 3h58 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h58 h ALA 19 N 2.53 1.21 -0.91 0.62 0.00 -1.31 -3.35 119.26 118.04 3h58 h ALA 19 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 3h58 h ALA 19 Cb 0.19 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.72 3h58 h ALA 19 CO 0.00 0.27 -0.67 -3.47 0.00 0.00 0.00 179.25 175.38 3h58 n ASP 20 N -3.65 -2.17 -0.23 0.00 2.03 -0.83 -5.02 116.55 106.68 3h58 n ASP 20 Ca -0.01 -2.98 -0.04 0.00 0.52 0.00 0.00 54.79 52.28 3h58 n ASP 20 Cb 0.34 1.06 0.07 0.00 -0.72 0.00 0.00 41.12 41.87 3h58 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3h58 h VAL 21 N 3.49 1.07 -0.40 5.18 2.07 -1.69 -2.28 116.25 123.70 3h58 h VAL 21 Ca -0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3h58 h VAL 21 Cb 1.01 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3h58 h VAL 21 CO 0.28 0.14 0.16 0.00 0.02 0.00 0.00 177.57 178.17 3h58 h ALA 22 N 1.28 0.48 -0.49 1.67 0.00 -1.91 0.13 119.26 120.42 3h58 h ALA 22 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3h58 h ALA 22 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h58 h ALA 22 CO -0.11 -0.22 0.24 0.78 0.00 0.00 0.00 179.25 179.94 3h58 h GLY 23 N 0.34 0.76 1.49 0.00 0.00 -1.89 -1.29 103.07 102.48 3h58 h GLY 23 Ca 0.18 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3h58 h GLY 23 CO -0.16 0.36 -0.17 0.45 0.00 0.00 0.00 176.54 177.02 3h58 h HIS 24 N 0.65 0.67 -0.58 5.60 3.86 -1.10 -2.08 115.15 122.17 3h58 h HIS 24 Ca 0.17 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3h58 h HIS 24 Cb 0.11 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3h58 h HIS 24 CO -0.01 0.74 0.26 0.78 0.86 0.00 0.00 177.93 180.56 3h58 h GLY 25 N 0.98 0.90 0.90 2.45 0.00 -0.33 -1.17 103.07 106.79 3h58 h GLY 25 Ca 0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3h58 h GLY 25 CO 0.04 0.44 -0.07 1.46 0.00 0.00 0.00 176.54 178.41 3h58 h GLN 26 N 0.79 -0.19 -0.57 4.80 4.20 -1.00 -1.87 115.11 121.26 3h58 h GLN 26 Ca 0.20 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.99 3h58 h GLN 26 Cb 0.15 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 3h58 h GLN 26 CO -0.02 -0.03 0.24 -0.44 -0.67 0.00 0.00 178.83 177.91 3h58 h ASP 27 N -0.30 0.29 -0.19 1.46 3.32 -1.25 -0.31 116.42 119.45 3h58 h ASP 27 Ca -0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3h58 h ASP 27 Cb 0.24 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3h58 h ASP 27 CO 0.03 0.19 0.04 0.40 -1.72 0.00 0.00 179.24 178.18 3h58 h ILE 28 N 0.45 1.21 -0.51 0.35 2.04 -1.13 -0.50 117.51 119.42 3h58 h ILE 28 Ca 0.27 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3h58 h ILE 28 Cb 0.27 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3h58 h ILE 28 CO -0.24 0.21 0.04 -0.07 0.00 0.00 0.00 178.15 178.09 3h58 h LEU 29 N 0.11 0.85 -0.93 1.44 3.38 -1.15 -0.70 115.31 118.31 3h58 h LEU 29 Ca 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3h58 h LEU 29 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3h58 h LEU 29 CO 0.00 0.92 0.32 0.40 0.09 0.00 0.00 178.44 180.17 3h58 h ILE 30 N 0.74 1.25 -0.51 1.22 2.04 -1.00 -0.29 117.51 120.96 3h58 h ILE 30 Ca 0.15 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3h58 h ILE 30 Cb 0.46 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3h58 h ILE 30 CO 0.02 0.31 0.02 -0.09 0.00 0.00 0.00 178.15 178.41 3h58 h ARG 31 N 1.07 0.88 0.18 2.37 9.65 -0.84 -1.38 114.38 126.31 3h58 h ARG 31 Ca 0.25 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3h58 h ARG 31 Cb 0.17 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3h58 h ARG 31 CO -0.03 0.90 -0.15 1.25 2.80 0.00 0.00 179.97 184.75 3h58 h LEU 32 N 0.75 -0.38 -1.60 3.80 5.85 -0.55 -0.00 115.31 123.17 3h58 h LEU 32 Ca 0.15 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3h58 h LEU 32 Cb 0.49 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3h58 h LEU 32 CO 0.02 -0.23 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.45 3h58 h PHE 33 N -0.34 0.03 0.14 1.25 0.04 -0.95 0.15 116.94 117.26 3h58 h PHE 33 Ca -0.01 -0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 3h58 h PHE 33 Cb 0.