#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9c s ILE 2 N 0.00 4.54 -0.16 1.12 -1.09 -1.26 -4.94 121.20 119.41 1r9c s ILE 2 Ca 0.00 1.83 0.18 0.00 -2.23 0.00 0.00 60.65 60.43 1r9c s ILE 2 Cb 0.00 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 1r9c s ILE 2 CO 0.00 0.01 0.92 -0.33 -1.23 0.00 0.00 174.94 174.31 1r9c h GLU 3 N 7.23 0.00 0.00 2.79 5.08 -2.11 -3.50 114.58 124.07 1r9c h GLU 3 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1r9c h GLU 3 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1r9c h GLU 3 CO 0.86 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 179.50 1r9c n GLY 4 N 1.33 -0.56 3.75 -3.84 0.00 -1.26 -5.10 105.19 99.50 1r9c n GLY 4 Ca -0.06 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1r9c n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r9c s LEU 5 N 0.00 4.53 -0.15 0.99 2.96 -1.26 -4.97 118.68 120.78 1r9c s LEU 5 Ca 0.00 2.12 -0.10 0.00 -0.22 0.00 0.00 54.13 55.93 1r9c s LEU 5 Cb 0.00 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1r9c s LEU 5 CO 0.00 -0.15 -0.19 -0.24 -1.32 0.00 0.00 176.35 174.45 1r9c n SER 6 N 1.93 1.82 -3.72 3.68 2.88 -1.26 -5.00 113.62 113.96 1r9c n SER 6 Ca 0.01 0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 58.10 1r9c n SER 6 Cb 0.46 -0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 63.04 1r9c n SER 6 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1r9c s HIS 7 N -2.31 -0.22 -0.03 0.66 -3.43 -1.26 -4.35 115.29 104.36 1r9c s HIS 7 Ca -0.16 -0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.03 1r9c s HIS 7 Cb 0.02 0.64 -0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1r9c s HIS 7 CO 0.24 -0.91 -0.12 0.00 -2.00 0.00 0.00 174.74 171.95 1r9c s MET 8 N -3.49 1.23 -0.08 -0.38 0.23 -0.74 -5.03 119.30 111.06 1r9c s MET 8 Ca 0.10 -0.42 0.04 0.00 -1.03 0.00 0.00 55.69 54.38 1r9c s MET 8 Cb -0.03 -1.12 -0.00 0.00 -1.53 0.00 0.00 34.83 32.15 1r9c s MET 8 CO 0.01 0.17 -0.22 0.99 -2.03 0.00 0.00 175.02 173.94 1r9c s THR 9 N 0.09 1.87 -0.04 3.16 2.01 -1.26 -1.03 115.64 120.44 1r9c s THR 9 Ca -0.02 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.11 1r9c s THR 9 Cb -0.09 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1r9c s THR 9 CO 0.01 0.52 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.86 1r9c s PHE 10 N 0.19 2.25 -0.18 4.92 0.40 -0.41 -4.98 117.98 120.17 1r9c s PHE 10 Ca -0.12 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 1r9c s PHE 10 Cb -0.16 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1r9c s PHE 10 CO 0.06 -0.13 0.22 0.42 0.70 0.00 0.00 175.22 176.50 1r9c s ILE 11 N -0.34 5.35 0.04 0.64 -1.09 -1.26 -1.56 121.20 122.99 1r9c s ILE 11 Ca 0.03 0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 1r9c s ILE 11 Cb -0.11 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1r9c s ILE 11 CO 0.01 0.41 -0.06 0.68 -1.23 0.00 0.00 174.94 174.76 1r9c s VAL 12 N 0.40 0.39 0.13 2.92 -7.23 -0.10 -4.75 120.40 112.15 1r9c s VAL 12 Ca 0.13 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1r9c s VAL 12 Cb -0.12 -0.76 -0.20 0.00 0.56 0.00 0.00 36.38 35.85 1r9c s VAL 12 CO 0.01 -0.56 1.29 0.03 -0.31 0.00 0.00 175.10 175.56 1r9c h ARG 13 N 4.16 0.19 -3.73 4.82 3.08 -1.86 -1.24 114.38 119.80 1r9c h ARG 13 Ca -0.34 -0.26 -0.55 0.00 0.07 0.00 0.00 59.98 58.90 1r9c h ARG 13 Cb 1.19 0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.93 1r9c h ARG 13 CO 0.47 1.05 -0.77 0.34 -1.07 0.00 0.00 179.97 179.99 1r9c s ASP 14 N -6.96 3.34 0.29 7.04 -1.08 -1.26 -4.71 116.67 113.33 1r9c s ASP 14 Ca -0.03 -1.06 0.07 0.00 -0.52 0.00 0.00 52.55 51.01 1r9c s ASP 14 Cb 0.09 -0.78 0.44 0.00 -1.46 0.00 0.00 42.92 41.21 1r9c s ASP 14 CO 0.84 -0.31 1.68 -0.07 0.52 0.00 0.00 175.17 177.84 1r9c h LEU 15 N 8.15 0.22 -0.36 -1.34 3.38 -1.96 -2.60 115.31 120.79 1r9c h LEU 15 Ca -0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1r9c h LEU 15 Cb 1.