#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owa n GLU 2 N 0.00 0.02 -2.63 0.03 1.02 -1.26 -4.83 120.64 112.99 1owa n GLU 2 Ca 0.00 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 1owa n GLU 2 Cb 0.00 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 1owa n GLU 2 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1owa s GLN 3 N -3.01 4.59 -0.31 3.49 -0.21 -1.26 -5.01 119.66 117.94 1owa s GLN 3 Ca 0.14 1.56 -0.24 0.00 0.02 0.00 0.00 55.36 56.84 1owa s GLN 3 Cb 0.19 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 31.20 1owa s GLN 3 CO 0.53 0.24 0.82 0.12 -2.12 0.00 0.00 175.29 174.88 1owa s PHE 4 N -1.36 3.19 0.22 0.91 2.19 -1.26 -5.02 117.98 116.84 1owa s PHE 4 Ca 0.47 0.84 -0.30 0.00 0.33 0.00 0.00 56.93 58.27 1owa s PHE 4 Cb -0.26 -3.27 -0.10 0.00 -1.31 0.00 0.00 43.02 38.08 1owa s PHE 4 CO 0.32 -0.59 1.47 -2.14 1.83 0.00 0.00 175.22 176.11 1owa s PRO 5 N 3.03 4.26 0.14 10.12 0.02 -1.26 -4.93 135.00 146.38 1owa s PRO 5 Ca 0.34 2.30 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 1owa s PRO 5 Cb -0.14 -3.13 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 1owa s PRO 5 CO 0.13 -0.47 1.46 0.87 -0.33 0.00 0.00 177.00 178.65 1owa h LYS 6 N 5.64 0.93 -5.12 5.54 1.57 -2.07 -3.42 116.57 119.64 1owa h LYS 6 Ca -0.45 -0.52 -0.63 0.00 -1.87 0.00 0.00 60.65 57.19 1owa h LYS 6 Cb 1.21 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 33.38 1owa h LYS 6 CO 0.82 1.17 -0.56 -1.21 -0.57 0.00 0.00 179.45 179.10 1owa s GLU 7 N -4.33 3.91 -0.03 3.15 2.02 -1.26 -5.08 118.70 117.09 1owa s GLU 7 Ca -0.11 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1owa s GLU 7 Cb 0.11 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 1owa s GLU 7 CO 0.89 0.08 0.98 -0.08 0.02 0.00 0.00 175.26 177.14 1owa s THR 8 N 0.94 4.85 -0.30 3.63 -1.32 -1.26 -5.01 115.64 117.16 1owa s THR 8 Ca 0.05 2.05 -0.21 0.00 -1.21 0.00 0.00 61.69 62.36 1owa s THR 8 Cb -0.14 -4.31 -0.01 0.00 -1.51 0.00 0.00 72.50 66.53 1owa s THR 8 CO 0.03 0.12 0.69 0.68 -2.21 0.00 0.00 174.62 173.93 1owa s VAL 9 N 1.26 4.88 -0.12 5.08 -7.23 -1.26 -5.03 120.40 117.97 1owa s VAL 9 Ca 0.51 0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 61.41 1owa s VAL 9 Cb -0.20 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 1owa s VAL 9 CO 0.25 -0.18 0.83 -0.69 -0.31 0.00 0.00 175.10 175.00 1owa s VAL 10 N 2.74 4.91 -0.00 1.32 1.01 -1.26 -5.03 120.40 124.09 1owa s VAL 10 Ca 0.28 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1owa s VAL 10 Cb -0.15 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1owa s VAL 10 CO 0.12 0.10 1.04 -0.70 0.00 0.00 0.00 175.10 175.65 1owa s GLU 11 N 1.68 4.51 -0.30 2.72 2.12 -1.26 -5.02 118.70 123.15 1owa s GLU 11 Ca 0.40 1.50 -0.11 0.00 0.36 0.00 0.00 54.97 57.12 1owa s GLU 11 Cb -0.17 -3.45 0.13 0.00 0.26 0.00 0.00 34.13 30.89 1owa s GLU 11 CO 0.16 -0.14 0.69 -1.12 -0.54 0.00 0.00 175.26 174.30 1owa s SER 12 N 1.05 -1.08 0.00 -1.70 0.01 -1.26 -5.01 113.70 105.71 1owa s SER 12 Ca 0.53 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.29 1owa s SER 12 Cb -0.23 2.18 0.00 0.00 0.21 0.00 0.00 66.02 68.19 1owa s SER 12 CO 0.27 -0.21 0.05 -1.54 0.41 0.00 0.00 173.24 172.22 1owa n SER 13 N 5.32 0.00 0.00 2.44 3.41 -1.26 -5.06 113.62 118.48 1owa n SER 13 Ca -0.12 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1owa n SER 13 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1owa n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1owa n GLY 14 N 0.00 0.80 3.49 5.00 0.00 -1.26 -4.99 105.19 108.24 1owa n GLY 14 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1owa n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1owa n PRO 15 N -0.02 0.20 -2.56 1.61 -0.02 -1.26 -4.94 135.00 128.00 1owa n PRO 15 Ca 0.00 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 1owa n PRO 15 Cb 0.00 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1owa n PRO 15 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1owa s LYS 16 N -3.13 4.41 0.13 -0.52 1.02 -1.26 -5.01 119.74 115.38 1owa s LYS 16 Ca 0.65 1.58 -0.30 0.00 0.02 0.00 0.00 55.97 57.92 1owa s LYS 16 Cb -0.31 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1owa s LYS 16 CO 0.58 0.06 1.12 0.14 -0.92 0.00 0.00 175.35 176.34 1owa s VAL 17 N -1.47 3.98 -0.14 3.17 -7.23 -1.26 -4.99 120.40 112.46 1owa s VAL 17 Ca 0.52 1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 61.98 1owa s VAL 17 Cb -0.25 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 1owa s VAL 17 CO 0.32 0.22 1.23 -0.22 -0.31 0.00 0.00 175.10 176.33 1owa s LEU 18 N 0.14 4.20 -0.24 1.32 2.96 -1.26 -5.00 118.68 120.80 1owa s LEU 18 Ca 0.52 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 56.16 1owa s LEU 18 Cb -0.29 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 42.91 1owa s LEU 18 CO 0.33 -0.70 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.95 1owa s GLU 19 N 3.09 2.10 0.57 1.98 2.02 -1.26 -5.04 118.70 122.16 1owa s GLU 19 Ca 0.54 -1.