#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo5 n LEU 13 N 0.00 -3.71 -0.32 -1.96 4.77 -1.26 -4.85 117.00 109.67 1xo5 n LEU 13 Ca 0.00 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.19 1xo5 n LEU 13 Cb 0.00 -2.69 0.26 0.00 -2.33 0.00 0.00 43.42 38.67 1xo5 n LEU 13 CO 0.00 0.35 1.14 0.00 -1.33 0.00 0.00 177.39 177.55 1xo5 h ALA 14 N 0.57 1.44 -0.18 -1.18 0.00 -2.02 -1.80 119.26 116.09 1xo5 h ALA 14 Ca -0.64 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1xo5 h ALA 14 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1xo5 h ALA 14 CO 0.49 -0.05 0.15 0.93 0.00 0.00 0.00 179.25 180.76 1xo5 h GLU 15 N 0.70 0.00 -0.65 0.00 3.07 -2.03 -1.25 114.58 114.42 1xo5 h GLU 15 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1xo5 h GLU 15 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1xo5 h GLU 15 CO -0.37 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 177.90 1xo5 n TYR 16 N -4.28 1.26 -3.38 4.33 0.53 -0.68 -4.92 117.16 110.03 1xo5 n TYR 16 Ca 0.01 -0.58 -0.34 0.00 -1.02 0.00 0.00 57.90 55.98 1xo5 n TYR 16 Cb 0.28 -0.16 -0.06 0.00 -1.03 0.00 0.00 39.34 38.37 1xo5 n TYR 16 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1xo5 s GLN 17 N -1.57 3.91 -0.59 -0.72 -1.52 -0.47 -5.04 119.66 113.66 1xo5 s GLN 17 Ca 0.49 0.41 -0.21 0.00 -1.95 0.00 0.00 55.36 54.10 1xo5 s GLN 17 Cb 0.30 -2.81 0.08 0.00 -0.22 0.00 0.00 33.01 30.35 1xo5 s GLN 17 CO 0.26 0.41 0.79 -0.51 -0.25 0.00 0.00 175.29 176.00 1xo5 s ASP 18 N -1.97 6.20 0.04 5.90 -0.00 -1.26 -5.03 116.67 120.56 1xo5 s ASP 18 Ca 0.42 -1.10 -0.30 0.00 -0.00 0.00 0.00 52.55 51.56 1xo5 s ASP 18 Cb -0.13 -2.35 -0.05 0.00 -0.00 0.00 0.00 42.92 40.39 1xo5 s ASP 18 CO 0.20 -1.19 1.14 -0.76 -0.00 0.00 0.00 175.17 174.56 1xo5 s LEU 19 N 3.22 4.37 -0.43 1.23 1.43 -1.26 -4.95 118.68 122.29 1xo5 s LEU 19 Ca 0.17 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1xo5 s LEU 19 Cb -0.20 -3.58 0.49 0.00 0.03 0.00 0.00 46.19 42.93 1xo5 s LEU 19 CO 0.10 -0.42 1.60 0.35 0.23 0.00 0.00 176.35 178.21 1xo5 n THR 20 N 3.93 2.96 0.03 5.49 -2.24 -1.26 -4.71 114.28 118.48 1xo5 n THR 20 Ca 0.08 -3.21 -0.09 0.00 -2.27 0.00 0.00 64.05 58.56 1xo5 n THR 20 Cb 0.48 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 1xo5 n THR 20 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1xo5 h PHE 21 N 1.70 0.09 -3.71 4.78 0.05 -1.92 -3.45 116.94 114.47 1xo5 h PHE 21 Ca 0.43 -0.06 -0.50 0.00 3.82 0.00 0.00 57.97 61.66 1xo5 h PHE 21 Cb 1.45 -0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.37 1xo5 h PHE 21 CO 1.16 1.07 0.24 -0.51 -0.18 0.00 0.00 178.31 180.09 1xo5 s LEU 22 N -6.56 4.41 0.82 1.54 1.43 -1.26 -4.84 118.68 114.21 1xo5 s LEU 22 Ca -0.03 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1xo5 s LEU 22 Cb 0.09 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.67 1xo5 s LEU 22 CO 0.83 0.03 1.10 0.42 0.23 0.00 0.00 176.35 178.96 1xo5 s THR 23 N -1.48 2.92 0.26 5.49 -4.23 -1.26 -4.87 115.64 112.47 1xo5 s THR 23 Ca 0.45 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.22 1xo5 s THR 23 Cb -0.19 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1xo5 s THR 23 CO 0.24 -0.39 1.87 0.11 -0.54 0.00 0.00 174.62 175.91 1xo5 h LYS 24 N -1.18 1.09 -0.56 3.99 6.56 -1.99 -1.13 116.57 123.34 1xo5 h LYS 24 Ca -0.48 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.01 1xo5 h LYS 24 Cb 1.28 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 32.67 1xo5 h LYS 24 CO 0.59 0.72 0.21 0.37 -2.06 0.00 0.00 179.45 179.28 1xo5 h GLN 25 N 1.12 0.85 -0.73 3.15 4.15 -1.99 -1.73 115.11 119.93 1xo5 h GLN 25 Ca 0.42 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1xo5 h GLN 25 Cb 0.18 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1xo5 h GLN 25 CO -0.18 0.74 0.40 0.93 -1.93 0.00 0.00 178.83 178.80 1xo5 h GLU 26 N 0.77 1.01 -0.33 1.69 5.08 -1.79 0.14 114.58 121.15 1xo5 h GLU 26 Ca 0.19 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xo5 h GLU 26 Cb 0.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xo5 h GLU 26 CO -0.01 0.75 0.19 0.82 -1.00 0.00 0.00 179.01 179.76 1xo5 h ILE 27 N 1.00 1.04 -0.38 3.13 1.08 -0.99 0.05 117.51 122.45 1xo5 h ILE 27 Ca 0.26 -0.14 -0.14 0.00 -0.39 0.00 0.00 64.86 64.45 1xo5 h ILE 27 Cb 0.03 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1xo5 h ILE 27 CO -0.04 0.07 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.09 1xo5 h LEU 28 N 0.40 0.90 -0.46 1.44 3.38 -0.83 -1.75 115.31 118.39 1xo5 h LEU 28 Ca 0.13 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1xo5 h LEU 28 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xo5 h LEU 28 CO -0.05 1.15 -0.23 -0.07 0.09 0.00 0.00 178.44 179.32 1xo5 h LEU 29 N 0.72 1.00 -0.88 1.67 3.38 -0.59 -2.07 115.31 118.53 1xo5 h LEU 29 Ca 0.07 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1xo5 h LEU 29 Cb 0.89 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1xo5 h LEU 29 CO 0.08 1.18 0.56 0.00 0.09 0.00 0.00 178.44 180.36 1xo5 h ALA 30 N 0.84 1.18 -0.61 1.53 0.00 -0.88 -1.86 119.26 119.47 1xo5 h ALA 30 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xo5 h ALA 30 Cb 0.81 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xo5 h ALA 30 CO 0.07 0.38 0.32 1.25 0.00 0.00 0.00 179.25 181.27 1xo5 h HIS 31 N 1.07 0.86 -0.77 0.00 -0.00 -0.98 -0.02 115.15 115.31 1xo5 h HIS 31 Ca 0.36 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1xo5 h HIS 31 Cb 0.06 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.16 1xo5 h HIS 31 CO -0.02 0.63 0.51 -0.09 -0.00 0.00 0.00 177.93 178.96 1xo5 h ARG 32 N 0.84 1.01 -0.47 5.26 2.43 -0.92 -0.50 114.38 122.02 1xo5 h ARG 32 Ca 0.21 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1xo5 h ARG 32 Cb 0.