#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owa h GLU 2 N 0.00 0.00 -6.44 0.03 4.39 -2.13 -3.43 114.58 106.99 1owa h GLU 2 Ca 0.00 -0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1owa h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1owa h GLU 2 CO 0.00 0.60 0.52 -1.14 -1.16 0.00 0.00 179.01 177.83 1owa s GLN 3 N -3.66 4.46 -0.36 2.33 0.74 -1.26 -5.00 119.66 116.91 1owa s GLN 3 Ca -0.01 1.66 -0.24 0.00 0.05 0.00 0.00 55.36 56.81 1owa s GLN 3 Cb 0.13 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1owa s GLN 3 CO 0.76 -0.22 0.83 0.12 -0.55 0.00 0.00 175.29 176.23 1owa s PHE 4 N 1.16 3.11 0.13 1.67 2.19 -1.26 -5.04 117.98 119.94 1owa s PHE 4 Ca 0.56 0.64 -0.30 0.00 0.33 0.00 0.00 56.93 58.16 1owa s PHE 4 Cb -0.27 -3.47 -0.06 0.00 -1.31 0.00 0.00 43.02 37.91 1owa s PHE 4 CO 0.28 -0.76 0.99 -1.25 1.83 0.00 0.00 175.22 176.32 1owa s PRO 5 N 3.21 4.68 0.15 10.12 0.04 -1.26 -5.02 135.00 146.92 1owa s PRO 5 Ca 0.34 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1owa s PRO 5 Cb -0.13 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 1owa s PRO 5 CO 0.17 0.20 1.11 0.15 0.04 0.00 0.00 177.00 178.66 1owa s LYS 6 N -0.12 4.57 -0.24 4.56 1.02 -1.26 -5.02 119.74 123.24 1owa s LYS 6 Ca 0.47 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 58.06 1owa s LYS 6 Cb -0.25 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 1owa s LYS 6 CO 0.31 0.02 0.16 -2.00 -0.92 0.00 0.00 175.35 172.92 1owa s GLU 7 N -0.07 4.05 0.13 1.68 2.12 -1.26 -5.07 118.70 120.28 1owa s GLU 7 Ca 0.51 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.26 1owa s GLU 7 Cb -0.29 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.48 1owa s GLU 7 CO 0.34 0.03 0.96 0.95 -0.54 0.00 0.00 175.26 176.99 1owa s THR 8 N 1.15 4.41 0.00 -1.70 -4.23 -1.26 -5.03 115.64 108.99 1owa s THR 8 Ca 0.07 2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 62.40 1owa s THR 8 Cb -0.14 -4.32 -0.05 0.00 1.34 0.00 0.00 72.50 69.33 1owa s THR 8 CO 0.05 0.35 0.76 0.68 -0.54 0.00 0.00 174.62 175.92 1owa s VAL 9 N -0.21 4.85 -0.01 2.29 -7.23 -1.26 -5.04 120.40 113.79 1owa s VAL 9 Ca 0.46 1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 61.94 1owa s VAL 9 Cb -0.24 -4.11 -0.03 0.00 0.56 0.00 0.00 36.38 32.56 1owa s VAL 9 CO 0.30 0.31 0.95 -0.69 -0.31 0.00 0.00 175.10 175.66 1owa s VAL 10 N 0.32 4.89 0.37 1.32 1.01 -1.26 -5.03 120.40 122.01 1owa s VAL 10 Ca 0.39 1.99 -0.25 0.00 0.00 0.00 0.00 61.98 64.12 1owa s VAL 10 Cb -0.20 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1owa s VAL 10 CO 0.22 0.17 1.01 -1.61 0.00 0.00 0.00 175.10 174.88 1owa s GLU 11 N 0.99 4.35 0.02 2.72 2.02 -1.26 -4.95 118.70 122.59 1owa s GLU 11 Ca 0.50 1.44 0.28 0.00 0.02 0.00 0.00 54.97 57.21 1owa s GLU 11 Cb -0.21 -2.65 1.19 0.00 0.10 0.00 0.00 34.13 32.56 1owa s GLU 11 CO 0.27 0.04 1.91 0.43 0.02 0.00 0.00 175.26 177.92 1owa n SER 12 N 0.19 0.06 -4.06 -0.19 7.64 -1.26 -4.92 113.62 111.09 1owa n SER 12 Ca 0.04 0.51 -0.32 0.00 1.01 0.00 0.00 58.87 60.10 1owa n SER 12 Cb 0.50 -0.52 -0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1owa n SER 12 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1owa n SER 13 N -1.56 -3.40 -4.49 6.43 3.41 -1.26 -4.89 113.62 107.86 1owa n SER 13 Ca 0.07 -0.92 -0.43 0.00 -0.26 0.00 0.00 58.87 57.33 1owa n SER 13 Cb 0.34 -3.26 -0.04 0.00 -0.26 0.00 0.00 64.21 60.99 1owa n SER 13 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1owa s GLY 14 N -3.48 1.38 0.35 5.00 0.00 -1.26 -5.03 107.32 104.28 1owa s GLY 14 Ca 0.59 -1.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1owa s GLY 14 CO 0.88 2.06 0.93 2.56 0.00 0.00 0.00 173.10 179.53 1owa s PRO 15 N 4.02 4.45 0.15 2.90 0.04 -1.26 -4.78 135.00 140.52 1owa s PRO 15 Ca 0.26 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1owa s PRO 15 Cb -0.15 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1owa s PRO 15 CO 0.15 0.19 0.00 1.63 0.04 0.00 0.00 177.00 179.01 1owa n LYS 16 N 0.19 -4.55 -2.48 4.56 5.02 -1.26 -4.90 118.16 114.75 1owa n LYS 16 Ca 0.03 3.32 -0.41 0.00 -2.02 0.00 0.00 58.31 59.23 1owa n LYS 16 Cb 0.51 -3.58 -0.03 0.00 -0.02 0.00 0.00 35.03 31.90 1owa n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1owa s VAL 17 N -0.43 3.96 0.08 -0.18 0.11 -1.26 -5.00 120.40 117.68 1owa s VAL 17 Ca 0.00 1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 60.30 1owa s VAL 17 Cb 0.00 -3.99 -0.06 0.00 -1.53 0.00 0.00 36.38 30.80 1owa s VAL 17 CO 0.00 0.20 1.14 -0.22 -3.33 0.00 0.00 175.10 172.89 1owa s LEU 18 N 0.29 4.40 -0.26 2.54 2.96 -1.26 -5.01 118.68 122.33 1owa s LEU 18 Ca 0.53 1.97 0.02 0.00 -0.22 0.00 0.00 54.13 56.44 1owa s LEU 18 Cb -0.29 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 42.88 1owa s LEU 18 CO 0.32 -0.38 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.29 1owa s GLU 19 N 0.71 1.94 0.63 1.98 0.41 -1.26 -5.05 118.70 118.06 1owa s GLU 19 Ca 0.55 -1.24 -0.10 0.00 -0.41 0.00 0.00 54.97 53.77 1owa s GLU 19 Cb -0.28 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.27 1owa s GLU 19 CO 0.30 -0.61 1.02 0.99 -0.49 0.00 0.00 175.26 176.47 1owa s THR 20 N 1.21 4.38 0.10 3.63 2.01 -1.26 -4.79 115.64 120.91 1owa s THR 20 Ca -0.06 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 1owa s THR 20 Cb -0.19 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 1owa s THR 20 CO -0.06 -0.96 1.69 0.00 -0.69 0.00 0.00 174.62 174.60 1owa h ALA 21 N -0.34 0.24 -0.26 7.40 0.00 -1.99 1.95 119.26 126.25 1owa h ALA 21 Ca -0.45 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1owa h ALA 21 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1owa h ALA 21 CO 0.62 -0.22 -0.59 1.05 0.00 0.00 0.00 179.25 180.12 1owa h GLU 22 N 0.18 0.86 -0.23 0.00 4.11 -1.96 1.45 114.58 119.00 1owa h GLU 22 Ca 0.06 -0.58 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 1owa h GLU 22 Cb 0.09 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1owa h GLU 22 CO -0.01 1.21 0.12 0.93 0.07 0.00 0.00 179.01 181.33 1owa h GLU 23 N 0.64 0.33 -0.37 1.06 5.08 -1.84 0.80 114.58 120.28 1owa h GLU 23 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1owa h GLU 23 Cb 1.