#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 3.45 0.50 1.12 1.51 -1.26 -5.07 117.35 117.60 1qy4 s TYR 2 Ca 0.00 1.10 -0.18 0.00 -1.01 0.00 0.00 57.07 56.98 1qy4 s TYR 2 Cb 0.00 -2.48 -0.08 0.00 -0.11 0.00 0.00 41.96 39.28 1qy4 s TYR 2 CO 0.00 -0.09 1.00 0.15 -1.11 0.00 0.00 175.55 175.49 1qy4 s LYS 3 N -3.72 3.91 -0.09 -0.62 1.02 -1.26 -5.02 119.74 113.96 1qy4 s LYS 3 Ca 0.52 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 1qy4 s LYS 3 Cb -0.10 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1qy4 s LYS 3 CO 0.29 -0.31 1.18 -1.21 -0.92 0.00 0.00 175.35 174.37 1qy4 s GLU 4 N -3.67 4.33 0.61 1.68 2.02 -1.26 -5.02 118.70 117.39 1qy4 s GLU 4 Ca 0.62 1.62 -0.18 0.00 0.02 0.00 0.00 54.97 57.04 1qy4 s GLU 4 Cb -0.12 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1qy4 s GLU 4 CO 0.25 -0.49 1.22 -2.14 0.02 0.00 0.00 175.26 174.12 1qy4 s PRO 5 N 2.48 2.88 0.12 0.39 0.02 -1.26 -5.03 135.00 134.59 1qy4 s PRO 5 Ca 0.54 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 63.25 1qy4 s PRO 5 Cb -0.23 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.41 1qy4 s PRO 5 CO 0.19 -1.28 0.38 -0.59 -0.33 0.00 0.00 177.00 175.37 1qy4 s PHE 6 N -1.59 -0.18 0.05 6.54 -0.71 -1.26 -5.16 117.98 115.68 1qy4 s PHE 6 Ca 0.78 -0.13 0.08 0.00 -1.04 0.00 0.00 56.93 56.62 1qy4 s PHE 6 Cb -0.31 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.69 1qy4 s PHE 6 CO 0.34 -0.68 -0.22 0.20 -1.34 0.00 0.00 175.22 173.53 1qy4 s GLY 7 N -2.75 1.51 0.07 1.99 0.00 -1.26 -5.14 107.32 101.74 1qy4 s GLY 7 Ca 0.02 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1qy4 s GLY 7 CO -0.11 -1.16 -0.11 -1.34 0.00 0.00 0.00 173.10 170.39 1qy4 s VAL 8 N -0.90 0.85 -0.13 1.40 -7.23 -1.26 -5.13 120.40 108.00 1qy4 s VAL 8 Ca 0.14 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 1qy4 s VAL 8 Cb -0.10 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1qy4 s VAL 8 CO 0.04 -0.40 0.47 -0.75 -0.31 0.00 0.00 175.10 174.16 1qy4 s LYS 9 N -2.06 4.32 -0.19 4.82 2.20 -1.26 -5.03 119.74 122.54 1qy4 s LYS 9 Ca -0.02 0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.98 1qy4 s LYS 9 Cb -0.07 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1qy4 s LYS 9 CO 0.01 0.13 -0.02 0.08 -0.36 0.00 0.00 175.35 175.18 1qy4 s VAL 10 N 0.73 3.82 -0.43 4.02 1.01 -1.26 -2.90 120.40 125.40 1qy4 s VAL 10 Ca 0.25 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 1qy4 s VAL 10 Cb -0.15 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1qy4 s VAL 10 CO 0.10 0.45 0.79 -0.62 0.00 0.00 0.00 175.10 175.82 1qy4 s ASP 11 N 0.84 6.45 0.44 3.32 -1.08 -0.79 -4.94 116.67 120.89 1qy4 s ASP 11 Ca -0.00 0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.34 1qy4 s ASP 11 Cb -0.14 -2.39 1.39 0.00 -1.46 0.00 0.00 42.92 40.32 1qy4 s ASP 11 CO 0.02 -0.87 1.91 -0.26 0.52 0.00 0.00 175.17 176.48 1qy4 h PHE 12 N 8.86 0.00 0.00 -5.34 -1.00 -1.94 0.39 116.94 117.91 1qy4 h PHE 12 Ca -0.25 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.31 1qy4 h PHE 12 Cb 1.09 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 