#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oii s GLU 14 N 0.00 3.31 0.76 1.96 -1.05 -1.26 -4.87 118.70 117.54 1oii s GLU 14 Ca 0.00 -0.74 -0.11 0.00 -0.15 0.00 0.00 54.97 53.98 1oii s GLU 14 Cb 0.00 -3.56 0.05 0.00 -0.44 0.00 0.00 34.13 30.18 1oii s GLU 14 CO 0.00 -0.42 1.08 -0.51 0.95 0.00 0.00 175.26 176.36 1oii s LEU 15 N 1.61 2.99 -0.94 1.83 1.43 -1.26 -4.97 118.68 119.37 1oii s LEU 15 Ca 0.04 1.70 -0.23 0.00 -1.03 0.00 0.00 54.13 54.62 1oii s LEU 15 Cb -0.17 -4.44 0.07 0.00 0.03 0.00 0.00 46.19 41.67 1oii s LEU 15 CO 0.06 -1.87 1.32 -0.62 0.23 0.00 0.00 176.35 175.48 1oii s ASP 16 N -3.56 6.46 -0.19 2.29 2.15 -1.26 -4.99 116.67 117.58 1oii s ASP 16 Ca 0.60 -1.42 -0.05 0.00 0.43 0.00 0.00 52.55 52.12 1oii s ASP 16 Cb -0.16 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1oii s ASP 16 CO 0.56 -1.45 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.41 1oii s VAL 17 N 4.52 3.96 -0.33 1.11 1.01 -1.26 -1.26 120.40 128.15 1oii s VAL 17 Ca 0.40 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1oii s VAL 17 Cb -0.03 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1oii s VAL 17 CO -0.05 0.45 0.05 -1.00 0.00 0.00 0.00 175.10 174.55 1oii s HIS 18 N 0.78 3.19 0.37 5.22 3.76 0.12 -4.96 115.29 123.76 1oii s HIS 18 Ca -0.00 -2.63 -0.26 0.00 -0.15 0.00 0.00 55.06 52.03 1oii s HIS 18 Cb -0.14 -2.55 -0.12 0.00 1.11 0.00 0.00 32.58 30.88 1oii s HIS 18 CO 0.02 -0.92 1.00 -2.30 -0.85 0.00 0.00 174.74 171.68 1oii n PRO 19 N 4.42 1.35 -0.07 8.40 -0.02 -1.26 -0.38 135.00 147.44 1oii n PRO 19 Ca 0.01 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 1oii n PRO 19 Cb 0.42 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1oii n PRO 19 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1oii n VAL 20 N -0.24 1.28 -3.62 -1.45 0.31 -0.06 -4.79 118.33 109.76 1oii n VAL 20 Ca 0.09 0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 64.41 1oii n VAL 20 Cb 0.37 -2.24 -0.02 0.00 -0.91 0.00 0.00 33.84 31.04 1oii n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oii s ALA 21 N -2.88 4.23 0.23 3.52 0.00 -1.09 -5.04 121.76 120.73 1oii s ALA 21 Ca -0.22 -1.74 0.16 0.00 0.00 0.00 0.00 51.96 50.16 1oii s ALA 21 Cb 0.03 -0.96 0.65 0.00 0.00 0.00 0.00 23.12 22.84 1oii s ALA 21 CO 0.32 -0.35 1.73 0.78 0.00 0.00 0.00 175.76 178.24 1oii h GLY 22 N 0.87 0.00 0.00 0.00 0.00 -1.89 -3.35 103.07 98.70 1oii h GLY 22 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1oii h GLY 22 CO 0.56 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.64 1oii n ARG 23 N -3.68 -0.12 -3.58 4.80 1.74 -1.26 -5.04 116.66 109.52 1oii n ARG 23 Ca -0.01 -0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 56.33 1oii n ARG 23 Cb 0.51 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.96 1oii n ARG 23 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1oii s ILE 24 N -0.18 0.00 0.00 0.55 2.07 -1.26 -4.89 121.20 117.49 1oii s ILE 24 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1oii s ILE 24 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1oii s ILE 24 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1oii n GLY 25 N 1.02 1.57 3.24 1.50 0.00 -0.03 -2.65 105.19 109.84 1oii n GLY 25 Ca -0.11 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1oii n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oii s ALA 26 N -0.12 -0.90 -0.08 4.61 0.00 -0.63 -0.88 121.76 123.77 1oii s ALA 26 Ca 0.00 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1oii s ALA 26 Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1oii s ALA 26 CO 0.00 -0.19 0.52 -2.00 0.00 0.00 0.00 175.76 174.09 1oii s GLU 27 N 0.42 4.31 -0.22 0.00 2.12 0.49 -0.85 118.70 124.98 1oii s GLU 27 Ca -0.02 0.55 -0.05 0.00 0.36 0.00 0.00 54.97 55.80 1oii s GLU 27 Cb -0.04 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1oii s GLU 27 CO -0.02 0.24 0.01 0.42 -0.54 0.00 0.00 175.26 175.37 1oii s ILE 28 N 0.31 3.88 0.14 -3.70 1.01 0.68 0.11 121.20 123.62 1oii s ILE 28 Ca 0.28 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1oii s ILE 28 Cb -0.16 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1oii s ILE 28 CO 0.13 0.40 0.18 -0.13 0.00 0.00 0.00 174.94 175.52 1oii s ARG 29 N 1.31 3.10 0.00 2.79 0.52 -0.39 -4.52 118.95 121.75 1oii s ARG 29 Ca 0.04 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1oii s ARG 29 Cb -0.15 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1oii s ARG 29 CO 0.01 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.26 1oii n GLY 30 N -0.23 0.45 3.03 -3.53 0.00 -1.26 -4.10 105.19 99.55 1oii n GLY 30 Ca -0.08 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1oii n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oii s VAL 31 N -2.00 1.44 -0.41 1.61 1.01 -1.26 -5.05 120.40 115.74 1oii s VAL 31 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1oii s VAL 31 Cb 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1oii s VAL 31 CO 0.00 0.43 0.36 -0.75 0.00 0.00 0.00 175.10 175.14 1oii s LYS 32 N 1.11 3.07 0.35 2.72 2.47 -1.26 -4.96 119.74 123.24 1oii s LYS 32 Ca -0.04 -0.86 -0.28 0.00 -1.56 0.00 0.00 55.97 53.22 1oii s LYS 32 Cb -0.14 -3.96 -0.10 0.00 -1.46 0.00 0.00 37.83 32.17 1oii s LYS 32 CO -0.03 -0.78 1.32 -0.51 0.16 0.00 0.00 175.35 175.51 1oii s LEU 33 N 1.90 4.37 -0.03 5.43 1.43 -1.26 -4.90 118.68 125.61 1oii s LEU 33 Ca 0.09 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.58 1oii s LEU 33 Cb -0.18 -3.71 0.11 0.00 0.03 0.00 0.00 46.19 42.44 1oii s LEU 33 CO 0.12 -0.63 1.15 -0.94 0.23 0.00 0.00 176.35 176.27 1oii s SER 34 N -0.53 -0.15 0.00 2.29 1.04 -1.26 -4.81 113.70 110.28 1oii s SER 34 Ca 0.51 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.89 1oii s SER 34 Cb -0.40 0.25 0.39 0.00 0.10 0.00 0.00 66.02 66.36 1oii s SER 34 CO 0.53 -0.44 1.15 -2.65 0.98 0.00 0.00 173.24 172.80 1oii n PRO 35 N -0.33 0.09 -0.12 4.02 -0.02 -1.26 -3.35 135.00 134.02 1oii n PRO 35 Ca -0.05 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 1oii n PRO 35 Cb 0.61 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.71 1oii n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oii n ASP 36 N -1.33 2.66 -4.66 2.55 8.00 -1.26 -4.84 116.55 117.67 1oii n ASP 36 Ca 0.03 -1.82 -0.43 0.00 0.71 0.00 0.00 54.79 53.28 1oii n ASP 36 Cb 0.07 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1oii n ASP 36 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1oii n LEU 37 N 0.64 2.93 -4.86 0.64 4.77 -1.21 -4.99 117.00 114.93 1oii n LEU 37 Ca 0.11 1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 1oii n LEU 37 Cb 0.39 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1oii n LEU 37 CO 0.08 -0.78 0.76 1.51 -1.33 0.00 0.00 177.39 177.63 1oii s ASP 38 N -0.32 4.42 0.37 -1.43 3.84 -1.26 -4.83 116.67 117.46 1oii s ASP 38 Ca 0.58 0.94 0.07 0.00 -0.00 0.00 0.00 52.55 54.14 1oii s ASP 38 Cb -0.62 -1.54 0.71 0.00 -1.38 0.00 0.00 42.92 40.09 1oii s ASP 38 CO 0.60 -1.97 1.92 0.00 -0.00 0.00 0.00 175.17 175.72 1oii h ALA 39 N -1.10 1.47 -0.22 2.11 0.00 -1.99 -1.76 119.26 117.78 1oii h ALA 39 Ca -0.47 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 1oii h ALA 39 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1oii h ALA 39 CO 0.64 0.38 -0.33 0.00 0.00 0.00 0.00 179.25 179.93 1oii h ALA 40 N 1.59 1.03 -0.05 0.00 0.00 -1.99 -0.10 119.26 119.74 1oii h ALA 40 Ca 0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1oii h ALA 40 Cb 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1oii h ALA 40 CO 0.01 0.59 -0.47 1.15 0.00 0.00 0.00 179.25 180.53 1oii h THR 41 N 0.39 1.42 -0.57 0.00 2.02 -1.74 -1.38 112.91 113.05 1oii h THR 41 Ca 0.05 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1oii h THR 41 Cb 0.77 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 1oii h THR 41 CO 0.06 0.55 0.32 0.58 0.37 0.00 0.00 175.52 177.41 1oii h VAL 42 N -0.09 1.18 -0.65 3.16 2.07 -1.25 0.25 116.25 120.92 1oii h VAL 42 Ca -0.05 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1oii h VAL 42 Cb 1.15 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1oii h VAL 42 CO 0.09 0.19 0.34 -0.08 0.02 0.00 0.00 177.57 178.14 1oii h GLU 43 N 0.77 0.92 -0.29 1.57 4.81 -1.00 -0.37 114.58 120.99 1oii h GLU 43 Ca 0.20 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1oii h GLU 43 Cb 0.02 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1oii h GLU 43 CO -0.03 0.71 -0.31 0.00 -0.73 0.00 0.00 179.01 178.65 1oii h ALA 44 N 1.16 0.93 -0.51 2.92 0.00 -0.91 -1.31 119.26 121.54 1oii h ALA 44 Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1oii h ALA 44 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1oii h ALA 44 CO -0.03 0.62 0.27 0.82 0.00 0.00 0.00 179.25 180.92 1oii h ILE 45 N 0.51 1.18 -0.77 0.00 2.04 -0.68 -1.39 117.51 118.41 1oii h ILE 45 Ca 0.06 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1oii h ILE 45 Cb 0.79 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1oii