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1owa h GLU 23 CO 0.13 0.32 -0.26 0.82 -1.00 0.00 0.00 179.01 179.02 1owa h ILE 24 N 0.26 1.28 -1.01 3.13 2.04 0.31 -2.53 117.51 121.00 1owa h ILE 24 Ca 0.08 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1owa h ILE 24 Cb 0.09 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1owa h ILE 24 CO -0.01 0.47 0.66 -0.61 0.00 0.00 0.00 178.15 178.66 1owa h GLN 25 N 0.62 1.33 -0.03 2.37 4.15 0.24 1.02 115.11 124.81 1owa h GLN 25 Ca 0.07 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1owa h GLN 25 Cb 0.83 -0.30 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1owa h GLN 25 CO 0.07 0.88 0.02 1.49 -1.93 0.00 0.00 178.83 179.36 1owa h GLU 26 N 1.36 0.03 -0.87 1.69 4.81 0.74 0.24 114.58 122.59 1owa h GLU 26 Ca 0.37 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1owa h GLU 26 Cb -0.16 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1owa h GLU 26 CO -0.08 0.02 0.57 -0.09 -0.73 0.00 0.00 179.01 178.71 1owa h ARG 27 N 0.03 1.14 -0.49 1.92 2.43 -0.93 -2.21 114.38 116.28 1owa h ARG 27 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1owa h ARG 27 Cb -0.00 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1owa h ARG 27 CO -0.00 0.76 0.32 0.00 -1.51 0.00 0.00 179.97 179.54 1owa h ARG 28 N 1.18 0.64 -0.65 0.20 2.47 0.25 -1.50 114.38 116.97 1owa h ARG 28 Ca 0.32 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1owa h ARG 28 Cb -0.13 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.01 1owa h ARG 28 CO -0.07 0.43 0.40 1.96 0.56 0.00 0.00 179.97 183.25 1owa h GLN 29 N 0.66 0.88 -0.68 0.04 4.20 0.00 -2.33 115.11 117.88 1owa h GLN 29 Ca 0.18 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1owa h GLN 29 Cb -0.07 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1owa h GLN 29 CO -0.04 0.62 0.21 0.93 -0.67 0.00 0.00 178.83 179.89 1owa h GLU 30 N 0.88 1.06 -0.14 1.46 5.08 -1.15 -2.32 114.58 119.44 1owa h GLU 30 Ca 0.23 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1owa h GLU 30 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1owa h GLU 30 CO -0.04 0.92 0.09 0.28 -1.00 0.00 0.00 179.01 179.25 1owa h VAL 31 N 1.00 1.03 -0.98 3.13 2.07 -0.99 -1.68 116.25 119.83 1owa h VAL 31 Ca 0.22 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1owa h VAL 31 Cb 0.30 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1owa h VAL 31 CO -0.01 0.03 0.65 -0.07 0.02 0.00 0.00 177.57 178.20 1owa h LEU 32 N 0.18 1.13 -0.72 2.57 3.38 -1.29 -2.36 115.31 118.19 1owa h LEU 32 Ca 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1owa h LEU 32 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1owa h LEU 32 CO -0.01 0.82 0.19 0.74 0.09 0.00 0.00 178.44 180.26 1owa h THR 33 N 1.33 1.26 -0.66 0.22 2.02 -1.12 -2.81 112.91 113.16 1owa h THR 33 Ca 0.36 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1owa h THR 33 Cb -0.16 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1owa h THR 33 CO -0.08 0.38 0.28 0.03 0.37 0.00 0.00 175.52 176.50 1owa h ARG 34 N 1.09 0.97 -0.56 6.66 3.08 -0.83 0.74 114.38 125.53 1owa h ARG 34 Ca 0.23 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1owa h ARG 34 Cb 0.36 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1owa h ARG 34 CO 0.00 0.80 0.37 1.88 -1.07 0.00 0.00 179.97 181.95 1owa h TYR 35 N 0.92 0.70 -0.36 3.04 0.05 -1.26 0.13 116.97 120.19 1owa h TYR 35 Ca 0.22 0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.86 1owa h TYR 35 Cb 0.18 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 1owa h TYR 35 CO 0.01 0.44 -0.38 1.96 -1.05 0.00 0.00 178.16 179.14 1owa h GLN 36 N 0.76 0.89 -0.94 4.88 4.20 -1.28 -2.74 115.11 120.88 1owa h GLN 36 Ca 0.21 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1owa h GLN 36 Cb -0.08 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1owa h GLN 36 CO -0.05 1.13 0.56 0.77 -0.67 0.00 0.00 178.83 180.57 1owa h SER 37 N 0.70 1.14 -0.04 1.46 0.02 -0.52 0.85 113.55 117.15 1owa h SER 37 Ca 0.05 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1owa h SER 37 Cb 0.98 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1owa h SER 37 CO 0.09 0.88 0.03 0.15 -1.14 0.00 0.00 176.83 176.84 1owa h PHE 38 N 1.31 0.06 -0.93 3.45 3.57 -0.91 0.60 116.94 124.08 1owa h PHE 38 Ca 0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1owa h PHE 38 Cb -0.04 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1owa h PHE 38 CO 0.01 0.07 0.54 0.87 -2.23 0.00 0.00 178.31 177.57 1owa h LYS 39 N 0.02 1.28 -0.82 1.11 1.57 -1.13 -2.02 116.57 116.58 1owa h LYS 39 Ca 0.02 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1owa h LYS 39 Cb 0.03 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 1owa h LYS 39 CO -0.00 0.91 0.49 0.93 -0.57 0.00 0.00 179.45 181.21 1owa h GLU 40 N 1.29 1.11 -1.00 3.15 5.08 0.18 -2.49 114.58 121.91 1owa h GLU 40 Ca 0.33 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1owa