#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1obm s VAL 1 N 0.00 -0.08 0.26 3.17 1.01 -1.26 -5.07 120.40 118.43 1obm s VAL 1 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1obm s VAL 1 Cb 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 1obm s VAL 1 CO 0.00 0.09 0.66 -0.76 0.00 0.00 0.00 175.10 175.09 1obm s LEU 2 N 1.35 4.16 0.68 3.92 1.02 -1.26 -5.08 118.68 123.48 1obm s LEU 2 Ca -0.07 1.18 -0.11 0.00 0.02 0.00 0.00 54.13 55.15 1obm s LEU 2 Cb -0.12 -3.80 0.01 0.00 0.02 0.00 0.00 46.19 42.30 1obm s LEU 2 CO -0.05 -0.10 1.07 -0.94 0.02 0.00 0.00 176.35 176.34 1obm s SER 3 N -2.14 5.54 0.37 2.29 1.04 -1.26 -4.90 113.70 114.63 1obm s SER 3 Ca 0.49 1.10 0.04 0.00 0.48 0.00 0.00 55.95 58.06 1obm s SER 3 Cb -0.12 -1.95 0.71 0.00 0.10 0.00 0.00 66.02 64.76 1obm s SER 3 CO 0.19 -1.26 2.03 -0.08 0.98 0.00 0.00 173.24 175.10 1obm h GLU 4 N -0.56 0.74 -0.71 4.02 4.57 -1.99 -1.85 114.58 118.80 1obm h GLU 4 Ca -0.45 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 1obm h GLU 4 Cb 1.25 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 1obm h GLU 4 CO 0.63 0.49 0.28 0.78 -1.18 0.00 0.00 179.01 180.01 1obm h GLY 5 N 0.76 1.12 0.93 1.92 0.00 -1.99 -0.23 103.07 105.58 1obm h GLY 5 Ca 0.21 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1obm h GLY 5 CO -0.05 0.56 -0.05 0.83 0.00 0.00 0.00 176.54 177.83 1obm h GLU 6 N 1.02 0.65 -0.84 4.80 5.08 -1.78 -2.29 114.58 121.22 1obm h GLU 6 Ca 0.24 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1obm h GLU 6 Cb 0.19 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1obm h GLU 6 CO -0.02 0.80 0.56 -1.49 -1.00 0.00 0.00 179.01 177.86 1obm h TRP 7 N 0.45 1.06 -0.91 4.33 4.06 -0.97 -1.83 115.95 122.13 1obm h TRP 7 Ca 0.09 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.06 1obm h TRP 7 Cb 0.54 -0.36 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 1obm h TRP 7 CO 0.05 0.67 0.54 1.96 -3.56 0.00 0.00 178.44 178.10 1obm h GLN 8 N 1.14 1.24 -0.64 0.49 4.20 -0.84 0.11 115.11 120.81 1obm h GLN 8 Ca 0.31 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1obm h GLN 8 Cb -0.13 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.37 1obm h GLN 8 CO -0.07 0.87 0.12 -0.07 -0.67 0.00 0.00 178.83 179.01 1obm h LEU 9 N 1.26 1.00 -0.03 1.46 3.38 -0.81 -0.52 115.31 121.05 1obm h LEU 9 Ca 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1obm h LEU 9 Cb -0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1obm h LEU 9 CO -0.06 1.00 -0.00 0.58 0.09 0.00 0.00 178.44 180.04 1obm h VAL 10 N 0.96 1.26 0.00 1.22 2.07 -0.83 -2.97 116.25 117.95 1obm h VAL 10 Ca 0.20 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1obm h VAL 10 Cb 0.41 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1obm h VAL 10 CO 0.01 0.21 -0.12 -0.07 0.02 0.00 0.00 177.57 177.62 1obm h LEU 11 N -0.26 0.00 -0.08 2.57 3.38 -0.71 -1.66 115.31 118.55 1obm h LEU 11 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1obm h LEU 11 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1obm h LEU 11 CO 0.00 0.12 -0.10 -0.74 0.09 0.00 0.00 178.44 177.81 1obm h HIS 12 N 0.00 0.25 -0.01 1.13 2.76 -1.01 -1.52 115.15 116.74 1obm h HIS 12 Ca -0.00 -0.08 -0.14 0.00 -2.20 0.00 0.00 60.37 57.95 1obm h HIS 12 Cb 0.60 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1obm h HIS 12 CO 0.00 0.66 -0.62 -0.24 -1.30 0.00 0.00 177.93 176.43 1obm h VAL 13 N -0.24 1.43 -0.22 5.26 3.04 -1.42 -2.99 116.25 121.12 1obm h VAL 13 Ca 0.01 -2.11 -0.04 0.00 -1.01 0.00 0.00 66.70 63.55 1obm h VAL 13 Cb 0.63 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 32.02 1obm h VAL 13 CO 0.02 0.61 -0.06 -0.25 -1.01 0.00 0.00 177.57 176.88 1obm h TRP 14 N 0.04 0.36 -0.21 3.17 2.91 -1.15 -1.20 115.95 119.88 1obm h TRP 14 Ca -0.01 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1obm h TRP 14 Cb 1.11 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1obm h TRP 14 CO 0.01 0.41 0.07 0.00 -1.03 0.00 0.00 178.44 177.90 1obm h ALA 15 N 1.61 1.74 0.01 2.65 0.00 -1.12 -0.25 119.26 123.91 1obm h ALA 15 Ca 0.07 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1obm h ALA 15 Cb 0.32 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1obm h ALA 15 CO 0.01 0.21 -0.72 0.87 0.00 0.00 0.00 179.25 179.62 1obm h LYS 16 N 0.29 0.47 -0.93 0.00 1.79 -1.29 -3.15 116.57 113.74 1obm h LYS 16 Ca 0.07 -0.52 0.07 0.00 -2.18 0.00 0.00 60.65 58.10 1obm h LYS 16 Cb 0.08 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1obm h LYS 16 CO -0.01 1.17 0.59 0.28 -1.08 0.00 0.00 179.45 180.40 1obm h VAL 17 N -0.01 1.04 0.00 0.50 2.07 -0.69 -1.93 116.25 117.23 1obm h VAL 17 Ca -0.09 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1obm h VAL 17 Cb 1.43 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1obm h VAL 17 CO 0.14 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1obm n GLU 18 N -4.58 0.01 0.26 1.57 1.02 -0.16 -1.47 120.64 117.29 1obm n GLU 18 Ca 0.15 0.36 0.16 0.00 -0.02 0.00 0.00 57.16 57.81 1obm n GLU 18 Cb 0.21 -1.53 0.58 0.00 -0.02 0.00 0.00 31.44 30.68 1obm n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1obm h ALA 19 N 2.29 1.00 -1.52 0.62 0.00 -1.37 -3.37 119.26 116.92 1obm h ALA 19 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1obm h ALA 19 Cb 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.65 1obm h ALA 19 CO 0.00 0.00 -0.83 -3.47 0.00 0.00 0.00 