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1xo5 h ARG 32 CO -0.03 0.67 -0.23 0.00 -1.51 0.00 0.00 179.97 178.87 1xo5 h ARG 33 N 1.04 0.98 -0.75 0.20 3.08 -1.05 -2.75 114.38 115.13 1xo5 h ARG 33 Ca 0.28 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1xo5 h ARG 33 Cb -0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1xo5 h ARG 33 CO -0.06 1.10 0.45 0.35 -1.07 0.00 0.00 179.97 180.74 1xo5 h PHE 34 N 0.84 0.99 0.00 3.04 3.57 -0.79 -2.76 116.94 121.84 1xo5 h PHE 34 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1xo5 h PHE 34 Cb 0.81 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1xo5 h PHE 34 CO 0.05 0.67 -0.25 0.00 -2.23 0.00 0.00 178.31 176.55 1xo5 h GLU 36 N 0.00 0.00 -0.00 0.00 5.08 -1.20 -1.94 114.58 116.52 1xo5 h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xo5 h GLU 36 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xo5 h GLU 36 CO 0.03 0.00 -0.18 1.28 -1.00 0.00 0.00 179.01 179.14 1xo5 n LEU 37 N -3.11 0.39 -4.81 1.33 4.77 -0.64 -4.92 117.00 110.02 1xo5 n LEU 37 Ca -0.02 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.79 1xo5 n LEU 37 Cb 0.16 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1xo5 n LEU 37 CO 0.23 0.08 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.39 1xo5 s LEU 38 N -2.72 3.90 0.53 2.23 1.43 -0.73 -5.05 118.68 118.27 1xo5 s LEU 38 Ca 0.21 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 1xo5 s LEU 38 Cb 0.19 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 1xo5 s LEU 38 CO 0.54 0.12 1.15 -2.65 0.23 0.00 0.00 176.35 175.74 1xo5 n PRO 39 N 0.03 1.36 -0.34 1.29 -0.02 -1.26 -4.86 135.00 131.19 1xo5 n PRO 39 Ca -0.08 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.10 1xo5 n PRO 39 Cb 0.53 -2.32 0.42 0.00 -0.02 0.00 0.00 33.50 32.11 1xo5 n PRO 39 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1xo5 h GLN 40 N 1.16 0.49 0.00 -0.52 5.75 -1.98 0.69 115.11 120.71 1xo5 h GLN 40 Ca -0.49 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1xo5 h GLN 40 Cb 1.33 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1xo5 h GLN 40 CO 0.55 0.33 0.00 1.49 -2.65 0.00 0.00 178.83 178.55 1xo5 h GLU 41 N 0.51 0.00 -0.69 1.69 4.81 -2.00 -2.82 114.58 116.09 1xo5 h GLU 41 Ca 0.66 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1xo5 h GLU 41 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1xo5 h GLU 41 CO -0.47 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 178.85 1xo5 n GLN 42 N -2.82 3.16 0.00 1.92 1.13 0.23 -4.50 117.38 116.51 1xo5 n GLN 42 Ca 0.01 -2.67 0.14 0.00 -1.94 0.00 0.00 57.00 52.53 1xo5 n GLN 42 Cb 0.25 -1.72 0.52 0.00 0.11 0.00 0.00 30.24 29.40 1xo5 n GLN 42 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xo5 n ARG 43 N 1.34 1.15 -1.16 -1.09 1.74 -1.06 -1.78 116.66 115.79 1xo5 n ARG 43 Ca 0.24 -0.60 -0.33 0.00 -0.77 0.00 0.00 57.85 56.40 1xo5 n ARG 43 Cb 0.74 -1.49 0.12 0.00 -1.02 0.00 0.00 32.46 30.81 1xo5 n ARG 43 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xo5 s SER 44 N -2.26 3.82 0.17 0.55 1.04 -1.26 -4.74 113.70 111.02 1xo5 s SER 44 Ca 0.32 2.22 -0.15 0.00 0.48 0.00 0.00 55.95 58.82 1xo5 s SER 44 Cb 0.20 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.89 1xo5 s SER 44 CO 0.43 -2.51 1.71 0.58 0.98 0.00 0.00 173.24 174.43 1xo5 h VAL 45 N -0.95 0.72 -0.19 5.02 2.07 -1.99 0.23 116.25 121.17 1xo5 h VAL 45 Ca -0.45 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 1xo5 h VAL 45 Cb 1.28 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1xo5 h VAL 45 CO 0.47 0.03 -0.48 -0.33 0.02 0.00 0.00 177.57 177.28 1xo5 h GLU 46 N 0.16 0.66 -0.46 1.57 3.07 -1.93 -2.57 114.58 115.08 1xo5 h GLU 46 Ca 0.21 -0.45 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1xo5 h GLU 46 Cb 0.29 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1xo5 h GLU 46 CO -0.31 1.07 0.20 0.77 -1.40 0.00 0.00 179.01 179.34 1xo5 h SER 47 N 0.34 0.62 0.09 1.42 0.02 -1.78 -3.05 113.55 111.22 1xo5 h SER 47 Ca -0.01 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1xo5 h SER 47 Cb 1.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1xo5 h SER 47 CO 0.10 0.60 -0.19 0.77 -1.14 0.00 0.00 176.83 176.97 1xo5 h SER 48 N 0.59 0.18 1.48 3.07 4.64 -0.13 -2.10 113.55 121.29 1xo5 h SER 48 Ca 0.15 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1xo5 h SER 48 Cb 0.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xo5 h SER 48 CO -0.02 0.39 0.00 -0.07 -0.87 0.00 0.00 176.83 176.26 1xo5 h LEU 49 N 0.18 0.00 0.00 5.97 3.38 -1.37 -2.83 115.31 120.64 1xo5 h LEU 49 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xo5 h LEU 49 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xo5 h LEU 49 CO 0.03 0.00 -0.58 0.54 0.09 0.00 0.00 178.44 178.52 1xo5 n ARG 50 N -2.31 0.17 -2.21 1.13 1.74 -0.83 -4.76 116.66 109.59 1xo5 n ARG 50 Ca 0.05 0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 1xo5 n ARG 50 Cb 0.43 -1.60 0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1xo5 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xo5 s ALA 51 N -3.10 2.70 -0.18 7.54 0.00 -0.96 -5.04 121.76 122.72 1xo5 s ALA 51 Ca 0.08 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1xo5 s ALA 51 Cb 0.15 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1xo5 s ALA 51 CO 0.71 -0.83 -0.14 -0.65 0.00 0.00 0.00 175.76 174.84 1xo5 s GLN 52 N -3.23 2.39 -0.27 0.00 -1.52 -1.26 -4.33 119.66 111.43 1xo5 s GLN 52 Ca 0.73 -0.75 -0.12 0.00 -1.95 0.00 0.00 55.36 53.27 1xo5 s GLN 52 Cb -0.26 -2.35 -0.05 0.00 -0.22 0.00 0.00 33.01 30.14 1xo5 s GLN 52 CO 0.29 -0.30 0.24 0.08 -0.25 0.00 0.00 175.29 175.35 1xo5 s VAL 53 N 1.39 5.27 0.67 1.09 1.01 0.31 -4.89 120.40 125.25 1xo5 s VAL 53 Ca 0.02 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1xo5 s VAL 53 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1xo5 s VAL 53 CO -0.10 0.23 1.28 -2.65 0.00 0.00 0.00 175.10 173.86 1xo5 n PRO 54 N 5.05 0.97 -0.28 2.72 -0.02 -1.26 -1.39 135.00 140.78 1xo5 n PRO 54 Ca -0.12 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1xo5 n PRO 54 Cb 0.52 -2.52 0.35 0.00 -0.02 0.00 0.00 33.50 31.83 1xo5 n PRO 54 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1xo5 h PHE 55 N 0.30 0.88 -0.99 6.00 0.05 -1.93 -2.81 116.94 118.44 1xo5 h PHE 55 Ca -0.50 0.03 0.19 0.00 3.82 0.00 0.00 57.97 61.51 1xo5 h PHE 55 Cb 1.33 -0.28 -0.10 0.00 2.00 0.00 0.00 35.95 38.91 1xo5 h PHE 55 CO 0.42 0.33 0.61 1.49 -0.18 0.00 0.00 178.31 180.98 1xo5 h GLU 56 N 0.75 0.67 -0.06 1.51 4.57 -1.92 0.47 114.58 120.57 1xo5 h GLU 56 