#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 112m s VAL 1 N 0.00 0.21 0.35 3.17 1.01 -1.26 -5.05 120.40 118.83 112m s VAL 1 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 112m s VAL 1 Cb 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 112m s VAL 1 CO 0.00 0.15 0.73 -0.76 0.00 0.00 0.00 175.10 175.22 112m s LEU 2 N 1.03 3.97 0.58 3.92 1.02 -1.26 -5.08 118.68 122.86 112m s LEU 2 Ca -0.10 1.16 -0.07 0.00 0.02 0.00 0.00 54.13 55.15 112m s LEU 2 Cb -0.14 -4.00 -0.01 0.00 0.02 0.00 0.00 46.19 42.07 112m s LEU 2 CO -0.02 -0.28 0.90 -0.94 0.02 0.00 0.00 176.35 176.04 112m s SER 3 N -2.70 5.81 0.25 2.29 1.04 -1.26 -4.91 113.70 114.22 112m s SER 3 Ca 0.52 0.88 -0.05 0.00 0.48 0.00 0.00 55.95 57.78 112m s SER 3 Cb -0.10 -1.94 0.32 0.00 0.10 0.00 0.00 66.02 64.40 112m s SER 3 CO 0.24 -0.95 1.90 -0.08 0.98 0.00 0.00 173.24 175.33 112m h GLU 4 N -0.13 1.19 -0.98 4.02 4.57 -1.99 -1.17 114.58 120.09 112m h GLU 4 Ca -0.46 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 112m h GLU 4 Cb 1.24 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 112m h GLU 4 CO 0.61 0.79 0.63 0.78 -1.18 0.00 0.00 179.01 180.64 112m h GLY 5 N 1.23 1.40 1.34 1.92 0.00 -1.99 0.60 103.07 107.56 112m h GLY 5 Ca 0.39 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 112m h GLY 5 CO -0.13 0.53 -0.34 0.83 0.00 0.00 0.00 176.54 177.43 112m h GLU 6 N 1.34 0.74 -0.59 4.80 5.08 -1.77 -2.10 114.58 122.08 112m h GLU 6 Ca 0.36 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 112m h GLU 6 Cb -0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 112m h GLU 6 CO -0.07 0.97 0.09 -1.49 -1.00 0.00 0.00 179.01 177.50 112m h TRP 7 N 0.62 1.02 -0.56 4.33 -0.00 -0.52 -2.08 115.95 118.75 112m h TRP 7 Ca 0.06 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.89 58.80 112m h TRP 7 Cb 0.87 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.72 112m h TRP 7 CO 0.04 0.87 0.26 1.96 -0.00 0.00 0.00 178.44 181.58 112m h GLN 8 N 0.91 0.82 -0.86 0.49 1.08 -0.62 0.90 115.11 117.83 112m h GLN 8 Ca 0.18 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 112m h GLN 8 Cb 0.41 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 112m h GLN 8 CO 0.01 0.68 0.48 -0.07 -0.95 0.00 0.00 178.83 178.97 112m h LEU 9 N 0.77 1.06 0.09 1.46 3.38 -1.12 0.22 115.31 121.17 112m h LEU 9 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 112m h LEU 9 Cb 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 112m h LEU 9 CO -0.02 0.85 -0.04 0.58 0.09 0.00 0.00 178.44 179.89 112m h VAL 10 N 1.20 1.11 0.00 1.22 2.07 -0.90 -2.99 116.25 117.96 112m h VAL 10 Ca 0.30 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 112m h VAL 10 Cb 0.02 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 112m h VAL 10 CO -0.05 0.19 -0.20 -0.07 0.02 0.00 0.00 177.57 177.46 112m h LEU 11 N -0.48 0.00 -0.12 2.57 3.38 -0.66 -1.49 115.31 118.50 112m h LEU 11 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 112m h LEU 11 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 112m h LEU 11 CO 0.02 0.20 -0.04 -0.74 0.09 0.00 0.00 178.44 177.97 112m h HIS 12 N 0.00 0.27 0.00 1.13 2.76 -0.52 -1.73 115.15 117.06 112m h HIS 12 Ca -0.00 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.98 112m h HIS 12 Cb 0.57 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 112m h HIS 12 CO 0.00 0.56 -0.57 -0.24 -1.30 0.00 0.00 177.93 176.38 112m h VAL 13 N -0.10 1.24 0.00 5.26 3.04 -1.42 -2.94 116.25 121.34 112m h VAL 13 Ca 0.03 -2.09 -0.07 0.00 -1.01 0.00 0.00 66.70 63.56 112m h VAL 13 Cb 0.49 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 112m h VAL 13 CO 0.01 0.56 -0.35 -0.25 -1.01 0.00 0.00 177.57 176.54 112m h TRP 14 N 0.00 0.00 -0.59 3.17 2.91 -1.15 -2.08 115.95 118.21 112m h TRP 14 Ca -0.01 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 112m h TRP 14 Cb 1.14 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.76 112m h TRP 14 CO 0.00 0.35 0.15 0.00 -1.03 0.00 0.00 178.44 177.92 112m h ALA 15 N 1.65 1.15 -0.45 2.65 0.00 -1.12 -1.19 119.26 121.95 112m h ALA 15 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 112m h ALA 15 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 112m h ALA 15 CO 0.05 0.58 -0.16 0.87 0.00 0.00 0.00 179.25 180.58 112m h LYS 16 N 0.88 0.86 -0.92 0.00 1.79 -1.43 -2.84 116.57 114.91 112m h LYS 16 Ca 0.19 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 112m h LYS 16 Cb 0.30 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 112m h LYS 16 CO -0.00 0.96 0.53 0.28 -1.08 0.00 0.00 179.45 180.13 112m h VAL 17 N 0.76 1.26 0.00 0.50 2.07 -0.84 -2.40 116.25 117.60 112m h VAL 17 Ca 0.11 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.03 112m h VAL 17 Cb 0.69 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 112m h VAL 17 CO 0.05 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 112m n GLU 18 N -4.34 0.04 0.26 1.57 1.02 -0.52 -1.95 120.64 116.71 112m n GLU 18 Ca 0.10 0.33 0.14 0.00 -0.02 0.00 0.00 57.16 57.71 112m n GLU 18 Cb 0.08 -1.59 0.60 0.00 -0.02 0.00 0.00 31.44 30.52 112m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 112m h ALA 19 N 2.37 1.03 -0.54 0.62 0.00 -1.42 -3.36 119.26 117.96 112m h ALA 19 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 112m h ALA 19 Cb 0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.81 112m h ALA 19 CO 0.00 0.12 -0.61 -3.47 0.00 0.00 0.00 179.25 175.28 