#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 0.00 -0.07 3.17 4.76 -1.26 -2.83 118.16 121.93 2ro3 n LYS 2 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2ro3 n LYS 2 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 2ro3 n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ro3 h SER 3 N 0.00 0.10 0.26 4.39 0.87 -2.09 -3.39 113.55 113.69 2ro3 h SER 3 Ca 0.00 -0.73 -0.34 0.00 -1.23 0.00 0.00 61.79 59.49 2ro3 h SER 3 Cb 0.00 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2ro3 h SER 3 CO 0.00 1.40 -1.92 -0.38 -0.53 0.00 0.00 176.83 175.40 2ro3 n ILE 4 N -4.33 1.69 -1.86 2.23 5.41 -1.26 -4.98 119.36 116.26 2ro3 n ILE 4 Ca -0.25 -0.71 -0.13 0.00 1.00 0.00 0.00 62.75 62.66 2ro3 n ILE 4 Cb 0.69 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.19 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 1.83 0.53 3.44 7.39 0.00 -1.13 -5.00 105.19 112.25 2ro3 n GLY 5 Ca -0.27 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.58 3.03 -0.02 1.61 -7.23 -1.26 -4.98 120.40 108.97 2ro3 s VAL 6 Ca 0.00 -0.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.52 2ro3 s VAL 6 Cb 0.00 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2ro3 s VAL 6 CO 0.00 0.57 -0.23 0.54 -0.31 0.00 0.00 175.10 175.67 2ro3 s VAL 7 N -0.45 1.84 0.06 1.32 0.11 -1.26 -5.13 120.40 116.89 2ro3 s VAL 7 Ca 0.05 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.20 2ro3 s VAL 7 Cb -0.12 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.17 2ro3 s VAL 7 CO 0.02 0.52 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.96 2ro3 s ARG 8 N -0.48 1.86 -0.26 1.54 3.00 -1.26 -5.10 118.95 118.24 2ro3 s ARG 8 Ca 0.07 -1.10 -0.12 0.00 0.00 0.00 0.00 55.73 54.59 2ro3 s ARG 8 Cb -0.10 -2.08 -0.05 0.00 0.00 0.00 0.00 34.95 32.73 2ro3 s ARG 8 CO -0.00 0.51 0.22 0.15 0.00 0.00 0.00 175.30 176.18 2ro3 s LYS 9 N -1.56 4.01 0.35 3.54 -0.14 -1.26 -5.06 119.74 119.63 2ro3 s LYS 9 Ca 0.14 -0.21 -0.28 0.00 -1.36 0.00 0.00 55.97 54.26 2ro3 s LYS 9 Cb -0.10 -3.61 -0.12 0.00 -1.68 0.00 0.00 37.83 32.32 2ro3 s LYS 9 CO 0.05 -0.11 1.37 0.28 -0.76 0.00 0.00 175.35 176.18 2ro3 n VAL 10 N 4.78 1.95 0.00 3.17 0.31 -1.26 -4.85 118.33 122.42 2ro3 n VAL 10 Ca -0.13 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2ro3 n VAL 10 Cb 0.52 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.73 0.00 0.00 4.52 2.03 0.53 -4.94 116.55 119.43 2ro3 n ASP 11 Ca 0.04 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2ro3 n ASP 11 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.50 0.00 0.08 -0.67 1.02 -1.26 -4.91 120.64 114.41 2ro3 n GLU 12 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2ro3 n GLU 12 Cb 0.00 -0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.44 0.00 -4.62 3.38 -2.03 -3.46 115.31 109.01 2ro3 h LEU 13 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ro3 h LEU 13 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2ro3 h LEU 13 CO 0.00 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2ro3 n GLY 14 N 1.12 -0.80 3.70 0.83 0.00 -1.26 -5.13 105.19 103.65 2ro3 n GLY 14 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.38 0.35 1.61 0.52 -1.26 -4.75 118.95 119.80 2ro3 s ARG 15 Ca 0.00 1.76 0.06 0.00 -0.52 0.00 0.00 55.73 57.03 2ro3 s ARG 15 Cb 0.00 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2ro3 s ARG 15 CO 0.00 -0.36 0.22 0.44 