#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 0.00 -2.47 0.03 1.02 -1.26 -4.83 120.64 113.13 1owa n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1owa n GLU 2 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1owa n GLU 2 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1owa s GLN 3 N -3.00 4.60 0.15 3.49 0.74 -1.26 -5.02 119.66 119.36 1owa s GLN 3 Ca 0.14 1.78 -0.24 0.00 0.05 0.00 0.00 55.36 57.10 1owa s GLN 3 Cb 0.19 -3.23 -0.08 0.00 1.10 0.00 0.00 33.01 30.99 1owa s GLN 3 CO 0.53 0.11 0.72 -0.06 -0.55 0.00 0.00 175.29 176.04 1owa s PHE 4 N -0.62 3.87 0.27 1.67 0.08 -1.26 -5.03 117.98 116.96 1owa s PHE 4 Ca 0.48 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.76 1owa s PHE 4 Cb -0.31 -2.69 -0.10 0.00 -0.57 0.00 0.00 43.02 39.34 1owa s PHE 4 CO 0.38 0.53 1.47 -1.25 -0.10 0.00 0.00 175.22 176.25 1owa s PRO 5 N -1.18 4.23 0.00 0.24 0.04 -1.26 -4.91 135.00 132.16 1owa s PRO 5 Ca 0.34 2.37 0.29 0.00 0.04 0.00 0.00 61.00 64.05 1owa s PRO 5 Cb -0.22 -3.08 1.24 0.00 0.04 0.00 0.00 34.50 32.48 1owa s PRO 5 CO 0.24 -0.46 1.93 1.63 0.04 0.00 0.00 177.00 180.38 1owa n LYS 6 N 2.15 0.01 -3.53 4.56 5.02 -1.26 -4.78 118.16 120.33 1owa n LYS 6 Ca 0.07 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.98 1owa n LYS 6 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1owa n LYS 6 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1owa s GLU 7 N -2.99 4.04 0.08 1.97 2.02 -1.26 -5.06 118.70 117.49 1owa s GLU 7 Ca 0.14 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 1owa s GLU 7 Cb 0.19 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1owa s GLU 7 CO 0.53 0.47 0.98 0.95 0.02 0.00 0.00 175.26 178.21 1owa s THR 8 N -0.30 4.57 -0.26 3.63 -4.23 -1.26 -5.02 115.64 112.77 1owa s THR 8 Ca 0.21 2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 62.55 1owa s THR 8 Cb -0.15 -4.29 -0.02 0.00 1.34 0.00 0.00 72.50 69.38 1owa s THR 8 CO 0.09 0.25 0.56 0.54 -0.54 0.00 0.00 174.62 175.52 1owa s VAL 9 N 0.36 5.04 -0.07 2.29 0.11 -1.26 -5.04 120.40 121.83 1owa s VAL 9 Ca 0.49 0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 60.22 1owa s VAL 9 Cb -0.23 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1owa s VAL 9 CO 0.29 0.06 0.96 -0.69 -3.33 0.00 0.00 175.10 172.40 1owa s VAL 10 N 2.39 4.84 0.06 2.04 1.01 -1.26 -5.02 120.40 124.46 1owa s VAL 10 Ca 0.23 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 1owa s VAL 10 Cb -0.16 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1owa s VAL 10 CO 0.09 0.08 1.00 -0.70 0.00 0.00 0.00 175.10 175.57 1owa s GLU 11 N 1.59 4.60 0.01 2.72 2.12 -1.26 -5.01 118.70 123.47 1owa s GLU 11 Ca 0.48 1.49 -0.30 0.00 0.36 0.00 0.00 54.97 57.00 1owa s GLU 11 Cb -0.19 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1owa s GLU 11 CO 0.21 0.04 1.03 0.45 -0.54 0.00 0.00 175.26 176.44 1owa s SER 12 N 0.57 7.31 -1.56 -1.70 0.15 -1.26 -3.51 113.70 113.69 1owa s SER 12 Ca 0.51 1.74 -0.05 0.00 0.70 0.00 0.00 55.95 58.85 1owa s SER 12 Cb -0.23 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.51 1owa s SER 12 CO 0.29 -0.31 0.64 -1.20 1.20 0.00 0.00 173.24 173.87 1owa n SER 13 N 3.90 -6.19 0.00 5.45 7.64 -1.26 -4.88 113.62 118.29 1owa n SER 13 Ca 0.07 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1owa n SER 13 Cb 0.50 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 1owa n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1owa n GLY 14 N -1.56 0.15 3.75 0.23 0.00 -1.23 -5.02 105.19 101.51 1owa n GLY 14 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1owa n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1owa s PRO 15 N 0.00 4.81 -1.35 1.61 0.04 -1.26 -3.94 135.00 134.91 1owa s PRO 15 Ca 0.00 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 1owa s PRO 15 Cb 0.00 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1owa s PRO 15 CO 0.00 0.45 1.18 1.63 0.04 0.00 0.00 177.00 180.30 1owa n LYS 16 N 1.79 -7.92 -2.65 4.56 4.76 -1.26 -4.91 118.16 112.53 1owa n LYS 16 Ca -0.01 0.83 -0.43 0.00 -2.87 0.00 0.00 58.31 55.82 1owa n LYS 16 Cb 0.48 -5.87 -0.02 0.00 -1.84 0.00 0.00 35.03 27.78 1owa n LYS 16 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1owa s VAL 17 N -3.32 4.54 -0.58 -0.18 1.01 -1.25 -4.98 120.40 115.64 1owa s VAL 17 Ca 0.58 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 64.05 1owa s VAL 17 Cb -0.26 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1owa s VAL 17 CO 0.72 -0.44 1.19 -0.22 0.00 0.00 0.00 175.10 176.36 1owa s LEU 18 N 3.58 3.45 -0.25 3.92 0.20 -1.26 -4.97 118.68 123.36 1owa s LEU 18 Ca 0.45 0.10 0.01 0.00 0.69 0.00 0.00 54.13 55.38 1owa s LEU 18 Cb -0.13 -3.16 0.06 0.00 -0.43 0.00 0.00 46.19 42.54 1owa s LEU 18 CO 0.14 -1.48 -0.07 -1.83 -0.29 0.00 0.00 176.35 172.82 1owa s GLU 19 N 4.96 1.80 0.29 1.98 -1.05 -1.26 -5.08 118.70 120.33 1owa s GLU 19 Ca 0.43 -1.12 -0.14 0.00 -0.15 0.00 0.00 54.97 53.99 1owa s GLU 19 Cb -0.07 -2.69 -0.08 0.00 -0.44 0.00 0.00 34.13 30.84 1owa s GLU 19 CO 0.25 -0.60 0.68 0.99 0.95 0.00 0.00 175.26 177.53 1owa s THR 20 N 1.30 4.75 0.07 1.83 2.01 -1.26 -4.92 115.64 119.42 1owa s THR 20 Ca -0.06 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 1owa s THR 20 Cb -0.19 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1owa s THR 20 CO -0.06 -0.13 1.55 0.00 -0.69 0.00 0.00 174.62 175.29 1owa h ALA 21 N 2.39 0.21 -0.26 7.40 0.00 -1.99 1.08 119.26 128.10 1owa h ALA 21 Ca -0.48 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1owa h ALA 21 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1owa h ALA 21 CO 0.66 -0.15 -0.41 0.93 0.00 0.00 0.00 179.25 180.29 1owa h GLU 22 N 0.05 0.73 -0.20 0.00 5.08 -1.96 1.35 114.58 119.63 1owa h GLU 22 Ca 0.05 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1owa h GLU 22 Cb 0.28 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1owa h GLU 22 CO 0.00 1.06 0.13 1.49 -1.00 0.00 0.00 179.01 180.69 1owa h GLU 23 N 0.46 0.26 -0.31 2.33 4.81 -1.90 1.08 114.58 121.31 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 1.