1qy4 h PHE 12 CO 0.80 0.00 -1.58 0.39 -1.61 0.00 0.00 178.31 176.31 1qy4 n GLU 13 N -2.67 0.63 -0.00 1.51 -0.58 -1.26 -4.46 120.64 113.81 1qy4 n GLU 13 Ca 0.00 0.24 0.02 0.00 -0.42 0.00 0.00 57.16 57.00 1qy4 n GLU 13 Cb 0.20 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.94 0.00 -0.50 2.62 -2.24 -1.10 -5.00 114.28 105.12 1qy4 n THR 14 Ca -0.14 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1qy4 n THR 14 Cb 0.94 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 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 1.10 0.88 3.73 3.38 0.00 0.14 -4.94 105.19 109.48 1qy4 n GLY 15 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.39 3.41 -0.22 -0.61 1.01 -1.24 -4.74 121.20 116.42 1qy4 s ILE 16 Ca 0.00 1.11 -0.08 0.00 0.00 0.00 0.00 60.65 61.68 1qy4 s ILE 16 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1qy4 s ILE 16 CO 0.00 0.14 0.08 -0.63 0.00 0.00 0.00 174.94 174.53 1qy4 s ILE 17 N 0.43 4.70 -0.23 2.92 1.01 -1.26 -1.89 121.20 126.88 1qy4 s ILE 17 Ca 0.58 -0.05 -0.34 0.00 0.00 0.00 0.00 60.65 60.84 1qy4 s ILE 17 Cb -0.35 -3.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1qy4 s ILE 17 CO 0.35 0.39 2.05 -0.62 0.00 0.00 0.00 174.94 177.11 1qy4 n GLU 18 N 4.19 1.63 -1.07 2.79 1.02 -1.14 -2.11 120.64 125.94 1qy4 n GLU 18 Ca -0.16 0.53 -0.02 0.00 -0.02 0.00 0.00 57.16 57.48 1qy4 n GLU 18 Cb 0.52 -2.63 -0.01 0.00 -0.02 0.00 0.00 31.44 29.30 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 5.45 0.56 3.87 0.62 0.00 -1.26 -4.80 105.19 109.64 1qy4 n GLY 19 Ca 0.31 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.95 2.89 -0.08 4.61 0.00 -0.90 -5.00 121.76 121.34 1qy4 s ALA 20 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 1qy4 s ALA 20 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1qy4 s ALA 20 CO 0.00 -1.07 1.35 0.21 0.00 0.00 0.00 175.76 176.24 1qy4 s LYS 21 N -5.29 4.27 -0.18 0.00 2.47 -0.63 -4.78 119.74 115.60 1qy4 s LYS 21 Ca 0.58 1.83 -0.09 0.00 -1.56 0.00 0.00 55.97 56.73 1qy4 s LYS 21 Cb -0.11 -3.69 -0.05 0.00 -1.46 0.00 0.00 37.83 32.52 1qy4 s LYS 21 CO 0.53 -0.63 0.13 0.21 0.16 0.00 0.00 175.35 175.74 1qy4 s LYS 22 N 2.97 3.98 -0.02 4.03 2.20 -1.26 0.05 119.74 131.69 1qy4 s LYS 22 Ca 0.60 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1qy4 s LYS 22 Cb -0.27 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1qy4 s LYS 22 CO 0.22 0.42 -0.21 -1.12 -0.36 0.00 0.00 175.35 174.30 1qy4 s SER 23 N 0.01 2.45 -0.12 1.43 0.01 0.64 -4.96 113.70 113.16 1qy4 s SER 23 Ca 0.09 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.00 1qy4 s SER 23 Cb -0.11 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.76 1qy4 s SER 23 CO -0.00 0.24 -0.23 -0.69 0.41 0.00 0.00 173.24 172.97 1qy4 s VAL 24 N -0.38 2.02 -0.30 3.43 1.01 -1.26 -0.45 120.40 124.46 1qy4 s VAL 24 Ca 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1qy4 s VAL 24 Cb -0.09 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1qy4 s VAL 24 CO 0.00 0.55 0.06 -0.13 0.00 0.00 0.00 175.10 175.57 1qy4 s ARG 25 N 0.57 2.79 0.54 