h ILE 45 CO 0.06 0.20 0.36 1.56 0.00 0.00 0.00 178.15 180.33 1oii h GLN 46 N 0.68 1.11 -0.25 2.37 1.08 -0.80 -1.43 115.11 117.88 1oii h GLN 46 Ca 0.18 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1oii h GLN 46 Cb 0.08 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1oii h GLN 46 CO -0.03 0.86 -0.11 0.00 -0.95 0.00 0.00 178.83 178.61 1oii h ALA 47 N 1.29 0.35 -0.50 3.87 0.00 -1.09 -2.00 119.26 121.17 1oii h ALA 47 Ca 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1oii h ALA 47 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1oii h ALA 47 CO -0.03 0.19 0.21 0.00 0.00 0.00 0.00 179.25 179.62 1oii h ALA 48 N 0.73 1.42 0.05 0.00 0.00 -1.12 -0.88 119.26 119.46 1oii h ALA 48 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1oii h ALA 48 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1oii h ALA 48 CO 0.03 0.44 -0.03 1.25 0.00 0.00 0.00 179.25 180.95 1oii h LEU 49 N 0.71 -0.06 -0.64 0.00 5.85 -1.13 0.13 115.31 120.17 1oii h LEU 49 Ca 0.17 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1oii h LEU 49 Cb 0.13 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1oii h LEU 49 CO -0.02 0.11 0.37 0.58 -0.34 0.00 0.00 178.44 179.14 1oii h VAL 50 N -0.23 1.20 -0.17 1.05 2.07 -1.10 -0.26 116.25 118.81 1oii h VAL 50 Ca -0.01 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1oii h VAL 50 Cb 0.20 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1oii h VAL 50 CO 0.01 0.21 -0.24 -0.09 0.02 0.00 0.00 177.57 177.48 1oii h ARG 51 N 0.88 0.46 -0.01 1.57 2.43 -1.09 -3.35 114.38 115.28 1oii h ARG 51 Ca 0.23 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1oii h ARG 51 Cb 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1oii h ARG 51 CO -0.04 0.86 -0.60 0.72 -1.51 0.00 0.00 179.97 179.40 1oii n HIS 52 N -4.43 0.00 0.00 2.20 8.25 0.46 -4.96 115.22 116.74 1oii n HIS 52 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1oii n HIS 52 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1oii n HIS 52 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1oii n LYS 53 N -0.66 0.00 -3.80 -0.41 4.01 -0.11 -0.85 118.16 116.34 1oii n LYS 53 Ca 0.06 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.72 1oii n LYS 53 Cb 0.35 -0.43 -0.15 0.00 -0.51 0.00 0.00 35.03 34.29 1oii n LYS 53 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1oii s VAL 54 N 0.00 -0.03 0.15 -0.18 0.11 -1.26 -0.71 120.40 118.48 1oii s VAL 54 Ca 0.00 0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.26 1oii s VAL 54 Cb 0.00 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.70 1oii s VAL 54 CO 0.00 0.05 -0.20 0.27 -3.33 0.00 0.00 175.10 171.89 1oii s ILE 55 N 0.67 1.88 -0.04 7.04 -4.36 0.24 -1.60 121.20 125.02 1oii s ILE 55 Ca -0.05 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 1oii s ILE 55 Cb -0.08 -1.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 1oii s ILE 55 CO -0.02 -0.22 -0.17 -0.36 0.24 0.00 0.00 174.94 174.41 1oii s PHE 56 N -1.76 1.66 -0.16 1.37 0.08 -0.03 -1.06 117.98 118.09 1oii s PHE 56 Ca 0.14 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1oii s PHE 56 Cb -0.07 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1oii s PHE 56 CO 0.06 -0.13 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.81 1oii s PHE 57 N -0.05 2.47 0.23 0.36 0.40 -0.09 -0.23 117.98 121.07 1oii s PHE 57 Ca -0.02 -1.38 0.04 0.00 -0.60 0.00 0.00 56.93 54.97 1oii s PHE 57 Cb -0.10 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1oii s PHE 57 CO 0.01 -0.70 0.37 1.03 0.70 0.00 0.00 175.22 176.63 1oii s ARG 58 N 1.25 3.45 -1.13 0.44 0.52 -1.26 -0.03 118.95 122.18 1oii s ARG 58 Ca 0.02 -0.65 -0.04 0.00 -0.52 0.00 0.00 55.73 54.54 1oii s ARG 58 Cb -0.14 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1oii s ARG 58 CO -0.09 0.42 0.47 0.41 0.02 0.00 0.00 175.30 176.52 1oii n GLY 59 N -1.22 -0.19 2.42 -3.53 0.00 -1.19 -4.90 105.19 96.58 1oii n GLY 59 Ca -0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1oii n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oii n GLN 60 N -3.18 3.07 0.25 1.61 1.13 -0.04 -4.69 117.38 115.53 1oii n GLN 60 Ca -0.08 -2.51 0.13 0.00 -1.94 0.00 0.00 57.00 52.61 1oii n GLN 60 Cb 0.59 -2.30 0.61 0.00 0.11 0.00 0.00 30.24 29.25 1oii n GLN 60 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1oii h THR 61 N 2.23 0.37 0.00 5.09 1.35 -1.91 -2.49 112.91 117.55 1oii h THR 61 Ca 0.49 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1oii h THR 61 Cb 0.67 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1oii h THR 61 CO 1.02 0.13 0.00 0.45 -0.25 0.00 0.00 175.52 176.87 1oii h HIS 62 N 0.00 0.00 -2.89 4.73 3.86 -1.97 -3.45 115.15 115.43 1oii h HIS 62 Ca -0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1oii h HIS 62 Cb 0.56 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 1oii h HIS 62 CO 0.00 0.00 1.08 -1.17 0.86 0.00 0.00 177.93 178.70 1oii s LEU 63 N -5.20 3.89 0.00 2.43 0.20 -0.94 -5.00 118.68 114.06 1oii s LEU 63 Ca 0.07 1.48 0.03 0.00 0.69 0.00 0.00 54.13 56.41 1oii s LEU 63 Cb 0.09 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.35 1oii s LEU 63 CO 0.58 -1.20 0.25 -0.90 -0.29 0.00 0.00 176.35 174.79 1oii n ASP 64 N 8.18 1.56 -0.23 3.68 5.68 -1.26 -4.89 116.55 129.28 1oii n ASP 64 Ca 0.17 -1.84 0.03 0.00 -0.50 0.00 0.00 54.79 52.65 1oii n ASP 64 Cb 0.46 -0.08 0.14 0.00 -1.14 0.00 0.00 41.12 40.50 1oii n ASP 64 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1oii h ASP 65 N 0.23 0.18 0.03 -1.12 3.32 -1.96 -0.33 116.42 116.77 1oii h ASP 65 Ca -0.15 0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.77 1oii h ASP 65 Cb 0.59 0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.26 1oii h ASP 65 CO 0.23 0.08 -0.92 1.56 -1.72 0.00 0.00 179.24 178.48 1oii h GLN 66 N 0.38 0.56 -0.65 3.56 7.50 -1.95 -2.71 115.11 121.81 1oii h GLN 66 Ca 0.36 -0.65 -0.05 0.00 0.50 0.00 0.00 58.65 58.81 1oii h GLN 66 Cb 0.52 0.20 -0.03 0.00 0.05 0.00 0.00 27.48 28.21 1oii h GLN 66 CO -0.38 1.26 0.21 1.03 -1.50 0.00 0.00 178.83 179.45 1oii h SER 67 N 0.15 0.91 -0.33 1.46 0.87 -1.89 -0.07 113.55 114.65 1oii h SER 67 Ca -0.12 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1oii h SER 67 Cb 1.61 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 1oii h SER 67 CO 0.18 0.85 0.16 -0.61 -0.53 0.00 0.00 176.83 176.88 1oii h GLN 68 N 0.95 0.47 -0.77 2.24 4.15 -1.03 0.12 115.11 121.24 1oii h GLN 68 Ca 0.21 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1oii h GLN 68 Cb 0.26 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1oii h GLN 68 CO -0.01 0.43 0.33 1.49 -1.93 0.00 0.00 178.83 179.14 1oii h GLU 69 N 0.40 1.14 -0.20 1.69 4.81 -1.16 -0.29 114.58 120.98 1oii h GLU 69 Ca 0.11 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1oii h GLU 69 Cb 0.11 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.30 1oii h GLU 69 CO -0.02 0.91 -0.60 0.78 -0.73 0.00 0.00 179.01 179.36 1oii h GLY 70 N 1.15 0.83 0.89 1.92 0.00 -0.75 -2.55 103.07 104.56 1oii h GLY 70 Ca 0.26 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.54 1oii h GLY 70 CO -0.02 0.96 0.28 -2.75 0.00 0.00 0.00 176.54 175.00 1oii h PHE 71 N 0.48 0.52 -0.84 5.60 3.57 -0.66 -2.95 116.94 122.66 1oii h PHE 71 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1oii h PHE 71 Cb 1.22 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1oii h PHE 71 CO 0.09 0.30 0.55 0.00 -2.23 0.00 0.00 178.31 177.01 1oii h ALA 72 N 1.21 1.56 0.00 2.41 0.00 -0.87 -1.27 119.26 122.29 1oii h ALA 72 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1oii h ALA 72 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1oii h ALA 72 CO -0.08 0.33 -0.05 0.87 0.00 0.00 0.00 179.25 180.31 1oii h LYS 73 N 0.95 0.00 0.00 0.00 1.57 -1.28 0.26 116.57 118.07 1oii h LYS 73 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1oii h LYS 73 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1oii h LYS 73 CO -0.12 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.74 1oii h LEU 74 N 0.00 0.00 0.00 2.94 3.38 -1.25 -3.27 115.31 117.11 1oii h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oii h LEU 74 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1oii h LEU 74 CO 0.01 0.00 -1.81 0.18 0.09 0.00 0.00 178.44 176.90 1oii n LEU 75 N -2.82 0.07 0.00 1.67 4.77 0.88 -5.05 117.00 116.53 1oii n LEU 75 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1oii n LEU 75 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1oii n LEU 75 CO 0.23 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1oii n GLY 76 N 1.39 -0.88 3.44 -0.72 0.00 -1.14 -5.11 105.19 102.18 1oii n GLY 76 Ca -0.03 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1oii n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oii s GLU 77 N -0.90 3.30 0.48 1.61 8.01 -1.26 -4.28 118.70 125.66 1oii s GLU 77 Ca 0.00 -0.75 -0.23 0.00 0.01 0.00 0.00 54.97 54.01 1oii s GLU 77 Cb 0.00 -3.60 -0.09 0.00 -4.31 0.00 0.00 34.13 26.13 1oii s GLU 77 CO 0.00 -0.45 1.06 -2.30 0.01 0.00 0.00 175.26 173.58 1oii n PRO 78 N 4.99 1.35 0.00 0.39 -0.02 -1.26 -0.27 135.00 140.19 1oii n PRO 78 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1oii n PRO 78 Cb 0.49 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1oii n PRO 78 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1oii n VAL 79 N -0.79 0.00 -0.62 -1.45 0.24 -0.15 -4.71 118.33 110.85 1oii n VAL 79 Ca 0.10 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.24 1oii n VAL 79 Cb 0.42 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 1oii n VAL 79 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1oii n PRO 85 N 0.00 0.00 -3.96 7.34 -0.02 -1.26 -4.86 135.00 132.24 1oii n PRO 85 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1oii n PRO 85 Cb 0.00 -0.