#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 102m s VAL 1 N 0.00 -0.04 0.24 3.17 1.01 -1.26 -5.07 120.40 118.45 102m s VAL 1 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 102m s VAL 1 Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 36.38 36.19 102m s VAL 1 CO 0.00 0.06 0.54 -0.76 0.00 0.00 0.00 175.10 174.95 102m s LEU 2 N 0.86 4.14 0.69 3.92 1.02 -1.26 -5.09 118.68 122.96 102m s LEU 2 Ca -0.07 0.85 -0.08 0.00 0.02 0.00 0.00 54.13 54.85 102m s LEU 2 Cb -0.10 -3.63 0.04 0.00 0.02 0.00 0.00 46.19 42.53 102m s LEU 2 CO -0.03 -0.10 1.02 -0.94 0.02 0.00 0.00 176.35 176.32 102m s SER 3 N -2.57 5.09 0.29 2.29 1.04 -1.26 -4.91 113.70 113.68 102m s SER 3 Ca 0.46 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 102m s SER 3 Cb -0.11 -1.44 0.42 0.00 0.10 0.00 0.00 66.02 64.99 102m s SER 3 CO 0.24 -1.45 1.92 -0.08 0.98 0.00 0.00 173.24 174.85 102m h GLU 4 N -0.56 1.02 -0.80 4.02 4.57 -1.99 -1.99 114.58 118.86 102m h GLU 4 Ca -0.45 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 102m h GLU 4 Cb 1.29 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 102m h GLU 4 CO 0.62 0.74 0.49 0.78 -1.18 0.00 0.00 179.01 180.46 102m h GLY 5 N 1.07 1.15 1.06 1.92 0.00 -1.99 -0.68 103.07 105.60 102m h GLY 5 Ca 0.27 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 102m h GLY 5 CO -0.05 0.45 -0.36 0.83 0.00 0.00 0.00 176.54 177.41 102m h GLU 6 N 1.10 0.83 -0.47 4.80 5.08 -1.80 -2.68 114.58 121.44 102m h GLU 6 Ca 0.29 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 102m h GLU 6 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 102m h GLU 6 CO -0.06 1.09 0.14 -1.49 -1.00 0.00 0.00 179.01 177.69 102m h TRP 7 N 0.62 0.71 -0.53 4.33 4.06 -0.88 -2.08 115.95 122.18 102m h TRP 7 Ca 0.05 -0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 102m h TRP 7 Cb 0.95 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 102m h TRP 7 CO 0.07 0.59 0.01 1.96 -3.56 0.00 0.00 178.44 177.50 102m h GLN 8 N 0.68 0.89 -0.53 0.49 1.08 -0.99 0.56 115.11 117.28 102m h GLN 8 Ca 0.16 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 102m h GLN 8 Cb 0.22 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 102m h GLN 8 CO -0.01 0.88 0.07 -0.07 -0.95 0.00 0.00 178.83 178.75 102m h LEU 9 N 0.83 0.86 -0.03 1.46 3.38 -1.10 -0.62 115.31 120.08 102m h LEU 9 Ca 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 102m h LEU 9 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 102m h LEU 9 CO 0.02 0.91 0.01 0.58 0.09 0.00 0.00 178.44 180.05 102m h VAL 10 N 0.77 1.16 0.00 1.22 2.07 -1.09 -2.91 116.25 117.48 102m h VAL 10 Ca 0.16 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 102m h VAL 10 Cb 0.43 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 102m h VAL 10 CO 0.01 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 102m h LEU 11 N -0.14 0.00 -0.13 2.57 3.38 -0.86 -1.48 115.31 118.65 102m h LEU 11 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 102m h LEU 11 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 102m h LEU 11 CO -0.00 0.19 -0.09 -0.74 0.09 0.00 0.00 178.44 177.89 102m h HIS 12 N 0.00 0.34 -0.02 1.13 2.76 -1.01 -1.80 115.15 116.56 102m h HIS 12 Ca -0.00 -0.09 -0.16 0.00 -2.20 0.00 0.00 60.37 57.92 102m h HIS 12 Cb 0.73 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 102m h HIS 12 CO 0.00 0.66 -0.72 -0.24 -1.30 0.00 0.00 177.93 176.33 102m h VAL 13 N -0.07 1.47 -0.19 5.26 3.04 -1.43 -3.02 116.25 121.31 102m h VAL 13 Ca 0.03 -2.35 -0.05 0.00 -1.01 0.00 0.00 66.70 63.32 102m h VAL 13 Cb 0.58 2.26 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 102m h VAL 13 CO 0.02 0.68 -0.10 -0.25 -1.01 0.00 0.00 177.57 176.91 102m h TRP 14 N 0.07 0.30 0.00 3.17 2.91 -1.18 -1.07 115.95 120.15 102m h TRP 14 Ca -0.02 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.93 102m h TRP 14 Cb 1.27 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 102m h TRP 14 CO 0.01 0.39 -0.19 0.00 -1.03 0.00 0.00 178.44 177.63 102m h ALA 15 N 1.63 1.64 -0.10 2.65 0.00 -1.19 -0.81 119.26 123.06 102m h ALA 15 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 102m h ALA 15 Cb 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 102m h ALA 15 CO 0.02 0.23 -0.56 0.87 0.00 0.00 0.00 179.25 179.82 102m h LYS 16 N 0.00 0.56 -0.83 0.00 1.79 -1.26 -3.16 116.57 113.66 102m h LYS 16 Ca -0.00 -0.46 0.05 0.00 -2.18 0.00 0.00 60.65 58.06 102m h LYS 16 Cb 0.34 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 102m h LYS 16 CO 0.02 1.09 0.52 0.28 -1.08 0.00 0.00 179.45 180.28 102m h VAL 17 N 0.18 1.06 0.00 0.50 2.07 -0.74 -2.34 116.25 116.98 102m h VAL 17 Ca -0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.15 102m h VAL 17 Cb 1.20 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 102m h VAL 17 CO 0.11 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 102m n GLU 18 N -4.62 0.08 0.24 1.57 1.02 -0.37 -1.59 120.64 116.97 102m n GLU 18 Ca 0.11 0.43 0.15 0.00 -0.02 0.00 0.00 57.16 57.84 102m n GLU 18 Cb 0.15 -1.69 0.55 0.00 -0.02 0.00 0.00 31.44 30.43 102m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 102m h ALA 19 N 2.22 1.00 -1.17 0.62 0.00 -1.45 -3.35 119.26 117.13 102m h ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 102m h ALA 19 Cb 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.70 102m h ALA 19 CO 0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.02 102m n