#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy4 s TYR 2 N 0.00 2.86 0.36 1.12 4.12 -1.26 -5.04 117.35 119.52 1qy4 s TYR 2 Ca 0.00 1.56 -0.10 0.00 0.02 0.00 0.00 57.07 58.54 1qy4 s TYR 2 Cb 0.00 -3.27 -0.07 0.00 -1.52 0.00 0.00 41.96 37.10 1qy4 s TYR 2 CO 0.00 -1.33 0.72 0.15 0.02 0.00 0.00 175.55 175.11 1qy4 s LYS 3 N -2.98 3.80 -0.06 -0.62 1.02 -1.26 -5.03 119.74 114.62 1qy4 s LYS 3 Ca 0.67 0.43 -0.29 0.00 0.02 0.00 0.00 55.97 56.79 1qy4 s LYS 3 Cb -0.24 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1qy4 s LYS 3 CO 0.29 0.06 0.97 -1.21 -0.92 0.00 0.00 175.35 174.53 1qy4 s GLU 4 N -3.56 4.48 0.64 1.68 0.41 -1.26 -5.03 118.70 116.06 1qy4 s GLU 4 Ca 0.50 1.35 -0.16 0.00 -0.41 0.00 0.00 54.97 56.25 1qy4 s GLU 4 Cb -0.10 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.74 1qy4 s GLU 4 CO 0.28 -0.17 1.15 -2.14 -0.49 0.00 0.00 175.26 173.89 1qy4 s PRO 5 N 1.47 2.78 0.11 0.39 0.02 -1.26 -5.04 135.00 133.47 1qy4 s PRO 5 Ca 0.49 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.95 1qy4 s PRO 5 Cb -0.19 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1qy4 s PRO 5 CO 0.22 -1.30 0.37 -0.59 -0.33 0.00 0.00 177.00 175.37 1qy4 s PHE 6 N -2.03 -0.15 -0.03 6.54 -0.71 -1.26 -5.15 117.98 115.19 1qy4 s PHE 6 Ca 0.71 -0.15 0.07 0.00 -1.04 0.00 0.00 56.93 56.52 1qy4 s PHE 6 Cb -0.25 0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1qy4 s PHE 6 CO 0.38 -0.66 -0.23 0.20 -1.34 0.00 0.00 175.22 173.57 1qy4 s GLY 7 N -2.72 1.15 0.04 1.99 0.00 -1.26 -5.14 107.32 101.38 1qy4 s GLY 7 Ca 0.02 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1qy4 s GLY 7 CO -0.11 -0.76 -0.21 -1.34 0.00 0.00 0.00 173.10 170.68 1qy4 s VAL 8 N -0.42 1.71 0.06 1.40 -7.23 -1.26 -5.12 120.40 109.52 1qy4 s VAL 8 Ca 0.06 -1.18 -0.27 0.00 -1.81 0.00 0.00 61.98 58.77 1qy4 s VAL 8 Cb -0.10 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 1qy4 s VAL 8 CO 0.00 0.25 0.84 -0.75 -0.31 0.00 0.00 175.10 175.12 1qy4 s LYS 9 N -1.11 4.56 -0.19 4.82 2.47 -1.26 -4.91 119.74 124.12 1qy4 s LYS 9 Ca 0.08 1.20 -0.01 0.00 -1.56 0.00 0.00 55.97 55.67 1qy4 s LYS 9 Cb -0.09 -3.38 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 1qy4 s LYS 9 CO 0.02 0.23 -0.12 0.08 0.16 0.00 0.00 175.35 175.71 1qy4 s VAL 10 N 0.06 2.74 -0.45 4.02 1.01 -1.26 -2.18 120.40 124.34 1qy4 s VAL 10 Ca 0.42 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1qy4 s VAL 10 Cb -0.21 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1qy4 s VAL 10 CO 0.25 0.49 0.92 -0.62 0.00 0.00 0.00 175.10 176.14 1qy4 s ASP 11 N 1.26 6.52 0.04 3.32 -1.08 -0.65 -4.92 116.67 121.16 1qy4 s ASP 11 Ca 0.03 0.18 0.11 0.00 -0.52 0.00 0.00 52.55 52.36 1qy4 s ASP 11 Cb -0.14 -2.45 0.48 0.00 -1.46 0.00 0.00 42.92 39.35 1qy4 s ASP 11 CO -0.06 -1.02 1.35 0.49 0.52 0.00 0.00 175.17 176.44 1qy4 n PHE 12 N 7.11 0.10 -0.06 -5.34 3.01 -1.26 0.47 117.46 121.49 1qy4 n PHE 12 Ca 0.06 0.04 -0.10 0.00 1.01 0.00 0.00 57.45 58.46 1qy4 n PHE 12 Cb 0.48 -0.57 -0.15 0.00 -0.01 0.00 0.00 39.48 39.24 1qy4 n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1qy4 n GLU 13 N -1.59 0.66 -0.00 -1.08 -0.58 -1.26 -4.51 120.64 112.28 1qy4 n GLU 13 Ca 0.02 0.16 0.04 0.00 -0.42 0.00 0.00 57.16 56.96 1qy4 n GLU 13 Cb 0.12 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 1qy4 n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1qy4 n THR 14 N -2.96 0.00 -0.96 2.62 -2.24 -0.99 -4.99 114.28 104.76 1qy4 n THR 14 Ca -0.26 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1qy4 n THR 14 Cb 1.09 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1qy4 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qy4 n GLY 15 N 1.70 0.54 3.72 3.38 0.00 0.17 -4.90 105.19 109.80 1qy4 n GLY 15 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1qy4 n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qy4 s ILE 16 N -2.37 4.43 -0.17 -0.61 1.01 -1.23 -4.72 121.20 117.55 1qy4 s ILE 16 Ca 0.00 1.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.46 1qy4 s ILE 16 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1qy4 s ILE 16 CO 0.00 0.20 -0.05 -0.63 0.00 0.00 0.00 174.94 174.46 1qy4 s ILE 17 N 0.62 3.65 0.23 2.92 1.01 -1.26 -1.64 121.20 126.73 1qy4 s ILE 17 Ca 0.52 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 1qy4 s ILE 17 Cb -0.25 -2.61 -0.14 0.00 0.01 0.00 0.00 42.46 39.47 1qy4 s ILE 17 CO 0.30 0.47 1.38 -0.62 0.00 0.00 0.00 174.94 176.47 1qy4 n GLU 18 N 3.95 1.93 -0.90 2.79 1.02 -0.93 -2.29 120.64 126.22 1qy4 n GLU 18 Ca -0.18 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1qy4 n GLU 18 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1qy4 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qy4 n GLY 19 N 2.14 0.19 3.87 0.62 0.00 -1.26 -4.78 105.19 105.97 1qy4 n GLY 19 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1qy4 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qy4 s ALA 20 N -1.46 3.12 -0.24 4.61 0.00 -0.97 -4.95 121.76 121.87 1qy4 s ALA 20 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 1qy4 s ALA 20 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1qy4 s ALA 20 CO 0.00 -0.59 0.40 0.21 0.00 0.00 0.00 175.76 175.78 1qy4 s LYS 21 N -4.97 4.08 0.13 0.00 2.20 0.35 -4.81 119.74 116.73 1qy4 s LYS 21 Ca 0.55 0.14 -0.27 0.00 -0.36 0.00 0.00 55.97 56.03 1qy4 s LYS 21 Cb -0.11 -3.61 -0.07 0.00 -1.51 0.00 0.00 37.83 32.53 1qy4 s LYS 21 CO 0.50 -0.21 0.85 0.21 -0.36 0.00 0.00 175.35 176.34 1qy4 s LYS 22 N 1.85 4.63 -0.07 4.03 2.20 -1.26 -1.15 119.74 129.97 1qy4 s LYS 22 Ca 0.17 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.07 1qy4 s LYS 22 Cb -0.15 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1qy4 s LYS 22 CO 0.09 0.38 -0.12 -1.12 -0.36 0.00 0.00 175.35 174.22 1qy4 s SER 23 N -0.53 1.81 -0.12 1.43 0.01 -0.06 -4.98 113.70 111.25 1qy4 s SER 23 Ca 0.40 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1qy4 s SER 23 Cb -0.23 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 1qy4 s SER 23 CO 0.27 0.03 -0.14 -0.69 0.41 0.00 0.00 173.24 173.12 1qy4 s VAL 24 N 0.68 2.94 -0.24 3.43 1.01 -1.26 -0.37 120.40 126.59 1qy4 s VAL 24 Ca -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1qy4 s VAL 24 Cb -0.16 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1qy4 s VAL 24 CO 0.04 0.53 -0.13 -0.13 0.00 0.00 0.00 175.10 175.41 1qy4 s ARG 25 N 0.28 2.41 0.56 2.72 1.81 0.57 -5.02 118.95 122.29 1qy4 s ARG 25 Ca -0.10 -1.20 -0.04 0.00 -1.72 0.00 0.00 55.73 52.66 1qy4 s ARG 25 Cb -0.16 -2.79 0.01 0.00 -0.45 0.00 0.00 34.95 31.56 1qy4 s ARG 25 CO 0.06 -0.48 0.85 1.03 -0.68 0.00 0.00 175.30 176.08 1qy4 s ARG 26 N 1.16 2.94 0.41 3.54 0.52 -1.26 0.37 118.95 126.62 1qy4 s ARG 26 Ca -0.05 -0.13 0.13 0.00 -0.52 0.00 0.00 55.73 55.15 1qy4 s ARG 26 Cb -0.18 -2.34 0.96 0.00 0.52 0.00 0.00 34.95 33.91 1qy4 s ARG 26 CO -0.07 -0.61 1.94 1.25 0.02 0.00 0.00 175.30 177.83 1qy4 h LEU 27 N -0.05 0.46 -2.04 2.53 5.85 0.96 -0.46 115.31 122.57 1qy4 h LEU 27 Ca -0.45 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1qy4 h LEU 27 Cb 1.26 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1qy4 h LEU 27 CO 0.60 0.26 0.06 0.77 -0.34 0.00 0.00 178.44 179.79 1qy4 h SER 28 N 0.50 0.00 0.00 1.25 4.64 -1.88 -0.15 113.55 117.91 1qy4 h SER 28 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1qy4 h SER 28 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1qy4 h SER 28 CO -0.11 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.32 1qy4 n ASP 29 N -4.45 0.00 -2.50 4.97 8.00 -0.18 -3.98 116.55 118.41 1qy4 n ASP 29 Ca -0.01 -1.07 -0.16 0.00 0.71 0.00 0.00 54.79 54.26 1qy4 n ASP 29 Cb 0.17 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1qy4 n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qy4 n MET 30 N -0.77 2.51 -2.22 -1.24 2.81 -0.07 -4.99 117.12 113.15 1qy4 n MET 30 Ca 0.10 -3.90 -0.41 0.00 -1.81 0.00 0.00 57.70 51.68 1qy4 n MET 30 Cb 0.04 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 30.67 1qy4 n MET 30 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1qy4 s GLU 31 N -3.49 4.40 0.00 0.03 2.12 -1.26 -2.65 118.70 117.86 1qy4 s GLU 31 Ca 0.39 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1qy4 s GLU 31 Cb 0.40 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1qy4 s GLU 31 CO -0.05 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1qy4 n GLY 32 N 2.20 0.74 0.10 -1.50 0.00 -1.26 -4.94 105.19 100.53 1qy4 n GLY 32 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1qy4 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qy4 n TYR 33 N -2.35 0.29 -3.94 1.61 4.02 -1.08 -4.89 117.16 110.82 1qy4 n TYR 33 Ca 0.00 0.10 -0.30 0.00 -0.01 0.00 0.00 57.90 57.69 1qy4 n TYR 33 Cb 0.00 -1.05 -0.04 0.00 -0.02 0.00 0.00 39.34 38.23 1qy4 n TYR 33 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1qy4 s PHE 34 N -2.52 3.48 0.05 -0.72 0.40 -1.26 -5.03 117.98 112.37 1qy4 s PHE 34 Ca -0.13 0.21 -0.21 0.00 -0.60 0.00 0.00 56.93 56.20 1qy4 s PHE 34 Cb 0.07 -1.73 -0.13 0.00 0.51 0.00 0.00 43.02 41.74 1qy4 s PHE 34 CO 0.80 0.57 1.42 0.28 0.70 0.00 0.00 175.22 178.98 1qy4 h VAL 35 N 2.05 1.30 -1.72 -0.44 2.07 -1.93 -3.37 116.25 114.21 1qy4 h VAL 35 Ca -0.46 -1.06 -0.69 0.00 0.82 0.00 0.00 66.70 65.30 1qy4 h VAL 35 Cb 1.17 1.69 -0.14 0.00 -1.52 0.00 0.00 31.29 32.49 1qy4 h VAL 35 CO 0.74 0.31 1.50 -0.62 0.02 0.00 0.00 177.57 179.52 1qy4 s ASP 36 N -5.93 6.84 0.39 0.57 -1.08 -1.26 -4.81 116.67 111.39 1qy4 s ASP 36 Ca -0.14 -2.45 0.09 0.00 -0.52 0.00 0.00 52.55 49.53 1qy4 s ASP 36 Cb 0.05 -2.47 0.86 0.00 -1.46 0.00 0.00 42.92 39.90 1qy4 s ASP 36 CO 0.73 -1.03 1.97 -0.08 0.52 0.00 0.00 175.17 177.28 1qy4 h GLU 37 N 7.96 0.59 -0.46 4.34 4.22 -1.97 -0.72 114.58 128.54 1qy4 h GLU 37 Ca 0.30 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.66 1qy4 h GLU 37 Cb 0.92 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1qy4 h GLU 37 CO 1.30 0.39 0.11 0.00 -2.18 0.00 0.00 179.01 178.63 1qy4 h ARG 38 N 0.61 0.73 -0.28 1.92 3.08 -1.96 0.98 114.38 119.47 1qy4 h ARG 38 Ca 0.29 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1qy4 h ARG 38 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1qy4 h ARG 38 CO -0.09 0.73 -0.21 0.00 -1.07 0.00 0.00 179.97 179.33 1qy4 h ALA 39 N 0.97 1.11 0.09 0.04 0.00 -1.70 -0.89 119.26 118.88 1qy4 h ALA 39 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qy4 h ALA 39 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qy4 h ALA 39 CO 0.00 0.55 -0.04 2.35 0.00 0.00 0.00 179.25 182.11 1qy4 h TRP 40 N 0.47 -0.11 -0.84 0.00 7.01 -0.57 -0.84 115.95 121.08 1qy4 h TRP 40 Ca 0.07 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1qy4 h TRP 40 Cb 0.63 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1qy4 h TRP 40 CO 0.02 0.12 0.42 -0.22 -2.79 0.00 0.00 178.44 175.99 1qy4 h LYS 41 N -0.32 1.20 0.59 2.65 3.64 -0.78 0.10 116.57 123.64 1qy4 h LYS 41 Ca -0.01 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1qy4 h LYS 41 Cb 0.27 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1qy4 h LYS 41 CO 0.02 0.90 -0.37 1.49 -2.27 0.00 0.00 179.45 179.22 1qy4 h GLU 42 N 1.19 -0.88 -0.83 1.90 4.81 -0.91 -1.83 114.58 118.02 1qy4 h GLU 42 Ca 0.29 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1qy4 h GLU 42 Cb 0.09 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1qy4 h GLU 42 CO -0.04 -0.59 0.52 1.25 -0.73 0.00 0.00 179.01 179.43 1qy4 h LEU 43 N -0.91 0.97 0.15 1.64 5.85 -0.94 -0.67 115.31 121.39 1qy4 h LEU 43 Ca -0.07 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1qy4 h LEU 43 Cb 0.75 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1qy4 h LEU 43 CO 0.06 0.73 -0.07 0.58 -0.34 0.00 0.00 178.44 179.40 1qy4 h VAL 44 N 1.14 0.97 -0.77 1.05 2.07 -0.89 -1.09 116.25 118.73 1qy4 h VAL 44 Ca 0.30 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qy4 h VAL 44 Cb -0.09 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1qy4 h VAL 44 CO -0.06 0.13 0.49 -0.33 0.02 0.00 0.00 177.57 177.82 1qy4 h GLU 45 N -0.46 0.93 0.23 1.57 5.08 -1.16 -2.13 114.58 118.64 1qy4 h GLU 45 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1qy4 h GLU 45 Cb 0.37 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1qy4 h GLU 45 CO 0.03 0.61 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.33 1qy4 h LYS 46 N 0.96 -0.30 0.00 2.33 3.64 -1.10 -3.44 116.57 118.66 1qy4 h LYS 46 Ca 0.31 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1qy4 h LYS 46 Cb 0.