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1r9c h LEU 15 CO 0.38 0.64 0.09 -0.33 0.09 0.00 0.00 178.44 179.31 1r9c h GLU 16 N 0.17 0.58 -0.51 1.13 3.07 -1.99 0.92 114.58 117.95 1r9c h GLU 16 Ca 0.01 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.67 1r9c h GLU 16 Cb 0.86 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1r9c h GLU 16 CO 0.07 0.62 0.10 -0.09 -1.40 0.00 0.00 179.01 178.31 1r9c h ARG 17 N 0.44 0.84 -0.49 2.33 9.65 -1.99 -2.32 114.38 122.83 1r9c h ARG 17 Ca 0.11 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 1r9c h ARG 17 Cb 0.30 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1r9c h ARG 17 CO 0.00 0.82 0.16 1.98 2.80 0.00 0.00 179.97 185.73 1r9c h MET 18 N 0.72 0.72 -0.43 0.20 4.05 -1.33 -1.00 114.93 117.85 1r9c h MET 18 Ca 0.16 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1r9c h MET 18 Cb 0.38 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1r9c h MET 18 CO 0.01 0.62 0.22 1.15 0.23 0.00 0.00 176.91 179.14 1r9c h THR 19 N 0.70 1.17 -0.51 -0.77 2.02 -0.58 -0.46 112.91 114.48 1r9c h THR 19 Ca 0.16 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1r9c h THR 19 Cb 0.20 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1r9c h THR 19 CO -0.01 0.18 0.05 -0.09 0.37 0.00 0.00 175.52 176.02 1r9c h ARG 20 N 0.56 0.83 -0.02 6.66 9.65 -0.81 -0.21 114.38 131.04 1r9c h ARG 20 Ca 0.15 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1r9c h ARG 20 Cb 0.09 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1r9c h ARG 20 CO -0.02 0.80 0.00 0.82 2.80 0.00 0.00 179.97 184.37 1r9c h ILE 21 N 0.78 1.24 -0.31 1.20 2.04 -0.77 0.24 117.51 121.93 1r9c h ILE 21 Ca 0.16 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1r9c h ILE 21 Cb 0.40 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1r9c h ILE 21 CO 0.01 0.19 0.14 -0.07 0.00 0.00 0.00 178.15 178.42 1r9c h LEU 22 N -0.25 0.41 -0.45 1.44 3.38 -0.89 0.16 115.31 119.11 1r9c h LEU 22 Ca 0.01 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1r9c h LEU 22 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1r9c h LEU 22 CO 0.00 0.44 -0.27 -0.33 0.09 0.00 0.00 178.44 178.36 1r9c h GLU 23 N 0.36 0.97 -0.12 1.13 5.08 -1.08 -1.54 114.58 119.39 1r9c h GLU 23 Ca 0.11 -0.45 -0.22 0.00 -1.00 0.00 0.00 59.36 57.79 1r9c h GLU 23 Cb 0.14 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1r9c h GLU 23 CO -0.01 1.12 -0.81 0.78 -1.00 0.00 0.00 179.01 179.09 1r9c h GLY 24 N 0.82 0.78 0.00 -3.84 0.00 -0.26 -2.42 103.07 98.15 1r9c h GLY 24 Ca 0.09 -1.13 -0.20 0.00 0.00 0.00 0.00 47.33 46.09 1r9c h GLY 24 CO 0.08 1.01 -1.12 -2.08 0.00 0.00 0.00 176.54 174.42 1r9c h VAL 25 N 0.47 0.97 -0.03 4.60 2.07 -0.78 -3.42 116.25 120.12 1r9c h VAL 25 Ca -0.06 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1r9c h VAL 25 Cb 1.43 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1r9c h VAL 25 CO 0.16 0.33 -0.06 0.49 0.02 0.00 0.00 177.57 178.51 1r9c n PHE 26 N -4.45 0.00 -3.56 1.57 3.01 -0.62 -4.94 117.46 108.46 1r9c n PHE 26 Ca -0.29 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.90 1r9c n PHE 26 Cb 0.65 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.15 1r9c n PHE 26 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1r9c n ASP 27 N 1.03 -5.28 -4.76 4.37 8.00 -0.91 -4.88 116.55 114.12 1r9c n ASP 27 Ca 0.14 -0.56 -0.38 0.00 0.71 0.00 0.00 54.79 54.70 1r9c n ASP 27 Cb 0.55 -4.23 0.02 0.00 -0.02 0.00 0.00 41.12 37.44 1r9c n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9c s ALA 28 N -3.22 2.97 -0.08 2.24 0.00 -0.93 -4.81 121.76 117.94 1r9c s ALA 28 Ca 0.53 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.77 1r9c s ALA 28 Cb -0.26 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 1r9c s ALA 28 CO 0.65 -1.10 -0.19 -0.98 0.00 0.00 0.00 175.76 174.14 1r9c s ARG 29 N -2.70 2.83 -0.00 0.00 1.70 -0.52 -4.40 118.95 115.86 1r9c s ARG 29 Ca 0.66 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 1r9c s ARG 29 Cb -0.38 -2.35 -0.03 0.00 -0.57 0.00 0.00 34.95 31.62 1r9c s ARG 29 CO 0.46 0.36 1.03 -2.00 -1.08 0.00 0.00 175.30 174.07 1r9c s GLU 30 N -0.08 4.51 -0.00 3.89 2.12 -1.26 -1.13 118.70 126.75 1r9c s GLU 30 Ca -0.04 1.49 0.01 0.00 0.36 0.00 0.00 54.97 56.79 1r9c s GLU 30 Cb -0.14 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1r9c s GLU 30 CO 0.04 -0.14 0.05 1.33 -0.54 0.00 0.00 175.26 176.01 1r9c n VAL 31 N 4.01 0.00 -3.77 3.70 0.24 0.16 -4.97 118.33 117.71 1r9c n VAL 31 Ca 0.07 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 1r9c n VAL 31 Cb 0.50 0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 33.74 1r9c n VAL 31 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1r9c s TYR 32 N -1.15 -0.33 0.07 6.34 5.04 -1.04 -4.93 117.35 121.34 1r9c s TYR 32 Ca 0.00 0.80 0.03 0.00 -2.44 0.00 0.00 57.07 55.47 1r9c s TYR 32 Cb 0.01 0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.40 1r9c s TYR 32 CO 0.05 -0.16 -0.09 0.00 -1.34 0.00 0.00 175.55 174.00 1r9c s ALA 33 N 0.23 0.86 0.06 3.97 0.00 -1.26 -1.14 121.76 124.47 1r9c s ALA 33 Ca -0.01 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 1r9c s ALA 33 Cb -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 1r9c s ALA 33 CO -0.00 -0.01 0.45 -1.13 0.00 0.00 0.00 175.76 175.07 1r9c n SER 42 N 1.07 -0.36 0.00 0.00 3.41 -1.26 -5.05 113.62 111.42 1r9c n SER 42 Ca -0.20 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1r9c n SER 42 Cb 0.56 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1r9c n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r9c n ARG 43 N 0.71 -0.64 -4.31 4.33 0.00 -1.26 -5.01 116.66 110.48 1r9c n ARG 43 Ca 0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.74 1r9c n ARG 43 Cb 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.44 1r9c n ARG 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1r9c s GLU 44 N -0.88 1.19 0.10 -0.14 -1.05 -1.26 -1.87 118.70 114.79 1r9c s GLU 44 Ca 0.00 -1.32 0.07 0.00 -0.15 0.00 0.00 54.97 53.57 1r9c s GLU 44 Cb 0.00 -1.28 -0.03 0.00 -0.44 0.00 0.00 34.13 32.38 1r9c s GLU 44 CO 0.00 0.27 -0.17 0.15 0.95 0.00 0.00 175.26 176.46 1r9c s LYS 45 N -2.54 1.02 -0.02 -4.83 1.02 0.02 -4.57 119.74 109.83 1r9c s LYS 45 Ca 0.12 -1.13 0.06 0.00 0.02 0.00 0.00 55.97 55.04 1r9c s LYS 45 Cb -0.07 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.11 1r9c s LYS 45 CO 0.05 0.24 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.48 1r9c s PHE 46 N -1.46 2.54 0.14 3.18 2.99 -0.29 -1.30 117.98 123.78 1r9c s PHE 46 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 56.93 56.75 1r9c s PHE 46 Cb -0.09 -1.55 -0.04 0.00 0.00 0.00 0.00 43.02 41.34 1r9c s PHE 46 CO 0.04 0.12 -0.12 -0.06 -0.00 0.00 0.00 175.22 175.20 1r9c s PHE 47 N -0.72 1.30 -0.14 0.36 0.40 0.12 -0.66 117.98 118.64 1r9c s PHE 47 Ca 0.11 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1r9c s PHE 47 Cb -0.10 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1r9c s PHE 47 CO 0.01 0.11 -0.12 -0.51 0.70 0.00 0.00 175.22 175.41 1r9c s LEU 48 N -2.84 2.76 -0.60 -0.37 1.43 -0.29 0.02 118.68 118.78 1r9c s LEU 48 Ca 0.13 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1r9c s LEU 48 Cb -0.01 -1.63 0.15 0.00 0.03 0.00 0.00 46.19 44.74 1r9c s LEU 48 CO 0.02 0.15 0.47 -0.63 0.23 0.00 0.00 176.35 176.59 1r9c s ILE 49 N 0.44 4.37 0.00 -0.59 1.01 0.76 -1.43 121.20 125.76 1r9c s ILE 49 Ca -0.09 -2.30 0.00 0.00 0.00 0.00 0.00 60.65 58.26 1r9c s ILE 49 Cb -0.16 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1r9c s ILE 49 CO 0.05 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1r9c n GLY 50 N 4.26 2.35 0.85 6.18 0.00 -1.26 -1.71 105.19 115.86 1r9c n GLY 50 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1r9c n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r9c n ASP 51 N 10.35 3.61 -4.57 1.61 5.68 -1.26 -4.91 116.55 127.06 1r9c n ASP 51 Ca 0.00 -2.62 -0.41 0.00 -0.50 0.00 0.00 54.79 51.26 1r9c n ASP 51 Cb 0.00 -0.43 -0.08 0.00 -1.14 0.00 0.00 41.12 39.47 1r9c n ASP 51 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1r9c s ILE 52 N -2.12 5.02 -0.18 2.12 1.01 -0.69 -5.02 121.20 121.34 1r9c s ILE 52 Ca 0.36 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 1r9c s ILE 52 Cb 0.26 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1r9c s ILE 52 CO 0.12 -0.16 1.21 0.86 0.00 0.00 0.00 174.94 176.97 1r9c s TRP 53 N 2.38 2.96 -0.13 3.97 -0.00 -1.26 -0.17 118.94 126.70 1r9c s TRP 53 Ca 0.19 1.11 0.01 0.00 -0.00 