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.85 1oii n PRO 85 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1oii s VAL 86 N 3.45 5.21 0.21 -1.45 -7.23 -1.26 -4.75 120.40 114.57 1oii s VAL 86 Ca 0.56 -1.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.41 1oii s VAL 86 Cb -0.51 -3.84 -0.13 0.00 0.56 0.00 0.00 36.38 32.46 1oii s VAL 86 CO 0.21 -0.33 1.57 0.52 -0.31 0.00 0.00 175.10 176.76 1oii n VAL 87 N -1.41 0.36 -2.07 1.32 0.31 0.34 -4.91 118.33 112.27 1oii n VAL 87 Ca -0.09 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 1oii n VAL 87 Cb 0.57 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 1oii n VAL 87 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1oii s ASP 88 N 0.75 6.37 -0.46 4.52 1.01 -1.26 -1.03 116.67 126.57 1oii s ASP 88 Ca 0.74 2.65 -0.18 0.00 0.71 0.00 0.00 52.55 56.46 1oii s ASP 88 Cb -0.62 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 40.72 1oii s ASP 88 CO 0.41 -0.81 0.53 -0.83 0.21 0.00 0.00 175.17 174.69 1oii s GLY 89 N -0.72 1.84 0.25 0.21 0.00 -1.26 -5.03 107.32 102.60 1oii s GLY 89 Ca 0.56 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1oii s GLY 89 CO 0.49 1.33 0.03 -0.51 0.00 0.00 0.00 173.10 174.43 1oii s THR 90 N 2.38 0.97 -0.14 0.90 -4.23 -0.20 -4.85 115.64 110.48 1oii s THR 90 Ca 0.14 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1oii s THR 90 Cb -0.18 -2.48 -0.23 0.00 1.34 0.00 0.00 72.50 70.94 1oii s THR 90 CO 0.13 -0.20 0.30 0.54 -0.54 0.00 0.00 174.62 174.85 1oii n ARG 91 N -0.48 0.67 0.00 3.99 1.74 -1.26 -4.74 116.66 116.59 1oii n ARG 91 Ca -0.04 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1oii n ARG 91 Cb 0.65 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1oii n ARG 91 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1oii n TYR 92 N -3.03 0.00 -3.32 -1.55 4.01 -1.26 -4.90 117.16 107.11 1oii n TYR 92 Ca -0.28 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.06 1oii n TYR 92 Cb 1.08 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 40.03 1oii n TYR 92 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1oii s LEU 93 N -0.03 4.15 -0.17 7.72 2.96 -1.26 -4.61 118.68 127.44 1oii s LEU 93 Ca 0.00 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 1oii s LEU 93 Cb 0.00 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1oii s LEU 93 CO 0.00 -0.29 0.15 -0.76 -1.32 0.00 0.00 176.35 174.13 1oii s LEU 94 N 2.19 4.28 -0.19 -0.68 1.02 -0.07 -0.50 118.68 124.74 1oii s LEU 94 Ca 0.17 0.34 -0.11 0.00 0.02 0.00 0.00 54.13 54.55 1oii s LEU 94 Cb -0.16 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 43.89 1oii s LEU 94 CO 0.11 0.26 0.18 -1.58 0.02 0.00 0.00 176.35 175.33 1oii s GLN 95 N -0.14 4.18 -0.10 1.70 0.74 -1.26 -0.28 119.66 124.50 1oii s GLN 95 Ca 0.11 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.43 1oii s GLN 95 Cb -0.12 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1oii s GLN 95 CO 0.01 0.30 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.30 1oii s LEU 96 N 0.34 2.08 -0.22 3.68 2.01 -0.27 -5.01 118.68 121.28 1oii s LEU 96 Ca 0.11 -0.56 0.18 0.00 0.01 0.00 0.00 54.13 53.87 1oii s LEU 96 Cb -0.12 -1.40 0.42 0.00 0.01 0.00 0.00 46.19 45.11 1oii s LEU 96 CO -0.00 0.15 1.24 -0.90 1.01 0.00 0.00 176.35 177.85 1oii n ASP 97 N 3.59 0.35 -3.22 2.29 5.68 -1.26 -1.69 116.55 122.28 1oii n ASP 97 Ca -0.19 -2.08 -0.02 0.00 -0.50 0.00 0.00 54.79 52.00 1oii n ASP 97 Cb 0.53 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 1oii n ASP 97 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1oii s ARG 103 N -1.76 0.80 -1.02 0.11 0.52 -1.26 -5.03 118.95 111.31 1oii s ARG 103 Ca 0.20 -0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 54.96 1oii s ARG 103 Cb 0.34 -0.03 -0.08 0.00 0.52 0.00 0.00 34.95 35.70 1oii s ARG 103 CO -0.08 -1.20 3.01 0.00 0.02 0.00 0.00 175.30 177.06 1oii n ALA 104 N 4.35 7.01 -1.91 2.13 0.00 -1.26 -4.78 120.51 126.05 1oii n ALA 104 Ca 0.11 -3.14 -0.38 0.00 0.00 0.00 0.00 53.44 50.04 1oii n ALA 104 Cb 0.55 -2.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.13 1oii n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1oii n ASN 105 N 2.66 7.74 -3.79 0.00 2.04 -1.20 -0.78 115.26 121.93 1oii n ASN 105 Ca 0.63 -3.17 -0.13 0.00 -0.44 0.00 0.00 54.58 51.48 1oii n ASN 105 Cb 0.45 -1.33 -0.11 0.00 -2.53 0.00 0.00 39.78 36.25 1oii n ASN 105 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1oii s SER 106 N 0.33 -0.26 -0.01 0.53 0.15 -1.26 -4.94 113.70 108.23 1oii s SER 106 Ca 0.55 0.48 -0.30 0.00 0.70 0.00 0.00 55.95 57.38 1oii s SER 106 Cb 0.22 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1oii s SER 106 CO -0.12 -0.12 1.41 0.26 1.20 0.00 0.00 173.24 175.88 1oii s TRP 107 N 0.02 2.78 0.15 3.44 0.52 -1.26 -4.48 118.94 120.10 1oii s TRP 107 Ca -0.01 0.78 -0.19 0.00 0.02 0.00 0.00 56.10 56.69 1oii s TRP 107 Cb -0.02 -3.68 0.05 0.00 -1.15 0.00 0.00 33.47 28.67 1oii s TRP 107 CO 0.01 -2.52 0.50 -3.38 0.02 0.00 0.00 176.95 171.57 1oii s HIS 108 N 2.60 -0.34 -0.12 -1.98 -3.43 -0.89 -1.01 115.29 110.11 1oii s HIS 108 Ca 0.64 0.07 -0.03 0.00 -0.80 0.00 0.00 55.06 54.94 1oii s HIS 108 Cb -0.31 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1oii s HIS 108 CO 0.26 -0.78 -0.02 0.99 -2.00 0.00 0.00 174.74 173.19 1oii s THR 109 N -3.79 4.09 0.26 -5.38 2.01 -1.26 -1.21 115.64 110.36 1oii s THR 109 Ca 0.03 -0.31 -0.31 0.00 0.31 0.00 0.00 61.69 61.41 1oii s THR 109 Cb 0.00 -2.76 -0.11 0.00 0.01 0.00 0.00 72.50 69.64 1oii s THR 109 CO -0.12 0.54 1.62 -1.81 -0.69 0.00 0.00 174.62 174.17 1oii s ASP 110 N -0.24 6.40 -1.48 3.53 -0.00 -1.26 -3.49 116.67 120.12 1oii s ASP 110 Ca 0.05 2.89 0.00 0.00 -0.00 0.00 0.00 52.55 55.49 1oii s ASP 110 Cb -0.13 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 1oii s ASP 110 CO 0.02 -0.92 0.00 0.52 -0.00 0.00 0.00 175.17 174.79 1oii n VAL 111 N 2.84 -0.64 0.54 -1.27 0.31 -1.26 -4.42 118.33 114.43 1oii n VAL 111 Ca 0.11 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.49 1oii n VAL 111 Cb 0.37 -2.22 0.28 0.00 -0.91 0.00 0.00 33.84 31.36 1oii n VAL 111 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1oii n THR 112 N -3.39 0.53 1.15 2.52 -2.24 -1.23 -1.68 114.28 109.93 1oii n THR 112 Ca -0.19 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1oii n THR 112 Cb 0.63 -0.96 0.59 0.00 -2.10 0.00 0.00 70.33 68.49 1oii n THR 112 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1oii n PHE 113 N -1.20 0.00 -4.00 4.78 1.16 -1.26 -4.73 117.46 112.20 1oii n PHE 113 Ca 0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.42 1oii n PHE 113 Cb 0.07 -0.22 -0.05 0.00 -1.61 0.00 0.00 39.48 37.66 1oii n PHE 113 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1oii s VAL 114 N -2.44 3.37 -0.01 1.97 -7.23 -0.67 -3.77 120.40 111.60 1oii s VAL 114 Ca 0.24 -1.56 -0.25 0.00 -1.81 0.00 0.00 61.98 58.61 1oii s VAL 114 Cb 0.15 -3.08 -0.18 0.00 0.56 0.00 0.00 36.38 33.83 1oii s VAL 114 CO 0.33 -0.21 1.19 -0.08 -0.31 0.00 0.00 175.10 176.02 1oii h GLU 115 N 1.45 -0.18 -3.13 4.82 4.81 -1.86 -3.36 114.58 117.12 1oii h GLU 115 Ca -0.44 0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.09 1oii h GLU 115 Cb 1.25 0.04 -0.35 0.00 0.63 0.00 0.00 28.75 30.32 1oii h GLU 115 CO 0.61 0.22 -0.00 0.00 -0.73 0.00 0.00 179.01 179.11 1oii n ALA 116 N -2.42 4.05 -1.77 2.92 0.00 -1.26 -4.09 120.51 117.93 1oii n ALA 116 Ca -0.09 -4.65 -0.30 0.00 0.00 0.00 0.00 53.44 48.40 1oii n ALA 116 Cb 0.25 -1.73 0.05 0.00 0.00 0.00 0.00 19.45 18.02 1oii n ALA 116 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1oii s TYR 117 N -1.71 3.21 0.44 0.00 -0.85 -1.26 -4.31 117.35 112.86 1oii s TYR 117 Ca 0.30 1.13 -0.24 0.00 -0.52 0.00 0.00 57.07 57.73 1oii s TYR 117 Cb -0.03 -3.04 -0.10 0.00 0.38 0.00 0.00 41.96 39.18 1oii s TYR 117 CO -0.08 -1.30 1.13 -2.30 -1.52 0.00 0.00 175.55 171.48 1oii n PRO 118 N -3.11 1.56 0.15 -3.49 -0.02 -1.26 -3.23 135.00 125.60 1oii n PRO 118 Ca 0.07 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1oii n PRO 118 Cb 0.56 -2.21 0.09 0.00 -0.02 0.00 0.00 33.50 31.93 1oii n PRO 118 