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1owa h GLU 23 CO 0.09 0.18 -0.22 0.82 -0.73 0.00 0.00 179.01 179.15 1owa h ILE 24 N 0.26 1.30 -0.92 2.32 2.04 0.13 -2.52 117.51 120.12 1owa h ILE 24 Ca 0.07 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.58 1owa h ILE 24 Cb -0.02 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1owa h ILE 24 CO -0.02 0.44 0.61 -0.61 0.00 0.00 0.00 178.15 178.57 1owa h GLN 25 N 0.45 1.21 -0.52 2.37 4.15 0.23 1.08 115.11 124.07 1owa h GLN 25 Ca 0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1owa h GLN 25 Cb 0.77 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1owa h GLN 25 CO 0.06 0.81 0.31 0.93 -1.93 0.00 0.00 178.83 179.00 1owa h GLU 26 N 1.25 0.72 -0.26 1.69 5.08 0.13 0.27 114.58 123.45 1owa h GLU 26 Ca 0.34 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1owa h GLU 26 Cb -0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1owa h GLU 26 CO -0.07 0.53 -0.39 0.00 -1.00 0.00 0.00 179.01 178.08 1owa h ARG 27 N 0.70 0.60 -0.34 2.33 2.47 -0.97 -2.71 114.38 116.46 1owa h ARG 27 Ca 0.19 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1owa h ARG 27 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 1owa h ARG 27 CO -0.03 0.89 0.23 -0.09 0.56 0.00 0.00 179.97 181.52 1owa h ARG 28 N 0.49 0.45 -0.76 0.04 2.43 0.24 -0.40 114.38 116.87 1owa h ARG 28 Ca 0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1owa h ARG 28 Cb 0.89 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1owa h ARG 28 CO 0.08 0.30 0.31 -0.56 -1.51 0.00 0.00 179.97 178.59 1owa h GLN 29 N 0.46 1.14 -0.61 0.20 3.07 -0.45 -2.34 115.11 116.57 1owa h GLN 29 Ca 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 1owa h GLN 29 Cb -0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 27.48 27.29 1owa h GLN 29 CO -0.03 0.92 0.28 1.49 0.09 0.00 0.00 178.83 181.59 1owa h GLU 30 N 1.10 0.89 -0.27 0.06 4.81 -1.14 -2.30 114.58 117.72 1owa h GLU 30 Ca 0.26 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1owa h GLU 30 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1owa h GLU 30 CO -0.02 0.72 0.18 0.28 -0.73 0.00 0.00 179.01 179.44 1owa h VAL 31 N 0.84 1.07 -0.93 0.32 2.07 -0.79 -1.36 116.25 117.48 1owa h VAL 31 Ca 0.21 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1owa h VAL 31 Cb 0.14 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1owa h VAL 31 CO -0.02 0.07 0.62 -0.07 0.02 0.00 0.00 177.57 178.18 1owa h LEU 32 N 0.37 1.07 -0.78 2.57 3.38 -1.25 -2.15 115.31 118.51 1owa h LEU 32 Ca 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1owa h LEU 32 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1owa h LEU 32 CO -0.02 0.77 0.28 0.74 0.09 0.00 0.00 178.44 180.30 1owa h THR 33 N 1.26 1.26 -0.81 0.22 2.02 -1.06 -2.78 112.91 113.03 1owa h THR 33 Ca 0.34 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1owa h THR 33 Cb -0.14 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1owa h THR 33 CO -0.08 0.35 0.39 0.03 0.37 0.00 0.00 175.52 176.58 1owa h ARG 34 N 1.14 1.17 -0.94 6.66 3.08 -0.65 -1.85 114.38 122.99 1owa h ARG 34 Ca 0.26 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1owa h ARG 34 Cb 0.26 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1owa h ARG 34 CO -0.01 0.90 0.63 1.88 -1.07 0.00 0.00 179.97 182.29 1owa h TYR 35 N 1.15 1.19 -0.55 3.04 0.05 -1.15 -1.17 116.97 119.53 1owa h TYR 35 Ca 0.28 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.97 1owa h TYR 35 Cb 0.12 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1owa h TYR 35 CO 0.01 0.74 -0.11 1.96 -1.05 0.00 0.00 178.16 179.72 1owa h GLN 36 N 1.28 1.05 -0.82 4.88 1.08 -1.28 -1.93 115.11 119.37 1owa h GLN 36 Ca 0.35 -0.39 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1owa h GLN 36 Cb -0.15 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 1owa h GLN 36 CO -0.08 1.09 0.35 1.03 -0.95 0.00 0.00 178.83 180.27 1owa h SER 37 N 0.93 1.11 -0.16 1.46 0.87 -0.78 0.95 113.55 117.93 1owa h SER 37 Ca 0.14 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1owa h SER 37 Cb 0.69 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1owa h SER 37 CO 0.05 0.97 0.01 -0.26 -0.53 0.00 0.00 176.83 177.07 1owa h PHE 38 N 1.18 0.29 -0.73 2.24 0.04 -1.10 0.13 116.94 118.99 1owa h PHE 38 Ca 0.28 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 1owa h PHE 38 Cb 0.19 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1owa h PHE 38 CO 0.02 0.47 0.38 -0.22 -0.60 0.00 0.00 178.31 178.36 1owa h LYS 39 N 0.03 1.03 -0.74 1.51 3.64 -1.08 -2.22 116.57 118.74 1owa h LYS 39 Ca 0.05 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1owa h LYS 39 Cb 0.34 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1owa h LYS 39 CO 0.01 0.77 0.49 1.49 -2.27 0.00 0.00 179.45 179.94 1owa h GLU 40 N 1.03 0.98 -0.84 1.90 4.81 0.15 -1.11 114.58 121.50 1owa h GLU 40 Ca 0.26 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1owa h GLU 40 Cb 0.06 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1owa h GLU 40 CO -0.04 