#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ro3 n LYS 2 N 0.00 -0.36 -0.06 0.03 5.02 -1.26 -2.77 118.16 118.76 2ro3 n LYS 2 Ca 0.00 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.36 2ro3 n LYS 2 Cb 0.00 -0.44 -0.13 0.00 -0.02 0.00 0.00 35.03 34.44 2ro3 n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ro3 h SER 3 N -0.16 0.07 0.14 4.39 0.87 -2.09 -3.39 113.55 113.38 2ro3 h SER 3 Ca 0.00 -0.89 -0.36 0.00 -1.23 0.00 0.00 61.79 59.31 2ro3 h SER 3 Cb 0.16 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2ro3 h SER 3 CO 0.00 1.18 -2.04 -0.38 -0.53 0.00 0.00 176.83 175.06 2ro3 n ILE 4 N -4.48 1.73 -2.02 2.23 5.41 -1.26 -4.99 119.36 115.98 2ro3 n ILE 4 Ca -0.16 -0.66 -0.10 0.00 1.00 0.00 0.00 62.75 62.83 2ro3 n ILE 4 Cb 0.58 -1.63 -0.01 0.00 -0.71 0.00 0.00 39.64 37.87 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 1.99 0.19 3.38 7.39 0.00 -1.12 -5.01 105.19 112.01 2ro3 n GLY 5 Ca -0.32 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.49 2.60 0.04 1.61 -7.23 -1.26 -4.98 120.40 108.68 2ro3 s VAL 6 Ca 0.00 -0.88 0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2ro3 s VAL 6 Cb 0.00 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2ro3 s VAL 6 CO 0.00 0.58 -0.23 0.54 -0.31 0.00 0.00 175.10 175.67 2ro3 s VAL 7 N -0.43 1.87 0.10 1.32 0.11 -1.26 -5.14 120.40 116.97 2ro3 s VAL 7 Ca 0.05 -1.27 0.09 0.00 -2.93 0.00 0.00 61.98 57.91 2ro3 s VAL 7 Cb -0.12 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 2ro3 s VAL 7 CO 0.02 0.28 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.72 2ro3 s ARG 8 N -1.18 1.17 -0.26 1.54 3.00 -1.26 -5.10 118.95 116.85 2ro3 s ARG 8 Ca 0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 55.73 54.56 2ro3 s ARG 8 Cb -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 34.95 33.37 2ro3 s ARG 8 CO 0.02 0.34 0.09 0.15 0.00 0.00 0.00 175.30 175.90 2ro3 s LYS 9 N -1.90 3.62 0.38 3.54 -0.14 -1.26 -5.07 119.74 118.90 2ro3 s LYS 9 Ca 0.07 -0.51 -0.25 0.00 -1.36 0.00 0.00 55.97 53.92 2ro3 s LYS 9 Cb -0.10 -3.39 -0.12 0.00 -1.68 0.00 0.00 37.83 32.54 2ro3 s LYS 9 CO 0.04 -0.23 0.91 0.28 -0.76 0.00 0.00 175.35 175.60 2ro3 n VAL 10 N 4.94 2.18 0.00 3.17 0.31 -1.26 -4.88 118.33 122.79 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 0.51 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.89 0.00 0.00 4.52 2.03 0.45 -4.94 116.55 119.49 2ro3 n ASP 11 Ca 0.10 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2ro3 n ASP 11 Cb 0.37 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.74 0.00 0.08 -0.67 1.02 -1.26 -4.91 120.64 114.16 2ro3 n GLU 12 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2ro3 n GLU 12 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.27 0.00 -4.62 3.38 -2.03 -3.46 115.31 108.85 2ro3 h LEU 13 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ro3 h LEU 13 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ro3 h LEU 13 CO 0.00 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2ro3 n GLY 14 N 0.65 -0.42 3.70 0.83 0.00 -1.26 -5.12 105.19 103.57 2ro3 n GLY 14 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.37 0.36 1.61 0.52 -1.26 -4.75 118.95 119.80 2ro3 s ARG 15 Ca 0.00 1.84 0.05 0.00 -0.52 0.00 0.00 55.73 57.11 2ro3 s ARG 15 Cb 0.00 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 2ro3 s ARG 15 CO 0.00 -0.39 0.20 0.44 0.02 