#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1x s VAL 1 N 0.00 -0.19 0.35 3.17 1.01 -1.26 -5.05 120.40 118.43 1h1x s VAL 1 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1h1x s VAL 1 Cb 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1h1x s VAL 1 CO 0.00 0.08 0.86 -0.76 0.00 0.00 0.00 175.10 175.28 1h1x s LEU 2 N 1.73 4.09 0.69 3.92 1.02 -1.26 -5.06 118.68 123.81 1h1x s LEU 2 Ca -0.05 1.56 -0.11 0.00 0.02 0.00 0.00 54.13 55.54 1h1x s LEU 2 Cb -0.11 -4.19 0.00 0.00 0.02 0.00 0.00 46.19 41.91 1h1x s LEU 2 CO -0.09 -0.21 1.06 -0.94 0.02 0.00 0.00 176.35 176.19 1h1x s SER 3 N -2.05 5.58 0.28 2.29 1.04 -1.26 -4.90 113.70 114.67 1h1x s SER 3 Ca 0.55 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 58.35 1h1x s SER 3 Cb -0.12 -2.28 0.45 0.00 0.10 0.00 0.00 66.02 64.17 1h1x s SER 3 CO 0.17 -1.29 1.88 -0.08 0.98 0.00 0.00 173.24 174.91 1h1x h GLU 4 N -0.61 1.09 -0.92 4.02 4.57 -1.99 -1.03 114.58 119.70 1h1x h GLU 4 Ca -0.45 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1h1x h GLU 4 Cb 1.22 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 1h1x h GLU 4 CO 0.61 0.72 0.55 0.78 -1.18 0.00 0.00 179.01 180.49 1h1x h GLY 5 N 1.13 1.34 0.98 1.92 0.00 -1.99 0.28 103.07 106.74 1h1x h GLY 5 Ca 0.43 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1h1x h GLY 5 CO -0.18 0.55 0.11 0.83 0.00 0.00 0.00 176.54 177.85 1h1x h GLU 6 N 1.27 0.82 -0.98 4.80 5.08 -1.76 -2.14 114.58 121.68 1h1x h GLU 6 Ca 0.33 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1h1x h GLU 6 Cb -0.04 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1h1x h GLU 6 CO -0.06 0.80 0.64 -1.49 -1.00 0.00 0.00 179.01 177.90 1h1x h TRP 7 N 0.71 1.23 -0.16 4.33 4.06 -0.71 -1.68 115.95 123.74 1h1x h TRP 7 Ca 0.16 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.06 1h1x h TRP 7 Cb 0.35 -0.42 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1h1x h TRP 7 CO 0.02 0.78 -0.23 1.96 -3.56 0.00 0.00 178.44 177.41 1h1x h GLN 8 N 1.33 0.28 -0.58 0.49 1.08 -0.63 0.16 115.11 117.24 1h1x h GLN 8 Ca 0.36 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 1h1x h GLN 8 Cb -0.15 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 1h1x h GLN 8 CO -0.08 0.51 0.05 -0.07 -0.95 0.00 0.00 178.83 178.29 1h1x h LEU 9 N 0.26 0.93 -0.23 1.46 3.38 -0.70 0.19 115.31 120.59 1h1x h LEU 9 Ca 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1h1x h LEU 9 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1h1x h LEU 9 CO 0.04 0.96 0.10 0.58 0.09 0.00 0.00 178.44 180.21 1h1x h VAL 10 N 0.90 1.15 0.00 1.22 2.07 -0.69 -2.89 116.25 118.02 1h1x h VAL 10 Ca 0.18 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1h1x h VAL 10 Cb 0.45 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1h1x h VAL 10 CO 0.02 0.15 -0.23 -0.07 0.02 0.00 0.00 177.57 177.45 1h1x h LEU 11 N 0.23 0.00 -0.32 2.57 3.38 -0.76 -1.76 115.31 118.64 1h1x h LEU 11 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1h1x h LEU 11 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h1x h LEU 11 CO -0.01 0.23 -0.79 0.45 0.09 0.00 0.00 178.44 178.42 1h1x h HIS 12 N 0.00 0.61 -0.05 1.13 3.86 -0.88 -0.92 115.15 118.89 1h1x h HIS 12 Ca -0.00 -0.28 -0.20 0.00 -1.16 0.00 0.00 60.37 58.73 1h1x h HIS 12 Cb 0.94 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1h1x h HIS 12 CO 0.00 1.06 -0.80 -0.24 0.86 0.00 0.00 177.93 178.82 1h1x h VAL 13 N 0.29 1.39 -0.17 2.45 3.04 -1.40 -3.11 116.25 118.74 1h1x h VAL 13 Ca -0.04 -2.25 -0.03 0.00 -1.01 0.00 0.00 66.70 63.36 1h1x h VAL 13 Cb 1.38 2.22 -0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1h1x h VAL 13 CO 0.14 0.67 -0.04 -0.25 -1.01 0.00 0.00 177.57 177.08 1h1x h TRP 14 N 0.26 0.25 -0.11 3.17 2.91 -1.12 -0.56 115.95 120.75 1h1x h TRP 14 Ca -0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1h1x h TRP 14 Cb 1.39 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.96 1h1x h TRP 14 CO 0.05 0.30 0.07 0.00 -1.03 0.00 0.00 178.44 177.83 1h1x h ALA 15 N 1.72 1.94 0.08 2.65 0.00 -1.10 -1.28 119.26 123.27 1h1x h ALA 15 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1h1x h ALA 15 Cb 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1h1x h ALA 15 CO 0.01 0.05 -1.16 0.87 0.00 0.00 0.00 179.25 179.02 1h1x h LYS 16 N 0.13 0.56 -0.86 0.00 1.79 -1.17 -3.12 116.57 113.90 1h1x h LYS 16 Ca 0.04 -0.71 0.16 0.00 -2.18 0.00 0.00 60.65 57.96 1h1x h LYS 16 Cb 0.00 0.23 -0.10 0.00 -1.58 0.00 0.00 32.23 30.78 1h1x h LYS 16 CO -0.01 1.31 0.43 0.28 -1.08 0.00 0.00 179.45 180.38 1h1x h VAL 17 N 0.27 0.68 0.00 0.50 2.07 -0.81 -1.60 116.25 117.35 1h1x h VAL 17 Ca -0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1h1x h VAL 17 Cb 1.83 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1h1x h VAL 17 CO 0.22 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 1h1x n GLU 18 N -4.90 0.16 0.22 1.57 1.02 -0.54 -1.60 120.64 116.56 1h1x n GLU 18 Ca 0.18 0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.54 1h1x n GLU 18 Cb 0.48 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.96 1h1x n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h1x h ALA 19 N 2.73 1.84 -0.68 0.62 0.00 -1.30 -3.38 119.26 119.09 1h1x h ALA 19 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1h1x h ALA 19 Cb 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 1h1x h ALA 19 CO 0.00 0.12 -0.55 -3.47 0.00 0.00 