0.00 0.00 56.10 57.42 1r9c s TRP 53 Cb -0.15 -3.45 -0.01 0.00 -0.00 0.00 0.00 33.47 29.86 1r9c s TRP 53 CO 0.13 -1.43 -0.17 0.08 -0.00 0.00 0.00 176.95 175.56 1r9c s VAL 54 N 3.40 2.66 -0.08 5.86 1.01 0.10 -1.78 120.40 131.58 1r9c s VAL 54 Ca 0.52 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1r9c s VAL 54 Cb -0.20 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1r9c s VAL 54 CO 0.13 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.70 1r9c s ALA 55 N 0.49 3.01 -0.03 5.51 0.00 -0.20 0.15 121.76 130.70 1r9c s ALA 55 Ca -0.11 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1r9c s ALA 55 Cb -0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1r9c s ALA 55 CO 0.05 0.55 -0.17 0.96 0.00 0.00 0.00 175.76 177.15 1r9c s ILE 56 N -0.73 1.37 0.02 0.00 -4.36 -0.42 -1.29 121.20 115.78 1r9c s ILE 56 Ca 0.11 -0.71 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 1r9c s ILE 56 Cb -0.11 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.42 1r9c s ILE 56 CO 0.02 0.39 -0.10 -0.04 0.24 0.00 0.00 174.94 175.44 1r9c s MET 57 N -0.15 0.73 0.14 0.37 -1.94 -0.60 -0.80 119.30 117.05 1r9c s MET 57 Ca 0.01 -0.57 -0.30 0.00 -1.71 0.00 0.00 55.69 53.11 1r9c s MET 57 Cb -0.09 -0.68 -0.07 0.00 2.01 0.00 0.00 34.83 36.00 1r9c s MET 57 CO 0.01 0.17 1.18 -1.14 -0.01 0.00 0.00 175.02 175.23 1r9c s GLN 58 N -0.86 4.49 0.00 2.03 -0.44 -0.78 -0.93 119.66 123.17 1r9c s GLN 58 Ca -0.00 1.80 0.00 0.00 -2.50 0.00 0.00 55.36 54.66 1r9c s GLN 58 Cb -0.06 -3.29 0.00 0.00 -1.64 0.00 0.00 33.01 28.02 1r9c s GLN 58 CO 0.00 -0.12 0.00 0.41 0.50 0.00 0.00 175.29 176.09 1r9c n GLY 59 N 2.55 -0.86 3.79 2.59 0.00 -0.47 -4.76 105.19 108.03 1r9c n GLY 59 Ca 0.06 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1r9c n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9c s GLU 60 N -0.25 4.03 0.48 1.61 0.41 -1.26 -3.57 118.70 120.15 1r9c s GLU 60 Ca 0.00 0.25 -0.23 0.00 -0.41 0.00 0.00 54.97 54.58 1r9c s GLU 60 Cb 0.00 -3.31 -0.07 0.00 -1.78 0.00 0.00 34.13 28.97 1r9c s GLU 60 CO 0.00 0.48 1.22 -1.59 -0.49 0.00 0.00 175.26 174.88 1r9c s LYS 61 N -0.33 3.59 -0.24 1.61 -2.85 -1.26 -4.76 119.74 115.50 1r9c s LYS 61 Ca 0.21 1.91 -0.38 0.00 -1.00 0.00 0.00 55.97 56.71 1r9c s LYS 61 Cb -0.15 -2.37 -0.14 0.00 -2.06 0.00 0.00 37.83 33.11 1r9c s LYS 61 CO 0.09 -0.73 1.84 1.28 0.10 0.00 0.00 175.35 177.92 1r9c n LEU 62 N -0.63 2.67 -0.23 2.77 4.77 -1.24 -4.82 117.00 120.29 1r9c n LEU 62 Ca 0.08 0.98 0.08 0.00 -0.03 0.00 0.00 56.01 57.12 1r9c n LEU 62 Cb 0.47 -1.22 0.16 0.00 -2.33 0.00 0.00 43.42 40.51 1r9c n LEU 62 CO 0.49 -0.34 0.49 0.00 -1.33 0.00 0.00 177.39 176.70 1r9c n ALA 63 N 6.24 0.28 -2.82 -1.18 0.00 -1.26 -4.65 120.51 117.12 1r9c n ALA 63 Ca 0.27 0.70 -0.14 0.00 0.00 0.00 0.00 53.44 54.27 1r9c n ALA 63 Cb 0.19 -0.49 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 1r9c n ALA 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1r9c s GLU 64 N -5.61 0.60 0.38 0.00 4.04 -1.26 -5.14 118.70 111.71 1r9c s GLU 64 Ca -0.09 -0.78 -0.12 0.00 0.04 0.00 0.00 54.97 54.02 1r9c s GLU 64 Cb 0.19 -0.43 -0.07 0.00 0.02 0.00 0.00 34.13 33.84 1r9c s GLU 64 CO 0.51 0.09 0.77 1.03 -1.84 0.00 0.00 175.26 175.81 1r9c s ARG 65 N -1.56 3.87 0.33 -4.83 0.52 -1.26 -4.99 118.95 111.03 1r9c s ARG 65 Ca -0.08 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 1r9c s ARG 65 Cb -0.10 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1r9c s ARG 65 CO 0.01 0.01 0.48 -1.13 0.02 0.00 0.00 175.30 174.69 1r9c n SER 66 N -1.00 -1.34 -1.12 0.23 3.41 -1.26 -5.06 113.62 107.48 1r9c n SER 66 Ca 0.03 -2.77 0.10 0.00 -0.26 0.00 0.00 58.87 55.97 1r9c n SER 66 Cb 0.54 2.48 0.27 0.00 -0.26 0.00 0.00 64.21 67.23 1r9c n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1r9c n TYR 67 N -0.54 0.79 -1.73 7.33 0.53 -1.26 -4.77 117.16 117.52 1r9c n TYR 67 Ca 0.00 -0.40 -0.42 0.00 -1.02 0.00 0.00 57.90 56.06 1r9c n TYR 67 Cb 0.55 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.85 1r9c n TYR 67 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1r9c n ASN 68 N 1.29 3.49 -3.51 7.72 3.02 -1.26 -5.00 115.26 