0.65 0.42 -0.09 -0.73 0.00 0.00 179.01 179.22 1owa h ARG 41 N 1.01 1.19 -0.63 1.92 2.43 -0.39 -2.27 114.38 117.65 1owa h ARG 41 Ca 0.27 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1owa h ARG 41 Cb -0.12 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.19 1owa h ARG 41 CO -0.06 0.90 0.05 0.28 -1.51 0.00 0.00 179.97 179.64 1owa h VAL 42 N 1.18 1.26 -0.61 0.20 2.07 -1.04 -2.76 116.25 116.56 1owa h VAL 42 Ca 0.29 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1owa h VAL 42 Cb 0.09 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1owa h VAL 42 CO -0.04 0.40 0.39 0.00 0.02 0.00 0.00 177.57 178.34 1owa h ALA 43 N 1.01 0.77 -0.18 1.67 0.00 -0.83 -1.00 119.26 120.70 1owa h ALA 43 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1owa h ALA 43 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1owa h ALA 43 CO 0.02 0.22 0.12 1.49 0.00 0.00 0.00 179.25 181.10 1owa h GLU 44 N 0.82 0.24 -1.00 0.00 4.81 -1.28 -2.52 114.58 115.65 1owa h GLU 44 Ca 0.22 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1owa h GLU 44 Cb -0.07 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1owa h GLU 44 CO -0.05 0.16 0.66 0.00 -0.73 0.00 0.00 179.01 179.06 1owa h ARG 45 N 0.25 1.31 0.00 1.92 3.08 -1.25 -3.44 114.38 116.24 1owa h ARG 45 Ca 0.07 -0.08 -0.39 0.00 0.07 0.00 0.00 59.98 59.65 1owa h ARG 45 Cb -0.03 -0.29 0.09 0.00 0.08 0.00 0.00 29.97 29.82 1owa h ARG 45 CO -0.01 0.86 0.16 0.41 -1.07 0.00 0.00 179.97 180.32 1owa n GLY 46 N -1.38 0.18 3.64 0.04 0.00 -0.40 -5.02 105.19 102.26 1owa n GLY 46 Ca 0.12 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1owa n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1owa s GLN 47 N -4.89 3.98 0.48 1.61 -2.07 -1.26 -4.88 119.66 112.64 1owa s GLN 47 Ca 0.58 1.28 -0.15 0.00 -1.82 0.00 0.00 55.36 55.26 1owa s GLN 47 Cb -0.03 -3.84 -0.07 0.00 -1.09 0.00 0.00 33.01 27.98 1owa s GLN 47 CO 0.39 -1.03 0.92 0.15 -1.32 0.00 0.00 175.29 174.41 1owa s LYS 48 N 3.99 3.89 0.00 9.60 1.02 -1.26 -4.94 119.74 132.04 1owa s LYS 48 Ca 0.54 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.34 1owa s LYS 48 Cb -0.17 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1owa s LYS 48 CO 0.21 -0.20 0.00 1.28 -0.92 0.00 0.00 175.35 175.71 1owa n LEU 49 N -1.51 0.00 -1.21 3.17 4.77 -1.26 -5.14 117.00 115.81 1owa n LEU 49 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1owa n LEU 49 Cb 0.54 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1owa n LEU 49 CO 0.47 -0.17 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.72 1owa n GLU 50 N -1.85 -0.13 -2.81 3.23 1.02 -1.26 -5.02 120.64 113.82 1owa n GLU 50 Ca 0.00 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.38 1owa n GLU 50 Cb 0.00 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.02 7.06 0.62 1.62 1.01 -1.26 -5.03 116.67 120.67 1owa s ASP 51 Ca -0.00 1.73 -0.17 0.00 0.71 0.00 0.00 52.55 54.82 1owa s ASP 51 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1owa s ASP 51 CO 0.01 -0.27 1.12 -0.94 0.21 0.00 0.00 175.17 175.29 1owa s SER 52 N -2.01 5.34 0.53 0.27 1.04 -1.26 -4.92 113.70 112.69 1owa s SER 52 Ca 0.58 2.06 0.31 0.00 0.48 0.00 0.00 55.95 59.38 1owa s SER 52 Cb -0.12 -2.56 1.47 0.00 0.10 0.00 0.00 66.02 64.91 1owa s SER 52 CO 0.16 -1.48 2.04 1.88 0.98 0.00 0.00 173.24 176.83 1owa h TYR 53 N 0.46 0.00 -1.00 5.02 0.05 -2.00 -3.01 116.97 116.49 1owa h TYR 53 Ca -0.48 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.31 1owa h TYR 53 Cb 1.25 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.94 1owa h TYR 53 CO 0.53 0.09 0.66 0.45 -1.05 0.00 0.00 178.16 178.85 1owa h HIS 54 N 0.00 1.27 -0.48 4.88 3.86 -1.97 0.86 115.15 123.57 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 0.41 -0.43 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1owa h HIS 54 CO 0.00 0.80 0.31 1.25 0.86 0.00 0.00 177.93 181.15 1owa h LEU 55 N 1.36 0.55 -1.12 2.43 5.85 -1.92 0.53 115.31 122.99 1owa h LEU 55 Ca 0.37 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 1owa h LEU 55 Cb -0.15 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1owa h LEU 55 CO -0.08 0.40 0.04 1.56 -0.34 0.00 0.00 178.44 180.02 1owa h GLN 56 N 0.65 0.65 -0.57 1.25 4.20 -1.42 0.57 115.11 120.44 1owa h GLN 56 Ca 0.17 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1owa h GLN 56 Cb -0.07 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1owa h GLN 56 CO -0.04 0.65 0.32 0.28 -0.67 0.00 0.00 178.83 179.37 1owa h VAL 57 N 0.63 1.18 -0.97 -0.54 2.07 0.28 1.29 116.25 120.19 1owa h VAL 57 Ca 0.13 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1owa h VAL 57 Cb 0.34 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1owa h VAL 57 CO 0.01 0.19 0.64 0.15 0.02 0.00 0.00 177.57 178.59 1owa h PHE 58 N 0.77 1.22 -0.73 1.57 3.57 0.74 0.27 116.94 124.36 1owa h PHE 58 Ca 0.20 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1owa h PHE 58 Cb 0.02 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 1owa h PHE 58 CO -0.02 0.77 0.19 0.87 -2.23 0.00 0.00 178.31 177.90 1owa h LYS 59 N 1.32 1.15 -0.65 1.11 1.57 0.14 -2.67 116.57 118.55 1owa h LYS 59 Ca 0.36 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1owa h LYS 59 Cb -0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1owa h LYS 59 CO -0.08 1.00 0.27 0.00 -0.57 0.00 0.00 179.45 180.07 1owa h ARG 60 N 1.10 0.96 -0.83 3.15 2.47 0.34 -2.80 114.38 118.77 1owa h ARG 60 Ca 0.23 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1owa h ARG 60 Cb 0.36 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1owa