#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ro3 s LYS 2 N 0.00 1.13 0.24 0.03 1.02 -1.26 -4.88 119.74 116.02 2ro3 s LYS 2 Ca 0.00 0.63 -0.05 0.00 0.02 0.00 0.00 55.97 56.58 2ro3 s LYS 2 Cb 0.00 -1.81 0.44 0.00 -0.52 0.00 0.00 37.83 35.95 2ro3 s LYS 2 CO 0.00 -2.28 1.73 1.03 -0.92 0.00 0.00 175.35 174.91 2ro3 h SER 3 N -1.57 0.26 0.10 2.83 0.87 -2.09 -2.07 113.55 111.89 2ro3 h SER 3 Ca -0.51 0.11 -0.37 0.00 -1.23 0.00 0.00 61.79 59.79 2ro3 h SER 3 Cb 1.30 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.32 2ro3 h SER 3 CO 0.57 0.10 -2.09 -0.38 -0.53 0.00 0.00 176.83 174.50 2ro3 n ILE 4 N -5.01 1.73 -0.99 2.23 5.41 -1.26 -4.98 119.36 116.49 2ro3 n ILE 4 Ca 0.14 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2ro3 n ILE 4 Cb 0.41 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 2ro3 n ILE 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ro3 n GLY 5 N 2.04 0.51 3.91 7.39 0.00 -0.78 -5.00 105.19 113.26 2ro3 n GLY 5 Ca -0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 2ro3 n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ro3 s VAL 6 N -2.18 5.37 0.00 1.61 -7.23 -1.26 -4.86 120.40 111.85 2ro3 s VAL 6 Ca 0.00 -0.18 0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2ro3 s VAL 6 Cb 0.00 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 2ro3 s VAL 6 CO 0.00 0.23 -0.16 0.54 -0.31 0.00 0.00 175.10 175.40 2ro3 s VAL 7 N -1.43 1.30 0.17 1.32 0.11 -1.26 -5.10 120.40 115.52 2ro3 s VAL 7 Ca 0.32 -0.81 0.11 0.00 -2.93 0.00 0.00 61.98 58.66 2ro3 s VAL 7 Cb -0.13 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 2ro3 s VAL 7 CO 0.22 0.28 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.91 2ro3 s ARG 8 N -0.61 1.42 -0.19 1.54 3.00 -1.26 -5.11 118.95 117.74 2ro3 s ARG 8 Ca 0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 55.73 54.31 2ro3 s ARG 8 Cb -0.07 -1.73 -0.02 0.00 0.00 0.00 0.00 34.95 33.13 2ro3 s ARG 8 CO 0.00 0.38 -0.04 0.15 0.00 0.00 0.00 175.30 175.79 2ro3 s LYS 9 N -2.51 3.50 0.49 3.54 -0.14 -1.26 -5.06 119.74 118.30 2ro3 s LYS 9 Ca 0.17 -0.59 -0.23 0.00 -1.36 0.00 0.00 55.97 53.97 2ro3 s LYS 9 Cb -0.08 -2.95 -0.08 0.00 -1.68 0.00 0.00 37.83 33.04 2ro3 s LYS 9 CO 0.08 0.01 1.14 0.28 -0.76 0.00 0.00 175.35 176.10 2ro3 n VAL 10 N 4.19 3.01 0.00 3.17 0.31 -1.26 -4.81 118.33 122.94 2ro3 n VAL 10 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2ro3 n VAL 10 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2ro3 n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2ro3 n ASP 11 N -0.15 0.00 0.07 4.52 8.00 0.13 -4.95 116.55 124.18 2ro3 n ASP 11 Ca 0.10 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2ro3 n ASP 11 Cb 0.42 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2ro3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ro3 n GLU 12 N -1.81 0.00 -0.02 -1.24 1.02 -1.26 -4.96 120.64 112.37 2ro3 n GLU 12 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2ro3 n GLU 12 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2ro3 n GLU 12 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ro3 h LEU 13 N 0.00 0.15 0.00 -4.62 3.38 -2.03 -3.46 115.31 108.73 2ro3 h LEU 13 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ro3 h LEU 13 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ro3 h LEU 13 CO 0.00 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2ro3 n GLY 14 N -0.32 -0.33 3.72 0.83 0.00 -1.26 -5.14 105.19 102.69 2ro3 n GLY 14 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2ro3 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ro3 s ARG 15 N 0.00 4.49 0.35 1.61 0.52 -1.26 -4.83 118.95 119.83 2ro3 s