0.00 179.25 175.36 1h1x n ASP 20 N -4.44 -2.89 -0.00 0.00 2.03 -0.63 -5.02 116.55 105.60 1h1x n ASP 20 Ca -0.02 -3.05 -0.01 0.00 0.52 0.00 0.00 54.79 52.23 1h1x n ASP 20 Cb 0.16 1.56 0.28 0.00 -0.72 0.00 0.00 41.12 42.40 1h1x n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1h1x h VAL 21 N 3.95 1.21 -0.43 5.18 3.04 -1.67 -2.49 116.25 125.03 1h1x h VAL 21 Ca -0.02 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.81 1h1x h VAL 21 Cb 1.05 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1h1x h VAL 21 CO 0.19 0.29 0.21 0.00 -1.01 0.00 0.00 177.57 177.25 1h1x h ALA 22 N 1.47 0.56 -0.55 3.17 0.00 -1.91 0.32 119.26 122.32 1h1x h ALA 22 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1h1x h ALA 22 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1h1x h ALA 22 CO 0.01 0.12 -0.03 0.78 0.00 0.00 0.00 179.25 180.13 1h1x h GLY 23 N 0.56 1.06 1.17 0.00 0.00 -1.87 -1.67 103.07 102.31 1h1x h GLY 23 Ca 0.15 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 1h1x h GLY 23 CO -0.02 0.72 0.13 0.45 0.00 0.00 0.00 176.54 177.82 1h1x h HIS 24 N 0.89 1.08 -0.63 5.60 3.86 -1.13 -2.17 115.15 122.65 1h1x h HIS 24 Ca 0.16 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1h1x h HIS 24 Cb 0.57 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1h1x h HIS 24 CO 0.04 0.89 0.14 0.78 0.86 0.00 0.00 177.93 180.64 1h1x h GLY 25 N 1.05 1.11 0.99 2.45 0.00 -0.61 -1.00 103.07 107.06 1h1x h GLY 25 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1h1x h GLY 25 CO 0.01 0.66 0.18 1.46 0.00 0.00 0.00 176.54 178.85 1h1x h GLN 26 N 0.94 0.38 -0.76 4.80 4.20 -1.18 -1.31 115.11 122.18 1h1x h GLN 26 Ca 0.20 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1h1x h GLN 26 Cb 0.39 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1h1x h GLN 26 CO 0.01 0.26 0.29 -0.44 -0.67 0.00 0.00 178.83 178.28 1h1x h ASP 27 N 0.38 1.06 -0.18 1.46 3.32 -1.04 -0.92 116.42 120.49 1h1x h ASP 27 Ca 0.10 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1h1x h ASP 27 Cb -0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 1h1x h ASP 27 CO -0.02 0.95 -0.13 0.40 -1.72 0.00 0.00 179.24 178.72 1h1x h ILE 28 N 1.11 1.32 -0.57 0.35 2.04 -1.01 -0.77 117.51 119.99 1h1x h ILE 28 Ca 0.25 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1h1x h ILE 28 Cb 0.23 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1h1x h ILE 28 CO -0.02 0.37 0.15 -0.07 0.00 0.00 0.00 178.15 178.59 1h1x h LEU 29 N 0.08 0.85 -0.44 1.44 3.38 -1.14 -0.78 115.31 118.70 1h1x h LEU 29 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1h1x h LEU 29 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1h1x h LEU 29 CO 0.03 0.85 0.18 0.40 0.09 0.00 0.00 178.44 180.00 1h1x h ILE 30 N 0.81 1.20 -0.53 1.22 2.04 -1.14 -0.75 117.51 120.37 1h1x h ILE 30 Ca 0.18 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1h1x h ILE 30 Cb 0.32 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1h1x h ILE 30 CO -0.00 0.23 0.31 -0.09 0.00 0.00 0.00 178.15 178.60 1h1x h ARG 31 N 0.57 0.60 -0.19 2.37 9.65 -0.93 -0.03 114.38 126.41 1h1x h ARG 31 Ca 0.15 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1h1x h ARG 31 Cb 0.19 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1h1x h ARG 31 CO -0.01 0.40 0.02 1.25 2.80 0.00 0.00 179.97 184.42 1h1x h LEU 32 N 0.62 -0.04 -0.95 3.80 5.85 -0.79 -0.06 115.31 123.74 1h1x h LEU 32 Ca 0.21 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1h1x h LEU 32 Cb 0.03 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1h1x h LEU 32 CO -0.10 0.01 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.31 1h1x h PHE 33 N 0.09 0.22 -0.01 1.25 0.04 -0.83 -0.39 116.94 117.31 1h1x h PHE 33 Ca 0.09 -0.06 -0.26 0.00 2.80 0.00 0.00 57.97 60.53 1h1x h PHE 33 Cb 0.10 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.22 1h1x h PHE 33 CO -0.16 0.60 -1.02 0.87 -0.60 0.00 0.00 178.31 178.00 1h1x h LYS 34 N 0.16 0.71 0.02 1.51 1.79 -0.86 -2.98 116.57 116.91 1h1x h LYS 34 Ca 0.01 -0.75 -0.21 0.00 -2.18 0.00 0.00 60.65 57.53 1h1x h LYS 34 Cb 0.83 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1h1x h LYS 34 CO 0.06 1.32 -0.95 0.66 -1.08 0.00 0.00 179.45 179.47 1h1x h SER 35 N 0.40 0.18 -2.28 0.86 4.64 -0.86 -3.39 113.55 113.10 1h1x h SER 35 Ca -0.12 -0.16 -0.58 0.00 -0.47 0.00 0.00 61.79 60.45 1h1x h SER 35 Cb 1.67 -0.06 -0.38 0.00 -0.31 0.00 0.00 62.40 63.32 1h1x h SER 35 CO 0.20 1.03 -1.00 1.41 -0.87 0.00 0.00 176.83 177.60 1h1x n HIS 36 N -3.56 -0.62 0.30 4.77 8.25 -0.17 -5.00 115.22 119.20 1h1x n HIS 36 Ca -0.03 -3.41 0.18 0.00 -0.26 0.00 0.00 57.72 54.20 1h1x n HIS 36 Cb 0.87 0.07 1.00 0.00 1.12 0.00 0.00 29.99 33.04 1h1x n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1h1x h PRO 37 N 5.16 0.00 0.00 -0.41 0.11 -1.72 0.34 132.00 135.49 1h1x h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1h1x h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1h1x h PRO 37 CO 0.41 0.00 -0.05 1.05 -0.21 0.00 0.00 178.00 179.20 1h1x h GLU 38 N 0.00 0.00 -0.17 1.05 9.09 -1.92 -2.01 114.58 120.61 1h1x h GLU 38 Ca 0.01 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.35 1h1x h GLU 38 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.21 1h1x h GLU 38 CO -0.00 0.05 -0.24 1.79 0.05 0.00 0.00 179.01 180.66 1h1x h THR 39 N 0.00 1.24 0.00 -1.06 1.35 -1.25 -2.55 112.91 110.64 1h1x h THR 39 Ca -0.00 