ASP 20 N -2.96 -1.68 -0.03 0.00 2.03 -0.62 -5.02 116.55 108.25 102m n ASP 20 Ca 0.02 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 52.32 102m n ASP 20 Cb 0.35 0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 41.39 102m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 102m h VAL 21 N 3.31 1.06 -0.78 5.18 2.07 -1.70 -2.36 116.25 123.02 102m h VAL 21 Ca 0.02 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 102m h VAL 21 Cb 0.98 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 102m h VAL 21 CO 0.32 0.05 0.40 0.00 0.02 0.00 0.00 177.57 178.37 102m h ALA 22 N 1.05 1.01 -0.52 1.67 0.00 -1.92 0.45 119.26 120.99 102m h ALA 22 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 102m h ALA 22 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 102m h ALA 22 CO -0.01 0.54 -0.01 0.78 0.00 0.00 0.00 179.25 180.55 102m h GLY 23 N 1.10 1.01 1.30 0.00 0.00 -1.92 -1.40 103.07 103.15 102m h GLY 23 Ca 0.27 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 102m h GLY 23 CO -0.04 0.69 -0.40 0.45 0.00 0.00 0.00 176.54 177.24 102m h HIS 24 N 0.80 0.92 -0.58 5.60 3.86 -1.24 -2.28 115.15 122.24 102m h HIS 24 Ca 0.15 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 102m h HIS 24 Cb 0.55 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 102m h HIS 24 CO 0.04 1.05 0.37 0.78 0.86 0.00 0.00 177.93 181.03 102m h GLY 25 N 0.90 0.83 0.83 2.45 0.00 -0.66 -1.09 103.07 106.33 102m h GLY 25 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 102m h GLY 25 CO 0.09 0.26 -0.10 1.46 0.00 0.00 0.00 176.54 178.25 102m h GLN 26 N 0.74 -0.27 -0.71 4.80 4.20 -1.19 -2.38 115.11 120.30 102m h GLN 26 Ca 0.23 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.07 102m h GLN 26 Cb -0.03 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 102m h GLN 26 CO -0.08 -0.05 0.32 -0.44 -0.67 0.00 0.00 178.83 177.91 102m h ASP 27 N -0.45 0.36 -0.09 1.46 3.32 -1.25 -0.77 116.42 119.00 102m h ASP 27 Ca -0.03 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 102m h ASP 27 Cb 0.34 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 102m h ASP 27 CO 0.05 0.18 0.01 0.40 -1.72 0.00 0.00 179.24 178.16 102m h ILE 28 N 0.51 1.23 -0.61 0.35 2.04 -1.17 -1.49 117.51 118.36 102m h ILE 28 Ca 0.37 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 102m h ILE 28 Cb 0.47 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 102m h ILE 28 CO -0.33 0.20 0.02 -0.07 0.00 0.00 0.00 178.15 177.97 102m h LEU 29 N -0.09 1.04 -0.60 1.44 3.38 -1.21 -0.69 115.31 118.58 102m h LEU 29 Ca 0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 102m h LEU 29 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 102m h LEU 29 CO 0.00 1.08 0.13 0.40 0.09 0.00 0.00 178.44 180.14 102m h ILE 30 N 0.98 1.25 -0.39 1.22 2.04 -1.16 -0.35 117.51 121.10 102m h ILE 30 Ca 0.18 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 102m h ILE 30 Cb 0.54 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 102m h ILE 30 CO 0.03 0.35 0.25 -0.09 0.00 0.00 0.00 178.15 178.68 102m h ARG 31 N 0.88 0.53 -0.14 2.37 9.65 -1.03 -0.67 114.38 125.97 102m h ARG 31 Ca 0.18 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 102m h ARG 31 Cb 0.38 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 102m h ARG 31 CO 0.01 0.38 0.03 1.25 2.80 0.00 0.00 179.97 184.44 102m h LEU 32 N 0.52 0.02 -1.17 3.80 5.85 -0.74 -0.93 115.31 122.66 102m h LEU 32 Ca 0.14 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 102m h LEU 32 Cb -0.02 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 102m h LEU 32 CO -0.03 0.03 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.50 102m h PHE 33 N 0.10 0.13 0.05 1.25 0.04 -0.84 0.14 116.94 117.81 102m h PHE 33 Ca 0.06 -0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.55 102m h PHE 33 Cb 0.05 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.18 102m h PHE 33 CO -0.12 0.45 -1.07 0.87 -0.60 0.00 0.00 178.31 177.85 102m h LYS 34 N 0.11 0.47 0.08 1.51 1.57 -0.87 -2.58 116.57 116.85 102m h LYS 34 Ca 0.01 -0.57 -0.27 0.00 -1.87 0.00 0.00 60.65 57.95 102m h LYS 34 Cb 0.67 0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.17 102m h LYS 34 CO 0.05 1.21 -1.14 0.77 -0.57 0.00 0.00 179.45 179.77 102m h SER 35 N 0.24 0.72 -2.36 0.86 0.02 -1.01 -3.40 113.55 108.62 102m h SER 35 Ca -0.12 -0.64 -0.59 0.00 -0.84 0.00 0.00 61.79 59.60 102m h SER 35 Cb 1.73 -0.23 -0.39 0.00 0.14 0.00 0.00 62.40 63.65 102m h SER 35 CO 0.19 1.46 -0.95 1.41 -1.14 0.00 0.00 176.83 177.81 102m n HIS 36 N -3.75 -0.15 -0.08 3.45 8.25 0.49 -4.99 115.22 118.44 102m n HIS 36 Ca -0.11 -3.51 0.26 0.00 -0.26 0.00 0.00 57.72 54.10 102m n HIS 36 Cb 0.94 -0.00 0.71 0.00 1.12 0.00 0.00 29.99 32.76 102m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 102m h PRO 37 N 5.19 0.00 -0.14 -0.41 0.11 -1.66 -0.67 132.00 134.43 102m h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 102m h PRO 37 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 102m h PRO 37 CO 0.45 0.00 0.02 1.05 -0.21 0.00 0.00 178.00 179.31 102m h GLU 38 N 0.00 0.19 0.00 1.05 9.09 -1.93 -2.14 114.58 120.84 102m h GLU 38 Ca 0.35 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.70 102m h GLU 38 Cb 1.63 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.69 102m h GLU 38 CO -0.00 0.19 -0.19 1.79 0.05 0.00 0.00 179.01 180.85 102m h THR 39 N 0.19 0.87 0.00 -1.06 1.35 -1.47 -2.64 112.91 