0.02 0.00 0.00 175.30 175.61 2ro3 n ILE 16 N 4.25 0.00 -3.81 1.52 -5.35 -1.26 -0.34 119.36 114.37 2ro3 n ILE 16 Ca 0.10 -2.34 -0.37 0.00 -0.27 0.00 0.00 62.75 59.87 2ro3 n ILE 16 Cb 0.46 1.03 -0.13 0.00 -1.74 0.00 0.00 39.64 39.26 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 -3.20 3.57 0.38 7.28 0.11 -1.26 -5.05 120.40 122.22 2ro3 s VAL 17 Ca 0.31 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.06 2ro3 s VAL 17 Cb 0.01 -2.96 -0.10 0.00 -1.53 0.00 0.00 36.38 31.81 2ro3 s VAL 17 CO 0.22 -0.06 0.97 -0.04 -3.33 0.00 0.00 175.10 172.86 2ro3 s MET 18 N 1.39 4.37 0.53 1.54 1.00 -1.26 -4.96 119.30 121.91 2ro3 s MET 18 Ca -0.01 1.31 -0.03 0.00 0.00 0.00 0.00 55.69 56.96 2ro3 s MET 18 Cb -0.19 -2.54 0.01 0.00 0.00 0.00 0.00 34.83 32.11 2ro3 s MET 18 CO 0.01 0.08 0.80 -1.25 0.00 0.00 0.00 175.02 174.66 2ro3 s PRO 19 N -2.51 2.95 0.48 2.03 0.04 -1.26 -4.94 135.00 131.79 2ro3 s PRO 19 Ca 0.56 -0.24 0.27 0.00 0.04 0.00 0.00 61.00 61.62 2ro3 s PRO 19 Cb -0.16 -2.40 1.33 0.00 0.04 0.00 0.00 34.50 33.31 2ro3 s PRO 19 CO 0.21 -0.53 1.82 0.97 0.04 0.00 0.00 177.00 179.52 2ro3 h ILE 20 N 0.07 0.52 -0.95 0.56 6.09 -1.99 0.15 117.51 121.96 2ro3 h ILE 20 Ca -0.45 -0.06 0.14 0.00 -1.37 0.00 0.00 64.86 63.11 2ro3 h ILE 20 Cb 1.26 0.33 -0.09 0.00 0.47 0.00 0.00 36.82 38.78 2ro3 h ILE 20 CO 0.59 0.03 0.57 -0.33 -3.07 0.00 0.00 178.15 175.94 2ro3 h GLU 21 N 0.18 0.81 -0.25 2.19 4.39 -1.98 0.34 114.58 120.26 2ro3 h GLU 21 Ca 0.52 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 60.06 2ro3 h GLU 21 Cb 1.72 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2ro3 h GLU 21 CO -0.12 0.54 -0.29 1.25 -1.16 0.00 0.00 179.01 179.23 2ro3 h LEU 22 N 0.84 0.69 -0.15 1.33 6.46 -1.07 0.18 115.31 123.58 2ro3 h LEU 22 Ca 0.50 -0.49 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2ro3 h LEU 22 Cb 0.61 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2ro3 h LEU 22 CO -0.31 1.04 0.06 0.03 -0.62 0.00 0.00 178.44 178.63 2ro3 h ARG 23 N 0.35 0.13 0.20 1.25 3.08 -0.89 -0.26 114.38 118.24 2ro3 h ARG 23 Ca 0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ro3 h ARG 23 Cb 0.86 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2ro3 h ARG 23 CO 0.07 0.08 -0.14 0.00 -1.07 0.00 0.00 179.97 178.91 2ro3 h ARG 24 N 0.13 -0.33 -0.45 0.04 3.08 -0.35 -1.30 114.38 115.20 2ro3 h ARG 24 Ca 0.06 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.23 2ro3 h ARG 24 Cb 0.03 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.06 2ro3 h ARG 24 CO -0.06 -0.22 -0.20 0.00 -1.07 0.00 0.00 179.97 178.42 2ro3 h ALA 25 N 0.44 0.14 -3.00 0.04 0.00 -0.37 -3.40 119.26 113.11 2ro3 h ALA 25 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ro3 h ALA 25 Cb 0.30 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ro3 h ALA 25 CO -0.00 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 179.98 2ro3 n LEU 26 N -5.39 0.00 -0.27 0.00 4.77 -0.13 -5.02 117.00 110.96 2ro3 n LEU 26 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2ro3 n LEU 26 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2ro3 n LEU 26 CO 0.10 0.00 0.14 0.47 -1.33 0.00 0.00 177.39 176.76 2ro3 n ASP 27 N 0.00 0.00 -4.70 -1.43 8.00 -1.06 -5.05 116.55 112.31 2ro3 n ASP 27 Ca 0.00 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 2ro3 n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2ro3 