Ca 0.46 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.40 1xo5 h GLU 56 Cb 0.67 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1xo5 h GLU 56 CO -0.22 0.44 -0.79 1.96 -1.18 0.00 0.00 179.01 179.22 1xo5 h GLN 57 N 0.69 0.43 -0.36 1.92 4.20 -1.86 -3.19 115.11 116.93 1xo5 h GLN 57 Ca 0.56 -0.38 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 1xo5 h GLN 57 Cb 0.96 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1xo5 h GLN 57 CO -0.33 1.03 -0.39 0.82 -0.67 0.00 0.00 178.83 179.29 1xo5 h ILE 58 N 0.28 1.28 0.00 2.54 2.04 -1.08 -3.16 117.51 119.40 1xo5 h ILE 58 Ca -0.05 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1xo5 h ILE 58 Cb 1.39 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1xo5 h ILE 58 CO 0.14 0.52 0.00 -0.07 0.00 0.00 0.00 178.15 178.74 1xo5 h LEU 59 N 0.72 0.00 0.00 1.44 3.38 -0.17 -1.94 115.31 118.73 1xo5 h LEU 59 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xo5 h LEU 59 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xo5 h LEU 59 CO 0.09 0.00 -0.26 -1.54 0.09 0.00 0.00 178.44 176.82 1xo5 n SER 60 N -2.91 0.62 -4.73 -0.43 3.41 -1.19 -3.13 113.62 105.25 1xo5 n SER 60 Ca -0.01 0.33 -0.35 0.00 -0.26 0.00 0.00 58.87 58.58 1xo5 n SER 60 Cb 0.18 -0.32 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1xo5 n SER 60 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xo5 s LEU 61 N -4.05 3.44 0.38 1.04 1.43 -0.73 -4.60 118.68 115.59 1xo5 s LEU 61 Ca 0.10 2.38 0.07 0.00 -1.03 0.00 0.00 54.13 55.65 1xo5 s LEU 61 Cb 0.14 -4.59 0.76 0.00 0.03 0.00 0.00 46.19 42.53 1xo5 s LEU 61 CO 0.64 -2.03 1.95 -0.65 0.23 0.00 0.00 176.35 176.50 1xo5 h PRO 62 N 0.13 0.43 0.00 1.29 0.11 -1.91 0.42 132.00 132.46 1xo5 h PRO 62 Ca -0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1xo5 h PRO 62 Cb 1.30 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xo5 h PRO 62 CO 0.52 0.42 -0.06 0.93 -0.21 0.00 0.00 178.00 179.60 1xo5 h GLU 63 N 0.42 0.00 0.00 1.05 3.07 -1.93 -3.32 114.58 113.88 1xo5 h GLU 63 Ca 0.10 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.87 1xo5 h GLU 63 Cb 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1xo5 h GLU 63 CO 0.00 0.06 -1.35 1.28 -1.40 0.00 0.00 179.01 177.60 1xo5 n LEU 64 N -3.90 0.07 -0.31 1.33 4.77 -0.59 -4.57 117.00 113.79 1xo5 n LEU 64 Ca -0.03 -0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 1xo5 n LEU 64 Cb 0.15 0.12 0.34 0.00 -2.33 0.00 0.00 43.42 41.70 1xo5 n LEU 64 CO 0.30 0.14 1.00 0.50 -1.33 0.00 0.00 177.39 177.99 1xo5 h LYS 65 N 0.00 0.25 -0.33 3.23 3.64 -0.15 0.74 116.57 123.94 1xo5 h LYS 65 Ca -0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1xo5 h LYS 65 Cb 1.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xo5 h LYS 65 CO 0.01 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 1xo5 n ALA 66 N -2.58 2.31 -2.24 5.00 0.00 -1.26 -4.98 120.51 116.76 1xo5 n ALA 66 Ca 0.24 -1.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1xo5 n ALA 66 Cb 0.76 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1xo5 n ALA 66 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xo5 s ASN 67 N -1.07 6.86 0.55 0.00 3.84 0.25 -4.91 114.94 120.45 1xo5 s ASN 67 Ca 0.27 2.10 0.23 0.00 0.21 0.00 0.00 52.86 55.66 1xo5 s ASN 67 Cb 0.15 -2.56 1.46 0.00 -0.55 0.00 0.00 41.25 39.75 1xo5 s ASN 67 CO 0.20 -0.71 2.12 -0.65 -2.79 0.00 0.00 177.10 175.27 1xo5 h PRO 68 N 7.81 0.00 -0.47 0.43 0.11 -1.89 -2.52 132.00 135.47 1xo5 h PRO 68 Ca -0.38 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.51 1xo5 h PRO 68 Cb 1.18 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 1xo5 h PRO 68 CO 0.90 0.00 0.07 1.19 -0.21 0.00 0.00 178.00 179.96 1xo5 n PHE 69 N -4.26 1.49 -0.14 0.65 3.01 -1.26 -4.83 117.46 112.12 1xo5 n PHE 69 Ca 0.01 -1.55 -0.05 0.00 1.01 0.00 0.00 57.45 56.87 1xo5 n PHE 69 Cb 0.25 -0.56 0.04 0.00 -0.01 0.00 0.00 39.48 39.20 1xo5 n PHE 69 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1xo5 h LYS 70 N 1.16 0.37 -0.84 -1.08 2.10 -1.72 0.17 116.57 116.73 1xo5 h LYS 70 Ca 0.28 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.92 1xo5 h LYS 70 Cb 1.89 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 33.09 1xo5 h LYS 70 CO 0.52 0.24 0.55 0.93 -2.00 0.00 0.00 179.45 179.69 1xo5 h GLU 71 N 0.38 1.06 -0.44 0.07 5.08 -1.88 -2.29 114.58 116.56 1xo5 h GLU 71 Ca 0.20 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1xo5 h GLU 71 Cb 0.16 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xo5 h GLU 71 CO -0.18 0.70 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.14 1xo5 h ARG 72 N 1.09 0.98 -0.56 2.33 9.65 -1.77 -2.98 114.38 123.12 1xo5 h ARG 72 Ca 0.32 -0.46 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1xo5 h ARG 72 Cb -0.06 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1xo5 h ARG 72 CO -0.09 1.13 0.33 0.82 2.80 0.00 0.00 179.97 184.96 1xo5 h ILE 73 N 0.82 1.17 -0.55 1.20 2.04 -0.70 -1.49 117.51 120.01 1xo5 h ILE 73 Ca 0.09 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1xo5 h ILE 73 Cb 0.89 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1xo5 h ILE 73 CO 0.08 0.18 0.13 0.00 0.00 0.00 0.00 178.15 178.54 1xo5 h ARG 75 N 0.27 0.82 -0.18 0.00 2.43 -1.29 -2.12 114.38 114.30 1xo5 h ARG 75 Ca 0.28 -0.29 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1xo5 h ARG 75 Cb 0.38 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1xo5 h ARG 75 CO -0.34 0.91 -0.47 0.28 -1.51 0.00 0.00 179.97 178.84 1xo5 h VAL 76 N 0.73 1.32 0.00 0.20 2.07 -0.91 -3.22 116.25 116.44 1xo5 h VAL 76 Ca 0.12 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1xo5 h VAL 76 Cb 0.65 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1xo5 h VAL 76 CO 0.05 0.52 -0.71 0.49 0.02 0.00 0.00 177.57 177.93 1xo5 n PHE 77 N -3.99 0.19 -2.12 1.57 3.72 -0.88 -4.91 117.46 111.04 1xo5 n PHE 77 Ca -0.02 0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1xo5 n PHE 77 Cb 0.55 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1xo5 n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xo5 s SER 78 N -3.52 6.77 0.00 4.37 0.15 -0.80 -4.71 113.70 115.96 1xo5 s SER 78 Ca 0.08 