110.16 102m h THR 39 Ca 0.05 -0.72 -0.04 0.00 -0.55 0.00 0.00 66.41 65.16 102m h THR 39 Cb 0.10 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 102m h THR 39 CO -0.00 0.18 -0.17 0.25 -0.25 0.00 0.00 175.52 175.53 102m h LEU 40 N 0.00 0.00 -2.64 3.87 5.85 -1.55 -2.73 115.31 118.11 102m h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 102m h LEU 40 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 102m h LEU 40 CO 0.02 0.17 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.96 102m h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.60 -2.14 114.58 117.17 102m h GLU 41 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 102m h GLU 41 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 102m h GLU 41 CO 0.02 0.01 -0.15 0.87 -1.00 0.00 0.00 179.01 178.76 102m h LYS 42 N 0.00 0.00 -4.21 2.33 1.79 -1.67 -3.38 116.57 111.43 102m h LYS 42 Ca -0.00 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.71 102m h LYS 42 Cb 0.03 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.44 102m h LYS 42 CO 0.00 0.15 0.51 -0.06 -1.08 0.00 0.00 179.45 178.97 102m s PHE 43 N -3.52 3.66 0.47 -1.35 0.40 -0.81 -4.89 117.98 111.95 102m s PHE 43 Ca 0.02 -1.99 0.21 0.00 -0.60 0.00 0.00 56.93 54.57 102m s PHE 43 Cb 0.09 -4.01 1.21 0.00 0.51 0.00 0.00 43.02 40.83 102m s PHE 43 CO 0.62 -1.16 1.93 -0.44 0.70 0.00 0.00 175.22 176.87 102m h ASP 44 N 7.77 0.23 -0.67 1.36 3.32 -1.83 0.85 116.42 127.44 102m h ASP 44 Ca 0.16 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 102m h ASP 44 Cb 0.98 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 102m h ASP 44 CO 0.95 0.11 0.38 -0.09 -1.72 0.00 0.00 179.24 178.87 102m h ARG 45 N 0.24 0.95 0.00 3.56 2.43 -1.95 -3.31 114.38 116.30 102m h ARG 45 Ca 0.36 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 102m h ARG 45 Cb 1.05 -0.19 -0.31 0.00 -0.42 0.00 0.00 29.97 30.10 102m h ARG 45 CO -0.08 0.70 -0.92 1.97 -1.51 0.00 0.00 179.97 180.13 102m n PHE 46 N -4.37 0.00 0.31 2.20 1.16 -0.71 -4.84 117.46 111.21 102m n PHE 46 Ca 0.07 -0.61 0.20 0.00 -1.87 0.00 0.00 57.45 55.24 102m n PHE 46 Cb 0.10 -0.16 1.05 0.00 -1.61 0.00 0.00 39.48 38.86 102m n PHE 46 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 102m h LYS 47 N 0.92 0.00 -0.00 3.97 3.64 -0.96 -2.71 116.57 121.44 102m h LYS 47 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 102m h LYS 47 Cb 1.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 102m h LYS 47 CO 0.08 0.00 -0.12 -2.39 -2.27 0.00 0.00 179.45 174.75 102m n HIS 48 N -2.96 0.00 -1.74 1.91 1.44 -1.26 -4.84 115.22 107.76 102m n HIS 48 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 102m n HIS 48 Cb 0.11 -0.42 -0.03 0.00 0.12 0.00 0.00 29.99 29.77 102m n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 102m s LEU 49 N -2.95 4.38 -0.20 2.39 1.43 -1.02 -4.92 118.68 117.78 102m s LEU 49 Ca 0.15 2.82 0.16 0.00 -1.03 0.00 0.00 54.13 56.23 102m s LEU 49 Cb 0.19 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.58 102m s LEU 49 CO 0.56 -0.97 0.05 0.29 0.23 0.00 0.00 176.35 176.52 102m n LYS 50 N 4.46 0.68 -4.41 1.70 5.02 -1.26 -5.02 118.16 119.32 102m n LYS 50 Ca 0.16 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 102m n LYS 50 Cb 0.36 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 102m n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 102m s THR 51 N -2.50 1.07 0.29 -0.18 -4.23 -1.26 -5.04 115.64 103.79 102m s THR 51 Ca -0.13 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 102m s THR 51 Cb 0.06 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 71.27 102m s THR 51 CO 0.81 -0.04 1.76 -0.08 -0.54 0.00 0.00 174.62 176.52 102m h GLU 52 N 2.20 0.50 -0.55 3.99 4.81 -1.99 -1.53 114.58 122.01 102m h GLU 52 Ca -0.40 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 102m h GLU 52 Cb 1.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 102m h GLU 52 CO 0.67 0.67 0.29 0.00 -0.73 0.00 0.00 179.01 179.91 102m h ALA 53 N 1.35 0.71 -0.66 2.92 0.00 -1.99 0.63 119.26 122.22 102m h ALA 53 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 102m h ALA 53 Cb 0.59 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 102m h ALA 53 CO 0.04 0.25 0.08 0.93 0.00 0.00 0.00 179.25 180.55 102m h GLU 54 N 0.74 1.11 -0.60 0.00 5.08 -1.85 -2.52 114.58 116.55 102m h GLU 54 Ca 0.19 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 102m h GLU 54 Cb 0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 102m h GLU 54 CO -0.03 1.03 0.27 0.52 -1.00 0.00 0.00 179.01 179.81 102m h MET 55 N 1.04 0.87 -0.06 2.33 2.86 -0.86 -2.17 114.93 118.94 102m h MET 55 Ca 0.20 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 102m h MET 55 Cb 0.48 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 102m h MET 55 CO 0.02 0.72 -0.14 0.87 1.06 0.00 0.00 176.91 179.44 102m h LYS 56 N 0.82 0.09 0.00 1.72 1.57 -0.73 -2.45 116.57 117.59 102m h LYS 56 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 102m h LYS 56 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 102m h LYS 56 CO -0.02 0.23 -0.39 0.00 -0.57 0.00 0.00 179.45 178.71 102m n ALA 57 N -2.50 2.86 -2.48 3.86 0.00 -0.96 -4.89 120.51 116.40 102m n ALA 57 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 102m n ALA 57 Cb 0.23 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 102m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 102m s SER 58 N -3.80 6.99 0.22 0.00 0.15 -0.85 -4.91 113.70 111.50 102m s SER 58 Ca 0.09 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.40 102m s SER 58 Cb 0.15 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 62.11 102m s SER 58 CO 0.66 -0.73 1.52 -0.08 1.20 0.00 0.00 173.24 175.82 102m h GLU 59 N 7.98 0.25 -0.62 5.44 4.57 -1.90 -2.55 114.58 127.75 102m h GLU 59 Ca -0.25 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 57.64 102m h GLU 59 Cb 1.10 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 102m h GLU 59 CO 0.97 0.82 0.01 -0.44 -1.18 0.00 0.00 179.01 179.19 102m h ASP 60 N 0.18 1.06 -0.35 1.04 3.32 -1.96 -1.44 116.42 118.28 102m h ASP 60 Ca -0.01 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 102m h ASP 60 Cb 1.18 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 102m h ASP 60 CO 0.10 1.10 -0.27 0.25 -1.72 0.00 0.00 179.24 178.70 102m h LEU 61 N 1.00 0.84 -0.67 1.55 6.46 -1.87 -2.09 115.31 120.52 102m h LEU 61 Ca 0.18 -0.45 0.02 0.00 -0.12 0.00 0.00 57.88 57.51 102m h LEU 61 Cb 0.55 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 102m h LEU 61 CO 0.03 1.11 0.43 0.50 -0.62 0.00 0.00 178.44 179.89 102m h LYS 62 N 0.58 0.85 -0.53 1.25 3.64 -1.32 -0.97 116.57 120.07 102m h LYS 62 Ca 0.06 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 102m h LYS 62 Cb 0.84 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 102m h LYS 62 CO 0.07 0.56 0.14 0.87 -2.27 0.00 0.00 179.45 178.82 102m h LYS 63 N 0.87 0.81 -0.48 1.90 1.57 -1.16 -1.57 116.57 118.51 102m h LYS 63 Ca 0.26 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 102m h LYS 63 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 102m h LYS 63 CO -0.08 0.72 -0.09 0.00 -0.57 0.00 0.00 179.45 179.43 102m h ALA 64 N 1.37 0.93 -0.55 3.86 0.00 -0.65 -1.59 119.26 122.64 102m h ALA 64 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 102m h ALA 64 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 102m h ALA 64 CO -0.00 0.62 0.03 0.78 0.00 0.00 0.00 179.25 180.68 102m h GLY 65 N 0.97 1.02 1.25 0.00 0.00 -0.62 -1.22 103.07 104.47 102m h GLY 65 Ca 0.13 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 102m h GLY 65 CO 0.04 0.67 0.12 -2.08 0.00 0.00 0.00 176.54 175.29 102m h VAL 66 N 0.83 1.24 -0.45 4.60 2.07 -1.08 -1.68 116.25 121.78 102m h VAL 66 Ca 0.16 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 102m h VAL 66 Cb 0.50 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 102m h VAL 66 CO 0.02 0.34 0.08 0.74 0.02 0.00 0.00 177.57 178.77 102m h THR 67 N 0.89 1.24 -0.09 2.57 2.02 -1.05 -0.82 112.91 117.68 102m h THR 67 Ca 0.19 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 102m h THR 67 Cb 0.35 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 102m h THR 67 CO 0.00 0.31 0.04 0.58 0.37 0.00 0.00 175.52 176.83 102m h VAL 68 N 0.61 1.11 -0.37 3.16 2.07 -0.94 -2.15 116.25 119.75 102m h VAL 68 Ca 0.14 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 102m h VAL 68 Cb 0.38 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 102m h VAL 68 CO 0.01 0.10 -0.24 -0.07 0.02 0.00 0.00 177.57 177.38 102m h LEU 69 N 0.01 0.76 -0.54 2.57 3.38 -1.23 -0.88 115.31 119.39 102m h LEU 69 Ca 0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 102m h LEU 69 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 102m h LEU 69 CO -0.00 0.98 0.10 0.74 0.09 0.00 0.00 178.44 180.34 102m h THR 70 N 0.65 1.25 -0.31 0.22 2.02 -1.11 0.17 112.91 115.80 102m h THR 70 Ca 0.09 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 102m h THR 70 Cb 0.75 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 102m h THR 70 CO 0.06 0.34 -0.16 0.00 0.37 0.00 0.00 175.52 176.14 102m h ALA 71 N 0.99 0.44 -0.51 6.16 0.00 -1.24 -2.37 119.26 122.74 102m h ALA 71 Ca 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 102m h ALA 71 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 102m h ALA 71 CO 0.01 0.35 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 102m h LEU 72 N 0.42 0.90 -0.93 0.00 5.85 -1.07 -2.63 115.31 117.85 102m h LEU 72 Ca 0.07 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 102m h LEU 72 Cb 0.69 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 102m h LEU 72 CO 0.05 1.00 0.36 1.23 -0.34 0.00 0.00 178.44 180.74 102m h GLY 73 N 0.97 1.21 1.45 3.75 0.00 -0.60 -0.25 103.07 109.60 102m h GLY 73 Ca 0.14 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 102m h GLY 73 CO 0.04 0.57 -0.04 0.00 0.00 0.00 0.00 176.54 177.11 102m h ALA 74 N 1.28 1.17 -0.08 3.60 0.00 -1.15 -1.86 119.26 122.23 102m h ALA 74 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 102m h ALA 74 Cb 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 102m h ALA 74 CO -0.03 0.53 -0.07 0.82 0.00 0.00 0.00 179.25 180.50 102m h ILE 75 N 0.63 1.36 -0.75 0.00 2.04 -1.05 -3.16 117.51 116.58 102m h ILE 75 Ca 0.12 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 102m h ILE 75 Cb 0.46 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 102m h ILE 75 CO 0.02 0.33 0.42 -0.07 0.00 0.00 0.00 178.15 178.85 102m h LEU 76 N -0.24 0.92 -0.86 1.44 3.38 -0.88 -1.80 115.31 117.27 102m h LEU 76 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 102m h LEU 76 Cb 0.57 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 102m h LEU 76 CO 0.02 0.73 0.00 0.29 0.09 0.00 0.00 178.44 179.57 102m n LYS 77 N -4.36 0.18 0.03 1.13 5.02 -0.72 -1.49 118.16 117.95 102m n LYS 77 