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 1h1x h THR 39 Cb 0.11 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1h1x h THR 39 CO 0.01 0.35 -0.06 0.25 -0.25 0.00 0.00 175.52 175.82 1h1x h LEU 40 N 0.28 0.00 -1.17 3.87 5.85 -1.52 -1.95 115.31 120.67 1h1x h LEU 40 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1h1x h LEU 40 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1h1x h LEU 40 CO 0.04 0.06 0.00 -0.33 -0.34 0.00 0.00 178.44 177.87 1h1x h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.56 -1.67 114.58 117.68 1h1x h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h1x h GLU 41 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1h1x h GLU 41 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 1h1x n LYS 42 N -2.40 0.19 -3.33 2.33 4.76 -0.73 -4.59 118.16 114.39 1h1x n LYS 42 Ca 0.00 0.22 -0.46 0.00 -2.87 0.00 0.00 58.31 55.21 1h1x n LYS 42 Cb 0.17 -1.75 -0.05 0.00 -1.84 0.00 0.00 35.03 31.55 1h1x n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1h1x s PHE 43 N -3.12 3.28 0.49 2.13 0.40 -0.63 -4.92 117.98 115.61 1h1x s PHE 43 Ca 0.10 -1.36 0.17 0.00 -0.60 0.00 0.00 56.93 55.23 1h1x s PHE 43 Cb 0.13 -3.77 1.20 0.00 0.51 0.00 0.00 43.02 41.09 1h1x s PHE 43 CO 0.53 -1.02 2.07 -0.44 0.70 0.00 0.00 175.22 177.07 1h1x h ASP 44 N 8.82 0.13 1.53 1.36 3.32 -1.85 -0.03 116.42 129.72 1h1x h ASP 44 Ca -0.28 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1h1x h ASP 44 Cb 1.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1h1x h ASP 44 CO 1.02 0.09 -0.35 0.03 -1.72 0.00 0.00 179.24 178.31 1h1x h ARG 45 N 0.15 0.00 -0.00 3.56 3.08 -1.95 -3.37 114.38 115.85 1h1x h ARG 45 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1h1x h ARG 45 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1h1x h ARG 45 CO -0.02 0.35 -0.03 1.19 -1.07 0.00 0.00 179.97 180.39 1h1x n PHE 46 N -3.22 0.00 0.41 3.04 3.72 -0.75 -4.77 117.46 115.90 1h1x n PHE 46 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 1h1x n PHE 46 Cb 0.64 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.55 1h1x n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1h1x n LYS 47 N -0.87 0.07 0.14 -1.08 2.85 -0.10 -1.33 118.16 117.84 1h1x n LYS 47 Ca 0.00 0.35 0.13 0.00 -1.05 0.00 0.00 58.31 57.74 1h1x n LYS 47 Cb 0.01 -1.65 0.43 0.00 -0.65 0.00 0.00 35.03 33.17 1h1x n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1h1x h HIS 48 N 0.00 0.00 -2.94 5.58 2.07 -1.86 -3.46 115.15 114.54 1h1x h HIS 48 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1h1x h HIS 48 Cb 0.26 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.26 1h1x h HIS 48 CO 0.00 0.00 0.78 -0.51 -3.07 0.00 0.00 177.93 175.13 1h1x s LEU 49 N -4.89 4.37 -0.14 6.12 1.43 -0.44 -4.91 118.68 120.21 1h1x s LEU 49 Ca 0.07 2.40 0.19 0.00 -1.03 0.00 0.00 54.13 55.76 1h1x s LEU 49 Cb 0.10 -3.59 -0.27 0.00 0.03 0.00 0.00 46.19 42.46 1h1x s LEU 49 CO 0.54 -0.71 0.20 0.29 0.23 0.00 0.00 176.35 176.90 1h1x n LYS 50 N 4.08 0.73 -4.17 1.70 5.02 -1.26 -5.00 118.16 119.26 1h1x n LYS 50 Ca 0.12 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 1h1x n LYS 50 Cb 0.41 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1h1x n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1h1x s THR 51 N -2.81 0.29 0.32 -0.18 -4.23 -1.26 -5.04 115.64 102.74 1h1x s THR 51 Ca -0.09 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1h1x s THR 51 Cb 0.08 -1.97 0.24 0.00 1.34 0.00 0.00 72.50 72.19 1h1x s THR 51 CO 0.84 -0.56 1.96 -0.08 -0.54 0.00 0.00 174.62 176.23 1h1x h GLU 52 N 2.87 0.91 -0.72 3.99 4.81 -1.98 -1.18 114.58 123.28 1h1x h GLU 52 Ca -0.35 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1h1x h GLU 52 Cb 1.19 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1h1x h GLU 52 CO 0.61 0.64 0.40 0.00 -0.73 0.00 0.00 179.01 179.93 1h1x h ALA 53 N 1.52 0.92 -0.67 2.92 0.00 -1.99 0.14 119.26 122.10 1h1x h ALA 53 Ca 0.24 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1h1x h ALA 53 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1h1x h ALA 53 CO -0.05 0.42 0.10 0.93 0.00 0.00 0.00 179.25 180.65 1h1x h GLU 54 N 0.98 1.12 -0.67 0.00 5.08 -1.81 -1.73 114.58 117.55 1h1x h GLU 54 Ca 0.25 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1h1x h GLU 54 Cb 0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1h1x h GLU 54 CO -0.04 1.03 0.40 0.52 -1.00 0.00 0.00 179.01 179.91 1h1x h MET 55 N 1.04 0.91 -0.20 2.33 2.86 -0.56 -2.34 114.93 118.97 1h1x h MET 55 Ca 0.20 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1h1x h MET 55 Cb 0.46 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1h1x h MET 55 CO 0.02 0.65 -0.13 -0.22 1.06 0.00 0.00 176.91 178.29 1h1x h LYS 56 N 0.91 0.33 -0.00 1.72 1.63 -0.48 -2.60 116.57 118.08 1h1x h LYS 56 Ca 0.24 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1h1x h LYS 56 Cb -0.02 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1h1x h LYS 56 CO -0.04 0.47 -0.14 0.00 -3.45 0.00 0.00 179.45 176.28 1h1x n ALA 57 N -2.48 2.80 -2.59 5.00 0.00 -0.67 -4.81 120.51 117.76 1h1x n ALA 57 Ca -0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 1h1x n ALA 57 Cb 0.29 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1h1x n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h1x s SER 58 N -2.61 6.58 0.24 0.00 0.15 -0.91 -4.89 113.70 112.25 1h1x s SER 58 Ca 0.24 