0.00 0.00 175.30 175.57 2ro3 n ILE 16 N 4.21 0.00 -3.90 1.52 -5.35 -1.26 -0.42 119.36 114.16 2ro3 n ILE 16 Ca 0.11 -2.33 -0.35 0.00 -0.27 0.00 0.00 62.75 59.90 2ro3 n ILE 16 Cb 0.45 0.98 -0.14 0.00 -1.74 0.00 0.00 39.64 39.19 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 -3.16 3.07 0.39 7.28 0.11 -1.26 -5.05 120.40 121.77 2ro3 s VAL 17 Ca 0.28 -1.21 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 2ro3 s VAL 17 Cb 0.01 -2.69 -0.10 0.00 -1.53 0.00 0.00 36.38 32.08 2ro3 s VAL 17 CO 0.20 -0.00 0.86 -0.04 -3.33 0.00 0.00 175.10 172.79 2ro3 s MET 18 N 1.30 4.13 0.57 1.54 1.00 -1.26 -4.95 119.30 121.63 2ro3 s MET 18 Ca -0.03 0.93 -0.03 0.00 0.00 0.00 0.00 55.69 56.56 2ro3 s MET 18 Cb -0.19 -2.28 0.02 0.00 0.00 0.00 0.00 34.83 32.38 2ro3 s MET 18 CO -0.02 0.04 0.84 -1.25 0.00 0.00 0.00 175.02 174.63 2ro3 s PRO 19 N -3.13 2.77 0.51 2.03 0.04 -1.26 -4.94 135.00 131.01 2ro3 s PRO 19 Ca 0.59 -0.31 0.24 0.00 0.04 0.00 0.00 61.00 61.56 2ro3 s PRO 19 Cb -0.09 -2.36 1.32 0.00 0.04 0.00 0.00 34.50 33.40 2ro3 s PRO 19 CO 0.15 -0.69 1.97 0.97 0.04 0.00 0.00 177.00 179.44 2ro3 h ILE 20 N -0.06 0.73 -0.06 0.56 6.09 -1.99 0.90 117.51 123.68 2ro3 h ILE 20 Ca -0.45 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 2ro3 h ILE 20 Cb 1.27 0.62 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 2ro3 h ILE 20 CO 0.58 0.02 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.35 2ro3 h GLU 21 N 0.10 0.08 -0.08 2.19 5.08 -1.98 0.28 114.58 120.26 2ro3 h GLU 21 Ca 0.30 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2ro3 h GLU 21 Cb 1.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ro3 h GLU 21 CO -0.03 0.09 -0.23 1.25 -1.00 0.00 0.00 179.01 179.10 2ro3 h LEU 22 N 0.08 0.33 -0.34 1.33 6.46 -1.19 0.33 115.31 122.32 2ro3 h LEU 22 Ca 0.02 -0.61 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 2ro3 h LEU 22 Cb 0.06 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2ro3 h LEU 22 CO 0.00 0.88 0.21 0.03 -0.62 0.00 0.00 178.44 178.95 2ro3 h ARG 23 N -0.20 0.43 0.21 1.25 3.08 -0.99 -0.21 114.38 117.94 2ro3 h ARG 23 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2ro3 h ARG 23 Cb 0.85 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ro3 h ARG 23 CO 0.05 0.28 -0.10 0.00 -1.07 0.00 0.00 179.97 179.13 2ro3 h ARG 24 N 0.44 -0.27 -0.85 0.04 3.08 -0.54 0.09 114.38 116.38 2ro3 h ARG 24 Ca 0.13 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.33 2ro3 h ARG 24 Cb -0.03 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 2ro3 h ARG 24 CO -0.04 -0.10 0.45 0.00 -1.07 0.00 0.00 179.97 179.21 2ro3 h ALA 25 N 0.40 1.26 -3.00 0.04 0.00 -0.77 -3.38 119.26 113.82 2ro3 h ALA 25 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ro3 h ALA 25 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ro3 h ALA 25 CO 0.05 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2ro3 n LEU 26 N -4.84 0.00 0.00 0.00 4.77 -0.11 -5.04 117.00 111.79 2ro3 n LEU 26 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2ro3 n LEU 26 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2ro3 n LEU 26 CO 0.22 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.61 2ro3 n ASP 27 N 0.00 0.00 -4.73 -1.43 2.03 -0.09 -5.03 116.55 107.30 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 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 4.22 -0.25 5.18 1.09 -0.58 -4.96 121.20 125.91 2ro3 s ILE 28 Ca 0.00 1.91 -0.11 0.00 -1.10 0.00 0.00 60.65 61.35 2ro3 s ILE 28 Cb 0.00 -4.22 -0.11 0.00 -1.06 0.00 0.00 42.46 37.07 2ro3 s ILE 28 CO 0.00 0.33 -0.31 0.00 -0.10 0.00 0.00 174.94 174.85 2ro3 n ALA 29 N 2.48 1.39 0.00 9.38 0.00 -1.26 -4.62 120.51 127.88 2ro3 n ALA 29 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2ro3 n ALA 29 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -4.03 0.00 0.00 0.00 0.00 -1.26 -4.98 119.36 109.09 2ro3 n ILE 30 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.26 2ro3 n ILE 30 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 39.64 40.47 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 -1.65 0.00 0.00 9.51 5.02 -1.26 -5.07 118.16 124.71 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 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.57 0.00 0.00 4.39 2.03 -1.26 -4.64 116.55 114.50 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 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 7.54 0.00 -3.97 1.67 7.64 -1.26 -5.04 113.62 120.21 2ro3 n SER 33 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 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 0.27 -3.01 0.00 0.00 175.04 172.30 2ro3 s ILE 34 N 0.00 1.03 -0.05 0.44 -4.36 -1.26 -2.15 121.20 114.85 2ro3 s ILE 34 Ca 0.00 -0.37 0.06 0.00 -0.26 0.00 0.00 60.65 60.08 2ro3 s ILE 34 Cb 0.00 -0.99 -0.01 0.00 1.25 0.00 0.00 42.46 42.71 2ro3 s ILE 34 CO 0.00 0.35 -0.23 -0.70 0.24 0.00 0.00 174.94 174.59 2ro3 s GLU 35 N 1.06 2.31 0.12 0.37 2.12 0.61 -4.91 118.70 120.39 2ro3 s GLU 35 Ca -0.07 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.48 2ro3 s GLU 35 Cb -0.14 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 2ro3 s GLU 35 CO -0.01 0.38 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.99 2ro3 s PHE 36 N -0.19 2.85 0.18 5.30 0.08 -1.25 -1.29 117.98 123.66 2ro3 s PHE 36 Ca -0.02 -0.11 0.11 0.00 0.12 0.00 0.00 56.93 57.03 2ro3 s PHE 36 Cb -0.13 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 2ro3 s PHE 36 CO 0.03 0.47 -0.21 0.12 -0.10 0.00 0.00 175.22 175.53 2ro3 s PHE 37 N -1.40 2.38 -0.15 0.36 2.19 0.13 -4.91 117.98 116.58 2ro3 s PHE 37 Ca 0.25 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 57.18 2ro3 s PHE 37 Cb -0.11 -1.19 0.02 0.00 -1.31 0.00 0.00 43.02 40.44 2ro3 s PHE 37 CO 0.17 0.48 -0.14 0.54 1.83 0.00 0.00 175.22 178.10 2ro3 s VAL 38 N -1.60 1.55 -0.58 3.12 0.11 -1.26 0.54 120.40 122.27 2ro3 s VAL 38 Ca 0.21 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2ro3 s VAL 38 Cb -0.08 -1.47 0.15 0.00 -1.53 0.00 0.00 36.38 33.45 2ro3 s VAL 38 CO 0.11 0.44 0.42 -0.62 -3.33 0.00 0.00 175.10 172.12 2ro3 s ASP 39 N 1.49 5.53 0.00 3.54 -1.08 0.15 -4.92 116.67 121.38 2ro3 s ASP 39 Ca 0.05 -2.51 0.00 0.00 -0.52 0.00 0.00 52.55 49.57 2ro3 s ASP 39 Cb -0.13 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 2ro3 s ASP 39 CO -0.10 -0.49 0.00 0.61 0.52 0.00 0.00 175.17 175.71 2ro3 n GLY 40 N 4.02 0.23 0.75 2.66 0.00 -1.26 -0.31 105.19 111.28 2ro3 n GLY 40 Ca 0.04 0.74 0.06 0.00 0.00 0.00 0.00 46.02 46.85 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 2.08 1.47 -4.19 1.61 9.92 -1.26 -5.04 116.55 121.14 2ro3 n ASP 41 Ca 0.00 -3.10 -0.15 0.00 -0.53 0.00 0.00 54.79 51.02 2ro3 n ASP 41 Cb 0.00 -0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 