121.01 1r9c n ASN 68 Ca 0.20 1.16 -0.15 0.00 -0.03 0.00 0.00 54.58 55.76 1r9c n ASN 68 Cb 0.52 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.09 1r9c n ASN 68 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1r9c s HIS 69 N -0.26 -0.56 -0.12 3.10 -3.43 -1.26 -4.26 115.29 108.50 1r9c s HIS 69 Ca 0.63 0.75 -0.01 0.00 -0.80 0.00 0.00 55.06 55.63 1r9c s HIS 69 Cb -0.54 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.02 1r9c s HIS 69 CO 0.52 -0.67 -0.08 0.42 -2.00 0.00 0.00 174.74 172.92 1r9c s ILE 70 N -2.15 3.53 -0.05 -5.38 -1.09 -1.11 -5.01 121.20 109.93 1r9c s ILE 70 Ca -0.07 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 57.90 1r9c s ILE 70 Cb -0.01 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1r9c s ILE 70 CO 0.01 0.54 -0.23 0.00 -1.23 0.00 0.00 174.94 174.03 1r9c s ALA 71 N -0.05 1.98 0.04 9.38 0.00 -1.26 -1.41 121.76 130.45 1r9c s ALA 71 Ca -0.01 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1r9c s ALA 71 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1r9c s ALA 71 CO 0.03 0.38 -0.04 -0.06 0.00 0.00 0.00 175.76 176.07 1r9c s PHE 72 N -0.11 2.93 -0.05 0.00 0.40 -0.09 -4.97 117.98 116.08 1r9c s PHE 72 Ca -0.04 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.07 1r9c s PHE 72 Cb -0.13 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 1r9c s PHE 72 CO 0.03 0.43 0.54 0.21 0.70 0.00 0.00 175.22 177.13 1r9c s LYS 73 N -1.83 4.30 0.22 0.44 2.47 -1.26 -0.98 119.74 123.10 1r9c s LYS 73 Ca 0.21 0.60 0.04 0.00 -1.56 0.00 0.00 55.97 55.26 1r9c s LYS 73 Cb -0.11 -3.38 -0.05 0.00 -1.46 0.00 0.00 37.83 32.83 1r9c s LYS 73 CO 0.12 0.29 -0.03 0.96 0.16 0.00 0.00 175.35 176.85 1r9c s ILE 74 N 0.13 1.15 0.26 5.43 -4.36 -0.42 -4.90 121.20 118.49 1r9c s ILE 74 Ca 0.29 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.40 1r9c s ILE 74 Cb -0.17 -2.27 -0.09 0.00 1.25 0.00 0.00 42.46 41.19 1r9c s ILE 74 CO 0.14 -0.40 0.82 -0.62 0.24 0.00 0.00 174.94 175.12 1r9c s ASP 75 N -3.30 7.19 0.45 4.36 -1.08 -1.26 -4.11 116.67 118.92 1r9c s ASP 75 Ca 0.26 1.60 0.17 0.00 -0.52 0.00 0.00 52.55 54.07 1r9c s ASP 75 Cb 0.05 -2.49 1.11 0.00 -1.46 0.00 0.00 42.92 40.13 1r9c s ASP 75 CO 0.08 -0.00 1.94 -0.78 0.52 0.00 0.00 175.17 176.93 1r9c h ASP 76 N 3.36 0.32 0.78 -0.34 1.82 -1.95 -1.23 116.42 119.18 1r9c h ASP 76 Ca -0.47 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1r9c h ASP 76 Cb 1.19 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1r9c h ASP 76 CO 0.65 0.17 0.00 0.00 -1.61 0.00 0.00 179.24 178.45 1r9c h ALA 77 N 1.67 1.00 -0.20 -0.78 0.00 -1.99 -2.49 119.26 116.47 1r9c h ALA 77 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1r9c h ALA 77 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r9c h ALA 77 CO -0.09 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 1r9c n ASP 78 N -2.92 2.57 0.18 0.00 8.00 -0.47 -4.69 116.55 119.23 1r9c n ASP 78 Ca 0.00 -1.85 -0.14 0.00 0.71 0.00 0.00 54.79 53.51 1r9c n ASP 78 Cb 0.25 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 1r9c n ASP 78 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r9c h PHE 79 N 3.58 -0.48 -0.88 1.24 3.57 -1.49 -1.96 116.94 120.51 1r9c h PHE 79 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1r9c h PHE 79 Cb 0.78 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1r9c h PHE 79 CO 0.12 -0.29 0.55 -0.44 -2.23 0.00 0.00 178.31 176.03 1r9c h ASP 80 N -0.46 0.87 -0.41 0.41 3.32 -1.83 -1.80 116.42 116.52 1r9c h ASP 80 Ca -0.03 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1r9c h ASP 80 Cb 0.38 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1r9c h ASP 80 CO 0.02 0.55 0.19 0.03 -1.72 0.00 0.00 179.24 178.31 1r9c h ARG 81 N 1.00 0.37 -0.50 3.56 -0.00 -1.81 -1.87 114.38 115.13 1r9c h ARG 81 Ca 0.39 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.98 59.75 1r9c h ARG 81 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.05 1r9c h ARG 81 CO -0.18 0.24 -0.05 1.88 0.00 0.00 0.00 179.97 181.87 1r9c h TYR 82 N 0.38 1.02 -0.45 3.04 -1.99 -0.96 -1.47 116.97 116.55 1r9c h TYR 82 Ca 0.18 -0.20 0.04 0.00 2.00 0.00 0.00 58.73 60.75 1r9c