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.22 1owa s GLU 19 Cb -0.22 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 1owa s GLU 19 CO 0.16 -0.55 0.99 0.99 0.02 0.00 0.00 175.26 176.87 1owa s THR 20 N 1.21 4.67 0.09 3.63 2.01 -1.26 -4.81 115.64 121.17 1owa s THR 20 Ca -0.07 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 62.65 1owa s THR 20 Cb -0.19 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1owa s THR 20 CO -0.06 -0.96 1.63 0.00 -0.69 0.00 0.00 174.62 174.54 1owa h ALA 21 N 0.16 0.20 -0.28 7.40 0.00 -1.99 1.87 119.26 126.63 1owa h ALA 21 Ca -0.45 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1owa h ALA 21 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1owa h ALA 21 CO 0.62 -0.21 -0.47 0.93 0.00 0.00 0.00 179.25 180.12 1owa h GLU 22 N 0.10 0.81 -0.16 0.00 5.08 -1.96 1.27 114.58 119.72 1owa h GLU 22 Ca 0.05 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1owa h GLU 22 Cb 0.16 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1owa h GLU 22 CO -0.00 1.13 0.10 1.49 -1.00 0.00 0.00 179.01 180.72 1owa h GLU 23 N 0.57 0.22 -0.27 2.33 4.81 -1.86 0.97 114.58 121.36 1owa h GLU 23 Ca 0.02 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1owa h GLU 23 Cb 1.07 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1owa h GLU 23 CO 0.11 0.19 -0.25 0.82 -0.73 0.00 0.00 179.01 179.14 1owa h ILE 24 N 0.19 1.31 -0.82 2.32 2.04 0.30 -2.50 117.51 120.34 1owa h ILE 24 Ca 0.06 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.52 1owa h ILE 24 Cb 0.02 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1owa h ILE 24 CO -0.01 0.45 0.55 -0.61 0.00 0.00 0.00 178.15 178.52 1owa h GLN 25 N 0.36 1.08 -0.16 2.37 4.15 0.19 1.22 115.11 124.33 1owa h GLN 25 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1owa h GLN 25 Cb 0.81 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1owa h GLN 25 CO 0.06 0.72 0.10 1.49 -1.93 0.00 0.00 178.83 179.27 1owa h GLU 26 N 1.12 0.21 -0.44 1.69 4.81 0.10 0.21 114.58 122.29 1owa h GLU 26 Ca 0.30 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1owa h GLU 26 Cb -0.13 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1owa h GLU 26 CO -0.07 0.16 0.00 0.00 -0.73 0.00 0.00 179.01 178.38 1owa h ARG 27 N 0.20 0.71 -0.85 1.92 3.08 -1.00 -2.55 114.38 115.90 1owa h ARG 27 Ca 0.06 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1owa h ARG 27 Cb -0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1owa h ARG 27 CO -0.01 0.73 0.56 -0.09 -1.07 0.00 0.00 179.97 180.08 1owa h ARG 28 N 0.67 1.12 -0.37 0.04 2.43 0.27 0.17 114.38 118.71 1owa h ARG 28 Ca 0.14 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1owa h ARG 28 Cb 0.41 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1owa h ARG 28 CO 0.02 0.75 0.20 0.37 -1.51 0.00 0.00 179.97 179.79 1owa h GLN 29 N 1.15 0.53 -0.22 0.20 4.15 -0.22 -1.73 115.11 118.97 1owa h GLN 29 Ca 0.31 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 1owa h GLN 29 Cb -0.12 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 1owa h GLN 29 CO -0.07 0.44 -0.19 0.93 -1.93 0.00 0.00 178.83 178.02 1owa h GLU 30 N 0.47 0.52 -0.63 1.69 5.08 -1.25 -3.00 114.58 117.47 1owa h GLU 30 Ca 0.13 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1owa h GLU 30 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1owa h GLU 30 CO -0.02 0.84 0.41 -0.39 -1.00 0.00 0.00 179.01 178.85 1owa h VAL 31 N 0.22 1.15 -0.54 3.13 -1.51 -0.61 0.43 116.25 118.52 1owa h VAL 31 Ca 0.04 -0.29 0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1owa h VAL 31 Cb 0.72 0.24 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 1owa h VAL 31 CO 0.05 0.15 0.36 -0.07 -1.23 0.00 0.00 177.57 176.83 1owa h LEU 32 N 0.84 0.62 -0.37 4.19 3.38 -1.34 0.12 115.31 122.75 1owa h LEU 32 Ca 0.23 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1owa h LEU 32 Cb -0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1owa h LEU 32 CO -0.05 0.45 -0.41 0.71 0.09 0.00 0.00 178.44 179.22 1owa h THR 33 N 0.73 1.27 -0.63 0.22 1.35 -1.35 -2.92 112.91 111.59 1owa h THR 33 Ca 0.20 -1.59 -0.09 0.00 -0.55 0.00 0.00 66.41 64.38 1owa h THR 33 Cb -0.08 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1owa h THR 33 CO -0.04 0.53 0.05 0.03 -0.25 0.00 0.00 175.52 175.84 1owa h ARG 34 N 0.75 1.07 -0.49 4.72 3.08 -0.67 -2.75 114.38 120.10 1owa h ARG 34 Ca 0.05 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.80 1owa h ARG 34 Cb 1.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1owa h ARG 34 CO 0.10 1.02 0.31 -0.92 -1.07 0.00 0.00 179.97 179.42 1owa h TYR 35 N 0.98 0.59 -0.72 3.04 5.03 -0.72 -1.99 116.97 123.19 1owa h TYR 35 Ca 0.18 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 1owa h TYR 35 Cb 0.50 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 1owa h TYR 35 CO 0.04 0.37 0.42 1.96 -1.32 0.00 0.00 178.16 179.62 1owa h GLN 36 N 0.64 0.99 -0.91 1.82 4.20 -1.41 -0.10 115.11 120.34 1owa h GLN 36 Ca 0.18 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1owa h GLN 36 Cb -0.05 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 1owa h GLN 36 CO -0.05 0.72 0.51 0.77 -0.67 0.00 0.00 178.83 180.11 1owa h SER 37 N 0.99 1.14 -0.22 1.46 0.02 -1.16 0.96 113.55 116.73 1owa h SER 37 Ca 0.26 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1owa h SER 37 Cb 0.00 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1owa h SER 37 CO -0.04 0.90 -0.08 -0.26 -1.14 0.00 0.00 176.83 176.21 1owa h PHE 38 N 1.28 0.51 -1.01 3.45 0.04 -1.02 -1.08 116.94 119.10 1owa h PHE 38 Ca 0.32 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.98 1owa h PHE 38 Cb 0.01 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 1owa h PHE 38 CO 0.01 0.71 0.67 -0.22 -0.60 0.00 0.00 178.31 178.87 1owa h LYS 39 N 0.17 1.33 -0.61 1.51 3.64 -0.58 -0.94 116.57 121.08 1owa h LYS 39 Ca 0.05 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1owa h LYS 39 Cb 0.56 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1owa h LYS 39 CO 0.03 0.88 0.40 0.93 -2.27 0.00 0.00 179.45 179.42 1owa h GLU 40 N 1.37 0.79 -0.62 1.90 5.08 0.13 -0.27 114.58 122.96 1owa h GLU 40 