2.72 1.81 0.61 -5.01 118.95 122.97 1qy4 s ARG 25 Ca -0.13 -1.05 -0.02 0.00 -1.72 0.00 0.00 55.73 52.81 1qy4 s ARG 25 Cb -0.17 -3.32 0.01 0.00 -0.45 0.00 0.00 34.95 31.03 1qy4 s ARG 25 CO 0.04 -0.54 0.79 1.03 -0.68 0.00 0.00 175.30 175.94 1qy4 s ARG 26 N 1.40 2.83 0.45 3.54 0.52 -1.26 0.96 118.95 127.39 1qy4 s ARG 26 Ca -0.00 -0.39 0.12 0.00 -0.52 0.00 0.00 55.73 54.94 1qy4 s ARG 26 Cb -0.18 -2.42 1.02 0.00 0.52 0.00 0.00 34.95 33.89 1qy4 s ARG 26 CO 0.01 -0.58 2.05 1.25 0.02 0.00 0.00 175.30 178.05 1qy4 h LEU 27 N 0.07 0.32 -2.22 2.53 5.85 -1.16 -1.05 115.31 119.64 1qy4 h LEU 27 Ca -0.45 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1qy4 h LEU 27 Cb 1.27 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1qy4 h LEU 27 CO 0.57 0.22 -0.04 0.77 -0.34 0.00 0.00 178.44 179.62 1qy4 h SER 28 N 0.37 0.00 -0.01 1.25 4.64 -1.88 0.31 113.55 118.24 1qy4 h SER 28 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1qy4 h SER 28 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1qy4 h SER 28 CO -0.04 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 1qy4 n ASP 29 N -3.34 0.18 -2.35 4.97 8.00 -0.40 -4.07 116.55 119.54 1qy4 n ASP 29 Ca -0.02 -1.21 -0.19 0.00 0.71 0.00 0.00 54.79 54.08 1qy4 n ASP 29 Cb 0.18 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.78 3.00 -2.17 -1.24 2.81 0.10 -4.99 117.12 113.84 1qy4 n MET 30 Ca 0.20 -4.07 -0.41 0.00 -1.81 0.00 0.00 57.70 51.61 1qy4 n MET 30 Cb 0.12 -2.05 -0.03 0.00 -0.71 0.00 0.00 33.22 30.55 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 -3.56 4.37 0.00 0.03 2.12 -1.26 -3.01 118.70 117.39 1qy4 s GLU 31 Ca 0.44 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1qy4 s GLU 31 Cb 0.40 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.63 1qy4 s GLU 31 CO -0.04 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 1qy4 n GLY 32 N 1.97 0.82 0.12 -1.50 0.00 -1.26 -4.92 105.19 100.42 1qy4 n GLY 32 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 0.75 -3.67 1.61 4.02 -1.16 -4.90 117.16 111.80 1qy4 n TYR 33 Ca 0.00 0.19 -0.36 0.00 -0.01 0.00 0.00 57.90 57.71 1qy4 n TYR 33 Cb 0.00 -1.11 -0.06 0.00 -0.02 0.00 0.00 39.34 38.15 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 -2.55 3.64 0.24 -0.72 0.40 -1.26 -5.00 117.98 112.73 1qy4 s PHE 34 Ca -0.20 0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 56.82 1qy4 s PHE 34 Cb 0.07 -2.11 0.35 0.00 0.51 0.00 0.00 43.02 41.84 1qy4 s PHE 34 CO 0.75 0.64 1.82 0.28 0.70 0.00 0.00 175.22 179.41 1qy4 h VAL 35 N 3.50 0.95 -2.68 -0.44 2.07 -1.91 -3.33 116.25 114.40 1qy4 h VAL 35 Ca -0.52 -0.28 -0.73 0.00 0.82 0.00 0.00 66.70 65.99 1qy4 h VAL 35 Cb 1.21 0.07 -0.20 0.00 -1.52 0.00 0.00 31.29 30.86 1qy4 h VAL 35 CO 0.62 0.15 0.82 -0.62 0.02 0.00 0.00 177.57 178.56 1qy4 s ASP 36 N -5.64 6.84 0.55 0.57 -1.08 -1.26 -4.84 116.67 111.80 1qy4 s ASP 36 Ca -0.13 -2.57 0.22 0.00 -0.52 0.00 0.00 52.55 49.56 1qy4 s ASP 36 Cb 0.18 -2.35 1.47 0.00 -1.46 0.00 0.00 42.92 40.76 1qy4 s ASP 36 CO 0.78 -0.82 2.13 -0.08 0.52 0.00 0.00 175.17 177.70 1qy4 h GLU 37 N 7.98 