Ca 0.08 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 102m n LYS 77 Cb 0.09 -1.88 0.54 0.00 -0.02 0.00 0.00 35.03 33.76 102m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 102m n LYS 78 N -2.22 0.07 -3.84 1.97 4.76 -0.68 -4.94 118.16 113.28 102m n LYS 78 Ca 0.01 0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.29 102m n LYS 78 Cb 0.18 -1.59 0.01 0.00 -1.84 0.00 0.00 35.03 31.79 102m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 102m n LYS 79 N -1.72 -4.40 0.00 1.97 5.02 -0.56 -2.06 118.16 116.41 102m n LYS 79 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 102m n LYS 79 Cb 0.35 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 102m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 102m n GLY 80 N -1.71 3.28 2.71 0.72 0.00 -1.26 -4.95 105.19 103.97 102m n GLY 80 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 102m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 102m n HIS 81 N -2.00 2.62 -0.83 1.61 8.25 -0.87 -4.67 115.22 119.33 102m n HIS 81 Ca 0.00 -2.67 0.08 0.00 -0.26 0.00 0.00 57.72 54.87 102m n HIS 81 Cb 0.00 -1.52 0.18 0.00 1.12 0.00 0.00 29.99 29.77 102m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 102m n HIS 82 N 1.40 0.44 -0.24 4.41 1.44 -1.26 -4.76 115.22 116.65 102m n HIS 82 Ca 0.46 -0.84 0.03 0.00 -2.01 0.00 0.00 57.72 55.36 102m n HIS 82 Cb 0.29 -0.19 0.16 0.00 0.12 0.00 0.00 29.99 30.36 102m n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 102m h GLU 83 N 0.96 0.39 -0.58 -1.40 9.09 -2.00 -1.16 114.58 119.89 102m h GLU 83 Ca 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 102m h GLU 83 Cb 1.10 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 28.09 102m h GLU 83 CO 0.09 0.26 0.24 0.00 0.05 0.00 0.00 179.01 179.65 102m h ALA 84 N 1.51 0.75 -0.05 1.06 0.00 -2.01 -2.69 119.26 117.83 102m h ALA 84 Ca 0.38 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 102m h ALA 84 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 102m h ALA 84 CO -0.39 0.35 -0.39 0.93 0.00 0.00 0.00 179.25 179.75 102m h GLU 85 N 0.79 0.11 -0.01 0.00 3.07 -1.78 -3.26 114.58 113.50 102m h GLU 85 Ca 0.19 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.85 102m h GLU 85 Cb 0.18 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 102m h GLU 85 CO -0.02 0.49 -0.72 1.25 -1.40 0.00 0.00 179.01 178.61 102m h LEU 86 N 0.10 0.07 0.38 1.33 5.85 -0.91 -3.36 115.31 118.77 102m h LEU 86 Ca 0.01 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 102m h LEU 86 Cb 0.74 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 102m h LEU 86 CO 0.05 0.76 -0.44 0.11 -0.34 0.00 0.00 178.44 178.59 102m h LYS 87 N 0.04 -0.82 -0.16 1.25 1.57 -1.55 0.27 116.57 117.16 102m h LYS 87 Ca -0.01 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 102m h LYS 87 Cb 1.27 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 102m h LYS 87 CO 0.10 -0.55 -0.18 -1.00 -0.57 0.00 0.00 179.45 177.25 102m h PRO 88 N -0.85 0.28 -0.34 3.15 0.13 -1.78 -1.25 132.00 131.33 102m h PRO 88 Ca -0.03 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 102m h PRO 88 Cb 0.77 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 102m h PRO 88 CO -0.10 0.46 -0.03 1.25 -0.23 0.00 0.00 178.00 179.34 102m h LEU 89 N 0.26 0.63 -0.51 1.56 5.85 -1.66 -1.39 115.31 120.05 102m h LEU 89 Ca 0.05 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 102m h LEU 89 Cb 0.48 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 102m h LEU 89 CO 0.03 0.81 -0.05 0.00 -0.34 0.00 0.00 178.44 178.89 102m h ALA 90 N 0.84 0.69 -0.05 1.25 0.00 -0.73 -1.97 119.26 119.28 102m h ALA 90 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 102m h ALA 90 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 102m h ALA 90 CO 0.02 0.54 0.03 0.37 0.00 0.00 0.00 179.25 180.21 102m h GLN 91 N 0.79 0.08 -0.57 0.00 4.15 -1.07 -1.17 115.11 117.31 102m h GLN 91 Ca 0.14 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 102m h GLN 91 Cb 0.59 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 102m h GLN 91 CO 0.04 0.17 -0.02 0.66 -1.93 0.00 0.00 178.83 177.74 102m h SER 92 N -0.03 1.00 0.90 -0.69 4.64 -1.24 -1.06 113.55 117.07 102m h SER 92 Ca 0.02 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 60.94 102m h SER 92 Cb 0.12 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 102m h SER 92 CO -0.00 1.08 -0.38 0.45 -0.87 0.00 0.00 176.83 177.10 102m h HIS 93 N 0.91 0.00 0.05 4.77 3.86 -1.30 -0.28 115.15 123.16 102m h HIS 93 Ca 0.16 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.19 102m h HIS 93 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 102m h HIS 93 CO 0.04 0.38 -0.94 0.00 0.86 0.00 0.00 177.93 178.28 102m h ALA 94 N 1.62 0.14 0.11 2.45 0.00 -1.17 0.26 119.26 122.66 102m h ALA 94 Ca -0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 54.91 53.63 102m h ALA 94 Cb 0.94 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 102m h ALA 94 CO 0.05 0.53 -1.83 1.15 0.00 0.00 0.00 179.25 179.15 102m h THR 95 N -0.71 0.71 0.00 0.00 2.02 -1.25 -3.29 112.91 110.38 102m h THR 95 Ca -0.22 -2.32 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 102m h THR 95 Cb 1.40 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 70.29 102m h THR 95 CO -0.03 0.79 -0.58 0.50 0.37 0.00 0.00 175.52 176.57 102m h LYS 96 N -0.13 0.00 0.00 6.66 3.64 -1.31 -3.42 116.57 122.01 102m h LYS 96 Ca -0.40 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 102m h LYS 96 Cb 1.