179.25 174.95 1obm n ASP 20 N -3.04 -1.31 -0.06 0.00 2.03 -0.54 -5.02 116.55 108.62 1obm n ASP 20 Ca 0.01 -2.76 -0.10 0.00 0.52 0.00 0.00 54.79 52.46 1obm n ASP 20 Cb 0.34 0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 41.03 1obm n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1obm h VAL 21 N 3.51 1.13 -0.70 5.18 2.07 -1.73 -2.18 116.25 123.53 1obm h VAL 21 Ca 0.08 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1obm h VAL 21 Cb 0.96 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1obm h VAL 21 CO 0.33 0.12 0.27 0.00 0.02 0.00 0.00 177.57 178.31 1obm h ALA 22 N 0.98 0.91 -0.46 1.67 0.00 -1.93 -0.63 119.26 119.81 1obm h ALA 22 Ca 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1obm h ALA 22 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1obm h ALA 22 CO -0.01 0.54 0.05 0.78 0.00 0.00 0.00 179.25 180.61 1obm h GLY 23 N 1.01 0.83 1.17 0.00 0.00 -1.93 -1.70 103.07 102.46 1obm h GLY 23 Ca 0.23 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1obm h GLY 23 CO -0.02 0.53 -0.20 0.45 0.00 0.00 0.00 176.54 177.31 1obm h HIS 24 N 0.63 1.08 -0.61 5.60 3.86 -1.23 -1.21 115.15 123.26 1obm h HIS 24 Ca 0.14 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1obm h HIS 24 Cb 0.43 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1obm h HIS 24 CO 0.03 1.05 0.38 0.78 0.86 0.00 0.00 177.93 181.03 1obm h GLY 25 N 0.91 0.87 0.82 2.45 0.00 -0.94 -1.28 103.07 105.90 1obm h GLY 25 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1obm h GLY 25 CO 0.06 0.24 0.00 1.46 0.00 0.00 0.00 176.54 178.31 1obm h GLN 26 N 0.74 0.02 -0.52 4.80 4.20 -1.16 -2.34 115.11 120.85 1obm h GLN 26 Ca 0.24 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.02 1obm h GLN 26 Cb 0.01 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1obm h GLN 26 CO -0.10 0.20 0.18 -0.44 -0.67 0.00 0.00 178.83 178.00 1obm h ASP 27 N -0.16 0.18 -0.17 1.46 3.32 -1.02 -1.05 116.42 118.98 1obm h ASP 27 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1obm h ASP 27 Cb 0.19 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1obm h ASP 27 CO -0.00 0.13 0.06 0.40 -1.72 0.00 0.00 179.24 178.11 1obm h ILE 28 N 0.36 1.16 -0.55 0.35 2.04 -1.22 -1.58 117.51 118.08 1obm h ILE 28 Ca 0.25 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1obm h ILE 28 Cb 0.27 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1obm h ILE 28 CO -0.26 0.15 0.24 -0.26 0.00 0.00 0.00 178.15 178.03 1obm h PHE 29 N 0.11 0.81 -0.58 1.37 -1.00 -1.20 -0.63 116.94 115.82 1obm h PHE 29 Ca 0.05 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1obm h PHE 29 Cb 0.19 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1obm h PHE 29 CO -0.01 0.64 0.18 0.82 -1.61 0.00 0.00 178.31 178.33 1obm h ILE 30 N 0.74 1.24 -0.56 -0.55 2.04 -1.19 0.41 117.51 119.65 1obm h ILE 30 Ca 0.19 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1obm h ILE 30 Cb 0.15 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1obm h ILE 30 CO -0.02 0.31 0.37 -0.09 0.00 0.00 0.00 178.15 178.71 1obm h ARG 31 N 0.81 0.73 -0.11 2.37 9.65 -0.98 0.78 114.38 127.63 1obm h ARG 31 Ca 0.19 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1obm h ARG 31 Cb 0.28 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1obm h ARG 31 CO -0.01 0.49 0.06 1.25 2.80 0.00 0.00 179.97 184.56 1obm h LEU 32 N 0.75 0.14 -1.02 3.80 5.85 -0.68 -1.20 115.31 122.95 1obm h LEU 32 Ca 0.20 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1obm h LEU 32 Cb -0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1obm h LEU 32 CO -0.04 0.19 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.68 1obm h PHE 33 N 0.09 0.37 -0.06 1.25 0.04 -0.61 0.19 116.94 118.22 1obm h PHE 33 Ca 0.04 -0.08 -0.24 0.00 2.80 0.00 0.00 57.97 60.49 1obm h PHE 33 Cb 0.08 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.15 1obm h PHE 33 CO -0.04 0.60 -0.92 0.87 -0.60 0.00 0.00 178.31 178.22 1obm h LYS 34 N 0.29 0.68 0.03 1.51 1.57 -0.69 -2.92 116.57 117.04 1obm h LYS 34 Ca 0.04 -0.66 -0.23 0.00 -1.87 0.00 0.00 60.65 57.93 1obm h LYS 34 Cb 0.68 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1obm h LYS 34 CO 0.05 1.25 -1.00 0.77 -0.57 0.00 0.00 179.45 179.96 1obm h SER 35 N 0.42 0.50 -2.23 0.86 0.02 -1.00 -3.39 113.55 108.71 1obm h SER 35 Ca -0.09 -0.42 -0.58 0.00 -0.84 0.00 0.00 61.79 59.86 1obm h SER 35 Cb 1.56 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 63.56 1obm h SER 35 CO 0.18 1.24 -1.00 1.41 -1.14 0.00 0.00 176.83 177.51 1obm n HIS 36 N -3.70 -0.39 -0.20 3.45 8.25 0.65 -4.99 115.22 118.30 1obm n HIS 36 Ca -0.07 -3.48 0.30 0.00 -0.26 0.00 0.00 57.72 54.22 1obm n HIS 36 Cb 0.87 -0.05 0.71 0.00 1.12 0.00 0.00 29.99 32.64 1obm n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1obm h PRO 37 N 4.89 0.00 0.00 -0.41 0.11 -1.69 -0.58 132.00 134.32 1obm h PRO 37 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1obm h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1obm h PRO 37 CO 0.44 0.00 -0.12 1.05 -0.21 0.00 0.00 178.00 179.15 1obm h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.49 114.58 120.30 1obm h GLU 38 Ca 0.45 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.80 1obm h GLU 38 Cb 2.