Ca 0.37 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1owa h GLU 40 Cb -0.16 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.89 1owa h GLU 40 CO -0.08 0.52 0.02 0.00 -1.00 0.00 0.00 179.01 178.47 1owa h ARG 41 N 0.82 1.09 -0.42 2.33 3.08 -0.47 -2.59 114.38 118.22 1owa h ARG 41 Ca 0.23 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1owa h ARG 41 Cb -0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1owa h ARG 41 CO -0.06 1.05 -0.09 0.28 -1.07 0.00 0.00 179.97 180.08 1owa h VAL 42 N 1.00 1.27 -0.19 2.04 2.07 -0.83 -2.45 116.25 119.16 1owa h VAL 42 Ca 0.18 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1owa h VAL 42 Cb 0.55 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1owa h VAL 42 CO 0.03 0.40 0.12 0.00 0.02 0.00 0.00 177.57 178.14 1owa h ALA 43 N 0.86 0.25 -0.50 1.67 0.00 -0.99 -1.58 119.26 118.97 1owa h ALA 43 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1owa h ALA 43 Cb 0.62 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1owa h ALA 43 CO 0.04 -0.25 0.33 0.93 0.00 0.00 0.00 179.25 180.30 1owa h GLU 44 N 0.24 0.65 -0.97 0.00 5.08 -1.45 -2.52 114.58 115.62 1owa h GLU 44 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1owa h GLU 44 Cb 0.01 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1owa h GLU 44 CO -0.01 0.43 0.62 -0.09 -1.00 0.00 0.00 179.01 178.96 1owa h ARG 45 N 0.67 1.29 -1.61 2.33 2.43 -1.24 -3.49 114.38 114.76 1owa h ARG 45 Ca 0.18 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1owa h ARG 45 Cb -0.08 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.19 1owa h ARG 45 CO -0.04 0.87 -0.40 0.41 -1.51 0.00 0.00 179.97 179.30 1owa n GLY 46 N -1.34 -3.64 3.62 2.80 0.00 -0.61 -4.80 105.19 101.21 1owa n GLY 46 Ca 0.11 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1owa n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1owa s GLN 47 N -4.95 3.85 0.02 1.61 -0.21 -1.26 -5.01 119.66 113.71 1owa s GLN 47 Ca 0.00 0.84 -0.20 0.00 0.02 0.00 0.00 55.36 56.02 1owa s GLN 47 Cb 0.00 -3.86 -0.06 0.00 1.00 0.00 0.00 33.01 30.10 1owa s GLN 47 CO 0.00 -1.21 0.57 0.21 -2.12 0.00 0.00 175.29 172.74 1owa s LYS 48 N 4.19 4.25 0.25 2.91 2.20 -1.26 -4.85 119.74 127.43 1owa s LYS 48 Ca 0.49 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1owa s LYS 48 Cb -0.10 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1owa s LYS 48 CO 0.25 0.48 0.00 1.28 -0.36 0.00 0.00 175.35 177.00 1owa n LEU 49 N 2.33 -2.21 -0.23 5.43 4.77 -1.26 -4.96 117.00 120.87 1owa n LEU 49 Ca -0.09 0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1owa n LEU 49 Cb 0.51 2.28 0.04 0.00 -2.33 0.00 0.00 43.42 43.91 1owa n LEU 49 CO 0.42 -0.04 0.87 -0.33 -1.33 0.00 0.00 177.39 176.97 1owa h GLU 50 N 0.00 1.10 -3.92 3.23 5.08 -2.05 -3.49 114.58 114.53 1owa h GLU 50 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1owa h GLU 50 Cb 0.00 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1owa h GLU 50 CO 0.00 1.03 -0.79 -0.25 -1.00 0.00 0.00 179.01 178.00 1owa n ASP 51 N -4.19 -2.19 -4.77 1.42 8.00 -1.26 -4.97 116.55 108.59 1owa n ASP 51 Ca 0.04 0.78 -0.36 0.00 0.71 0.00 0.00 54.79 55.96 1owa n ASP 51 Cb 0.32 -3.28 -0.00 0.00 -0.02 0.00 0.00 41.12 38.13 1owa n ASP 51 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1owa s SER 52 N -0.35 5.94 0.50 -2.24 1.04 -1.26 -4.92 113.70 112.41 1owa s SER 52 Ca -0.12 2.23 0.32 0.00 0.48 0.00 0.00 55.95 58.86 1owa s SER 52 Cb 0.01 -2.59 1.33 0.00 0.10 0.00 0.00 66.02 64.87 1owa s SER 52 CO 0.33 -1.07 1.95 1.88 0.98 0.00 0.00 173.24 177.30 1owa h TYR 53 N 1.59 0.00 -0.93 5.02 0.05 -2.00 -3.15 116.97 117.55 1owa h TYR 53 Ca -0.50 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.39 1owa h TYR 53 Cb 1.25 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.92 1owa h TYR 53 CO 0.52 0.00 0.60 0.45 -1.05 0.00 0.00 178.16 178.68 1owa h HIS 54 N 0.00 1.01 -0.68 4.88 3.86 -1.97 0.83 115.15 123.08 1owa h HIS 54 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1owa h HIS 54 Cb 0.47 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1owa h HIS 54 CO 0.00 0.44 0.43 -0.07 0.86 0.00 0.00 177.93 179.59 1owa h LEU 55 N 0.91 0.80 -0.82 2.43 4.07 -1.95 0.85 115.31 121.59 1owa h LEU 55 Ca 0.44 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 58.25 1owa h LEU 55 Cb 0.45 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1owa h LEU 55 CO -0.20 0.60 -0.29 1.56 -1.08 0.00 0.00 178.44 179.02 1owa h GLN 56 N 0.92 0.55 -0.27 1.13 4.20 -1.13 0.10 115.11 120.62 1owa h GLN 56 Ca 0.25 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1owa h GLN 56 Cb -0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1owa h GLN 56 CO -0.05 0.78 0.15 0.28 -0.67 0.00 0.00 178.83 179.32 1owa h VAL 57 N 0.47 1.12 -1.01 -0.54 2.07 0.26 1.26 116.25 119.88 1owa h VAL 57 Ca 0.06 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1owa h VAL 57 Cb 0.75 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1owa h VAL 57 CO 0.06 0.12 0.67 0.15 0.02 0.00 0.00 177.57 178.58 1owa h PHE 58 N 0.32 1.26 -0.84 1.57 3.57 0.93 0.35 116.94 124.11 1owa h PHE 58 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1owa h PHE 58 Cb 0.05 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1owa h PHE 58 CO -0.04 0.79 0.38 0.87 -2.23 0.00 0.00 178.31 178.09 1owa h LYS 59 N 1.36 1.22 -0.79 1.11 1.57 0.73 -2.54 116.57 119.22 1owa h LYS 59 Ca 0.37 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1owa h LYS 59 Cb -0.15 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.91 1owa h LYS 59 CO -0.08 0.95 0.47 -0.09 -0.57 0.00 0.00 179.45 180.13 1owa h ARG 60 N 1.20 1.08 -0.88 3.15 2.43 0.35 -2.25 114.38 119.46 1owa h ARG 60 Ca 0.28 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1owa h ARG 60 Cb 0.15 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1owa h ARG 60 CO -0.03 0.77 0.59 0.22 -1.51 0.00 0.00 179.97 180.00 1owa h ASP 61 N 1.09 1.01 -1.01 -3.80 1.82 -0.77 -1.72 116.42 113.04 1owa h ASP 61 Ca 0.28 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1owa h ASP 61 Cb -0.03 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 39.68 1owa h ASP 61 CO -0.05 0.73 0.67 0.00 -1.61 0.00 0.00 179.24 178.98 1owa h ALA 62 N 1.45 1.28 -0.31 -0.78 0.00 -1.11 1.08 119.26 120.86 1owa h ALA 62 Ca 0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1owa h ALA 62 Cb -0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.24 1owa h ALA 62 CO -0.07 0.67 -0.05 -0.44 0.00 0.00 0.00 179.25 179.36 1owa h ASP 63 N 1.37 0.59 -0.75 0.00 3.32 -1.17 0.14 116.42 119.92 1owa h ASP 63 Ca 0.37 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1owa h ASP 63 Cb -0.16 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 1owa h ASP 63 CO -0.08 0.79 0.41 0.44 -1.72 0.00 0.00 179.24 179.09 1owa h ASP 64 N 0.37 0.94 -0.09 6.45 3.32 -0.70 0.44 116.42 127.15 1owa h ASP 64 Ca 0.08 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1owa h ASP 64 Cb 0.52 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1owa h ASP 64 CO 0.03 0.76 0.06 0.25 -1.72 0.00 0.00 179.24 178.62 1owa h LEU 65 N 1.06 0.11 -1.37 1.55 7.12 0.18 0.13 115.31 124.09 1owa h LEU 65 Ca 0.27 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.23 1owa h LEU 65 Cb 0.03 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1owa h LEU 65 CO -0.04 0.09 -0.02 1.23 -0.13 0.00 0.00 178.44 179.56 1owa h GLY 66 N 0.12 0.42 1.00 3.75 0.00 -0.01 -2.05 103.07 106.31 1owa h GLY 66 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1owa h GLY 66 CO -0.01 0.22 0.58 1.70 0.00 0.00 0.00 176.54 179.04 1owa h LYS 67 N 0.38 1.15 -0.95 4.80 3.64 0.13 -2.23 116.57 123.49 1owa h LYS 67 Ca 0.08 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1owa h LYS 67 Cb 0.29 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1owa h LYS 67 CO 0.01 0.76 0.63 2.35 -2.27 0.00 0.00 179.45 180.93 1owa h TRP 68 N 1.19 1.20 -0.69 1.91 7.01 -0.29 -2.44 115.95 123.84 1owa h TRP 68 Ca 0.32 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 1owa h TRP 68 Cb -0.13 -0.41 -0.03 0.00 -2.10 0.00 0.00 29.16 26.49 1owa h TRP 68 CO -0.01 0.76 0.26 0.82 -2.79 0.00 0.00 178.44 177.48 1owa h ILE 69 N 1.30 1.25 -0.83 2.65 2.04 -1.29 -2.55 117.51 120.07 1owa h ILE 69 Ca 0.35 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1owa h ILE 69 Cb -0.15 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1owa h ILE 69 CO -0.08 0.31 0.55 0.24 0.00 0.00 0.00 178.15 179.18 1owa h MET 70 N 0.98 1.10 -0.52 2.37 2.86 -1.02 0.53 114.93 121.23 1owa h MET 70 Ca 0.23 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1owa h MET 70 Cb 0.23 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1owa h MET 70 CO -0.02 0.72 0.30 0.93 1.06 0.00 0.00 176.91 179.90 1owa h GLU 71 N 1.13 0.72 -0.38 1.72 5.08 -1.06 0.28 114.58 122.07 1owa h GLU 71 Ca 0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1owa h GLU 71 Cb -0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1owa h GLU 71 CO -0.07 0.54 0.18 0.87 -1.00 0.00 0.00 179.01 179.54 1owa h LYS 72 N 0.69 0.52 -0.53 2.33 1.79 -0.95 -0.69 116.57 119.73 1owa h LYS 72 Ca 0.18 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 1owa h LYS 72 Cb 0.03 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1owa h LYS 72 CO -0.03 0.41 -0.04 0.28 -1.08 0.00 0.00 179.45 178.98 1owa h VAL 73 N 0.52 1.27 -0.28 0.50 2.07 0.12 0.42 116.25 120.86 1owa h VAL 73 Ca 0.13 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1owa h VAL 73 Cb 0.06 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1owa h VAL 73 CO -0.02 0.41 0.06 0.78 0.02 0.00 0.00 177.57 178.82 1owa h ASN 74 N 0.84 0.44 -0.41 0.57 2.35 0.48 0.55 115.58 120.40 1owa h ASN 74 Ca 0.15 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1owa h ASN 74 Cb 0.59 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1owa h ASN 74 CO 0.04 0.57 0.00 -0.29 -1.65 0.00 0.00 177.43 176.10 1owa h ILE 75 N 0.29 1.24 -0.87 2.81 2.10 -1.07 0.44 117.51 122.46 1owa h ILE 75 Ca 0.09 -1.00 0.01 0.00 1.08 0.00 0.00 64.86 65.03 1owa h ILE 75 Cb 0.31 0.87 -0.04 0.00 -1.09 0.00 0.00 36.82 36.87 1owa h ILE 75 CO 0.00 0.35 0.58 0.25 -1.08 0.00 0.00 178.15 178.25 1owa h LEU 76 N 0.75 0.99 -1.00 2.19 5.85 0.54 0.20 115.31 124.83 1owa h LEU 76 Ca 0.15 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1owa h LEU 76 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1owa h LEU 76 CO 0.02 0.72 -0.43 0.74 -0.34 0.00 0.00 178.44 179.15 1owa h THR 77 N 1.17 1.32 -0.73 1.05 2.02 0.95 -2.99 112.91 115.70 1owa h THR 77 Ca 0.32 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.97 1owa h THR 77 Cb -0.13 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1owa h THR 77 CO -0.07 0.45 0.48 -0.78 0.37 0.00 0.00 175.52 175.97 1owa h ASP 78 N 0.12 0.83 0.06 4.18 1.82 0.29 0.79 116.42 124.51 1owa h ASP 78 Ca 0.01 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1owa h ASP 78 Cb 0.81 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1owa h ASP 78 CO 0.06 0.60 -0.02 0.07 -1.61 0.00 0.00 179.24 178.34 1owa h LYS 79 N 0.99 0.00 -0.96 0.28 2.10 -1.09 -0.60 116.57 117.29 1owa h LYS 79 Ca 