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1oii h LYS 119 N 1.67 0.00 -2.00 -0.52 2.10 -1.37 -3.41 116.57 113.04 1oii h LYS 119 Ca -0.46 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.31 1oii h LYS 119 Cb 1.32 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.48 1oii h LYS 119 CO 0.58 0.00 0.56 0.00 -2.00 0.00 0.00 179.45 178.58 1oii s ALA 120 N -3.28 -1.89 0.13 0.07 0.00 -1.25 -0.92 121.76 114.63 1oii s ALA 120 Ca 0.03 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1oii s ALA 120 Cb 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1oii s ALA 120 CO 0.73 -0.59 -0.11 -1.12 0.00 0.00 0.00 175.76 174.67 1oii s SER 121 N -2.14 1.76 -0.17 0.00 0.01 -1.18 -0.97 113.70 111.00 1oii s SER 121 Ca 0.04 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1oii s SER 121 Cb -0.01 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.23 1oii s SER 121 CO -0.06 -0.27 -0.14 -0.63 0.41 0.00 0.00 173.24 172.55 1oii s ILE 122 N -2.82 1.68 -0.08 1.44 1.01 0.82 -2.79 121.20 120.47 1oii s ILE 122 Ca 0.12 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1oii s ILE 122 Cb -0.01 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1oii s ILE 122 CO 0.01 0.36 -0.12 -0.22 0.00 0.00 0.00 174.94 174.98 1oii s LEU 123 N 1.42 1.56 -0.03 2.97 2.96 -0.10 -1.01 118.68 126.45 1oii s LEU 123 Ca 0.03 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1oii s LEU 123 Cb -0.14 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1oii s LEU 123 CO -0.10 0.00 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.11 1oii s ARG 124 N 0.90 2.25 -0.24 1.98 3.52 0.22 -0.51 118.95 127.07 1oii s ARG 124 Ca -0.10 -0.85 -0.23 0.00 -0.13 0.00 0.00 55.73 54.41 1oii s ARG 124 Cb -0.15 -2.15 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 1oii s ARG 124 CO 0.01 0.57 0.77 0.45 -0.81 0.00 0.00 175.30 176.30 1oii s SER 125 N -0.63 6.77 -0.25 -2.12 0.15 -0.43 -0.59 113.70 116.59 1oii s SER 125 Ca 0.10 0.95 -0.14 0.00 0.70 0.00 0.00 55.95 57.56 1oii s SER 125 Cb -0.10 -2.41 -0.15 0.00 -1.71 0.00 0.00 66.02 61.65 1oii s SER 125 CO -0.00 -0.47 -0.15 0.52 1.20 0.00 0.00 173.24 174.34 1oii n VAL 126 N 5.22 1.54 -4.15 4.45 0.31 0.56 -1.40 118.33 124.86 1oii n VAL 126 Ca 0.04 -0.32 -0.28 0.00 -0.01 0.00 0.00 64.34 63.77 1oii n VAL 126 Cb 0.48 -1.87 -0.17 0.00 -0.91 0.00 0.00 33.84 31.37 1oii n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1oii s VAL 127 N -2.47 1.37 -0.21 2.52 1.01 -0.45 -4.77 120.40 117.41 1oii s VAL 127 Ca -0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1oii s VAL 127 Cb 0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1oii s VAL 127 CO 0.54 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.98 1oii s ALA 128 N 1.35 2.70 0.27 5.51 0.00 -1.26 -0.99 121.76 129.33 1oii s ALA 128 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1oii s ALA 128 Cb -0.14 -1.57 -0.14 0.00 0.00 0.00 0.00 23.12 21.27 1oii s ALA 128 CO -0.06 -0.41 1.12 -2.30 0.00 0.00 0.00 175.76 174.11 1oii n PRO 129 N 4.75 1.49 0.07 0.00 -0.02 -1.24 -4.86 135.00 135.18 1oii n PRO 129 Ca -0.19 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 61.86 1oii n PRO 129 Cb 0.51 -1.98 0.47 0.00 -0.02 0.00 0.00 33.50 32.48 1oii n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oii h ALA 130 N 2.61 1.76 -3.46 3.55 0.00 -1.94 -3.42 119.26 118.36 1oii h ALA 130 Ca -0.42 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1oii h ALA 130 Cb 1.33 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 1oii h ALA 130 CO 0.65 0.21 -0.72 -1.54 0.00 0.00 0.00 179.25 177.85 1oii s SER 131 N -6.79 0.31 0.00 0.00 1.04 -1.26 -5.11 113.70 101.89 1oii s SER 131 Ca -0.07 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1oii s SER 131 Cb 0.17 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1oii s SER 131 CO 0.72 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.44 1oii n GLY 132 N 2.38 -2.63 0.22 7.32 0.00 -1.26 -4.66 105.19 106.56 1oii n GLY 132 Ca -0.17 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1oii n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oii n GLY 133 N -0.72 0.94 3.75 -0.02 0.00 -1.26 -4.65 105.19 103.23 1oii n GLY 133 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1oii n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oii s ASP 134 N -2.01 4.01 0.09 1.61 1.11 -1.26 -4.70 116.67 115.51 1oii s ASP 134 Ca 0.00 1.54 0.09 0.00 0.18 0.00 0.00 52.55 54.35 1oii s ASP 134 Cb 0.00 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.72 1oii s ASP 134 CO 0.00 -2.31 -0.23 -0.89 1.18 0.00 0.00 175.17 172.93 1oii s THR 135 N -2.98 1.85 -0.04 -1.27 2.01 -0.92 -0.57 115.64 113.72 1oii s THR 135 Ca 0.62 -1.47 0.05 0.00 0.31 0.00 0.00 61.69 61.20 1oii s THR 135 Cb -0.17 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1oii s THR 135 CO 0.56 0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.70 1oii s VAL 136 N -1.00 1.59 0.12 3.82 1.01 -0.22 -0.49 120.40 125.23 1oii s VAL 136 Ca 0.09 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1oii s VAL 136 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1oii s VAL 136 CO 0.04 0.45 -0.17 0.26 0.00 0.00 0.00 175.10 175.68 1oii s TRP 137 N -0.11 2.55 0.01 5.22 0.51 0.23 -0.89 118.94 126.47 1oii s TRP 137 Ca -0.01 -0.25 0.08 0.00 -2.12 0.00 0.00 56.10 53.79 1oii s TRP 137 Cb -0.11 -1.34 -0.02 0.00 -0.81 0.00 0.00 33.47 31.18 1oii s TRP 137 CO 0.02 0.40 -0.23 0.00 -0.51 0.00 0.00 176.95 176.63 1oii s ALA 138 N -1.19 1.93 -0.65 0.98 0.00 0.27 -1.21 121.76 121.88 1oii s ALA 138 Ca 0.19 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1oii s ALA 138 Cb -0.10 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.65 1oii s ALA 138 CO 0.11 0.46 0.93 1.21 0.00 0.00 0.00 175.76 178.46 1oii s ASN 139 N -0.87 6.18 0.17 0.00 3.84 0.42 -2.08 114.94 122.60 1oii s ASN 139 Ca 0.09 -1.08 0.24 0.00 0.21 0.00 0.00 52.86 52.32 1oii s ASN 139 Cb -0.09 -2.40 0.91 0.00 -0.55 0.00 0.00 41.25 39.12 1oii s ASN 139 CO 0.01 -1.39 1.73 0.35 -2.79 0.00 0.00 177.10 175.00 1oii n THR 140 N 5.86 0.67 0.03 -5.21 -2.24 -0.51 -1.98 114.28 110.89 1oii n THR 140 Ca -0.04 0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1oii n THR 140 Cb 0.45 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.68 1oii n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oii h ALA 141 N 2.48 -0.07 -1.00 6.98 0.00 -1.76 -1.79 119.26 124.10 1oii h ALA 141 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.29 1oii h ALA 141 Cb 0.49 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1oii h ALA 141 CO 0.00 0.31 0.65 0.00 0.00 0.00 0.00 179.25 180.22 1oii h ALA 142 N 0.06 1.34 -0.38 0.00 0.00 -1.82 -1.58 119.26 116.88 1oii h ALA 142 Ca -0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1oii h ALA 142 Cb 1.52 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1oii h ALA 142 CO 0.12 0.53 0.22 0.00 0.00 0.00 0.00 179.25 180.13 1oii h ALA 143 N 1.42 0.48 -0.03 0.00 0.00 -1.46 -1.76 119.26 117.90 1oii h ALA 143 Ca 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1oii h ALA 143 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1oii h ALA 143 CO -0.13 -0.02 -0.05 -0.92 0.00 0.00 0.00 179.25 178.13 1oii h TYR 144 N 0.49 -0.11 -0.68 0.00 3.20 -1.27 -3.20 116.97 115.40 1oii h TYR 144 Ca 0.14 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1oii h TYR 144 Cb 0.01 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1oii h TYR 144 CO -0.03 -0.07 0.45 1.96 -1.64 0.00 0.00 178.16 178.82 1oii h GLN 145 N -0.07 0.86 0.00 1.82 1.08 -1.07 -2.15 115.11 115.59 1oii h GLN 145 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1oii h GLN 145 Cb 0.11 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1oii h GLN 145 CO -0.07 0.57 0.00 -0.85 -0.95 0.00 0.00 178.83 177.53 1oii n GLU 146 N -4.44 0.08 -2.02 1.46 0.28 -0.68 -4.82 120.64 110.49 1oii n GLU 146 Ca 0.07 0.23 -0.41 0.00 -0.16 0.00 0.00 57.16 56.90 1oii n GLU 146 Cb 0.06 -1.63 -0.02 0.00 1.43 0.00 0.00 31.44 31.28 1oii n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1oii s LEU 147 N -3.55 4.39 0.49 -1.84 1.43 -0.81 -4.97 118.68 113.83 1oii s LEU 147 Ca 0.08 2.70 -0.22 0.00 -1.03 0.00 0.00 54.13 55.66 1oii s LEU 147 Cb 0.12 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 1oii s LEU 147 CO 0.39 -0.67 1.06 -2.65 0.23 0.00 0.00 176.35 174.72 1oii n PRO 148 N 1.82 1.33 -0.28 1.29 -0.02 -1.26 -4.55 135.00 133.33 1oii n PRO 148 Ca 0.05 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1oii n PRO 148 Cb 0.41 -2.19 0.25 0.00 -0.02 0.00 0.00 33.50 31.95 1oii n PRO 148 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1oii h GLU 149 N 1.27 0.40 -0.17 -0.52 9.09 -1.95 -0.39 114.58 122.32 1oii h GLU 149 Ca -0.47 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 1oii h GLU 149 Cb 1.34 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 1oii h GLU 149 CO 0.55 0.26 -0.11 -1.35 0.05 0.00 0.00 179.01 178.42 1oii h