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.10 1obm h GLU 38 CO -0.00 0.12 -0.30 1.79 0.05 0.00 0.00 179.01 180.67 1obm h THR 39 N 0.00 1.10 0.00 -1.06 1.35 -1.44 -2.71 112.91 110.15 1obm h THR 39 Ca -0.00 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1obm h THR 39 Cb 0.24 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1obm h THR 39 CO 0.02 0.29 -0.19 0.25 -0.25 0.00 0.00 175.52 175.64 1obm h LEU 40 N 0.00 0.00 -2.55 3.87 5.85 -1.62 -2.56 115.31 118.30 1obm h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1obm h LEU 40 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1obm h LEU 40 CO 0.04 0.19 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.98 1obm h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.62 -1.88 114.58 117.41 1obm h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1obm h GLU 41 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1obm h GLU 41 CO 0.02 0.02 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 1obm h LYS 42 N 0.00 0.00 -3.91 2.33 1.79 -1.62 -3.39 116.57 111.76 1obm h LYS 42 Ca -0.00 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.69 1obm h LYS 42 Cb 0.07 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.46 1obm h LYS 42 CO 0.00 0.00 0.08 -0.06 -1.08 0.00 0.00 179.45 178.39 1obm s PHE 43 N -3.44 3.67 0.43 -1.35 0.40 -0.71 -4.91 117.98 112.07 1obm s PHE 43 Ca 0.04 -1.87 0.15 0.00 -0.60 0.00 0.00 56.93 54.65 1obm s PHE 43 Cb 0.09 -3.83 1.05 0.00 0.51 0.00 0.00 43.02 40.83 1obm s PHE 43 CO 0.52 -1.01 1.93 -0.44 0.70 0.00 0.00 175.22 176.92 1obm h ASP 44 N 7.97 0.38 -0.61 1.36 3.32 -1.84 -0.31 116.42 126.69 1obm h ASP 44 Ca 0.05 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1obm h ASP 44 Cb 1.05 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1obm h ASP 44 CO 0.80 0.21 0.31 0.03 -1.72 0.00 0.00 179.24 178.87 1obm h ARG 45 N 0.41 0.90 0.00 3.56 3.08 -1.95 -3.34 114.38 117.05 1obm h ARG 45 Ca 0.35 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 1obm h ARG 45 Cb 0.78 -0.17 -0.31 0.00 0.08 0.00 0.00 29.97 30.34 1obm h ARG 45 CO -0.11 0.70 -0.93 1.97 -1.07 0.00 0.00 179.97 180.53 1obm n PHE 46 N -4.35 0.00 0.62 3.04 1.16 -0.73 -4.82 117.46 112.38 1obm n PHE 46 Ca 0.06 -0.45 0.07 0.00 -1.87 0.00 0.00 57.45 55.26 1obm n PHE 46 Cb 0.13 -0.14 0.35 0.00 -1.61 0.00 0.00 39.48 38.21 1obm n PHE 46 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 1obm n LYS 47 N 0.36 0.12 0.05 3.97 -0.00 -0.20 -2.42 118.16 120.04 1obm n LYS 47 Ca 0.06 0.19 0.13 0.00 -0.00 0.00 0.00 58.31 58.68 1obm n LYS 47 Cb 1.06 -1.50 0.41 0.00 -0.00 0.00 0.00 35.03 35.00 1obm n LYS 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1obm n HIS 48 N -1.38 0.45 -1.70 5.58 1.44 -1.26 -4.85 115.22 113.51 1obm n HIS 48 Ca 0.06 0.13 -0.44 0.00 -2.01 0.00 0.00 57.72 55.46 1obm n HIS 48 Cb 0.14 -0.66 -0.03 0.00 0.12 0.00 0.00 29.99 29.56 1obm n HIS 48 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1obm n LEU 49 N -1.90 3.62 -0.06 2.39 4.77 -1.02 -4.92 117.00 119.88 1obm n LEU 49 Ca 0.06 1.10 -0.05 0.00 -0.03 0.00 0.00 56.01 57.09 1obm n LEU 49 Cb 0.39 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 1obm n LEU 49 CO 0.31 -0.11 -0.94 0.29 -1.33 0.00 0.00 177.39 175.61 1obm n LYS 50 N 3.00 1.48 -4.40 3.23 5.02 -1.26 -5.02 118.16 120.20 1obm n LYS 50 Ca 0.14 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1obm n LYS 50 Cb 0.33 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1obm n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1obm s THR 51 N -2.44 1.26 0.30 -0.18 -4.23 -1.26 -5.03 115.64 104.06 1obm s THR 51 Ca -0.07 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1obm s THR 51 Cb 0.05 -2.55 0.14 0.00 1.34 0.00 0.00 72.50 71.48 1obm s THR 51 CO 0.60 -0.19 1.83 -0.08 -0.54 0.00 0.00 174.62 176.24 1obm h GLU 52 N 2.28 0.63 -0.45 3.99 4.81 -1.99 -1.29 114.58 122.56 1obm h GLU 52 Ca -0.40 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1obm h GLU 52 Cb 1.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1obm h GLU 52 CO 0.67 0.65 0.28 0.00 -0.73 0.00 0.00 179.01 179.88 1obm h ALA 53 N 1.40 0.57 -0.72 2.92 0.00 -1.99 0.11 119.26 121.55 1obm h ALA 53 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1obm h ALA 53 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1obm h ALA 53 CO 0.01 0.05 0.25 0.93 0.00 0.00 0.00 179.25 180.50 1obm h GLU 54 N 0.60 1.10 -0.56 0.00 5.08 -1.86 -1.85 114.58 117.08 1obm h GLU 54 Ca 0.16 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1obm h GLU 54 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1obm h GLU 54 CO -0.03 0.91 0.22 0.52 -1.00 0.00 0.00 179.01 179.63 1obm h MET 55 N 1.06 0.84 -0.09 2.33 2.86 -0.68 -1.86 114.93 119.39 1obm h MET 55 Ca 0.24 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1obm h MET 55 Cb 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1obm h MET 55 CO -0.01 0.73 -0.22 0.87 1.06 0.00 0.00 176.91 179.33 1obm h LYS 56 N 0.76 0.15 -0.00 1.72 1.57 -0.58 -2.51 116.57 117.69 1obm h LYS 56 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1obm h LYS 56 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1obm h LYS 56 CO -0.01 0.37 -0.26 0.00 -0.57 0.00 0.00 179.45 178.98 1obm n ALA 57 N -2.49 3.00 -2.55 3.86 0.00 -0.72 -4.89 120.51 116.73 1obm n ALA 57 Ca -0.01 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1obm n ALA 57 Cb 0.32 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1obm n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1obm s SER 58 N -2.87 7.03 0.20 0.00 0.15 -0.73 -4.92 113.70 112.56 1obm s SER 58 Ca 0.16 1.53 -0.03 0.00 0.70 0.00 0.00 55.95 58.31 1obm s SER 58 Cb 0.19 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 62.09 1obm s SER 58 CO 0.59 -0.71 1.52 -0.08 1.20 0.00 0.00 173.24 175.76 1obm h GLU 59 N 7.80 0.55 -0.58 5.44 4.57 -1.90 -2.55 114.58 127.92 1obm h GLU 59 Ca -0.23 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.54 1obm h GLU 59 Cb 1.08 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 1obm h GLU 59 CO 0.97 0.94 0.05 -0.44 -1.18 0.00 0.00 179.01 179.35 1obm h ASP 60 N 0.42 0.96 -0.42 1.04 3.32 -1.97 -0.64 116.42 119.13 1obm h ASP 60 Ca 0.01 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1obm h ASP 60 Cb 1.