0.00 0.10 4.34 4.22 -1.99 -0.48 114.58 128.76 1qy4 h GLU 37 Ca 0.20 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.46 1qy4 h GLU 37 Cb 0.97 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1qy4 h GLU 37 CO 1.08 0.00 -0.75 0.00 -2.18 0.00 0.00 179.01 177.15 1qy4 h ARG 38 N 0.00 0.33 -0.63 1.92 3.08 -1.94 -0.73 114.38 116.42 1qy4 h ARG 38 Ca 0.06 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 1qy4 h ARG 38 Cb 0.26 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1qy4 h ARG 38 CO -0.00 1.20 0.31 0.00 -1.07 0.00 0.00 179.97 180.41 1qy4 h ALA 39 N 0.15 1.37 0.37 0.04 0.00 -1.80 -0.48 119.26 118.91 1qy4 h ALA 39 Ca -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1qy4 h ALA 39 Cb 1.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1qy4 h ALA 39 CO 0.14 0.50 -0.23 2.35 0.00 0.00 0.00 179.25 182.01 1qy4 h TRP 40 N 0.88 -0.61 -0.70 0.00 7.01 -1.05 -1.26 115.95 120.22 1qy4 h TRP 40 Ca 0.22 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.32 1qy4 h TRP 40 Cb 0.08 0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 27.28 1qy4 h TRP 40 CO 0.01 -0.36 0.30 -0.22 -2.79 0.00 0.00 178.44 175.38 1qy4 h LYS 41 N -0.58 0.48 -0.10 2.65 3.64 -0.78 -1.93 116.57 119.96 1qy4 h LYS 41 Ca -0.04 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 1qy4 h LYS 41 Cb 0.48 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1qy4 h LYS 41 CO 0.03 0.32 -0.72 1.49 -2.27 0.00 0.00 179.45 178.30 1qy4 h GLU 42 N 0.50 0.48 -0.05 1.90 4.81 -0.77 -2.71 114.58 118.74 1qy4 h GLU 42 Ca 0.36 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1qy4 h GLU 42 Cb 0.46 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1qy4 h GLU 42 CO -0.32 1.01 -0.51 1.25 -0.73 0.00 0.00 179.01 179.70 1qy4 h LEU 43 N 0.33 0.13 -0.41 1.64 5.85 -0.94 -2.14 115.31 119.78 1qy4 h LEU 43 Ca -0.03 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1qy4 h LEU 43 Cb 1.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1qy4 h LEU 43 CO 0.13 0.62 -0.01 0.58 -0.34 0.00 0.00 178.44 179.42 1qy4 h VAL 44 N 0.10 1.26 -0.37 1.05 2.07 -1.19 -1.95 116.25 117.22 1qy4 h VAL 44 Ca 0.00 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1qy4 h VAL 44 Cb 0.94 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1qy4 h VAL 44 CO 0.07 0.35 0.01 -0.33 0.02 0.00 0.00 177.57 177.69 1qy4 h GLU 45 N 0.57 0.64 0.00 1.57 4.39 -1.34 -1.43 114.58 118.98 1qy4 h GLU 45 Ca 0.12 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1qy4 h GLU 45 Cb 0.50 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1qy4 h GLU 45 CO 0.02 0.75 -0.42 -0.22 -1.16 0.00 0.00 179.01 177.98 1qy4 h LYS 46 N 0.46 0.00 0.00 2.33 3.64 -1.42 -3.43 116.57 118.15 1qy4 h LYS 46 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1qy4 h LYS 46 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1qy4 h LYS 46 CO 0.02 0.42 0.00 -1.91 -2.27 0.00 0.00 179.45 175.70 1qy4 n GLU 47 N -3.88 0.00 -3.93 1.90 2.13 -0.89 -5.07 120.64 110.91 1qy4 n GLU 47 Ca -0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.51 1qy4 n GLU 47 