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ro3 s ILE 28 N 0.00 3.62 -0.24 0.53 1.09 -0.52 -4.90 121.20 120.78 2ro3 s ILE 28 Ca 0.00 1.06 -0.10 0.00 -1.10 0.00 0.00 60.65 60.51 2ro3 s ILE 28 Cb 0.00 -3.68 -0.17 0.00 -1.06 0.00 0.00 42.46 37.55 2ro3 s ILE 28 CO 0.00 0.02 -0.11 0.00 -0.10 0.00 0.00 174.94 174.76 2ro3 n ALA 29 N 4.93 1.13 0.00 9.38 0.00 -1.26 -4.70 120.51 129.99 2ro3 n ALA 29 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2ro3 n ALA 29 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.91 0.00 0.00 0.00 0.00 -1.26 -4.97 119.36 109.21 2ro3 n ILE 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.30 2ro3 n ILE 30 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.54 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 -0.91 0.00 0.00 9.51 5.02 -1.26 -5.08 118.16 125.44 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 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 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 -2.51 0.00 0.00 4.39 2.03 -1.26 -4.60 116.55 114.60 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 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 8.72 0.00 -3.92 1.67 7.64 -1.26 -5.00 113.62 121.48 2ro3 n SER 33 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 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 1.28 -0.11 0.44 1.09 -1.26 -3.15 121.20 119.48 2ro3 s ILE 34 Ca 0.00 -0.77 -0.00 0.00 -1.10 0.00 0.00 60.65 58.77 2ro3 s ILE 34 Cb 0.00 -1.44 -0.02 0.00 -1.06 0.00 0.00 42.46 39.94 2ro3 s ILE 34 CO 0.00 0.12 -0.11 -0.70 -0.10 0.00 0.00 174.94 174.15 2ro3 s GLU 35 N 1.55 3.21 0.12 2.79 2.12 0.11 -4.91 118.70 123.69 2ro3 s GLU 35 Ca -0.00 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.76 2ro3 s GLU 35 Cb -0.16 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 2ro3 s GLU 35 CO -0.08 0.35 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.88 2ro3 s PHE 36 N 0.02 2.83 0.05 5.30 0.08 -1.26 -1.38 117.98 123.62 2ro3 s PHE 36 Ca -0.03 -0.12 0.08 0.00 0.12 0.00 0.00 56.93 56.98 2ro3 s PHE 36 Cb -0.14 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2ro3 s PHE 36 CO 0.04 0.47 -0.22 0.12 -0.10 0.00 0.00 175.22 175.52 2ro3 s PHE 37 N -1.37 1.92 -0.17 0.36 2.19 0.17 -4.93 117.98 116.14 2ro3 s PHE 37 Ca 0.24 -0.39 -0.01 0.00 0.33 0.00 0.00 56.93 57.11 2ro3 s PHE 37 Cb -0.11 -1.13 -0.00 0.00 -1.31 0.00 0.00 43.02 40.47 2ro3 s PHE 37 CO 0.16 0.11 -0.12 0.54 1.83 0.00 0.00 175.22 177.75 2ro3 s VAL 38 N -0.84 2.88 -0.61 3.12 0.11 -1.26 0.10 120.40 123.91 2ro3 s VAL 38 Ca 0.08 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 2ro3 s VAL 38 Cb -0.09 -2.25 0.16 0.00 -1.53 0.00 0.00 36.38 32.67 2ro3 s VAL 38 CO 0.02 0.49 0.45 -0.62 -3.33 0.00 0.00 175.10 172.11 2ro3 s ASP 39 N 0.99 5.57 0.00 3.54 -1.08 0.17 -4.92 116.67 120.94 2ro3 s ASP 39 Ca -0.02 -2.57 0.00 0.00 -0.52 0.00 0.00 52.55 49.44 2ro3 s ASP 39 Cb -0.15 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 2ro3 s ASP 39 CO -0.02 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.80 2ro3 n GLY 40 N 3.94 0.25 0.50 2.66 0.00 -1.26 -0.31 105.19 110.97 2ro3 n GLY 40 Ca 0.05 0.76 0.06 0.00 0.00 0.00 0.00 46.02 46.89 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 1.81 1.50 -4.19 1.61 8.00 -1.26 -5.05 116.55 118.97 2ro3 n ASP 41 Ca 0.00 -2.92 -0.14 0.00 0.71 0.00 0.00 54.79 52.44 2ro3 n ASP 