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1obm h ASP 60 CO 0.10 1.01 0.10 0.25 -1.72 0.00 0.00 179.24 178.98 1obm h LEU 61 N 0.88 0.64 -0.58 1.55 6.46 -1.88 -1.77 115.31 120.62 1obm h LEU 61 Ca 0.17 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1obm h LEU 61 Cb 0.48 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1obm h LEU 61 CO 0.02 0.71 0.36 0.50 -0.62 0.00 0.00 178.44 179.41 1obm h LYS 62 N 0.54 0.78 -0.55 1.25 3.64 -1.29 -0.11 116.57 120.83 1obm h LYS 62 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1obm h LYS 62 Cb 0.32 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1obm h LYS 62 CO 0.00 0.54 0.35 0.87 -2.27 0.00 0.00 179.45 178.94 1obm h LYS 63 N 0.78 0.73 -0.47 1.90 1.57 -0.92 -2.04 116.57 118.13 1obm h LYS 63 Ca 0.21 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1obm h LYS 63 Cb -0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1obm h LYS 63 CO -0.04 0.51 0.03 0.37 -0.57 0.00 0.00 179.45 179.74 1obm h GLN 64 N 0.74 0.75 -0.73 3.15 5.75 -0.99 -1.77 115.11 122.01 1obm h GLN 64 Ca 0.20 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1obm h GLN 64 Cb -0.05 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 1obm h GLN 64 CO -0.04 0.75 0.45 0.78 -2.65 0.00 0.00 178.83 178.12 1obm h GLY 65 N 0.95 1.06 0.84 2.39 0.00 -0.49 -0.43 103.07 107.39 1obm h GLY 65 Ca 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1obm h GLY 65 CO 0.01 0.42 -0.00 -2.08 0.00 0.00 0.00 176.54 174.89 1obm h VAL 66 N 1.00 1.26 -0.37 4.60 2.07 -1.08 -0.79 116.25 122.94 1obm h VAL 66 Ca 0.26 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1obm h VAL 66 Cb -0.05 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1obm h VAL 66 CO -0.05 0.28 0.15 0.74 0.02 0.00 0.00 177.57 178.71 1obm h THR 67 N 0.18 0.92 0.03 2.57 2.02 -1.19 -0.67 112.91 116.77 1obm h THR 67 Ca 0.07 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1obm h THR 67 Cb 0.41 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1obm h THR 67 CO 0.01 0.06 -0.03 0.15 0.37 0.00 0.00 175.52 176.08 1obm h PHE 68 N 0.32 -0.08 -0.45 3.16 3.57 -0.99 -2.31 116.94 120.17 1obm h PHE 68 Ca 0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1obm h PHE 68 Cb 0.12 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1obm h PHE 68 CO -0.13 -0.05 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.70 1obm h LEU 69 N -0.07 0.83 -0.59 0.59 3.38 -0.95 -1.20 115.31 117.30 1obm h LEU 69 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1obm h LEU 69 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1obm h LEU 69 CO -0.01 0.98 0.23 0.74 0.09 0.00 0.00 178.44 180.47 1obm h THR 70 N 0.75 1.23 -0.48 0.22 2.02 -1.09 0.77 112.91 116.32 1obm h THR 70 Ca 0.12 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1obm h THR 70 Cb 0.65 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1obm h THR 70 CO 0.05 0.28 0.14 0.00 0.37 0.00 0.00 175.52 176.36 1obm h ALA 71 N 1.08 0.64 -0.57 6.16 0.00 -1.14 -2.04 119.26 123.39 1obm h ALA 71 Ca 0.20 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1obm h ALA 71 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1obm h ALA 71 CO -0.01 0.30 0.10 1.25 0.00 0.00 0.00 179.25 180.89 1obm h LEU 72 N 0.65 0.90 -0.86 0.00 5.85 -1.04 -2.50 115.31 118.31 1obm h LEU 72 Ca 0.15 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1obm h LEU 72 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1obm h LEU 72 CO -0.00 0.93 0.54 1.23 -0.34 0.00 0.00 178.44 180.80 1obm h GLY 73 N 0.83 1.26 1.46 3.75 0.00 -0.72 -0.96 103.07 108.70 1obm h GLY 73 Ca 0.17 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1obm h GLY 73 CO 0.01 0.32 -0.12 0.00 0.00 0.00 0.00 176.54 176.75 1obm h ALA 74 N 1.37 1.11 -0.04 3.60 0.00 -1.09 -1.41 119.26 122.80 1obm h ALA 74 Ca 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1obm h ALA 74 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1obm h ALA 74 CO -0.14 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 1obm h ILE 75 N 0.58 1.32 -0.82 0.00 2.04 -0.97 -3.09 117.51 116.59 1obm h ILE 75 Ca 0.10 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1obm h ILE 75 Cb 0.55 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1obm h ILE 75 CO 0.03 0.27 0.54 -0.07 0.00 0.00 0.00 178.15 178.93 1obm h LEU 76 N -0.30 0.93 -1.45 1.44 3.38 -0.98 -1.71 115.31 116.63 1obm h LEU 76 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1obm h LEU 76 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1obm h LEU 76 CO 0.01 0.67 0.00 0.11 0.09 0.00 0.00 178.44 179.32 1obm h LYS 77 N 1.10 0.00 0.00 1.13 1.57 -1.23 -1.51 116.57 117.63 