112m n ASP 20 N -3.24 -2.36 -0.22 0.00 2.03 -0.82 -5.02 116.55 106.91 112m n ASP 20 Ca 0.00 -3.13 -0.06 0.00 0.52 0.00 0.00 54.79 52.13 112m n ASP 20 Cb 0.35 1.32 0.04 0.00 -0.72 0.00 0.00 41.12 42.11 112m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 112m h VAL 21 N 3.11 1.17 -0.36 5.18 2.07 -1.67 -1.77 116.25 123.98 112m h VAL 21 Ca -0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.14 112m h VAL 21 Cb 1.01 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 112m h VAL 21 CO 0.32 0.16 0.23 0.00 0.02 0.00 0.00 177.57 178.30 112m h ALA 22 N 1.22 0.45 -0.56 1.67 0.00 -1.90 0.45 119.26 120.59 112m h ALA 22 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 112m h ALA 22 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 112m h ALA 22 CO -0.05 -0.10 -0.04 0.78 0.00 0.00 0.00 179.25 179.84 112m h GLY 23 N 0.47 1.10 1.32 0.00 0.00 -1.90 -2.07 103.07 101.99 112m h GLY 23 Ca 0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 47.33 46.50 112m h GLY 23 CO -0.04 0.78 -0.22 0.45 0.00 0.00 0.00 176.54 177.50 112m h HIS 24 N 0.91 0.88 -0.60 5.60 3.86 -1.14 -2.56 115.15 122.11 112m h HIS 24 Ca 0.15 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 112m h HIS 24 Cb 0.60 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 112m h HIS 24 CO 0.04 0.93 0.04 0.78 0.86 0.00 0.00 177.93 180.58 112m h GLY 25 N 0.96 1.09 0.84 2.45 0.00 -0.76 -1.84 103.07 105.80 112m h GLY 25 Ca 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 112m h GLY 25 CO 0.06 0.69 -0.05 1.46 0.00 0.00 0.00 176.54 178.70 112m h GLN 26 N 0.93 -0.13 -0.27 4.80 4.20 -1.27 -1.94 115.11 121.44 112m h GLN 26 Ca 0.18 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.96 112m h GLN 26 Cb 0.48 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 112m h GLN 26 CO 0.02 0.06 -0.11 -0.44 -0.67 0.00 0.00 178.83 177.68 112m h ASP 27 N -0.30 -0.39 -0.16 1.46 5.19 -1.35 -1.31 116.42 119.56 112m h ASP 27 Ca -0.01 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 112m h ASP 27 Cb 0.25 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 112m h ASP 27 CO 0.02 -0.15 0.09 0.40 -3.12 0.00 0.00 179.24 176.49 112m h ILE 28 N -0.07 1.09 -0.64 0.35 2.04 -1.31 -1.09 117.51 117.87 112m h ILE 28 Ca 0.14 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 112m h ILE 28 Cb 0.28 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 112m h ILE 28 CO -0.31 0.08 0.09 -0.07 0.00 0.00 0.00 178.15 177.93 112m h LEU 29 N 0.18 1.02 -0.45 1.44 3.38 -1.18 -1.44 115.31 118.26 112m h LEU 29 Ca 0.06 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 112m h LEU 29 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 112m h LEU 29 CO -0.01 1.03 -0.38 0.40 0.09 0.00 0.00 178.44 179.56 112m h ILE 30 N 0.99 1.28 -0.39 1.22 2.04 -1.20 -1.07 117.51 120.38 112m h ILE 30 Ca 0.19 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.50 112m h ILE 30 Cb 0.45 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 112m h ILE 30 CO 0.01 0.52 0.26 -0.09 0.00 0.00 0.00 178.15 178.85 112m h ARG 31 N 0.72 0.52 -0.20 2.37 9.65 -0.99 -1.56 114.38 124.89 112m h ARG 31 Ca 0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 112m h ARG 31 Cb 0.96 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 112m h ARG 31 CO 0.09 0.35 0.11 1.25 2.80 0.00 0.00 179.97 184.58 112m h LEU 32 N 0.53 0.24 -1.40 3.80 5.85 -1.09 -0.95 115.31 122.29 112m h LEU 32 Ca 0.14 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 112m h LEU 32 Cb -0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 112m h LEU 32 CO -0.03 0.24 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.78 112m h PHE 33 N 0.22 0.05 0.15 1.25 0.04 -1.02 -0.53 116.94 117.11 112m h PHE 33 Ca 0.07 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.58 112m h PHE 33 Cb 0.05 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.20 112m h PHE 33 CO -0.04 0.31 -1.20 0.87 -0.60 0.00 0.00 178.31 177.65 112m h LYS 34 N 0.04 0.32 -0.29 1.51 1.57 -1.14 -2.77 116.57 115.82 112m h LYS 34 Ca 0.01 -0.54 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 112m h LYS 34 Cb 0.50 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 112m h LYS 34 CO 0.04 1.26 -0.26 0.77 -0.57 0.00 0.00 179.45 180.69 112m h SER 35 N -0.25 0.58 -2.28 0.86 0.02 -1.15 -3.37 113.55 107.98 112m h SER 35 Ca -0.23 -0.21 -0.58 0.00 -0.84 0.00 0.00 61.79 59.93 112m h SER 35 Cb 1.79 -0.16 -0.38 0.00 0.14 0.00 0.00 62.40 63.79 112m h SER 35 CO 0.13 0.83 -1.00 1.41 -1.14 0.00 0.00 176.83 177.06 112m n HIS 36 N -4.11 -0.60 -0.14 3.45 8.25 -0.21 -5.00 115.22 116.87 112m n HIS 36 Ca -0.00 -3.42 0.28 0.00 -0.26 0.00 0.00 57.72 54.32 112m n HIS 36 Cb 0.43 0.05 0.72 0.00 1.12 0.00 0.00 29.99 32.31 112m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 112m h PRO 37 N 5.13 0.00 -0.08 -0.41 0.11 -1.66 -1.29 132.00 133.80 112m h PRO 37 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 112m h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 112m h PRO 37 CO 0.41 0.00 -0.03 1.05 -0.21 0.00 0.00 178.00 179.23 112m h GLU 38 N 0.00 0.11 -0.11 1.05 9.09 -1.93 -1.55 114.58 121.24 112m h GLU 38 Ca 0.39 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.77 112m h GLU 38 Cb 1.71 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.78 112m h GLU 38 CO -0.00 0.15 -0.04 1.79 0.05 0.00 0.00 179.01 180.95 112m h THR 39 N 0.11 1.10 0.00 -1.06 1.35 -1.57 -1.86 112.91 