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.17 1h1x s SER 58 Cb 0.20 -2.49 0.24 0.00 -1.71 0.00 0.00 66.02 62.25 1h1x s SER 58 CO 0.51 -1.11 1.81 -0.08 1.20 0.00 0.00 173.24 175.58 1h1x h GLU 59 N 9.04 1.12 -0.57 5.44 4.57 -1.88 -1.89 114.58 130.41 1h1x h GLU 59 Ca -0.23 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 57.68 1h1x h GLU 59 Cb 1.07 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1h1x h GLU 59 CO 1.06 0.90 0.04 -0.44 -1.18 0.00 0.00 179.01 179.39 1h1x h ASP 60 N 1.10 0.90 -0.60 1.04 3.32 -1.97 -0.85 116.42 119.35 1h1x h ASP 60 Ca 0.26 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1h1x h ASP 60 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1h1x h ASP 60 CO -0.02 0.93 0.02 0.25 -1.72 0.00 0.00 179.24 178.70 1h1x h LEU 61 N 0.88 1.03 -0.36 1.55 5.85 -1.82 -1.13 115.31 121.31 1h1x h LEU 61 Ca 0.17 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1h1x h LEU 61 Cb 0.45 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1h1x h LEU 61 CO 0.02 1.07 0.19 0.50 -0.34 0.00 0.00 178.44 179.88 1h1x h LYS 62 N 0.97 0.50 -0.58 1.25 3.64 -0.98 -0.66 116.57 120.72 1h1x h LYS 62 Ca 0.18 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1h1x h LYS 62 Cb 0.53 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1h1x h LYS 62 CO 0.03 0.42 0.18 0.87 -2.27 0.00 0.00 179.45 178.68 1h1x h LYS 63 N 0.45 0.87 -0.23 1.90 1.57 -0.98 -2.01 116.57 118.15 1h1x h LYS 63 Ca 0.13 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1h1x h LYS 63 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1h1x h LYS 63 CO -0.02 0.75 0.11 1.25 -0.57 0.00 0.00 179.45 180.97 1h1x h HIS 64 N 0.85 0.32 -0.49 -1.35 2.76 -0.77 -2.54 115.15 113.92 1h1x h HIS 64 Ca 0.19 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1h1x h HIS 64 Cb 0.25 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1h1x h HIS 64 CO 0.02 0.31 0.33 0.78 -1.30 0.00 0.00 177.93 178.07 1h1x h GLY 65 N 0.24 0.66 1.07 5.26 0.00 -0.72 -0.66 103.07 108.91 1h1x h GLY 65 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1h1x h GLY 65 CO -0.01 0.22 0.23 -2.08 0.00 0.00 0.00 176.54 174.90 1h1x h VAL 66 N 0.60 1.26 -0.37 4.60 2.07 -1.13 -0.96 116.25 122.32 1h1x h VAL 66 Ca 0.19 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1h1x h VAL 66 Cb 0.03 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1h1x h VAL 66 CO -0.05 0.36 0.03 0.03 0.02 0.00 0.00 177.57 177.96 1h1x h ARG 67 N 1.12 0.63 0.03 1.57 3.08 -0.78 -0.87 114.38 119.16 1h1x h ARG 67 Ca 0.24 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1h1x h ARG 67 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1h1x h ARG 67 CO -0.01 0.72 -0.02 0.28 -1.07 0.00 0.00 179.97 179.88 1h1x h VAL 68 N 0.46 1.01 -0.04 2.04 2.07 -0.95 -1.15 116.25 119.69 1h1x h VAL 68 Ca 0.11 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1h1x h VAL 68 Cb 0.42 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1h1x h VAL 68 CO 0.01 0.04 -0.51 -0.07 0.02 0.00 0.00 177.57 177.06 1h1x h LEU 69 N -0.10 0.12 -0.53 2.57 3.38 -1.15 -0.90 115.31 118.70 1h1x h LEU 69 Ca -0.00 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1h1x h LEU 69 Cb 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1h1x h LEU 69 CO 0.01 0.61 -0.35 0.74 0.09 0.00 0.00 178.44 179.54 1h1x h THR 70 N 0.09 1.28 -0.45 0.22 2.02 -1.04 0.81 112.91 115.83 1h1x h THR 70 Ca 0.00 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 65.60 1h1x h THR 70 Cb 0.93 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1h1x h THR 70 CO 0.07 0.50 0.01 0.00 0.37 0.00 0.00 175.52 176.47 1h1x h ALA 71 N 0.92 0.61 -0.47 6.16 0.00 -0.90 -0.99 119.26 124.60 1h1x h ALA 71 Ca 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1h1x h ALA 71 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1h1x h ALA 71 CO 0.08 0.40 0.11 1.25 0.00 0.00 0.00 179.25 181.08 1h1x h LEU 72 N 0.64 0.72 -1.04 0.00 5.85 -1.05 -2.03 115.31 118.40 1h1x h LEU 72 Ca 0.13 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1h1x h LEU 72 Cb 0.48 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1h1x h LEU 72 CO 0.02 0.77 0.65 1.23 -0.34 0.00 0.00 178.44 180.77 1h1x h GLY 73 N 0.63 1.38 1.18 3.75 0.00 -0.64 0.92 103.07 110.29 1h1x h GLY 73 Ca 0.15 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1h1x h GLY 73 CO 0.00 0.49 0.13 0.00 0.00 0.00 0.00 176.54 177.17 1h1x h ALA 74 N 1.39 1.04 0.01 3.60 0.00 -0.90 -0.53 119.26 123.88 1h1x h ALA 74 Ca 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h1x h ALA 74 Cb -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1h1x h ALA 74 CO -0.08 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.61 1h1x h ILE 75 N 0.96 1.10 -0.87 0.00 2.04 -0.63 -2.86 117.51 117.27 1h1x h ILE 75 Ca 0.20 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1h1x h ILE 75 Cb 0.37 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1h1x h ILE 75 CO 0.00 0.09 0.56 -0.07 0.00 0.00 0.00 178.15 178.74 1h1x h LEU 76 N -0.17 1.00 -2.08 1.44 3.38 -0.56 -1.64 115.31 116.68 1h1x h LEU 76 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h1x h LEU 76 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h1x h LEU 76 CO 0.00 0.73 0.00 0.11 0.09 0.00 0.00 178.44 179.38 1h1x h LYS 77 N 1.18 0.00 0.00 1.13 1.57 -0.98 -0.13 116.57 119.33 1h1x h LYS 77 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1h1x h LYS 