1obm h LYS 77 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1obm h LYS 77 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1obm h LYS 77 CO -0.07 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.68 1obm h LYS 78 N 0.00 0.00 -6.14 3.15 1.79 -1.22 -3.48 116.57 110.67 1obm h LYS 78 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 1obm h LYS 78 Cb 0.33 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1obm h LYS 78 CO 0.00 0.00 -0.79 1.63 -1.08 0.00 0.00 179.45 179.21 1obm n LYS 79 N -2.38 -5.36 0.00 3.15 5.02 -0.57 -2.03 118.16 115.99 1obm n LYS 79 Ca 0.04 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1obm n LYS 79 Cb 0.34 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 1obm n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1obm n GLY 80 N -1.63 3.22 2.65 0.72 0.00 -1.26 -4.96 105.19 103.93 1obm n GLY 80 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1obm n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1obm n HIS 81 N -2.00 2.65 -0.95 1.61 8.25 -0.86 -4.67 115.22 119.25 1obm n HIS 81 Ca 0.00 -2.69 0.09 0.00 -0.26 0.00 0.00 57.72 54.85 1obm n HIS 81 Cb 0.00 -1.55 0.22 0.00 1.12 0.00 0.00 29.99 29.78 1obm n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1obm n HIS 82 N 1.29 0.67 -0.12 4.41 1.44 -1.26 -4.74 115.22 116.91 1obm n HIS 82 Ca 0.50 -0.88 -0.05 0.00 -2.01 0.00 0.00 57.72 55.28 1obm n HIS 82 Cb 0.27 -0.25 0.01 0.00 0.12 0.00 0.00 29.99 30.14 1obm n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1obm h GLU 83 N 1.35 -0.06 -0.59 -1.40 9.09 -2.00 0.08 114.58 121.04 1obm h GLU 83 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.35 1obm h GLU 83 Cb 1.28 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.37 1obm h GLU 83 CO 0.15 -0.04 0.11 0.00 0.05 0.00 0.00 179.01 179.28 1obm h ALA 84 N 1.28 1.07 -0.05 1.06 0.00 -2.01 -2.72 119.26 117.89 1obm h ALA 84 Ca 0.20 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1obm h ALA 84 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1obm h ALA 84 CO -0.45 0.61 -0.56 0.93 0.00 0.00 0.00 179.25 179.78 1obm h GLU 85 N 0.90 0.15 0.00 0.00 3.07 -1.73 -3.19 114.58 113.78 1obm h GLU 85 Ca 0.19 -0.09 -0.11 0.00 -0.50 0.00 0.00 59.36 58.84 1obm h GLU 85 Cb 0.38 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1obm h GLU 85 CO 0.01 0.67 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.68 1obm h LEU 86 N 0.11 0.00 0.41 1.33 4.07 -0.70 -3.34 115.31 117.20 1obm h LEU 86 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1obm h LEU 86 Cb 1.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 1obm h LEU 86 CO 0.08 0.53 -0.40 0.11 -1.08 0.00 0.00 178.44 177.68 1obm h LYS 87 N 0.00 -0.80 0.00 1.13 1.57 -1.51 0.11 116.57 117.07 1obm h LYS 87 Ca -0.01 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1obm h LYS 87 Cb 0.94 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1obm h LYS 87 CO 0.07 -0.53 -0.31 -1.00 -0.57 0.00 0.00 179.45 177.11 1obm h PRO 88 N -0.83 0.00 -0.23 3.15 0.13 -1.76 -1.65 132.00 130.81 1obm h PRO 88 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 1obm h PRO 88 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1obm h PRO 88 CO -0.06 0.31 -0.26 1.25 -0.23 0.00 0.00 178.00 179.02 1obm h LEU 89 N 0.00 0.62 -0.39 1.56 5.85 -1.63 -1.96 115.31 119.35 1obm h LEU 89 Ca -0.00 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1obm h LEU 89 Cb 0.62 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1obm h LEU 89 CO 0.04 0.98 0.07 0.00 -0.34 0.00 0.00 178.44 179.19 1obm h ALA 90 N 0.66 0.52 -0.19 1.25 0.00 -0.59 -1.65 119.26 119.25 1obm h ALA 90 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1obm h ALA 90 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1obm h ALA 90 CO 0.06 0.22 0.11 0.37 0.00 0.00 0.00 179.25 180.02 1obm h GLN 91 N 0.49 0.25 -0.35 0.00 4.15 -1.24 -0.65 115.11 117.77 1obm h GLN 91 Ca 0.12 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1obm h GLN 91 Cb 0.36 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1obm h GLN 91 CO 0.01 0.21 -0.21 0.66 -1.93 0.00 0.00 178.83 177.57 1obm h SER 92 N 0.22 0.79 0.79 -0.69 4.64 -1.29 -1.21 113.55 116.81 1obm h SER 92 Ca 0.07 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 60.88 1obm h SER 92 Cb 0.02 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1obm h SER 92 CO -0.01 1.04 -0.39 0.45 -0.87 0.00 0.00 176.83 177.05 1obm h HIS 93 N 0.55 0.00 0.05 4.77 3.86 -1.26 -0.10 115.15 123.02 1obm h HIS 93 Ca 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 1obm h HIS 93 Cb 0.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1obm h HIS 93 CO 0.06 0.39 -0.74 0.00 0.86 0.00 0.00 177.93 178.50 1obm h ALA 94 N 1.61 0.09 0.13 2.45 0.00 -1.06 0.14 119.26 122.62 1obm h ALA 94 Ca -0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 54.91 53.73 1obm h ALA 94 Cb 0.89 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1obm h ALA 94 CO 0.05 0.41 -1.83 1.15 0.00 0.00 0.00 179.25 179.03 1obm h THR 95 N -0.75 0.81 0.00 0.00 2.02 -1.27 -3.25 112.91 110.48 1obm h THR 95 Ca -0.17 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1obm h THR 95 Cb 1.34 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1obm h THR 95 CO -0.02 0.83 -0.59 1.17 0.37 0.00 0.00 175.52 177.29 1obm n LYS 96 N -3.46 0.46 0.13 6.66 4.81 -0.27 -4.66 118.16 121.84 1obm n LYS 96 Ca -0.26 