110.97 112m h THR 39 Ca 0.03 -0.42 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 112m h THR 39 Cb 0.12 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 112m h THR 39 CO 0.00 0.13 -0.10 0.25 -0.25 0.00 0.00 175.52 175.55 112m h LEU 40 N 0.15 0.00 -2.30 3.87 5.85 -1.44 -2.30 115.31 119.14 112m h LEU 40 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 112m h LEU 40 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 112m h LEU 40 CO 0.01 0.10 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.84 112m h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.43 -1.62 114.58 117.86 112m h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 112m h GLU 41 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 112m h GLU 41 CO 0.01 0.04 0.00 0.87 -1.00 0.00 0.00 179.01 178.93 112m h LYS 42 N 0.00 0.00 -4.36 2.33 1.79 -1.56 -3.40 116.57 111.37 112m h LYS 42 Ca -0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 112m h LYS 42 Cb 0.11 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.46 112m h LYS 42 CO 0.01 0.00 -0.43 -0.06 -1.08 0.00 0.00 179.45 177.88 112m s PHE 43 N -3.32 3.41 0.47 -1.35 0.40 -0.61 -4.92 117.98 112.06 112m s PHE 43 Ca 0.05 -1.83 0.20 0.00 -0.60 0.00 0.00 56.93 54.76 112m s PHE 43 Cb 0.10 -3.30 1.27 0.00 0.51 0.00 0.00 43.02 41.59 112m s PHE 43 CO 0.45 -0.95 2.07 -0.44 0.70 0.00 0.00 175.22 177.04 112m h ASP 44 N 8.40 0.00 0.43 1.36 3.32 -1.83 0.14 116.42 128.23 112m h ASP 44 Ca -0.21 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.66 112m h ASP 44 Cb 1.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 112m h ASP 44 CO 0.81 0.12 -0.78 0.03 -1.72 0.00 0.00 179.24 177.71 112m h ARG 45 N 0.00 0.27 -0.01 3.56 3.08 -1.94 -3.34 114.38 116.01 112m h ARG 45 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 112m h ARG 45 Cb 0.25 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 112m h ARG 45 CO 0.02 0.92 -0.51 1.19 -1.07 0.00 0.00 179.97 180.52 112m n PHE 46 N -3.76 0.00 -0.31 3.04 3.72 -0.79 -4.61 117.46 114.75 112m n PHE 46 Ca -0.04 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.56 112m n PHE 46 Cb 0.74 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.74 112m n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 112m h LYS 47 N 1.23 0.47 0.00 -1.08 1.57 -0.88 -0.79 116.57 117.10 112m h LYS 47 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 112m h LYS 47 Cb 0.52 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.72 112m h LYS 47 CO 0.00 0.31 0.00 -2.39 -0.57 0.00 0.00 179.45 176.80 112m n HIS 48 N -4.64 0.55 -2.20 -1.35 1.44 -1.26 -4.69 115.22 103.07 112m n HIS 48 Ca 0.23 0.21 -0.42 0.00 -2.01 0.00 0.00 57.72 55.74 112m n HIS 48 Cb 0.76 -0.84 -0.03 0.00 0.12 0.00 0.00 29.99 30.00 112m n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 112m s LEU 49 N -3.99 3.47 0.01 2.39 1.43 -0.30 -4.88 118.68 116.81 112m s LEU 49 Ca 0.05 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 112m s LEU 49 Cb 0.10 -3.25 -0.32 0.00 0.03 0.00 0.00 46.19 42.74 112m s LEU 49 CO 0.36 -1.74 0.89 0.11 0.23 0.00 0.00 176.35 176.20 112m h LYS 50 N 12.17 0.42 -5.25 1.70 1.57 -1.88 -3.49 116.57 121.81 112m h LYS 50 Ca -0.29 -0.71 -0.46 0.00 -1.87 0.00 0.00 60.65 57.31 112m h LYS 50 Cb 1.13 0.27 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 112m h LYS 50 CO 1.11 1.33 -0.62 0.95 -0.57 0.00 0.00 179.45 181.64 112m s THR 51 N -2.60 1.24 0.27 -0.16 -4.23 -1.26 -5.04 115.64 103.85 112m s THR 51 Ca -0.10 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 112m s THR 51 Cb 0.05 -2.69 0.21 0.00 1.34 0.00 0.00 72.50 71.41 112m s THR 51 CO 0.90 -0.08 1.89 -0.08 -0.54 0.00 0.00 174.62 176.70 112m h GLU 52 N 2.18 1.06 -0.78 3.99 4.81 -1.98 -0.74 114.58 123.12 112m h GLU 52 Ca -0.40 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 112m h GLU 52 Cb 1.24 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 112m h GLU 52 CO 0.69 0.79 0.42 0.00 -0.73 0.00 0.00 179.01 180.18 112m h ALA 53 N 1.37 1.01 -0.49 2.92 0.00 -1.98 0.19 119.26 122.27 112m h ALA 53 Ca 0.27 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 112m h ALA 53 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 112m h ALA 53 CO -0.04 0.53 -0.13 0.93 0.00 0.00 0.00 179.25 180.53 112m h GLU 54 N 1.09 0.93 -0.54 0.00 5.08 -1.80 -1.71 114.58 117.63 112m h GLU 54 Ca 0.27 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 112m h GLU 54 Cb 0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 112m h GLU 54 CO -0.04 1.00 0.09 0.52 -1.00 0.00 0.00 179.01 179.57 112m h MET 55 N 0.82 0.89 -0.06 2.33 2.86 -0.59 -2.31 114.93 118.87 112m h MET 55 Ca 0.13 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 112m h MET 55 Cb 0.