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.27 1xo5 s SER 78 Cb 0.16 -2.57 0.51 0.00 -1.71 0.00 0.00 66.02 62.41 1xo5 s SER 78 CO 0.74 -0.74 1.44 0.35 1.20 0.00 0.00 173.24 176.23 1xo5 n THR 79 N 4.41 0.03 -1.93 6.45 -2.24 -1.26 -4.87 114.28 114.86 1xo5 n THR 79 Ca 0.13 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1xo5 n THR 79 Cb 0.42 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1xo5 n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xo5 s SER 80 N -1.96 6.56 0.52 3.42 0.15 -1.26 -4.92 113.70 116.21 1xo5 s SER 80 Ca 0.32 2.72 0.20 0.00 0.70 0.00 0.00 55.95 59.89 1xo5 s SER 80 Cb 0.20 -2.62 1.34 0.00 -1.71 0.00 0.00 66.02 63.24 1xo5 s SER 80 CO 0.31 -0.79 2.13 1.55 1.20 0.00 0.00 173.24 177.64 1xo5 h PRO 81 N 5.52 0.00 0.00 5.44 0.13 -1.98 0.21 132.00 141.32 1xo5 h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xo5 h PRO 81 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xo5 h PRO 81 CO 0.82 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1xo5 n ALA 82 N -2.46 2.41 -3.93 -0.56 0.00 -1.26 -4.94 120.51 109.77 1xo5 n ALA 82 Ca -0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 1xo5 n ALA 82 Cb 0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 1xo5 n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xo5 n LYS 83 N -1.34 -3.33 0.00 0.00 5.02 0.06 -4.88 118.16 113.69 1xo5 n LYS 83 Ca 0.12 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1xo5 n LYS 83 Cb 0.26 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1xo5 n LYS 83 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xo5 n ASP 84 N -2.98 0.85 -3.63 4.39 5.75 -1.26 -4.81 116.55 114.87 1xo5 n ASP 84 Ca -0.31 -1.40 -0.08 0.00 -0.01 0.00 0.00 54.79 52.99 1xo5 n ASP 84 Cb 0.68 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1xo5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xo5 s SER 85 N -0.40 -0.36 -0.06 -1.12 1.04 -1.26 -3.53 113.70 108.00 1xo5 s SER 85 Ca 0.00 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1xo5 s SER 85 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1xo5 s SER 85 CO 0.00 -0.98 -0.20 -0.76 0.98 0.00 0.00 173.24 172.28 1xo5 s LEU 86 N -2.78 2.35 0.81 2.42 1.43 -0.49 -4.48 118.68 117.94 1xo5 s LEU 86 Ca 0.07 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1xo5 s LEU 86 Cb -0.02 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.82 1xo5 s LEU 86 CO -0.04 0.27 1.18 -0.94 0.23 0.00 0.00 176.35 177.05 1xo5 s SER 87 N -0.29 4.50 0.23 2.29 1.04 -1.26 -0.53 113.70 119.67 1xo5 s SER 87 Ca 0.01 0.78 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 1xo5 s SER 87 Cb -0.13 -1.28 0.31 0.00 0.10 0.00 0.00 66.02 65.03 1xo5 s SER 87 CO 0.03 -1.91 1.81 0.15 0.98 0.00 0.00 173.24 174.30 1xo5 h PHE 88 N -1.06 0.76 -0.37 5.02 3.57 -1.80 -1.62 116.94 121.44 1xo5 h PHE 88 Ca -0.46 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1xo5 h PHE 88 Cb 1.33 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1xo5 h PHE 88 CO 0.31 0.34 0.05 0.93 -2.23 0.00 0.00 178.31 177.71 1xo5 h GLU 89 N 0.73 0.55 -0.61 1.11 5.08 -1.94 -0.53 114.58 118.97 1xo5 h GLU 89 Ca 0.34 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1xo5 h GLU 89 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xo5 h GLU 89 CO -0.21 0.54 0.03 -0.44 -1.00 0.00 0.00 179.01 177.93 1xo5 h ASP 90 N 0.54 1.04 -0.42 1.42 3.32 -1.71 -1.31 116.42 119.29 1xo5 h ASP 90 Ca 0.12 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1xo5 h ASP 90 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1xo5 h ASP 90 CO 0.00 1.07 0.07 0.15 -1.72 0.00 0.00 179.24 178.82 1xo5 h PHE 91 N 0.96 0.74 -0.31 4.55 3.57 -0.72 -0.30 116.94 125.43 1xo5 h PHE 91 Ca 0.18 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xo5 h PHE 91 Cb 0.53 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1xo5 h PHE 91 CO 0.04 0.72 0.19 -0.07 -2.23 0.00 0.00 178.31 176.95 1xo5 h LEU 92 N 0.55 0.31 -0.46 0.59 4.07 -1.01 0.55 115.31 119.90 1xo5 h LEU 92 Ca 0.13 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.18 1xo5 h LEU 92 Cb 0.37 -0.06 -0.09 0.00 1.08 0.00 0.00 40.66 41.96 1xo5 h LEU 92 CO 0.01 0.22 -0.12 0.44 -1.08 0.00 0.00 178.44 177.91 1xo5 h ASP 93 N 0.38 -0.43 0.02 -0.43 3.32 -1.06 0.23 116.42 118.45 1xo5 h ASP 93 Ca 0.12 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.34 1xo5 h ASP 93 Cb -0.01 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1xo5 h ASP 93 CO -0.05 -0.15 -0.25 0.25 -1.72 0.00 0.00 179.24 177.32 1xo5 h LEU 94 N -0.00 -0.72 -1.31 1.55 6.46 -0.66 -1.95 115.31 118.67 1xo5 h LEU 94 Ca 0.22 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1xo5 h LEU 94 Cb 0.34 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1xo5 h LEU 94 CO -0.47 -0.32 0.03 -0.07 -0.62 0.00 0.00 178.44 176.98 1xo5 h LEU 95 N -0.39 0.45 -0.16 2.25 3.38 -0.49 -1.50 115.31 118.86 1xo5 h LEU 95 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xo5 h LEU 95 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xo5 h LEU 95 CO -0.21 0.50 0.09 0.28 0.09 0.00 0.00 178.44 179.20 1xo5 h SER 96 N 0.47 0.19 -0.01 -0.43 0.02 -0.23 -1.52 113.55 112.05 1xo5 h SER 96 Ca 0.11 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1xo5 h SER 96 Cb 0.27 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1xo5 h SER 96 CO 0.00 0.19 -0.20 0.58 -1.14 0.00 0.00 176.83 176.26 1xo5 h VAL 97 N 0.18 1.24 0.00 2.27 2.07 -1.09 -2.64 116.25 118.28 1xo5 h VAL 97 Ca 0.06 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1xo5 h VAL 97 Cb 0.03 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xo5 h VAL 97 CO -0.01 0.34 -0.06 -0.26 0.02 0.00 0.00 177.57 177.60 1xo5 h PHE 98 N 0.34 0.00 -4.13 1.57 -1.00 -1.04 -3.44 116.94 109.23 1xo5 h PHE 98 Ca 0.06 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.30 1xo5 h PHE 98 Cb 0.55 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.25 1xo5 h PHE 98 CO 0.01 0.06 0.46 -1.54 -1.61 0.00 0.00 178.31 175.69 1xo5 s SER 99 N -5.96 4.73 0.58 2.17 1.04 -0.59 -4.89 113.70 110.78 1xo5 s SER 99 Ca 0.03 2.43 0.35 0.00 0.48 0.00 0.00 55.95 59.24 1xo5 s SER 99 Cb 0.08 -2.60 1.77 0.00 0.10 0.00 