#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 2.24 -0.06 3.17 -0.14 -1.26 -5.03 119.74 118.65 2ro3 s LYS 2 Ca 0.00 -1.99 -0.15 0.00 -1.36 0.00 0.00 55.97 52.47 2ro3 s LYS 2 Cb 0.00 -2.20 -0.30 0.00 -1.68 0.00 0.00 37.83 33.65 2ro3 s LYS 2 CO 0.00 -0.73 0.70 1.03 -0.76 0.00 0.00 175.35 175.59 2ro3 h SER 3 N 0.57 0.54 0.00 2.83 0.87 -2.09 -3.39 113.55 112.89 2ro3 h SER 3 Ca -0.34 -0.91 -0.19 0.00 -1.23 0.00 0.00 61.79 59.12 2ro3 h SER 3 Cb 1.30 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 2ro3 h SER 3 CO 0.53 1.66 -1.89 -0.38 -0.53 0.00 0.00 176.83 176.22 2ro3 n ILE 4 N -3.82 0.72 -2.21 2.23 5.41 -1.26 -5.01 119.36 115.42 2ro3 n ILE 4 Ca -0.22 -0.53 -0.17 0.00 1.00 0.00 0.00 62.75 62.83 2ro3 n ILE 4 Cb 0.98 -0.43 -0.02 0.00 -0.71 0.00 0.00 39.64 39.46 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 2.01 -0.07 3.32 7.39 0.00 -1.26 -4.99 105.19 111.59 2ro3 n GLY 5 Ca -0.18 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.81 2.02 0.02 1.61 -7.23 -1.26 -5.01 120.40 107.75 2ro3 s VAL 6 Ca 0.00 -1.29 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 2ro3 s VAL 6 Cb 0.00 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2ro3 s VAL 6 CO 0.00 0.38 -0.17 0.54 -0.31 0.00 0.00 175.10 175.54 2ro3 s VAL 7 N -0.76 1.31 0.14 1.32 0.11 -1.26 -5.13 120.40 116.13 2ro3 s VAL 7 Ca 0.11 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.29 2ro3 s VAL 7 Cb -0.10 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 2ro3 s VAL 7 CO 0.01 0.18 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.63 2ro3 s ARG 8 N -0.90 1.21 -0.22 1.54 3.00 -1.26 -5.12 118.95 117.20 2ro3 s ARG 8 Ca 0.05 -1.30 -0.07 0.00 0.00 0.00 0.00 55.73 54.41 2ro3 s ARG 8 Cb -0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 34.95 33.48 2ro3 s ARG 8 CO 0.01 0.30 0.06 0.15 0.00 0.00 0.00 175.30 175.81 2ro3 s LYS 9 N -2.40 3.73 0.41 3.54 -0.14 -1.26 -5.07 119.74 118.54 2ro3 s LYS 9 Ca 0.12 -0.45 -0.25 0.00 -1.36 0.00 0.00 55.97 54.03 2ro3 s LYS 9 Cb -0.08 -3.25 -0.11 0.00 -1.68 0.00 0.00 37.83 32.71 2ro3 s LYS 9 CO 0.06 -0.03 1.08 0.28 -0.76 0.00 0.00 175.35 175.98 2ro3 n VAL 10 N 4.44 2.42 0.00 3.17 0.31 -1.26 -4.86 118.33 122.55 2ro3 n VAL 10 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2ro3 n VAL 10 Cb 0.52 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2ro3 n VAL 10 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ro3 n ASP 11 N 0.50 0.00 0.00 4.52 2.03 -0.18 -4.93 116.55 118.49 2ro3 n ASP 11 Ca 0.09 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2ro3 n ASP 11 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 2ro3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ro3 n GLU 12 N -0.37 0.00 0.13 -0.67 1.02 -1.26 -4.89 120.64 114.59 2ro3 n GLU 12 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2ro3 n GLU 12 Cb 0.00 -0.14 0.28 0.00 -0.02 0.00 0.00 31.44 31.56 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 0.00 0.00 -4.62 3.38 -2.02 -3.46 115.31 108.59 2ro3 h LEU 13 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ro3 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ro3 h LEU 13 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2ro3 n GLY 14 N 1.25 0.90 3.68 0.83 0.00 -1.26 -5.09 105.19 105.51 2ro3 n GLY 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.20 4.34 0.34 1.61 0.52 -1.26 -4.74 118.95 119.55 2ro3 s ARG 15 Ca 0.00 1.67 0.06 0.00 -0.52 0.00 0.00 55.73 