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3h58 h PHE 33 CO -0.12 0.21 -1.44 0.87 -0.60 0.00 0.00 178.31 177.23 3h58 h LYS 34 N 0.03 0.30 0.03 1.51 1.57 -1.02 -2.76 116.57 116.23 3h58 h LYS 34 Ca 0.00 -0.51 -0.22 0.00 -1.87 0.00 0.00 60.65 58.05 3h58 h LYS 34 Cb 0.33 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3h58 h LYS 34 CO 0.02 1.20 -1.01 0.77 -0.57 0.00 0.00 179.45 179.87 3h58 h SER 35 N 0.08 0.15 -2.14 0.86 0.02 -0.80 -3.39 113.55 108.33 3h58 h SER 35 Ca -0.21 -0.15 -0.57 0.00 -0.84 0.00 0.00 61.79 60.02 3h58 h SER 35 Cb 2.03 -0.05 -0.39 0.00 0.14 0.00 0.00 62.40 64.13 3h58 h SER 35 CO 0.19 1.06 -1.06 1.41 -1.14 0.00 0.00 176.83 177.30 3h58 n HIS 36 N -3.48 -0.56 -0.40 3.45 8.25 0.51 -5.00 115.22 117.99 3h58 n HIS 36 Ca -0.03 -3.47 0.33 0.00 -0.26 0.00 0.00 57.72 54.30 3h58 n HIS 36 Cb 0.91 -0.11 0.63 0.00 1.12 0.00 0.00 29.99 32.54 3h58 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3h58 h PRO 37 N 4.63 0.16 -0.14 -0.41 0.11 -1.67 -0.20 132.00 134.49 3h58 h PRO 37 Ca 0.15 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.29 3h58 h PRO 37 Cb 0.89 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3h58 h PRO 37 CO 0.43 0.11 0.10 1.05 -0.21 0.00 0.00 178.00 179.48 3h58 h GLU 38 N 0.17 0.00 -0.10 1.05 9.09 -1.92 -1.78 114.58 121.08 3h58 h GLU 38 Ca 0.71 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 60.07 3h58 h GLU 38 Cb 2.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.34 3h58 h GLU 38 CO -0.27 0.00 -0.17 1.79 0.05 0.00 0.00 179.01 180.41 3h58 h THR 39 N 0.00 1.18 0.00 -1.06 1.35 -1.37 -2.51 112.91 110.50 3h58 h THR 39 Ca 0.07 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 3h58 h THR 39 Cb 0.27 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3h58 h THR 39 CO -0.00 0.24 -0.10 0.25 -0.25 0.00 0.00 175.52 175.66 3h58 h LEU 40 N 0.16 0.00 -2.53 3.87 5.85 -1.48 -2.30 115.31 118.87 3h58 h LEU 40 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3h58 h LEU 40 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3h58 h LEU 40 CO 0.03 0.10 0.00 -0.33 -0.34 0.00 0.00 178.44 177.90 3h58 h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.57 -1.70 114.58 117.64 3h58 h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h58 h GLU 41 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3h58 h GLU 41 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3h58 n LYS 42 N -2.98 0.18 -3.31 2.33 4.76 -0.86 -4.52 118.16 113.75 3h58 n LYS 42 Ca -0.02 0.15 -0.46 0.00 -2.87 0.00 0.00 58.31 55.10 3h58 n LYS 42 Cb 0.11 -1.71 -0.04 0.00 -1.84 0.00 0.00 35.03 31.55 3h58 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3h58 s PHE 43 N -3.07 3.48 0.54 2.13 0.40 -0.64 -4.90 117.98 115.92 3h58 s PHE 43 Ca 0.12 -1.60 0.21 0.00 -0.60 0.00 0.00 56.93 55.05 3h58 s PHE 43 Cb 0.14 -3.82 1.43 0.00 0.51 0.00 0.00 43.02 41.29 3h58 s PHE 43 CO 0.57 -1.02 2.16 -0.44 0.70 0.00 0.00 175.22 177.19 3h58 h ASP 44 N 8.39 0.00 1.55 1.36 3.32 -1.84 0.33 116.42 129.52 3h58 h ASP 44 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3h58 h ASP 44 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3h58 h ASP 44 CO 0.91 0.00 -0.10 0.03 -1.72 0.00 0.00 179.24 178.36 3h58 h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -1.95 -3.37 114.38 115.70 3h58 h ARG 45 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3h58 h ARG 45 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3h58 h ARG 45 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3h58 n PHE 46 N -2.50 0.00 0.14 3.04 3.72 -0.65 -4.81 117.46 116.41 3h58 n PHE 46 Ca 0.05 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.63 3h58 n PHE 46 Cb 0.46 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.69 3h58 n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3h58 h LYS 47 N 0.00 0.00 0.00 -1.08 1.63 -0.56 -1.31 116.57 115.25 3h58 h LYS 47 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3h58 h LYS 47 Cb 0.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3h58 h LYS 47 CO 0.00 0.00 -0.21 1.12 -3.45 0.00 0.00 179.45 176.91 3h58 h HIS 48 N 0.00 0.00 -2.13 1.91 2.07 -1.87 -3.46 115.15 111.67 3h58 h HIS 48 Ca 0.16 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 57.07 3h58 h HIS 48 Cb 1.21 0.00 0.05 0.00 2.57 0.00 0.00 27.41 31.24 3h58 h HIS 48 CO 0.00 0.21 0.85 1.28 -3.07 0.00 0.00 177.93 177.21 3h58 n LEU 49 N -3.19 3.04 -0.10 6.12 4.77 -0.50 -4.90 117.00 122.24 3h58 n LEU 49 Ca 0.02 1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.94 3h58 n LEU 49 Cb 0.56 -1.38 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 3h58 n LEU 49 CO 0.36 -0.29 -1.18 0.29 -1.33 0.00 0.00 177.39 175.23 3h58 n LYS 50 N 4.29 0.68 -4.36 3.23 5.02 -1.26 -5.03 118.16 120.72 3h58 n LYS 50 Ca 0.19 0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 3h58 n LYS 50 Cb 0.28 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 3h58 n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h58 s THR 51 N -2.50 1.12 0.35 -0.18 -4.23 -1.26 -5.02 115.64 103.92 3h58 s THR 51 Ca -0.14 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.39 3h58 s THR 51 Cb 0.07 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.60 3h58 s THR 51 CO 0.79 -0.24 1.88 -0.08 -0.54 0.00 0.00 174.62 176.43 3h58 h GLU 52 N 2.38 0.39 -0.55 3.99 4.81 -1.98 -1.65 114.58 121.96 3h58 h GLU 52 Ca -0.39 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3h58 