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 112m h MET 55 CO 0.05 0.87 -0.25 0.87 1.06 0.00 0.00 176.91 179.51 112m h LYS 56 N 0.78 0.11 -0.00 1.72 1.57 -0.40 -2.54 116.57 117.80 112m h LYS 56 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 112m h LYS 56 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 112m h LYS 56 CO 0.01 0.36 -0.31 0.00 -0.57 0.00 0.00 179.45 178.94 112m n ALA 57 N -2.49 3.16 -2.52 3.86 0.00 -0.66 -4.88 120.51 117.00 112m n ALA 57 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 112m n ALA 57 Cb 0.33 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 112m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 112m s SER 58 N -2.74 7.05 0.13 0.00 0.15 -0.89 -4.91 113.70 112.49 112m s SER 58 Ca 0.19 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.50 112m s SER 58 Cb 0.19 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.81 112m s SER 58 CO 0.59 -0.63 1.28 -0.08 1.20 0.00 0.00 173.24 175.59 112m h GLU 59 N 7.64 0.21 -0.40 5.44 4.57 -1.89 -2.97 114.58 127.18 112m h GLU 59 Ca -0.29 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.50 112m h GLU 59 Cb 1.12 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 112m h GLU 59 CO 0.92 1.06 -0.22 -0.44 -1.18 0.00 0.00 179.01 179.16 112m h ASP 60 N 0.09 0.80 -0.23 1.04 3.32 -1.96 -0.67 116.42 118.81 112m h ASP 60 Ca -0.07 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 112m h ASP 60 Cb 1.70 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 112m h ASP 60 CO 0.16 0.99 0.03 0.25 -1.72 0.00 0.00 179.24 178.94 112m h LEU 61 N 0.69 0.38 -0.62 1.55 6.46 -1.89 -1.64 115.31 120.24 112m h LEU 61 Ca 0.10 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 112m h LEU 61 Cb 0.73 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 112m h LEU 61 CO 0.06 0.56 0.39 0.50 -0.62 0.00 0.00 178.44 179.33 112m h LYS 62 N 0.18 0.83 -0.78 1.25 3.64 -1.39 -1.01 116.57 119.29 112m h LYS 62 Ca 0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 112m h LYS 62 Cb 0.35 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 112m h LYS 62 CO 0.01 0.57 0.30 0.87 -2.27 0.00 0.00 179.45 178.93 112m h LYS 63 N 0.84 1.16 0.00 1.90 1.57 -1.01 -2.22 116.57 118.82 112m h LYS 63 Ca 0.22 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 112m h LYS 63 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 112m h LYS 63 CO -0.05 0.95 -0.44 1.25 -0.57 0.00 0.00 179.45 180.60 112m h HIS 64 N 1.13 0.00 -0.55 -1.35 2.76 -0.95 -2.32 115.15 113.88 112m h HIS 64 Ca 0.26 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 112m h HIS 64 Cb 0.22 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 112m h HIS 64 CO 0.02 0.44 -0.07 0.78 -1.30 0.00 0.00 177.93 177.79 112m h GLY 65 N 1.91 1.09 1.05 5.26 0.00 -0.61 -0.21 103.07 111.56 112m h GLY 65 Ca -0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.40 112m h GLY 65 CO 0.06 0.77 0.08 -2.08 0.00 0.00 0.00 176.54 175.37 112m h VAL 66 N 0.91 1.26 -0.60 4.60 2.07 -1.19 -0.98 116.25 122.31 112m h VAL 66 Ca 0.15 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 112m h VAL 66 Cb 0.63 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 112m h VAL 66 CO 0.04 0.38 0.22 0.74 0.02 0.00 0.00 177.57 178.97 112m h THR 67 N 0.92 1.24 0.02 2.57 2.02 -1.08 -0.11 112.91 118.49 112m h THR 67 Ca 0.18 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 112m h THR 67 Cb 0.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 112m h THR 67 CO 0.02 0.30 -0.01 0.58 0.37 0.00 0.00 175.52 176.77 112m h VAL 68 N 0.85 1.20 -0.15 3.16 2.07 -0.86 -2.11 116.25 120.42 112m h VAL 68 Ca 0.20 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 112m h VAL 68 Cb 0.24 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 112m h VAL 68 CO -0.01 0.18 -0.23 -0.07 0.02 0.00 0.00 177.57 177.45 112m h LEU 69 N -0.34 0.26 -0.42 2.57 3.38 -1.11 -0.31 115.31 119.34 112m h LEU 69 Ca -0.00 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 112m h LEU 69 Cb 0.32 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 112m h LEU 69 CO 0.01 0.51 -0.41 0.74 0.09 0.00 0.00 178.44 179.37 112m h THR 70 N 0.24 1.28 -0.17 0.22 2.02 -1.00 0.27 112.91 115.77 112m h THR 70 Ca 0.04 -1.58 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 112m h THR 70 Cb 0.55 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 112m h THR 70 CO 0.04 0.53 -0.06 0.00 0.37 0.00 0.00 175.52 176.39 112m h ALA 71 N 0.81 0.23 -0.49 6.16 0.00 -0.96 -1.72 119.26 123.30 112m h ALA 71 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 112m h ALA 71 Cb 0.99 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 112m h ALA 71 CO 0.10 0.03 -0.08 1.25 0.00 0.00 0.00 179.25 180.55 112m h LEU 72 N 0.03 0.86 -0.85 0.00 5.85 -1.04 -2.64 115.31 117.51 112m h LEU 72 Ca 0.04 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 112m h LEU 72 Cb 0.53 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 112m h LEU 72 CO 0.02 0.97 0.45 1.23 -0.34 0.00 0.00 178.44 180.78 112m h GLY 73 N 0.98 1.28 2.00 3.75 0.00 -0.39 -1.12 103.07 109.56 112m h GLY 73 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 112m h GLY 73 CO 0.04 0.57 -0.19 0.00 0.00 0.00 0.00 176.54 176.96 112m h ALA 74 N 1.24 1.31 0.02 3.60 0.00 -1.01 -1.99 119.26 122.44 112m h ALA 74 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 112m h ALA 74 Cb 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.82 112m h ALA 74 CO -0.05 0.23 -0.21 0.82 0.00 0.00 0.00 179.25 180.05 112m h ILE 75 N 0.00 1.65 -0.93 0.00 2.04 -1.00 -3.25 117.51 116.01 112m h ILE 75 Ca -0.00 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.69 112m h ILE 75 Cb 0.44 3.09 -0.05 0.00 -0.74 0.00 0.00 36.82 39.57 112m h ILE 75 CO 0.02 0.58 0.62 -0.07 0.00 0.00 0.00 178.15 179.31 112m h LEU 76 N -0.71 1.07 -1.04 1.44 3.38 -1.11 -1.34 115.31 117.01 112m h LEU 76 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 112m h LEU 76 Cb 1.