ARG 15 Ca 0.00 1.66 0.05 0.00 -0.52 0.00 0.00 55.73 56.92 2ro3 s ARG 15 Cb 0.00 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 2ro3 s ARG 15 CO 0.00 -0.15 0.20 0.44 0.02 0.00 0.00 175.30 175.81 2ro3 n ILE 16 N 3.72 0.00 -3.85 1.52 -5.35 -1.26 -0.69 119.36 113.46 2ro3 n ILE 16 Ca 0.07 -2.27 -0.36 0.00 -0.27 0.00 0.00 62.75 59.93 2ro3 n ILE 16 Cb 0.48 0.96 -0.13 0.00 -1.74 0.00 0.00 39.64 39.21 2ro3 n ILE 16 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ro3 s VAL 17 N -3.13 3.21 0.33 7.28 0.11 -1.26 -5.05 120.40 121.88 2ro3 s VAL 17 Ca 0.28 -1.52 -0.22 0.00 -2.93 0.00 0.00 61.98 57.58 2ro3 s VAL 17 Cb 0.01 -2.94 -0.10 0.00 -1.53 0.00 0.00 36.38 31.83 2ro3 s VAL 17 CO 0.20 -0.28 0.87 -0.04 -3.33 0.00 0.00 175.10 172.52 2ro3 s MET 18 N 1.25 4.35 0.55 1.54 1.00 -1.26 -4.94 119.30 121.78 2ro3 s MET 18 Ca -0.01 1.09 -0.04 0.00 0.00 0.00 0.00 55.69 56.73 2ro3 s MET 18 Cb -0.20 -2.61 0.00 0.00 0.00 0.00 0.00 34.83 32.02 2ro3 s MET 18 CO -0.01 0.21 0.84 -1.25 0.00 0.00 0.00 175.02 174.81 2ro3 s PRO 19 N -2.44 3.00 0.54 2.03 0.04 -1.26 -4.93 135.00 131.98 2ro3 s PRO 19 Ca 0.52 -0.11 0.31 0.00 0.04 0.00 0.00 61.00 61.77 2ro3 s PRO 19 Cb -0.15 -2.35 1.48 0.00 0.04 0.00 0.00 34.50 33.53 2ro3 s PRO 19 CO 0.20 -0.56 1.89 0.97 0.04 0.00 0.00 177.00 179.53 2ro3 h ILE 20 N -0.01 0.54 -0.76 0.56 6.09 -1.99 0.23 117.51 122.16 2ro3 h ILE 20 Ca -0.46 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.10 2ro3 h ILE 20 Cb 1.25 0.55 -0.05 0.00 0.47 0.00 0.00 36.82 39.05 2ro3 h ILE 20 CO 0.60 0.00 0.50 -0.33 -3.07 0.00 0.00 178.15 175.85 2ro3 h GLU 21 N 0.00 0.77 0.03 2.19 5.08 -1.98 0.18 114.58 120.83 2ro3 h GLU 21 Ca 0.41 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.50 2ro3 h GLU 21 Cb 1.69 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2ro3 h GLU 21 CO -0.00 0.51 -0.98 1.37 -1.00 0.00 0.00 179.01 178.90 2ro3 h LEU 22 N 0.79 0.42 0.25 1.33 -0.00 -0.90 0.14 115.31 117.35 2ro3 h LEU 22 Ca 0.33 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2ro3 h LEU 22 Cb 0.29 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2ro3 h LEU 22 CO -0.12 1.18 -0.16 0.03 -0.00 0.00 0.00 178.44 179.37 2ro3 h ARG 23 N 0.16 -0.39 0.11 0.17 3.08 -0.98 0.45 114.38 116.98 2ro3 h ARG 23 Ca -0.08 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2ro3 h ARG 23 Cb 1.63 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.76 2ro3 h ARG 23 CO 0.16 -0.26 -0.13 0.00 -1.07 0.00 0.00 179.97 178.67 2ro3 h ARG 24 N -0.41 -0.26 -0.86 0.04 3.08 -0.67 0.37 114.38 115.67 2ro3 h ARG 24 Ca -0.02 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2ro3 h ARG 24 Cb 0.35 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 2ro3 h ARG 24 CO 0.02 -0.18 0.44 0.00 -1.07 0.00 0.00 179.97 179.18 2ro3 h ALA 25 N 0.59 1.30 -3.00 0.04 0.00 -0.63 -3.39 119.26 114.16 2ro3 h ALA 25 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ro3 h ALA 25 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ro3 h ALA 25 CO -0.05 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.37 2ro3 n LEU 26 N -4.88 0.00 0.00 0.00 4.77 0.14 -5.05 117.00 111.98 2ro3 n LEU 26 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2ro3 n LEU 26 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2ro3 n LEU 26 CO 0.20 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.59 2ro3 n ASP 27 N 0.00 0.00 -4.70 -1.43 2.03 0.12 -5.02 116.55 107.55 2ro3 n ASP 27 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2ro3 n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2ro3 n ASP 27 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ro3 s ILE 28 N 