h GLU 52 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3h58 h GLU 52 CO 0.66 0.49 0.30 0.00 -0.73 0.00 0.00 179.01 179.73 3h58 h ALA 53 N 1.55 0.71 -0.19 2.92 0.00 -1.99 0.42 119.26 122.68 3h58 h ALA 53 Ca 0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3h58 h ALA 53 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h58 h ALA 53 CO 0.02 0.23 -0.38 0.93 0.00 0.00 0.00 179.25 180.05 3h58 h GLU 54 N 0.74 0.43 -0.38 0.00 5.08 -1.84 -2.00 114.58 116.62 3h58 h GLU 54 Ca 0.19 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3h58 h GLU 54 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3h58 h GLU 54 CO -0.03 0.74 0.03 0.52 -1.00 0.00 0.00 179.01 179.27 3h58 h MET 55 N 0.36 0.65 -0.23 2.33 2.86 -0.82 -2.17 114.93 117.90 3h58 h MET 55 Ca 0.04 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3h58 h MET 55 Cb 0.83 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3h58 h MET 55 CO 0.07 0.73 -0.16 0.87 1.06 0.00 0.00 176.91 179.48 3h58 h LYS 56 N 0.48 0.39 -0.00 1.72 1.57 -0.78 -2.63 116.57 117.31 3h58 h LYS 56 Ca 0.11 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h58 h LYS 56 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3h58 h LYS 56 CO 0.01 0.54 -0.10 0.00 -0.57 0.00 0.00 179.45 179.33 3h58 n ALA 57 N -2.48 2.63 -2.51 3.86 0.00 -0.76 -4.80 120.51 116.45 3h58 n ALA 57 Ca -0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3h58 n ALA 57 Cb 0.32 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3h58 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h58 s SER 58 N -2.85 6.52 0.24 0.00 0.15 -0.83 -4.89 113.70 112.04 3h58 s SER 58 Ca 0.18 0.58 -0.03 0.00 0.70 0.00 0.00 55.95 57.38 3h58 s SER 58 Cb 0.19 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.23 3h58 s SER 58 CO 0.54 -1.33 1.72 -0.08 1.20 0.00 0.00 173.24 175.29 3h58 h GLU 59 N 9.77 0.80 -0.46 5.44 4.57 -1.88 -2.16 114.58 130.66 3h58 h GLU 59 Ca -0.25 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3h58 h GLU 59 Cb 1.08 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 3h58 h GLU 59 CO 1.12 0.85 -0.11 -0.44 -1.18 0.00 0.00 179.01 179.24 3h58 h ASP 60 N 0.74 0.83 -0.18 1.04 3.32 -1.96 -1.54 116.42 118.66 3h58 h ASP 60 Ca 0.13 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 3h58 h ASP 60 Cb 0.53 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3h58 h ASP 60 CO 0.03 0.96 -0.24 0.25 -1.72 0.00 0.00 179.24 178.52 3h58 h LEU 61 N 0.75 0.64 -0.59 1.55 5.85 -1.83 -1.42 115.31 120.27 3h58 h LEU 61 Ca 0.12 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3h58 h LEU 61 Cb 0.61 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3h58 h LEU 61 CO 0.04 0.87 0.21 0.50 -0.34 0.00 0.00 178.44 179.72 3h58 h LYS 62 N 0.56 0.90 -0.80 1.25 3.64 -1.03 -0.63 116.57 120.46 3h58 h LYS 62 Ca 0.08 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3h58 h LYS 62 Cb 0.71 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3h58 h LYS 62 CO 0.05 0.79 0.37 0.87 -2.27 0.00 0.00 179.45 179.26 3h58 h LYS 63 N 0.83 1.16 -0.79 1.90 1.79 -0.99 -1.64 116.57 118.84 3h58 h LYS 63 Ca 0.19 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3h58 h LYS 63 Cb 0.24 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 3h58 h LYS 63 CO -0.01 0.91 0.31 1.25 -1.08 0.00 0.00 179.45 180.83 3h58 h LEU 64 N 1.14 1.08 -0.67 2.94 5.85 -0.85 -1.54 115.31 123.26 3h58 h LEU 64 Ca 0.27 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3h58 h LEU 64 Cb 0.15 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3h58 h LEU 64 CO -0.03 0.96 0.16 1.23 -0.34 0.00 0.00 178.44 180.41 3h58 h GLY 65 N 1.16 1.16 0.96 3.75 0.00 -0.57 -0.33 103.07 109.20 3h58 h GLY 65 Ca 0.26 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3h58 h GLY 65 CO -0.02 0.68 0.17 -2.08 0.00 0.00 0.00 176.54 175.30 3h58 h VAL 66 N 1.01 1.21 -0.73 4.60 2.07 -0.98 -1.14 116.25 122.29 3h58 h VAL 66 Ca 0.21 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3h58 h VAL 66 Cb 0.37 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3h58 h VAL 66 CO 0.00 0.25 0.32 0.74 0.02 0.00 0.00 177.57 178.90 3h58 h THR 67 N 0.61 1.25 0.18 2.57 2.02 -1.02 -0.56 112.91 117.95 3h58 h THR 67 Ca 0.15 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3h58 h THR 67 Cb 0.22 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3h58 h THR 67 CO -0.01 0.30 -0.08 -1.13 0.37 0.00 0.00 175.52 174.97 3h58 h ASN 68 N 1.04 -0.20 0.58 4.18 -0.73 -0.82 -2.30 115.58 117.34 3h58 h ASN 68 Ca 0.25 -0.13 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 3h58 h ASN 68 Cb 0.17 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 3h58 h ASN 68 CO -0.03 0.01 -0.43 -0.07 -0.37 0.00 0.00 177.43 176.54 3h58 h LEU 69 N -0.40 0.00 -0.37 0.34 3.38 -1.13 -1.92 115.31 115.21 3h58 h LEU 69 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3h58 h LEU 69 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h58 h LEU 69 CO 0.04 0.43 -0.48 0.74 0.09 0.00 0.00 178.44 179.27 3h58 h THR 70 N 0.00 1.28 -0.59 0.22 2.02 -1.07 0.90 112.91 115.67 3h58 h THR 70 Ca -0.00 -1.66 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 3h58 h THR 70 Cb 0.84 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3h58 h THR 70 CO 0.06 0.54 0.03 0.00 0.37 0.00 0.00 175.52 176.52 3h58 h ALA 71 N 0.76 0.79 -0.54 6.16 0.00 -1.24 -1.85 119.26 123.35 3h58 h ALA 71 Ca 0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3h58 h ALA 71 Cb 1.