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.56 112m h LEU 76 CO 0.04 0.77 0.00 0.29 0.09 0.00 0.00 178.44 179.63 112m n LYS 77 N -4.44 0.17 0.07 1.13 5.02 -0.76 -1.17 118.16 118.18 112m n LYS 77 Ca 0.11 0.52 0.13 0.00 -2.02 0.00 0.00 58.31 57.05 112m n LYS 77 Cb 0.02 -1.91 0.46 0.00 -0.02 0.00 0.00 35.03 33.58 112m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 112m n LYS 78 N -2.25 0.18 -3.85 1.97 4.76 -0.51 -4.95 118.16 113.50 112m n LYS 78 Ca 0.00 0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.34 112m n LYS 78 Cb 0.14 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 112m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 112m n LYS 79 N -2.00 -3.70 0.00 1.97 5.02 -0.32 -2.23 118.16 116.89 112m n LYS 79 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 112m n LYS 79 Cb 0.40 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 112m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 112m n GLY 80 N -1.83 2.88 2.47 0.72 0.00 -1.26 -4.94 105.19 103.23 112m n GLY 80 Ca -0.30 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 112m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 112m n HIS 81 N 0.00 2.53 -0.98 1.61 8.25 -0.95 -4.60 115.22 121.09 112m n HIS 81 Ca 0.00 -2.78 0.08 0.00 -0.26 0.00 0.00 57.72 54.76 112m n HIS 81 Cb 0.00 -1.83 0.28 0.00 1.12 0.00 0.00 29.99 29.56 112m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 112m n HIS 82 N 1.74 1.08 -0.06 4.41 1.44 -1.26 -4.74 115.22 117.82 112m n HIS 82 Ca 0.62 -0.86 -0.07 0.00 -2.01 0.00 0.00 57.72 55.40 112m n HIS 82 Cb 0.26 -0.34 -0.01 0.00 0.12 0.00 0.00 29.99 30.02 112m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 112m h GLU 83 N 2.08 -0.10 -0.84 -1.40 9.09 -1.99 -0.63 114.58 120.78 112m h GLU 83 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.43 112m h GLU 83 Cb 1.51 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 28.59 112m h GLU 83 CO 0.26 -0.07 0.56 0.00 0.05 0.00 0.00 179.01 179.81 112m h ALA 84 N 1.11 1.42 0.00 1.06 0.00 -2.00 -0.99 119.26 119.86 112m h ALA 84 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 112m h ALA 84 Cb 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 112m h ALA 84 CO -0.33 0.53 -0.12 0.93 0.00 0.00 0.00 179.25 180.27 112m h GLU 85 N 1.12 0.00 0.12 0.00 3.07 -1.78 -3.28 114.58 113.84 112m h GLU 85 Ca 0.32 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.88 112m h GLU 85 Cb -0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 112m h GLU 85 CO -0.07 0.12 -1.43 -0.07 -1.40 0.00 0.00 179.01 176.15 112m h LEU 86 N 0.00 0.39 -0.20 1.33 4.07 0.20 -3.36 115.31 117.75 112m h LEU 86 Ca -0.00 -0.49 0.04 0.00 0.08 0.00 0.00 57.88 57.50 112m h LEU 86 Cb 0.79 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.33 112m h LEU 86 CO 0.02 1.40 -0.53 0.11 -1.08 0.00 0.00 178.44 178.36 112m h LYS 87 N 0.07 -0.51 0.00 1.13 1.57 -1.47 0.77 116.57 118.13 112m h LYS 87 Ca -0.20 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 112m h LYS 87 Cb 2.00 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.41 112m h LYS 87 CO 0.17 -0.34 -0.33 -1.00 -0.57 0.00 0.00 179.45 177.38 112m h PRO 88 N -0.53 0.00 -0.25 3.15 0.13 -1.78 -2.21 132.00 130.51 112m h PRO 88 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 112m h PRO 88 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 112m h PRO 88 CO -0.47 0.33 -0.54 1.25 -0.23 0.00 0.00 178.00 178.34 112m h LEU 89 N 0.00 0.91 -0.18 1.56 5.85 -1.58 -2.53 115.31 119.33 112m h LEU 89 Ca -0.00 -0.55 -0.22 0.00 0.84 0.00 0.00 57.88 57.94 112m h LEU 89 Cb 0.75 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.53 112m h LEU 89 CO 0.04 1.29 -0.76 0.00 -0.34 0.00 0.00 178.44 178.68 112m h ALA 90 N 0.64 0.33 -0.06 1.25 0.00 -0.79 -2.49 119.26 118.14 112m h ALA 90 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 112m h ALA 90 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 112m h ALA 90 CO 0.12 0.69 0.03 0.37 0.00 0.00 0.00 179.25 180.46 112m h GLN 91 N 0.55 0.08 -0.46 0.00 4.15 -1.42 0.38 115.11 118.39 112m h GLN 91 Ca -0.05 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 112m h GLN 91 Cb 1.39 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 112m h GLN 91 CO 0.16 0.12 0.05 0.66 -1.93 0.00 0.00 178.83 177.89 112m h SER 92 N 0.02 0.76 1.05 -0.69 4.64 -1.52 0.16 113.55 117.96 112m h SER 92 Ca 0.02 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 112m h SER 92 Cb 0.06 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 112m h SER 92 CO -0.00 0.85 -0.24 0.45 -0.87 0.00 0.00 176.83 177.01 112m h HIS 93 N 0.64 0.00 0.00 4.77 3.86 -1.33 0.33 115.15 123.42 112m h HIS 93 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 112m h HIS 93 Cb 0.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 112m h HIS 93 CO 0.03 0.24 -0.45 0.00 0.86 0.00 0.00 177.93 178.61 112m h ALA 94 N 1.76 0.02 -0.03 2.45 0.00 -0.82 0.42 119.26 123.05 112m h ALA 94 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 112m h ALA 94 Cb 0.84 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.05 112m h ALA 94 CO 0.03 0.42 -0.17 1.15 0.00 0.00 0.00 179.25 180.68 112m h THR 95 N -1.00 1.48 0.00 0.00 2.02 -1.08 -3.06 112.91 111.27 112m h THR 95 Ca -0.02 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.48 112m h THR 95 Cb 0.47 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 112m h THR 95 CO -0.01 0.46 -0.01 0.50 0.37 0.00 0.00 175.52 176.83 112m h LYS 96 N -0.41 0.00 0.02 6.66 3.64 -1.25 -3.41 116.57 121.81 112m h LYS 96 Ca -0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 