h TYR 82 Cb 0.11 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1r9c h TYR 82 CO -0.11 0.97 0.30 0.00 -0.00 0.00 0.00 178.16 179.31 1r9c h ALA 83 N 0.92 1.83 0.00 3.88 0.00 -1.20 -1.83 119.26 122.86 1r9c h ALA 83 Ca 0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1r9c h ALA 83 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r9c h ALA 83 CO 0.04 0.11 -0.89 1.05 0.00 0.00 0.00 179.25 179.56 1r9c h GLU 84 N 0.47 0.21 -0.20 0.00 4.11 -0.79 -2.05 114.58 116.33 1r9c h GLU 84 Ca 0.18 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1r9c h GLU 84 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1r9c h GLU 84 CO -0.05 0.97 0.09 0.00 0.07 0.00 0.00 179.01 180.10 1r9c h ARG 85 N 0.12 0.29 0.02 1.06 3.08 -0.67 0.48 114.38 118.75 1r9c h ARG 85 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1r9c h ARG 85 Cb 1.52 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1r9c h ARG 85 CO 0.14 0.31 -0.01 0.28 -1.07 0.00 0.00 179.97 179.62 1r9c h VAL 86 N 0.19 1.12 -0.53 2.04 2.07 -1.37 -2.99 116.25 116.78 1r9c h VAL 86 Ca 0.07 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1r9c h VAL 86 Cb 0.12 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1r9c h VAL 86 CO -0.01 0.11 0.12 1.23 0.02 0.00 0.00 177.57 179.04 1r9c h GLY 87 N -0.22 0.67 0.93 2.17 0.00 -1.39 -2.60 103.07 102.63 1r9c h GLY 87 Ca -0.00 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.43 1r9c h GLY 87 CO 0.00 -0.08 0.40 0.07 0.00 0.00 0.00 176.54 176.94 1r9c h LYS 88 N 0.26 0.18 -0.01 4.80 2.10 -0.79 0.48 116.57 123.60 1r9c h LYS 88 Ca 0.27 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1r9c h LYS 88 Cb 0.37 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1r9c h LYS 88 CO -0.34 0.12 0.00 1.28 -2.00 0.00 0.00 179.45 178.51 1r9c n LEU 89 N -4.43 0.51 -1.58 7.07 4.77 -0.99 -4.92 117.00 117.43 1r9c n LEU 89 Ca 0.10 -0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 55.74 1r9c n LEU 89 Cb 0.52 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1r9c n LEU 89 CO 0.35 0.09 -0.18 0.61 -1.33 0.00 0.00 177.39 176.92 1r9c n GLY 90 N 1.04 0.70 3.79 -0.72 0.00 0.16 -4.98 105.19 105.19 1r9c n GLY 90 Ca 0.22 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1r9c n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r9c s LEU 91 N -4.27 4.15 -0.26 0.99 1.43 -1.15 -4.97 118.68 114.60 1r9c s LEU 91 Ca 0.00 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 1r9c s LEU 91 Cb 0.00 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1r9c s LEU 91 CO 0.00 -0.34 1.63 -0.62 0.23 0.00 0.00 176.35 177.25 1r9c s ASP 92 N -1.73 6.28 -0.03 2.29 2.15 -1.26 -4.73 116.67 119.64 1r9c s ASP 92 Ca 0.57 1.47 0.04 0.00 0.43 0.00 0.00 52.55 55.06 1r9c s ASP 92 Cb -0.18 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1r9c s ASP 92 CO 0.23 -1.36 -0.14 -0.32 -0.17 0.00 0.00 175.17 173.40 1r9c s MET 93 N 4.88 1.41 0.03 4.34 -2.45 -1.26 -1.38 119.30 124.88 1r9c s MET 93 Ca 0.72 -0.50 -0.30 0.00 -1.25 0.00 0.00 55.69 54.35 1r9c s MET 93 Cb -0.23 -1.28 -0.06 0.00 1.25 0.00 0.00 34.83 34.51 1r9c s MET 93 CO 0.30 0.22 1.34 0.50 1.05 0.00 0.00 175.02 178.44 1r9c s ARG 94 N -0.01 4.33 0.00 4.11 3.52 -0.54 -4.94 118.95 125.42 1r9c s ARG 94 Ca -0.01 1.92 -0.35 0.00 -0.13 0.00 0.00 55.73 57.17 1r9c s ARG 94 Cb -0.09 -3.45 -0.13 0.00 -1.56 0.00 0.00 34.95 29.71 1r9c s ARG 94 CO 0.01 -0.47 1.73 -2.30 -0.81 0.00 0.00 175.30 173.46 1r9c n PRO 95 N 4.75 2.04 -1.70 5.12 -0.02 -1.26 -4.59 135.00 139.34 1r9c n PRO 95 Ca 0.12 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.90 1r9c n PRO 95 Cb 0.44 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1r9c n PRO 95 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1r9c n PRO 96 N 5.10 2.37 -1.82 0.52 -0.02 -1.26 -4.90 135.00 134.99 1r9c n PRO 96 Ca 0.20 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 62.11 1r9c n PRO 96 Cb 0.28 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 1r9c n PRO 96 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1r9c s ARG 97 N 0.07 4.16 -0.76 -0.52 3.03 -1.26 -4.86 118.95 118.81 1r9c s ARG 97 Ca 0.70 2.44 -0.25 0.00 2.03 0.00 0.00 55.73 60.65 1r9c s ARG 97 Cb -0.59 -3.97 -0.16 0.00 -1.03 0.00 0.00 34.95 29.20 1r9c s ARG 97 CO 0.44 -0.88 2.45 -2.30 -1.13 0.00 0.00 175.30 173.88 1r9c n PRO 98 N 6.94 0.53 -0.69 3.89 -0.02 -1.26 -4.98 135.00 139.41 1r9c n PRO 98 Ca 0.18 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1r9c n PRO 98 Cb 0.41 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1r9c n PRO 98 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r9c n ARG 99 N 8.33 0.00 0.00 -0.52 1.74 -1.26 -5.23 116.66 119.71 1r9c n ARG 99 Ca 0.51 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1r9c n ARG 99 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 1r9c n ARG 99 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1r9c n GLU 103 N 0.00 0.00 0.00 5.56 0.00 -1.26 -5.14 120.64 119.80 1r9c n GLU 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1r9c n GLU 103 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1r9c n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1r9c n GLY 104 N 0.00 0.19 3.79 8.31 0.00 -1.26 -5.03 105.19 111.19 1r9c n GLY 104 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 1r9c n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r9c s ARG 105 N 0.00 2.82 0.04 1.61 0.52 -1.26 -4.84 118.95 117.83 1r9c s ARG 105 Ca 0.00 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1r9c s ARG 105 Cb 0.00 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1r9c s ARG 105 CO 0.00 0.44 -0.06 -1.12 0.02 0.00 0.00 175.30 174.57 1r9c s SER 106 N -3.46 0.65 -0.16 0.23 0.01 -1.26 -1.15 113.70 108.57 1r9c s SER 106 Ca 0.31 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1r9c s SER 106 Cb -0.09 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1r9c s SER 106 CO 0.23 -0.25 -0.12 -0.63 0.41 0.00 0.00 173.24 172.88 1r9c s ILE 107 N -1.52 2.93 -0.08 1.44 1.01 0.14 -4.68 121.20 120.45 1r9c s ILE 107 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1r9c s ILE 107 Cb -0.09 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1r9c s ILE 107 CO -0.00 0.50 -0.10 -0.31 0.00 0.00 0.00 174.94 175.03 1r9c s TYR 108 N 0.83 2.85 0.08 3.97 1.51 -1.26 -0.79 117.35 124.54 1r9c s TYR 108 Ca -0.04 -0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 55.69 1r9c s TYR 108 Cb -0.15 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1r9c s TYR 108 CO 0.00 0.16 0.35 -0.59 -1.11 0.00 0.00 175.55 174.35 1r9c s PHE 109 N -0.47 -0.14 0.05 2.71 -0.12 -0.70 -1.47 117.98 117.85 1r9c s PHE 109 Ca 0.06 -0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 1r9c s PHE 109 Cb -0.12 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1r9c s PHE 109 CO 0.02 -0.59 0.21 0.71 -0.05 0.00 0.00 175.22 175.52 1r9c s TYR 110 N -3.17 3.53 0.00 3.49 1.51 -0.48 -1.14 117.35 121.09 1r9c s TYR 110 Ca -0.01 0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.35 1r9c s TYR 110 Cb 0.01 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1r9c s TYR 110 CO -0.07 0.60 0.00 -0.40 -1.11 0.00 0.00 175.55 174.56 1r9c n ASP 111 N 0.43 0.00 -0.34 2.29 5.68 -0.83 -4.02 116.55 119.75 1r9c n ASP 111 Ca -0.06 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.37 1r9c n ASP 111 Cb 0.51 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 1r9c n ASP 111 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1r9c n ASP 112 N 0.00 1.08 -1.24 -1.12 8.00 -1.26 -4.09 116.55 117.92 1r9c n ASP 112 Ca 0.00 -1.32 0.02 0.00 0.71 0.00 0.00 54.79 54.21 1r9c n ASP 112 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1r9c n ASP 112 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r9c n ASP 113 N -0.18 1.69 -1.50 -2.24 8.00 -1.26 -4.96 116.55 116.09 1r9c n ASP 113 Ca 0.20 -3.00 -0.18 0.00 0.71 0.00 0.00 54.79 52.51 1r9c n ASP 113 Cb 0.29 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1r9c n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r9c n ASN 114 N -0.41 -5.16 -4.65 -2.24 3.02 -1.26 -3.71 115.26 100.85 1r9c n ASN 114 Ca 0.15 0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 54.66 1r9c n ASN 114 Cb 0.90 -4.23 -0.07 0.00 -0.61 0.00 0.00 39.78 35.77 1r9c n ASN 114 