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3h58 h ALA 71 CO 0.11 0.61 -0.11 1.25 0.00 0.00 0.00 179.25 181.11 3h58 h LEU 72 N 0.92 1.03 -0.74 0.00 5.85 -1.20 -2.61 115.31 118.55 3h58 h LEU 72 Ca 0.17 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3h58 h LEU 72 Cb 0.52 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3h58 h LEU 72 CO 0.03 1.13 0.42 1.23 -0.34 0.00 0.00 178.44 180.91 3h58 h GLY 73 N 0.94 1.10 1.02 3.75 0.00 -0.61 -0.16 103.07 109.11 3h58 h GLY 73 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3h58 h GLY 73 CO 0.05 0.47 0.55 0.00 0.00 0.00 0.00 176.54 177.60 3h58 h ALA 74 N 1.22 1.18 -0.07 3.60 0.00 -1.18 -0.63 119.26 123.37 3h58 h ALA 74 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3h58 h ALA 74 Cb 0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3h58 h ALA 74 CO -0.04 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.67 3h58 h ILE 75 N 1.28 1.23 -0.97 0.00 2.04 -1.04 -2.97 117.51 117.08 3h58 h ILE 75 Ca 0.33 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3h58 h ILE 75 Cb -0.04 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3h58 h ILE 75 CO -0.06 0.20 0.64 -0.07 0.00 0.00 0.00 178.15 178.86 3h58 h LEU 76 N -0.14 1.08 -1.96 1.44 3.38 -0.74 -1.62 115.31 116.75 3h58 h LEU 76 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h58 h LEU 76 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h58 h LEU 76 CO 0.00 0.76 0.00 0.11 0.09 0.00 0.00 178.44 179.40 3h58 h LYS 77 N 1.26 0.00 0.00 1.13 1.57 -1.03 -1.08 116.57 118.43 3h58 h LYS 77 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3h58 h LYS 77 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3h58 h LYS 77 CO -0.11 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.40 3h58 n LYS 78 N -2.95 0.21 -4.03 3.15 4.76 -0.61 -4.93 118.16 113.76 3h58 n LYS 78 Ca -0.01 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 3h58 n LYS 78 Cb 0.19 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 3h58 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3h58 n LYS 79 N -1.39 -3.30 0.00 1.97 5.02 -0.41 -1.55 118.16 118.49 3h58 n LYS 79 Ca 0.10 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3h58 n LYS 79 Cb 0.28 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 3h58 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h58 n GLY 80 N -1.85 3.30 2.52 0.72 0.00 -1.26 -4.94 105.19 103.68 3h58 n GLY 80 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3h58 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h58 n HIS 81 N -1.33 2.56 -1.08 1.61 8.25 -0.60 -4.62 115.22 120.00 3h58 n HIS 81 Ca 0.00 -2.69 0.03 0.00 -0.26 0.00 0.00 57.72 54.81 3h58 n HIS 81 Cb 0.00 -1.65 0.27 0.00 1.12 0.00 0.00 29.99 29.72 3h58 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3h58 n HIS 82 N 1.24 1.33 -0.29 4.41 1.44 -1.26 -4.72 115.22 117.38 3h58 n HIS 82 Ca 0.58 -1.06 0.02 0.00 -2.01 0.00 0.00 57.72 55.25 3h58 n HIS 82 Cb 0.27 -0.43 0.15 0.00 0.12 0.00 0.00 29.99 30.10 3h58 n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 3h58 h GLU 83 N 1.96 0.78 -0.34 -1.40 9.09 -2.00 -0.79 114.58 121.89 3h58 h GLU 83 Ca 0.09 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.42 3h58 h GLU 83 Cb 1.69 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 28.60 3h58 h GLU 83 CO 0.37 0.52 0.06 0.00 0.05 0.00 0.00 179.01 180.01 3h58 h ALA 84 N 1.43 0.45 -0.30 1.06 0.00 -2.00 -3.03 119.26 116.86 3h58 h ALA 84 Ca 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h58 h ALA 84 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h58 h ALA 84 CO -0.22 0.14 -0.08 0.93 0.00 0.00 0.00 179.25 180.02 3h58 h GLU 85 N 0.39 0.49 0.00 0.00 3.07 -1.81 -3.02 114.58 113.70 3h58 h GLU 85 Ca 0.10 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3h58 h GLU 85 Cb 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3h58 h GLU 85 CO 0.01 0.58 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.91 3h58 h LEU 86 N 0.46 0.00 0.87 1.33 4.07 -1.04 -3.32 115.31 117.69 3h58 h LEU 86 Ca 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 3h58 h LEU 86 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3h58 h LEU 86 CO 0.02 0.22 -0.49 0.11 -1.08 0.00 0.00 178.44 177.22 3h58 h LYS 87 N 0.00 -1.22 -0.26 1.13 1.57 -1.42 0.14 116.57 116.51 3h58 h LYS 87 Ca -0.00 0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3h58 h LYS 87 Cb 0.78 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3h58 h LYS 87 CO 0.03 -0.81 -0.15 -1.00 -0.57 0.00 0.00 179.45 176.95 3h58 h PRO 88 N -1.27 0.45 -0.14 3.15 0.13 -1.75 -1.40 132.00 131.17 3h58 h PRO 88 Ca -0.12 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3h58 h PRO 88 Cb 1.