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 102m h LYS 96 CO 0.04 0.14 -0.62 0.45 -2.27 0.00 0.00 179.45 177.18 102m h HIS 97 N -1.00 0.00 -5.66 1.91 3.86 -1.29 -3.49 115.15 109.48 102m h HIS 97 Ca -0.05 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.92 102m h HIS 97 Cb 0.59 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.18 102m h HIS 97 CO -0.16 0.62 -0.71 1.63 0.86 0.00 0.00 177.93 180.17 102m n LYS 98 N -3.29 -1.79 -3.50 2.45 5.02 -0.57 -4.99 118.16 111.49 102m n LYS 98 Ca 0.01 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.79 102m n LYS 98 Cb 0.77 -5.30 -0.10 0.00 -0.02 0.00 0.00 35.03 30.37 102m n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 102m s ILE 99 N -3.31 5.22 0.64 -0.18 -1.09 0.81 -5.01 121.20 118.27 102m s ILE 99 Ca 0.35 -0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 58.12 102m s ILE 99 Cb -0.07 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 102m s ILE 99 CO 0.78 -0.18 1.13 -2.16 -1.23 0.00 0.00 174.94 173.27 102m s PRO 100 N 1.69 2.85 0.46 2.79 0.04 -1.26 -4.77 135.00 136.80 102m s PRO 100 Ca 0.05 1.50 0.20 0.00 0.04 0.00 0.00 61.00 62.79 102m s PRO 100 Cb -0.18 -1.95 1.18 0.00 0.04 0.00 0.00 34.50 33.59 102m s PRO 100 CO 0.10 -1.23 1.91 0.82 0.04 0.00 0.00 177.00 178.64 102m h ILE 101 N 0.28 0.72 -0.81 0.56 1.08 -1.91 -0.67 117.51 116.75 102m h ILE 101 Ca -0.48 -0.10 0.14 0.00 -0.39 0.00 0.00 64.86 64.04 102m h ILE 101 Cb 1.26 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 35.33 102m h ILE 101 CO 0.54 0.05 0.40 0.50 -0.69 0.00 0.00 178.15 178.95 102m h LYS 102 N 0.28 0.56 0.00 2.37 1.63 -1.90 0.69 116.57 120.20 102m h LYS 102 Ca 0.38 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.08 102m h LYS 102 Cb 1.08 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 102m h LYS 102 CO -0.10 0.37 -0.33 1.88 -3.45 0.00 0.00 179.45 177.83 102m h TYR 103 N 0.58 0.00 0.00 1.91 -1.99 -1.47 -1.93 116.97 114.07 102m h TYR 103 Ca 0.44 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 61.03 102m h TYR 103 Cb 0.61 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 102m h TYR 103 CO -0.11 0.33 -0.64 -0.07 -0.00 0.00 0.00 178.16 177.66 102m h LEU 104 N 0.00 0.00 -0.34 3.88 3.38 -0.88 -1.76 115.31 119.59 102m h LEU 104 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 102m h LEU 104 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 102m h LEU 104 CO 0.04 0.64 -0.39 -0.33 0.09 0.00 0.00 178.44 178.49 102m h GLU 105 N 0.00 0.86 -0.60 1.13 5.08 -0.74 -2.27 114.58 118.03 102m h GLU 105 Ca -0.01 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 102m h GLU 105 Cb 1.20 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 102m h GLU 105 CO 0.08 1.12 0.36 0.74 -1.00 0.00 0.00 179.01 180.31 102m h PHE 106 N 0.65 0.80 0.00 4.33 0.04 -1.15 -1.95 116.94 119.66 102m h PHE 106 Ca 0.05 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 102m h PHE 106 Cb 0.99 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 102m h PHE 106 CO 0.07 0.55 -0.46 0.97 -0.60 0.00 0.00 178.31 178.84 102m h ILE 107 N 0.82 1.08 -0.50 -0.55 2.10 -1.32 -2.26 117.51 116.87 102m h ILE 107 Ca 0.22 -1.73 -0.07 0.00 1.08 0.00 0.00 64.86 64.36 102m h ILE 107 Cb -0.02 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 102m h ILE 107 CO -0.04 0.45 0.02 0.28 -1.08 0.00 0.00 178.15 177.78 102m h SER 108 N 0.00 0.80 -0.01 2.19 0.02 -0.83 -0.71 113.55 115.01 102m h SER 108 Ca -0.00 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 102m h SER 108 Cb 0.96 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 102m h SER 108 CO 0.06 0.85 -0.51 -0.08 -1.14 0.00 0.00 176.83 176.01 102m h GLU 109 N 0.78 0.57 -0.33 3.45 4.81 -1.11 -2.18 114.58 120.57 102m h GLU 109 Ca 0.15 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 102m h GLU 109 Cb 0.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 102m h GLU 109 CO 0.02 0.95 -0.25 0.00 -0.73 0.00 0.00 179.01 179.00 102m h ALA 110 N 0.99 0.95 -0.28 2.92 0.00 -0.90 -1.43 119.26 121.52 102m h ALA 110 Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 102m h ALA 110 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 102m h ALA 110 CO 0.10 0.61 -0.01 0.82 0.00 0.00 0.00 179.25 180.76 102m h ILE 111 N 0.57 1.26 -0.79 0.00 2.04 -0.95 -1.78 117.51 117.86 102m h ILE 111 Ca 0.08 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 102m h ILE 111 Cb 0.72 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 102m h ILE 111 CO 0.06 0.30 0.35 0.40 0.00 0.00 0.00 178.15 179.26 102m h ILE 112 N 0.27 1.25 -0.33 -0.67 2.04 -1.26 -1.59 117.51 117.23 102m h ILE 112 Ca 0.08 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 102m h ILE 112 Cb 0.45 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 102m h ILE 112 CO 0.02 0.32 0.10 -0.74 0.00 0.00 0.00 178.15 177.84 102m h HIS 113 N 1.14 0.53 -0.34 1.37 2.76 -1.12 -1.24 115.15 118.25 102m h HIS 113 Ca 0.27 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 102m h HIS 113 Cb 0.17 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 102m h HIS 113 CO 0.02 0.53 -0.06 0.28 -1.30 0.00 0.00 177.93 177.40 102m h VAL 114 N 0.37 1.27 -0.80 5.26 2.07 -1.13 -1.07 116.25 122.23 102m h VAL 114 Ca 0.10 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 102m h VAL 114 Cb 0.25 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 