h ARG 60 CO -0.00 0.80 0.36 -0.44 0.56 0.00 0.00 179.97 181.25 1owa h ASP 61 N 0.91 1.11 -1.00 7.04 3.32 -0.84 -1.71 116.42 125.24 1owa h ASP 61 Ca 0.22 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1owa h ASP 61 Cb 0.19 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1owa h ASP 61 CO -0.02 0.96 0.66 0.00 -1.72 0.00 0.00 179.24 179.11 1owa h ALA 62 N 1.20 1.28 0.18 3.45 0.00 -1.25 1.25 119.26 125.37 1owa h ALA 62 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1owa h ALA 62 Cb 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1owa h ALA 62 CO -0.03 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.36 1owa h ASP 63 N 1.36 -0.21 -0.91 0.00 3.32 -1.23 0.17 116.42 118.92 1owa h ASP 63 Ca 0.36 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1owa h ASP 63 Cb -0.15 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1owa h ASP 63 CO -0.08 0.24 0.60 0.44 -1.72 0.00 0.00 179.24 178.72 1owa h ASP 64 N -0.70 1.05 0.00 6.45 3.32 -1.17 0.78 116.42 126.14 1owa h ASP 64 Ca -0.02 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1owa h ASP 64 Cb 0.50 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1owa h ASP 64 CO 0.04 0.76 -0.00 0.25 -1.72 0.00 0.00 179.24 178.57 1owa h LEU 65 N 1.24 -0.00 -1.40 1.55 5.85 0.17 0.10 115.31 122.81 1owa h LEU 65 Ca 0.33 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1owa h LEU 65 Cb -0.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1owa h LEU 65 CO -0.07 0.00 -0.00 1.23 -0.34 0.00 0.00 178.44 179.26 1owa h GLY 66 N -0.01 0.42 1.01 3.75 0.00 0.14 -1.56 103.07 106.82 1owa h GLY 66 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1owa h GLY 66 CO 0.00 0.21 0.67 0.50 0.00 0.00 0.00 176.54 177.93 1owa h LYS 67 N 0.38 1.33 -0.79 4.80 1.57 0.18 -2.27 116.57 121.77 1owa h LYS 67 Ca 0.09 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1owa h LYS 67 Cb 0.26 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1owa h LYS 67 CO 0.01 0.88 0.51 2.35 -0.57 0.00 0.00 179.45 182.63 1owa h TRP 68 N 1.37 0.97 -0.65 -1.35 7.01 0.20 0.18 115.95 123.67 1owa h TRP 68 Ca 0.37 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.36 1owa h TRP 68 Cb -0.16 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.55 1owa h TRP 68 CO -0.00 0.58 0.27 0.82 -2.79 0.00 0.00 178.44 177.32 1owa h ILE 69 N 1.02 1.23 -0.35 2.65 2.04 -1.33 -2.03 117.51 120.76 1owa h ILE 69 Ca 0.31 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1owa h ILE 69 Cb -0.05 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1owa h ILE 69 CO -0.09 0.28 0.20 0.24 0.00 0.00 0.00 178.15 178.78 1owa h MET 70 N 0.90 0.47 -0.20 2.37 2.86 -0.82 -0.78 114.93 119.73 1owa h MET 70 Ca 0.22 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1owa h MET 70 Cb 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1owa h MET 70 CO -0.02 0.34 0.06 0.93 1.06 0.00 0.00 176.91 179.28 1owa h GLU 71 N 0.48 0.30 -0.98 1.72 4.39 -0.28 1.15 114.58 121.37 1owa h GLU 71 Ca 0.13 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1owa h GLU 71 Cb -0.00 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1owa h GLU 71 CO -0.02 0.40 0.62 -0.22 -1.16 0.00 0.00 179.01 178.63 1owa h LYS 72 N 0.15 1.31 -0.38 2.33 3.64 -1.02 0.11 116.57 122.72 1owa h LYS 72 Ca 0.06 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1owa h LYS 72 Cb 0.22 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1owa h LYS 72 CO -0.00 0.89 -0.40 -0.39 -2.27 0.00 0.00 179.45 177.28 1owa h VAL 73 N 1.34 1.27 -0.44 2.00 -1.51 -0.58 -1.71 116.25 116.63 1owa h VAL 73 Ca 0.35 -1.58 -0.02 0.00 -1.23 0.00 0.00 66.70 64.23 1owa h VAL 73 Cb -0.11 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 1owa h VAL 73 CO -0.07 0.53 0.20 0.78 -1.23 0.00 0.00 177.57 177.77 1owa h ASN 74 N 0.76 0.58 -0.52 4.19 2.35 0.21 0.44 115.58 123.59 1owa h ASN 74 Ca 0.06 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1owa h ASN 74 Cb 1.00 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1owa h ASN 74 CO 0.10 0.56 0.19 -0.29 -1.65 0.00 0.00 177.43 176.34 1owa h ILE 75 N 0.56 1.21 -0.76 2.81 2.10 -0.79 1.16 117.51 123.81 1owa h ILE 75 Ca 0.15 -0.71 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 1owa h ILE 75 Cb 0.14 0.57 -0.04 0.00 -1.09 0.00 0.00 36.82 36.41 1owa h ILE 75 CO -0.02 0.28 0.39 -0.07 -1.08 0.00 0.00 178.15 177.65 1owa h LEU 76 N 0.82 0.97 -0.77 2.19 3.38 -0.30 -0.08 115.31 121.52 1owa h LEU 76 Ca 0.19 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1owa h LEU 76 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1owa h LEU 76 CO -0.01 0.81 -0.38 0.74 0.09 0.00 0.00 178.44 179.69 1owa h THR 77 N 1.05 1.30 -0.91 0.22 2.02 0.10 -3.09 112.91 113.61 1owa h THR 77 Ca 0.26 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1owa h THR 77 Cb 0.08 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1owa h THR 77 CO -0.04 0.47 0.60 0.44 0.37 0.00 0.00 175.52 177.37 1owa h ASP 78 N 0.40 1.04 0.07 4.18 3.32 0.31 0.48 116.42 126.22 1owa h ASP 78 Ca 0.04 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1owa h ASP 78 Cb 0.85 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1owa h ASP 78 CO 0.07 0.75 -0.03 0.07 -1.72 0.00 0.00 179.24 178.38 1owa h LYS 79 N 1.23 0.00 -0.29 3.56 2.10 -1.06 -1.76 116.57 120.36 1owa h LYS 79 Ca 0.33 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.96 1owa h LYS 79 Cb -0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 1owa h LYS 79 CO -0.07 0.03 0.09 0.77 -2.00 0.00 0.00 179.45 178.27 1owa h SER 80 N 0.00 0.42 -0.15 7.07 0.02 -0.94 -3.16 113.55 116.81 1owa h SER 80 Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1owa h SER 80 Cb 0.