56.94 2ro3 s ARG 15 Cb 0.00 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 2ro3 s ARG 15 CO 0.00 -0.48 0.23 0.44 0.02 0.00 0.00 175.30 175.51 2ro3 n ILE 16 N 4.71 0.00 -3.87 1.52 -5.35 -1.26 -1.01 119.36 114.10 2ro3 n ILE 16 Ca 0.11 -2.32 -0.36 0.00 -0.27 0.00 0.00 62.75 59.92 2ro3 n ILE 16 Cb 0.46 1.05 -0.14 0.00 -1.74 0.00 0.00 39.64 39.28 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 -3.21 3.48 0.32 7.28 0.11 -1.26 -5.07 120.40 122.05 2ro3 s VAL 17 Ca 0.32 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.58 2ro3 s VAL 17 Cb 0.02 -2.68 -0.09 0.00 -1.53 0.00 0.00 36.38 32.10 2ro3 s VAL 17 CO 0.23 0.29 0.76 -0.04 -3.33 0.00 0.00 175.10 173.01 2ro3 s MET 18 N 1.46 4.08 0.54 1.54 1.00 -1.26 -4.96 119.30 121.70 2ro3 s MET 18 Ca 0.04 0.77 -0.03 0.00 0.00 0.00 0.00 55.69 56.47 2ro3 s MET 18 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 34.83 32.22 2ro3 s MET 18 CO -0.02 0.17 0.81 -1.25 0.00 0.00 0.00 175.02 174.74 2ro3 s PRO 19 N -2.85 2.88 0.47 2.03 0.04 -1.26 -4.94 135.00 131.37 2ro3 s PRO 19 Ca 0.53 -0.28 0.25 0.00 0.04 0.00 0.00 61.00 61.54 2ro3 s PRO 19 Cb -0.11 -2.39 1.27 0.00 0.04 0.00 0.00 34.50 33.31 2ro3 s PRO 19 CO 0.17 -0.59 1.85 0.97 0.04 0.00 0.00 177.00 179.44 2ro3 h ILE 20 N 0.03 0.58 -0.94 0.56 6.09 -1.99 0.14 117.51 121.96 2ro3 h ILE 20 Ca -0.45 -0.08 0.12 0.00 -1.37 0.00 0.00 64.86 63.08 2ro3 h ILE 20 Cb 1.26 0.34 -0.07 0.00 0.47 0.00 0.00 36.82 38.81 2ro3 h ILE 20 CO 0.58 0.04 0.60 -0.33 -3.07 0.00 0.00 178.15 175.98 2ro3 h GLU 21 N 0.22 0.87 -0.19 2.19 4.39 -1.98 0.23 114.58 120.31 2ro3 h GLU 21 Ca 0.49 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 60.08 2ro3 h GLU 21 Cb 1.53 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2ro3 h GLU 21 CO -0.12 0.58 -0.09 1.25 -1.16 0.00 0.00 179.01 179.46 2ro3 h LEU 22 N 0.90 0.40 -0.34 1.33 6.46 -1.09 0.20 115.31 123.17 2ro3 h LEU 22 Ca 0.46 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2ro3 h LEU 22 Cb 0.51 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2ro3 h LEU 22 CO -0.22 0.72 0.21 0.03 -0.62 0.00 0.00 178.44 178.56 2ro3 h ARG 23 N 0.08 0.45 0.33 1.25 3.08 -1.05 0.04 114.38 118.56 2ro3 h ARG 23 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2ro3 h ARG 23 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2ro3 h ARG 23 CO 0.03 0.32 -0.16 0.00 -1.07 0.00 0.00 179.97 179.09 2ro3 h ARG 24 N 0.45 -0.42 -0.46 0.04 3.08 -0.53 -0.49 114.38 116.05 2ro3 h ARG 24 Ca 0.12 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.28 2ro3 h ARG 24 Cb -0.02 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 2ro3 h ARG 24 CO -0.02 -0.26 0.03 0.00 -1.07 0.00 0.00 179.97 178.65 2ro3 h ALA 25 N 0.21 0.46 -3.00 0.04 0.00 -0.45 -3.38 119.26 113.13 2ro3 h ALA 25 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ro3 h ALA 25 Cb 0.35 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ro3 h ALA 25 CO 0.07 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2ro3 n LEU 26 N -5.18 0.21 0.00 0.00 4.77 -0.01 -5.02 117.00 111.78 2ro3 n LEU 26 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2ro3 n LEU 26 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2ro3 n LEU 26 CO 0.19 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.58 2ro3 n ASP 27 N -0.04 0.00 -4.73 -1.43 2.03 -0.42 -5.00 116.55 106.96 2ro3 n ASP 27 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2ro3 n ASP 27 