41 Cb 0.00 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.61 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 -1.97 0.90 0.09 -1.24 2.20 0.58 -5.16 119.74 115.14 2ro3 s LYS 42 Ca 0.27 -1.26 0.10 0.00 -0.36 0.00 0.00 55.97 54.72 2ro3 s LYS 42 Cb 0.26 -0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 2ro3 s LYS 42 CO -0.03 0.07 -0.27 0.42 -0.36 0.00 0.00 175.35 175.18 2ro3 s ILE 43 N -2.84 2.20 -0.04 5.43 -1.09 -1.26 0.45 121.20 124.04 2ro3 s ILE 43 Ca 0.09 -1.58 0.02 0.00 -2.23 0.00 0.00 60.65 56.96 2ro3 s ILE 43 Cb -0.00 -1.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2ro3 s ILE 43 CO -0.01 0.22 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.20 2ro3 s ILE 44 N -0.94 0.88 -0.04 2.92 1.01 0.28 -4.90 121.20 120.40 2ro3 s ILE 44 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.43 2ro3 s ILE 44 Cb -0.10 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 2ro3 s ILE 44 CO 0.04 0.28 -0.17 -0.76 0.00 0.00 0.00 174.94 174.33 2ro3 s LEU 45 N 0.34 1.90 0.04 2.97 1.02 -1.26 0.44 118.68 124.13 2ro3 s LEU 45 Ca -0.06 -0.35 -0.19 0.00 0.02 0.00 0.00 54.13 53.55 2ro3 s LEU 45 Cb -0.11 -0.95 0.04 0.00 0.02 0.00 0.00 46.19 45.19 2ro3 s LEU 45 CO 0.01 0.14 0.43 -1.59 0.02 0.00 0.00 176.35 175.36 2ro3 s LYS 46 N 0.08 0.94 0.61 1.70 -2.85 -0.48 -4.97 119.74 114.78 2ro3 s LYS 46 Ca -0.05 -0.34 -0.18 0.00 -1.00 0.00 0.00 55.97 54.40 2ro3 s LYS 46 Cb -0.12 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2ro3 s LYS 46 CO 0.02 -0.32 1.22 0.21 0.10 0.00 0.00 175.35 176.58 2ro3 s LYS 47 N -2.45 2.86 -0.07 1.78 2.36 -1.25 0.05 119.74 123.02 2ro3 s LYS 47 Ca -0.05 1.86 -0.24 0.00 -2.55 0.00 0.00 55.97 54.99 2ro3 s LYS 47 Cb -0.01 -1.91 -0.19 0.00 -1.05 0.00 0.00 37.83 34.67 2ro3 s LYS 47 CO -0.02 -1.30 0.92 -0.92 1.55 0.00 0.00 175.35 175.58 2ro3 h TYR 48 N 0.76 -0.08 -0.61 4.03 3.20 -1.91 -3.35 116.97 119.01 2ro3 h TYR 48 Ca -0.50 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.47 2ro3 h TYR 48 Cb 1.30 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.48 2ro3 h TYR 48 CO 0.46 0.51 -0.32 -0.22 -1.64 0.00 0.00 178.16 176.95 2ro3 h LYS 49 N -0.79 -0.14 -5.64 1.82 1.63 -1.93 -3.19 116.57 108.32 2ro3 h LYS 49 Ca -0.01 0.01 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 2ro3 h LYS 49 Cb 0.63 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 2ro3 h LYS 49 CO 0.01 -0.09 1.03 -1.25 -3.45 0.00 0.00 179.45 175.70 2ro3 s PRO 50 N -6.01 2.69 0.14 1.90 0.04 -1.26 -4.89 135.00 127.62 2ro3 s PRO 50 Ca -0.14 -0.85 0.01 0.00 0.04 0.00 0.00 61.00 60.06 2ro3 s PRO 50 Cb 0.16 -5.19 -0.00 0.00 0.04 0.00 0.00 34.50 29.50 2ro3 s PRO 50 CO 0.70 -3.49 0.04 -2.39 0.04 0.00 0.00 177.00 171.90 2ro3 n HIS 51 N 13.45 0.08 0.00 0.56 1.44 -1.21 -4.85 115.22 124.68 2ro3 n HIS 51 Ca 0.42 -0.87 0.00 0.00 -2.01 0.00 0.00 57.72 55.26 2ro3 n HIS 51 Cb 0.47 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.57 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 1.45 2.50 3.81 -1.39 0.00 -1.26 -5.04 105.19 105.26 2ro3 n GLY 52 Ca -0.02 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 4.58 -2.00 1.61 0.11 -1.26 -5.32 120.40 118.12 2ro3 s VAL 53 Ca 0.00 1.33 0.06 0.00 -2.93 0.00 0.00 61.98 60.44 2ro3 s VAL 53 Cb 0.00 -3.92 0.17 0.00 -1.53 0.00 0.00 36.38 31.10 2ro3 s VAL 53 CO 0.00 0.36 0.83 0.00 -3.33 0.00 0.00 175.10 172.96