0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1owa h LYS 79 Cb -0.11 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.17 1owa h LYS 79 CO -0.06 0.02 0.59 0.77 -2.00 0.00 0.00 179.45 178.77 1owa h SER 80 N 0.00 1.14 -0.85 7.07 0.02 -0.86 -2.68 113.55 117.39 1owa h SER 80 Ca -0.00 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1owa h SER 80 Cb 0.06 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1owa h SER 80 CO 0.00 0.87 0.55 1.88 -1.14 0.00 0.00 176.83 178.99 1owa h TYR 81 N 1.32 1.03 -3.48 3.45 0.05 -0.97 -3.42 116.97 114.96 1owa h TYR 81 Ca 0.35 0.03 -0.31 0.00 0.05 0.00 0.00 58.73 58.84 1owa h TYR 81 Cb -0.08 -0.34 -0.35 0.00 1.01 0.00 0.00 36.73 36.97 1owa h TYR 81 CO 0.00 0.60 -0.73 -2.00 -1.05 0.00 0.00 178.16 174.98 1owa s GLU 82 N -6.10 -0.04 -0.50 4.88 2.56 -1.01 -5.08 118.70 113.41 1owa s GLU 82 Ca -0.13 0.22 0.07 0.00 0.00 0.00 0.00 54.97 55.14 1owa s GLU 82 Cb 0.17 -0.28 0.27 0.00 2.00 0.00 0.00 34.13 36.28 1owa s GLU 82 CO 0.79 -0.19 0.67 -0.25 -0.56 0.00 0.00 175.26 175.72 1owa n ASP 83 N 4.35 2.00 -4.27 -1.70 9.92 -1.25 -4.66 116.55 120.94 1owa n ASP 83 Ca -0.24 -3.10 -0.27 0.00 -0.53 0.00 0.00 54.79 50.64 1owa n ASP 83 Cb 0.50 -0.64 0.17 0.00 -0.64 0.00 0.00 41.12 40.51 1owa n ASP 83 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1owa s PRO 84 N -2.00 0.89 0.00 -0.24 0.04 -1.26 -5.07 135.00 127.36 1owa s PRO 84 Ca 0.39 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1owa s PRO 84 Cb 0.19 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1owa s PRO 84 CO -0.07 -2.13 0.00 2.41 0.04 0.00 0.00 177.00 177.25 1owa n THR 85 N -3.44 0.00 -2.61 1.26 -1.04 -1.26 -4.81 114.28 102.37 1owa n THR 85 Ca 0.16 0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 62.24 1owa n THR 85 Cb 0.60 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 1owa n THR 85 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1owa s ASN 86 N -2.91 7.24 -0.42 8.00 0.01 -1.26 -4.71 114.94 120.88 1owa s ASN 86 Ca 0.00 1.73 0.06 0.00 -0.71 0.00 0.00 52.86 53.94 1owa s ASN 86 Cb 0.00 -2.57 0.17 0.00 0.41 0.00 0.00 41.25 39.27 1owa s ASN 86 CO 0.00 -0.39 0.55 -0.63 -1.51 0.00 0.00 177.10 175.12 1owa s ILE 87 N 1.38 -0.69 0.24 0.60 1.01 -1.26 -5.01 121.20 117.46 1owa s ILE 87 Ca 0.53 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 1owa s ILE 87 Cb -0.23 -0.30 0.22 0.00 0.01 0.00 0.00 42.46 42.17 1owa s ILE 87 CO 0.25 -0.27 1.88 1.56 0.00 0.00 0.00 174.94 178.36 1owa h GLN 88 N 6.51 1.28 -0.02 2.79 4.20 -1.99 -1.83 115.11 126.05 1owa h GLN 88 Ca 0.07 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1owa h GLN 88 Cb 1.11 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1owa h GLN 88 CO 0.13 0.91 -0.01 0.78 -0.67 0.00 0.00 178.83 179.97 1owa h GLY 89 N 1.30 0.05 1.03 3.46 0.00 -2.00 -2.34 103.07 104.57 1owa h GLY 89 Ca 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1owa h GLY 89 CO -0.06 0.04 0.44 0.50 0.00 0.00 0.00 176.54 177.46 1owa h LYS 90 N -0.38 1.23 -0.83 4.80 1.57 -1.97 -2.27 116.57 118.73 1owa h LYS 90 Ca 0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1owa h LYS 90 Cb 0.45 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1owa h LYS 90 CO 0.00 0.93 0.51 -0.92 -0.57 0.00 0.00 179.45 179.41 1owa h TYR 91 N 1.23 1.07 -0.08 -1.35 3.20 -1.35 -1.88 116.97 117.81 1owa h TYR 91 Ca 0.30 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1owa h TYR 91 Cb 0.08 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1owa h TYR 91 CO 0.01 0.70 0.05 1.96 -1.64 0.00 0.00 178.16 179.24 1owa h GLN 92 N 1.13 0.11 -0.71 1.82 4.20 -0.89 -2.36 115.11 118.41 1owa h GLN 92 Ca 0.30 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.01 1owa h GLN 92 Cb -0.07 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1owa h GLN 92 CO -0.06 0.13 0.47 1.57 -0.67 0.00 0.00 178.83 180.27 1owa h LYS 93 N 0.05 0.93 -0.09 1.46 2.10 -1.23 -1.68 116.57 118.12 1owa h LYS 93 Ca 0.03 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1owa h LYS 93 Cb 0.06 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 1owa h LYS 93 CO -0.00 0.61 0.05 1.25 -2.00 0.00 0.00 179.45 179.36 1owa h HIS 94 N 0.96 0.09 -0.33 0.07 2.76 -1.01 0.41 115.15 118.09 1owa h HIS 94 Ca 0.26 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1owa h HIS 94 Cb -0.11 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 1owa h HIS 94 CO -0.00 0.05 0.19 1.96 -1.30 0.00 0.00 177.93 178.84 1owa h GLN 95 N 0.10 0.46 -0.85 5.26 4.20 -0.94 0.15 115.11 123.49 1owa h GLN 95 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1owa h GLN 95 Cb -0.00 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1owa h GLN 95 CO -0.02 0.36 0.45 0.77 -0.67 0.00 0.00 178.83 179.72 1owa h SER 96 N 0.43 1.07 0.46 1.46 0.02 -1.09 0.24 113.55 116.14 1owa h SER 96 Ca 0.12 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1owa h SER 96 Cb 0.03 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1owa h SER 96 CO -0.02 0.88 -0.06 0.25 -1.14 0.00 0.00 176.83 176.73 1owa h LEU 97 N 1.19 0.00 -0.35 5.07 6.46 0.32 -0.49 115.31 127.50 1owa h LEU 97 Ca 0.30 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1owa h LEU 97 Cb 0.06 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1owa h LEU 97 CO -0.04 0.06 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.49 1owa h GLU 98 N 0.00 0.63 -0.25 1.25 5.08 0.24 0.40 114.58 121.93 1owa h GLU 98 Ca -0.00 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1owa h GLU 98 Cb 0.31 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1owa h GLU 98 CO 0.01 0.76 -0.44 0.00 -1.00 0.00 0.00 179.01 178.34 1owa h ALA 99 N 0.85 0.77 -0.85 3.43 0.00 -0.98 -2.88 119.26 119.60 1owa h ALA 99 Ca 0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1owa h ALA 99 Cb 0.