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qy4 h LYS 46 CO -0.11 -0.20 -0.08 -0.85 -2.27 0.00 0.00 179.45 175.94 1qy4 n GLU 47 N -2.98 2.97 -3.58 1.90 0.28 -0.51 -5.09 120.64 113.63 1qy4 n GLU 47 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.78 1qy4 n GLU 47 Cb 0.12 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 32.69 1qy4 n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1qy4 n ASP 48 N -0.44 -5.69 -4.80 -1.84 2.03 -0.60 -4.89 116.55 100.32 1qy4 n ASP 48 Ca 0.00 -0.70 -0.34 0.00 0.52 0.00 0.00 54.79 54.27 1qy4 n ASP 48 Cb 0.00 -2.69 -0.03 0.00 -0.72 0.00 0.00 41.12 37.68 1qy4 n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1qy4 s PRO 49 N -4.35 3.73 0.01 -0.67 0.05 -1.26 -4.52 135.00 127.99 1qy4 s PRO 49 Ca 0.01 1.37 -0.30 0.00 0.05 0.00 0.00 61.00 62.13 1qy4 s PRO 49 Cb -0.00 -2.08 -0.06 0.00 0.05 0.00 0.00 34.50 32.40 1qy4 s PRO 49 CO 0.86 -0.49 1.50 0.08 0.05 0.00 0.00 177.00 179.00 1qy4 s VAL 50 N -2.00 3.50 -0.10 -0.36 1.01 -1.26 0.14 120.40 121.33 1qy4 s VAL 50 Ca 0.67 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 1qy4 s VAL 50 Cb -0.17 -3.56 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 1qy4 s VAL 50 CO 0.22 -0.01 0.46 0.58 0.00 0.00 0.00 175.10 176.34 1qy4 h VAL 51 N 4.97 0.70 -2.98 2.92 2.07 -0.36 -3.44 116.25 120.14 1qy4 h VAL 51 Ca -0.39 -2.42 -0.02 0.00 0.82 0.00 0.00 66.70 64.68 1qy4 h VAL 51 Cb 1.18 2.53 -0.12 0.00 -1.52 0.00 0.00 31.29 33.37 1qy4 h VAL 51 CO 0.92 0.84 0.21 -0.72 0.02 0.00 0.00 177.57 178.84 1qy4 s TYR 52 N -2.57 -0.54 0.04 1.57 -0.85 -0.96 -0.45 117.35 113.59 1qy4 s TYR 52 Ca -0.19 0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.78 1qy4 s TYR 52 Cb 0.07 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 1qy4 s TYR 52 CO 0.79 -0.84 -0.21 -1.21 -1.52 0.00 0.00 175.55 172.56 1qy4 s GLU 53 N -3.70 1.43 -0.07 -3.49 2.02 -0.42 -0.31 118.70 114.16 1qy4 s GLU 53 Ca 0.01 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1qy4 s GLU 53 Cb -0.01 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.70 1qy4 s GLU 53 CO -0.13 0.39 -0.17 0.08 0.02 0.00 0.00 175.26 175.46 1qy4 s VAL 54 N -0.77 1.46 -0.38 2.63 1.01 0.50 -0.71 120.40 124.15 1qy4 s VAL 54 Ca 0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1qy4 s VAL 54 Cb -0.09 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1qy4 s VAL 54 CO 0.02 0.43 0.17 -0.31 0.00 0.00 0.00 175.10 175.41 1qy4 s TYR 55 N 0.43 3.32 -0.11 5.22 1.51 0.94 -0.88 117.35 127.78 1qy4 s TYR 55 Ca -0.13 -1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 54.35 1qy4 s TYR 55 Cb -0.15 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1qy4 s TYR 55 CO 0.05 -0.80 -0.08 0.00 -1.11 0.00 0.00 175.55 173.61 1qy4 s ALA 56 N 1.38 2.89 -0.33 3.71 0.00 -0.30 -1.57 121.76 127.55 1qy4 s ALA 56 Ca 0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 1qy4 s ALA 56 Cb -0.21 -1.31 0.07 0.00 0.00 0.00 0.00 23.12 21.68 1qy4 s ALA 56 CO 0.02 0.40 0.05 0.08 0.00 0.00 0.00 175.76 176.30 1qy4 s VAL 57 N -0.22 2.84 0.15 0.00 1.01 -0.24 -0.49 120.40 123.46 1qy4 s VAL 57 Ca 0.03 -1.75 0.10 0.00 0.00 0.00 0.00 61.98 60.35 1qy4 s VAL 57 Cb -0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1qy4 s VAL 57 CO 0.03 -0.33 -0.20 -1.61 0.00 0.00 0.00 175.10 172.99 1qy4 s GLU 58 N 1.15 1.68 0.43 2.72 2.02 -1.26 -2.18 118.70 123.24 1qy4 s GLU 58 Ca 0.00 -1.32 0.08 0.00 0.02 0.00 0.00 54.97 53.75 1qy4 s GLU 58 Cb -0.20 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1qy4 s GLU 58 CO -0.04 0.45 0.40 -0.65 0.02 0.00 0.00 175.26 175.44 1qy4 s GLN 59 N -2.37 2.52 0.36 1.61 -1.52 -1.26 -5.06 119.66 113.93 1qy4 s GLN 59 Ca 0.19 -1.56 -0.28 0.00 -1.95 0.00 0.00 55.36 51.75 1qy4 s GLN 59 Cb -0.09 -2.38 -0.11 0.00 -0.22 0.00 0.00 33.01 30.21 1qy4 s GLN 59 CO 0.10 -0.24 1.43 -1.21 -0.25 0.00 0.00 175.29 175.12 1qy4 s GLU 60 N -4.16 4.19 -0.42 2.91 2.02 -1.26 -4.84 118.70 117.14 1qy4 s GLU 60 Ca 0.48 2.46 -0.27 0.00 0.02 0.00 0.00 54.97 57.66 1qy4 s GLU 60 Cb -0.03 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 1qy4 s GLU 60 CO 0.28 -0.43 2.24 -2.00 0.02 0.00 0.00 175.26 175.37 1qy4 s GLU 61 N -1.92 2.54 -0.14 1.61 2.12 -1.26 -4.82 118.70 116.82 1qy4 s GLU 61 Ca 0.52 1.47 -0.11 0.00 0.36 0.00 0.00 54.97 57.21 1qy4 s GLU 61 Cb -0.44 -4.47 0.04 0.00 0.26 0.00 0.00 34.13 29.52 1qy4 s GLU 61 CO 0.59 -2.79 0.37 0.21 -0.54 0.00 0.00 175.26 173.10 1qy4 s LYS 62 N 7.39 0.39 0.29 4.30 2.47 -1.26 -4.88 119.74 128.45 1qy4 s LYS 62 Ca 0.93 0.60 -0.29 0.00 -1.56 0.00 0.00 55.97 55.65 1qy4 s LYS 62 Cb -0.21 0.10 -0.13 0.00 -1.46 0.00 0.00 37.83 36.13 1qy4 s LYS 62 CO 0.28 -0.10 1.24 0.39 0.16 0.00 0.00 175.35 177.33 1qy4 n GLU 63 N 3.47 1.86 0.00 4.03 1.02 -1.26 -2.42 120.64 127.34 1qy4 n GLU 63 Ca -0.18 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1qy4 n GLU 63 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1qy4 n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qy4 n GLY 64 N 1.29 2.60 3.93 0.62 0.00 -1.26 -5.02 105.19 107.35 1qy4 n GLY 64 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1qy4 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qy4 s ASP 65 N -1.81 5.37 0.03 1.61 -1.08 -1.01 -4.97 116.67 114.81 1qy4 s ASP 65 Ca 0.00 0.48 0.03 0.00 -0.52 0.00 0.00 52.55 52.54 1qy4 s ASP 65 Cb 0.00 -1.40 -0.02 0.00 -1.46 0.00 0.00 42.92 40.04 1qy4 s ASP 65 CO 0.00 -1.17 -0.10 -0.76 0.52 0.00 0.00 175.17 173.66 1qy4 s LEU 66 N -4.96 2.15 0.22 -1.34 1.43 -1.26 -0.78 118.68 114.13 1qy4 s LEU 66 Ca 0.55 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1qy4 s LEU 66 Cb -0.10 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1qy4 s LEU 66 CO 0.43 -0.02 0.01 0.20 0.23 0.00 0.00 176.35 177.19 1qy4 s ASN 67 N -1.00 4.68 0.05 2.29 0.01 0.04 -4.50 114.94 116.52 1qy4 s ASN 67 Ca -0.01 -0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 51.56 1qy4 s ASN 67 Cb -0.07 -0.94 -0.01 0.00 0.41 0.00 0.00 41.25 40.63 1qy4 s ASN 67 CO 0.01 0.04 0.11 0.72 -1.51 0.00 0.00 177.10 176.47 1qy4 s PHE 68 N -2.02 0.23 -0.26 2.20 -0.12 -0.93 -1.48 117.98 115.60 1qy4 s PHE 68 Ca 0.29 -0.60 -0.24 0.00 -0.05 0.00 0.00 56.93 56.33 1qy4 s PHE 68 Cb -0.08 -0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.23 1qy4 s PHE 68 CO 0.19 -0.42 0.70 0.00 -0.05 0.00 0.00 175.22 175.64 1qy4 s ALA 69 N -3.18 -1.74 0.14 1.99 0.00 0.03 -1.07 121.76 117.93 1qy4 s ALA 69 Ca -0.00 1.98 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1qy4 s ALA 69 Cb 0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1qy4 s ALA 69 CO -0.07 -0.33 0.27 0.95 0.00 0.00 0.00 175.76 176.57 1qy4 s THR 70 N 0.36 5.28 -0.05 0.00 -4.23 -0.61 0.27 115.64 116.66 1qy4 s THR 70 Ca -0.00 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1qy4 s THR 70 Cb -0.05 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1qy4 s THR 70 CO 0.01 -0.07 -0.16 -0.89 -0.54 0.00 0.00 174.62 172.97 1qy4 s THR 71 N -1.72 1.39 -0.33 3.99 2.01 -0.62 -0.04 115.64 120.32 1qy4 s THR 71 Ca 0.34 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1qy4 