112m h LYS 96 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 112m h LYS 96 CO 0.04 0.00 -1.00 0.45 -2.27 0.00 0.00 179.45 176.66 112m h HIS 97 N -0.30 0.10 -5.21 1.91 3.86 -1.16 -3.49 115.15 110.86 112m h HIS 97 Ca 0.00 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 112m h HIS 97 Cb 0.01 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.47 112m h HIS 97 CO -0.00 1.02 -0.02 1.63 0.86 0.00 0.00 177.93 181.42 112m n LYS 98 N -3.43 -1.25 -3.58 2.45 5.02 0.69 -4.98 118.16 113.07 112m n LYS 98 Ca -0.02 1.42 -0.40 0.00 -2.02 0.00 0.00 58.31 57.29 112m n LYS 98 Cb 0.92 -5.49 -0.11 0.00 -0.02 0.00 0.00 35.03 30.34 112m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 112m s ILE 99 N -3.01 4.82 0.68 -0.18 -1.09 0.11 -4.99 121.20 117.54 112m s ILE 99 Ca 0.01 -0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 57.69 112m s ILE 99 Cb -0.00 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 112m s ILE 99 CO 0.70 -0.12 1.16 -2.16 -1.23 0.00 0.00 174.94 173.30 112m s PRO 100 N 1.62 2.55 0.45 2.79 0.04 -1.26 -4.72 135.00 136.47 112m s PRO 100 Ca 0.04 1.61 0.15 0.00 0.04 0.00 0.00 61.00 62.85 112m s PRO 100 Cb -0.18 -1.90 1.10 0.00 0.04 0.00 0.00 34.50 33.56 112m s PRO 100 CO 0.08 -1.49 2.00 0.82 0.04 0.00 0.00 177.00 178.45 112m h ILE 101 N 0.04 0.89 -0.87 0.56 1.08 -1.93 -1.87 117.51 115.40 112m h ILE 101 Ca -0.48 -0.11 0.11 0.00 -0.39 0.00 0.00 64.86 63.99 112m h ILE 101 Cb 1.27 0.54 -0.08 0.00 -3.07 0.00 0.00 36.82 35.49 112m h ILE 101 CO 0.52 0.06 0.51 0.50 -0.69 0.00 0.00 178.15 179.05 112m h LYS 102 N 0.32 0.79 -0.16 2.37 1.63 -1.91 0.03 116.57 119.64 112m h LYS 102 Ca 0.24 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 112m h LYS 102 Cb 0.54 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 112m h LYS 102 CO -0.06 0.52 -0.37 1.88 -3.45 0.00 0.00 179.45 177.97 112m h TYR 103 N 0.81 0.39 -0.01 1.91 -1.99 -1.70 -1.76 116.97 114.62 112m h TYR 103 Ca 0.43 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.99 112m h TYR 103 Cb 0.45 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 112m h TYR 103 CO -0.05 0.67 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.38 112m h LEU 104 N 0.29 0.03 -0.49 3.88 3.38 -0.99 -1.51 115.31 119.90 112m h LEU 104 Ca 0.03 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 112m h LEU 104 Cb 0.79 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 112m h LEU 104 CO 0.06 0.36 -0.60 -0.33 0.09 0.00 0.00 178.44 178.02 112m h GLU 105 N 0.02 0.52 -0.29 1.13 5.08 -0.62 -2.42 114.58 118.01 112m h GLU 105 Ca 0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 112m h GLU 105 Cb 0.59 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 112m h GLU 105 CO 0.04 0.96 0.13 0.74 -1.00 0.00 0.00 179.01 179.88 112m h PHE 106 N 0.38 0.43 -0.09 4.33 0.04 -0.48 -1.90 116.94 119.66 112m h PHE 106 Ca -0.00 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 112m h PHE 106 Cb 1.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 112m h PHE 106 CO 0.05 0.41 -0.55 0.97 -0.60 0.00 0.00 178.31 178.58 112m h ILE 107 N 0.33 1.36 -0.53 -0.55 2.10 -1.31 -1.65 117.51 117.26 112m h ILE 107 Ca 0.10 -1.86 -0.01 0.00 1.08 0.00 0.00 64.86 64.16 112m h ILE 107 Cb 0.15 1.91 -0.03 0.00 -1.09 0.00 0.00 36.82 37.77 112m h ILE 107 CO -0.01 0.55 0.28 0.28 -1.08 0.00 0.00 178.15 178.17 112m h SER 108 N 0.20 0.65 -0.37 2.19 0.02 -1.28 0.11 113.55 115.08 112m h SER 108 Ca 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 112m h SER 108 Cb 1.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 112m h SER 108 CO 0.09 0.54 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.21 112m h GLU 109 N 0.74 0.67 -0.48 3.45 4.81 -0.96 -2.26 114.58 120.54 112m h GLU 109 Ca 0.19 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 112m h GLU 109 Cb 0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 112m h GLU 109 CO -0.03 0.79 -0.04 0.00 -0.73 0.00 0.00 179.01 179.01 112m h ALA 110 N 0.85 1.03 0.02 2.92 0.00 -0.35 -1.79 119.26 121.94 112m h ALA 110 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 112m h ALA 110 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 112m h ALA 110 CO 0.02 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.68 112m h ILE 111 N 0.77 1.12 -0.60 0.00 2.04 -0.68 -1.93 117.51 118.23 112m h ILE 111 Ca 0.14 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.58 112m h ILE 111 Cb 0.51 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 112m h ILE 111 CO 0.03 0.11 0.37 0.40 0.00 0.00 0.00 178.15 179.06 112m h ILE 112 N -0.22 1.08 -0.32 -0.67 2.04 -1.31 -1.46 117.51 116.66 112m h ILE 112 Ca -0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 112m h ILE 112 Cb 0.21 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 112m h ILE 112 CO 0.00 0.14 0.19 -0.74 0.00 0.00 0.00 178.15 177.74 112m h HIS 113 N 0.74 0.43 -0.51 1.37 2.76 -1.22 -0.89 115.15 117.83 112m h HIS 113 Ca 0.24 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 112m h HIS 113 Cb 0.00 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 112m h HIS 113 CO -0.05 0.33 0.05 0.28 -1.30 0.00 0.00 177.93 177.24 112m h VAL 114 N 0.41 1.26 -0.44 5.26 2.07 -1.14 -1.86 116.25 121.80 112m h VAL 114 Ca 0.12 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 112m h VAL 114 Cb 0.03 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 112m h VAL 114 CO -0.02 