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3h58 h PRO 88 CO 0.15 0.60 -0.00 1.25 -0.23 0.00 0.00 178.00 179.76 3h58 h LEU 89 N 0.42 0.25 -0.64 1.56 5.85 -1.64 -1.78 115.31 119.33 3h58 h LEU 89 Ca 0.08 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3h58 h LEU 89 Cb 0.51 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3h58 h LEU 89 CO 0.03 0.50 0.23 0.00 -0.34 0.00 0.00 178.44 178.86 3h58 h ALA 90 N 0.76 0.83 -0.02 1.25 0.00 -0.61 -1.79 119.26 119.68 3h58 h ALA 90 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h58 h ALA 90 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h58 h ALA 90 CO 0.01 0.47 0.01 0.37 0.00 0.00 0.00 179.25 180.10 3h58 h GLN 91 N 0.90 0.03 -0.40 0.00 4.15 -1.18 -0.60 115.11 118.01 3h58 h GLN 91 Ca 0.21 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 3h58 h GLN 91 Cb 0.24 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3h58 h GLN 91 CO -0.01 0.17 0.14 0.66 -1.93 0.00 0.00 178.83 177.85 3h58 h SER 92 N -0.12 0.58 1.05 -0.69 4.64 -1.28 -0.64 113.55 117.08 3h58 h SER 92 Ca 0.01 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3h58 h SER 92 Cb 0.15 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h58 h SER 92 CO -0.00 0.62 -0.24 0.45 -0.87 0.00 0.00 176.83 176.79 3h58 h HIS 93 N 0.51 0.00 0.06 4.77 3.86 -1.30 0.11 115.15 123.16 3h58 h HIS 93 Ca 0.13 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.12 3h58 h HIS 93 Cb 0.24 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3h58 h HIS 93 CO 0.01 0.24 -1.19 0.00 0.86 0.00 0.00 177.93 177.85 3h58 h ALA 94 N 1.76 0.20 0.05 2.45 0.00 -0.99 0.34 119.26 123.07 3h58 h ALA 94 Ca -0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 54.91 53.50 3h58 h ALA 94 Cb 0.83 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3h58 h ALA 94 CO 0.03 0.69 -2.01 2.41 0.00 0.00 0.00 179.25 180.37 3h58 n THR 95 N -4.18 1.63 -0.09 0.00 -1.04 -0.26 -3.76 114.28 106.58 3h58 n THR 95 Ca -0.26 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.05 60.89 3h58 n THR 95 Cb 0.77 -1.28 -0.06 0.00 -1.82 0.00 0.00 70.33 67.94 3h58 n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3h58 n LYS 96 N -3.20 0.52 0.12 -2.82 4.81 0.17 -4.63 118.16 113.12 3h58 n LYS 96 Ca -0.29 0.43 0.03 0.00 -0.87 0.00 0.00 58.31 57.62 3h58 n LYS 96 Cb 1.06 -1.62 0.01 0.00 0.02 0.00 0.00 35.03 34.50 3h58 n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3h58 h HIS 97 N -1.00 0.00 -5.67 5.64 3.86 -1.09 -3.49 115.15 113.40 3h58 h HIS 97 Ca -0.20 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.71 3h58 h HIS 97 Cb 0.99 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.63 3h58 h HIS 97 CO -0.17 0.44 -0.88 1.63 0.86 0.00 0.00 177.93 179.82 3h58 n LYS 98 N -3.10 -2.12 -3.44 2.45 4.01 -0.49 -4.97 118.16 110.50 3h58 n LYS 98 Ca -0.01 0.76 -0.43 0.00 -0.51 0.00 0.00 58.31 58.12 3h58 n LYS 98 Cb 0.73 -5.38 -0.10 0.00 -0.51 0.00 0.00 35.03 29.78 3h58 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3h58 s ILE 99 N -3.41 5.25 0.67 -0.18 -1.09 0.11 -5.01 121.20 117.53 3h58 s ILE 99 Ca 0.45 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 3h58 s ILE 99 Cb -0.09 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3h58 s ILE 99 CO 0.77 -0.35 1.15 -2.16 -1.23 0.00 0.00 174.94 173.12 3h58 s PRO 100 N 1.69 2.66 0.37 2.79 0.04 -1.26 -4.78 135.00 136.51 3h58 s PRO 100 Ca 0.05 1.56 0.10 0.00 0.04 0.00 0.00 61.00 62.75 3h58 s PRO 100 Cb -0.20 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.28 3h58 s PRO 100 CO 0.10 -1.39 1.88 0.82 0.04 0.00 0.00 177.00 178.45 3h58 h ILE 101 N 0.10 0.83 -0.85 0.56 1.08 -1.94 0.97 117.51 118.26 3h58 h ILE 101 Ca -0.48 -0.22 0.12 0.00 -0.39 0.00 0.00 64.86 63.89 3h58 h ILE 101 Cb 1.27 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 35.08 3h58 h ILE 101 CO 0.53 0.12 0.55 0.50 -0.69 0.00 0.00 178.15 179.16 3h58 h LYS 102 N 0.65 0.72 0.00 2.37 1.63 -1.91 0.60 116.57 120.62 3h58 h LYS 102 Ca 0.43 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 60.07 3h58 h LYS 102 Cb 0.73 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3h58 h LYS 102 CO -0.19 0.48 -0.56 1.88 -3.45 0.00 0.00 179.45 177.60 