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1r9c s HIS 115 N -2.71 3.34 -0.02 3.10 3.76 -1.26 -4.69 115.29 116.82 1r9c s HIS 115 Ca 0.00 0.74 -0.26 0.00 -0.15 0.00 0.00 55.06 55.39 1r9c s HIS 115 Cb 0.00 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1r9c s HIS 115 CO 0.00 -0.16 0.79 1.41 -0.85 0.00 0.00 174.74 175.93 1r9c s MET 116 N 1.86 4.49 0.24 1.40 1.75 -1.26 -1.97 119.30 125.80 1r9c s MET 116 Ca 0.23 1.07 0.11 0.00 -1.25 0.00 0.00 55.69 55.86 1r9c s MET 116 Cb -0.15 -3.43 -0.05 0.00 2.84 0.00 0.00 34.83 34.04 1r9c s MET 116 CO 0.09 0.10 -0.21 -0.06 -0.65 0.00 0.00 175.02 174.30 1r9c s PHE 117 N 0.60 2.21 -0.00 4.11 0.40 -0.29 -2.77 117.98 122.23 1r9c s PHE 117 Ca 0.41 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1r9c s PHE 117 Cb -0.19 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1r9c s PHE 117 CO 0.22 0.58 -0.01 -2.00 0.70 0.00 0.00 175.22 174.71 1r9c s GLU 118 N -3.17 0.11 -0.16 0.44 2.12 -0.50 -1.71 118.70 115.83 1r9c s GLU 118 Ca 0.25 -0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 1r9c s GLU 118 Cb -0.06 -0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 1r9c s GLU 118 CO 0.12 0.02 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.26 1r9c s LEU 119 N 0.03 2.89 -0.04 2.70 1.43 0.03 -0.92 118.68 124.80 1r9c s LEU 119 Ca -0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1r9c s LEU 119 Cb -0.01 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1r9c s LEU 119 CO -0.00 0.12 -0.09 -2.28 0.23 0.00 0.00 176.35 174.33 1r9c s HIS 120 N 0.61 1.08 -0.87 0.29 2.46 -0.15 -0.68 115.29 118.03 1r9c s HIS 120 Ca -0.05 -0.33 0.24 0.00 0.47 0.00 0.00 55.06 55.39 1r9c s HIS 120 Cb -0.15 -0.82 0.37 0.00 -0.13 0.00 0.00 32.58 31.85 1r9c s HIS 120 CO 0.03 -0.19 1.31 0.25 -2.47 0.00 0.00 174.74 173.67 1r9c n THR 121 N 3.69 0.10 -2.84 0.89 -2.24 -0.30 -1.30 114.28 112.28 1r9c n THR 121 Ca -0.22 -0.09 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1r9c n THR 121 Cb 0.52 0.20 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1r9c n THR 121 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1r9c s GLY 122 N -3.23 1.80 0.37 3.38 0.00 -1.26 -4.61 107.32 103.77 1r9c s GLY 122 Ca 0.09 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.09 1r9c s GLY 122 CO 0.73 -1.40 -0.04 -0.51 0.00 0.00 0.00 173.10 171.88 1r9c s THR 123 N -2.74 2.17 0.10 0.90 -4.23 -1.26 -4.97 115.64 105.60 1r9c s THR 123 Ca 0.61 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 1r9c s THR 123 Cb -0.07 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 70.84 1r9c s THR 123 CO 0.39 -0.11 1.74 0.25 -0.54 0.00 0.00 174.62 176.35 1r9c h LEU 124 N 1.89 0.00 -0.49 4.79 5.85 -2.00 -1.22 115.31 124.13 1r9c h LEU 124 Ca -0.43 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.40 1r9c h LEU 124 Cb 1.25 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1r9c h LEU 124 CO 0.75 0.01 -0.13 0.74 -0.34 0.00 0.00 178.44 179.47 1r9c h THR 125 N 0.04 0.49 -0.35 1.05 2.02 -1.98 0.17 112.91 114.36 1r9c h THR 125 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1r9c h THR 125 Cb 0.03 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1r9c h THR 125 CO -0.04 0.00 0.21 -0.33 0.37 0.00 0.00 175.52 175.73 1r9c h GLU 126 N -0.02 0.47 -0.91 6.66 5.08 -1.91 -2.64 114.58 121.31 1r9c h GLU 126 Ca 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1r9c h GLU 126 Cb 0.37 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1r9c h GLU 126 CO -0.51 0.34 0.56 -0.09 -1.00 0.00 0.00 179.01 178.32 1r9c h ARG 127 N 0.46 1.22 0.00 2.33 2.43 -0.37 -0.76 114.38 119.69 1r9c h ARG 127 Ca 0.13 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1r9c h ARG 127 Cb -0.01 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1r9c h ARG 127 CO -0.02 0.84 0.00 1.28 -1.51 0.00 0.00 179.97 180.56 1r9c n LEU 128 N -4.37 0.00 -0.62 3.80 4.77 0.53 -5.10 117.00 116.02 1r9c n LEU 128 Ca 0.10 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1r9c n LEU 128 Cb 0.05 -0.35 0.40 0.00 -2.33 0.00 0.00 43.42 41.19 1r9c n LEU 128 CO 0.38 -0.28 0.80 0.00 -1.33 0.00 0.00 177.39 176.96