0.00 3.48 -0.25 5.18 1.09 -0.70 -4.90 121.20 125.10 2ro3 s ILE 28 Ca 0.00 0.99 -0.11 0.00 -1.10 0.00 0.00 60.65 60.44 2ro3 s ILE 28 Cb 0.00 -3.64 -0.11 0.00 -1.06 0.00 0.00 42.46 37.65 2ro3 s ILE 28 CO 0.00 0.04 -0.31 0.00 -0.10 0.00 0.00 174.94 174.57 2ro3 n ALA 29 N 4.60 1.39 0.03 9.38 0.00 -1.26 -4.72 120.51 129.92 2ro3 n ALA 29 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2ro3 n ALA 29 Cb 0.43 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2ro3 n ALA 29 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2ro3 n ILE 30 N -4.00 0.00 -0.03 0.00 3.06 -1.26 -4.98 119.36 112.15 2ro3 n ILE 30 Ca -0.49 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 59.72 2ro3 n ILE 30 Cb 0.86 -0.33 -0.03 0.00 0.54 0.00 0.00 39.64 40.69 2ro3 n ILE 30 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2ro3 n LYS 31 N -2.65 0.45 0.00 9.51 5.02 -1.26 -5.05 118.16 124.18 2ro3 n LYS 31 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2ro3 n LYS 31 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2ro3 n LYS 31 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ro3 n ASP 32 N -2.63 0.00 0.00 4.39 2.03 -1.26 -4.69 116.55 114.40 2ro3 n ASP 32 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2ro3 n ASP 32 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2ro3 n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ro3 n SER 33 N 6.26 0.00 -3.89 1.67 7.64 -1.26 -5.03 113.62 119.02 2ro3 n SER 33 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2ro3 n SER 33 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 2ro3 n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ro3 s ILE 34 N 0.00 0.95 -0.07 0.44 1.09 -1.26 -2.90 121.20 119.45 2ro3 s ILE 34 Ca 0.00 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.30 2ro3 s ILE 34 Cb 0.00 -1.01 -0.02 0.00 -1.06 0.00 0.00 42.46 40.37 2ro3 s ILE 34 CO 0.00 0.33 -0.13 -0.70 -0.10 0.00 0.00 174.94 174.34 2ro3 s GLU 35 N 1.73 2.77 0.13 2.79 2.12 0.11 -4.90 118.70 123.47 2ro3 s GLU 35 Ca 0.05 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 54.79 2ro3 s GLU 35 Cb -0.13 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 2ro3 s GLU 35 CO -0.08 0.52 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.97 2ro3 s PHE 36 N -0.45 2.63 0.24 5.30 0.08 -1.25 -1.13 117.98 123.39 2ro3 s PHE 36 Ca 0.06 -0.22 0.11 0.00 0.12 0.00 0.00 56.93 57.00 2ro3 s PHE 36 Cb -0.12 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 2ro3 s PHE 36 CO 0.02 0.44 -0.14 0.12 -0.10 0.00 0.00 175.22 175.56 2ro3 s PHE 37 N -1.36 2.47 -0.07 0.36 2.19 0.24 -4.90 117.98 116.92 2ro3 s PHE 37 Ca 0.21 -0.29 0.02 0.00 0.33 0.00 0.00 56.93 57.20 2ro3 s PHE 37 Cb -0.10 -1.13 0.02 0.00 -1.31 0.00 0.00 43.02 40.49 2ro3 s PHE 37 CO 0.13 0.61 -0.10 0.54 1.83 0.00 0.00 175.22 178.23 2ro3 s VAL 38 N -2.12 0.99 -0.40 3.12 0.11 -1.26 0.38 120.40 121.22 2ro3 s VAL 38 Ca 0.27 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2ro3 s VAL 38 Cb -0.07 -0.94 0.12 0.00 -1.53 0.00 0.00 36.38 33.96 2ro3 s VAL 38 CO 0.15 0.33 0.17 -0.62 -3.33 0.00 0.00 175.10 171.80 2ro3 s ASP 39 N 0.90 4.12 0.00 3.54 2.15 0.85 -4.95 116.67 123.28 2ro3 s ASP 39 Ca -0.11 -2.36 0.00 0.00 0.43 0.00 0.00 52.55 50.51 2ro3 s ASP 39 Cb -0.15 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.23 2ro3 s ASP 39 CO 0.01 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2ro3 n GLY 40 N 3.93 0.85 0.53 2.66 0.00 -1.26 -0.57 105.19 111.33 2ro3 n GLY 40 Ca 0.04 0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.61 2ro3 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ro3 n ASP 41 N 3.80 1.60 -4.35 1.61 