3h58 h TYR 103 N 0.74 0.00 0.00 1.91 -1.99 -1.16 -1.39 116.97 115.09 3h58 h TYR 103 Ca 0.41 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.02 3h58 h TYR 103 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 3h58 h TYR 103 CO -0.00 0.56 -0.57 -0.07 -0.00 0.00 0.00 178.16 178.08 3h58 h LEU 104 N 0.00 0.00 -0.32 3.88 3.38 -0.72 -1.43 115.31 120.10 3h58 h LEU 104 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3h58 h LEU 104 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3h58 h LEU 104 CO 0.07 0.57 -0.38 -0.33 0.09 0.00 0.00 178.44 178.47 3h58 h GLU 105 N 0.00 0.82 -0.53 1.13 5.08 -0.67 -1.51 114.58 118.90 3h58 h GLU 105 Ca -0.01 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3h58 h GLU 105 Cb 1.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3h58 h GLU 105 CO 0.07 1.09 0.34 0.74 -1.00 0.00 0.00 179.01 180.25 3h58 h PHE 106 N 0.59 0.65 0.00 4.33 0.04 -0.87 -0.31 116.94 121.38 3h58 h PHE 106 Ca 0.04 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3h58 h PHE 106 Cb 0.97 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 3h58 h PHE 106 CO 0.07 0.40 -0.47 0.97 -0.60 0.00 0.00 178.31 178.68 3h58 h ILE 107 N 0.70 1.20 -0.59 -0.55 2.10 -1.22 -1.71 117.51 117.44 3h58 h ILE 107 Ca 0.20 -1.68 -0.09 0.00 1.08 0.00 0.00 64.86 64.37 3h58 h ILE 107 Cb -0.06 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.59 3h58 h ILE 107 CO -0.05 0.46 0.02 0.28 -1.08 0.00 0.00 178.15 177.78 3h58 h SER 108 N 0.00 0.98 -0.74 2.19 0.02 -0.58 -0.26 113.55 115.16 3h58 h SER 108 Ca -0.00 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3h58 h SER 108 Cb 0.91 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3h58 h SER 108 CO 0.06 1.02 0.22 -0.08 -1.14 0.00 0.00 176.83 176.91 3h58 h GLU 109 N 0.93 1.16 -0.54 3.45 4.81 -0.58 -1.85 114.58 121.97 3h58 h GLU 109 Ca 0.17 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 3h58 h GLU 109 Cb 0.51 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3h58 h GLU 109 CO 0.02 1.00 -0.05 0.00 -0.73 0.00 0.00 179.01 179.25 3h58 h ALA 110 N 1.12 0.88 -0.33 2.92 0.00 -0.81 -0.78 119.26 122.27 3h58 h ALA 110 Ca 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h58 h ALA 110 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h58 h ALA 110 CO -0.00 0.65 0.13 0.82 0.00 0.00 0.00 179.25 180.84 3h58 h ILE 111 N 0.88 1.18 -0.71 0.00 2.04 -0.79 -1.46 117.51 118.65 3h58 h ILE 111 Ca 0.15 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3h58 h ILE 111 Cb 0.59 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3h58 h ILE 111 CO 0.04 0.20 0.31 0.40 0.00 0.00 0.00 178.15 179.09 3h58 h ILE 112 N 0.38 1.24 -0.16 -0.67 1.08 -1.16 -1.32 117.51 116.90 3h58 h ILE 112 Ca 0.11 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3h58 h ILE 112 Cb 0.18 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3h58 h ILE 112 CO -0.01 0.29 0.09 -0.74 -0.69 0.00 0.00 178.15 177.10 3h58 h HIS 113 N 1.00 0.22 -0.53 1.37 2.76 -0.89 -0.79 115.15 118.29 3h58 h HIS 113 Ca 0.24 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 3h58 h HIS 113 Cb 0.17 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3h58 h HIS 113 CO 0.01 0.21 0.06 0.28 -1.30 0.00 0.00 177.93 177.19 3h58 h VAL 114 N 0.17 1.26 -0.54 5.26 2.07 -1.12 -1.38 116.25 121.96 3h58 h VAL 114 Ca 0.06 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 3h58 h VAL 114 Cb 0.06 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3h58 h VAL 114 CO -0.01 0.35 -0.01 -0.07 0.02 0.00 0.00 177.57 177.86 3h58 h LEU 115 N 0.77 0.89 -0.93 2.57 3.38 -1.16 0.55 115.31 121.38 3h58 h LEU 115 Ca 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3h58 h LEU 115 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3h58 h LEU 115 CO 0.01 0.95 0.30 -0.74 0.09 0.00 0.00 178.44 179.06 3h58 h HIS 116 N 0.85 1.09 -0.04 1.13 2.76 -0.93 0.38 115.15 120.38 3h58 h HIS 116 Ca 0.16 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3h58 h HIS 116 Cb 0.51 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3h58 h HIS 116 CO 0.03 0.82 -0.18 0.77 -1.30 0.00 0.00 177.93 178.07 3h58 h SER 117 N 1.06 0.23 1.29 3.26 0.02 -0.82 -3.29 113.55 115.30 3h58 h SER 117 Ca 0.25 -0.65 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 3h58 h SER 117 Cb 0.19 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3h58 h SER 117 CO -0.02 0.84 -0.74 0.03 -1.14 0.00 0.00 176.83 175.80 3h58 h ARG 118 N -0.37 0.00 -1.57 3.45 3.08 -0.86 -3.40 114.38 114.72 3h58 h ARG 118 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 3h58 h ARG 118 Cb 0.83 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.47 3h58 h ARG 118 CO 0.04 0.38 -0.98 0.72 -1.07 0.00 0.00 179.97 179.06 3h58 n HIS 119 N -3.09 2.06 -0.33 3.04 8.25 0.12 -4.94 115.22 