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1qy4 n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1qy4 n ASP 48 N -0.18 -2.17 -4.71 4.31 2.03 -0.55 -4.85 116.55 110.44 1qy4 n ASP 48 Ca 0.00 -0.87 -0.34 0.00 0.52 0.00 0.00 54.79 54.10 1qy4 n ASP 48 Cb 0.00 -1.04 0.11 0.00 -0.72 0.00 0.00 41.12 39.46 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 -6.54 1.96 0.05 -0.67 0.04 -1.26 -4.44 135.00 124.13 1qy4 s PRO 49 Ca 0.28 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 1qy4 s PRO 49 Cb -0.16 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1qy4 s PRO 49 CO 0.65 -1.98 1.38 0.08 0.04 0.00 0.00 177.00 177.17 1qy4 s VAL 50 N -1.99 3.57 -0.16 -0.36 1.01 -1.26 -0.76 120.40 120.45 1qy4 s VAL 50 Ca 0.75 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 1qy4 s VAL 50 Cb -0.30 -3.68 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 1qy4 s VAL 50 CO 0.47 0.04 0.39 0.58 0.00 0.00 0.00 175.10 176.58 1qy4 h VAL 51 N 4.62 1.02 -3.24 2.92 2.07 0.32 -3.43 116.25 120.52 1qy4 h VAL 51 Ca -0.40 -2.28 -0.05 0.00 0.82 0.00 0.00 66.70 64.80 1qy4 h VAL 51 Cb 1.19 2.52 -0.13 0.00 -1.52 0.00 0.00 31.29 33.36 1qy4 h VAL 51 CO 0.88 0.52 0.00 -0.72 0.02 0.00 0.00 177.57 178.27 1qy4 s TYR 52 N -2.40 -0.30 0.02 1.57 -0.85 -1.06 0.12 117.35 114.45 1qy4 s TYR 52 Ca -0.25 0.05 0.06 0.00 -0.52 0.00 0.00 57.07 56.41 1qy4 s TYR 52 Cb 0.04 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 1qy4 s TYR 52 CO 0.67 -0.73 -0.17 -1.21 -1.52 0.00 0.00 175.55 172.60 1qy4 s GLU 53 N -3.64 1.21 -0.07 -3.49 2.02 -0.64 -0.28 118.70 113.81 1qy4 s GLU 53 Ca 0.02 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.31 1qy4 s GLU 53 Cb 0.01 -1.23 -0.00 0.00 0.10 0.00 0.00 34.13 33.01 1qy4 s GLU 53 CO -0.11 0.32 -0.22 0.08 0.02 0.00 0.00 175.26 175.35 1qy4 s VAL 54 N -0.65 1.83 -0.35 2.63 1.01 0.40 -0.24 120.40 125.03 1qy4 s VAL 54 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1qy4 s VAL 54 Cb -0.07 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.79 1qy4 s VAL 54 CO 0.01 0.51 0.10 -0.31 0.00 0.00 0.00 175.10 175.41 1qy4 s TYR 55 N 0.14 3.34 -0.05 5.22 1.51 0.35 -0.26 117.35 127.60 1qy4 s TYR 55 Ca -0.10 -1.81 0.03 0.00 -1.01 0.00 0.00 57.07 54.17 1qy4 s TYR 55 Cb -0.15 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1qy4 s TYR 55 CO 0.05 -0.82 -0.11 0.00 -1.11 0.00 0.00 175.55 173.56 1qy4 s ALA 56 N 1.29 2.82 -0.33 3.71 0.00 0.11 -1.28 121.76 128.07 1qy4 s ALA 56 Ca -0.00 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1qy4 s ALA 56 Cb -0.21 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 21.94 1qy4 s ALA 56 CO -0.00 0.57 0.05 0.08 0.00 0.00 0.00 175.76 176.46 1qy4 s VAL 57 N -0.80 2.10 0.12 0.00 1.01 0.37 -1.61 120.40 121.60 1qy4 s VAL 57 Ca 0.13 -2.22 0.08 0.00 0.00 0.00 0.00 61.98 59.97 1qy4 s VAL 57 Cb -0.11 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1qy4 s VAL 57 CO 0.02 -0.60 -0.15 -1.61 0.00 0.00 0.00 175.10 172.76 1qy4 s GLU 58 N 0.99 1.91 0.48 2.72 2.02 -1.26 -1.99 118.70 123.57 1qy4 s GLU 58 Ca 0.10 -1.14 0.06 0.00 0.02 0.00 