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1owa h ALA 99 CO 0.02 0.66 0.45 0.93 0.00 0.00 0.00 179.25 181.31 1owa h GLU 100 N 0.50 1.21 0.02 0.00 5.08 -0.75 0.88 114.58 121.51 1owa h GLU 100 Ca 0.03 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1owa h GLU 100 Cb 0.97 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1owa h GLU 100 CO 0.09 0.90 -0.01 0.28 -1.00 0.00 0.00 179.01 179.26 1owa h VAL 101 N 1.20 1.05 -0.72 3.13 2.07 -0.82 0.96 116.25 123.11 1owa h VAL 101 Ca 0.30 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1owa h VAL 101 Cb 0.06 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1owa h VAL 101 CO -0.04 0.06 0.34 -0.61 0.02 0.00 0.00 177.57 177.33 1owa h GLN 102 N -0.13 1.04 -0.13 1.57 4.15 -1.27 0.11 115.11 120.44 1owa h GLN 102 Ca -0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1owa h GLN 102 Cb 0.12 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1owa h GLN 102 CO 0.01 0.81 -0.06 1.15 -1.93 0.00 0.00 178.83 178.81 1owa h THR 103 N 1.03 1.31 -0.70 2.39 2.02 0.14 -2.27 112.91 116.83 1owa h THR 103 Ca 0.25 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1owa h THR 103 Cb 0.12 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1owa h THR 103 CO -0.03 0.31 0.23 0.11 0.37 0.00 0.00 175.52 176.51 1owa h LYS 104 N -0.06 1.07 -1.00 6.66 1.79 0.11 -2.32 116.57 122.82 1owa h LYS 104 Ca 0.03 -0.21 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1owa h LYS 104 Cb 0.51 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.94 1owa h LYS 104 CO 0.02 0.90 0.66 1.03 -1.08 0.00 0.00 179.45 180.98 1owa h SER 105 N 1.03 1.14 -0.09 0.86 0.87 -0.70 -0.22 113.55 116.44 1owa h SER 105 Ca 0.23 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1owa h SER 105 Cb 0.27 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1owa h SER 105 CO -0.01 0.82 -0.22 0.08 -0.53 0.00 0.00 176.83 176.96 1owa h ARG 106 N 1.34 0.51 -0.12 2.24 0.11 -1.06 0.17 114.38 117.57 1owa h ARG 106 Ca 0.37 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1owa h ARG 106 Cb -0.13 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 30.91 1owa h ARG 106 CO -0.09 0.70 0.08 1.25 0.10 0.00 0.00 179.97 182.02 1owa h LEU 107 N 0.46 0.13 -0.71 0.08 6.46 -0.65 1.27 115.31 122.35 1owa h LEU 107 Ca 0.07 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.72 1owa h LEU 107 Cb 0.64 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1owa h LEU 107 CO 0.05 0.09 -0.15 -0.03 -0.62 0.00 0.00 178.44 177.78 1owa h MET 108 N 0.15 0.84 0.04 1.25 4.05 0.94 1.53 114.93 123.74 1owa h MET 108 Ca 0.05 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1owa h MET 108 Cb 0.00 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1owa h MET 108 CO -0.01 0.93 -0.02 0.77 0.23 0.00 0.00 176.91 178.82 1owa h SER 109 N 0.75 -0.05 -0.71 1.39 0.02 0.26 -0.76 113.55 114.45 1owa h SER 109 Ca 0.12 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1owa h SER 109 Cb 0.66 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1owa h SER 109 CO 0.05 0.17 0.38 -0.08 -1.14 0.00 0.00 176.83 176.21 1owa h GLU 110 N -0.27 1.02 -0.98 3.45 4.57 0.13 -1.98 114.58 120.53 1owa h GLU 110 Ca -0.01 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1owa h GLU 110 Cb 0.24 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1owa h GLU 110 CO 0.01 0.77 0.64 1.25 -1.18 0.00 0.00 179.01 180.50 1owa h LEU 111 N 1.03 1.08 -0.34 1.64 5.85 0.26 0.98 115.31 125.81 1owa h LEU 111 Ca 0.26 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1owa h LEU 111 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1owa h LEU 111 CO -0.04 0.75 0.02 -0.08 -0.34 0.00 0.00 178.44 178.75 1owa h GLU 112 N 1.26 0.59 -0.70 1.25 4.81 -0.47 -1.80 114.58 119.53 1owa h GLU 112 Ca 0.38 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1owa h GLU 112 Cb -0.04 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1owa h GLU 112 CO -0.11 0.70 0.46 0.87 -0.73 0.00 0.00 179.01 180.20 1owa h LYS 113 N 0.40 0.92 -0.96 1.92 1.79 -0.62 -1.56 116.57 118.46 1owa h LYS 113 Ca 0.10 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1owa h LYS 113 Cb 0.42 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 1owa h LYS 113 CO 0.01 0.61 0.64 1.15 -1.08 0.00 0.00 179.45 180.78 1owa h THR 114 N 0.94 1.24 -0.24 -0.16 2.02 0.18 1.06 112.91 117.95 1owa h THR 114 Ca 0.25 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1owa h THR 114 Cb -0.11 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.12 1owa h THR 114 CO -0.05 0.24 0.16 -0.09 0.37 0.00 0.00 175.52 176.14 1owa h ARG 115 N 1.29 0.31 -0.26 6.66 2.43 -0.50 0.39 114.38 124.71 1owa h ARG 115 Ca 0.35 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1owa h ARG 115 Cb -0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1owa h ARG 115 CO -0.08 0.21 -0.28 0.93 -1.51 0.00 0.00 179.97 179.24 1owa h GLU 116 N 0.32 0.51 -0.93 0.20 5.08 -1.18 -2.75 114.58 115.84 1owa h GLU 116 Ca 0.09 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1owa h GLU 116 Cb -0.03 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1owa h GLU 116 CO -0.02 0.74 0.62 1.49 -1.00 0.00 0.00 179.01 180.84 1owa h GLU 117 N 0.45 1.22 0.00 2.33 4.81 0.25 -3.43 114.58 120.21 1owa h GLU 117 Ca 0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1owa h GLU 117 Cb 0.72 