s THR 71 Cb -0.11 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.23 1qy4 s THR 71 CO 0.28 0.40 0.10 -0.69 -0.69 0.00 0.00 174.62 174.02 1qy4 s VAL 72 N 0.11 3.83 -0.35 3.82 1.01 0.11 -2.19 120.40 126.73 1qy4 s VAL 72 Ca -0.05 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1qy4 s VAL 72 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1qy4 s VAL 72 CO 0.02 -0.12 0.29 -0.22 0.00 0.00 0.00 175.10 175.08 1qy4 s LEU 73 N 1.43 4.58 0.49 3.92 0.20 0.42 -1.30 118.68 128.42 1qy4 s LEU 73 Ca -0.01 -0.43 -0.21 0.00 0.69 0.00 0.00 54.13 54.18 1qy4 s LEU 73 Cb -0.19 -2.21 -0.08 0.00 -0.43 0.00 0.00 46.19 43.28 1qy4 s LEU 73 CO 0.03 -0.30 1.08 -0.31 -0.29 0.00 0.00 176.35 176.55 1qy4 s TYR 74 N 1.82 2.91 0.48 5.38 2.02 0.40 -0.96 117.35 129.40 1qy4 s TYR 74 Ca 0.08 1.57 -0.22 0.00 -0.37 0.00 0.00 57.07 58.13 1qy4 s TYR 74 Cb -0.17 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.15 1qy4 s TYR 74 CO 0.11 -1.10 1.13 -1.25 -1.57 0.00 0.00 175.55 172.87 1qy4 s PRO 75 N -3.13 3.71 0.00 -1.71 0.04 -1.26 -4.73 135.00 127.92 1qy4 s PRO 75 Ca 0.68 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1qy4 s PRO 75 Cb -0.20 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1qy4 s PRO 75 CO 0.24 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1qy4 n GLY 76 N 0.29 1.83 3.08 0.56 0.00 -1.26 -4.96 105.19 104.71 1qy4 n GLY 76 Ca 0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1qy4 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy4 s LYS 77 N -2.00 0.57 -0.46 1.61 1.02 -1.26 -1.34 119.74 117.88 1qy4 s LYS 77 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 1qy4 s LYS 77 Cb 0.00 -0.28 0.12 0.00 -0.52 0.00 0.00 37.83 37.16 1qy4 s LYS 77 CO 0.00 0.04 0.25 0.08 -0.92 0.00 0.00 175.35 174.80 1qy4 s VAL 78 N -1.70 3.23 0.00 3.17 1.01 0.27 -4.90 120.40 121.48 1qy4 s VAL 78 Ca -0.07 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 59.49 1qy4 s VAL 78 Cb -0.08 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1qy4 s VAL 78 CO -0.00 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1qy4 n GLY 79 N 4.16 1.55 0.26 4.51 0.00 -1.26 -1.44 105.19 112.97 1qy4 n GLY 79 Ca 0.02 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1qy4 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qy4 n LYS 80 N 0.17 0.78 -3.20 1.61 5.02 -1.26 -4.95 118.16 116.33 1qy4 n LYS 80 Ca 0.00 -0.54 -0.40 0.00 -2.02 0.00 0.00 58.31 55.35 1qy4 n LYS 80 Cb 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 1qy4 n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qy4 s GLU 81 N -2.66 4.05 0.51 1.97 2.02 -0.52 -1.29 118.70 122.78 1qy4 s GLU 81 Ca 0.13 0.35 -0.23 0.00 0.02 0.00 0.00 54.97 55.24 1qy4 s GLU 81 Cb 0.17 -3.66 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 1qy4 s GLU 81 CO 0.69 -0.39 1.39 1.19 0.02 0.00 0.00 175.26 178.15 1qy4 n PHE 82 N 5.61 2.45 -1.65 1.61 3.01 -1.09 0.94 117.46 128.36 1qy4 n PHE 82 Ca -0.03 0.43 -0.44 0.00 1.01 0.00 0.00 57.45 58.42 1qy4 n PHE 82 Cb 0.49 -2.40 -0.01 0.00 -0.01 0.00 0.00 39.48 37.55 1qy4 n PHE 82 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1qy4 n PHE 83 N -0.75 1.81 -3.96 1.38 3.01 -0.45 -4.79 117.46 113.70 1qy4 n PHE 83 Ca 0.09 0.61 -0.10 0.00 1.01 0.00 0.00 57.45 59.07 1qy4 n PHE 83 Cb 0.43 -2.34 -0.07 0.00 -0.01 0.00 0.00 39.48 37.49 1qy4 n PHE 83 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1qy4 s PHE 84 N -0.98 0.40 0.61 1.38 -0.12 -1.26 -1.63 117.98 116.37 1qy4 s PHE 84 Ca 0.58 -0.76 -0.10 0.00 -0.05 0.00 0.00 56.93 56.60 1qy4 s PHE 84 Cb -0.64 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 1qy4 s PHE 84 CO 0.60 -0.71 0.99 0.95 -0.05 0.00 0.00 175.22 177.00 1qy4 s THR 85 N -3.97 4.48 0.26 -4.49 -4.23 -0.79 -4.91 115.64 101.99 1qy4 s THR 85 Ca 0.17 0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1qy4 s THR 85 Cb 0.03 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1qy4 s THR 85 CO -0.00 -0.97 1.87 0.11 -0.54 0.00 0.00 174.62 175.08 1qy4 h LYS 86 N -0.28 1.05 0.00 3.99 1.57 -1.94 -3.42 116.57 117.55 1qy4 h LYS 86 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1qy4 h LYS 86 Cb 1.21 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1qy4 h LYS 86 CO 0.62 0.70 0.00 0.41 -0.57 0.00 0.00 179.45 180.61 1qy4 n GLY 87 N -1.35 -1.21 3.64 3.86 0.00 -1.26 -4.87 105.19 104.00 1qy4 n GLY 87 Ca 0.15 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1qy4 n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qy4 s HIS 88 N -3.06 -0.16 0.47 1.61 -3.43 -1.10 -4.68 115.29 104.93 1qy4 s HIS 88 Ca 0.00 -0.20 0.04 0.00 -0.80 0.00 0.00 55.06 54.09 1qy4 s HIS 88 Cb 0.00 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1qy4 s HIS 88 CO 0.00 -1.03 0.67 -0.06 -2.00 0.00 0.00 174.74 172.31 1qy4 s PHE 89 N -3.89 2.94 0.57 0.38 0.08 0.24 -1.88 117.98 116.42 1qy4 s PHE 89 Ca 0.10 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.93 1qy4 s PHE 89 Cb -0.03 -2.49 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1qy4 s PHE 89 CO 0.00 -0.56 0.98 -1.01 -0.10 0.00 0.00 175.22 174.53 1qy4 s HIS 90 N -2.55 3.57 0.06 0.36 3.76 -1.26 0.25 115.29 119.48 1qy4 s HIS 90 Ca 0.54 1.28 -0.16 0.00 -0.15 0.00 0.00 55.06 56.57 1qy4 s HIS 90 Cb -0.10 -2.69 -0.17 0.00 1.11 0.00 0.00 32.58 30.73 1qy4 s HIS 90 CO 0.36 -0.54 1.26 0.00 -0.85 0.00 0.00 174.74 174.97 1qy4 h ALA 91 N 0.13 0.24 -2.36 -1.40 0.00 -0.85 -3.30 119.26 111.72 1qy4 h ALA 91 Ca -0.45 -0.53 -0.74 0.00 0.00 0.00 0.00 54.91 53.19 1qy4 h ALA 91 Cb 1.19 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 1qy4 h ALA 91 CO 0.62 0.47 0.49 0.15 0.00 0.00 0.00 179.25 180.99 1qy4 s LYS 92 N -3.74 3.64 0.35 0.00 1.02 -0.81 -4.93 119.74 115.27 1qy4 s LYS 92 Ca -0.12 -2.16 0.16 0.00 0.02 0.00 0.00 55.97 53.87 1qy4 s LYS 92 Cb 0.07 -4.68 1.16 0.00 -0.52 0.00 0.00 37.83 33.86 1qy4 s LYS 92 CO 0.85 -1.53 1.62 -0.07 -0.92 0.00 0.00 175.35 175.30 1qy4 h LEU 93 N 9.05 0.37 -0.61 3.17 3.38 -1.87 -0.60 115.31 128.21 1qy4 h LEU 93 Ca 0.14 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qy4 h LEU 93 Cb 1.02 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qy4 h LEU 93 CO 0.94 -0.27 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 1qy4 n ASP 94 N -5.17 0.74 -4.76 -0.43 3.85 -1.26 -1.01 116.55 108.52 1qy4 n ASP 94 Ca 0.33 -2.03 -0.40 0.00 -0.71 0.00 0.00 54.79 51.99 1qy4 n ASP 94 Cb 1.09 -0.22 -0.06 0.00 -1.35 0.00 0.00 41.12 40.58 1qy4 n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1qy4 