h GLU 40 Cb -0.02 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.94 1owa h GLU 40 CO -0.06 0.78 0.66 0.00 -1.00 0.00 0.00 179.01 179.40 1owa h ARG 41 N 1.12 1.32 -0.14 2.33 3.08 0.89 -0.20 114.38 122.78 1owa h ARG 41 Ca 0.29 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1owa h ARG 41 Cb -0.04 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 1owa h ARG 41 CO -0.05 0.87 0.02 0.28 -1.07 0.00 0.00 179.97 180.02 1owa h VAL 42 N 1.36 1.23 -0.88 2.04 2.07 -1.13 -2.67 116.25 118.28 1owa h VAL 42 Ca 0.37 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1owa h VAL 42 Cb -0.16 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1owa h VAL 42 CO -0.08 0.22 0.45 0.00 0.02 0.00 0.00 177.57 178.18 1owa h ALA 43 N 0.79 1.13 -1.00 1.67 0.00 -1.18 -2.81 119.26 117.86 1owa h ALA 43 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1owa h ALA 43 Cb 0.32 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1owa h ALA 43 CO 0.00 0.66 0.66 0.93 0.00 0.00 0.00 179.25 181.51 1owa h GLU 44 N 1.24 1.32 -1.00 0.00 5.08 -0.94 -2.61 114.58 117.67 1owa h GLU 44 Ca 0.30 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1owa h GLU 44 Cb 0.08 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 28.98 1owa h GLU 44 CO -0.04 0.87 0.66 0.00 -1.00 0.00 0.00 179.01 179.50 1owa h ARG 45 N 1.36 1.31 0.00 2.33 3.08 -1.20 -3.48 114.38 117.77 1owa h ARG 45 Ca 0.37 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1owa h ARG 45 Cb -0.16 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 29.60 1owa h ARG 45 CO -0.08 0.87 0.00 0.41 -1.07 0.00 0.00 179.97 180.10 1owa n GLY 46 N -1.38 0.60 3.64 0.04 0.00 -0.99 -4.46 105.19 102.65 1owa n GLY 46 Ca 0.12 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 4.04 0.33 1.61 -1.52 -1.26 -5.02 119.66 117.84 1owa s GLN 47 Ca 0.00 1.19 -0.17 0.00 -1.95 0.00 0.00 55.36 54.43 1owa s GLN 47 Cb 0.00 -3.78 -0.09 0.00 -0.22 0.00 0.00 33.01 28.91 1owa s GLN 47 CO 0.00 -0.95 0.78 0.15 -0.25 0.00 0.00 175.29 175.02 1owa s LYS 48 N 3.79 4.07 0.14 2.91 -0.14 -1.26 -4.99 119.74 124.26 1owa s LYS 48 Ca 0.50 0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 55.77 1owa s LYS 48 Cb -0.15 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.53 1owa s LYS 48 CO 0.18 0.14 1.47 1.25 -0.76 0.00 0.00 175.35 177.63 1owa h LEU 49 N 2.30 1.01 -1.86 3.17 5.85 -1.97 -3.49 115.31 120.32 1owa h LEU 49 Ca -0.48 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1owa h LEU 49 Cb 1.18 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1owa h LEU 49 CO 0.65 1.27 0.00 -0.62 -0.34 0.00 0.00 178.44 179.40 1owa n GLU 50 N -4.06 0.00 -2.18 1.25 1.02 -1.26 -5.09 120.64 110.32 1owa n GLU 50 Ca -0.02 0.31 -0.28 0.00 -0.02 0.00 0.00 57.16 57.15 1owa n GLU 50 Cb 0.56 -0.62 0.04 0.00 -0.02 0.00 0.00 31.44 31.39 1owa n GLU 50 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1owa s ASP 51 N 0.00 5.54 -0.01 1.62 1.01 -1.26 -4.99 116.67 118.57 1owa s ASP 51 Ca 0.00 0.89 -0.30 0.00 0.71 0.00 0.00 52.55 53.85 1owa s ASP 51 Cb 0.00 -1.81 -0.06 0.00 1.01 0.00 0.00 42.92 42.07 1owa s ASP 51 CO 0.00 -1.18 1.47 -0.44 0.21 0.00 0.00 175.17 175.23 1owa s SER 52 N -4.33 6.79 0.65 0.27 0.01 -1.26 -4.85 113.70 110.99 1owa s SER 52 Ca 0.56 2.15 0.44 0.00 1.31 0.00 0.00 55.95 60.41 1owa s SER 52 Cb -0.11 -2.55 2.39 0.00 0.21 0.00 0.00 66.02 65.95 1owa s SER 52 CO 0.48 -0.78 2.35 0.22 0.41 0.00 0.00 173.24 175.92 1owa h TYR 53 N 8.20 0.00 -0.84 2.43 3.20 -1.99 -2.55 116.97 125.42 1owa h TYR 53 Ca -0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1owa h TYR 53 Cb 1.18 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 1owa h TYR 53 CO 0.78 0.00 0.51 0.45 -1.64 0.00 0.00 178.16 178.26 1owa h HIS 54 N 0.00 1.10 -0.09 -3.82 3.86 -1.98 1.06 115.15 115.28 1owa h HIS 54 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1owa h HIS 54 Cb 0.00 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 1owa h HIS 54 CO 0.00 0.73 -0.10 1.25 0.86 0.00 0.00 177.93 180.67 1owa h LEU 55 N 1.15 0.25 -0.84 2.43 5.85 -1.86 -1.49 115.31 120.80 1owa h LEU 55 Ca 0.30 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1owa h LEU 55 Cb -0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1owa h LEU 55 CO -0.06 0.69 0.09 1.56 -0.34 0.00 0.00 178.44 180.38 1owa h GLN 56 N -0.19 0.96 -0.47 1.25 1.08 -1.56 0.16 115.11 116.33 1owa h GLN 56 Ca 0.01 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1owa h GLN 56 Cb 0.62 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1owa h GLN 56 CO 0.02 0.89 0.05 -0.39 -0.95 0.00 0.00 178.83 178.46 1owa h VAL 57 N 0.90 1.25 -0.72 -0.54 -1.51 0.12 1.15 116.25 116.91 1owa h VAL 57 Ca 0.18 -0.96 0.01 0.00 -1.23 0.00 0.00 66.70 64.70 1owa h VAL 57 Cb 0.41 0.96 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 1owa h VAL 57 CO 0.01 0.34 0.48 0.15 -1.23 0.00 0.00 177.57 177.32 1owa h PHE 58 N 0.66 0.91 -0.49 5.19 3.57 -0.94 0.44 116.94 126.29 1owa h PHE 58 Ca 0.14 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1owa h PHE 58 Cb 0.43 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1owa h PHE 58 CO 0.03 0.57 -0.18 0.87 -2.23 0.00 0.00 178.31 177.38 1owa h LYS 59 N 0.98 0.98 -0.63 1.11 1.57 0.78 -2.89 116.57 118.47 1owa h LYS 59 Ca 0.27 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1owa h LYS 59 Cb -0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1owa h LYS 59 CO -0.06 1.08 0.03 0.00 -0.57 0.00 0.00 179.45 179.93 1owa h ARG 60 N 0.84 1.10 -1.00 3.15 3.08 0.30 -2.92 114.38 118.92 1owa h ARG 