77 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1h1x h LYS 77 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 1h1x n LYS 78 N -3.00 0.02 -3.87 3.15 4.76 -0.62 -4.93 118.16 113.68 1h1x n LYS 78 Ca -0.01 0.13 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 1h1x n LYS 78 Cb 0.19 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 31.85 1h1x n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h1x n LYS 79 N -1.57 -4.20 0.00 1.97 5.02 -0.06 -1.40 118.16 117.91 1h1x n LYS 79 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1h1x n LYS 79 Cb 0.27 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1h1x n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h1x n GLY 80 N -1.75 2.48 2.58 0.72 0.00 -1.26 -4.95 105.19 103.01 1h1x n GLY 80 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1h1x n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h1x n HIS 81 N -2.00 2.66 -1.20 1.61 8.25 -0.49 -4.65 115.22 119.40 1h1x n HIS 81 Ca 0.00 -2.73 0.07 0.00 -0.26 0.00 0.00 57.72 54.80 1h1x n HIS 81 Cb 0.00 -1.61 0.19 0.00 1.12 0.00 0.00 29.99 29.69 1h1x n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1h1x n HIS 82 N 1.27 0.45 -0.14 4.41 1.44 -1.26 -4.71 115.22 116.68 1h1x n HIS 82 Ca 0.55 -1.15 -0.05 0.00 -2.01 0.00 0.00 57.72 55.06 1h1x n HIS 82 Cb 0.26 -0.27 0.04 0.00 0.12 0.00 0.00 29.99 30.14 1h1x n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1h1x h GLU 83 N 0.83 0.33 -0.47 -1.40 9.09 -2.00 0.06 114.58 121.02 1h1x h GLU 83 Ca 0.04 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.36 1h1x h GLU 83 Cb 1.24 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 28.24 1h1x h GLU 83 CO 0.13 0.22 -0.01 0.00 0.05 0.00 0.00 179.01 179.40 1h1x h ALA 84 N 1.28 1.11 -0.09 1.06 0.00 -2.00 -2.57 119.26 118.04 1h1x h ALA 84 Ca 0.20 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1h1x h ALA 84 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h1x h ALA 84 CO -0.20 0.57 -0.75 0.93 0.00 0.00 0.00 179.25 179.80 1h1x h GLU 85 N 0.73 0.48 0.00 0.00 3.07 -1.78 -3.27 114.58 113.81 1h1x h GLU 85 Ca 0.14 -0.40 -0.10 0.00 -0.50 0.00 0.00 59.36 58.51 1h1x h GLU 85 Cb 0.46 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1h1x h GLU 85 CO 0.02 1.03 -0.46 -0.07 -1.40 0.00 0.00 179.01 178.13 1h1x h LEU 86 N 0.32 0.00 0.46 1.33 3.38 -0.75 -3.25 115.31 116.79 1h1x h LEU 86 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h1x h LEU 86 Cb 1.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1h1x h LEU 86 CO 0.13 0.46 -0.43 0.11 0.09 0.00 0.00 178.44 178.81 1h1x h LYS 87 N 0.00 -0.86 -0.24 1.13 1.57 -1.51 0.31 116.57 116.96 1h1x h LYS 87 Ca -0.00 0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1h1x h LYS 87 Cb 0.90 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1h1x h LYS 87 CO 0.06 -0.58 -0.38 -1.00 -0.57 0.00 0.00 179.45 176.98 1h1x h PRO 88 N -0.90 0.56 -0.44 3.15 0.13 -1.75 -1.58 132.00 131.16 1h1x h PRO 88 Ca -0.05 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1h1x h PRO 88 Cb 0.78 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1h1x h PRO 88 CO -0.05 0.85 0.23 1.25 -0.23 0.00 0.00 178.00 180.05 1h1x h LEU 89 N 0.46 0.57 -0.45 1.56 7.12 -1.55 -0.73 115.31 122.29 1h1x h LEU 89 Ca 0.04 -0.11 -0.12 0.00 0.13 0.00 0.00 57.88 57.82 1h1x h LEU 89 Cb 0.88 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1h1x h LEU 89 CO 0.07 0.52 -0.20 0.00 -0.13 0.00 0.00 178.44 178.70 1h1x h ALA 90 N 1.07 0.63 -0.52 1.25 0.00 -0.22 -0.35 119.26 121.13 1h1x h ALA 90 Ca 0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1h1x h ALA 90 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1h1x h ALA 90 CO -0.02 0.61 0.14 0.37 0.00 0.00 0.00 179.25 180.34 1h1x h GLN 91 N 0.77 0.83 -0.19 0.00 4.15 -1.08 0.92 115.11 120.50 1h1x h GLN 91 Ca 0.10 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1h1x h GLN 91 Cb 0.77 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1h1x h GLN 91 CO 0.06 0.78 0.06 -0.44 -1.93 0.00 0.00 178.83 177.36 1h1x h ASP 92 N 0.72 0.28 0.65 -0.69 3.32 -1.00 -0.60 116.42 119.10 1h1x h ASP 92 Ca 0.16 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1h1x h ASP 92 Cb 0.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1h1x h ASP 92 CO -0.00 0.41 -0.44 0.45 -1.72 0.00 0.00 179.24 177.94 1h1x h HIS 93 N 0.14 0.00 0.01 4.55 3.86 -0.85 -0.26 115.15 122.60 1h1x h HIS 93 Ca 0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1h1x h HIS 93 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1h1x h HIS 93 CO 0.00 0.44 -0.01 0.00 0.86 0.00 0.00 177.93 179.23 1h1x h ALA 94 N 1.56 -0.01 0.00 2.45 0.00 -0.74 -0.00 119.26 122.52 1h1x h ALA 94 Ca -0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 1h1x h ALA 94 Cb 0.88 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1h1x h ALA 94 CO 0.06 -0.10 -2.16 2.41 0.00 0.00 0.00 179.25 179.46 1h1x n THR 95 N -4.71 1.16 -0.08 0.00 -1.04 -0.24 -3.23 114.28 106.14 1h1x n THR 95 Ca -0.09 -0.69 -0.20 0.00 -2.04 0.00 0.00 64.05 61.03 1h1x n THR 95 Cb 0.38 -0.63 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 1h1x n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1h1x h LYS 96 N 0.00 0.03 0.00 -2.82 3.64 -1.24 -3.42 116.57 112.76 1h1x h LYS 96 Ca -0.46 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1h1x h LYS 96 Cb 2.01 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.82 