8.00 -1.26 -5.05 116.55 120.89 2ro3 n ASP 41 Ca 0.00 -3.09 -0.23 0.00 0.71 0.00 0.00 54.79 52.18 2ro3 n ASP 41 Cb 0.00 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 2ro3 n ASP 41 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2ro3 s LYS 42 N -2.20 1.33 0.00 -1.24 2.20 0.26 -5.15 119.74 114.94 2ro3 s LYS 42 Ca 0.30 -1.43 0.06 0.00 -0.36 0.00 0.00 55.97 54.54 2ro3 s LYS 42 Cb 0.29 -1.46 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 2ro3 s LYS 42 CO -0.04 0.30 -0.19 0.42 -0.36 0.00 0.00 175.35 175.49 2ro3 s ILE 43 N -1.91 1.48 -0.11 5.43 -1.09 -1.26 -0.11 121.20 123.63 2ro3 s ILE 43 Ca 0.17 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 2ro3 s ILE 43 Cb -0.06 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.58 2ro3 s ILE 43 CO 0.07 0.34 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.32 2ro3 s ILE 44 N -0.54 1.65 0.03 2.92 1.01 0.16 -4.90 121.20 121.52 2ro3 s ILE 44 Ca 0.07 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2ro3 s ILE 44 Cb -0.07 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2ro3 s ILE 44 CO -0.00 0.47 -0.21 -0.76 0.00 0.00 0.00 174.94 174.44 2ro3 s LEU 45 N 0.83 2.44 0.04 2.97 1.02 -1.26 0.83 118.68 125.56 2ro3 s LEU 45 Ca -0.09 -0.46 -0.10 0.00 0.02 0.00 0.00 54.13 53.50 2ro3 s LEU 45 Cb -0.16 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.62 2ro3 s LEU 45 CO 0.00 0.27 0.22 -1.59 0.02 0.00 0.00 176.35 175.27 2ro3 s LYS 46 N -1.23 0.73 0.31 1.70 -2.85 -0.28 -4.96 119.74 113.16 2ro3 s LYS 46 Ca 0.13 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 2ro3 s LYS 46 Cb -0.10 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.87 2ro3 s LYS 46 CO 0.03 -0.22 1.20 0.21 0.10 0.00 0.00 175.35 176.67 2ro3 s LYS 47 N -2.67 4.47 0.09 1.78 2.36 -1.25 0.06 119.74 124.58 2ro3 s LYS 47 Ca -0.04 2.00 -0.25 0.00 -2.55 0.00 0.00 55.97 55.13 2ro3 s LYS 47 Cb -0.01 -3.10 -0.15 0.00 -1.05 0.00 0.00 37.83 33.52 2ro3 s LYS 47 CO -0.04 -0.00 1.72 -0.92 1.55 0.00 0.00 175.35 177.65 2ro3 h TYR 48 N 3.54 -0.17 0.43 4.03 5.03 -1.90 -3.22 116.97 124.71 2ro3 h TYR 48 Ca -0.48 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.81 2ro3 h TYR 48 Cb 1.22 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 2ro3 h TYR 48 CO 0.57 -0.11 -0.38 -0.22 -1.32 0.00 0.00 178.16 176.70 2ro3 h LYS 49 N -0.17 -0.77 -7.28 1.82 3.64 -1.92 -3.39 116.57 108.50 2ro3 h LYS 49 Ca -0.01 0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.96 2ro3 h LYS 49 Cb 0.14 0.17 0.17 0.00 -0.41 0.00 0.00 32.23 32.31 2ro3 h LYS 49 CO 0.01 -0.51 0.16 -2.14 -2.27 0.00 0.00 179.45 174.70 2ro3 s PRO 50 N -5.15 0.38 0.00 1.90 0.02 -1.22 -3.35 135.00 127.58 2ro3 s PRO 50 Ca -0.14 0.84 0.00 0.00 0.02 0.00 0.00 61.00 61.72 2ro3 s PRO 50 Cb 0.03 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2ro3 s PRO 50 CO 0.45 -2.85 0.00 0.72 -0.33 0.00 0.00 177.00 174.99 2ro3 n HIS 51 N -4.30 0.00 0.00 6.54 8.25 -1.26 -4.72 115.22 119.72 2ro3 n HIS 51 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2ro3 n HIS 51 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2ro3 n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ro3 n GLY 52 N 0.00 2.29 3.75 -1.41 0.00 -1.21 -4.93 105.19 103.68 2ro3 n GLY 52 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2ro3 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ro3 s VAL 53 N 0.00 2.00 0.00 1.61 0.11 -1.26 -5.01 120.40 117.85 2ro3 s VAL 53 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2ro3 s VAL 53 Cb 0.00 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2ro3 s VAL 53 CO 0.00 0.00 0.24 0.00 -3.33 0.00 0.00 175.10 172.01