60 Ca 0.12 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.84 1owa h ARG 60 Cb 0.75 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 1owa h ARG 60 CO 0.06 1.05 0.67 -0.44 -1.07 0.00 0.00 179.97 180.23 1owa h ASP 61 N 1.01 1.15 -0.60 7.04 3.32 -0.09 0.69 116.42 128.95 1owa h ASP 61 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1owa h ASP 61 Cb 0.53 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1owa h ASP 61 CO 0.03 0.84 0.38 0.00 -1.72 0.00 0.00 179.24 178.76 1owa h ALA 62 N 1.37 0.77 -0.02 3.45 0.00 -1.33 1.60 119.26 125.10 1owa h ALA 62 Ca 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1owa h ALA 62 Cb -0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1owa h ALA 62 CO -0.08 0.23 -0.02 0.22 0.00 0.00 0.00 179.25 179.59 1owa h ASP 63 N 0.82 0.05 -0.69 0.00 1.82 -1.26 -2.31 116.42 114.84 1owa h ASP 63 Ca 0.22 -0.55 0.01 0.00 -0.39 0.00 0.00 57.03 56.32 1owa h ASP 63 Cb -0.05 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1owa h ASP 63 CO -0.04 0.58 0.46 0.44 -1.61 0.00 0.00 179.24 179.07 1owa h ASP 64 N -0.49 0.79 -0.10 2.28 3.32 0.54 0.91 116.42 123.67 1owa h ASP 64 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1owa h ASP 64 Cb 0.58 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1owa h ASP 64 CO 0.01 0.58 0.07 0.25 -1.72 0.00 0.00 179.24 178.42 1owa h LEU 65 N 0.94 0.12 -0.92 1.55 7.12 0.24 0.61 115.31 124.96 1owa h LEU 65 Ca 0.25 -0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.15 1owa h LEU 65 Cb -0.11 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 1owa h LEU 65 CO -0.05 0.09 -0.36 1.23 -0.13 0.00 0.00 178.44 179.21 1owa h GLY 66 N 0.14 0.37 1.01 3.75 0.00 -0.80 -2.76 103.07 104.77 1owa h GLY 66 Ca 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1owa h GLY 66 CO -0.01 0.30 0.49 1.70 0.00 0.00 0.00 176.54 179.02 1owa h LYS 67 N 0.29 0.99 -1.01 4.80 3.64 0.21 -1.56 116.57 123.92 1owa h LYS 67 Ca 0.03 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1owa h LYS 67 Cb 0.78 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1owa h LYS 67 CO 0.06 0.66 0.67 2.35 -2.27 0.00 0.00 179.45 180.92 1owa h TRP 68 N 1.01 1.27 -0.70 1.91 7.01 0.45 -1.84 115.95 125.06 1owa h TRP 68 Ca 0.27 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.23 1owa h TRP 68 Cb -0.11 -0.43 -0.03 0.00 -2.10 0.00 0.00 29.16 26.50 1owa h TRP 68 CO -0.02 0.79 0.14 0.82 -2.79 0.00 0.00 178.44 177.38 1owa h ILE 69 N 1.36 1.26 -0.54 2.65 1.08 -1.25 -2.36 117.51 119.71 1owa h ILE 69 Ca 0.37 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1owa h ILE 69 Cb -0.15 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 1owa h ILE 69 CO -0.08 0.39 0.35 0.24 -0.69 0.00 0.00 178.15 178.36 1owa h MET 70 N 1.07 0.71 0.05 2.37 2.86 -0.52 0.85 114.93 122.32 1owa h MET 70 Ca 0.21 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1owa h MET 70 Cb 0.41 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1owa h MET 70 CO 0.01 0.48 -0.02 1.49 1.06 0.00 0.00 176.91 179.92 1owa h GLU 71 N 0.73 -0.07 -0.84 1.72 4.81 -1.08 -0.94 114.58 118.92 1owa h GLU 71 Ca 0.20 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1owa h GLU 71 Cb -0.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1owa h GLU 71 CO -0.04 0.45 0.38 -0.22 -0.73 0.00 0.00 179.01 178.85 1owa h LYS 72 N -0.62 1.23 -0.39 1.92 3.64 -1.15 -1.72 116.57 119.47 1owa h LYS 72 Ca -0.01 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.10 1owa h LYS 72 Cb 0.54 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1owa h LYS 72 CO 0.01 0.95 -0.07 -0.24 -2.27 0.00 0.00 179.45 177.84 1owa h VAL 73 N 1.21 1.27 -0.12 2.00 3.04 0.71 0.82 116.25 125.17 1owa h VAL 73 Ca 0.29 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 1owa h VAL 73 Cb 0.15 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 1owa h VAL 73 CO -0.03 0.38 0.08 0.78 -1.01 0.00 0.00 177.57 177.76 1owa h ASN 74 N 0.54 0.14 -0.47 3.17 4.21 -0.96 1.41 115.58 123.63 1owa h ASN 74 Ca 0.10 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.53 1owa h ASN 74 Cb 0.58 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.72 1owa h ASN 74 CO 0.03 0.12 0.09 -0.29 -1.29 0.00 0.00 177.43 176.10 1owa h ILE 75 N 0.15 1.23 -0.78 2.81 2.10 -1.26 0.34 117.51 122.11 1owa h ILE 75 Ca 0.04 -0.88 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 1owa h ILE 75 Cb -0.00 0.73 -0.04 0.00 -1.09 0.00 0.00 36.82 36.42 1owa h ILE 75 CO -0.01 0.32 0.44 0.25 -1.08 0.00 0.00 178.15 178.07 1owa h LEU 76 N 0.79 0.95 -1.02 2.19 5.85 0.21 0.14 115.31 124.43 1owa h LEU 76 Ca 0.17 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1owa h LEU 76 Cb 0.35 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1owa h LEU 76 CO 0.01 0.76 -0.47 0.71 -0.34 0.00 0.00 178.44 179.10 1owa h THR 77 N 1.07 1.28 -0.85 1.05 1.35 0.27 -3.06 112.91 114.01 1owa h THR 77 Ca 0.27 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1owa h THR 77 Cb 0.01 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 1owa h THR 77 CO -0.05 0.46 0.56 0.44 -0.25 0.00 0.00 175.52 176.69 1owa h ASP 78 N 0.00 0.99 0.22 5.36 3.32 0.17 0.12 116.42 126.59 1owa h ASP 78 Ca -0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1owa h ASP 78 Cb 0.87 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1owa h ASP 78 CO 0.06 0.72 -0.08 0.07 -1.72 0.00 0.00 179.24 178.29 1owa h LYS 79 N 1.16 0.00 -0.26 3.56 2.10 -1.29 -2.07 116.57 119.76 1owa h LYS 79 Ca 0.31 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.95 1owa h LYS 79 Cb -0.