0.00 54.97 54.01 1qy4 s GLU 58 Cb -0.19 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 1qy4 s GLU 58 CO -0.10 0.48 0.30 -0.65 0.02 0.00 0.00 175.26 175.31 1qy4 s GLN 59 N -2.24 2.29 0.74 1.61 -1.52 -1.26 -5.05 119.66 114.23 1qy4 s GLN 59 Ca 0.20 -1.91 -0.14 0.00 -1.95 0.00 0.00 55.36 51.56 1qy4 s GLN 59 Cb -0.11 -2.06 0.04 0.00 -0.22 0.00 0.00 33.01 30.66 1qy4 s GLN 59 CO 0.12 -0.37 1.15 -1.21 -0.25 0.00 0.00 175.29 174.73 1qy4 s GLU 60 N -4.11 2.23 -1.22 2.91 2.02 -1.26 -4.86 118.70 114.42 1qy4 s GLU 60 Ca 0.36 1.51 -0.19 0.00 0.02 0.00 0.00 54.97 56.67 1qy4 s GLU 60 Cb -0.00 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1qy4 s GLU 60 CO 0.21 -1.71 1.93 0.39 0.02 0.00 0.00 175.26 176.10 1qy4 n GLU 61 N -2.95 2.43 -4.28 1.61 1.02 -1.26 -4.73 120.64 112.48 1qy4 n GLU 61 Ca 0.11 -2.67 -0.28 0.00 -0.02 0.00 0.00 57.16 54.30 1qy4 n GLU 61 Cb 0.52 -3.40 -0.10 0.00 -0.02 0.00 0.00 31.44 28.43 1qy4 n GLU 61 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qy4 s LYS 62 N 4.66 1.98 0.35 3.49 1.02 -1.26 -4.74 119.74 125.23 1qy4 s LYS 62 Ca 0.56 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1qy4 s LYS 62 Cb 0.07 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 35.11 1qy4 s LYS 62 CO 0.06 0.46 1.46 -1.21 -0.92 0.00 0.00 175.35 175.20 1qy4 s GLU 63 N -2.51 4.18 0.00 1.68 2.02 -1.26 -2.96 118.70 119.85 1qy4 s GLU 63 Ca 0.22 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.69 1qy4 s GLU 63 Cb -0.10 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1qy4 s GLU 63 CO 0.13 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1qy4 n GLY 64 N 0.85 2.46 3.97 -1.39 0.00 -1.26 -5.03 105.19 104.80 1qy4 n GLY 64 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.72 4.74 -0.00 1.61 -1.08 -1.15 -4.97 116.67 112.09 1qy4 s ASP 65 Ca 0.00 -0.08 -0.02 0.00 -0.52 0.00 0.00 52.55 51.93 1qy4 s ASP 65 Cb 0.00 -0.52 -0.00 0.00 -1.46 0.00 0.00 42.92 40.93 1qy4 s ASP 65 CO 0.00 -1.57 0.03 -0.76 0.52 0.00 0.00 175.17 173.39 1qy4 s LEU 66 N -5.03 1.94 0.28 -1.34 1.43 -1.26 -1.63 118.68 113.07 1qy4 s LEU 66 Ca 0.62 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.67 1qy4 s LEU 66 Cb -0.08 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 1qy4 s LEU 66 CO 0.42 -0.14 0.10 0.20 0.23 0.00 0.00 176.35 177.16 1qy4 s ASN 67 N -0.59 4.87 -0.05 2.29 0.01 -0.36 -4.52 114.94 116.58 1qy4 s ASN 67 Ca -0.07 -0.57 -0.17 0.00 -0.71 0.00 0.00 52.86 51.35 1qy4 s ASN 67 Cb -0.04 -0.97 0.03 0.00 0.41 0.00 0.00 41.25 40.69 1qy4 s ASN 67 CO -0.00 -0.10 0.39 0.72 -1.51 0.00 0.00 177.10 176.59 1qy4 s PHE 68 N -2.30 -0.31 -0.17 2.20 -0.12 -0.84 -1.16 117.98 115.28 1qy4 s PHE 68 Ca 0.34 0.57 -0.15 0.00 -0.05 0.00 0.00 56.93 57.64 1qy4 s PHE 68 Cb -0.06 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.53 1qy4 s PHE 68 CO 0.22 -0.38 0.46 0.00 -0.05 0.00 0.00 175.22 175.46 1qy4 s ALA 69 N -0.97 -1.13 0.25 1.99 0.00 -0.02 -0.47 121.76 121.40 1qy4 s ALA 69 Ca -0.10 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1qy4 s ALA 69 Cb -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1qy4 s ALA 69 CO 0.04 -0.22 0.49 0.95 0.00 0.00 0.00 175.76 177.02 1qy4 s THR 70 N 0.35 5.08 -0.03 0.00 -4.23 -0.41 0.88 115.64 117.28 1qy4 s THR 70 Ca -0.01 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1qy4 s THR 70 Cb -0.04 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1qy4 s THR 70 CO -0.01 -0.23 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.81 1qy4 s THR 71 N -1.97 1.18 -0.39 3.99 2.01 -0.69 -0.49 115.64 119.28 1qy4 s THR 71 Ca 0.42 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1qy4 s THR 71 Cb -0.11 -1.02 0.09 0.00 0.01 0.00 0.00 72.50 71.47 1qy4 s THR 71 CO 0.29 0.35 0.17 -0.69 -0.69 0.00 0.00 174.62 174.04 1qy4 s VAL 72 N 0.00 3.40 -0.39 3.82 1.01 0.66 -1.83 120.40 127.07 1qy4 s VAL 72 Ca -0.02 -1.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.03 1qy4 s VAL 72 Cb -0.09 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1qy4 s VAL 72 CO 0.01 -0.52 0.36 -0.22 0.00 0.00 0.00 175.10 174.73 1qy4 s LEU 73 N 1.22 4.84 0.58 3.92 0.20 0.50 -1.61 118.68 128.32 1qy4 s LEU 73 Ca 0.04 -0.65 -0.17 0.00 0.69 0.00 0.00 54.13 54.04 1qy4 s LEU 73 Cb -0.22 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.22 1qy4 s LEU 73 CO -0.02 -0.46 1.09 -0.31 -0.29 0.00 0.00 176.35 176.36 1qy4 s TYR 74 N 1.91 2.78 0.37 5.38 2.02 0.12 -1.34 117.35 128.58 1qy4 s TYR 74 Ca 0.09 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.07 1qy4 s TYR 74 Cb -0.18 -3.16 -0.09 0.00 -0.40 0.00 0.00 41.96 38.14 1qy4 s TYR 74 CO 0.12 -1.39 1.09 -1.25 -1.57 0.00 0.00 175.55 172.55 1qy4 s PRO 75 N -3.69 4.27 0.00 -1.71 0.04 -1.26 -4.77 135.00 127.89 1qy4 s PRO 75 Ca 0.68 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1qy4 s PRO 75 Cb -0.20 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1qy4 s PRO 75 CO 0.32 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1qy4 n GLY 76 N 0.66 0.60 3.02 0.56 0.00 -1.26 -4.99 105.19 103.78 1qy4 n GLY 76 Ca 0.03 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 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 0.43 -0.28 1.61 1.02 -1.26 -1.10 119.74 118.15 1qy4 s LYS 77 Ca 0.00 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.35 1qy4 s LYS 77 Cb 0.00 -0.13 0.07 0.00 -0.52 0.00 0.00 37.83 37.25 1qy4 s LYS 77 CO 0.00 0.01 -0.06 0.08 -0.92 0.00 0.00 175.35 174.46 1qy4 s VAL 78 N -1.34 2.33 0.00 3.17 1.01 0.28 -4.89 120.40 120.96 1qy4 s VAL 78 Ca -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.12 1qy4 s VAL 78 Cb -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1qy4 s VAL 78 CO -0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1qy4 n GLY 79 N 4.43 3.54 0.03 4.51 0.00 -1.26 -0.84 105.19 115.59 1qy4 n GLY 79 Ca -0.10 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 13.53 0.17 -2.59 1.61 5.02 -1.26 -4.94 118.16 129.70 1qy4 n LYS 80 Ca 0.00 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1qy4 n LYS 80 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1qy4 n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qy4 s GLU 81 N -3.11 4.43 0.47 