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1owa h GLU 117 CO 0.05 0.81 0.00 0.54 -0.73 0.00 0.00 179.01 179.68 1owa n ARG 118 N -4.44 0.14 -0.08 1.92 1.74 0.12 -4.98 116.66 111.08 1owa n ARG 118 Ca 0.11 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 1owa n ARG 118 Cb 0.01 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.46 1owa n ARG 118 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1owa h PHE 119 N -0.87 1.00 -5.30 -1.55 0.04 -1.84 -3.47 116.94 104.95 1owa h PHE 119 Ca 0.00 -0.31 -0.34 0.00 2.80 0.00 0.00 57.97 60.11 1owa h PHE 119 Cb 0.00 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 37.86 1owa h PHE 119 CO 0.00 1.11 -0.50 -2.37 -0.60 0.00 0.00 178.31 175.94 1owa n THR 120 N -4.03 -0.83 -2.94 -1.55 5.66 -1.26 -4.91 114.28 104.42 1owa n THR 120 Ca -0.03 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.57 1owa n THR 120 Cb 0.56 -1.62 -0.05 0.00 -1.55 0.00 0.00 70.33 67.67 1owa n THR 120 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1owa s MET 121 N -5.88 4.51 0.00 1.09 -1.94 -1.26 -4.85 119.30 110.97 1owa s MET 121 Ca 0.34 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.42 1owa s MET 121 Cb -0.18 -3.39 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1owa s MET 121 CO 0.42 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 176.04 1owa n GLY 122 N 2.58 2.36 0.33 -0.03 0.00 -1.26 -4.85 105.19 104.31 1owa n GLY 122 Ca -0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 1owa n GLY 122 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1owa h HIS 123 N 0.00 1.20 -0.40 1.61 2.07 -2.00 -2.30 115.15 115.33 1owa h HIS 123 Ca 0.00 -0.15 -0.16 0.00 -2.85 0.00 0.00 60.37 57.22 1owa h HIS 123 Cb 0.00 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 29.63 1owa h HIS 123 CO 0.00 0.98 -0.37 0.66 -3.07 0.00 0.00 177.93 176.13 1owa h SER 124 N 1.08 1.01 -0.00 3.10 4.64 -2.00 -2.13 113.55 119.25 1owa h SER 124 Ca 0.22 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1owa h SER 124 Cb 0.38 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1owa h SER 124 CO 0.00 1.26 0.01 0.00 -0.87 0.00 0.00 176.83 177.23 1owa h ALA 125 N 0.79 1.32 -0.30 5.18 0.00 -1.84 -0.73 119.26 123.67 1owa h ALA 125 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1owa h ALA 125 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1owa h ALA 125 CO 0.09 -0.01 0.00 1.25 0.00 0.00 0.00 179.25 180.59 1owa h HIS 126 N 0.00 0.58 -0.53 0.00 2.76 -0.81 -1.59 115.15 115.57 1owa h HIS 126 Ca 0.00 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1owa h HIS 126 Cb 0.02 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1owa h HIS 126 CO 0.00 0.66 0.20 0.93 -1.30 0.00 0.00 177.93 178.43 1owa h GLU 127 N 0.33 0.79 -0.28 5.26 5.08 -1.11 0.89 114.58 125.54 1owa h GLU 127 Ca 0.09 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1owa h GLU 127 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1owa h GLU 127 CO 0.01 0.70 0.14 1.49 -1.00 0.00 0.00 179.01 180.35 1owa h GLU 128 N 0.71 0.41 -0.22 2.33 4.81 -1.37 -0.82 114.58 120.44 1owa h GLU 128 Ca 0.17 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1owa h GLU 128 Cb 0.21 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1owa h GLU 128 CO -0.01 0.39 -0.20 0.00 -0.73 0.00 0.00 179.01 178.46 1owa h THR 129 N 0.32 1.32 -0.87 0.32 1.03 -1.20 -2.36 112.91 111.47 1owa h THR 129 Ca 0.10 -1.35 0.01 0.00 -0.01 0.00 0.00 66.41 65.16 1owa h THR 129 Cb 0.12 1.71 -0.04 0.00 -1.07 0.00 0.00 68.15 68.86 1owa h THR 129 CO -0.01 0.41 0.58 0.50 -0.01 0.00 0.00 175.52 176.99 1owa h LYS 130 N 0.21 1.14 -0.52 0.00 3.64 -0.77 -2.23 116.57 118.04 1owa h LYS 130 Ca 0.04 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1owa h LYS 130 Cb 0.74 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1owa h LYS 130 CO 0.05 0.75 -0.15 0.00 -2.27 0.00 0.00 179.45 177.84 1owa h ALA 131 N 1.32 0.72 -0.49 5.00 0.00 -1.13 -1.76 119.26 122.92 1owa h ALA 131 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1owa h ALA 131 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1owa h ALA 131 CO -0.07 0.66 0.33 1.25 0.00 0.00 0.00 179.25 181.41 1owa h HIS 132 N 0.88 0.62 -0.44 0.00 -0.00 -1.03 -0.66 115.15 114.53 1owa h HIS 132 Ca 0.13 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.37 1owa h HIS 132 Cb 0.72 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 1owa h HIS 132 CO 0.05 0.39 -0.30 0.97 -0.00 0.00 0.00 177.93 179.04 1owa h ILE 133 N 0.67 1.27 -0.95 6.26 2.10 -1.37 -2.91 117.51 122.58 1owa h ILE 133 Ca 0.18 -1.47 -0.00 0.00 1.08 0.00 0.00 64.86 64.64 1owa h ILE 133 Cb -0.08 1.25 -0.05 0.00 -1.09 0.00 0.00 36.82 36.86 1owa h ILE 133 CO -0.04 0.50 0.58 -0.33 -1.08 0.00 0.00 178.15 177.78 1owa h GLU 134 N 0.82 1.28 -0.93 2.19 5.08 -1.02 -2.28 114.58 119.73 1owa h GLU 134 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1owa h GLU 134 Cb 0.89 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1owa h GLU 134 CO 0.08 0.89 0.54 0.93 -1.00 0.00 0.00 179.01 180.46 1owa h GLU 135 N 1.31 1.28 -0.97 2.33 4.39 -1.02 -2.23 114.58 119.66 1owa h GLU 135 Ca 0.34 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.92 1owa h GLU 135 Cb -0.07 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.27 1owa h GLU 135 CO -0.06 0.90 0.64 -0.07 -1.16 0.00 0.00 179.01 179.26 1owa h LEU 136 N 1.29 1.11 -0.91 1.33 3.38 -1.23 -2.15 115.31 118.13 1owa h LEU 136 Ca 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1owa h LEU 136 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1owa h LEU 136 CO -0.06 0.81 0.49 0.03 0.09 0.00 0.00 178.44 179.80 1owa h ARG 137 N 1.32 1.26 -0.72 1.13 3.08 -1.10 0.15 114.38 119.50 1owa h ARG 137 Ca 0.36 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1owa h ARG 137 Cb -0.15 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.62 1owa h ARG 137 CO -0.08 0.92 0.44 0.45 -1.07 0.00 0.00 179.97 180.63 1owa h HIS 138 N 1.26 0.94 -0.45 3.04 3.86 -1.17 -0.45 115.15 122.20 1owa h HIS 138 Ca 0.32 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.40 1owa h HIS 138 Cb 0.03 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1owa h HIS 138 CO 0.01 0.63 -0.23 -0.07 0.86 0.00 0.00 177.93 179.14 1owa h LEU 139 N 0.98 0.94 -0.90 2.43 -0.00 -1.23 -2.95 115.31 114.59 1owa h LEU 139 Ca 0.26 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1owa h LEU 139 Cb -0.04 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.32 1owa h LEU 139 CO -0.05 1.12 0.59 -0.25 -0.00 0.00 0.00 178.44 179.86 1owa h TRP 140 N 0.79 1.12 -0.54 1.13 2.91 -0.37 -1.85 115.95 119.15 1owa h TRP 140 Ca 0.10 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1owa h TRP 140 Cb 0.79 -0.38 -0.03 0.00 -0.51 0.00 0.00 29.16 29.03 1owa h TRP 140 CO 0.05 0.71 0.36 -0.44 -1.03 0.00 0.00 178.44 178.08 1owa h ASP 141 N 1.21 0.62 -0.76 2.65 3.32 -0.93 0.17 116.42 122.70 1owa h ASP 141 Ca 0.33 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1owa h ASP 141 Cb -0.14 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1owa h ASP 141 CO -0.07 0.45 0.44 -0.07 -1.72 0.00 0.00 179.24 178.27 1owa h LEU 142 N 0.73 0.92 -0.95 1.55 3.38 -1.32 -1.63 115.31 117.99 1owa h LEU 142 Ca 0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1owa h LEU 142 Cb -0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1owa h LEU 142 CO -0.04 0.73 0.28 -0.07 0.09 0.00 0.00 178.44 179.43 1owa h LEU 143 N 1.04 0.95 0.00 1.67 3.38 -0.79 0.43 115.31 121.99 1owa h LEU 143 Ca 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1owa h LEU 143 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1owa h LEU 143 CO -0.05 0.85 -0.00 -0.07 0.09 0.00 0.00 178.44 179.26 1owa h LEU 144 N 1.01 -0.00 -0.96 1.67 3.38 -0.32 1.08 115.31 121.16 1owa h LEU 144 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1owa h LEU 144 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1owa h LEU 144 CO -0.02 0.01 0.60 -0.33 0.09 0.00 0.00 178.44 178.79 1owa h GLU 145 N -0.01 1.29 -0.67 1.13 5.08 -0.95 0.25 114.58 120.70 1owa h GLU 145 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1owa h GLU 145 Cb 0.01 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 1owa h GLU 145 CO 0.00 0.89 0.37 -0.07 -1.00 0.00 0.00 179.01 179.20 1owa h LEU 146 N 1.32 0.83 -0.16 1.33 3.38 0.11 1.11 115.31 123.23 1owa h LEU 146 Ca 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1owa h LEU 146 Cb -0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1owa h LEU 146 CO -0.07 0.68 -0.06 0.74 0.09 0.00 0.00 178.44 179.82 1owa h THR 147 N 0.91 1.30 -0.86 0.22 2.02 0.19 -1.79 112.91 114.90 1owa h THR 147 Ca 0.24 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1owa h THR 147 Cb 0.03 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1owa h THR 147 CO -0.04 0.32 0.55 -0.07 0.37 0.00 0.00 175.52 176.64 1owa h LEU 148 N 0.02 1.01 -0.65 2.58 3.38 -0.30 -1.96 115.31 119.39 1owa h LEU 148 Ca 0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1owa h LEU 148 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1owa h LEU 148 CO 0.02 0.75 0.43 -0.08 0.09 0.00 0.00 178.44 179.66 1owa h GLU 149 N 1.18 0.86 -0.42 1.13 4.57 0.16 -2.15 114.58 119.91 1owa h GLU 149 Ca 0.31 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1owa h GLU 149 Cb -0.09 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 1owa h GLU 149 CO -0.06 0.57 -0.29 1.57 -1.18 0.00 0.00 179.01 179.61 1owa h LYS 150 N 0.88 0.92 -0.42 1.92 2.10 -0.88 -3.01 116.57 118.09 1owa h LYS 150 Ca 0.24 -0.43 0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1owa h LYS 150 Cb -0.10 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.19 1owa h LYS 150 CO -0.05 1.09 0.28 0.78 -2.00 0.00 0.00 179.45 179.55 1owa h GLY 151 N 0.86 0.58 1.00 0.07 0.00 -1.01 -0.62 103.07 103.96 1owa h GLY 151 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1owa h GLY 151 CO 0.08 0.20 0.39 -0.55 0.00 0.00 0.00 176.54 176.66 1owa h ASP 152 N 0.55 0.70 0.74 0.19 3.32 -1.26 0.38 116.42 121.04 1owa h ASP 152 Ca 0.16 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1owa h ASP 152 Cb -0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1owa h ASP 152 CO -0.04 0.52 -0.27 1.56 -1.72 0.00 0.00 179.24 179.30 1owa h GLN 153 N 0.82 0.00 0.00 3.56 1.08 -1.37 -2.43 115.11 116.77 1owa h GLN 153 Ca 0.22 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.38 1owa h GLN 153 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1owa h GLN 153 CO -0.05 0.27 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.82 1owa h LEU 154 N 0.00 0.00 -9.81 1.46 -0.00 0.57 -3.44 115.31 104.09 1owa h LEU 154 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.35 1owa h LEU 154 Cb 0.71 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.43 1owa h LEU 154 CO 0.03 0.21 0.70 -0.76 -0.00 0.00 0.00 178.44 178.62 1owa s LEU 155 N -7.10 4.40 0.00 1.67 1.43 -0.70 -4.88 118.68 113.50 1owa s LEU 155 Ca -0.01 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1owa s LEU 155 Cb 0.12 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1owa s LEU 155 CO 0.63 -0.62 0.00 -1.14 0.23 0.00 0.00 176.35 175.45