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.19 1owa h LYS 79 CO -0.07 0.08 0.13 1.03 -2.00 0.00 0.00 179.45 178.63 1owa h SER 80 N 0.00 0.33 -0.13 7.07 0.87 -0.80 -3.07 113.55 117.81 1owa h SER 80 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1owa h SER 80 Cb 0.21 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1owa h SER 80 CO 0.01 0.34 0.09 0.22 -0.53 0.00 0.00 176.83 176.96 1owa h TYR 81 N 0.29 0.17 -4.04 2.24 3.20 -1.11 -3.45 116.97 114.27 1owa h TYR 81 Ca 0.09 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.79 1owa h TYR 81 Cb 0.09 -0.06 -0.18 0.00 1.54 0.00 0.00 36.73 38.13 1owa h TYR 81 CO -0.03 0.11 -0.70 -1.21 -1.64 0.00 0.00 178.16 174.69 1owa s GLU 82 N -6.18 0.55 -0.54 1.82 2.02 -1.14 -5.11 118.70 110.13 1owa s GLU 82 Ca -0.13 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 53.92 1owa s GLU 82 Cb 0.08 0.03 0.21 0.00 0.10 0.00 0.00 34.13 34.54 1owa s GLU 82 CO 0.68 -0.05 0.51 -3.47 0.02 0.00 0.00 175.26 172.95 1owa n ASP 83 N 0.73 1.54 -4.57 -0.19 2.03 -1.25 -4.27 116.55 110.56 1owa n ASP 83 Ca -0.18 -2.91 -0.39 0.00 0.52 0.00 0.00 54.79 51.83 1owa n ASP 83 Cb 0.58 -0.65 0.03 0.00 -0.72 0.00 0.00 41.12 40.36 1owa n ASP 83 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1owa n PRO 84 N 1.83 0.95 0.00 -0.67 -0.02 -1.26 -4.88 135.00 130.95 1owa n PRO 84 Ca 0.25 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1owa n PRO 84 Cb 0.44 -1.96 0.67 0.00 -0.02 0.00 0.00 33.50 32.63 1owa n PRO 84 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1owa n THR 85 N -1.19 0.00 -2.45 3.45 5.66 -1.26 -4.79 114.28 113.71 1owa n THR 85 Ca 0.11 -0.06 -0.43 0.00 -3.05 0.00 0.00 64.05 60.62 1owa n THR 85 Cb 0.44 -0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.06 1owa n THR 85 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1owa s ASN 86 N -2.36 6.37 0.15 1.09 2.47 -1.26 -4.89 114.94 116.52 1owa s ASN 86 Ca 0.33 0.53 -0.10 0.00 0.42 0.00 0.00 52.86 54.04 1owa s ASN 86 Cb 0.20 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.44 1owa s ASN 86 CO 0.44 -1.46 1.50 0.40 -3.72 0.00 0.00 177.10 174.26 1owa h ILE 87 N 6.36 1.27 -1.01 -5.21 2.04 -1.94 -3.01 117.51 116.01 1owa h ILE 87 Ca -0.26 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.11 1owa h ILE 87 Cb 1.09 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 1owa h ILE 87 CO 1.13 0.51 0.66 -0.61 0.00 0.00 0.00 178.15 179.84 1owa h GLN 88 N 0.80 1.30 0.24 2.37 4.15 -1.97 0.76 115.11 122.76 1owa h GLN 88 Ca 0.08 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1owa h GLN 88 Cb 0.93 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1owa h GLN 88 CO 0.09 0.86 -0.12 0.78 -1.93 0.00 0.00 178.83 178.51 1owa h GLY 89 N 1.34 -0.34 1.02 2.39 0.00 -1.97 -2.11 103.07 103.41 1owa h GLY 89 Ca 0.38 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1owa h GLY 89 CO -0.09 -0.12 0.55 0.50 0.00 0.00 0.00 176.54 177.38 1owa h LYS 90 N -0.77 1.29 -0.99 4.80 1.57 -1.44 -2.51 116.57 118.52 1owa h LYS 90 Ca -0.03 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1owa h LYS 90 Cb 0.50 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1owa h LYS 90 CO 0.05 0.91 0.65 -0.92 -0.57 0.00 0.00 179.45 179.58 1owa h TYR 91 N 1.30 1.25 -0.61 -1.35 5.03 0.55 -2.57 116.97 120.58 1owa h TYR 91 Ca 0.34 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.57 1owa h TYR 91 Cb -0.04 -0.42 -0.02 0.00 1.55 0.00 0.00 36.73 37.80 1owa h TYR 91 CO 0.01 0.79 -0.01 1.96 -1.32 0.00 0.00 178.16 179.59 1owa h GLN 92 N 1.35 1.08 -0.15 1.82 4.20 -0.95 -2.00 115.11 120.47 1owa h GLN 92 Ca 0.36 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1owa h GLN 92 Cb -0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1owa h GLN 92 CO -0.08 1.06 0.10 0.87 -0.67 0.00 0.00 178.83 180.11 1owa h LYS 93 N 0.99 0.20 -0.37 1.46 1.57 -1.16 -2.34 116.57 116.92 1owa h LYS 93 Ca 0.17 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 1owa h LYS 93 Cb 0.58 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1owa h LYS 93 CO 0.03 0.13 -0.41 1.12 -0.57 0.00 0.00 179.45 179.75 1owa h HIS 94 N 0.20 1.13 -0.87 -1.35 2.07 -1.50 -2.88 115.15 111.95 1owa h HIS 94 Ca 0.05 -0.35 0.01 0.00 -2.85 0.00 0.00 60.37 57.23 1owa h HIS 94 Cb -0.02 -0.23 -0.04 0.00 2.57 0.00 0.00 27.41 29.68 1owa h HIS 94 CO -0.07 1.18 0.58 -0.56 -3.07 0.00 0.00 177.93 175.99 1owa h GLN 95 N 0.75 1.14 -0.51 5.12 3.07 -1.27 1.11 115.11 124.53 1owa h GLN 95 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 1owa h GLN 95 Cb 1.01 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 1owa h GLN 95 CO 0.10 0.76 0.18 0.66 0.09 0.00 0.00 178.83 180.62 1owa h SER 96 N 1.18 0.73 0.93 0.06 4.64 -1.43 0.46 113.55 120.11 1owa h SER 96 Ca 0.32 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1owa h SER 96 Cb -0.14 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1owa h SER 96 CO -0.07 0.72 0.00 -0.07 -0.87 0.00 0.00 176.83 176.54 1owa h LEU 97 N 0.69 0.00 -0.47 5.97 4.07 -1.14 -2.41 115.31 122.02 1owa h LEU 97 Ca 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 1owa h LEU 97 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1owa h LEU 97 CO -0.01 0.00 0.18 -0.08 -1.08 0.00 0.00 178.44 177.45 1owa h GLU 98 N 0.00 0.71 -0.32 1.13 4.81 0.35 1.39 114.58 122.66 1owa h GLU 98 Ca 0.00 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1owa h GLU 98 Cb 0.46 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1owa h GLU 98 CO 0.00 0.65 -0.34 0.00 -0.73 0.00 0.00 179.01 178.59 1owa h ALA 99 N 1.03 