s ARG 95 N -1.62 4.66 0.54 0.11 3.00 -0.23 -4.54 118.95 120.86 1qy4 s ARG 95 Ca 0.04 1.28 0.04 0.00 0.00 0.00 0.00 55.73 57.10 1qy4 s ARG 95 Cb 0.03 -3.30 0.05 0.00 0.00 0.00 0.00 34.95 31.73 1qy4 s ARG 95 CO 0.02 0.46 0.75 0.00 0.00 0.00 0.00 175.30 176.53 1qy4 s ALA 96 N -0.81 4.20 0.05 2.13 0.00 -1.26 -4.26 121.76 121.81 1qy4 s ALA 96 Ca 0.39 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1qy4 s ALA 96 Cb -0.24 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 1qy4 s ALA 96 CO 0.28 -0.73 0.12 -1.21 0.00 0.00 0.00 175.76 174.22 1qy4 s GLU 97 N -4.67 0.65 -0.03 0.00 2.02 -0.77 -4.15 118.70 111.74 1qy4 s GLU 97 Ca 0.59 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1qy4 s GLU 97 Cb -0.09 0.26 -0.00 0.00 0.10 0.00 0.00 34.13 34.39 1qy4 s GLU 97 CO 0.38 -0.17 -0.16 0.08 0.02 0.00 0.00 175.26 175.40 1qy4 s VAL 98 N -2.84 1.33 0.06 2.63 1.01 -0.74 -0.68 120.40 121.16 1qy4 s VAL 98 Ca -0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1qy4 s VAL 98 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1qy4 s VAL 98 CO -0.06 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.90 1qy4 s TYR 99 N -0.04 2.46 -0.11 5.22 1.51 0.17 -0.96 117.35 125.60 1qy4 s TYR 99 Ca -0.01 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1qy4 s TYR 99 Cb -0.10 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1qy4 s TYR 99 CO 0.01 0.25 -0.09 0.08 -1.11 0.00 0.00 175.55 174.69 1qy4 s VAL 100 N -0.94 1.09 0.13 0.71 1.01 0.18 -1.12 120.40 121.45 1qy4 s VAL 100 Ca 0.14 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1qy4 s VAL 100 Cb -0.10 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1qy4 s VAL 100 CO 0.05 0.37 0.89 0.00 0.00 0.00 0.00 175.10 176.41 1qy4 s ALA 101 N 1.53 3.32 -0.04 5.51 0.00 0.28 0.03 121.76 132.38 1qy4 s ALA 101 Ca 0.02 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1qy4 s ALA 101 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1qy4 s ALA 101 CO -0.07 0.08 -0.01 1.28 0.00 0.00 0.00 175.76 177.05 1qy4 n LEU 102 N 2.39 1.26 -3.59 0.00 4.77 0.92 -1.19 117.00 121.56 1qy4 n LEU 102 Ca -0.01 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1qy4 n LEU 102 Cb 0.49 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1qy4 n LEU 102 CO 0.49 0.30 0.36 -0.75 -1.33 0.00 0.00 177.39 176.46 1qy4 s LYS 103 N -2.09 0.93 0.75 3.23 2.20 -0.65 -4.70 119.74 119.40 1qy4 s LYS 103 Ca -0.04 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1qy4 s LYS 103 Cb 0.01 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1qy4 s LYS 103 CO 0.13 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1qy4 n GLY 104 N 1.43 -1.96 3.16 5.54 0.00 -1.24 -0.40 105.19 111.71 1qy4 n GLY 104 Ca -0.18 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1qy4 n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qy4 s LYS 105 N 0.00 3.03 0.00 1.61 2.20 -1.26 -4.02 119.74 121.30 1qy4 s LYS 105 Ca 0.00 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1qy4 s LYS 105 Cb 0.00 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1qy4 s LYS 105 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1qy4 n GLY 106 N 4.31 2.51 3.66 5.54 0.00 -0.06 -2.30 105.19 118.86 1qy4 n GLY 106 Ca -0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 1qy4 n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qy4 s GLY 107 N -0.43 -0.33 -0.03 -0.02 0.00 -0.39 -0.47 107.32 105.64 1qy4 s GLY 107 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 44.72 45.37 1qy4 s GLY 107 CO 0.00 0.13 -0.25 -0.29 0.00 0.00 0.00 173.10 172.70 1qy4 s MET 108 N -2.86 2.26 -0.20 2.90 1.75 0.23 -0.39 119.30 122.99 1qy4 s MET 108 Ca 0.12 -0.90 -0.07 0.00 -1.25 0.00 0.00 55.69 53.58 1qy4 s MET 108 Cb 0.01 -2.10 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 1qy4 s MET 108 CO -0.02 0.52 0.07 -1.17 -0.65 0.00 0.00 175.02 173.76 1qy4 s LEU 109 N -0.50 3.69 0.17 4.11 0.20 0.49 -0.70 118.68 126.14 1qy4 s LEU 109 Ca 0.07 -0.01 0.09 0.00 0.69 0.00 0.00 54.13 54.96 1qy4 s LEU 109 Cb -0.11 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1qy4 s LEU 109 CO 0.00 0.11 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.22 1qy4 s LEU 110 N 0.77 2.45 -0.03 -0.68 1.02 0.94 -1.25 118.68 121.89 1qy4 s LEU 110 Ca 0.03 -0.87 -0.25 0.00 0.02 0.00 0.00 54.13 53.06 1qy4 s LEU 110 Cb -0.13 -0.86 0.05 0.00 0.02 0.00 0.00 46.19 45.26 1qy4 s LEU 110 CO 0.02 -0.02 0.54 0.00 0.02 0.00 0.00 176.35 176.91 1qy4 s GLN 111 N -2.83 0.92 0.73 1.70 -2.07 -0.81 -0.39 119.66 116.91 1qy4 s GLN 111 Ca 0.17 0.07 -0.07 0.00 -1.82 0.00 0.00 55.36 53.71 1qy4 s GLN 111 Cb -0.06 0.43 0.08 0.00 -1.09 0.00 0.00 33.01 32.37 1qy4 s GLN 111 CO 0.07 -0.28 1.04 0.95 -1.32 0.00 0.00 175.29 175.75 1qy4 s THR 112 N -1.32 2.24 0.53 3.63 -4.23 -0.77 -0.82 115.64 114.90 1qy4 s THR 112 Ca -0.12 -0.30 0.30 0.00 -1.18 0.00 0.00 61.69 60.39 1qy4 s THR 112 Cb -0.02 -2.94 0.47 0.00 1.34 0.00 0.00 72.50 71.35 1qy4 s THR 112 CO 0.07 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.40 1qy4 h PRO 113 N -0.68 0.03 -0.01 3.99 0.11 -1.93 0.14 132.00 133.66 1qy4 h PRO 113 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qy4 h PRO 113 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qy4 h PRO 113 CO 0.55 0.02 -0.10 0.39 -0.21 0.00 0.00 178.00 178.65 1qy4 n GLU 114 N -4.30 0.97 -0.60 1.05 4.71 -1.26 -4.93 120.64 116.28 1qy4 n GLU 114 Ca 0.18 -0.42 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 1qy4 n GLU 114 Cb 0.91 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.85 1qy4 n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qy4 n GLY 115 N 1.24 0.70 3.71 0.62 0.00 0.50 -5.03 105.19 106.93 1qy4 n GLY 115 Ca 0.16 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1qy4 n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qy4 s ASP 116 N -2.01 6.96 0.09 1.61 1.01 -1.26 -4.61 116.67 118.47 1qy4 s ASP 116 Ca 0.00 2.12 0.04 0.00 0.71 0.00 0.00 52.55 55.42 1qy4 s ASP 116 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1qy4 s ASP 116 CO 0.00 -0.57 0.06 0.00 0.21 0.00 0.00 175.17 174.87 1qy4 s ALA 117 N 1.30 3.48 0.06 5.23 0.00 -1.26 -1.84 121.76 128.73 1qy4 s ALA 117 Ca 0.61 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1qy4 s ALA 117 Cb -0.32 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1qy4 s ALA 117 CO 0.29 0.71 -0.09 0.15 0.00 0.00 0.00 175.76 176.81 1qy4 s LYS 118 N -2.45 0.63 -0.06 0.00 -0.14 0.47 -4.97 119.74 113.22 1qy4 s LYS 118 Ca 0.28 -0.87 0.04 0.00 -1.36 0.00 0.00 55.97 54.06 1qy4 s LYS 118 Cb -0.12 -0.40 0.00 0.00 -1.68 0.00 0.00 37.83 35.63 1qy4 s LYS 118 CO 0.21 0.07 -0.17 -0.46 -0.76 0.00 0.00 175.35 174.24 1qy4 s TRP 119 N -1.60 1.83 -0.16 3.18 -0.11 -1.26 -0.04 118.94 120.77 1qy4 s TRP 119 Ca -0.06 -0.64 -0.00 0.00 1.22 0.00 0.00 56.10 56.62 1qy4 s TRP 119 Cb -0.08 -1.26 0.03 0.00 -1.50 0.00 0.00 33.47 30.66 1qy4 s TRP 119 CO 0.00 -0.26 -0.08 0.42 -4.62 0.00 0.00 176.95 172.41 1qy4 s ILE 120 N 0.33 1.28 0.49 5.86 1.01 0.12 -4.98 121.20 125.32 1qy4 s ILE 120 Ca -0.11 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1qy4 s ILE 120 Cb -0.15 -1.