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1owa h SER 80 CO 0.00 0.50 0.10 0.22 -1.14 0.00 0.00 176.83 176.52 1owa h TYR 81 N 0.31 0.19 -3.98 3.45 5.03 -1.13 -3.43 116.97 117.40 1owa h TYR 81 Ca 0.09 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 61.06 1owa h TYR 81 Cb 0.23 -0.06 -0.26 0.00 1.55 0.00 0.00 36.73 38.19 1owa h TYR 81 CO 0.00 0.12 -0.76 -2.00 -1.32 0.00 0.00 178.16 174.20 1owa s GLU 82 N -6.18 0.62 0.10 1.82 2.12 -1.11 -5.12 118.70 110.96 1owa s GLU 82 Ca -0.13 -0.46 -0.31 0.00 0.36 0.00 0.00 54.97 54.43 1owa s GLU 82 Cb 0.08 -0.56 -0.08 0.00 0.26 0.00 0.00 34.13 33.83 1owa s GLU 82 CO 0.68 0.14 1.40 0.16 -0.54 0.00 0.00 175.26 177.11 1owa s ASP 83 N -0.66 6.81 0.61 -1.70 -4.77 -1.25 -4.35 116.67 111.37 1owa s ASP 83 Ca -0.00 2.32 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 1owa s ASP 83 Cb -0.05 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1owa s ASP 83 CO 0.00 -0.67 0.00 -0.81 0.70 0.00 0.00 175.17 174.39 1owa n PRO 84 N 4.13 0.28 -2.82 2.11 -0.04 -1.26 -5.02 135.00 132.39 1owa n PRO 84 Ca 0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 1owa n PRO 84 Cb 0.42 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 1owa n PRO 84 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1owa s THR 85 N -0.61 4.29 -0.16 0.52 2.01 -1.26 -4.97 115.64 115.46 1owa s THR 85 Ca 0.00 1.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.67 1owa s THR 85 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1owa s THR 85 CO 0.00 0.45 1.19 0.20 -0.69 0.00 0.00 174.62 175.77 1owa s ASN 86 N -0.81 7.01 0.00 3.53 0.01 -1.26 -2.40 114.94 121.03 1owa s ASN 86 Ca 0.41 1.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.20 1owa s ASN 86 Cb -0.24 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.87 1owa s ASN 86 CO 0.29 -0.69 0.00 -0.38 -1.51 0.00 0.00 177.10 174.81 1owa n ILE 87 N 5.18 0.00 -0.31 0.60 5.41 -1.26 -4.22 119.36 124.77 1owa n ILE 87 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.84 1owa n ILE 87 Cb 0.46 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.46 1owa n ILE 87 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1owa h GLN 88 N 0.00 1.11 0.02 0.38 4.20 -2.01 -2.27 115.11 116.54 1owa h GLN 88 Ca 0.00 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1owa h GLN 88 Cb 0.00 -0.25 0.02 0.00 0.30 0.00 0.00 27.48 27.55 1owa h GLN 88 CO 0.00 0.74 -1.01 0.78 -0.67 0.00 0.00 178.83 178.67 1owa h GLY 89 N 1.14 0.73 1.00 3.46 0.00 -1.64 -2.97 103.07 104.77 1owa h GLY 89 Ca 0.31 -1.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.33 1owa h GLY 89 CO -0.07 1.16 -0.01 1.70 0.00 0.00 0.00 176.54 179.32 1owa h LYS 90 N 0.30 -0.02 -0.34 4.80 3.64 -1.40 -0.81 116.57 122.74 1owa h LYS 90 Ca -0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1owa h LYS 90 Cb 1.67 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 1owa h LYS 90 CO 0.20 -0.01 0.01 0.10 -2.27 0.00 0.00 179.45 177.48 1owa h TYR 91 N -0.02 0.54 0.20 1.91 -0.00 -1.53 -1.75 116.97 116.32 1owa h TYR 91 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 58.73 58.67 1owa h TYR 91 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 36.59 1owa h TYR 91 CO -0.08 0.52 -0.10 0.37 -0.00 0.00 0.00 178.16 178.87 1owa h GLN 92 N 0.51 -0.26 -0.41 0.10 4.15 -1.25 0.81 115.11 118.76 1owa h GLN 92 Ca 0.11 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1owa h GLN 92 Cb 0.31 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1owa h GLN 92 CO 0.01 -0.15 0.25 0.87 -1.93 0.00 0.00 178.83 177.88 1owa h LYS 93 N -0.30 0.55 -0.62 1.69 6.56 -0.94 -1.97 116.57 121.54 1owa h LYS 93 Ca -0.03 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1owa h LYS 93 Cb 0.23 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1owa h LYS 93 CO 0.05 0.40 0.34 0.45 -2.06 0.00 0.00 179.45 178.62 1owa h HIS 94 N 0.54 0.85 -0.37 -1.35 3.86 -1.20 -1.29 115.15 116.19 1owa h HIS 94 Ca 0.15 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1owa h HIS 94 Cb -0.02 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1owa h HIS 94 CO -0.04 0.61 0.22 0.37 0.86 0.00 0.00 177.93 179.96 1owa h GLN 95 N 0.85 0.51 -0.53 2.45 4.15 -0.61 0.25 115.11 122.18 1owa h GLN 95 Ca 0.22 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1owa h GLN 95 Cb 0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1owa h GLN 95 CO -0.04 0.39 0.25 0.66 -1.93 0.00 0.00 178.83 178.16 1owa h SER 96 N 0.49 0.69 0.29 -0.69 4.64 -1.18 0.82 113.55 118.61 1owa h SER 96 Ca 0.13 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1owa h SER 96 Cb 0.01 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1owa h SER 96 CO -0.02 0.63 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.42 1owa h LEU 97 N 0.71 0.00 -0.33 5.97 3.38 -0.93 0.61 115.31 124.71 1owa h LEU 97 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1owa h LEU 97 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1owa h LEU 97 CO -0.02 0.08 0.02 -0.08 0.09 0.00 0.00 178.44 178.53 1owa h GLU 98 N 0.00 0.57 -0.29 1.13 4.81 0.19 0.18 114.58 121.17 1owa h GLU 98 Ca -0.00 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 1owa h GLU 98 Cb 0.