0.81 -0.53 2.92 0.00 -1.13 -2.69 119.26 119.66 1owa h ALA 99 Ca 0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1owa h ALA 99 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1owa h ALA 99 CO -0.01 0.65 -0.13 0.93 0.00 0.00 0.00 179.25 180.68 1owa h GLU 100 N 0.59 1.03 -0.17 0.00 5.08 -0.85 0.28 114.58 120.54 1owa h GLU 100 Ca 0.06 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1owa h GLU 100 Cb 0.86 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1owa h GLU 100 CO 0.08 1.09 0.10 -0.39 -1.00 0.00 0.00 179.01 178.88 1owa h VAL 101 N 0.91 1.08 -0.92 3.13 -1.51 0.19 0.49 116.25 119.62 1owa h VAL 101 Ca 0.13 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 1owa h VAL 101 Cb 0.71 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.74 1owa h VAL 101 CO 0.05 0.08 0.54 -0.61 -1.23 0.00 0.00 177.57 176.40 1owa h GLN 102 N 0.19 1.27 -0.20 5.19 4.15 -1.38 -1.36 115.11 122.97 1owa h GLN 102 Ca 0.06 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1owa h GLN 102 Cb 0.04 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1owa h GLN 102 CO -0.01 0.90 0.12 1.15 -1.93 0.00 0.00 178.83 179.06 1owa h THR 103 N 1.28 1.08 -0.99 2.39 2.02 0.63 -2.02 112.91 117.31 1owa h THR 103 Ca 0.33 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.32 1owa h THR 103 Cb -0.02 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1owa h THR 103 CO -0.06 0.08 0.66 0.11 0.37 0.00 0.00 175.52 176.68 1owa h LYS 104 N 0.24 1.30 -0.99 6.66 1.79 0.39 -1.87 116.57 124.08 1owa h LYS 104 Ca 0.07 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1owa h LYS 104 Cb 0.03 -0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 30.33 1owa h LYS 104 CO -0.01 0.86 0.66 1.03 -1.08 0.00 0.00 179.45 180.90 1owa h SER 105 N 1.34 1.14 -0.62 0.86 0.87 -0.92 -0.45 113.55 115.76 1owa h SER 105 Ca 0.36 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 1owa h SER 105 Cb -0.15 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.50 1owa h SER 105 CO -0.08 0.83 0.02 0.03 -0.53 0.00 0.00 176.83 177.09 1owa h ARG 106 N 1.35 1.09 0.00 2.24 3.08 -0.64 0.13 114.38 121.62 1owa h ARG 106 Ca 0.36 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1owa h ARG 106 Cb -0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 1owa h ARG 106 CO -0.08 1.05 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.80 1owa h LEU 107 N 1.00 0.00 -0.56 3.04 4.07 -0.63 1.11 115.31 123.34 1owa h LEU 107 Ca 0.18 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 1owa h LEU 107 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1owa h LEU 107 CO 0.03 0.00 -0.40 0.24 -1.08 0.00 0.00 178.44 177.23 1owa h MET 108 N 0.00 0.71 0.04 1.13 2.86 0.72 1.43 114.93 121.83 1owa h MET 108 Ca -0.00 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1owa h MET 108 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1owa h MET 108 CO 0.00 0.98 -0.02 1.03 1.06 0.00 0.00 176.91 179.96 1owa h SER 109 N 0.58 -0.04 -0.54 1.22 0.87 0.33 -1.36 113.55 114.61 1owa h SER 109 Ca 0.05 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1owa h SER 109 Cb 0.94 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1owa h SER 109 CO 0.09 0.18 0.15 -0.33 -0.53 0.00 0.00 176.83 176.38 1owa h GLU 110 N -0.27 0.91 -1.00 2.24 5.08 0.75 -2.37 114.58 119.92 1owa h GLU 110 Ca -0.01 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1owa h GLU 110 Cb 0.25 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1owa h GLU 110 CO 0.01 0.81 0.66 -0.07 -1.00 0.00 0.00 179.01 179.41 1owa h LEU 111 N 0.87 1.09 -0.23 1.33 3.38 0.23 1.03 115.31 123.01 1owa h LEU 111 Ca 0.19 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1owa h LEU 111 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1owa h LEU 111 CO -0.00 0.74 -0.10 -0.33 0.09 0.00 0.00 178.44 178.84 1owa h GLU 112 N 1.26 0.47 -0.76 1.13 5.08 -0.91 -2.30 114.58 118.55 1owa h GLU 112 Ca 0.40 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1owa h GLU 112 Cb 0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1owa h GLU 112 CO -0.13 0.74 0.50 -0.22 -1.00 0.00 0.00 179.01 178.90 1owa h LYS 113 N 0.19 1.00 -0.90 2.33 3.64 -0.88 -1.89 116.57 120.06 1owa h LYS 113 Ca 0.05 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1owa h LYS 113 Cb 0.59 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1owa h LYS 113 CO 0.03 0.67 0.60 1.15 -2.27 0.00 0.00 179.45 179.63 1owa h THR 114 N 1.03 1.23 -0.49 1.00 2.02 0.15 0.98 112.91 118.82 1owa h THR 114 Ca 0.28 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1owa h THR 114 Cb -0.11 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.18 1owa h THR 114 CO -0.06 0.22 0.32 -0.09 0.37 0.00 0.00 175.52 176.28 1owa h ARG 115 N 1.22 0.62 -0.31 6.66 9.65 -0.80 0.45 114.38 131.87 1owa h ARG 115 Ca 0.33 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 59.04 1owa h ARG 115 Cb -0.14 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.29 1owa h ARG 115 CO -0.07 0.41 -0.35 1.49 2.80 0.00 0.00 179.97 184.25 1owa h GLU 116 N 0.64 0.71 -0.77 0.20 4.57 -1.18 -3.09 114.58 115.66 1owa h GLU 116 Ca 0.19 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1owa h GLU 116 Cb -0.04 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1owa h GLU 116 CO -0.06 0.95 0.50 0.93 -1.18 0.00 0.00 179.01 180.16 1owa h GLU 117 N 0.59 1.01 -5.82 1.92 5.08 0.24 -3.42 114.58 114.19 1owa h GLU 117 Ca 0.06 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1owa h GLU 117 Cb 0.88 -0.23 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 