PRO 150 N 0.41 0.26 -0.10 1.06 0.11 -1.99 -0.26 132.00 131.49 1oii h PRO 150 Ca 0.49 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.34 1oii h PRO 150 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1oii h PRO 150 CO -0.48 0.38 -0.78 1.25 -0.21 0.00 0.00 178.00 178.16 1oii h LEU 151 N 0.25 0.67 -0.61 2.35 5.85 -1.44 -1.50 115.31 120.88 1oii h LEU 151 Ca 0.05 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1oii h LEU 151 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1oii h LEU 151 CO 0.02 1.22 0.36 0.03 -0.34 0.00 0.00 178.44 179.74 1oii h ARG 152 N 0.37 0.68 -0.84 1.25 3.08 -0.92 0.06 114.38 118.07 1oii h ARG 152 Ca -0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1oii h ARG 152 Cb 1.38 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1oii h ARG 152 CO 0.14 0.45 0.39 1.49 -1.07 0.00 0.00 179.97 181.38 1oii h GLU 153 N 0.70 1.21 -0.18 0.04 4.57 -0.94 0.23 114.58 120.23 1oii h GLU 153 Ca 0.26 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1oii h GLU 153 Cb 0.07 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1oii h GLU 153 CO -0.12 0.94 0.05 1.25 -1.18 0.00 0.00 179.01 179.94 1oii h LEU 154 N 1.20 0.26 -1.11 1.64 5.85 -0.89 -3.03 115.31 119.23 1oii h LEU 154 Ca 0.29 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1oii h LEU 154 Cb 0.13 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1oii h LEU 154 CO -0.03 0.41 0.60 0.00 -0.34 0.00 0.00 178.44 179.07 1oii h ALA 155 N 0.86 1.40 0.00 1.25 0.00 0.02 -0.65 119.26 122.14 1oii h ALA 155 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1oii h ALA 155 Cb 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1oii h ALA 155 CO -0.00 0.52 0.23 -0.44 0.00 0.00 0.00 179.25 179.56 1oii h ASP 156 N 1.17 0.00 0.00 0.00 3.32 -0.45 -2.39 116.42 118.07 1oii h ASP 156 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1oii h ASP 156 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1oii h ASP 156 CO -0.10 0.00 -0.93 0.29 -1.72 0.00 0.00 179.24 176.78 1oii n LYS 157 N -2.59 1.81 -2.87 3.56 5.02 -0.26 -4.71 118.16 118.12 1oii n LYS 157 Ca -0.02 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.92 1oii n LYS 157 Cb 0.27 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1oii n LYS 157 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1oii s LEU 158 N -3.02 3.89 0.06 -0.35 1.43 -0.90 -4.99 118.68 114.80 1oii s LEU 158 Ca 0.03 1.32 0.07 0.00 -1.03 0.00 0.00 54.13 54.52 1oii s LEU 158 Cb 0.10 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1oii s LEU 158 CO 0.59 -0.36 -0.19 0.26 0.23 0.00 0.00 176.35 176.88 1oii s TRP 159 N -2.26 1.64 0.13 0.29 0.52 -1.26 -1.41 118.94 116.59 1oii s TRP 159 Ca 0.55 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 56.36 1oii s TRP 159 Cb -0.10 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 1oii s TRP 159 CO 0.24 0.11 -0.19 0.00 0.02 0.00 0.00 176.95 177.14 1oii s ALA 160 N -0.96 1.86 -0.23 0.98 0.00 0.32 -0.55 121.76 123.19 1oii s ALA 160 Ca 0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 1oii s ALA 160 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1oii s ALA 160 CO 0.02 0.28 0.35 0.08 0.00 0.00 0.00 175.76 176.49 1oii s VAL 161 N -1.65 5.22 -0.09 0.00 1.01 -0.18 -1.41 120.40 123.31 1oii s VAL 161 Ca 0.11 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1oii s VAL 161 Cb -0.08 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1oii s VAL 161 CO 0.05 0.24 0.02 -1.00 0.00 0.00 0.00 175.10 174.41 1oii s HIS 162 N 1.49 3.21 0.01 5.22 3.76 0.11 0.43 115.29 129.52 1oii s HIS 162 Ca 0.16 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.20 1oii s HIS 162 Cb -0.15 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1oii s HIS 162 CO 0.08 0.50 0.21 0.45 -0.85 0.00 0.00 174.74 175.13 1oii s SER 163 N -0.91 -0.04 0.00 1.40 0.15 0.14 -1.20 113.70 113.23 1oii s SER 163 Ca 0.14 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.81 1oii s SER 163 Cb -0.11 0.26 0.55 0.00 -1.71 0.00 0.00 66.02 65.00 1oii s SER 163 CO 0.03 -0.44 1.43 -0.46 1.20 0.00 0.00 173.24 174.99 1oii n ASN 164 N 1.20 2.10 -4.51 5.45 2.04 -1.12 -4.72 115.26 115.71 1oii n ASN 164 Ca -0.21 -1.87 -0.43 0.00 -0.44 0.00 0.00 54.58 51.63 1oii n ASN 164 Cb 0.56 -0.20 -0.06 0.00 -2.53 0.00 0.00 39.78 37.56 1oii n ASN 164 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1oii s GLU 165 N -1.61 3.29 -0.44 -3.83 0.41 -1.26 -4.97 118.70 110.29 1oii s GLU 165 Ca 0.31 -0.38 0.03 0.00 -0.41 0.00 0.00 54.97 54.52 1oii s GLU 165 Cb 0.17 -3.98 0.16 0.00 -1.78 0.00 0.00 34.13 28.69 1oii s GLU 165 CO 0.24 -1.13 0.32 0.14 -0.49 0.00 0.00 175.26 174.33 1oii s VAL 191 N 3.05 0.77 0.02 2.63 -7.23 -1.26 -5.22 120.40 113.16 1oii s VAL 191 Ca 0.24 -2.64 -0.04 0.00 -1.81 0.00 0.00 61.98 57.73 1oii s VAL 191 Cb -0.14 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1oii s VAL 191 CO 0.19 -1.11 0.24 -0.31 -0.31 0.00 0.00 175.10 173.80 1oii s TYR 192 N 0.13 3.55 -0.03 2.82 1.51 -1.26 -4.28 117.35 119.78 1oii s TYR 192 Ca 0.27 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1oii s TYR 192 Cb -0.07 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1oii s TYR 192 CO -0.12 0.61 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.68 1oii s GLU 193 N -2.00 0.61 0.01 -0.62 2.02 -1.21 -2.78 118.70 114.73 1oii s GLU 193 Ca 0.29 -0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.22 1oii s GLU 193 Cb -0.13 -0.65 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 1oii s GLU 193 CO 0.19 -0.04 -0.06 0.99 0.02 0.00 0.00 175.26 176.36 1oii s THR 194 N 0.66 0.46 -0.27 3.63 2.01 -0.34 -0.66 115.64 121.14 1oii s THR 194 Ca -0.08 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1oii s THR 194 Cb -0.11 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1oii s THR 194 CO -0.00 -0.05 0.13 -1.61 -0.69 0.00 0.00 174.62 172.40 1oii s GLU 195 N -0.63 3.80 0.11 4.92 2.02 -0.17 0.04 118.70 128.79 1oii s GLU 195 Ca -0.02 -0.40 0.10 0.00 0.02 0.00 0.00 54.97 54.67 1oii s GLU 195 Cb -0.05 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1oii s GLU 195 CO 0.00 -0.19 -0.22 -1.01 0.02 0.00 0.00 175.26 173.86 1oii s HIS 196 N 1.69 2.44 0.51 1.61 3.76 -0.50 -1.56 115.29 123.25 1oii s HIS 196 Ca 0.07 -0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 1oii s HIS 196 Cb -0.16 -1.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.15 1oii s HIS 196 CO 0.08 0.35 1.28 -1.25 -0.85 0.00 0.00 174.74 174.34 1oii s PRO 197 N -2.02 3.40 0.40 8.40 0.04 -1.26 -0.52 135.00 143.44 1oii s PRO 197 Ca 0.16 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.39 1oii s PRO 197 Cb -0.10 -2.32 0.83 0.00 0.04 0.00 0.00 34.50 32.95 1oii s PRO 197 CO 0.08 -0.92 1.86 0.28 0.04 0.00 0.00 177.00 178.34 1oii h VAL 198 N 1.63 1.12 -3.35 -0.36 2.07 -1.48 -3.41 116.25 112.46 1oii h VAL 198 Ca -0.50 -1.17 -0.66 0.00 0.82 0.00 0.00 66.70 65.19 1oii h VAL 198 Cb 1.28 1.65 -0.27 0.00 -1.52 0.00 0.00 31.29 32.43 1oii h VAL 198 CO 0.58 0.32 -0.74 -0.69 0.02 0.00 0.00 177.57 177.07 1oii s VAL 199 N -4.15 3.27 -0.11 2.57 1.01 -1.26 -0.29 120.40 121.44 1oii s VAL 199 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1oii s VAL 199 Cb 0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1oii s VAL 199 CO 0.70 0.46 -0.05 -0.60 0.00 0.00 0.00 175.10 175.61 1oii s ARG 200 N 1.04 3.24 -0.40 2.72 3.52 0.12 -4.02 118.95 125.18 1oii s ARG 200 Ca 0.00 -0.53 -0.21 0.00 -0.13 0.00 0.00 55.73 54.86 1oii s ARG 200 Cb -0.15 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1oii s ARG 200 CO -0.01 0.45 0.67 0.08 -0.81 0.00 0.00 175.30 175.69 1oii s VAL 201 N -0.22 4.82 0.15 7.11 1.01 -0.11 -0.86 120.40 132.30 1oii s VAL 201 Ca 0.04 0.44 -0.33 0.00 0.00 0.00 0.00 61.98 62.13 1oii s VAL 201 Cb -0.13 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 1oii s VAL 201 CO 0.02 -0.47 1.71 1.57 0.00 0.00 0.00 175.10 177.93 1oii n HIS 202 N 6.24 2.51 0.31 5.22 -0.00 -0.48 -4.48 115.22 124.54 1oii n HIS 202 Ca -0.00 0.08 0.15 0.00 0.46 0.00 0.00 57.72 58.41 1oii n HIS 202 Cb 0.48 -2.64 0.69 0.00 -0.12 0.00 0.00 29.99 28.40 1oii n HIS 202 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1oii h PRO 203 N 7.02 0.00 0.00 1.57 0.13 -1.95 0.24 132.00 139.01 1oii h PRO 203 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1oii h PRO 203 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1oii h PRO 203 CO 0.93 0.00 -2.08 -0.89 -0.23 0.00 0.00 178.00 175.73 1oii n ILE 204 N -2.64 1.26 0.12 -3.56 2.08 -1.26 -4.71 119.36 110.66 1oii n ILE 204 Ca 0.00 -0.25 0.05 0.00 0.56 0.00 0.00 62.75 63.11 1oii n ILE 204 Cb 0.19 -1.86 0.02 0.00 -0.75 0.00 0.00 39.64 37.25 1oii n ILE 204 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1oii h SER 205 N -0.81 0.00 0.00 4.38 4.64 -1.97 -3.47 113.55 116.32 1oii h SER 205 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1oii h SER 205 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1oii