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1owa h GLU 98 CO 0.01 0.68 -0.38 0.00 -0.73 0.00 0.00 179.01 178.59 1owa h ALA 99 N 0.86 0.79 -0.88 2.92 0.00 -0.58 -2.78 119.26 119.60 1owa h ALA 99 Ca 0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1owa h ALA 99 Cb 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1owa h ALA 99 CO 0.01 0.65 0.46 0.93 0.00 0.00 0.00 179.25 181.31 1owa h GLU 100 N 0.55 1.23 0.00 0.00 5.08 -0.52 0.70 114.58 121.63 1owa h GLU 100 Ca 0.05 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1owa h GLU 100 Cb 0.90 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1owa h GLU 100 CO 0.08 0.91 -0.00 0.28 -1.00 0.00 0.00 179.01 179.28 1owa h VAL 101 N 1.23 1.08 -0.87 3.13 2.07 -0.51 0.75 116.25 123.12 1owa h VAL 101 Ca 0.31 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1owa h VAL 101 Cb 0.05 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1owa h VAL 101 CO -0.05 0.06 0.51 -0.61 0.02 0.00 0.00 177.57 177.50 1owa h GLN 102 N -0.11 1.20 -0.08 1.57 4.15 -1.21 0.13 115.11 120.75 1owa h GLN 102 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1owa h GLN 102 Cb 0.11 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1owa h GLN 102 CO 0.00 0.85 -0.01 1.15 -1.93 0.00 0.00 178.83 178.90 1owa h THR 103 N 1.21 1.26 -0.91 2.39 2.02 0.11 -2.57 112.91 116.41 1owa h THR 103 Ca 0.31 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1owa h THR 103 Cb -0.02 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1owa h THR 103 CO -0.05 0.23 0.56 0.50 0.37 0.00 0.00 175.52 177.13 1owa h LYS 104 N -0.15 1.23 -1.01 6.66 3.11 0.74 -2.30 116.57 124.86 1owa h LYS 104 Ca 0.02 -0.10 0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1owa h LYS 104 Cb 0.37 -0.26 -0.06 0.00 -1.00 0.00 0.00 32.23 31.27 1owa h LYS 104 CO 0.01 0.85 0.66 1.03 -2.81 0.00 0.00 179.45 179.18 1owa h SER 105 N 1.26 1.08 -0.75 4.20 0.87 -0.85 -0.02 113.55 119.33 1owa h SER 105 Ca 0.33 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1owa h SER 105 Cb -0.07 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 1owa h SER 105 CO -0.06 0.72 0.24 -0.09 -0.53 0.00 0.00 176.83 177.10 1owa h ARG 106 N 1.24 1.17 -0.19 2.24 2.43 -1.01 0.89 114.38 121.15 1owa h ARG 106 Ca 0.41 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1owa h ARG 106 Cb 0.07 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1owa h ARG 106 CO -0.14 0.99 0.10 -0.07 -1.51 0.00 0.00 179.97 179.34 1owa h LEU 107 N 1.12 0.23 -0.53 3.80 3.38 -1.05 0.93 115.31 123.19 1owa h LEU 107 Ca 0.24 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1owa h LEU 107 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1owa h LEU 107 CO -0.01 0.19 -0.36 -0.03 0.09 0.00 0.00 178.44 178.32 1owa h MET 108 N 0.27 0.80 0.07 1.13 4.05 0.13 1.37 114.93 122.75 1owa h MET 108 Ca 0.07 -0.40 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1owa h MET 108 Cb 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1owa h MET 108 CO -0.01 1.03 -0.04 0.66 0.23 0.00 0.00 176.91 178.78 1owa h SER 109 N 0.66 -0.08 -0.58 1.39 4.64 0.59 0.22 113.55 120.38 1owa h SER 109 Ca 0.06 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 1owa h SER 109 Cb 0.92 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1owa h SER 109 CO 0.08 0.09 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.79 1owa h GLU 110 N -0.26 1.05 -0.97 4.77 5.08 0.67 -1.54 114.58 123.37 1owa h GLU 110 Ca -0.01 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1owa h GLU 110 Cb 0.22 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1owa h GLU 110 CO 0.02 1.03 0.64 1.25 -1.00 0.00 0.00 179.01 180.95 1owa h LEU 111 N 0.95 1.12 -0.22 1.33 5.85 0.21 1.00 115.31 125.56 1owa h LEU 111 Ca 0.17 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1owa h LEU 111 Cb 0.58 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1owa h LEU 111 CO 0.03 0.81 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.73 1owa h GLU 112 N 1.32 0.48 -0.96 1.25 4.81 -0.35 -1.96 114.58 119.17 1owa h GLU 112 Ca 0.36 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1owa h GLU 112 Cb -0.15 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1owa h GLU 112 CO -0.08 0.77 0.63 0.87 -0.73 0.00 0.00 179.01 180.48 1owa h LYS 113 N 0.17 1.26 -1.01 1.92 1.57 -0.82 -1.96 116.57 117.70 1owa h LYS 113 Ca 0.04 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1owa h LYS 113 Cb 0.65 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1owa h LYS 113 CO 0.04 0.84 0.67 1.15 -0.57 0.00 0.00 179.45 181.57 1owa h THR 114 N 1.30 1.26 -0.46 -0.16 2.02 0.14 1.02 112.91 118.03 1owa h THR 114 Ca 0.35 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1owa h THR 114 Cb -0.15 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.01 1owa h THR 114 CO -0.08 0.25 0.31 -0.09 0.37 0.00 0.00 175.52 176.28 1owa h ARG 115 N 1.37 0.61 -0.20 6.66 9.65 -0.60 0.15 114.38 132.01 1owa h ARG 115 Ca 0.37 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 59.09 1owa h ARG 115 Cb -0.16 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.27 1owa h ARG 115 CO -0.08 0.40 -0.38 0.93 2.80 0.00 0.00 179.97 183.65 1owa h GLU 116 N 0.63 0.45 -1.00 0.20 5.08 -1.02 -2.90 114.58 116.02 1owa h GLU 116 Ca 0.17 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1owa h GLU 116 Cb -0.07 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1owa h GLU 116 CO -0.04 0.76 0.66 0.93 -1.00 0.00 0.00 179.01 180.33 1owa h GLU 117 N 0.37 1.32 -5.64 2.33 5.08 0.26 -3.42 114.58 114.88 1owa h GLU 117 Ca 0.04 -0.08 -0.67 0.00 -1.00 0.00 0.00 59.36 57.65 1owa h GLU 117 Cb 0.83 -0.30 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1owa h GLU 117 CO 0.07 