1h1x h LYS 96 CO 0.01 1.02 -1.75 0.72 -2.27 0.00 0.00 179.45 177.19 1h1x n HIS 97 N -4.41 0.48 -3.23 1.91 8.25 -0.26 -5.02 115.22 112.94 1h1x n HIS 97 Ca -0.26 0.15 -0.11 0.00 -0.26 0.00 0.00 57.72 57.24 1h1x n HIS 97 Cb 0.66 -0.88 0.04 0.00 1.12 0.00 0.00 29.99 30.93 1h1x n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1h1x n LYS 98 N -2.64 -1.74 -3.65 -0.41 4.76 -0.18 -4.99 118.16 109.31 1h1x n LYS 98 Ca -0.12 1.09 -0.39 0.00 -2.87 0.00 0.00 58.31 56.02 1h1x n LYS 98 Cb 0.79 -5.52 -0.12 0.00 -1.84 0.00 0.00 35.03 28.35 1h1x n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1h1x s ILE 99 N -3.22 4.43 0.74 -0.18 -1.09 -0.24 -5.02 121.20 116.62 1h1x s ILE 99 Ca 0.25 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.81 1h1x s ILE 99 Cb -0.04 -3.40 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1h1x s ILE 99 CO 0.76 -0.11 1.09 -2.16 -1.23 0.00 0.00 174.94 173.29 1h1x s PRO 100 N 1.55 2.46 0.35 2.79 0.04 -1.26 -4.80 135.00 136.12 1h1x s PRO 100 Ca 0.02 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.33 1h1x s PRO 100 Cb -0.18 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.16 1h1x s PRO 100 CO 0.06 -1.49 1.92 0.82 0.04 0.00 0.00 177.00 178.34 1h1x h ILE 101 N -0.78 0.97 -0.83 0.56 1.08 -1.92 -0.01 117.51 116.58 1h1x h ILE 101 Ca -0.44 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 63.83 1h1x h ILE 101 Cb 1.23 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 1h1x h ILE 101 CO 0.52 0.14 0.54 0.50 -0.69 0.00 0.00 178.15 179.17 1h1x h LYS 102 N 0.79 0.86 -0.01 2.37 3.64 -1.92 0.43 116.57 122.74 1h1x h LYS 102 Ca 0.37 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1h1x h LYS 102 Cb 0.39 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1h1x h LYS 102 CO -0.14 0.57 -0.78 1.88 -2.27 0.00 0.00 179.45 178.70 1h1x h TYR 103 N 0.89 0.15 -0.15 1.91 -1.99 -1.36 -1.82 116.97 114.61 1h1x h TYR 103 Ca 0.37 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.95 1h1x h TYR 103 Cb 0.28 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1h1x h TYR 103 CO -0.00 0.84 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.73 1h1x h LEU 104 N 0.06 0.24 -0.36 3.88 3.38 -0.76 -1.15 115.31 120.60 1h1x h LEU 104 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1h1x h LEU 104 Cb 1.38 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1h1x h LEU 104 CO 0.11 0.46 0.13 -0.33 0.09 0.00 0.00 178.44 178.90 1h1x h GLU 105 N 0.23 0.54 -0.83 1.13 5.08 -0.69 -1.49 114.58 118.55 1h1x h GLU 105 Ca 0.04 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h1x h GLU 105 Cb 0.49 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1h1x h GLU 105 CO 0.03 0.54 0.52 0.74 -1.00 0.00 0.00 179.01 179.84 1h1x h PHE 106 N 0.43 1.08 0.00 4.33 0.04 -0.74 -0.90 116.94 121.17 1h1x h PHE 106 Ca 0.12 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 1h1x h PHE 106 Cb 0.21 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1h1x h PHE 106 CO 0.00 0.71 -0.55 0.97 -0.60 0.00 0.00 178.31 178.84 1h1x h ILE 107 N 1.13 1.30 -0.46 -0.55 2.10 -1.12 -1.47 117.51 118.44 1h1x h ILE 107 Ca 0.30 -1.96 -0.02 0.00 1.08 0.00 0.00 64.86 64.26 1h1x h ILE 107 Cb -0.07 2.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1h1x h ILE 107 CO -0.06 0.54 0.21 0.28 -1.08 0.00 0.00 178.15 178.05 1h1x h SER 108 N 0.00 0.61 -0.91 2.19 0.02 -0.70 0.33 113.55 115.09 1h1x h SER 108 Ca -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1h1x h SER 108 Cb 1.04 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1h1x h SER 108 CO 0.07 0.58 0.52 -0.33 -1.14 0.00 0.00 176.83 176.53 1h1x h GLU 109 N 0.60 1.25 -0.63 3.45 5.08 -0.82 -1.43 114.58 122.08 1h1x h GLU 109 Ca 0.16 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1h1x h GLU 109 Cb 0.13 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1h1x h GLU 109 CO -0.02 0.90 0.09 0.00 -1.00 0.00 0.00 179.01 178.98 1h1x h ALA 110 N 1.31 0.84 -0.15 3.43 0.00 -0.66 -0.13 119.26 123.90 1h1x h ALA 110 Ca 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h1x h ALA 110 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1h1x h ALA 110 CO -0.06 0.61 0.08 0.82 0.00 0.00 0.00 179.25 180.71 1h1x h ILE 111 N 0.97 1.02 -0.85 0.00 2.04 -0.68 -1.13 117.51 118.87 1h1x h ILE 111 Ca 0.19 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1h1x h ILE 111 Cb 0.45 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1h1x h ILE 111 CO 0.01 0.03 0.41 0.40 0.00 0.00 0.00 178.15 179.01 1h1x h ILE 112 N 0.18 1.26 -0.34 -0.67 2.04 -1.07 -0.95 117.51 117.96 1h1x h ILE 112 Ca 0.06 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1h1x h ILE 112 Cb -0.00 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1h1x h ILE 112 CO -0.03 0.31 0.16 -0.74 0.00 0.00 0.00 178.15 177.85 1h1x h HIS 113 N 1.22 0.49 -0.42 1.37 2.76 -0.74 -0.46 115.15 119.37 1h1x h HIS 113 Ca 0.29 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1h1x h HIS 113 Cb 0.12 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1h1x h HIS 113 CO 0.02 0.44 -0.10 0.28 -1.30 0.00 0.00 177.93 177.26 1h1x h VAL 114 N 0.41 1.27 -0.64 5.26 2.07 -0.96 -1.64 116.25 122.02 1h1x h VAL 114 Ca 0.12 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 1h1x h VAL 114 Cb 0.14 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1h1x h VAL 114 CO -0.01 0.40 0.14 -0.07 0.02 0.00 0.00 177.57 