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1qy4 s ILE 120 CO 0.04 0.24 1.10 -0.94 0.00 0.00 0.00 174.94 175.39 1qy4 s SER 121 N 1.57 6.11 -0.04 3.58 1.04 -1.26 -0.60 113.70 124.11 1qy4 s SER 121 Ca 0.02 2.12 0.01 0.00 0.48 0.00 0.00 55.95 58.57 1qy4 s SER 121 Cb -0.14 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1qy4 s SER 121 CO -0.08 -0.95 -0.03 -0.04 0.98 0.00 0.00 173.24 173.12 1qy4 s MET 122 N -3.05 0.60 0.19 4.02 -1.94 0.38 -4.87 119.30 114.63 1qy4 s MET 122 Ca 0.68 -0.03 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 1qy4 s MET 122 Cb -0.22 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 35.89 1qy4 s MET 122 CO 0.27 -0.10 -0.01 -1.83 -0.01 0.00 0.00 175.02 173.34 1qy4 s GLU 123 N 0.92 1.17 0.18 2.03 -1.05 -1.26 -0.88 118.70 119.80 1qy4 s GLU 123 Ca -0.11 -1.57 -0.33 0.00 -0.15 0.00 0.00 54.97 52.81 1qy4 s GLU 123 Cb -0.14 -0.42 -0.15 0.00 -0.44 0.00 0.00 34.13 32.98 1qy4 s GLU 123 CO -0.01 -0.09 1.37 -2.30 0.95 0.00 0.00 175.26 175.19 1qy4 n PRO 124 N -0.29 1.68 0.00 -4.83 -0.02 -1.26 -0.41 135.00 129.87 1qy4 n PRO 124 Ca -0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qy4 n PRO 124 Cb 0.63 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1qy4 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qy4 n GLY 125 N 2.48 3.16 3.72 -1.23 0.00 -0.33 -4.97 105.19 108.03 1qy4 n GLY 125 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1qy4 n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qy4 s THR 126 N -2.91 2.38 -0.12 2.61 2.01 0.45 -4.78 115.64 115.28 1qy4 s THR 126 Ca 0.00 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1qy4 s THR 126 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1qy4 s THR 126 CO 0.00 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.17 1qy4 s VAL 127 N 1.00 3.36 -0.10 3.82 1.01 -1.26 -0.55 120.40 127.67 1qy4 s VAL 127 Ca 0.70 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1qy4 s VAL 127 Cb -0.46 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1qy4 s VAL 127 CO 0.33 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 175.11 1qy4 s VAL 128 N 0.14 2.77 -0.35 2.92 1.01 -0.28 -4.95 120.40 121.68 1qy4 s VAL 128 Ca -0.05 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1qy4 s VAL 128 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1qy4 s VAL 128 CO 0.04 0.55 0.47 -0.47 0.00 0.00 0.00 175.10 175.69 1qy4 s TYR 129 N 0.03 3.19 -0.42 5.22 6.14 -1.26 -0.66 117.35 129.59 1qy4 s TYR 129 Ca -0.06 0.13 -0.16 0.00 0.64 0.00 0.00 57.07 57.62 1qy4 s TYR 129 Cb -0.15 -2.85 0.03 0.00 0.42 0.00 0.00 41.96 39.41 1qy4 s TYR 129 CO 0.05 -0.51 0.34 0.08 0.64 0.00 0.00 175.55 176.15 1qy4 s VAL 130 N 2.29 5.22 0.87 3.14 1.01 0.14 -5.00 120.40 128.07 1qy4 s VAL 130 Ca 0.17 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1qy4 s VAL 130 Cb -0.16 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.36 1qy4 s VAL 130 CO 0.13 -0.36 1.10 -2.84 0.00 0.00 0.00 175.10 173.12 1qy4 s PRO 131 N 1.78 1.48 0.45 2.72 0.02 -1.26 -1.84 135.00 138.34 1qy4 s PRO 131 Ca 0.06 0.66 -0.22 0.00 0.02 0.00 0.00 61.00 61.52 1qy4 s PRO 131 Cb -0.19 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 1qy4 s PRO 131 CO 0.10 -2.05 0.79 -2.30 -0.33 0.00 0.00 177.00 173.22 1qy4 n PRO 132 N -3.72 0.93 -0.91 5.54 -0.02 -1.26 -2.87 135.00 132.69 1qy4 n PRO 132 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1qy4 n PRO 132 Cb 0.56 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1qy4 n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qy4 n TYR 133 N -0.86 0.00 -3.99 6.00 4.01 -0.18 -4.96 117.16 117.17 1qy4 n TYR 133 Ca 0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.50 1qy4 n TYR 133 Cb 0.41 -0.36 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 1qy4 n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1qy4 s TRP 134 N -3.05 3.24 0.56 -0.72 0.52 -1.14 -4.13 118.94 114.23 1qy4 s TRP 134 Ca 0.00 0.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.01 1qy4 s TRP 134 Cb 0.00 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 1qy4 s TRP 134 CO 0.00 0.12 1.02 0.00 0.02 0.00 0.00 176.95 178.12 1qy4 s ALA 135 N 0.45 2.90 -0.06 0.98 0.00 0.00 -4.76 121.76 121.27 1qy4 s ALA 135 Ca 0.03 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 1qy4 s ALA 135 Cb -0.13 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1qy4 s ALA 135 CO 0.01 -0.57 0.32 -3.38 0.00 0.00 0.00 175.76 172.14 1qy4 s HIS 136 N -2.59 -0.26 -0.03 0.00 -3.43 -0.79 -1.92 115.29 106.27 1qy4 s HIS 136 Ca 0.61 0.52 -0.03 0.00 -0.80 0.00 0.00 55.06 55.35 1qy4 s HIS 136 Cb -0.13 0.11 0.01 0.00 -1.43 0.00 0.00 32.58 31.14 1qy4 s HIS 136 CO 0.36 -0.31 0.09 0.50 -2.00 0.00 0.00 174.74 173.38 1qy4 s ARG 137 N -0.74 0.13 0.21 -0.38 3.52 -0.38 -2.73 118.95 118.58 1qy4 s ARG 137 Ca -0.08 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.67 1qy4 s ARG 137 Cb -0.04 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 1qy4 s ARG 137 CO 0.03 -0.02 0.13 0.95 -0.81 0.00 0.00 175.30 175.58 1qy4 s THR 138 N -0.05 4.25 -0.03 4.11 -4.23 -1.26 -0.38 115.64 118.04 1qy4 s THR 138 Ca -0.01 -1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1qy4 s THR 138 Cb -0.01 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1qy4 s THR 138 CO 0.00 -0.24 0.06 -0.69 -0.54 0.00 0.00 174.62 173.21 1qy4 s VAL 139 N -1.98 -0.02 -0.41 2.29 1.01 0.47 -1.88 120.40 119.89 1qy4 s VAL 139 Ca 0.31 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1qy4 s VAL 139 Cb -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1qy4 s VAL 139 CO 0.23 0.02 0.33 0.21 0.00 0.00 0.00 175.10 175.89 1qy4 s ASN 140 N 0.35 6.13 -0.07 3.32 3.84 -0.65 -1.26 114.94 126.59 1qy4 s ASN 140 Ca -0.03 -0.81 0.19 0.00 0.21 0.00 0.00 52.86 52.42 1qy4 s ASN 140 Cb -0.04 -2.17 0.65 0.00 -0.55 0.00 0.00 41.25 39.14 1qy4 s ASN 140 CO -0.01 -0.47 1.56 2.30 -2.79 0.00 0.00 177.10 177.69 1qy4 n ILE 141 N 5.22 1.54 -3.15 -5.21 -5.35 -0.97 -4.31 119.36 107.12 1qy4 n ILE 141 Ca -0.10 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 1qy4 n ILE 141 Cb 0.47 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1qy4 n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qy4 n GLY 142 N 1.13 7.19 0.27 3.28 0.00 -1.20 -4.95 105.19 110.91 1qy4 n GLY 142 Ca 0.24 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1qy4 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qy4 n ASP 143 N -0.17 1.46 -4.50 1.61 8.00 -1.26 -4.55 116.55 117.14 1qy4 n ASP 143 Ca 0.00 -1.23 -0.26 0.00 0.71 0.00 0.00 54.79 54.01 1qy4 n ASP 143 Cb 0.00 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 1qy4 n ASP 143 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qy4 s GLU 144 N -2.39 1.87 0.46 -1.24 0.41 -1.26 -4.79 118.70 111.76 1qy4 s GLU 144 Ca 0.12 -2.09 -0.25 0.00 -0.41 0.00 0.00 54.97 52.34 1qy4 s GLU 144 Cb 0.15 -1.17 -0.08 0.00 -1.78 0.00 0.00 34.13 31.25 1qy4 s GLU 144 CO 0.59 -0.22 1.44 -2.30 -0.49 0.00 0.00 175.26 174.28 1qy4 n PRO 145 N -0.90 2.25 -3.79 0.39 -0.02 -1.26 -4.13 135.00 127.54 1qy4 n PRO 145 Ca -0.06 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 1qy4 n PRO 145 Cb 0.67 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1qy4 n PRO 145 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qy4 s PHE 146 N -1.19 3.09 -0.07 6.00 5.36 -0.13 -3.71 117.98 127.31 1qy4 s PHE 146 Ca 0.61 -0.76 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 1qy4 s PHE 146 Cb -0.45 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.02 1qy4 s PHE 146 CO 0.57 -0.49 -0.19 0.42 -1.46 0.00 0.00 175.22 174.07 1qy4 s ILE 147 N 1.54 1.66 0.13 3.12 1.01 0.47 -0.44 121.20 128.69 1qy4 s ILE 147 Ca 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1qy4 s ILE 147 Cb -0.16 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1qy4 s ILE 147 CO 0.02 0.47 0.15 0.72 0.00 0.00 0.00 174.94 176.30 1qy4 s PHE 148 N 0.33 0.55 -0.08 3.97 -0.71 -0.93 -0.06 117.98 121.05 1qy4 s PHE 148 Ca -0.13 -0.95 0.03 0.00 -1.04 0.00 0.00 56.93 54.83 1qy4 s PHE 148 Cb -0.16 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 1qy4 s PHE 148 CO 0.06 -0.58 -0.16 -1.17 -1.34 0.00 0.00 175.22 172.03 1qy4 s LEU 149 N -2.98 2.61 -0.01 -1.99 2.96 0.10 -1.58 118.68 117.80 1qy4 s LEU 149 Ca 0.17 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1qy4 s LEU 149 Cb 0.06 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 1qy4 s LEU 149 CO -0.02 0.26 -0.25 0.00 -1.32 0.00 0.00 176.35 175.02 1qy4 s ALA 150 N -0.24 2.25 -0.12 5.97 0.00 0.14 0.47 121.76 130.23 1qy4 s ALA 150 Ca 0.01 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1qy4 s ALA 150 Cb -0.13 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1qy4 s ALA 150 CO 0.03 0.54 -0.16 0.42 0.00 0.00 0.00 175.76 176.58 1qy4 s ILE 151 N -0.68 1.59 0.02 0.00 1.09 -0.13 -0.79 121.20 122.30 1qy4 s ILE 151 Ca 0.11 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 58.97 1qy4 s ILE 151 Cb -0.10 -1.45 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 1qy4 s ILE 151 CO 0.00 0.46 -0.04 -0.72 -0.10 0.00 0.00 174.94 174.54 1qy4 s TYR 152 N 1.01 0.33 0.22 3.97 1.13 -0.55 -1.79 117.35 121.68 1qy4 s TYR 152 Ca -0.05 -0.37 -0.32 0.00 -1.41 0.00 0.00 57.07 54.91 1qy4 s TYR 152 Cb -0.15 -0.22 -0.13 0.00 -1.10 0.00 0.00 41.96 40.36 1qy4 s TYR 152 CO -0.03 -0.11 1.47 -2.30 -2.51 0.00 0.00 175.55 172.08 1qy4 n PRO 153 N 1.99 2.14 0.18 -3.49 -0.02 -1.26 -0.78 135.00 133.76 1qy4 n PRO 153 Ca -0.20 0.77 0.18 0.00 -2.02 0.00 0.00 63.50 62.22 1qy4 n PRO 153 Cb 0.56 -2.47 0.71 0.00 -0.02 0.00 0.00 33.50 32.29 1qy4 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qy4 h ALA 154 N 4.74 1.86 -0.41 3.55 0.00 -1.21 -0.74 119.26 127.05 1qy4 h ALA 154 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qy4 h ALA 154 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qy4 h ALA 154 CO 0.80 -0.62 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 1qy4 n ASP 155 N -3.30 3.63 -0.14 0.00 5.75 -1.26 -4.20 116.55 117.03 1qy4 n ASP 155 Ca 0.04 -2.36 -0.12 0.00 -0.01 0.00 0.00 54.79 52.35 1qy4 n ASP 155 Cb 0.61 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 1qy4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qy4 h ALA 156 N 2.55 0.62 -2.69 2.12 0.00 -1.47 -3.40 119.26 116.99 1qy4 h ALA 156 Ca 0.00 -0.39 0.28 0.00 0.00 0.00 0.00 54.91 54.80 1qy4 h ALA 156 Cb 1.09 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1qy4 h ALA 156 CO 0.11 0.61 -0.37 0.41 0.00 0.00 0.00 179.25 180.01 1qy4 n GLY 157 N -0.05 -1.74 2.87 0.00 0.00 -1.26 -0.51 105.19 104.50 1qy4 n GLY 157 Ca -0.01 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 1qy4 n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qy4 s HIS 158 N -1.66 0.85 -0.51 1.61 3.76 -1.26 -3.59 115.29 114.49 1qy4 s HIS 158 Ca 0.00 -0.27 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 1qy4 s HIS 158 Cb 0.00 -0.78 0.13 0.00 1.11 0.00 0.00 32.58 33.04 1qy4 s HIS 158 CO 0.00 -0.26 0.43 0.34 -0.85 0.00 0.00 174.74 174.39 1qy4 s ASP 159 N 1.23 5.94 0.08 1.40 2.15 0.14 -4.68 116.67 122.92 1qy4 s ASP 159 Ca -0.06 -1.90 0.21 0.00 0.43 0.00 0.00 52.55 51.23 1qy4 s ASP 159 Cb -0.14 -2.10 -0.15 0.00 -0.30 0.00 0.00 42.92 40.24 1qy4 s ASP 159 CO -0.02 -0.76 0.77 -1.22 -0.17 0.00 0.00 175.17 173.77 1qy4 n TYR 160 N 5.01 0.62 -0.02 -5.34 4.02 -1.26 -0.59 117.16 119.60 1qy4 n TYR 160 Ca -0.10 0.19 -0.10 0.00 -0.01 0.00 0.00 57.90 57.88 1qy4 n TYR 160 Cb 0.41 -0.85 -0.04 0.00 -0.02 0.00 0.00 39.34 38.84 1qy4 n TYR 160 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1qy4 h GLY 161 N 3.95 0.13 1.24 2.72 0.00 -1.91 -0.50 103.07 108.70 1qy4 h GLY 161 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1qy4 h GLY 161 CO 0.01 -0.02 0.51 -0.84 0.00 0.00 0.00 176.54 176.21 1qy4 h THR 162 N 0.06 1.20 -0.01 4.70 2.02 -1.98 -2.33 112.91 116.56 1qy4 h THR 162 Ca 0.06 -0.36 -0.26 0.00 0.77 0.00 0.00 66.41 66.63 1qy4 h THR 162 Cb 0.07 0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1qy4 h THR 162 CO -0.10 0.19 -1.00 0.40 0.37 0.00 0.00 175.52 175.38 1qy4 h ILE 163 N 1.05 1.30 -0.81 3.11 1.08 -1.82 -2.97 117.51 118.46 1qy4 h ILE 163 Ca 0.28 -2.26 0.08 0.00 -0.39 0.00 0.00 64.86 62.57 1qy4 h ILE 163 Cb -0.12 2.