0.00 66.02 65.37 1xo5 s SER 99 CO 0.60 -1.91 2.15 0.44 0.98 0.00 0.00 173.24 175.51 1xo5 h ASP 100 N 0.40 0.00 1.93 7.02 3.32 -1.89 -2.59 116.42 124.61 1xo5 h ASP 100 Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1xo5 h ASP 100 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1xo5 h ASP 100 CO 0.53 0.04 -0.01 0.74 -1.72 0.00 0.00 179.24 178.82 1xo5 h THR 101 N 0.00 0.01 -3.03 0.35 2.02 -1.90 -3.46 112.91 106.91 1xo5 h THR 101 Ca -0.00 -0.99 -0.53 0.00 0.77 0.00 0.00 66.41 65.67 1xo5 h THR 101 Cb 0.27 1.98 0.07 0.00 -1.74 0.00 0.00 68.15 68.72 1xo5 h THR 101 CO 0.01 0.01 0.94 0.00 0.37 0.00 0.00 175.52 176.85 1xo5 s ALA 102 N -3.23 3.83 0.56 6.16 0.00 -0.98 -4.95 121.76 123.16 1xo5 s ALA 102 Ca 0.07 1.58 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 1xo5 s ALA 102 Cb 0.05 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1xo5 s ALA 102 CO 0.66 -0.96 1.14 0.95 0.00 0.00 0.00 175.76 177.55 1xo5 s THR 103 N 0.54 3.12 0.48 0.00 -4.23 -1.26 -4.81 115.64 109.48 1xo5 s THR 103 Ca 0.68 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 62.08 1xo5 s THR 103 Cb -0.49 -3.25 0.39 0.00 1.34 0.00 0.00 72.50 70.49 1xo5 s THR 103 CO 0.41 -0.17 1.93 -0.65 -0.54 0.00 0.00 174.62 175.60 1xo5 h PRO 104 N 1.03 0.21 -0.29 3.99 0.11 -1.97 -1.24 132.00 133.83 1xo5 h PRO 104 Ca -0.50 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 1xo5 h PRO 104 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xo5 h PRO 104 CO 0.56 0.14 -0.49 -0.44 -0.21 0.00 0.00 178.00 177.56 1xo5 h ASP 105 N 0.21 0.88 -0.21 -2.05 3.45 -1.99 -0.74 116.42 115.97 1xo5 h ASP 105 Ca 0.35 -0.44 -0.06 0.00 0.43 0.00 0.00 57.03 57.31 1xo5 h ASP 105 Cb 1.09 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1xo5 h ASP 105 CO -0.07 1.21 -0.11 0.40 -1.57 0.00 0.00 179.24 179.10 1xo5 h ILE 106 N 0.63 1.31 -0.46 0.35 5.03 -1.67 -2.27 117.51 120.43 1xo5 h ILE 106 Ca 0.03 -1.18 0.00 0.00 -0.12 0.00 0.00 64.86 63.59 1xo5 h ILE 106 Cb 1.07 1.63 -0.02 0.00 -3.03 0.00 0.00 36.82 36.46 1xo5 h ILE 106 CO 0.11 0.36 0.30 0.11 -0.68 0.00 0.00 178.15 178.35 1xo5 h LYS 107 N 0.15 0.60 -0.82 2.37 1.57 -1.25 -2.46 116.57 116.74 1xo5 h LYS 107 Ca 0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1xo5 h LYS 107 Cb 0.61 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1xo5 h LYS 107 CO 0.03 0.40 0.39 0.66 -0.57 0.00 0.00 179.45 180.36 1xo5 h SER 108 N 0.62 1.08 0.13 0.86 4.64 -1.13 0.18 113.55 119.92 1xo5 h SER 108 Ca 0.17 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1xo5 h SER 108 Cb -0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.72 1xo5 h SER 108 CO -0.04 0.91 -0.19 -0.74 -0.87 0.00 0.00 176.83 175.91 1xo5 h HIS 109 N 1.17 -0.49 -0.09 4.77 -0.00 -1.20 -1.13 115.15 118.19 1xo5 h HIS 109 Ca 0.28 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.45 1xo5 h HIS 109 Cb 0.13 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1xo5 h HIS 109 CO 0.02 -0.28 -0.80 1.88 -0.00 0.00 0.00 177.93 178.75 1xo5 h TYR 110 N -0.37 0.79 -0.67 5.26 -1.99 -1.27 -2.49 116.97 116.22 1xo5 h TYR 110 Ca 0.02 -0.37 0.07 0.00 2.00 0.00 0.00 58.73 60.46 1xo5 h TYR 110 Cb 0.38 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.93 1xo5 h TYR 110 CO -0.17 1.16 0.35 0.00 -0.00 0.00 0.00 178.16 179.50 1xo5 h ALA 111 N 0.73 0.91 -0.09 3.88 0.00 -0.58 -0.81 119.26 123.30 1xo5 h ALA 111 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xo5 h ALA 111 Cb 1.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1xo5 h ALA 111 CO 0.15 -0.01 0.03 0.35 0.00 0.00 0.00 179.25 179.77 1xo5 h PHE 112 N 0.62 0.05 -0.23 0.00 3.57 -1.05 -0.07 116.94 119.84 1xo5 h PHE 112 Ca 0.32 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.87 1xo5 h PHE 112 Cb 0.27 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1xo5 h PHE 112 CO -0.10 0.03 -0.06 0.00 -2.23 0.00 0.00 178.31 175.95 1xo5 h ARG 113 N 0.08 -0.00 -0.30 1.11 2.47 -1.08 -0.36 114.38 116.30 1xo5 h ARG 113 Ca 0.04 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1xo5 h ARG 113 Cb 0.02 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 1xo5 h ARG 113 CO -0.04 -0.00 -0.11 0.82 0.56 0.00 0.00 179.97 181.20 1xo5 h ILE 114 N -0.00 0.63 0.00 2.04 1.08 -0.84 -1.87 117.51 118.55 1xo5 h ILE 114 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1xo5 h ILE 114 Cb 0.17 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1xo5 h ILE 114 CO -0.23 0.00 0.00 -0.26 -0.69 0.00 0.00 178.15 176.97 1xo5 h PHE 115 N -0.05 0.00 -1.98 1.37 0.05 -0.35 -3.38 116.94 112.61 1xo5 h PHE 115 Ca 0.15 0.00 -0.68 0.00 3.82 0.00 0.00 57.97 61.26 1xo5 h PHE 115 Cb 0.27 0.00 -0.15 0.00 2.00 0.00 0.00 35.95 38.07 1xo5 h PHE 115 CO -0.31 0.00 1.17 0.34 -0.18 0.00 0.00 178.31 179.33 1xo5 s ASP 116 N -5.18 6.70 0.22 2.17 2.15 -0.20 -4.73 116.67 117.79 1xo5 s ASP 116 Ca 0.03 -2.13 -0.07 0.00 0.43 0.00 0.00 52.55 50.81 1xo5 s ASP 116 Cb 0.09 -2.45 0.17 0.00 -0.30 0.00 0.00 42.92 40.43 1xo5 s ASP 116 CO 0.50 -1.10 1.73 -0.26 -0.17 0.00 0.00 175.17 175.87 1xo5 h PHE 117 N 8.63 1.12 -0.11 -5.34 0.05 -1.80 -1.90 116.94 117.59 1xo5 h PHE 117 Ca 0.22 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.87 1xo5 h PHE 117 Cb 0.98 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.62 1xo5 h PHE 117 CO 1.20 0.93 0.00 -0.40 -0.18 0.00 0.00 178.31 179.85 1xo5 n ASP 118 N -4.23 1.13 -3.77 2.17 5.68 -1.26 -4.93 116.55 111.33 1xo5 n ASP 118 Ca 0.05 -1.62 -0.29 0.00 -0.50 0.00 0.00 54.79 52.42 1xo5 n ASP 118 Cb 0.27 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.18 1xo5 n ASP 118 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1xo5 n ASP 119 N -0.03 -4.34 -0.20 -1.12 8.00 -0.72 -4.84 116.55 113.29 1xo5 n ASP 119 Ca 0.15 -0.69 0.12 0.00 0.71 0.00 0.00 54.79 55.08 1xo5 n ASP 119 Cb 0.24 -3.51 0.17 0.00 -0.02 0.00 0.00 41.12 38.00 1xo5 n ASP 119 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xo5 n ASP 120 N -2.63 1.13 0.00 -2.24 3.85 -1.26 -4.97 116.55 110.44 1xo5 n ASP 120 Ca 0.03 -0.91 0.00 0.00 -0.71 0.00 0.00 54.79 53.20 1xo5 n ASP 120 Cb 0.53 0.40 0.00 0.00 -1.35 0.00 0.00 41.12 40.70 1xo5 n ASP 