0.36 -0.05 -0.07 0.02 0.00 0.00 177.57 177.81 112m h LEU 115 N 0.74 0.73 -0.45 2.57 3.38 -1.13 -0.89 115.31 120.27 112m h LEU 115 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 112m h LEU 115 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 112m h LEU 115 CO 0.02 0.83 0.18 -0.74 0.09 0.00 0.00 178.44 178.82 112m h HIS 116 N 0.70 0.68 0.10 1.13 2.76 -0.97 0.55 115.15 120.09 112m h HIS 116 Ca 0.13 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 112m h HIS 116 Cb 0.50 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.25 112m h HIS 116 CO 0.02 0.58 -0.05 0.77 -1.30 0.00 0.00 177.93 177.96 112m h SER 117 N 0.58 -0.12 1.47 3.26 0.02 -0.98 -3.16 113.55 114.63 112m h SER 117 Ca 0.15 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 112m h SER 117 Cb 0.18 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 112m h SER 117 CO -0.01 0.28 -0.48 0.03 -1.14 0.00 0.00 176.83 175.50 112m h ARG 118 N -0.53 0.00 -1.88 3.45 3.08 -1.21 -3.38 114.38 113.91 112m h ARG 118 Ca -0.01 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.53 112m h ARG 118 Cb 0.43 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.07 112m h ARG 118 CO 0.02 0.48 -0.99 0.72 -1.07 0.00 0.00 179.97 179.13 112m n HIS 119 N -3.24 1.78 -0.30 3.04 8.25 0.18 -4.92 115.22 120.01 112m n HIS 119 Ca 0.02 -3.64 0.02 0.00 -0.26 0.00 0.00 57.72 53.86 112m n HIS 119 Cb 0.72 -0.40 0.21 0.00 1.12 0.00 0.00 29.99 31.63 112m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 112m h PRO 120 N 2.95 1.08 0.00 -0.41 0.13 -1.69 0.30 132.00 134.37 112m h PRO 120 Ca 0.10 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 112m h PRO 120 Cb 0.86 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 112m h PRO 120 CO 0.63 0.72 -0.19 0.78 -0.23 0.00 0.00 178.00 179.70 112m h GLY 121 N 1.11 0.00 -1.17 1.56 0.00 -1.91 -2.73 103.07 99.94 112m h GLY 121 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 112m h GLY 121 CO -0.11 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.13 112m n ASN 122 N -3.84 2.79 -3.04 0.19 5.03 -0.74 -4.68 115.26 110.96 112m n ASN 122 Ca -0.02 -1.96 -0.20 0.00 0.87 0.00 0.00 54.58 53.28 112m n ASN 122 Cb 0.29 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 38.82 112m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 112m n PHE 123 N 0.46 1.49 -1.16 3.10 7.35 0.02 -4.63 117.46 124.10 112m n PHE 123 Ca 0.11 -3.74 -0.11 0.00 -0.76 0.00 0.00 57.45 52.94 112m n PHE 123 Cb 0.40 -0.42 0.08 0.00 0.35 0.00 0.00 39.48 39.90 112m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 112m n GLY 124 N 0.07 -1.65 0.31 7.13 0.00 -1.25 -4.63 105.19 105.16 112m n GLY 124 Ca 0.26 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.68 112m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 112m h ALA 125 N -2.03 1.16 -0.29 4.61 0.00 -1.98 -0.59 119.26 120.14 112m h ALA 125 Ca -0.16 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 112m h ALA 125 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 112m h ALA 125 CO 0.11 0.12 0.01 -0.44 0.00 0.00 0.00 179.25 179.04 112m h ASP 126 N 0.81 0.50 -0.66 0.00 3.32 -1.99 -1.53 116.42 116.86 112m h ASP 126 Ca 0.39 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 112m h ASP 126 Cb 0.33 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 112m h ASP 126 CO -0.24 0.68 0.20 0.00 -1.72 0.00 0.00 179.24 178.16 112m h ALA 127 N 0.84 1.06 -0.18 3.45 0.00 -1.79 -1.90 119.26 120.74 112m h ALA 127 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 112m h ALA 127 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 112m h ALA 127 CO 0.01 0.63 -0.35 0.37 0.00 0.00 0.00 179.25 179.92 112m h GLN 128 N 1.02 0.38 -0.51 0.00 4.15 -1.03 -0.60 115.11 118.52 112m h GLN 128 Ca 0.22 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 112m h GLN 128 Cb 0.31 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 112m h GLN 128 CO -0.01 0.68 -0.06 0.78 -1.93 0.00 0.00 178.83 178.30 112m h GLY 129 N 1.10 1.01 1.06 2.39 0.00 -0.85 -0.73 103.07 107.05 112m h GLY 129 Ca 0.04 -0.79 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 112m h GLY 129 CO 0.06 0.73 -0.08 0.00 0.00 0.00 0.00 176.54 177.25 112m h ALA 130 N 0.92 0.71 -0.72 3.60 0.00 -1.13 -1.51 119.26 121.13 112m h ALA 130 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 112m h ALA 130 Cb 0.60 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 112m h ALA 130 CO 0.04 0.59 0.20 1.98 0.00 0.00 0.00 179.25 182.06 112m h MET 131 N 0.83 1.14 -0.70 0.00 -1.53 -0.96 -1.51 114.93 112.20 112m h MET 131 Ca 0.14 -0.26 -0.04 0.00 -3.44 0.00 0.00 59.70 56.10 112m h MET 131 Cb 0.63 -0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 112m h MET 131 CO 0.04 0.98 0.29 -0.97 0.14 0.00 0.00 176.91 177.40 112m h ASN 132 N 1.08 0.96 -0.65 1.39 -1.24 -0.91 -1.28 115.58 114.92 112m h ASN 132 Ca 0.23 -0.17 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 112m h ASN 132 Cb 0.34 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 112m h ASN 132 CO -0.00 0.86 0.22 0.11 -1.29 0.00 0.00 177.43 177.33 112m h LYS 133 N 1.00 1.01 -0.67 6.67 1.57 -0.95 0.24 116.57 125.43 112m h LYS 133 Ca 0.23 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 112m h LYS 133 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 112m h LYS 133 CO -0.02 0.87 0.25 0.00 -0.57 0.00 0.00 179.45 179.98 112m h ALA 134 N 1.09 0.88 -0.03 3.86 0.00 -0.94 -0.47 