102m h VAL 114 CO -0.00 0.36 0.41 -0.07 0.02 0.00 0.00 177.57 178.28 102m h LEU 115 N 0.44 1.03 -0.81 2.57 3.38 -1.24 -0.13 115.31 120.55 102m h LEU 115 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 102m h LEU 115 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 102m h LEU 115 CO 0.03 0.85 0.30 -0.74 0.09 0.00 0.00 178.44 178.98 102m h HIS 116 N 1.14 1.21 -0.11 1.13 2.76 -1.04 0.47 115.15 120.70 102m h HIS 116 Ca 0.28 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 102m h HIS 116 Cb 0.08 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.68 102m h HIS 116 CO 0.01 0.92 -0.18 0.77 -1.30 0.00 0.00 177.93 178.15 102m h SER 117 N 1.15 0.35 1.32 3.26 0.02 -0.62 -3.29 113.55 115.74 102m h SER 117 Ca 0.26 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 102m h SER 117 Cb 0.23 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 102m h SER 117 CO -0.02 0.82 -0.70 0.03 -1.14 0.00 0.00 176.83 175.81 102m h ARG 118 N -0.10 0.00 -1.76 3.45 3.08 -1.01 -3.40 114.38 114.65 102m h ARG 118 Ca 0.01 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.56 102m h ARG 118 Cb 0.74 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.38 102m h ARG 118 CO 0.04 0.16 -0.98 0.72 -1.07 0.00 0.00 179.97 178.84 102m n HIS 119 N -2.95 1.92 -0.12 3.04 8.25 0.15 -4.93 115.22 120.57 102m n HIS 119 Ca -0.00 -3.51 0.13 0.00 -0.26 0.00 0.00 57.72 54.08 102m n HIS 119 Cb 0.64 -0.37 0.49 0.00 1.12 0.00 0.00 29.99 31.87 102m n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 102m h PRO 120 N 2.93 0.42 0.00 -0.41 0.13 -1.73 0.47 132.00 133.80 102m h PRO 120 Ca 0.09 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.13 102m h PRO 120 Cb 0.89 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 102m h PRO 120 CO 0.64 0.28 -0.35 0.78 -0.23 0.00 0.00 178.00 179.12 102m h GLY 121 N 0.43 0.00 -1.23 1.56 0.00 -1.92 -3.11 103.07 98.80 102m h GLY 121 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 102m h GLY 121 CO -0.10 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.14 102m n ASN 122 N -3.38 2.68 -2.93 0.19 5.03 -0.56 -4.64 115.26 111.64 102m n ASN 122 Ca 0.01 -1.84 -0.21 0.00 0.87 0.00 0.00 54.58 53.40 102m n ASN 122 Cb 0.55 -0.17 -0.02 0.00 -1.02 0.00 0.00 39.78 39.12 102m n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 102m n PHE 123 N 0.61 2.17 -1.12 3.10 7.35 0.05 -4.72 117.46 124.90 102m n PHE 123 Ca 0.11 -3.66 -0.08 0.00 -0.76 0.00 0.00 57.45 53.06 102m n PHE 123 Cb 0.39 -0.40 0.06 0.00 0.35 0.00 0.00 39.48 39.89 102m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 102m n GLY 124 N -0.06 -1.51 0.28 7.13 0.00 -1.26 -4.64 105.19 105.14 102m n GLY 124 Ca 0.27 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 102m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 102m h ALA 125 N -2.00 0.99 -0.51 4.61 0.00 -1.98 -0.43 119.26 119.95 102m h ALA 125 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 102m h ALA 125 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 102m h ALA 125 CO 0.08 0.16 -0.16 -0.44 0.00 0.00 0.00 179.25 178.89 102m h ASP 126 N 0.82 1.03 -0.50 0.00 3.32 -1.99 -1.47 116.42 117.62 102m h ASP 126 Ca 0.32 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 102m h ASP 126 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 102m h ASP 126 CO -0.16 1.17 -0.12 0.00 -1.72 0.00 0.00 179.24 178.40 102m h ALA 127 N 0.90 0.80 -0.31 3.45 0.00 -1.78 -1.71 119.26 120.61 102m h ALA 127 Ca 0.13 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 102m h ALA 127 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 102m h ALA 127 CO 0.06 0.66 -0.25 0.37 0.00 0.00 0.00 179.25 180.09 102m h GLN 128 N 0.88 0.60 -0.60 0.00 4.15 -0.99 -1.28 115.11 117.87 102m h GLN 128 Ca 0.14 -0.24 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 102m h GLN 128 Cb 0.68 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 102m h GLN 128 CO 0.05 0.80 0.11 0.78 -1.93 0.00 0.00 178.83 178.65 102m h GLY 129 N 1.01 1.05 1.05 2.39 0.00 -1.02 0.43 103.07 107.98 102m h GLY 129 Ca 0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 102m h GLY 129 CO 0.06 0.64 -0.05 0.00 0.00 0.00 0.00 176.54 177.18 102m h ALA 130 N 1.02 0.72 -0.45 3.60 0.00 -1.12 -1.51 119.26 121.53 102m h ALA 130 Ca 0.18 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 102m h ALA 130 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 102m h ALA 130 CO 0.01 0.58 0.06 1.98 0.00 0.00 0.00 179.25 181.88 102m h MET 131 N 0.84 0.75 -0.67 0.00 -1.53 -1.04 -1.43 114.93 111.86 102m h MET 131 Ca 0.14 -0.21 0.02 0.00 -3.44 0.00 0.00 59.70 56.21 102m h MET 131 Cb 0.60 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.53 102m h MET 131 CO 0.04 0.78 0.44 -0.97 0.14 0.00 0.00 176.91 177.34 102m h ASN 132 N 0.61 0.74 -0.84 1.39 -1.24 -0.82 -0.82 115.58 114.60 102m h ASN 132 Ca 0.13 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 102m h ASN 132 Cb 0.41 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 102m h ASN 132 CO 0.01 0.53 0.45 0.50 -1.29 0.00 0.00 177.43 177.63 102m h LYS 133 N 0.88 1.18 -0.50 6.67 3.64 -1.04 0.66 116.57 128.06 102m h LYS 133 Ca 0.26 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 102m h LYS 133 Cb -0.06 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 102m h LYS 133 CO -0.07 0.87 -0.14 0.00 -2.27 0.00 0.00 179.45 177.84 102m h ALA 134 N 1.24 0.82 -0.04 5.00 0.00 -0.77 -0.69 119.26 124.83 102m h ALA 134 Ca 0.30 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 102m h ALA 134 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 102m h ALA 134 CO -0.05 0.66 -0.72 -0.07 0.00 0.00 0.00 179.25 179.07 102m h LEU 135 N 0.84 0.26 -0.63 0.00 3.38 -0.88 -1.51 115.31 116.75 102m h LEU 135 Ca 0.13 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 102m h LEU 135 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 102m h LEU 135 CO 0.05 0.89 -0.20 -0.33 0.09 0.00 0.00 178.44 178.94 102m h GLU 136 N 0.14 0.86 -0.45 1.13 5.08 -0.62 -0.37 114.58 120.35 102m h GLU 136 Ca -0.02 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 102m h GLU 136 Cb 1.