120.33 3h58 n HIS 119 Ca -0.01 -3.30 0.10 0.00 -0.26 0.00 0.00 57.72 54.26 3h58 n HIS 119 Cb 0.74 -0.32 0.28 0.00 1.12 0.00 0.00 29.99 31.80 3h58 n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3h58 h PRO 120 N 2.88 0.70 -0.42 -0.41 0.13 -1.72 0.24 132.00 133.40 3h58 h PRO 120 Ca 0.09 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.10 3h58 h PRO 120 Cb 0.95 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 3h58 h PRO 120 CO 0.65 0.47 -0.05 0.78 -0.23 0.00 0.00 178.00 179.62 3h58 h GLY 121 N 0.73 0.77 -2.23 1.56 0.00 -1.92 -3.03 103.07 98.95 3h58 h GLY 121 Ca 0.53 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h58 h GLY 121 CO -0.37 0.49 0.00 0.70 0.00 0.00 0.00 176.54 177.36 3h58 n ASN 122 N -4.20 3.62 -2.91 0.19 3.02 -0.66 -4.45 115.26 109.87 3h58 n ASN 122 Ca 0.02 -2.00 -0.17 0.00 -0.03 0.00 0.00 54.58 52.40 3h58 n ASN 122 Cb 0.32 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 3h58 n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3h58 n PHE 123 N 1.28 1.29 -0.86 3.10 7.35 0.76 -4.60 117.46 125.79 3h58 n PHE 123 Ca 0.20 -3.41 0.00 0.00 -0.76 0.00 0.00 57.45 53.48 3h58 n PHE 123 Cb 0.56 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 40.01 3h58 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h58 n GLY 124 N 0.02 -1.46 0.15 7.13 0.00 -1.23 -4.59 105.19 105.22 3h58 n GLY 124 Ca 0.21 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3h58 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h58 h ALA 125 N -2.00 -0.02 -0.69 4.61 0.00 -1.98 -0.25 119.26 118.92 3h58 h ALA 125 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3h58 h ALA 125 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3h58 h ALA 125 CO 0.00 -0.56 0.34 -0.44 0.00 0.00 0.00 179.25 178.59 3h58 h ASP 126 N -0.13 0.89 -0.59 0.00 3.32 -1.99 -0.92 116.42 116.99 3h58 h ASP 126 Ca 0.07 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3h58 h ASP 126 Cb 0.23 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3h58 h ASP 126 CO -0.18 0.76 0.19 0.00 -1.72 0.00 0.00 179.24 178.30 3h58 h ALA 127 N 1.16 0.78 -0.64 3.45 0.00 -1.83 -1.19 119.26 120.99 3h58 h ALA 127 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3h58 h ALA 127 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h58 h ALA 127 CO -0.03 0.44 0.14 0.37 0.00 0.00 0.00 179.25 180.16 3h58 h GLN 128 N 0.84 1.02 -0.82 0.00 4.15 -0.79 -0.91 115.11 118.60 3h58 h GLN 128 Ca 0.19 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 3h58 h GLN 128 Cb 0.27 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3h58 h GLN 128 CO -0.01 0.92 0.38 0.78 -1.93 0.00 0.00 178.83 178.97 3h58 h GLY 129 N 1.05 1.27 0.90 2.39 0.00 -0.79 0.10 103.07 108.00 3h58 h GLY 129 Ca 0.20 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3h58 h GLY 129 CO 0.00 0.61 0.06 0.00 0.00 0.00 0.00 176.54 177.22 3h58 h ALA 130 N 1.24 0.43 -0.68 3.60 0.00 -0.71 -0.71 119.26 122.43 3h58 h ALA 130 Ca 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h58 h ALA 130 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3h58 h ALA 130 CO -0.03 0.12 0.23 1.98 0.00 0.00 0.00 179.25 181.55 3h58 h MET 131 N 0.37 1.04 -0.83 0.00 -1.53 -0.86 -0.35 114.93 112.77 3h58 h MET 131 Ca 0.10 -0.21 -0.04 0.00 -3.44 0.00 0.00 59.70 56.11 3h58 h MET 131 Cb 0.33 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 31.19 3h58 h MET 131 CO 0.00 0.89 0.37 -0.97 0.14 0.00 0.00 176.91 177.35 3h58 h ASN 132 N 0.98 1.11 -0.75 1.39 -1.24 -0.62 -0.02 115.58 116.43 3h58 h ASN 132 Ca 0.22 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 3h58 h ASN 132 Cb 0.27 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 3h58 h ASN 132 CO -0.01 0.95 0.28 0.50 -1.29 0.00 0.00 177.43 177.85 3h58 h LYS 133 N 1.19 1.14 -0.57 6.67 3.64 -0.59 0.96 116.57 129.01 3h58 h LYS 133 Ca 0.28 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3h58 h LYS 133 Cb 0.16 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3h58 h LYS 133 CO -0.03 0.95 -0.04 0.00 -2.27 0.00 0.00 179.45 178.06 3h58 h ALA 134 N 1.14 0.77 -0.01 5.00 0.00 -0.52 -1.75 119.26 123.89 3h58 h ALA 134 Ca 0.25 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3h58 h ALA 134 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h58 h ALA 134 CO -0.02 0.64 -0.66 -0.07 0.00 0.00 0.00 179.25 179.14 3h58 h LEU 135 N 0.92 0.06 -0.75 0.00 3.38 -0.71 -1.80 115.31 116.41 3h58 h LEU 135 Ca 0.16 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3h58 h LEU 135 Cb 0.60 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3h58 h LEU 135 CO 0.04 0.70 -0.40 -0.33 0.09 0.00 0.00 178.44 178.54 3h58 h GLU 136 N 0.03 0.48 -0.32 1.13 5.08 -0.61 -0.29 114.58 120.08 3h58 h GLU 136 Ca -0.01 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3h58 