178.05 1h1x h LEU 115 N 0.62 0.97 -0.89 2.57 3.38 -1.08 0.18 115.31 121.06 1h1x h LEU 115 Ca 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1h1x h LEU 115 Cb 0.63 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1h1x h LEU 115 CO 0.04 0.94 0.34 -0.74 0.09 0.00 0.00 178.44 179.12 1h1x h HIS 116 N 0.97 1.15 -0.15 1.13 2.76 -0.93 0.39 115.15 120.47 1h1x h HIS 116 Ca 0.20 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 1h1x h HIS 116 Cb 0.37 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1h1x h HIS 116 CO 0.03 0.86 -0.26 0.77 -1.30 0.00 0.00 177.93 178.03 1h1x h SER 117 N 1.13 0.49 0.73 3.26 0.02 -0.92 -3.35 113.55 114.90 1h1x h SER 117 Ca 0.27 -0.54 -0.25 0.00 -0.84 0.00 0.00 61.79 60.43 1h1x h SER 117 Cb 0.17 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1h1x h SER 117 CO -0.03 0.93 -1.36 0.03 -1.14 0.00 0.00 176.83 175.26 1h1x h ARG 118 N 0.06 0.01 -1.60 3.45 3.08 -0.90 -3.41 114.38 115.07 1h1x h ARG 118 Ca 0.01 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 1h1x h ARG 118 Cb 0.84 0.01 -0.41 0.00 0.08 0.00 0.00 29.97 30.48 1h1x h ARG 118 CO 0.06 0.77 -0.84 0.72 -1.07 0.00 0.00 179.97 179.60 1h1x n HIS 119 N -3.21 2.85 0.27 3.04 8.25 0.12 -4.86 115.22 121.67 1h1x n HIS 119 Ca -0.09 -3.28 0.17 0.00 -0.26 0.00 0.00 57.72 54.27 1h1x n HIS 119 Cb 1.00 -0.25 0.93 0.00 1.12 0.00 0.00 29.99 32.79 1h1x n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1h1x h PRO 120 N 2.77 0.00 0.00 -0.41 0.13 -1.75 0.21 132.00 132.96 1h1x h PRO 120 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h1x h PRO 120 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1h1x h PRO 120 CO 0.75 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.30 1h1x h GLY 121 N 0.00 0.00 -0.49 1.56 0.00 -1.95 -3.22 103.07 98.97 1h1x h GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1h1x h GLY 121 CO -0.00 0.00 -0.25 0.70 0.00 0.00 0.00 176.54 176.99 1h1x n ASN 122 N -2.94 0.70 -2.70 0.19 3.02 -0.23 -4.83 115.26 108.48 1h1x n ASN 122 Ca 0.01 -2.05 -0.07 0.00 -0.03 0.00 0.00 54.58 52.44 1h1x n ASN 122 Cb 0.31 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.33 1h1x n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1h1x n PHE 123 N -0.37 0.90 -0.49 3.10 7.35 0.59 -4.49 117.46 124.05 1h1x n PHE 123 Ca 0.04 -2.60 0.00 0.00 -0.76 0.00 0.00 57.45 54.13 1h1x n PHE 123 Cb 0.61 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.24 1h1x n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h1x n GLY 124 N -0.22 -2.28 0.19 7.13 0.00 -1.25 -4.57 105.19 104.18 1h1x n GLY 124 Ca 0.07 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1h1x n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1x h ALA 125 N -2.00 0.47 -0.58 4.61 0.00 -1.98 0.12 119.26 119.90 1h1x h ALA 125 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1h1x h ALA 125 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1h1x h ALA 125 CO 0.00 0.15 0.23 -0.44 0.00 0.00 0.00 179.25 179.19 1h1x h ASP 126 N 0.43 0.80 -0.31 0.00 3.32 -1.99 -0.37 116.42 118.30 1h1x h ASP 126 Ca 0.11 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1h1x h ASP 126 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1h1x h ASP 126 CO 0.00 0.76 -0.23 0.00 -1.72 0.00 0.00 179.24 178.05 1h1x h ALA 127 N 1.08 0.85 -0.61 3.45 0.00 -1.80 -1.25 119.26 120.99 1h1x h ALA 127 Ca 0.19 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1h1x h ALA 127 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1h1x h ALA 127 CO -0.02 0.64 0.02 0.37 0.00 0.00 0.00 179.25 180.26 1h1x h GLN 128 N 0.69 1.08 -0.93 0.00 4.15 -0.73 -0.77 115.11 118.60 1h1x h GLN 128 Ca 0.09 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1h1x h GLN 128 Cb 0.74 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 1h1x h GLN 128 CO 0.06 1.04 0.54 0.78 -1.93 0.00 0.00 178.83 179.32 1h1x h GLY 129 N 0.98 1.36 1.00 2.39 0.00 -0.78 0.72 103.07 108.73 1h1x h GLY 129 Ca 0.18 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1h1x h GLY 129 CO 0.03 0.56 -0.10 0.00 0.00 0.00 0.00 176.54 177.04 1h1x h ALA 130 N 1.31 0.58 -0.59 3.60 0.00 -0.89 -1.03 119.26 122.23 1h1x h ALA 130 Ca 0.33 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1h1x h ALA 130 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1h1x h ALA 130 CO -0.06 0.46 0.00 1.98 0.00 0.00 0.00 179.25 181.63 1h1x h MET 131 N 0.64 1.03 -0.74 0.00 -1.53 -0.86 -0.49 114.93 112.98 1h1x h MET 131 Ca 0.11 -0.32 0.01 0.00 -3.44 0.00 0.00 59.70 56.06 1h1x h MET 131 Cb 0.63 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 1h1x h MET 131 CO 0.04 1.01 0.49 -0.97 0.14 0.00 0.00 176.91 177.62 1h1x h ASN 132 N 0.95 0.84 -0.60 1.39 -1.24 -0.67 -0.12 115.58 116.13 1h1x h ASN 132 Ca 0.17 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1h1x h ASN 132 Cb 0.54 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 1h1x h ASN 132 CO 0.03 0.61 0.24 0.11 -1.29 0.00 0.00 177.43 177.13 1h1x h LYS 133 N 1.00 0.90 -0.77 6.67 1.57 -0.75 0.88 116.57 126.06 1h1x h LYS 133 Ca 0.27 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1h1x h LYS 133 Cb -0.11 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 1h1x h LYS 133 CO -0.06 0.76 0.37 0.00 -0.57 0.00 0.00 179.45 179.95 1h1x h ALA 134 N 1.09 0.99 -0.07 3.86 0.00 -0.64 -0.66 119.26 123.83 1h1x h ALA 134 Ca 0.20 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1h1x h ALA 134 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h1x h ALA 134 CO -0.02 0.56 -0.67 -0.07 0.00 0.00 0.00 179.25 179.05 1h1x h LEU 135 N 1.09 0.34 -0.73 0.00 3.38 -0.74 -1.50 115.31 117.15 1h1x h LEU 135 Ca 0.26 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1h1x h LEU 135 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1h1x h LEU 135 CO -0.03 0.91 0.21 -0.08 0.09 0.00 0.00 178.44 179.54 1h1x h GLU 136 N 0.21 1.15 -0.39 1.13 4.81 -0.63 0.03 114.58 120.89 1h1x h GLU 136 Ca -0.02 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1h1x h GLU 136 Cb 1.