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 102m h GLU 136 CO 0.11 0.98 0.15 1.25 -1.00 0.00 0.00 179.01 180.51 102m h LEU 137 N 0.75 0.65 -0.17 1.33 5.85 -0.95 0.00 115.31 122.78 102m h LEU 137 Ca 0.11 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.64 102m h LEU 137 Cb 0.73 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 102m h LEU 137 CO 0.06 0.67 0.07 0.15 -0.34 0.00 0.00 178.44 179.05 102m h PHE 138 N 0.60 0.13 -0.56 1.25 3.57 -1.01 -1.71 116.94 119.20 102m h PHE 138 Ca 0.15 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 102m h PHE 138 Cb 0.25 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 102m h PHE 138 CO 0.01 0.07 0.13 0.00 -2.23 0.00 0.00 178.31 176.29 102m h ARG 139 N 0.16 0.86 -0.30 1.11 3.08 -0.88 -1.17 114.38 117.22 102m h ARG 139 Ca 0.07 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 102m h ARG 139 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 102m h ARG 139 CO -0.06 0.77 0.04 -0.22 -1.07 0.00 0.00 179.97 179.44 102m h LYS 140 N 0.82 0.51 -0.19 0.04 3.64 -0.75 -0.46 116.57 120.19 102m h LYS 140 Ca 0.18 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 102m h LYS 140 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 102m h LYS 140 CO -0.00 0.61 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.88 102m h ASP 141 N 0.33 0.52 -0.47 4.20 3.32 -1.20 -2.21 116.42 120.91 102m h ASP 141 Ca 0.09 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 102m h ASP 141 Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 102m h ASP 141 CO 0.01 0.91 -0.18 0.40 -1.72 0.00 0.00 179.24 178.66 102m h ILE 142 N 0.39 1.27 -0.88 0.35 1.08 -1.15 -2.36 117.51 116.22 102m h ILE 142 Ca 0.02 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.14 102m h ILE 142 Cb 0.97 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 102m h ILE 142 CO 0.09 0.46 0.47 0.00 -0.69 0.00 0.00 178.15 178.48 102m h ALA 143 N 0.86 1.18 -0.76 1.87 0.00 -0.93 -0.07 119.26 121.42 102m h ALA 143 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 102m h ALA 143 Cb 0.75 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 102m h ALA 143 CO 0.06 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.27 102m h ALA 144 N 1.29 1.11 -0.32 0.00 0.00 -1.24 -2.30 119.26 117.80 102m h ALA 144 Ca 0.31 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 102m h ALA 144 Cb 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 102m h ALA 144 CO -0.05 0.64 -0.46 0.87 0.00 0.00 0.00 179.25 180.25 102m h LYS 145 N 1.10 0.85 -0.35 0.00 6.56 -0.88 -2.62 116.57 121.23 102m h LYS 145 Ca 0.25 -0.49 0.06 0.00 -1.06 0.00 0.00 60.65 59.42 102m h LYS 145 Cb 0.20 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.84 102m h LYS 145 CO -0.02 1.13 -0.01 1.88 -2.06 0.00 0.00 179.45 180.36 102m h TYR 146 N 0.68 -0.04 -0.61 -1.35 -1.99 -0.66 -0.85 116.97 112.15 102m h TYR 146 Ca 0.04 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.83 102m h TYR 146 Cb 1.05 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.81 102m h TYR 146 CO 0.06 -0.07 0.37 -0.22 -0.00 0.00 0.00 178.16 178.30 102m h LYS 147 N 0.09 0.71 0.00 4.88 3.64 -1.30 -1.11 116.57 123.47 102m h LYS 147 Ca 0.17 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 102m h LYS 147 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 102m h LYS 147 CO -0.29 0.47 -0.21 0.93 -2.27 0.00 0.00 179.45 178.08 102m h GLU 148 N 0.73 0.00 -0.00 1.90 5.08 -1.02 -2.22 114.58 119.04 102m h GLU 148 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 102m h GLU 148 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 102m h GLU 148 CO -0.11 0.21 -0.18 1.28 -1.00 0.00 0.00 179.01 179.20 102m n LEU 149 N -4.26 0.39 0.00 1.33 4.77 -0.38 -4.94 117.00 113.90 102m n LEU 149 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 102m n LEU 149 Cb 0.27 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 102m n LEU 149 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 102m n GLY 150 N 1.39 0.82 1.00 -0.72 0.00 -0.78 -4.99 105.19 101.90 102m n GLY 150 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 102m n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 102m n TYR 151 N -2.30 -0.00 -1.10 1.61 9.36 -0.51 -4.98 117.16 119.24 102m n TYR 151 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 102m n TYR 151 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 102m n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 102m n GLN 152 N -2.52 -1.18 0.00 2.98 0.00 -1.04 -4.82 117.38 110.81 102m n GLN 152 Ca 0.00 0.31 0.12 0.00 -0.00 0.00 0.00 57.00 57.44 102m n GLN 152 Cb 0.00 -4.34 0.72 0.00 0.00 0.00 0.00 30.24 26.61 102m n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47