h GLU 136 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3h58 h GLU 136 CO 0.09 0.80 -0.10 1.25 -1.00 0.00 0.00 179.01 180.05 3h58 h LEU 137 N 0.40 0.64 -0.09 1.33 5.85 -1.14 0.18 115.31 122.48 3h58 h LEU 137 Ca 0.04 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.40 3h58 h LEU 137 Cb 0.87 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3h58 h LEU 137 CO 0.07 0.87 -0.05 0.15 -0.34 0.00 0.00 178.44 179.15 3h58 h PHE 138 N 0.40 -0.11 -0.26 1.25 3.57 -1.10 -0.65 116.94 120.05 3h58 h PHE 138 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3h58 h PHE 138 Cb 0.61 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3h58 h PHE 138 CO 0.05 -0.08 -0.17 0.00 -2.23 0.00 0.00 178.31 175.89 3h58 h ARG 139 N -0.04 0.45 -0.10 1.11 3.08 -0.95 0.55 114.38 118.48 3h58 h ARG 139 Ca 0.05 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3h58 h ARG 139 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3h58 h ARG 139 CO -0.12 0.61 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.16 3h58 h LYS 140 N 0.41 0.18 -0.41 0.04 3.64 -0.56 0.41 116.57 120.29 3h58 h LYS 140 Ca 0.07 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3h58 h LYS 140 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3h58 h LYS 140 CO 0.03 0.48 -0.20 -0.44 -2.27 0.00 0.00 179.45 177.05 3h58 h ASP 141 N -0.13 0.80 -0.66 4.20 3.32 -1.00 -1.69 116.42 121.27 3h58 h ASP 141 Ca 0.03 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 3h58 h ASP 141 Cb 0.40 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3h58 h ASP 141 CO 0.01 0.99 0.18 0.40 -1.72 0.00 0.00 179.24 179.10 3h58 h ILE 142 N 0.70 1.25 -0.82 0.35 1.08 -0.83 -1.68 117.51 117.56 3h58 h ILE 142 Ca 0.10 -0.91 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 3h58 h ILE 142 Cb 0.71 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3h58 h ILE 142 CO 0.05 0.35 0.41 0.00 -0.69 0.00 0.00 178.15 178.27 3h58 h ALA 143 N 1.07 1.06 -0.80 1.87 0.00 -0.62 0.61 119.26 122.45 3h58 h ALA 143 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3h58 h ALA 143 Cb 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3h58 h ALA 143 CO -0.00 0.60 0.32 0.00 0.00 0.00 0.00 179.25 180.17 3h58 h ALA 144 N 1.22 1.05 -0.42 0.00 0.00 -0.96 -1.57 119.26 118.58 3h58 h ALA 144 Ca 0.28 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3h58 h ALA 144 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h58 h ALA 144 CO -0.04 0.67 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 3h58 h LYS 145 N 1.16 0.77 -0.39 0.00 1.79 -0.81 -2.04 116.57 117.06 3h58 h LYS 145 Ca 0.27 -0.27 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 3h58 h LYS 145 Cb 0.22 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 3h58 h LYS 145 CO -0.02 0.88 -0.06 1.88 -1.08 0.00 0.00 179.45 181.04 3h58 h TYR 146 N 0.60 -0.14 -0.68 -1.35 -1.99 -0.50 0.67 116.97 113.57 3h58 h TYR 146 Ca 0.11 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.91 3h58 h TYR 146 Cb 0.57 0.12 -0.05 0.00 2.00 0.00 0.00 36.73 39.37 3h58 h TYR 146 CO 0.04 -0.14 0.41 -0.22 -0.00 0.00 0.00 178.16 178.26 3h58 h LYS 147 N 0.03 0.77 -0.48 4.88 3.64 -1.09 -0.56 116.57 123.77 3h58 h LYS 147 Ca 0.19 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3h58 h LYS 147 Cb 0.28 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3h58 h LYS 147 CO -0.37 0.51 0.15 0.93 -2.27 0.00 0.00 179.45 178.40 3h58 h GLU 148 N 0.80 0.70 0.00 1.90 5.08 -0.56 -1.96 114.58 120.55 3h58 h GLU 148 Ca 0.28 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3h58 h GLU 148 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3h58 h GLU 148 CO -0.12 0.61 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 3h58 n LEU 149 N -4.32 0.08 0.00 1.33 4.77 0.13 -4.92 117.00 114.07 3h58 n LEU 149 Ca 0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3h58 n LEU 149 Cb 0.18 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3h58 n LEU 149 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3h58 n GLY 150 N 1.32 0.78 0.57 -0.72 0.00 -0.39 -5.00 105.19 101.75 3h58 n GLY 150 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 3h58 n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h58 n TYR 151 N -2.37 0.00 -3.14 1.61 9.36 -0.36 -5.00 117.16 117.26 3h58 n TYR 151 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 3h58 n TYR 151 Cb 0.00 -0.05 0.03 0.00 -0.63 0.00 0.00 39.34 38.70 3h58 n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3h58 n GLN 152 N -2.79 -1.61 0.00 2.98 -0.06 -1.17 -4.87 117.38 109.86 3h58 n GLN 152 Ca -0.01 1.20 0.00 0.00 -2.00 0.00 0.00 57.00 56.19 3h58 n GLN 152 Cb 0.05 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 24.55 3h58 n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27