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1h1x h GLU 136 CO 0.11 0.99 0.14 1.25 -0.73 0.00 0.00 179.01 180.77 1h1x h LEU 137 N 1.10 0.55 -0.37 1.64 5.85 -0.94 0.13 115.31 123.27 1h1x h LEU 137 Ca 0.23 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1h1x h LEU 137 Cb 0.34 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1h1x h LEU 137 CO -0.00 0.59 0.20 0.15 -0.34 0.00 0.00 178.44 179.03 1h1x h PHE 138 N 0.48 0.37 -0.38 1.25 3.57 -1.01 -0.27 116.94 120.94 1h1x h PHE 138 Ca 0.13 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1h1x h PHE 138 Cb 0.23 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1h1x h PHE 138 CO 0.00 0.20 -0.29 0.00 -2.23 0.00 0.00 178.31 176.00 1h1x h ARG 139 N 0.40 0.82 -0.50 1.11 3.08 -0.70 0.32 114.38 118.90 1h1x h ARG 139 Ca 0.15 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1h1x h ARG 139 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1h1x h ARG 139 CO -0.10 1.00 0.25 -0.22 -1.07 0.00 0.00 179.97 179.84 1h1x h LYS 140 N 0.70 0.71 -0.21 0.04 3.64 -0.42 0.55 116.57 121.58 1h1x h LYS 140 Ca 0.08 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1h1x h LYS 140 Cb 0.83 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1h1x h LYS 140 CO 0.07 0.58 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.83 1h1x h ASP 141 N 0.66 0.74 -0.63 4.20 3.32 -0.80 -1.62 116.42 122.30 1h1x h ASP 141 Ca 0.17 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1h1x h ASP 141 Cb 0.10 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1h1x h ASP 141 CO -0.02 1.15 0.39 0.40 -1.72 0.00 0.00 179.24 179.44 1h1x h ILE 142 N 0.50 1.17 -0.79 0.35 2.04 -0.80 -1.55 117.51 118.44 1h1x h ILE 142 Ca 0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1h1x h ILE 142 Cb 1.14 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1h1x h ILE 142 CO 0.11 0.17 0.43 0.00 0.00 0.00 0.00 178.15 178.87 1h1x h ALA 143 N 1.21 1.29 -0.58 1.87 0.00 -0.64 0.31 119.26 122.71 1h1x h ALA 143 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1h1x h ALA 143 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1h1x h ALA 143 CO -0.05 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1h1x h ALA 144 N 1.38 0.79 -0.43 0.00 0.00 -1.03 -1.72 119.26 118.24 1h1x h ALA 144 Ca 0.28 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1h1x h ALA 144 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1h1x h ALA 144 CO -0.05 0.62 -0.31 -0.22 0.00 0.00 0.00 179.25 179.29 1h1x h LYS 145 N 0.92 0.96 -0.62 0.00 1.63 -0.42 -2.06 116.57 116.99 1h1x h LYS 145 Ca 0.17 -0.46 0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1h1x h LYS 145 Cb 0.55 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.10 1h1x h LYS 145 CO 0.03 1.13 0.18 1.88 -3.45 0.00 0.00 179.45 179.22 1h1x h TYR 146 N 0.80 0.30 -0.66 1.91 -1.99 -0.17 -0.12 116.97 117.04 1h1x h TYR 146 Ca 0.08 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 1h1x h TYR 146 Cb 0.90 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 1h1x h TYR 146 CO 0.06 0.02 0.24 -0.22 -0.00 0.00 0.00 178.16 178.26 1h1x h LYS 147 N 0.33 1.00 -0.82 4.88 3.64 -1.07 0.14 116.57 124.67 1h1x h LYS 147 Ca 0.32 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1h1x h LYS 147 Cb 0.46 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1h1x h LYS 147 CO -0.37 0.85 0.53 0.93 -2.27 0.00 0.00 179.45 179.12 1h1x h GLU 148 N 0.94 1.09 -0.00 1.90 5.08 -0.62 -2.49 114.58 120.48 1h1x h GLU 148 Ca 0.22 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1h1x h GLU 148 Cb 0.24 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1h1x h GLU 148 CO -0.01 0.74 -0.03 1.28 -1.00 0.00 0.00 179.01 179.99 1h1x n LEU 149 N -4.40 0.05 0.00 1.33 4.77 -0.14 -4.92 117.00 113.69 1h1x n LEU 149 Ca 0.09 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1h1x n LEU 149 Cb 0.04 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1h1x n LEU 149 CO 0.37 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1h1x n GLY 150 N 1.40 0.90 3.43 -0.72 0.00 -0.52 -5.06 105.19 104.62 1h1x n GLY 150 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1h1x n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h1x s TYR 151 N -2.02 3.00 0.30 1.61 5.04 -0.08 -4.99 117.35 120.21 1h1x s TYR 151 Ca 0.00 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 1h1x s TYR 151 Cb 0.00 -2.03 0.48 0.00 0.35 0.00 0.00 41.96 40.76 1h1x s TYR 151 CO 0.00 -0.24 1.80 0.37 -1.34 0.00 0.00 175.55 176.14 1h1x h GLN 152 N 7.33 0.58 0.00 4.97 4.15 -1.95 -3.26 115.11 126.93 1h1x h GLN 152 Ca -0.35 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1h1x h GLN 152 Cb 1.18 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1h1x h GLN 152 CO 0.61 0.66 0.00 0.41 -1.93 0.00 0.00 178.83 178.58