120 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xo5 n GLY 121 N 1.43 0.73 3.07 6.12 0.00 -1.26 -5.08 105.19 110.21 1xo5 n GLY 121 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1xo5 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xo5 s THR 122 N -2.18 0.24 -0.44 2.61 -4.23 -1.26 -4.55 115.64 105.83 1xo5 s THR 122 Ca 0.00 -1.63 -0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1xo5 s THR 122 Cb 0.00 -1.27 0.05 0.00 1.34 0.00 0.00 72.50 72.62 1xo5 s THR 122 CO 0.00 -0.88 0.34 -0.76 -0.54 0.00 0.00 174.62 172.77 1xo5 s LEU 123 N -2.62 5.34 0.00 4.79 1.43 0.14 -4.75 118.68 123.01 1xo5 s LEU 123 Ca 0.03 -1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 51.88 1xo5 s LEU 123 Cb 0.04 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 44.24 1xo5 s LEU 123 CO -0.08 -0.55 0.77 -0.46 0.23 0.00 0.00 176.35 176.26 1xo5 n ASN 124 N 5.14 0.41 -0.29 2.29 0.23 -1.26 -0.81 115.26 120.97 1xo5 n ASN 124 Ca -0.12 -1.49 0.06 0.00 -0.53 0.00 0.00 54.58 52.50 1xo5 n ASN 124 Cb 0.45 -0.56 0.27 0.00 -2.08 0.00 0.00 39.78 37.86 1xo5 n ASN 124 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1xo5 h ARG 125 N 0.00 0.93 -0.32 -3.83 3.08 -1.99 -1.01 114.38 111.24 1xo5 h ARG 125 Ca -0.25 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1xo5 h ARG 125 Cb 0.78 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1xo5 h ARG 125 CO 0.21 0.62 0.04 0.93 -1.07 0.00 0.00 179.97 180.70 1xo5 h GLU 126 N 0.96 0.53 -0.37 0.04 5.08 -1.99 -1.61 114.58 117.22 1xo5 h GLU 126 Ca 0.40 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1xo5 h GLU 126 Cb 0.30 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1xo5 h GLU 126 CO -0.16 0.63 0.11 -0.44 -1.00 0.00 0.00 179.01 178.15 1xo5 h ASP 127 N 0.35 0.11 -0.13 1.42 3.32 -1.57 -2.60 116.42 117.31 1xo5 h ASP 127 Ca 0.09 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1xo5 h ASP 127 Cb 0.37 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1xo5 h ASP 127 CO 0.01 0.10 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.31 1xo5 h LEU 128 N 0.26 0.58 -0.61 1.55 3.38 -1.20 -2.96 115.31 116.31 1xo5 h LEU 128 Ca 0.17 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1xo5 h LEU 128 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1xo5 h LEU 128 CO -0.19 0.81 0.35 -1.28 0.09 0.00 0.00 178.44 178.23 1xo5 h SER 129 N 0.51 0.55 -0.59 -0.43 0.87 -0.92 -1.00 113.55 112.54 1xo5 h SER 129 Ca 0.07 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1xo5 h SER 129 Cb 0.69 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1xo5 h SER 129 CO 0.05 0.38 0.12 0.03 -0.53 0.00 0.00 176.83 176.88 1xo5 h ARG 130 N 0.68 0.96 -0.35 2.24 3.08 -1.39 -0.90 114.38 118.70 1xo5 h ARG 130 Ca 0.26 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xo5 h ARG 130 Cb 0.09 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1xo5 h ARG 130 CO -0.13 0.90 0.08 1.25 -1.07 0.00 0.00 179.97 181.00 1xo5 h LEU 131 N 0.87 0.05 -0.19 3.04 6.46 -1.30 -0.84 115.31 123.40 1xo5 h LEU 131 Ca 0.18 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1xo5 h LEU 131 Cb 0.39 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1xo5 h LEU 131 CO 0.01 0.06 0.05 0.58 -0.62 0.00 0.00 178.44 178.52 1xo5 h VAL 132 N 0.21 1.20 -0.94 1.05 2.07 -0.98 -2.73 116.25 116.12 1xo5 h VAL 132 Ca 0.16 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.20 1xo5 h VAL 132 Cb 0.17 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 1xo5 h VAL 132 CO -0.20 0.20 0.55 0.78 0.02 0.00 0.00 177.57 178.92 1xo5 h ASN 133 N 0.12 0.73 -0.10 0.57 2.35 -0.98 -0.67 115.58 117.60 1xo5 h ASN 133 Ca 0.06 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1xo5 h ASN 133 Cb 0.26 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xo5 h ASN 133 CO 0.00 0.31 0.04 0.00 -1.65 0.00 0.00 177.43 176.14 1xo5 h LEU 135 N 0.20 0.77 0.00 0.00 3.38 -0.97 -3.50 115.31 115.18 1xo5 h LEU 135 Ca 0.05 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1xo5 h LEU 135 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1xo5 h LEU 135 CO -0.00 1.55 0.00 0.41 0.09 0.00 0.00 178.44 180.49 1xo5 n THR 136 N -3.73 0.00 0.00 0.22 -1.04 -0.66 -5.13 114.28 103.94 1xo5 n THR 136 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1xo5 n THR 136 Cb 1.00 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1xo5 n THR 136 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1xo5 n ARG 143 N -1.24 0.00 -0.87 -2.82 3.00 -1.26 -4.91 116.66 108.56 1xo5 n ARG 143 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 1xo5 n ARG 143 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 32.46 32.69 1xo5 n ARG 143 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1xo5 s LEU 144 N 0.00 0.69 0.34 6.15 2.34 -1.26 -5.04 118.68 121.90 1xo5 s LEU 144 Ca 0.00 1.04 -0.13 0.00 0.06 0.00 0.00 54.13 55.09 1xo5 s LEU 144 Cb 0.00 -2.90 -0.08 0.00 -0.56 0.00 0.00 46.19 42.65 1xo5 s LEU 144 CO 0.00 -4.05 0.73 -0.44 -1.06 0.00 0.00 176.35 171.53 1xo5 s SER 145 N -3.31 6.69 0.00 1.48 0.01 -1.26 -5.10 113.70 112.21 1xo5 s SER 145 Ca 0.68 1.21 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1xo5 s SER 145 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1xo5 s SER 145 CO 0.59 -0.25 0.00 0.00 0.41 0.00 0.00 173.24 173.99 1xo5 n ALA 146 N -0.60 0.00 0.05 1.44 0.00 -1.26 -4.76 120.51 115.38 1xo5 n ALA 146 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 1xo5 n ALA 146 Cb 0.53 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.15 1xo5 n ALA 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xo5 n SER 147 N 0.00 3.31 -0.10 0.00 2.88 -1.26 -2.87 113.62 115.59 1xo5 n SER 147 Ca 0.00 -2.53 0.13 0.00 -1.33 0.00 0.00 58.87 55.15 1xo5 n SER 147 Cb 0.00 -0.61 0.47 0.00 -0.75 0.00 0.00 64.21 63.32 1xo5 n SER 147 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1xo5 n GLU 148 N 0.17 0.44 -0.17 -1.46 0.28 -1.26 -3.77 120.64 114.87 1xo5 n GLU 148 Ca 0.17 -0.19 0.02 0.00 -0.16 0.00 0.00 57.16 57.00 1xo5 n GLU 148 Cb 0.79 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.46 1xo5 n GLU 148 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1xo5 