h SER 205 CO -0.30 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1oii n GLY 206 N 1.23 1.10 3.76 -0.77 0.00 0.07 -4.99 105.19 105.59 1oii n GLY 206 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1oii n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oii s GLU 207 N -0.22 4.36 0.22 1.61 2.02 -1.26 -4.44 118.70 121.00 1oii s GLU 207 Ca 0.00 2.18 -0.21 0.00 0.02 0.00 0.00 54.97 56.96 1oii s GLU 207 Cb 0.00 -3.10 -0.08 0.00 0.10 0.00 0.00 34.13 31.04 1oii s GLU 207 CO 0.00 -0.22 0.75 1.03 0.02 0.00 0.00 175.26 176.84 1oii s ARG 208 N -1.23 4.33 -0.00 1.61 0.52 -1.26 -1.38 118.95 121.55 1oii s ARG 208 Ca 0.52 0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 56.68 1oii s ARG 208 Cb -0.39 -2.93 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 1oii s ARG 208 CO 0.48 0.41 0.01 0.00 0.02 0.00 0.00 175.30 176.22 1oii s ALA 209 N -1.47 -0.02 0.24 2.13 0.00 -0.04 -4.37 121.76 118.24 1oii s ALA 209 Ca 0.42 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1oii s ALA 209 Cb -0.18 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1oii s ALA 209 CO 0.22 -0.05 1.29 -0.51 0.00 0.00 0.00 175.76 176.71 1oii s LEU 210 N -0.39 4.43 -0.49 0.00 1.43 -0.71 -0.70 118.68 122.26 1oii s LEU 210 Ca -0.04 2.47 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 1oii s LEU 210 Cb -0.03 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.70 1oii s LEU 210 CO -0.00 -0.49 0.25 -1.10 0.23 0.00 0.00 176.35 175.24 1oii s GLN 211 N -0.66 2.01 0.00 1.70 -0.21 0.60 -4.82 119.66 118.29 1oii s GLN 211 Ca 0.54 -2.36 0.00 0.00 0.02 0.00 0.00 55.36 53.56 1oii s GLN 211 Cb -0.37 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.22 1oii s GLN 211 CO 0.42 -1.08 0.00 1.28 -2.12 0.00 0.00 175.29 173.79 1oii n LEU 212 N 3.60 0.00 0.00 2.90 4.77 -1.26 -4.65 117.00 122.35 1oii n LEU 212 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1oii n LEU 212 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1oii n LEU 212 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1oii n GLY 213 N 0.48 -0.44 0.45 -0.72 0.00 -1.26 -4.49 105.19 99.21 1oii n GLY 213 Ca 0.00 -1.80 0.27 0.00 0.00 0.00 0.00 46.02 44.49 1oii n GLY 213 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1oii h HIS 214 N 0.00 0.17 0.00 1.61 2.76 -1.44 -1.68 115.15 116.58 1oii h HIS 214 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1oii h HIS 214 Cb 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1oii h HIS 214 CO 0.00 0.03 0.00 1.19 -1.30 0.00 0.00 177.93 177.85 1oii n PHE 215 N -4.34 0.00 -1.99 5.26 3.72 -1.26 -4.76 117.46 114.09 1oii n PHE 215 Ca 0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.18 1oii n PHE 215 Cb 0.93 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1oii n PHE 215 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1oii s VAL 216 N -3.00 3.44 -0.10 -4.37 1.01 -0.63 -0.68 120.40 116.07 1oii s VAL 216 Ca 0.13 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1oii s VAL 216 Cb 0.17 -3.42 -0.28 0.00 0.00 0.00 0.00 36.38 32.86 1oii s VAL 216 CO 0.48 -0.04 0.60 0.50 0.00 0.00 0.00 175.10 176.64 1oii h LYS 217 N 9.20 0.25 -2.22 2.72 3.64 -0.32 -3.47 116.57 126.37 1oii h LYS 217 Ca -0.40 -0.42 0.12 0.00 -1.27 0.00 0.00 60.65 58.67 1oii h LYS 217 Cb 1.19 0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 33.01 1oii h LYS 217 CO 0.94 1.20 0.52 -0.98 -2.27 0.00 0.00 179.45 178.86 1oii s ARG 218 N -2.47 0.78 -0.21 1.90 1.70 -1.20 -5.01 118.95 114.45 1oii s ARG 218 Ca -0.19 -0.28 -0.19 0.00 -0.47 0.00 0.00 55.73 54.59 1oii s ARG 218 Cb 0.04 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1oii s ARG 218 CO 0.77 -0.34 0.57 0.42 -1.08 0.00 0.00 175.30 175.64 1oii s ILE 219 N -3.06 5.06 0.25 4.99 -1.09 -1.26 -1.01 121.20 125.08 1oii s ILE 219 Ca 0.05 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 1oii s ILE 219 Cb -0.01 -3.89 -0.11 0.00 -1.58 0.00 0.00 42.46 36.88 1oii s ILE 219 CO -0.09 0.13 1.55 -0.54 -1.23 0.00 0.00 174.94 174.76 1oii s LYS 220 N 1.91 4.19 0.00 2.79 1.02 0.29 -3.15 119.74 126.78 1oii s LYS 220 Ca 0.26 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1oii s LYS 220 Cb -0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1oii s LYS 220 CO 0.10 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1oii n GLY 221 N 2.58 0.83 3.26 -3.33 0.00 -1.26 -4.66 105.19 102.62 1oii n GLY 221 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1oii n GLY 221 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oii s TYR 222 N -2.08 1.51 0.99 1.61 1.51 -1.19 -5.12 117.35 114.58 1oii s TYR 222 Ca 0.00 -0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 1oii s TYR 222 Cb 0.00 -0.79 0.19 0.00 -0.11 0.00 0.00 41.96 41.25 1oii s TYR 222 CO 0.00 0.18 1.09 -1.54 -1.11 0.00 0.00 175.55 174.18 1oii s SER 223 N -2.42 2.41 0.17 2.29 1.04 -1.26 -4.73 113.70 111.20 1oii s SER 223 Ca 0.10 1.79 -0.18 0.00 0.48 0.00 0.00 55.95 58.13 1oii s SER 223 Cb -0.06 -2.39 0.09 0.00 0.10 0.00 0.00 66.02 63.77 1oii s SER 223 CO 0.04 -3.35 1.66 0.25 0.98 0.00 0.00 173.24 172.81 1oii h LEU 224 N -2.04 -0.47 -0.28 2.42 5.85 -1.98 0.28 115.31 119.09 1oii h LEU 224 Ca -0.51 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1oii h LEU 224 Cb 1.29 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1oii h LEU 224 CO 0.48 -0.17 0.15 0.00 -0.34 0.00 0.00 178.44 178.56 1oii h ALA 225 N 1.30 0.36 -0.64 1.25 0.00 -1.99 -0.11 119.26 119.43 1oii h ALA 225 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1oii h ALA 225 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1oii h ALA 225 CO -0.43 -0.11 0.22 -0.44 0.00 0.00 0.00 179.25 178.49 1oii h ASP 226 N 0.33 0.92 -0.52 0.00 5.19 -1.86 -2.29 116.42 118.20 1oii h ASP 226 Ca 0.10 -0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1oii h ASP 226 Cb 0.07 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 1oii h ASP 226 CO -0.01 0.88 0.31 -1.28 -3.12 0.00 0.00 179.24 176.01 1oii h SER 227 N 0.92 0.51 -0.62 6.45 0.87 -0.68 -0.68 113.55 120.32 1oii h SER 227 Ca 0.21 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1oii h SER 227 Cb 0.27 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1oii h SER 227 CO -0.01 0.36 0.41 1.56 -0.53 0.00 0.00 176.83 178.62 1oii h GLN 228 N 0.62 0.82 -0.29 2.24 4.20 -0.74 -0.26 115.11 121.70 1oii h GLN 228 Ca 0.21 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1oii h GLN 228 Cb 0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1oii h GLN 228 CO -0.09 0.54 -0.06 0.45 -0.67 0.00 0.00 178.83 179.00 1oii h HIS 229 N 0.85 0.62 -0.38 2.96 3.86 -0.84 -0.78 115.15 121.42 1oii h HIS 229 Ca 0.23 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1oii h HIS 229 Cb -0.10 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1oii h HIS 229 CO -0.03 0.74 -0.02 -0.07 0.86 0.00 0.00 177.93 179.41 1oii h LEU 230 N 0.32 0.69 -0.21 2.43 3.38 -0.97 -0.85 115.31 120.09 1oii h LEU 230 Ca 0.07 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1oii h LEU 230 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1oii h LEU 230 CO 0.03 0.84 0.08 0.15 0.09 0.00 0.00 178.44 179.63 1oii h PHE 231 N 0.51 0.14 -0.72 1.13 3.57 -1.07 -2.00 116.94 118.50 1oii h PHE 231 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1oii h PHE 231 Cb 0.50 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1oii h PHE 231 CO 0.04 0.07 0.48 0.00 -2.23 0.00 0.00 178.31 176.67 1oii h ALA 232 N 1.12 1.49 0.21 2.41 0.00 -0.80 0.23 119.26 123.92 1oii h ALA 232 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1oii h ALA 232 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1oii h ALA 232 CO -0.09 0.48 -0.10 0.28 0.00 0.00 0.00 179.25 179.82 1oii h VAL 233 N 0.98 0.86 -0.10 0.00 2.07 -0.85 -1.01 116.25 118.19 1oii h VAL 233 Ca 0.27 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1oii h VAL 233 Cb -0.11 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1oii h VAL 233 CO -0.06 0.11 -0.25 -0.07 0.02 0.00 0.00 177.57 177.33 1oii h LEU 234 N -0.55 0.40 -1.84 2.57 3.38 -0.93 -2.57 115.31 115.78 1oii h LEU 234 Ca -0.03 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1oii h LEU 234 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1oii h LEU 234 CO 0.05 0.91 -0.10 -0.61 0.09 0.00 0.00 178.44 178.77 1oii h GLN 235 N -0.09 0.00 -0.01 1.13 5.75 -0.67 -1.95 115.11 119.29 1oii h GLN 235 Ca -0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1oii h GLN 235 Cb 0.85 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1oii h GLN 235 CO 0.05 0.10 -0.40 0.78 -2.65 0.00 0.00 178.83 176.71 1oii h GLY 236 N 0.34 0.01 1.83 2.39 0.00 -0.80 -2.46 103.07 104.38 1oii h GLY 236 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1oii h GLY 236 CO 0.01 0.01 -0.55 0.45 0.00 0.00 0.00 176.54 176.47 1oii h HIS 237 N 0.01 0.23 0.11 5.60 3.86 -1.00 -2.69 115.15 121.28 1oii h HIS 237 Ca -0.00 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1oii h HIS 237 Cb 0.72 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1oii h HIS 237 CO 0.00 0.69 -0.06 0.28 0.86 0.00 0.00 177.93 179.70 1oii h VAL 238 N 0.14 0.94 -0.18 2.45 2.07 -1.25 -3.27 116.25 117.16 1oii h VAL 238 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1oii h VAL 238 Cb 1.01 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1oii h VAL 238 CO 0.08 0.05 0.00 0.35 0.02 0.00 0.00 177.57 178.07 1oii n THR 239 N -5.11 0.22 -1.67 2.57 -2.24 -1.02 -4.52 114.28 102.51 1oii n THR 239 Ca -0.08 -0.41 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 1oii n THR 239 Cb 0.12 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1oii n THR 239 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1oii n ARG 240 N 0.57 2.03 -0.28 -0.78 0.63 -1.02 -4.84 116.66 112.97 1oii n ARG 240 Ca 0.17 0.72 0.08 0.00 -0.92 0.00 0.00 57.85 57.90 1oii n ARG 240 Cb 0.40 -2.38 0.30 0.00 0.45 0.00 0.00 32.46 31.23 1oii n ARG 240 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1oii h LEU 241 N 4.20 0.79 -2.84 6.15 3.38 -1.92 0.16 115.31 125.23 1oii h LEU 241 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1oii h LEU 241 Cb 1.