0.87 -0.48 0.50 -1.00 0.00 0.00 179.01 178.97 1owa s ARG 118 N -6.12 3.44 0.47 2.33 3.52 0.37 -4.99 118.95 117.97 1owa s ARG 118 Ca -0.13 -0.13 0.26 0.00 -0.13 0.00 0.00 55.73 55.60 1owa s ARG 118 Cb 0.18 -3.19 0.68 0.00 -1.56 0.00 0.00 34.95 31.06 1owa s ARG 118 CO 0.82 0.78 1.73 0.27 -0.81 0.00 0.00 175.30 178.09 1owa h PHE 119 N 4.97 0.00 -0.37 5.12 -5.15 -1.82 -3.45 116.94 116.24 1owa h PHE 119 Ca -0.55 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.23 1owa h PHE 119 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.40 1owa h PHE 119 CO 0.76 0.03 -0.02 -2.37 -2.00 0.00 0.00 178.31 174.71 1owa n THR 120 N -3.11 0.00 -3.73 0.88 5.66 -1.26 -4.96 114.28 107.75 1owa n THR 120 Ca 0.03 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.93 1owa n THR 120 Cb 0.46 -0.02 -0.06 0.00 -1.55 0.00 0.00 70.33 69.17 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 -0.24 0.97 0.11 1.09 -1.94 -1.26 -5.11 119.30 112.92 1owa s MET 121 Ca 0.00 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1owa s MET 121 Cb 0.00 0.41 0.00 0.00 2.01 0.00 0.00 34.83 37.25 1owa s MET 121 CO 0.00 -0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.07 1owa n GLY 122 N -0.15 -4.23 0.31 -0.03 0.00 -1.26 -4.41 105.19 95.42 1owa n GLY 122 Ca -0.16 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1owa n GLY 122 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1owa h HIS 123 N 1.54 1.07 -1.00 1.61 2.76 -2.01 -2.58 115.15 116.54 1owa h HIS 123 Ca 0.00 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1owa h HIS 123 Cb 0.00 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.59 1owa h HIS 123 CO 0.00 0.81 0.65 0.77 -1.30 0.00 0.00 177.93 178.86 1owa h SER 124 N 1.01 1.15 -0.14 3.26 0.02 -2.02 0.68 113.55 117.52 1owa h SER 124 Ca 0.24 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1owa h SER 124 Cb 0.18 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1owa h SER 124 CO -0.02 0.84 0.20 0.00 -1.14 0.00 0.00 176.83 176.70 1owa h ALA 125 N 1.36 1.65 -0.47 3.77 0.00 -1.67 0.19 119.26 124.10 1owa h ALA 125 Ca 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1owa h ALA 125 Cb -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1owa h ALA 125 CO -0.08 -0.27 0.00 1.25 0.00 0.00 0.00 179.25 180.16 1owa h HIS 126 N 0.00 0.90 -0.88 0.00 2.76 -0.79 -2.84 115.15 114.30 1owa h HIS 126 Ca 0.07 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1owa h HIS 126 Cb 0.46 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1owa h HIS 126 CO 0.00 0.86 0.51 0.93 -1.30 0.00 0.00 177.93 178.93 1owa h GLU 127 N 0.68 1.21 -0.71 5.26 5.08 -0.61 -1.77 114.58 123.73 1owa h GLU 127 Ca 0.13 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1owa h GLU 127 Cb 0.50 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1owa h GLU 127 CO 0.02 0.87 0.43 1.49 -1.00 0.00 0.00 179.01 180.82 1owa h GLU 128 N 1.22 0.97 -0.17 2.33 4.57 -1.31 0.14 114.58 122.32 1owa h GLU 128 Ca 0.31 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1owa h GLU 128 Cb -0.02 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1owa h GLU 128 CO -0.06 0.68 -0.09 1.15 -1.18 0.00 0.00 179.01 179.52 1owa h THR 129 N 0.97 1.31 -0.73 0.32 2.02 -1.26 -1.22 112.91 114.32 1owa h THR 129 Ca 0.26 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1owa h THR 129 Cb -0.03 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1owa h THR 129 CO -0.05 0.34 0.49 0.50 0.37 0.00 0.00 175.52 177.17 1owa h LYS 130 N 0.05 0.97 -0.77 6.66 3.64 -1.14 -2.12 116.57 123.85 1owa h LYS 130 Ca 0.04 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1owa h LYS 130 Cb 0.57 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1owa h LYS 130 CO 0.03 0.64 0.31 0.00 -2.27 0.00 0.00 179.45 178.16 1owa h ALA 131 N 1.27 1.10 -0.52 5.00 0.00 -0.66 -1.77 119.26 123.67 1owa h ALA 131 Ca 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1owa h ALA 131 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1owa h ALA 131 CO -0.06 0.64 0.34 1.25 0.00 0.00 0.00 179.25 181.43 1owa h HIS 132 N 1.11 0.65 -0.49 0.00 -0.00 -0.56 0.37 115.15 116.23 1owa h HIS 132 Ca 0.26 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.51 1owa h HIS 132 Cb 0.20 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1owa h HIS 132 CO 0.02 0.40 -0.21 0.82 -0.00 0.00 0.00 177.93 178.97 1owa h ILE 133 N 0.70 1.27 -0.55 6.26 1.08 -1.25 -2.39 117.51 122.63 1owa h ILE 133 Ca 0.19 -1.37 -0.08 0.00 -0.39 0.00 0.00 64.86 63.21 1owa h ILE 133 Cb -0.07 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1owa h ILE 133 CO -0.05 0.48 0.04 -0.33 -0.69 0.00 0.00 178.15 177.60 1owa h GLU 134 N 0.86 0.95 -0.79 2.37 5.08 -0.90 -2.78 114.58 119.36 1owa h GLU 134 Ca 0.11 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1owa h GLU 134 Cb 0.79 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1owa h GLU 134 CO 0.07 0.93 0.35 1.49 -1.00 0.00 0.00 179.01 180.85 1owa h GLU 135 N 0.83 1.16 -1.00 2.33 4.81 -0.20 -2.59 114.58 119.92 1owa h GLU 135 Ca 0.16 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1owa h GLU 135 Cb 0.48 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1owa h GLU 135 CO 0.02 0.92 0.66 -0.07 -0.73 0.00 0.00 179.01 179.81 1owa h LEU 136 N 1.14 1.15 -0.89 1.64 3.38 -1.29 -2.35 115.31 118.09 1owa h LEU 136 Ca 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1owa h LEU 136 Cb 0.17 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1owa h LEU 136 CO -0.03 0.84 0.47 0.03 0.09 0.00 0.00 178.44 179.83 1owa h