h MET 149 N 0.47 0.86 -0.09 3.44 4.05 -1.82 -2.46 114.93 119.39 1xo5 h MET 149 Ca 0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1xo5 h MET 149 Cb 0.45 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1xo5 h MET 149 CO 0.00 0.57 0.02 -0.22 0.23 0.00 0.00 176.91 177.51 1xo5 h LYS 150 N 0.89 0.15 -0.62 0.39 3.64 -1.83 -1.24 116.57 117.95 1xo5 h LYS 150 Ca 0.26 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1xo5 h LYS 150 Cb -0.04 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.64 1xo5 h LYS 150 CO -0.06 0.36 -0.12 1.96 -2.27 0.00 0.00 179.45 179.31 1xo5 h GLN 151 N -0.09 0.02 -0.07 1.90 1.08 -1.71 0.44 115.11 116.69 1xo5 h GLN 151 Ca 0.03 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1xo5 h GLN 151 Cb 0.28 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1xo5 h GLN 151 CO 0.00 0.01 0.02 1.25 -0.95 0.00 0.00 178.83 179.16 1xo5 h LEU 152 N 0.02 0.10 -0.87 1.46 5.85 -1.25 -2.75 115.31 117.87 1xo5 h LEU 152 Ca 0.30 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1xo5 h LEU 152 Cb 0.47 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1xo5 h LEU 152 CO -0.62 0.29 0.08 0.40 -0.34 0.00 0.00 178.44 178.26 1xo5 h ILE 153 N -0.09 1.25 -0.87 4.05 1.08 -0.83 -2.34 117.51 119.76 1xo5 h ILE 153 Ca 0.02 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 1xo5 h ILE 153 Cb 0.23 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 1xo5 h ILE 153 CO -0.00 0.35 0.54 0.44 -0.69 0.00 0.00 178.15 178.80 1xo5 h ASP 154 N 0.87 0.87 0.29 1.72 3.32 -0.83 -2.00 116.42 120.67 1xo5 h ASP 154 Ca 0.18 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1xo5 h ASP 154 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1xo5 h ASP 154 CO 0.01 0.57 -0.53 0.78 -1.72 0.00 0.00 179.24 178.35 1xo5 h ASN 155 N 1.01 0.28 -0.01 6.45 2.35 -1.14 -0.14 115.58 124.39 1xo5 h ASN 155 Ca 0.37 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1xo5 h ASN 155 Cb 0.12 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1xo5 h ASN 155 CO -0.16 0.76 0.00 0.40 -1.65 0.00 0.00 177.43 176.78 1xo5 h ILE 156 N 0.20 1.21 -0.44 2.81 2.04 -1.04 -2.34 117.51 119.95 1xo5 h ILE 156 Ca 0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1xo5 h ILE 156 Cb 0.99 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1xo5 h ILE 156 CO 0.08 0.16 0.29 -0.07 0.00 0.00 0.00 178.15 178.62 1xo5 h LEU 157 N -0.24 0.51 -0.83 1.44 3.38 -1.31 0.11 115.31 118.37 1xo5 h LEU 157 Ca 0.00 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.13 1xo5 h LEU 157 Cb 0.26 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 1xo5 h LEU 157 CO 0.00 0.37 0.37 -0.33 0.09 0.00 0.00 178.44 178.94 1xo5 h GLU 158 N 0.60 0.46 0.07 1.13 5.08 -1.00 0.39 114.58 121.31 1xo5 h GLU 158 Ca 0.16 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1xo5 h GLU 158 Cb -0.07 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xo5 h GLU 158 CO -0.03 0.30 -0.85 0.93 -1.00 0.00 0.00 179.01 178.35 1xo5 h GLU 159 N 0.47 0.46 0.00 2.33 5.08 -0.95 -3.42 114.58 118.56 1xo5 h GLU 159 Ca 0.48 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xo5 h GLU 159 Cb 0.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1xo5 h GLU 159 CO -0.44 1.23 0.00 0.43 -1.00 0.00 0.00 179.01 179.22 1xo5 n SER 160 N -4.06 0.79 -4.46 1.42 7.64 0.36 -4.81 113.62 110.49 1xo5 n SER 160 Ca -0.12 -0.92 -0.44 0.00 1.01 0.00 0.00 58.87 58.39 1xo5 n SER 160 Cb 0.81 0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1xo5 n SER 160 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xo5 s ASP 161 N -0.13 7.00 0.02 6.43 2.15 0.13 -4.75 116.67 127.51 1xo5 s ASP 161 Ca 0.00 -2.83 -0.24 0.00 0.43 0.00 0.00 52.55 49.90 1xo5 s ASP 161 Cb 0.00 -2.40 -0.18 0.00 -0.30 0.00 0.00 42.92 40.04 1xo5 s ASP 161 CO 0.00 -0.80 1.40 0.40 -0.17 0.00 0.00 175.17 176.00 1xo5 h ILE 162 N 4.86 1.29 0.00 4.11 1.08 -1.87 -2.46 117.51 124.52 1xo5 h ILE 162 Ca 0.29 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1xo5 h ILE 162 Cb 0.90 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 1xo5 h ILE 162 CO 1.22 0.23 0.00 -0.90 -0.69 0.00 0.00 178.15 178.01 1xo5 n ASP 163 N -4.88 0.00 -3.85 1.72 5.68 -1.26 -4.90 116.55 109.05 1xo5 n ASP 163 Ca -0.08 -0.56 -0.28 0.00 -0.50 0.00 0.00 54.79 53.38 1xo5 n ASP 163 Cb 0.20 -0.08 0.03 0.00 -1.14 0.00 0.00 41.12 40.13 1xo5 n ASP 163 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xo5 n ARG 164 N -1.08 -5.53 0.00 0.11 5.12 -0.93 -4.87 116.66 109.48 1xo5 n ARG 164 Ca 0.16 0.61 0.12 0.00 -1.93 0.00 0.00 57.85 56.82 1xo5 n ARG 164 Cb 0.11 -5.44 0.22 0.00 -1.16 0.00 0.00 32.46 26.19 1xo5 n ARG 164 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1xo5 n ASP 165 N -2.89 1.26 0.00 0.55 5.75 -1.26 -4.95 116.55 115.00 1xo5 n ASP 165 Ca -0.04 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1xo5 n ASP 165 Cb 0.56 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1xo5 n ASP 165 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xo5 n GLY 166 N 1.39 0.72 3.33 6.12 0.00 -1.26 -5.05 105.19 110.44 1xo5 n GLY 166 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1xo5 n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xo5 s THR 167 N -2.57 0.70 -0.26 2.61 -4.23 -1.26 -4.57 115.64 106.06 1xo5 s THR 167 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1xo5 s THR 167 Cb 0.00 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.29 1xo5 s THR 167 CO 0.00 -0.07 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.32 1xo5 s ILE 168 N -3.65 2.71 0.53 2.99 1.01 0.01 -4.80 121.20 119.99 1xo5 s ILE 168 Ca 0.36 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1xo5 s ILE 168 Cb 0.08 -2.46 0.12 0.00 0.01 0.00 0.00 42.46 40.20 1xo5 s ILE 168 CO 0.13 0.08 0.72 -0.46 0.00 0.00 0.00 174.94 175.41 1xo5 n ASN 169 N 4.60 0.28 -0.11 3.58 0.23 -1.26 0.25 115.26 122.82 1xo5 n ASN 169 Ca -0.15 -1.40 -0.11 0.00 -0.53 0.00 0.00 54.58 52.39 1xo5 n ASN 169 Cb 0.45 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 37.59 1xo5 n ASN 169 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1xo5 h LEU 170 N 0.00 0.57 0.01 -4.53 5.85 -1.99 0.22 115.31 115.44 1xo5 h LEU 170 Ca -0.23 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1xo5 h LEU 170 Cb 0.70 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xo5 h LEU 170 CO 0.19 0.74 -0.02 0.28 -0.34 0.00 0.00 178.44 179.29 1xo5 h SER 171 N 0.38 -0.04 -0.40 1.25 0.02 -1.99 -1.24 113.55 111.53 1xo5 h SER 171 Ca 0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1xo5 h SER 171 Cb 0.45 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1xo5 h SER 171 CO 0.02 -0.03 0.27 -0.33 -1.14 0.00 0.00 176.83 175.62 1xo5 h GLU 172 N -0.03 0.54 -0.59 3.45 5.08 -1.82 -1.98 114.58 119.22 1xo5 h GLU 172 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xo5 h GLU 172 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1xo5 h GLU 172 CO -0.01 0.36 0.25 0.35 -1.00 0.00 0.00 179.01 178.96 1xo5 h PHE 173 N 0.55 0.88 -0.17 4.33 3.57 0.14 -1.53 116.94 124.73 1xo5 h PHE 173 Ca 0.15 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1xo5 h PHE 173 Cb -0.06 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1xo5 h PHE 173 CO 0.00 0.70 -0.04 1.96 -2.23 0.00 0.00 178.31 178.70 1xo5 h GLN 174 N 0.81 0.25 -0.02 1.11 4.20 -0.53 -0.69 115.11 120.24 1xo5 h GLN 174 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1xo5 h GLN 174 Cb 0.18 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1xo5 h GLN 174 CO -0.02 0.31 0.01 1.25 -0.67 0.00 0.00 178.83 179.71 1xo5 h HIS 175 N 0.24 0.03 -0.57 2.96 2.76 -0.90 -1.78 115.15 117.89 1xo5 h HIS 175 Ca 0.06 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1xo5 h HIS 175 Cb 0.24 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 1xo5 h HIS 175 CO 0.00 0.20 0.27 0.28 -1.30 0.00 0.00 177.93 177.39 1xo5 h VAL 176 N -0.15 0.90 -0.71 5.26 2.07 -0.72 -1.16 116.25 121.74 1xo5 h VAL 176 Ca 0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1xo5 h VAL 176 Cb 0.18 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1xo5 h VAL 176 CO -0.00 0.09 0.32 0.40 0.02 0.00 0.00 177.57 178.40 1xo5 h ILE 177 N 0.51 1.23 0.00 4.57 5.03 -1.08 -0.93 117.51 126.84 1xo5 h ILE 177 Ca 0.26 -0.68 -0.04 0.00 -0.12 0.00 0.00 64.86 64.28 1xo5 h ILE 177 Cb 0.22 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1xo5 h ILE 177 CO -0.21 0.28 -0.18 0.77 -0.68 0.00 0.00 178.15 178.13 1xo5 h SER 178 N 1.02 0.00 0.87 1.72 4.64 -0.39 -3.13 113.55 118.28 1xo5 h SER 178 Ca 0.24 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 1xo5 h SER 178 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1xo5 h SER 178 CO -0.03 0.18 -1.22 0.03 -0.87 0.00 0.00 176.83 174.93 1xo5 h ARG 179 N 0.00 0.00 -3.92 4.77 2.47 -0.05 -3.46 114.38 114.19 1xo5 h ARG 179 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1xo5 h ARG 179 Cb 0.50 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.43 1xo5 h ARG 179 CO 0.02 0.29 -0.76 0.45 0.56 0.00 0.00 179.97 180.53 1xo5 s SER 180 N -5.85 3.85 0.28 7.04 0.15 -0.59 -4.97 113.70 113.60 1xo5 s SER 180 Ca -0.01 -1.40 0.03 0.00 0.70 0.00 0.00 55.95 55.26 1xo5 s SER 180 Cb 0.09 -0.99 0.69 0.00 -1.71 0.00 0.00 66.02 64.09 1xo5 s SER 180 CO 0.80 -0.34 1.70 -0.65 1.20 0.00 0.00 173.24 175.95 1xo5 h PRO 181 N 8.02 0.40 0.11 5.44 0.11 -1.89 -1.16 132.00 143.04 1xo5 h PRO 181 Ca -0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1xo5 h PRO 181 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1xo5 h PRO 181 CO 0.43 0.27 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.00 1xo5 h ASP 182 N 0.42 -0.13 -0.75 -2.05 3.32 -1.94 -0.22 116.42 115.07 1xo5 h ASP 182 Ca 0.54 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1xo5 h ASP 182 Cb 0.99 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1xo5 h ASP 182 CO -0.51 0.01 0.40 -0.26 -1.72 0.00 0.00 179.24 177.15 1xo5 h PHE 183 N -0.26 1.06 -0.47 4.55 0.05 -1.87 -2.19 116.94 117.81 1xo5 h PHE 183 Ca -0.02 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.74 1xo5 h PHE 183 Cb 0.21 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 37.80 1xo5 h PHE 183 CO -0.04 0.75 0.30 0.00 -0.18 0.00 0.00 178.31 179.14 1xo5 h ALA 184 N 1.36 1.63 0.00 2.45 0.00 -0.86 -1.48 119.26 122.36 1xo5 h ALA 184 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1xo5 h ALA 184 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xo5 h ALA 184 CO -0.04 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.20 1xo5 h SER 185 N 0.65 0.00 0.30 0.00 4.64 -0.38 -2.50 113.55 116.26 1xo5 h SER 185 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1xo5 h SER 185 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1xo5 h SER 185 CO -0.03 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 176.64 1xo5 h SER 186 N 0.00 0.00 -0.29 4.97 4.64 -1.23 -2.60 113.55 119.05 1xo5 h SER 186 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1xo5 h SER 186 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1xo5 h SER 186 CO 0.00 0.05 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.58 1xo5 h PHE 187 N 0.00 0.82 -0.09 4.77 -1.00 -1.61 0.16 116.94 119.98 1xo5 h PHE 187 Ca -0.00 -0.16 -0.17 0.00 2.81 0.00 0.00 57.97 60.44 1xo5 h PHE 187 Cb 0.21 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1xo5 h PHE 187 CO 0.00 0.85 -0.68 0.87 -1.61 0.00 0.00 178.31 177.74 1xo5 h LYS 188 N 0.66 0.39 -0.22 1.51 1.57 -1.66 -0.61 116.57 118.21 1xo5 h LYS 188 Ca 0.10 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1xo5 h LYS 188 Cb 0.65 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xo5 h LYS 188 CO 0.05 0.93 -0.24 0.82 -0.57 0.00 0.00 179.45 180.44 1xo5 h ILE 189 N 0.28 1.32 0.02 1.86 2.04 -1.19 -3.37 117.51 118.46 1xo5 h ILE 189 Ca -0.02 -1.41 -0.35 0.00 1.00 0.00 0.00 64.86 64.08 1xo5 h ILE 189 Cb 1.24 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 1xo5 h ILE 189 CO 0.12 0.43 -2.17 0.52 0.00 0.00 0.00 178.15 177.05 1xo5 n VAL 190 N -4.38 1.53 -0.11 1.67 0.31 0.52 -4.87 118.33 113.01 1xo5 n VAL 190 Ca -0.05 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 1xo5 n VAL 190 Cb 0.43 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1xo5 n VAL 190 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69