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1oii h LEU 241 CO 0.76 0.45 0.03 -0.33 0.09 0.00 0.00 178.44 179.44 1oii h GLU 242 N 0.86 0.00 -0.70 1.13 3.07 -1.96 -1.18 114.58 115.81 1oii h GLU 242 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1oii h GLU 242 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1oii h GLU 242 CO -0.18 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.52 1oii n ASN 243 N -3.16 4.00 -4.35 1.42 3.02 0.56 -4.47 115.26 112.28 1oii n ASN 243 Ca -0.03 -2.10 -0.19 0.00 -0.03 0.00 0.00 54.58 52.23 1oii n ASN 243 Cb 0.10 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 1oii n ASN 243 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1oii s THR 244 N -1.24 1.78 0.01 3.41 -4.23 -0.45 -0.44 115.64 114.48 1oii s THR 244 Ca 0.48 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1oii s THR 244 Cb 0.26 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1oii s THR 244 CO 0.30 -0.56 -0.08 0.54 -0.54 0.00 0.00 174.62 174.29 1oii s VAL 245 N -2.85 0.58 -0.11 2.29 0.11 -0.35 -4.84 120.40 115.23 1oii s VAL 245 Ca 0.22 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1oii s VAL 245 Cb -0.02 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1oii s VAL 245 CO 0.07 0.06 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.12 1oii s ARG 246 N -0.45 3.11 -0.14 1.54 3.52 -1.26 -0.60 118.95 124.67 1oii s ARG 246 Ca 0.01 -0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1oii s ARG 246 Cb -0.04 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1oii s ARG 246 CO -0.00 0.26 -0.13 -0.46 -0.81 0.00 0.00 175.30 174.16 1oii s TRP 247 N 0.20 2.82 -0.31 5.12 -0.11 0.35 -4.98 118.94 122.03 1oii s TRP 247 Ca -0.11 -0.78 -0.21 0.00 1.22 0.00 0.00 56.10 56.22 1oii s TRP 247 Cb -0.16 -1.88 -0.01 0.00 -1.50 0.00 0.00 33.47 29.93 1oii s TRP 247 CO 0.06 -0.31 0.66 0.50 -4.62 0.00 0.00 176.95 173.23 1oii s ARG 248 N 0.58 3.89 0.25 5.86 3.52 -1.26 -2.17 118.95 129.61 1oii s ARG 248 Ca -0.08 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 1oii s ARG 248 Cb -0.16 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 1oii s ARG 248 CO 0.03 -0.60 0.96 -1.58 -0.81 0.00 0.00 175.30 173.30 1oii s TRP 249 N 2.68 3.93 0.07 5.12 0.52 -1.26 -5.07 118.94 124.92 1oii s TRP 249 Ca 0.26 1.89 0.10 0.00 0.02 0.00 0.00 56.10 58.37 1oii s TRP 249 Cb -0.15 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 1oii s TRP 249 CO 0.12 0.33 -0.26 -1.21 0.02 0.00 0.00 176.95 175.95 1oii s GLU 250 N -1.24 1.72 0.16 4.98 2.02 -1.26 -4.82 118.70 120.26 1oii s GLU 250 Ca 0.42 -1.17 -0.33 0.00 0.02 0.00 0.00 54.97 53.91 1oii s GLU 250 Cb -0.27 -1.98 -0.16 0.00 0.10 0.00 0.00 34.13 31.82 1oii s GLU 250 CO 0.33 0.50 1.12 0.00 0.02 0.00 0.00 175.26 177.22 1oii n ALA 251 N 1.49 -1.09 -0.12 5.21 0.00 -1.26 -0.97 120.51 123.78 1oii n ALA 251 Ca -0.17 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1oii n ALA 251 Cb 0.52 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1oii n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oii n GLY 252 N 1.96 1.27 3.76 0.00 0.00 -0.49 -4.67 105.19 107.02 1oii n GLY 252 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1oii n GLY 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oii s ASP 253 N -2.97 7.05 -0.05 1.61 1.01 -0.14 -0.86 116.67 122.32 1oii s ASP 253 Ca 0.00 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.73 1oii s ASP 253 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 1oii s ASP 253 CO 0.00 -0.33 -0.19 -0.69 0.21 0.00 0.00 175.17 174.17 1oii s VAL 254 N -0.92 1.58 0.03 -1.27 1.01 0.96 -1.32 120.40 120.47 1oii s VAL 254 Ca 0.48 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1oii s VAL 254 Cb -0.35 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1oii s VAL 254 CO 0.44 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.80 1oii s ALA 255 N 0.05 2.52 -0.07 5.51 0.00 0.34 -0.92 121.76 129.19 1oii s ALA 255 Ca -0.05 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1oii s ALA 255 Cb -0.13 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1oii s ALA 255 CO 0.03 0.56 -0.10 0.42 0.00 0.00 0.00 175.76 176.67 1oii s ILE 256 N -0.88 1.01 0.10 0.00 1.01 -0.22 -0.93 121.20 121.28 1oii s ILE 256 Ca 0.14 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1oii s ILE 256 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1oii s ILE 256 CO 0.04 0.33 -0.18 -1.66 0.00 0.00 0.00 174.94 173.48 1oii s TRP 257 N 0.88 1.56 -0.60 3.97 -2.14 -1.12 -0.60 118.94 120.90 1oii s TRP 257 Ca -0.11 -0.45 -0.23 0.00 2.66 0.00 0.00 56.10 57.97 1oii s TRP 257 Cb -0.15 -0.85 0.05 0.00 -3.10 0.00 0.00 33.47 29.42 1oii s TRP 257 CO 0.01 0.16 0.95 0.34 -2.66 0.00 0.00 176.95 175.75 1oii s ASP 258 N -1.94 6.26 0.06 -2.66 -1.08 0.11 -3.10 116.67 114.33 1oii s ASP 258 Ca 0.04 -0.63 0.18 0.00 -0.52 0.00 0.00 52.55 51.63 1oii s ASP 258 Cb -0.09 -2.43 0.77 0.00 -1.46 0.00 0.00 42.92 39.70 1oii s ASP 258 CO 0.04 -1.33 1.57 -3.20 0.52 0.00 0.00 175.17 172.77 1oii n ASN 259 N 7.60 0.17 0.23 -0.34 5.15 -0.10 -2.24 115.26 125.74 1oii n ASN 259 Ca -0.01 0.54 0.14 0.00 -0.60 0.00 0.00 54.58 54.65 1oii n ASN 259 Cb 0.47 -0.58 0.42 0.00 -0.53 0.00 0.00 39.78 39.55 1oii n ASN 259 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1oii h ARG 260 N 0.00 0.00 0.00 1.20 3.08 -1.80 -3.36 114.38 113.51 1oii h ARG 260 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1oii h ARG 260 Cb 0.32 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.09 1oii h ARG 260 CO 0.00 0.00 -0.87 0.00 -1.07 0.00 0.00 179.97 178.03 1oii n ALA 261 N -2.05 2.47 -2.63 0.04 0.00 -0.95 -4.85 120.51 112.54 1oii n ALA 261 Ca 0.03 -2.30 -0.10 0.00 0.00 0.00 0.00 53.44 51.07 1oii n ALA 261 Cb 0.41 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 1oii n ALA 261 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1oii s THR 262 N -0.48 0.03 0.30 0.00 -4.23 -1.14 -1.42 115.64 108.70 1oii s THR 262 Ca 0.30 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1oii s THR 262 Cb 0.33 -2.14 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 1oii s THR 262 CO -0.13 -0.16 0.01 -1.10 -0.54 0.00 0.00 174.62 172.71 1oii s GLN 263 N -4.04 1.57 0.17 3.99 -0.21 -0.88 -4.62 119.66 115.64 1oii s GLN 263 Ca 0.25 -1.84 -0.09 0.00 0.02 0.00 0.00 55.36 53.70 1oii s GLN 263 Cb 0.04 -0.92 -0.01 0.00 1.00 0.00 0.00 33.01 33.12 1oii s GLN 263 CO 0.06 -0.11 0.30 -3.38 -2.12 0.00 0.00 175.29 170.04 1oii s HIS 264 N -3.23 0.42 -0.15 0.91 -3.43 -0.35 -0.56 115.29 108.90 1oii s HIS 264 Ca 0.33 -0.78 -0.06 0.00 -0.80 0.00 0.00 55.06 53.75 1oii s HIS 264 Cb 0.07 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.24 1oii s HIS 264 CO 0.13 -0.75 0.33 -0.47 -2.00 0.00 0.00 174.74 171.99 1oii s TYR 265 N -3.98 -0.54 -0.29 0.38 6.14 -0.07 -2.10 117.35 116.88 1oii s TYR 265 Ca 0.19 1.15 -0.21 0.00 0.64 0.00 0.00 57.07 58.84 1oii s TYR 265 Cb 0.03 0.14 -0.01 0.00 0.42 0.00 0.00 41.96 42.54 1oii s TYR 265 CO 0.01 -0.36 0.66 0.00 0.64 0.00 0.00 175.55 176.50 1oii s ALA 266 N 2.02 3.55 -0.07 3.97 0.00 0.04 -1.05 121.76 130.21 1oii s ALA 266 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1oii s ALA 266 Cb -0.11 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1oii s ALA 266 CO -0.11 -1.04 1.29 0.08 0.00 0.00 0.00 175.76 175.99 1oii s VAL 267 N 2.65 4.09 -1.06 0.00 1.01 0.27 -3.26 120.40 124.11 1oii s VAL 267 Ca 0.27 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 1oii s VAL 267 Cb -0.15 -3.90 0.31 0.00 0.00 0.00 0.00 36.38 32.64 1oii s VAL 267 CO 0.11 -0.05 1.54 -0.67 0.00 0.00 0.00 175.10 176.04 1oii n ASP 268 N 5.78 6.58 -0.06 3.32 2.03 -1.26 -4.17 116.55 128.76 1oii n ASP 268 Ca 0.13 -3.48 0.06 0.00 0.52 0.00 0.00 54.79 52.01 