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 4.43 -0.24 5.18 1.09 -0.33 -4.95 121.20 126.38 2ro3 s ILE 28 Ca 0.00 2.06 -0.16 0.00 -1.10 0.00 0.00 60.65 61.45 2ro3 s ILE 28 Cb 0.00 -4.31 -0.10 0.00 -1.06 0.00 0.00 42.46 36.99 2ro3 s ILE 28 CO 0.00 0.33 -0.31 0.00 -0.10 0.00 0.00 174.94 174.86 2ro3 n ALA 29 N 2.64 1.03 0.00 9.38 0.00 -1.26 -4.51 120.51 127.78 2ro3 n ALA 29 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2ro3 n ALA 29 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.35 0.00 0.00 0.00 0.00 -1.26 -4.98 119.36 108.77 2ro3 n ILE 30 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.37 2ro3 n ILE 30 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.37 2ro3 n ILE 30 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2ro3 n LYS 31 N -0.69 0.00 0.00 9.51 5.02 -1.26 -5.08 118.16 125.66 2ro3 n LYS 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ro3 n LYS 31 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 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 -2.33 0.00 0.00 4.39 2.03 -1.26 -4.60 116.55 114.78 2ro3 n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ro3 n ASP 32 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 5.36 0.00 -4.03 1.67 7.64 -1.26 -5.02 113.62 117.98 2ro3 n SER 33 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2ro3 n SER 33 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.79 -0.06 0.44 1.09 -1.26 -2.76 121.20 120.44 2ro3 s ILE 34 Ca 0.00 -1.03 0.03 0.00 -1.10 0.00 0.00 60.65 58.55 2ro3 s ILE 34 Cb 0.00 -1.79 -0.02 0.00 -1.06 0.00 0.00 42.46 39.58 2ro3 s ILE 34 CO 0.00 0.26 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.25 2ro3 s GLU 35 N 1.35 2.61 0.15 2.79 2.12 0.63 -4.94 118.70 123.42 2ro3 s GLU 35 Ca -0.00 -0.70 0.10 0.00 0.36 0.00 0.00 54.97 54.73 2ro3 s GLU 35 Cb -0.16 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 2ro3 s GLU 35 CO -0.09 0.57 -0.20 -0.59 -0.54 0.00 0.00 175.26 174.41 2ro3 s PHE 36 N -0.59 2.43 0.21 5.30 -0.71 -1.25 -1.15 117.98 122.22 2ro3 s PHE 36 Ca 0.09 -0.31 0.10 0.00 -1.04 0.00 0.00 56.93 55.77 2ro3 s PHE 36 Cb -0.11 -1.25 -0.04 0.00 -1.21 0.00 0.00 43.02 40.40 2ro3 s PHE 36 CO 0.01 0.43 -0.16 0.12 -1.34 0.00 0.00 175.22 174.28 2ro3 s PHE 37 N -1.38 2.45 -0.11 3.49 2.19 0.15 -4.91 117.98 119.86 2ro3 s PHE 37 Ca 0.19 -0.29 -0.00 0.00 0.33 0.00 0.00 56.93 57.15 2ro3 s PHE 37 Cb -0.09 -1.17 0.02 0.00 -1.31 0.00 0.00 43.02 40.47 2ro3 s PHE 37 CO 0.10 0.55 -0.07 0.54 1.83 0.00 0.00 175.22 178.17 2ro3 s VAL 38 N -1.89 1.00 -0.56 3.12 0.11 -1.26 0.39 120.40 121.30 2ro3 s VAL 38 Ca 0.25 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2ro3 s VAL 38 Cb -0.08 -1.02 0.15 0.00 -1.53 0.00 0.00 36.38 33.90 2ro3 s VAL 38 CO 0.14 0.36 0.38 -0.62 -3.33 0.00 0.00 175.10 172.03 2ro3 s ASP 39 N 1.66 5.31 0.00 3.54 2.15 0.15 -4.95 116.67 124.54 2ro3 s ASP 39 Ca 0.04 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.44 2ro3 s ASP 39 Cb -0.13 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 2ro3 s ASP 39 CO -0.07 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2ro3 n GLY 40 N 3.88 0.35 1.49 2.66 0.00 -1.26 -0.43 105.19 111.88 2ro3 n GLY 40 Ca 0.04 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 2ro3 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ro3 n ASP 41 N 2.82 2.10 -4.07 1.61 2.03 -1.26 -5.03 116.55 114.76 2ro3 n ASP 41 Ca 0.00 -3.02 -0.14 0.00 0.52 0.00 0.00 54.79 52.15 2ro3 n ASP 41 Cb 