1owa h GLU 117 CO 0.08 0.68 -0.55 1.03 -1.00 0.00 0.00 179.01 179.24 1owa s ARG 118 N -6.12 3.20 -0.44 2.33 0.52 0.14 -5.05 118.95 113.53 1owa s ARG 118 Ca -0.13 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 1owa s ARG 118 Cb 0.15 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.67 1owa s ARG 118 CO 0.78 0.74 0.70 -0.59 0.02 0.00 0.00 175.30 176.95 1owa s PHE 119 N -0.95 3.04 -0.26 -0.53 -0.12 -1.26 -4.76 117.98 113.13 1owa s PHE 119 Ca 0.14 0.02 -0.26 0.00 -0.05 0.00 0.00 56.93 56.78 1owa s PHE 119 Cb -0.12 -3.47 0.00 0.00 -0.63 0.00 0.00 43.02 38.81 1owa s PHE 119 CO 0.03 -0.92 0.91 0.95 -0.05 0.00 0.00 175.22 176.14 1owa s THR 120 N 3.00 4.75 0.07 -4.49 -4.23 -1.26 -4.93 115.64 108.54 1owa s THR 120 Ca 0.25 1.63 -0.14 0.00 -1.18 0.00 0.00 61.69 62.25 1owa s THR 120 Cb -0.13 -4.21 -0.24 0.00 1.34 0.00 0.00 72.50 69.26 1owa s THR 120 CO 0.20 -0.19 1.18 -0.03 -0.54 0.00 0.00 174.62 175.25 1owa h MET 121 N 7.76 0.70 -5.99 3.99 4.05 -2.02 -3.44 114.93 119.98 1owa h MET 121 Ca -0.22 -0.76 -0.57 0.00 -0.28 0.00 0.00 59.70 57.87 1owa h MET 121 Cb 1.08 0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 32.04 1owa h MET 121 CO 0.92 1.33 0.33 0.20 0.23 0.00 0.00 176.91 179.93 1owa s GLY 122 N -4.30 2.26 0.18 1.39 0.00 -1.26 -4.95 107.32 100.64 1owa s GLY 122 Ca -0.10 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1owa s GLY 122 CO 0.92 1.58 1.62 0.84 0.00 0.00 0.00 173.10 178.06 1owa h HIS 123 N 7.19 1.18 -0.79 1.90 2.76 -2.02 -2.91 115.15 122.47 1owa h HIS 123 Ca -0.32 -0.22 -0.05 0.00 -2.20 0.00 0.00 60.37 57.58 1owa h HIS 123 Cb 1.15 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 1owa h HIS 123 CO 0.70 1.06 0.31 0.66 -1.30 0.00 0.00 177.93 179.36 1owa h SER 124 N 0.96 1.09 -0.08 3.26 4.64 -1.99 -0.83 113.55 120.60 1owa h SER 124 Ca 0.16 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1owa h SER 124 Cb 0.62 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1owa h SER 124 CO 0.04 0.97 0.14 0.00 -0.87 0.00 0.00 176.83 177.10 1owa h ALA 125 N 1.19 1.48 -0.43 5.18 0.00 -1.92 0.10 119.26 124.85 1owa h ALA 125 Ca 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1owa h ALA 125 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1owa h ALA 125 CO -0.02 -0.18 -0.04 0.45 0.00 0.00 0.00 179.25 179.46 1owa h HIS 126 N 0.00 0.87 -0.56 0.00 -0.00 -1.07 -2.40 115.15 111.99 1owa h HIS 126 Ca 0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1owa h HIS 126 Cb 0.31 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 1owa h HIS 126 CO 0.00 0.87 0.31 0.93 -0.00 0.00 0.00 177.93 180.04 1owa h GLU 127 N 0.62 0.78 -0.49 2.45 5.08 -0.81 -0.97 114.58 121.24 1owa h GLU 127 Ca 0.12 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1owa h GLU 127 Cb 0.56 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1owa h GLU 127 CO 0.03 0.60 0.31 1.49 -1.00 0.00 0.00 179.01 180.44 1owa h GLU 128 N 0.75 0.66 -0.22 2.33 4.81 -1.39 0.12 114.58 121.65 1owa h GLU 128 Ca 0.20 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1owa h GLU 128 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1owa h GLU 128 CO -0.03 0.47 0.07 1.15 -0.73 0.00 0.00 179.01 179.93 1owa h THR 129 N 0.66 1.19 -0.59 0.32 2.02 -1.21 0.16 112.91 115.46 1owa h THR 129 Ca 0.18 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1owa h THR 129 Cb -0.03 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1owa h THR 129 CO -0.04 0.19 0.39 0.11 0.37 0.00 0.00 175.52 176.55 1owa h LYS 130 N 0.19 0.78 -0.33 6.66 1.57 -0.98 -1.82 116.57 122.64 1owa h LYS 130 Ca 0.07 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1owa h LYS 130 Cb 0.23 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1owa h LYS 130 CO -0.00 0.52 -0.40 0.00 -0.57 0.00 0.00 179.45 179.00 1owa h ALA 131 N 1.22 0.50 -0.38 3.86 0.00 -0.85 -1.84 119.26 121.77 1owa h ALA 131 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1owa h ALA 131 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1owa h ALA 131 CO -0.05 0.60 0.25 1.25 0.00 0.00 0.00 179.25 181.30 1owa h HIS 132 N 0.64 0.48 -0.37 0.00 -0.00 -0.43 -0.14 115.15 115.33 1owa h HIS 132 Ca 0.04 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.26 1owa h HIS 132 Cb 0.99 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1owa h HIS 132 CO 0.07 0.30 -0.41 0.97 -0.00 0.00 0.00 177.93 178.87 1owa h ILE 133 N 0.51 1.27 -0.81 6.26 2.10 -1.36 -2.58 117.51 122.89 1owa h ILE 133 Ca 0.14 -1.58 -0.02 0.00 1.08 0.00 0.00 64.86 64.48 1owa h ILE 133 Cb -0.06 1.43 -0.04 0.00 -1.09 0.00 0.00 36.82 37.07 1owa h ILE 133 CO -0.03 0.53 0.43 -0.33 -1.08 0.00 0.00 178.15 177.67 1owa h GLU 134 N 0.73 1.15 -0.48 2.19 5.08 -1.11 -0.70 114.58 121.44 1owa h GLU 134 Ca 0.05 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1owa h GLU 134 Cb 1.