119.26 123.65 112m h ALA 134 Ca 0.21 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 112m h ALA 134 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 112m h ALA 134 CO -0.01 0.52 -0.70 -0.07 0.00 0.00 0.00 179.25 178.98 112m h LEU 135 N 0.96 0.18 -0.32 0.00 3.38 -1.08 -2.30 115.31 116.13 112m h LEU 135 Ca 0.22 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 112m h LEU 135 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 112m h LEU 135 CO -0.01 0.83 -0.28 -0.33 0.09 0.00 0.00 178.44 178.73 112m h GLU 136 N 0.10 0.76 -0.65 1.13 5.08 -0.68 -0.93 114.58 119.39 112m h GLU 136 Ca -0.02 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 112m h GLU 136 Cb 1.25 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 112m h GLU 136 CO 0.10 1.01 0.32 1.25 -1.00 0.00 0.00 179.01 180.69 112m h LEU 137 N 0.52 0.83 -0.12 1.33 5.85 -1.06 -0.72 115.31 121.94 112m h LEU 137 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 112m h LEU 137 Cb 0.85 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 112m h LEU 137 CO 0.07 0.71 0.01 0.15 -0.34 0.00 0.00 178.44 179.04 112m h PHE 138 N 0.92 0.22 -0.32 1.25 3.57 -1.19 -2.26 116.94 119.13 112m h PHE 138 Ca 0.23 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 112m h PHE 138 Cb 0.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 112m h PHE 138 CO 0.01 0.41 -0.08 0.00 -2.23 0.00 0.00 178.31 176.42 112m h ARG 139 N -0.03 0.53 -0.17 1.11 3.08 -0.83 -1.02 114.38 117.05 112m h ARG 139 Ca 0.04 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 112m h ARG 139 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 112m h ARG 139 CO 0.00 0.62 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.26 112m h LYS 140 N 0.50 0.32 -0.28 0.04 3.64 -1.10 -0.31 116.57 119.39 112m h LYS 140 Ca 0.10 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 112m h LYS 140 Cb 0.45 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 112m h LYS 140 CO 0.02 0.60 -0.29 -0.44 -2.27 0.00 0.00 179.45 177.07 112m h ASP 141 N 0.03 0.58 -0.52 4.20 3.32 -1.29 -0.63 116.42 122.10 112m h ASP 141 Ca 0.04 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 112m h ASP 141 Cb 0.48 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 112m h ASP 141 CO 0.02 0.85 -0.03 0.40 -1.72 0.00 0.00 179.24 178.76 112m h ILE 142 N 0.49 1.27 -0.41 0.35 1.08 -1.12 -1.51 117.51 117.65 112m h ILE 142 Ca 0.06 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 112m h ILE 142 Cb 0.75 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 112m h ILE 142 CO 0.06 0.40 0.17 0.00 -0.69 0.00 0.00 178.15 178.09 112m h ALA 143 N 0.94 0.54 -0.79 1.87 0.00 -0.78 0.78 119.26 121.81 112m h ALA 143 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 112m h ALA 143 Cb 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 112m h ALA 143 CO 0.03 0.14 0.52 0.00 0.00 0.00 0.00 179.25 179.95 112m h ALA 144 N 1.01 1.01 -0.32 0.00 0.00 -0.96 -2.00 119.26 118.00 112m h ALA 144 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 112m h ALA 144 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 112m h ALA 144 CO -0.01 0.43 -0.22 0.87 0.00 0.00 0.00 179.25 180.32 112m h LYS 145 N 1.08 0.60 -0.24 0.00 6.56 -0.88 -2.87 116.57 120.82 112m h LYS 145 Ca 0.29 -0.22 0.03 0.00 -1.06 0.00 0.00 60.65 59.68 112m h LYS 145 Cb -0.12 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.47 112m h LYS 145 CO -0.06 0.78 0.06 1.88 -2.06 0.00 0.00 179.45 180.05 112m h TYR 146 N 0.53 0.10 -0.41 -1.35 -1.99 -0.16 -2.05 116.97 111.65 112m h TYR 146 Ca 0.08 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.89 112m h TYR 146 Cb 0.67 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.33 112m h TYR 146 CO 0.03 0.04 0.08 -0.22 -0.00 0.00 0.00 178.16 178.08 112m h LYS 147 N 0.16 0.20 -0.41 4.88 3.64 -1.19 -0.79 116.57 123.05 112m h LYS 147 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 112m h LYS 147 Cb 0.09 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 112m h LYS 147 CO -0.13 0.13 0.20 0.93 -2.27 0.00 0.00 179.45 178.31 112m h GLU 148 N 0.21 0.57 -0.00 1.90 5.08 -1.26 -1.19 114.58 119.89 112m h GLU 148 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 112m h GLU 148 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 112m h GLU 148 CO -0.26 0.45 -0.02 1.28 -1.00 0.00 0.00 179.01 179.45 112m n LEU 149 N -4.41 0.07 -0.15 1.33 4.77 -0.76 -4.91 117.00 112.94 112m n LEU 149 Ca 0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 112m n LEU 149 Cb 0.12 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 112m n LEU 149 CO 0.37 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 112m n GLY 150 N 1.31 0.87 0.00 -0.72 0.00 -0.45 -5.01 105.19 101.19 112m n GLY 150 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 112m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 112m n TYR 151 N -2.65 0.00 -2.98 1.61 9.36 -0.38 -5.01 117.16 117.12 112m n TYR 151 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 112m n TYR 151 Cb 0.37 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.09 112m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 112m n GLN 152 N -0.95 -2.37 0.00 2.98 -0.06 -1.19 -4.83 117.38 110.97 112m n GLN 152 Ca 0.00 2.03 0.13 0.00 -2.00 0.00 0.00 57.00 57.16 112m n GLN 152 Cb 0.00 -4.74 0.37 0.00 -4.06 0.00 0.00 30.24 21.81 112m n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27