0.00 -0.42 -0.12 0.00 -0.72 0.00 0.00 41.12 39.87 2ro3 n ASP 41 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2ro3 s LYS 42 N -2.45 0.56 0.04 -0.67 2.20 0.43 -5.15 119.74 114.68 2ro3 s LYS 42 Ca 0.38 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 55.32 2ro3 s LYS 42 Cb 0.38 -0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2ro3 s LYS 42 CO -0.07 0.07 -0.26 0.42 -0.36 0.00 0.00 175.35 175.14 2ro3 s ILE 43 N -1.31 2.11 -0.05 5.43 -1.09 -1.26 0.35 121.20 125.38 2ro3 s ILE 43 Ca -0.08 -1.34 0.06 0.00 -2.23 0.00 0.00 60.65 57.06 2ro3 s ILE 43 Cb -0.10 -1.79 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 2ro3 s ILE 43 CO 0.01 0.39 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.23 2ro3 s ILE 44 N -0.77 2.05 -0.03 2.92 1.01 0.16 -4.92 121.20 121.62 2ro3 s ILE 44 Ca 0.11 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2ro3 s ILE 44 Cb -0.10 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2ro3 s ILE 44 CO 0.02 0.57 -0.17 -0.76 0.00 0.00 0.00 174.94 174.60 2ro3 s LEU 45 N -0.24 1.96 0.17 2.97 1.02 -1.26 0.35 118.68 123.64 2ro3 s LEU 45 Ca -0.01 -0.33 -0.17 0.00 0.02 0.00 0.00 54.13 53.63 2ro3 s LEU 45 Cb -0.13 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.19 2ro3 s LEU 45 CO 0.03 0.17 0.48 -1.59 0.02 0.00 0.00 176.35 175.47 2ro3 s LYS 46 N -0.14 1.25 0.85 1.70 0.00 -0.30 -4.98 119.74 118.12 2ro3 s LYS 46 Ca 0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 55.97 55.10 2ro3 s LYS 46 Cb -0.09 0.51 0.10 0.00 0.00 0.00 0.00 37.83 38.35 2ro3 s LYS 46 CO 0.01 -0.52 1.10 0.21 0.00 0.00 0.00 175.35 176.15 2ro3 s LYS 47 N -3.84 1.62 -0.16 1.78 2.36 -1.26 -0.27 119.74 119.98 2ro3 s LYS 47 Ca 0.06 1.14 -0.21 0.00 -2.55 0.00 0.00 55.97 54.42 2ro3 s LYS 47 Cb 0.00 -1.83 -0.18 0.00 -1.05 0.00 0.00 37.83 34.78 2ro3 s LYS 47 CO -0.07 -2.08 0.38 -0.92 1.55 0.00 0.00 175.35 174.20 2ro3 h TYR 48 N -1.45 0.00 -0.55 4.03 3.20 -1.89 -3.39 116.97 116.92 2ro3 h TYR 48 Ca -0.46 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.51 2ro3 h TYR 48 Cb 1.26 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.45 2ro3 h TYR 48 CO 0.51 0.95 0.10 -0.22 -1.64 0.00 0.00 178.16 177.86 2ro3 h LYS 49 N -1.00 0.23 -0.31 1.82 3.64 -1.88 -1.59 116.57 117.47 2ro3 h LYS 49 Ca -0.13 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2ro3 h LYS 49 Cb 0.93 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2ro3 h LYS 49 CO -0.08 0.15 0.33 -1.35 -2.27 0.00 0.00 179.45 176.24 2ro3 h PRO 50 N 0.24 0.00 -0.01 1.90 0.11 -1.99 0.72 132.00 132.97 2ro3 h PRO 50 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2ro3 h PRO 50 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2ro3 h PRO 50 CO -0.37 0.00 -0.35 1.58 -0.21 0.00 0.00 178.00 178.65 2ro3 n HIS 51 N -3.81 0.00 0.00 0.65 -0.00 -0.80 -5.01 115.22 106.26 2ro3 n HIS 51 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2ro3 n HIS 51 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2ro3 n HIS 51 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ro3 n GLY 52 N 1.13 2.18 3.28 1.57 0.00 0.24 -4.76 105.19 108.83 2ro3 n GLY 52 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.48 -0.11 1.61 0.11 -1.26 -4.64 120.40 116.59 2ro3 s VAL 53 Ca 0.00 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.06 2ro3 s VAL 53 Cb 0.00 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 2ro3 s VAL 53 CO 0.00 -0.10 0.03 0.00 -3.33 0.00 0.00 175.10 171.70