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1owa h GLU 134 CO 0.10 0.85 0.08 0.93 -1.00 0.00 0.00 179.01 179.97 1owa h GLU 135 N 1.14 0.80 -0.81 2.33 5.08 -0.98 -2.41 114.58 119.72 1owa h GLU 135 Ca 0.29 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1owa h GLU 135 Cb 0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1owa h GLU 135 CO -0.04 0.80 0.34 -0.07 -1.00 0.00 0.00 179.01 179.04 1owa h LEU 136 N 0.67 1.11 -0.87 1.33 3.38 -1.12 -2.21 115.31 117.61 1owa h LEU 136 Ca 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1owa h LEU 136 Cb 0.39 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1owa h LEU 136 CO 0.01 0.97 0.42 -0.09 0.09 0.00 0.00 178.44 179.84 1owa h ARG 137 N 1.18 1.24 -0.21 1.13 2.43 -0.92 0.67 114.38 119.89 1owa h ARG 137 Ca 0.27 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1owa h ARG 137 Cb 0.20 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1owa h ARG 137 CO -0.02 0.94 -0.01 0.45 -1.51 0.00 0.00 179.97 179.82 1owa h HIS 138 N 1.23 0.41 -0.47 2.20 3.86 -1.14 -0.19 115.15 121.05 1owa h HIS 138 Ca 0.30 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.29 1owa h HIS 138 Cb 0.11 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1owa h HIS 138 CO 0.01 0.57 -0.25 -0.07 0.86 0.00 0.00 177.93 179.06 1owa h LEU 139 N 0.13 1.03 -0.72 2.43 -0.00 -1.18 -2.97 115.31 114.03 1owa h LEU 139 Ca 0.06 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.88 57.50 1owa h LEU 139 Cb 0.41 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 1owa h LEU 139 CO 0.01 1.21 0.32 -0.25 -0.00 0.00 0.00 178.44 179.74 1owa h TRP 140 N 0.84 1.06 -0.44 1.13 7.01 0.42 -2.04 115.95 123.93 1owa h TRP 140 Ca 0.10 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1owa h TRP 140 Cb 0.83 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1owa h TRP 140 CO 0.06 0.79 0.29 -0.44 -2.79 0.00 0.00 178.44 176.35 1owa h ASP 141 N 1.01 0.50 -0.26 2.65 3.32 -0.96 0.10 116.42 122.80 1owa h ASP 141 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1owa h ASP 141 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1owa h ASP 141 CO -0.03 0.37 0.17 0.25 -1.72 0.00 0.00 179.24 178.28 1owa h LEU 142 N 0.60 0.29 -0.99 1.55 5.85 -1.36 -0.62 115.31 120.63 1owa h LEU 142 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1owa h LEU 142 Cb -0.07 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1owa h LEU 142 CO -0.03 0.21 0.62 0.25 -0.34 0.00 0.00 178.44 179.14 1owa h LEU 143 N 0.34 1.14 -0.00 2.25 5.85 -1.05 0.76 115.31 124.61 1owa h LEU 143 Ca 0.09 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1owa h LEU 143 Cb -0.04 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 1owa h LEU 143 CO -0.02 0.85 0.00 0.25 -0.34 0.00 0.00 178.44 179.18 1owa h LEU 144 N 1.33 0.00 -1.01 2.25 5.85 -0.32 0.36 115.31 123.78 1owa h LEU 144 Ca 0.35 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1owa h LEU 144 Cb -0.11 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1owa h LEU 144 CO -0.07 0.01 0.67 -0.33 -0.34 0.00 0.00 178.44 178.38 1owa h GLU 145 N -0.01 1.33 -1.01 1.25 5.08 -0.55 -0.71 114.58 119.96 1owa h GLU 145 Ca 0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1owa h GLU 145 Cb 0.01 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 28.91 1owa h GLU 145 CO -0.00 0.88 0.67 -0.07 -1.00 0.00 0.00 179.01 179.48 1owa h LEU 146 N 1.37 1.14 -0.29 1.33 4.07 0.18 0.92 115.31 124.02 1owa h LEU 146 Ca 0.37 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.25 1owa h LEU 146 Cb -0.16 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.29 1owa h LEU 146 CO -0.08 0.82 -0.02 0.74 -1.08 0.00 0.00 178.44 178.82 1owa h THR 147 N 1.35 1.27 -0.99 0.22 2.02 0.56 -1.37 112.91 115.96 1owa h THR 147 Ca 0.38 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1owa h THR 147 Cb -0.12 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1owa h THR 147 CO -0.09 0.32 0.65 -0.07 0.37 0.00 0.00 175.52 176.70 1owa h LEU 148 N 0.30 1.14 -1.00 2.58 3.38 -0.48 -1.86 115.31 119.37 1owa h LEU 148 Ca 0.08 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1owa h LEU 148 Cb 0.47 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1owa h LEU 148 CO 0.02 0.83 0.67 -0.33 0.09 0.00 0.00 178.44 179.72 1owa h GLU 149 N 1.34 1.32 -0.52 1.13 5.08 0.14 -2.37 114.58 120.70 1owa h GLU 149 Ca 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1owa h GLU 149 Cb -0.15 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.78 1owa h GLU 149 CO -0.08 0.87 0.20 -0.22 -1.00 0.00 0.00 179.01 178.79 1owa h LYS 150 N 1.36 0.79 -0.02 2.33 1.63 -0.45 -2.52 116.57 119.68 1owa h LYS 150 Ca 0.37 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1owa h LYS 150 Cb -0.16 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.35 1owa h LYS 150 CO -0.08 0.70 -0.00 0.78 -3.45 0.00 0.00 179.45 177.40 1owa h GLY 151 N 0.70 0.03 1.01 5.01 0.00 -1.00 -1.44 103.07 107.38 1owa h GLY 151 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1owa h GLY 151 CO -0.01 0.01 0.38 -0.55 0.00 0.00 0.00 176.54 176.36 1owa h ASP 152 N 0.03 0.65 0.53 0.19 3.32 -0.99 0.52 116.42 120.67 1owa h ASP 152 Ca 0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1owa h ASP 152 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1owa h ASP 152 CO 0.00 0.48 -0.46 1.56 -1.72 0.00 0.00 179.24 179.09 1owa h GLN 153 N 0.77 0.00 0.00 3.56 4.20 -1.33 -2.65 115.11 119.66 1owa h GLN 153 Ca 0.21 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1owa h GLN 153 Cb -0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1owa h GLN 153 CO -0.04 0.46 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.23 1owa h LEU 154 N 0.00 0.00 -9.57 1.46 3.38 -0.04 -3.43 115.31 107.11 1owa h LEU 154 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1owa h LEU 154 Cb 0.86 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.64 1owa h LEU 154 CO 0.06 0.28 0.77 -0.76 0.09 0.00 0.00 178.44 178.87 1owa s LEU 155 N -7.22 4.37 0.00 1.67 1.43 -0.01 -4.98 118.68 113.94 1owa s LEU 155 Ca -0.01 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1owa s LEU 155 Cb 0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1owa s LEU 155 CO 0.66 -0.70 0.00 0.54 0.23 0.00 0.00 176.35 177.08