ARG 137 N 1.36 1.25 -0.90 1.13 3.08 -1.19 -1.89 114.38 117.22 1owa h ARG 137 Ca 0.37 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1owa h ARG 137 Cb -0.15 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.62 1owa h ARG 137 CO -0.08 0.93 0.49 1.25 -1.07 0.00 0.00 179.97 181.49 1owa h HIS 138 N 1.25 1.24 -0.55 3.04 2.76 -1.24 -2.27 115.15 119.39 1owa h HIS 138 Ca 0.31 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 1owa h HIS 138 Cb 0.06 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 1owa h HIS 138 CO 0.01 0.86 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.33 1owa h LEU 139 N 1.27 1.03 -0.84 0.26 -0.00 -1.22 -3.01 115.31 112.78 1owa h LEU 139 Ca 0.32 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1owa h LEU 139 Cb 0.03 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.37 1owa h LEU 139 CO -0.05 1.13 0.56 -0.50 -0.00 0.00 0.00 178.44 179.58 1owa h TRP 140 N 0.91 1.06 -0.50 1.13 4.06 -0.92 -1.00 115.95 120.69 1owa h TRP 140 Ca 0.14 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1owa h TRP 140 Cb 0.67 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 1owa h TRP 140 CO 0.04 0.66 0.33 -0.44 -3.56 0.00 0.00 178.44 175.48 1owa h ASP 141 N 1.14 0.58 -0.69 -3.49 3.32 -1.30 -0.68 116.42 115.29 1owa h ASP 141 Ca 0.31 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 1owa h ASP 141 Cb -0.13 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1owa h ASP 141 CO -0.07 0.42 0.29 -0.07 -1.72 0.00 0.00 179.24 178.10 1owa h LEU 142 N 0.68 0.94 -1.01 1.55 3.38 -1.34 -2.44 115.31 117.08 1owa h LEU 142 Ca 0.18 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1owa h LEU 142 Cb -0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1owa h LEU 142 CO -0.04 0.84 0.66 -0.07 0.09 0.00 0.00 178.44 179.92 1owa h LEU 143 N 0.98 1.16 -0.14 1.67 3.38 -0.64 0.47 115.31 122.18 1owa h LEU 143 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1owa h LEU 143 Cb 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1owa h LEU 143 CO -0.02 0.84 0.09 -0.07 0.09 0.00 0.00 178.44 179.37 1owa h LEU 144 N 1.36 0.16 -1.05 1.67 3.38 -0.78 0.16 115.31 120.22 1owa h LEU 144 Ca 0.37 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1owa h LEU 144 Cb -0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1owa h LEU 144 CO -0.08 0.12 0.64 -0.08 0.09 0.00 0.00 178.44 179.14 1owa h GLU 145 N 0.19 1.28 -1.00 1.13 4.81 -0.95 -2.05 114.58 117.99 1owa h GLU 145 Ca 0.05 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1owa h GLU 145 Cb -0.02 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.02 1owa h GLU 145 CO -0.01 0.85 0.65 -0.07 -0.73 0.00 0.00 179.01 179.70 1owa h LEU 146 N 1.32 1.10 -0.21 1.64 4.07 0.15 0.88 115.31 124.26 1owa h LEU 146 Ca 0.35 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1owa h LEU 146 Cb -0.15 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.33 1owa h LEU 146 CO -0.08 0.76 -0.03 0.71 -1.08 0.00 0.00 178.44 178.73 1owa h THR 147 N 1.28 1.27 -0.42 0.22 1.35 -0.10 -2.12 112.91 114.39 1owa h THR 147 Ca 0.39 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1owa h THR 147 Cb -0.03 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1owa h THR 147 CO -0.12 0.30 0.18 -0.07 -0.25 0.00 0.00 175.52 175.56 1owa h LEU 148 N 0.14 0.53 -0.35 3.87 4.07 -0.83 -2.54 115.31 120.20 1owa h LEU 148 Ca 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1owa h LEU 148 Cb 0.46 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1owa h LEU 148 CO 0.02 0.47 0.23 -0.33 -1.08 0.00 0.00 178.44 177.75 1owa h GLU 149 N 0.59 0.46 -0.87 1.13 5.08 0.13 -1.74 114.58 119.36 1owa h GLU 149 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1owa h GLU 149 Cb 0.10 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1owa h GLU 149 CO -0.02 0.30 0.55 -0.22 -1.00 0.00 0.00 179.01 178.63 1owa h LYS 150 N 0.47 1.17 -1.01 2.33 3.64 -1.00 -2.47 116.57 119.70 1owa h LYS 150 Ca 0.13 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1owa h LYS 150 Cb -0.05 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.46 1owa h LYS 150 CO -0.03 0.80 0.67 0.78 -2.27 0.00 0.00 179.45 179.40 1owa h GLY 151 N 1.19 1.42 1.01 5.01 0.00 -1.12 0.86 103.07 111.44 1owa h GLY 151 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1owa h GLY 151 CO -0.06 0.51 0.53 -1.80 0.00 0.00 0.00 176.54 175.72 1owa h ASP 152 N 1.36 1.01 1.00 0.19 1.82 -0.88 0.21 116.42 121.13 1owa h ASP 152 Ca 0.37 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1owa h ASP 152 Cb -0.15 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.61 1owa h ASP 152 CO -0.08 0.76 0.00 1.56 -1.61 0.00 0.00 179.24 179.87 1owa h GLN 153 N 1.17 0.00 0.00 0.28 4.20 -0.99 -2.62 115.11 117.15 1owa h GLN 153 Ca 0.31 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 1owa h GLN 153 Cb -0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1owa h GLN 153 CO -0.06 0.00 -0.22 1.25 -0.67 0.00 0.00 178.83 179.13 1owa h LEU 154 N 0.00 0.00 -9.77 1.46 5.85 0.18 -3.43 115.31 109.61 1owa h LEU 154 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1owa h LEU 154 Cb 0.50 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.57 1owa h LEU 154 CO 0.00 0.22 0.63 -0.76 -0.34 0.00 0.00 178.44 178.19 1owa s LEU 155 N -7.27 4.44 0.00 2.25 1.02 -0.99 -4.85 118.68 113.28 1owa s LEU 155 Ca -0.02 2.49 0.28 0.00 0.02 0.00 0.00 54.13 56.91 1owa s LEU 155 Cb 0.12 -3.63 1.01 0.00 0.02 0.00 0.00 46.19 43.72 1owa s LEU 155 CO 0.63 -0.49 1.72 -1.14 0.02 0.00 0.00 176.35 177.10