0.47 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1obm n LYS 96 Cb 1.06 -1.64 0.01 0.00 0.02 0.00 0.00 35.03 34.47 1obm n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1obm h HIS 97 N -0.99 0.00 -5.60 5.64 -0.00 -1.26 -3.49 115.15 109.45 1obm h HIS 97 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 1obm h HIS 97 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.01 1obm h HIS 97 CO -0.25 0.59 -0.23 1.63 -0.00 0.00 0.00 177.93 179.66 1obm n LYS 98 N -3.26 -1.40 -3.60 2.45 4.01 -0.54 -4.99 118.16 110.83 1obm n LYS 98 Ca 0.02 1.33 -0.40 0.00 -0.51 0.00 0.00 58.31 58.75 1obm n LYS 98 Cb 0.76 -5.22 -0.11 0.00 -0.51 0.00 0.00 35.03 29.95 1obm n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1obm s ILE 99 N -3.03 4.63 0.65 -0.18 -1.09 0.39 -5.01 121.20 117.55 1obm s ILE 99 Ca 0.04 -0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 1obm s ILE 99 Cb -0.01 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1obm s ILE 99 CO 0.77 -0.16 1.15 -2.16 -1.23 0.00 0.00 174.94 173.31 1obm s PRO 100 N 1.58 2.72 0.52 2.79 0.04 -1.26 -4.78 135.00 136.61 1obm s PRO 100 Ca 0.03 1.57 0.24 0.00 0.04 0.00 0.00 61.00 62.88 1obm s PRO 100 Cb -0.19 -1.93 1.35 0.00 0.04 0.00 0.00 34.50 33.78 1obm s PRO 100 CO 0.07 -1.34 1.99 0.82 0.04 0.00 0.00 177.00 178.58 1obm h ILE 101 N 0.21 0.75 0.00 0.56 1.08 -1.53 0.31 117.51 118.89 1obm h ILE 101 Ca -0.48 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1obm h ILE 101 Cb 1.27 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1obm h ILE 101 CO 0.53 0.01 -0.19 0.50 -0.69 0.00 0.00 178.15 178.31 1obm h LYS 102 N 0.05 0.00 0.00 2.37 1.63 -1.91 -1.84 116.57 116.87 1obm h LYS 102 Ca 0.26 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.94 1obm h LYS 102 Cb 0.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1obm h LYS 102 CO -0.02 0.19 -0.56 1.88 -3.45 0.00 0.00 179.45 177.50 1obm h TYR 103 N 0.00 0.00 -0.10 1.91 -1.99 -1.28 -1.58 116.97 113.93 1obm h TYR 103 Ca -0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1obm h TYR 103 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1obm h TYR 103 CO 0.00 0.56 -0.65 -0.07 -0.00 0.00 0.00 178.16 178.00 1obm h LEU 104 N 0.00 0.43 -0.45 3.88 3.38 -1.30 -1.80 115.31 119.45 1obm h LEU 104 Ca -0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1obm h LEU 104 Cb 1.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1obm h LEU 104 CO 0.07 0.96 0.06 -0.33 0.09 0.00 0.00 178.44 179.30 1obm h GLU 105 N 0.27 0.75 -0.71 1.13 5.08 -1.00 -2.37 114.58 117.73 1obm h GLU 105 Ca -0.01 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1obm h GLU 105 Cb 1.19 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1obm h GLU 105 CO 0.11 0.78 0.47 0.74 -1.00 0.00 0.00 179.01 180.11 1obm h PHE 106 N 0.61 0.89 0.00 4.33 0.04 -1.13 -1.92 116.94 119.76 1obm h PHE 106 Ca 0.13 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1obm h PHE 106 Cb 0.40 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1obm h PHE 106 CO 0.03 0.55 -0.46 0.97 -0.60 0.00 0.00 178.31 178.80 1obm h ILE 107 N 0.95 1.16 -0.56 -0.55 2.10 -1.27 -2.16 117.51 117.18 1obm h ILE 107 Ca 0.26 -1.67 -0.06 0.00 1.08 0.00 0.00 64.86 64.47 1obm h ILE 107 Cb -0.10 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.55 1obm h ILE 107 CO -0.06 0.45 0.11 0.28 -1.08 0.00 0.00 178.15 177.85 1obm h SER 108 N 0.00 0.87 -0.78 2.19 0.02 -0.92 -0.26 113.55 114.67 1obm h SER 108 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1obm h SER 108 Cb 0.91 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1obm h SER 108 CO 0.06 0.90 0.44 -0.08 -1.14 0.00 0.00 176.83 177.01 1obm h GLU 109 N 0.81 1.07 -0.42 3.45 4.81 -1.10 -1.26 114.58 121.94 1obm h GLU 109 Ca 0.17 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1obm h GLU 109 Cb 0.39 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1obm h GLU 109 CO 0.01 0.78 -0.17 0.00 -0.73 0.00 0.00 179.01 178.89 1obm h ALA 110 N 1.23 0.91 -0.32 2.92 0.00 -0.83 -1.17 119.26 122.00 1obm h ALA 110 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1obm h ALA 110 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1obm h ALA 110 CO -0.05 0.62 0.10 0.82 0.00 0.00 0.00 179.25 180.74 1obm h ILE 111 N 0.71 1.21 -0.81 0.00 2.04 -0.74 -1.70 117.51 118.22 1obm h ILE 111 Ca 0.11 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1obm h ILE 111 Cb 0.68 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1obm h ILE 111 CO 0.05 0.23 0.40 0.40 0.00 0.00 0.00 178.15 179.22 1obm h ILE 112 N 0.36 1.25 -0.21 -0.67 2.04 -1.04 -1.51 117.51 117.72 1obm h ILE 112 Ca 0.10 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1obm h ILE 112 Cb 0.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1obm h ILE 112 CO -0.00 0.29 0.10 -0.74 0.00 0.00 0.00 178.15 177.80 1obm h HIS 113 N 1.14 0.30 -0.49 1.37 2.76 -0.96 -1.47 115.15 117.80 1obm h HIS 113 Ca 0.28 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1obm h HIS 113 Cb 0.10 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1obm h HIS 113 CO 0.01 0.31 -0.04 0.28 -1.30 0.00 0.00 177.93 177.20 1obm h VAL 114 N 0.20 1.27 -0.44 5.26 2.07 -1.12 -1.14 116.25 122.36 1obm h VAL 114 Ca 0.07 -1.