1oii n ASP 268 Cb 0.45 -1.23 0.08 0.00 -0.72 0.00 0.00 41.12 39.70 1oii n ASP 268 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1oii n ASP 269 N 0.98 2.04 -0.54 1.67 5.75 -1.26 -4.78 116.55 120.41 1oii n ASP 269 Ca 0.31 -2.59 0.06 0.00 -0.01 0.00 0.00 54.79 52.56 1oii n ASP 269 Cb 0.32 -0.25 0.08 0.00 -1.03 0.00 0.00 41.12 40.23 1oii n ASP 269 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oii n TYR 270 N -0.99 0.12 0.00 2.11 0.18 -1.26 -4.76 117.16 112.55 1oii n TYR 270 Ca 0.09 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1oii n TYR 270 Cb 0.50 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1oii n TYR 270 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1oii n GLY 271 N 0.67 2.49 0.94 -7.48 0.00 -1.26 -2.10 105.19 98.45 1oii n GLY 271 Ca 0.08 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1oii n GLY 271 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oii n THR 272 N 0.00 0.30 -1.67 2.61 -2.24 -1.26 -4.91 114.28 107.11 1oii n THR 272 Ca 0.00 -0.57 -0.48 0.00 -2.27 0.00 0.00 64.05 60.72 1oii n THR 272 Cb 0.00 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1oii n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oii n GLN 273 N 1.13 1.98 -1.97 -0.78 6.02 -0.89 -4.91 117.38 117.95 1oii n GLN 273 Ca 0.18 0.72 -0.39 0.00 -0.01 0.00 0.00 57.00 57.49 1oii n GLN 273 Cb 0.53 -2.49 0.01 0.00 1.02 0.00 0.00 30.24 29.30 1oii n GLN 273 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1oii s PRO 274 N 2.10 3.78 -0.10 -1.09 0.02 -1.26 -4.88 135.00 133.57 1oii s PRO 274 Ca 0.85 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 64.04 1oii s PRO 274 Cb -0.74 -2.64 0.05 0.00 0.02 0.00 0.00 34.50 31.19 1oii s PRO 274 CO 0.45 -0.67 0.16 0.50 -0.33 0.00 0.00 177.00 177.11 1oii s ARG 275 N -2.41 0.04 -0.08 5.54 3.52 -1.26 -3.64 118.95 120.67 1oii s ARG 275 Ca 0.60 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.69 1oii s ARG 275 Cb -0.39 -0.47 0.02 0.00 -1.56 0.00 0.00 34.95 32.55 1oii s ARG 275 CO 0.50 -0.37 -0.08 0.42 -0.81 0.00 0.00 175.30 174.96 1oii s ILE 276 N 2.28 0.93 0.10 4.11 1.01 -0.16 -4.24 121.20 125.22 1oii s ILE 276 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.44 1oii s ILE 276 Cb -0.13 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1oii s ILE 276 CO -0.06 0.33 -0.15 0.68 0.00 0.00 0.00 174.94 175.74 1oii s VAL 277 N 1.19 1.26 -0.06 2.92 -7.23 -0.68 -0.32 120.40 117.48 1oii s VAL 277 Ca -0.05 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1oii s VAL 277 Cb -0.14 -1.31 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 1oii s VAL 277 CO -0.02 -0.29 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.17 1oii s ARG 278 N -2.15 2.02 -0.05 4.82 0.52 0.24 -1.12 118.95 123.22 1oii s ARG 278 Ca 0.03 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1oii s ARG 278 Cb -0.08 -1.69 -0.00 0.00 0.52 0.00 0.00 34.95 33.70 1oii s ARG 278 CO 0.03 0.21 -0.19 0.50 0.02 0.00 0.00 175.30 175.87 1oii s ARG 279 N 0.17 2.06 -0.13 3.54 3.52 0.61 -0.61 118.95 128.12 1oii s ARG 279 Ca -0.08 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1oii s ARG 279 Cb -0.13 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1oii s ARG 279 CO 0.04 0.24 -0.10 0.08 -0.81 0.00 0.00 175.30 174.74 1oii s VAL 280 N 0.10 3.32 -0.11 7.11 1.01 -0.18 -0.89 120.40 130.77 1oii s VAL 280 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1oii s VAL 280 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1oii s VAL 280 CO 0.03 0.53 -0.00 -0.89 0.00 0.00 0.00 175.10 174.77 1oii s THR 281 N 0.20 4.27 -0.14 3.92 2.01 -1.26 -0.13 115.64 124.52 1oii s THR 281 Ca -0.06 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 1oii s THR 281 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1oii s THR 281 CO 0.04 0.57 0.04 -0.76 -0.69 0.00 0.00 174.62 173.83 1oii s LEU 282 N -0.56 3.75 0.26 4.42 1.43 -0.15 -0.98 118.68 126.85 1oii s LEU 282 Ca 0.09 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.01 1oii s LEU 282 Cb -0.12 -1.91 -0.13 0.00 0.03 0.00 0.00 46.19 44.06 1oii s LEU 282 CO 0.02 0.27 1.43 0.00 0.23 0.00 0.00 176.35 178.30 1oii n ALA 283 N 2.91 1.35 -2.54 4.21 0.00 0.63 -1.36 120.51 125.72 1oii n ALA 283 Ca -0.18 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1oii n ALA 283 Cb 0.53 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1oii n ALA 283 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1oii s GLY 284 N 0.28 2.63 0.43 0.00 0.00 -1.20 -4.12 107.32 105.34 1oii s GLY 284 Ca 0.67 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1oii s GLY 284 CO 0.50 -2.04 0.61 -0.54 0.00 0.00 0.00 173.10 171.63 1oii s GLU 285 N -4.13 2.89 0.03 2.90 8.01 -1.26 -4.66 118.70 122.48 1oii s GLU 285 Ca 0.23 -0.93 -0.30 0.00 0.01 0.00 0.00 54.97 53.98 1oii s GLU 285 Cb -0.01 -2.68 -0.06 0.00 -4.31 0.00 0.00 34.13 27.07 1oii s GLU 285 CO 0.14 -0.27 1.36 0.08 0.01 0.00 0.00 175.26 176.57 1oii s VAL 286 N -2.43 3.70 0.43 2.63 1.01 -1.26 -4.17 120.40 120.31 1oii s VAL 286 Ca 0.51 1.14 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 1oii s VAL 286 Cb -0.10 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1oii s VAL 286 CO 0.35 0.03 1.31 -2.65 0.00 0.00 0.00 175.10 174.14 1oii n PRO 287 N 4.83 2.00 -4.57 2.72 -0.02 -1.26 -4.89 135.00 133.82 1oii n PRO 287 Ca 0.12 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 1oii n PRO 287 Cb 0.44 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1oii n PRO 287 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oii s VAL 288 N -1.20 3.02 0.89 -1.45 1.01 -1.26 -2.82 120.40 118.59 1oii s VAL 288 Ca 0.61 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 1oii s VAL 288 Cb -0.49 -2.29 0.13 0.00 0.00 0.00 0.00 36.38 33.73 1oii s VAL 288 CO 0.58 0.51 1.22 -0.83 0.00 0.00 0.00 175.10 176.57 1oii s GLY 289 N 0.63 1.65 0.45 4.51 0.00 0.99 -0.93 107.32 114.62 1oii s GLY 289 Ca -0.07 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 43.95 1oii s GLY 289 CO 0.03 -0.21 2.08 -2.08 0.00 0.00 0.00 173.10 172.91 1oii h VAL 290 N -1.36 1.04 -0.39 1.40 2.07 -1.84 -1.04 116.25 116.13 1oii h VAL 290 Ca -0.46 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1oii h VAL 290 Cb 1.30 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1oii h VAL 290 CO 0.56 0.06 0.00 -0.90 0.02 0.00 0.00 177.57 177.31 1oii n ASP 291 N -4.49 2.20 0.00 0.57 5.75 -1.26 -4.92 116.55 114.39 1oii n ASP 291 Ca 0.02 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1oii n ASP 291 Cb 0.12 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1oii n ASP 291 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oii n GLY 292 N 1.07 0.92 3.80 6.12 0.00 -0.39 -5.03 105.19 111.67 1oii n GLY 292 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1oii n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oii s GLN 293 N -0.24 3.29 0.07 1.61 -0.21 -1.26 -4.70 119.66 118.22 1oii s GLN 293 Ca 0.00 1.26 0.05 0.00 0.02 0.00 0.00 55.36 56.69 1oii s GLN 293 Cb 0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 1oii s GLN 293 CO 0.00 -0.84 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.77 1oii s LEU 294 N -4.43 3.23 0.88 2.90 1.43 -1.26 -0.01 118.68 121.43 1oii s LEU 294 Ca 0.65 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1oii s LEU 294 Cb -0.17 -1.95 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1oii s LEU 294 CO 0.36 0.21 1.15 -0.44 0.23 0.00 0.00 176.35 177.86 1oii s SER 295 N -1.99 3.14 -0.17 2.29 0.01 -1.13 -4.94 113.70 110.92 1oii s SER 295 Ca 0.22 2.20 -0.14 0.00 1.31 0.00 0.00 55.95 59.54 1oii s SER 295 Cb -0.11 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.60 1oii s SER 295 CO 0.13 -2.96 0.43 0.00 0.41 0.00 0.00 173.24 171.26 1oii s ARG 296 N -4.57 0.48 0.18 12.44 1.70 -0.60 -4.94 118.95 123.63 1oii s ARG 296 Ca 0.67 0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 56.30 1oii s ARG 296 Cb -0.23 0.18 -0.08 0.00 -0.57 0.00 0.00 34.95 34.24 1oii s ARG 296 CO 0.56 -0.09 1.14 0.99 -1.08 0.00 0.00 175.30 176.82 1oii s THR 297 N 0.56 3.76 -0.19 4.99 2.01 -1.26 -1.00 115.64 124.50 1oii s THR 297 Ca -0.03 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.52 1oii s THR 297 Cb -0.04 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1oii s THR 297 CO -0.03 0.25 0.18 0.35 -0.69 0.00 0.00 174.62 174.68 1oii n THR 298 N 2.42 0.00 -3.88 -0.82 -2.24 0.17 -4.93 114.28 104.99 1oii n THR 298 Ca 0.03 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1oii n THR 298 Cb 0.46 0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 1oii n THR 298 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1oii s ARG 299 N -1.46 0.27 0.00 -0.78 1.81 -1.12 -4.97 118.95 112.70 1oii s ARG 299 Ca 0.01 -0.21 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 1oii s ARG 299 Cb 0.03 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1oii s ARG 299 CO 0.18 -0.05 0.00 0.36 -0.68 0.00 0.00 175.30 175.10