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 1qy4 h ILE 163 CO -0.06 0.70 0.53 0.00 -0.69 0.00 0.00 178.15 178.62 1qy4 h ALA 164 N 0.49 1.68 0.00 1.87 0.00 -0.73 0.69 119.26 123.26 1qy4 h ALA 164 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1qy4 h ALA 164 Cb 1.65 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1qy4 h ALA 164 CO 0.19 0.17 -0.08 1.49 0.00 0.00 0.00 179.25 181.02 1qy4 h GLU 165 N 0.81 0.00 0.00 0.00 4.81 -1.49 -3.42 114.58 115.29 1qy4 h GLU 165 Ca 0.36 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.38 1qy4 h GLU 165 Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1qy4 h GLU 165 CO -0.13 0.81 -2.18 1.63 -0.73 0.00 0.00 179.01 178.41 1qy4 n LYS 166 N -4.63 0.67 0.00 1.92 5.02 -1.12 -5.10 118.16 114.93 1qy4 n LYS 166 Ca -0.09 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1qy4 n LYS 166 Cb 0.40 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1qy4 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qy4 n GLY 167 N 1.54 -1.41 3.86 0.72 0.00 0.24 -4.66 105.19 105.49 1qy4 n GLY 167 Ca -0.20 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1qy4 n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qy4 s PHE 168 N 0.00 3.40 0.35 1.61 0.40 -1.26 -4.72 117.98 117.76 1qy4 s PHE 168 Ca 0.00 0.20 0.35 0.00 -0.60 0.00 0.00 56.93 56.88 1qy4 s PHE 168 Cb 0.00 -1.72 1.89 0.00 0.51 0.00 0.00 43.02 43.70 1qy4 s PHE 168 CO 0.00 0.57 2.06 0.66 0.70 0.00 0.00 175.22 179.21 1qy4 h SER 169 N 3.26 0.00 -2.76 1.36 4.64 -1.87 -3.43 113.55 114.74 1qy4 h SER 169 Ca -0.46 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.34 1qy4 h SER 169 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 1qy4 h SER 169 CO 0.71 0.00 -0.68 -0.54 -0.87 0.00 0.00 176.83 175.46 1qy4 s LYS 170 N -3.91 1.59 0.09 4.77 -0.14 -1.26 -1.57 119.74 119.31 1qy4 s LYS 170 Ca -0.04 -1.80 0.02 0.00 -1.36 0.00 0.00 55.97 52.78 1qy4 s LYS 170 Cb 0.10 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.96 1qy4 s LYS 170 CO 0.32 0.06 -0.07 0.96 -0.76 0.00 0.00 175.35 175.86 1qy4 s ILE 171 N -2.94 0.66 -0.17 2.17 -4.36 0.29 -4.67 121.20 112.18 1qy4 s ILE 171 Ca 0.30 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1qy4 s ILE 171 Cb 0.03 -1.53 0.02 0.00 1.25 0.00 0.00 42.46 42.23 1qy4 s ILE 171 CO 0.13 -0.81 -0.18 -0.69 0.24 0.00 0.00 174.94 173.63 1qy4 s VAL 172 N -3.33 1.91 0.17 8.37 1.01 -1.26 -1.06 120.40 126.21 1qy4 s VAL 172 Ca 0.09 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1qy4 s VAL 172 Cb 0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1qy4 s VAL 172 CO -0.04 0.49 0.04 0.27 0.00 0.00 0.00 175.10 175.86 1qy4 s ILE 173 N 1.35 0.41 -0.27 2.22 -4.36 -0.35 -2.65 121.20 117.54 1qy4 s ILE 173 Ca 0.04 -1.96 -0.15 0.00 -0.26 0.00 0.00 60.65 58.33 1qy4 s ILE 173 Cb -0.13 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 1qy4 s ILE 173 CO -0.12 -0.39 0.36 -0.70 0.24 0.00 0.00 174.94 174.34 1qy4 s GLU 174 N -3.99 4.00 -0.08 0.37 2.12 -0.42 -0.52 118.70 120.17 1qy4 s GLU 174 Ca 0.27 0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 1qy4 s GLU 174 Cb 0.07 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.82 1qy4 s GLU 174 CO 0.05 -0.28 -0.05 -2.00 -0.54 0.00 0.00 175.26 172.44 1qy4 s GLU 175 N 2.06 1.09 -1.44 4.30 2.12 -0.39 -4.80 118.70 121.63 1qy4 s GLU 175 Ca 0.14 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.31 1qy4 s GLU 175 Cb -0.16 -1.20 0.03 0.00 0.26 0.00 0.00 34.13 33.07 1qy4 s GLU 175 CO 0.10 -0.21 0.64 0.09 -0.54 0.00 0.00 175.26 175.34 1qy4 n ASN 176 N 4.70 -1.68 0.00 -1.70 5.03 -1.26 -1.19 115.26 119.16 1qy4 n ASN 176 Ca -0.14 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.39 1qy4 n ASN 176 Cb 0.50 -3.44 0.00 0.00 -1.02 0.00 0.00 39.78 35.82 1qy4 n ASN 176 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qy4 n GLY 177 N -1.75 2.36 3.75 7.41 0.00 -1.26 -4.98 105.19 110.72 1qy4 n GLY 177 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1qy4 n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qy4 s GLU 178 N 0.00 2.98 0.08 1.61 2.02 -0.33 -5.07 118.70 119.99 1qy4 s GLU 178 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 1qy4 s GLU 178 Cb 0.00 -2.80 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 1qy4 s GLU 178 CO 0.00 0.65 1.17 0.08 0.02 0.00 0.00 175.26 177.18 1qy4 s VAL 179 N -1.13 4.05 0.01 2.63 1.01 -1.26 -1.26 120.40 124.45 1qy4 s VAL 179 Ca 0.21 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.72 1qy4 s VAL 179 Cb -0.12 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1qy4 s VAL 179 CO 0.12 0.14 -0.07 -0.54 0.00 0.00 0.00 175.10 174.75 1qy4 s LYS 180 N 0.81 0.50 -0.28 2.72 1.02 0.32 -4.94 119.74 119.89 1qy4 s LYS 180 Ca 0.57 -0.41 -0.07 0.00 0.02 0.00 0.00 55.97 56.07 1qy4 s LYS 180 Cb -0.29 -0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1qy4 s LYS 180 CO 0.30 0.10 0.09 0.08 -0.92 0.00 0.00 175.35 175.00 1qy4 s VAL 181 N -0.57 4.20 0.25 3.17 1.01 -1.26 -1.21 120.40 125.99 1qy4 s VAL 181 Ca -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1qy4 s VAL 181 Cb -0.05 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1qy4 s VAL 181 CO 0.00 0.18 0.06 0.68 0.00 0.00 0.00 175.10 176.02 1qy4 s VAL 182 N 1.56 0.75 0.37 2.92 -7.23 -0.22 -4.94 120.40 113.60 1qy4 s VAL 182 Ca 0.05 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.93 1qy4 s VAL 182 Cb -0.16 -2.53 -0.11 0.00 0.56 0.00 0.00 36.38 34.13 1qy4 s VAL 182 CO 0.03 -0.13 1.47 0.47 -0.31 0.00 0.00 175.10 176.64 1qy4 n ASP 183 N -0.45 3.68 -4.66 4.85 8.00 -1.26 -0.55 116.55 126.17 1qy4 n ASP 183 Ca -0.02 1.22 -0.43 0.00 0.71 0.00 0.00 54.79 56.27 1qy4 n ASP 183 Cb 0.65 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.13 1qy4 n ASP 183 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qy4 s ASN 184 N -0.10 7.04 0.48 -2.24 3.84 -0.61 -4.58 114.94 118.78 1qy4 s ASN 184 Ca 0.54 1.30 0.25 0.00 0.21 0.00 0.00 52.86 55.16 1qy4 s ASN 184 Cb -0.49 -2.52 1.21 0.00 -0.55 0.00 0.00 41.25 38.91 1qy4 s ASN 184 CO 0.62 -0.65 1.97 1.55 -2.79 0.00 0.00 177.10 177.80 1qy4 h PRO 185 N 7.53 0.00 0.00 0.43 0.13 -1.92 -2.68 132.00 135.48 1qy4 h PRO 185 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1qy4 h PRO 185 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qy4 h PRO 185 CO 0.96 0.18 0.00 0.54 -0.23 0.00 0.00 178.00 179.45 1qy4 n ARG 186 N -3.61 0.06 0.00 0.86 1.74 -1.26 -5.25 116.66 109.20 1qy4 n ARG 186 Ca -0.01 0.26 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 1qy4 n ARG 186 Cb 0.31 -1.60 0.47 0.00 -1.02 0.00 0.00 32.46 30.63 1qy4 n ARG 186 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98