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 1obm h VAL 114 Cb 0.13 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1obm h VAL 114 CO -0.01 0.40 -0.19 -0.07 0.02 0.00 0.00 177.57 177.72 1obm h LEU 115 N 0.75 0.87 -0.74 2.57 3.38 -1.20 -0.48 115.31 120.45 1obm h LEU 115 Ca 0.13 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1obm h LEU 115 Cb 0.57 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1obm h LEU 115 CO 0.03 1.04 0.39 -0.74 0.09 0.00 0.00 178.44 179.25 1obm h HIS 116 N 0.75 1.03 -0.14 1.13 2.76 -1.13 -0.09 115.15 119.47 1obm h HIS 116 Ca 0.11 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1obm h HIS 116 Cb 0.72 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 1obm h HIS 116 CO 0.04 0.74 -0.19 0.77 -1.30 0.00 0.00 177.93 177.99 1obm h SER 117 N 1.03 0.41 1.20 3.26 0.02 -0.88 -3.29 113.55 115.29 1obm h SER 117 Ca 0.26 -0.51 -0.15 0.00 -0.84 0.00 0.00 61.79 60.55 1obm h SER 117 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1obm h SER 117 CO -0.04 0.84 -0.83 0.03 -1.14 0.00 0.00 176.83 175.69 1obm h ARG 118 N -0.01 0.00 -1.63 3.45 3.08 -1.06 -3.40 114.38 114.81 1obm h ARG 118 Ca 0.02 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.57 1obm h ARG 118 Cb 0.74 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.38 1obm h ARG 118 CO 0.04 0.58 -0.96 0.72 -1.07 0.00 0.00 179.97 179.28 1obm n HIS 119 N -3.19 2.13 -0.32 3.04 8.25 -0.05 -4.95 115.22 120.13 1obm n HIS 119 Ca -0.01 -3.36 0.10 0.00 -0.26 0.00 0.00 57.72 54.18 1obm n HIS 119 Cb 0.81 -0.33 0.31 0.00 1.12 0.00 0.00 29.99 31.90 1obm n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1obm h PRO 120 N 2.88 0.82 0.00 -0.41 0.13 -1.72 -0.31 132.00 133.39 1obm h PRO 120 Ca 0.10 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1obm h PRO 120 Cb 0.92 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1obm h PRO 120 CO 0.66 0.54 -0.25 0.78 -0.23 0.00 0.00 178.00 179.50 1obm h GLY 121 N 0.84 0.00 -1.49 1.56 0.00 -1.92 -2.77 103.07 99.29 1obm h GLY 121 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1obm h GLY 121 CO -0.24 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.00 1obm n ASN 122 N -3.47 3.23 -3.05 0.19 3.02 -0.59 -4.62 115.26 109.97 1obm n ASN 122 Ca -0.00 -2.20 -0.18 0.00 -0.03 0.00 0.00 54.58 52.17 1obm n ASN 122 Cb 0.42 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1obm n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1obm n PHE 123 N 0.43 0.91 -1.30 3.10 7.35 -0.23 -4.65 117.46 123.07 1obm n PHE 123 Ca 0.15 -3.64 -0.15 0.00 -0.76 0.00 0.00 57.45 53.05 1obm n PHE 123 Cb 0.54 -0.41 0.11 0.00 0.35 0.00 0.00 39.48 40.06 1obm n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1obm n GLY 124 N 0.14 -1.62 0.18 7.13 0.00 -1.25 -4.65 105.19 105.11 1obm n GLY 124 Ca 0.23 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 1obm n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1obm h ALA 125 N -2.01 0.47 -0.62 4.61 0.00 -1.98 -0.66 119.26 119.06 1obm h ALA 125 Ca -0.21 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1obm h ALA 125 Cb 0.60 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1obm h ALA 125 CO 0.15 -0.31 0.23 -0.44 0.00 0.00 0.00 179.25 178.88 1obm h ASP 126 N 0.23 0.87 -0.60 0.00 3.32 -1.99 -0.81 116.42 117.42 1obm h ASP 126 Ca 0.20 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1obm h ASP 126 Cb 0.25 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1obm h ASP 126 CO -0.26 0.81 0.08 0.00 -1.72 0.00 0.00 179.24 178.15 1obm h ALA 127 N 1.09 0.95 -0.51 3.45 0.00 -1.81 -0.92 119.26 121.51 1obm h ALA 127 Ca 0.20 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1obm h ALA 127 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1obm h ALA 127 CO -0.01 0.65 -0.12 0.37 0.00 0.00 0.00 179.25 180.13 1obm h GLN 128 N 0.97 0.98 -0.83 0.00 4.15 -0.94 -0.75 115.11 118.69 1obm h GLN 128 Ca 0.19 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 1obm h GLN 128 Cb 0.45 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1obm h GLN 128 CO 0.02 1.05 0.50 0.78 -1.93 0.00 0.00 178.83 179.25 1obm h GLY 129 N 0.85 1.20 0.99 2.39 0.00 -0.77 0.14 103.07 107.87 1obm h GLY 129 Ca 0.13 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1obm h GLY 129 CO 0.05 0.48 -0.03 0.00 0.00 0.00 0.00 176.54 177.05 1obm h ALA 130 N 1.27 0.60 -0.48 3.60 0.00 -0.84 -0.68 119.26 122.75 1obm h ALA 130 Ca 0.30 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1obm h ALA 130 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1obm h ALA 130 CO -0.06 0.42 0.10 1.98 0.00 0.00 0.00 179.25 181.69 1obm h MET 131 N 0.65 0.78 -0.69 0.00 -1.53 -0.84 -0.84 114.93 112.46 1obm h MET 131 Ca 0.12 -0.20 -0.02 0.00 -3.44 0.00 0.00 59.70 56.17 1obm h MET 131 Cb 0.54 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.46 1obm h MET 131 CO 0.03 0.77 0.36 -0.97 0.14 0.00 0.00 176.91 177.24 1obm h ASN 132 N 0.65 0.87 -0.75 1.39 -1.24 -0.63 -0.81 115.58 115.07 1obm h ASN 132 Ca 0.15 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1obm h ASN 132 Cb 0.36 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 1obm h ASN 132 CO 0.01 0.73 0.48 0.50 -1.29 0.00 0.00 177.43 177.86 1obm h LYS 133 N 0.95 0.99 -0.59 6.67 3.64 -0.75 0.68 116.57 128.15 1obm h LYS 133 Ca 0.24 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1obm h LYS 133 Cb 0.07 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1obm h LYS 133 CO -0.04 0.68 0.17 0.00 -2.27 0.00 0.00 179.45 177.99 1obm h ALA 134 N 1.26 0.78 -0.12 5.00 0.00 -0.79 -1.26 119.26 124.13 1obm h ALA 134 Ca 0.27 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1obm h ALA 134 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1obm h ALA 134 CO -0.06 0.47 -0.59 -0.07 0.00 0.00 0.00 179.25 179.00 1obm h LEU 135 N 0.85 0.43 -0.71 0.00 3.38 -0.89 -1.48 115.31 116.90 1obm h LEU 135 Ca 0.19 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1obm h LEU 135 Cb 0.32 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1obm h LEU 135 CO -0.00 0.92 0.16 -0.33 0.09 0.00 0.00 178.44 179.28 1obm h GLU 136 N 0.29 1.14 0.04 1.13 5.08 -0.70 -0.77 114.58 120.79 1obm h GLU 136 Ca -0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1obm h GLU 136 Cb 1.