39.95 2ro3 n ASP 41 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ro3 s LYS 42 N -2.02 0.89 0.05 -1.24 2.20 0.57 -5.16 119.74 115.03 2ro3 s LYS 42 Ca 0.33 -1.20 0.09 0.00 -0.36 0.00 0.00 55.97 54.82 2ro3 s LYS 42 Cb 0.33 -0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2ro3 s LYS 42 CO -0.08 0.09 -0.25 0.42 -0.36 0.00 0.00 175.35 175.17 2ro3 s ILE 43 N -2.55 2.03 -0.02 5.43 -1.09 -1.26 0.33 121.20 124.06 2ro3 s ILE 43 Ca 0.07 -1.36 0.06 0.00 -2.23 0.00 0.00 60.65 57.19 2ro3 s ILE 43 Cb -0.02 -1.74 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 2ro3 s ILE 43 CO 0.00 0.31 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.18 2ro3 s ILE 44 N -0.82 1.68 -0.03 2.92 1.01 0.19 -4.92 121.20 121.23 2ro3 s ILE 44 Ca 0.11 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2ro3 s ILE 44 Cb -0.10 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2ro3 s ILE 44 CO 0.02 0.48 -0.16 -0.76 0.00 0.00 0.00 174.94 174.52 2ro3 s LEU 45 N -0.43 1.95 -0.07 2.97 1.02 -1.26 0.22 118.68 123.08 2ro3 s LEU 45 Ca 0.06 -0.32 -0.25 0.00 0.02 0.00 0.00 54.13 53.65 2ro3 s LEU 45 Cb -0.09 -0.88 0.06 0.00 0.02 0.00 0.00 46.19 45.29 2ro3 s LEU 45 CO -0.00 0.16 0.57 -1.59 0.02 0.00 0.00 176.35 175.52 2ro3 s LYS 46 N -0.12 0.90 0.67 1.70 -2.85 -0.41 -4.96 119.74 114.67 2ro3 s LYS 46 Ca 0.00 0.24 -0.17 0.00 -1.00 0.00 0.00 55.97 55.04 2ro3 s LYS 46 Cb -0.09 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2ro3 s LYS 46 CO 0.01 -0.25 1.24 0.21 0.10 0.00 0.00 175.35 176.66 2ro3 s LYS 47 N -0.98 2.49 -0.04 1.78 2.36 -1.26 -0.28 119.74 123.80 2ro3 s LYS 47 Ca -0.10 1.89 -0.22 0.00 -2.55 0.00 0.00 55.97 54.99 2ro3 s LYS 47 Cb -0.02 -1.86 -0.16 0.00 -1.05 0.00 0.00 37.83 34.74 2ro3 s LYS 47 CO 0.07 -1.60 0.94 -0.92 1.55 0.00 0.00 175.35 175.39 2ro3 h TYR 48 N 0.30 -0.20 -0.55 4.03 3.20 -1.79 -3.35 116.97 118.61 2ro3 h TYR 48 Ca -0.50 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.47 2ro3 h TYR 48 Cb 1.31 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.57 2ro3 h TYR 48 CO 0.45 0.24 0.11 -0.22 -1.64 0.00 0.00 178.16 177.10 2ro3 h LYS 49 N -0.82 0.24 -5.69 1.82 1.63 -1.93 -3.24 116.57 108.58 2ro3 h LYS 49 Ca -0.02 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.49 2ro3 h LYS 49 Cb 0.53 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 2ro3 h LYS 49 CO 0.04 0.16 0.69 -2.14 -3.45 0.00 0.00 179.45 174.74 2ro3 s PRO 50 N -6.13 2.49 0.00 1.90 0.02 -1.26 -4.91 135.00 127.12 2ro3 s PRO 50 Ca -0.13 -0.25 0.00 0.00 0.02 0.00 0.00 61.00 60.63 2ro3 s PRO 50 Cb 0.17 -5.05 0.00 0.00 0.02 0.00 0.00 34.50 29.64 2ro3 s PRO 50 CO 0.73 -3.46 0.00 -2.39 -0.33 0.00 0.00 177.00 171.55 2ro3 n HIS 51 N 14.29 0.00 0.00 6.54 1.44 -1.22 -4.81 115.22 131.46 2ro3 n HIS 51 Ca 0.41 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 2ro3 n HIS 51 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 2ro3 n HIS 51 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2ro3 n GLY 52 N 3.60 2.02 3.59 -1.39 0.00 -1.26 -5.01 105.19 106.74 2ro3 n GLY 52 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 5.24 0.00 1.61 0.11 -1.26 -5.32 120.40 120.79 2ro3 s VAL 53 Ca 0.00 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2ro3 s VAL 53 Cb 0.00 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2ro3 s VAL 53 CO 0.00 0.26 0.00 0.00 -3.33 0.00 0.00 175.10 172.03