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1obm h GLU 136 CO 0.10 1.01 -0.02 1.25 -1.00 0.00 0.00 179.01 180.35 1obm h LEU 137 N 1.08 -0.05 -0.36 1.33 5.85 -1.03 0.29 115.31 122.41 1obm h LEU 137 Ca 0.22 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1obm h LEU 137 Cb 0.39 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1obm h LEU 137 CO 0.00 0.02 0.02 0.15 -0.34 0.00 0.00 178.44 178.30 1obm h PHE 138 N -0.12 0.02 -0.92 1.25 3.57 -1.11 -1.45 116.94 118.19 1obm h PHE 138 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1obm h PHE 138 Cb 0.10 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1obm h PHE 138 CO -0.06 -0.05 0.56 0.00 -2.23 0.00 0.00 178.31 176.54 1obm h ARG 139 N 0.12 1.25 -0.27 1.11 3.08 -0.94 -0.27 114.38 118.45 1obm h ARG 139 Ca 0.17 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1obm h ARG 139 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1obm h ARG 139 CO -0.28 0.86 0.04 -0.22 -1.07 0.00 0.00 179.97 179.31 1obm h LYS 140 N 1.27 0.46 -0.44 0.04 3.64 -0.47 -0.73 116.57 120.34 1obm h LYS 140 Ca 0.33 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1obm h LYS 140 Cb -0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1obm h LYS 140 CO -0.06 0.58 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.20 1obm h ASP 141 N 0.27 0.80 0.17 4.20 5.19 -1.14 -2.09 116.42 123.83 1obm h ASP 141 Ca 0.08 -0.33 -0.12 0.00 -0.62 0.00 0.00 57.03 56.04 1obm h ASP 141 Cb 0.34 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1obm h ASP 141 CO 0.01 0.94 -0.43 -0.29 -3.12 0.00 0.00 179.24 176.35 1obm h ILE 142 N 0.64 1.32 -0.68 0.35 2.10 -1.00 -2.19 117.51 118.05 1obm h ILE 142 Ca 0.12 -1.59 -0.03 0.00 1.08 0.00 0.00 64.86 64.44 1obm h ILE 142 Cb 0.56 1.69 -0.03 0.00 -1.09 0.00 0.00 36.82 37.95 1obm h ILE 142 CO 0.03 0.48 0.30 0.00 -1.08 0.00 0.00 178.15 177.88 1obm h ALA 143 N 1.28 0.88 -0.58 0.18 0.00 -0.96 0.84 119.26 120.89 1obm h ALA 143 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1obm h ALA 143 Cb 0.87 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1obm h ALA 143 CO 0.07 0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.95 1obm h ALA 144 N 1.14 1.19 -0.30 0.00 0.00 -1.18 -1.94 119.26 118.17 1obm h ALA 144 Ca 0.23 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1obm h ALA 144 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1obm h ALA 144 CO -0.02 0.56 -0.48 -0.22 0.00 0.00 0.00 179.25 179.08 1obm h LYS 145 N 0.86 0.81 -0.67 0.00 1.63 -0.85 -2.33 116.57 116.02 1obm h LYS 145 Ca 0.19 -0.47 0.04 0.00 -0.85 0.00 0.00 60.65 59.56 1obm h LYS 145 Cb 0.28 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 1obm h LYS 145 CO -0.01 1.11 0.40 1.88 -3.45 0.00 0.00 179.45 179.38 1obm h TYR 146 N 0.64 0.74 -0.47 1.91 -1.99 -0.48 -0.97 116.97 116.35 1obm h TYR 146 Ca 0.03 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1obm h TYR 146 Cb 1.06 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.53 1obm h TYR 146 CO 0.06 0.40 0.28 -0.22 -0.00 0.00 0.00 178.16 178.68 1obm h LYS 147 N 0.76 0.64 -0.14 4.88 3.64 -1.14 -0.20 116.57 125.01 1obm h LYS 147 Ca 0.28 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1obm h LYS 147 Cb 0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1obm h LYS 147 CO -0.13 0.48 -0.11 0.93 -2.27 0.00 0.00 179.45 178.34 1obm h GLU 148 N 0.63 0.21 -0.00 1.90 5.08 -0.84 -2.28 114.58 119.28 1obm h GLU 148 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1obm h GLU 148 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1obm h GLU 148 CO -0.03 0.33 -0.09 1.28 -1.00 0.00 0.00 179.01 179.50 1obm n LEU 149 N -4.30 0.10 0.00 1.33 4.77 -0.43 -4.93 117.00 113.54 1obm n LEU 149 Ca -0.01 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1obm n LEU 149 Cb 0.25 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1obm n LEU 149 CO 0.37 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1obm n GLY 150 N 1.48 0.86 0.63 -0.72 0.00 -0.69 -4.99 105.19 101.76 1obm n GLY 150 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1obm n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1obm n TYR 151 N -2.25 0.00 -2.58 1.61 9.36 -0.17 -5.00 117.16 118.11 1obm n TYR 151 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1obm n TYR 151 Cb 0.00 -0.31 -0.01 0.00 -0.63 0.00 0.00 39.34 38.40 1obm n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1obm n GLN 152 N -3.77 -2.62 0.00 2.98 0.00 -0.97 -4.87 117.38 108.14 1obm n GLN 152 Ca -0.13 0.01 0.06 0.00 -0.00 0.00 0.00 57.00 56.94 1obm n GLN 152 Cb 0.40 -4.21 0.05 0.00 0.00 0.00 0.00 30.24 26.49 1obm n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47