1.97 2.12 -0.02 -1.74 118.70 122.82 1qy4 s GLU 81 Ca 0.07 1.53 -0.24 0.00 0.36 0.00 0.00 54.97 56.69 1qy4 s GLU 81 Cb 0.15 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 1qy4 s GLU 81 CO 0.76 -0.30 1.32 -0.06 -0.54 0.00 0.00 175.26 176.44 1qy4 s PHE 82 N 1.77 2.58 0.32 5.30 0.40 -0.95 1.00 117.98 128.40 1qy4 s PHE 82 Ca 0.53 1.39 -0.27 0.00 -0.60 0.00 0.00 56.93 57.97 1qy4 s PHE 82 Cb -0.22 -3.71 -0.13 0.00 0.51 0.00 0.00 43.02 39.47 1qy4 s PHE 82 CO 0.22 -2.42 1.06 1.19 0.70 0.00 0.00 175.22 175.97 1qy4 n PHE 83 N -0.44 1.45 -3.96 0.36 3.01 -0.26 -4.79 117.46 112.82 1qy4 n PHE 83 Ca 0.07 0.65 -0.09 0.00 1.01 0.00 0.00 57.45 59.09 1qy4 n PHE 83 Cb 0.44 -2.28 -0.04 0.00 -0.01 0.00 0.00 39.48 37.60 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 -1.11 0.27 0.42 1.38 -0.12 -1.26 -1.13 117.98 116.43 1qy4 s PHE 84 Ca 0.59 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.70 1qy4 s PHE 84 Cb -0.65 0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 42.01 1qy4 s PHE 84 CO 0.60 -1.09 0.79 0.95 -0.05 0.00 0.00 175.22 176.42 1qy4 s THR 85 N -3.84 4.78 0.25 -4.49 -4.23 -0.65 -4.93 115.64 102.53 1qy4 s THR 85 Ca 0.20 0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1qy4 s THR 85 Cb -0.02 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.33 1qy4 s THR 85 CO 0.09 -0.57 1.68 0.11 -0.54 0.00 0.00 174.62 175.39 1qy4 h LYS 86 N 1.12 0.25 0.00 3.99 1.57 -1.95 -3.42 116.57 118.14 1qy4 h LYS 86 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1qy4 h LYS 86 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1qy4 h LYS 86 CO 0.63 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.09 1qy4 n GLY 87 N -1.36 0.06 3.46 3.86 0.00 -1.26 -4.91 105.19 105.04 1qy4 n GLY 87 Ca 0.16 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.87 -0.49 0.55 1.61 -3.43 -1.00 -4.72 115.29 104.94 1qy4 s HIS 88 Ca 0.00 0.37 0.02 0.00 -0.80 0.00 0.00 55.06 54.64 1qy4 s HIS 88 Cb 0.00 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 31.72 1qy4 s HIS 88 CO 0.00 -0.73 0.77 -0.06 -2.00 0.00 0.00 174.74 172.72 1qy4 s PHE 89 N -3.29 2.80 0.16 0.38 0.08 -0.76 -1.61 117.98 115.74 1qy4 s PHE 89 Ca 0.01 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.92 1qy4 s PHE 89 Cb -0.01 -2.74 -0.06 0.00 -0.57 0.00 0.00 43.02 39.64 1qy4 s PHE 89 CO -0.10 -0.88 0.47 -1.01 -0.10 0.00 0.00 175.22 173.61 1qy4 s HIS 90 N -2.75 3.50 0.12 0.36 3.76 -1.26 -0.55 115.29 118.46 1qy4 s HIS 90 Ca 0.58 0.80 -0.20 0.00 -0.15 0.00 0.00 55.06 56.08 1qy4 s HIS 90 Cb -0.10 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.35 1qy4 s HIS 90 CO 0.38 0.39 1.72 0.00 -0.85 0.00 0.00 174.74 176.38 1qy4 h ALA 91 N 3.02 0.14 -1.80 -1.40 0.00 -1.16 -3.13 119.26 114.92 1qy4 h ALA 91 Ca -0.47 0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.82 1qy4 h ALA 91 Cb 1.18 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1qy4 h ALA 91 CO 0.69 -0.45 0.57 0.15 0.00 0.00 0.00 179.25 180.21 1qy4 s LYS 92 N -6.19 3.28 0.33 0.00 1.02 -0.57 -4.92 119.74 112.69 1qy4 s LYS 92 Ca -0.13 -1.26 0.13 0.00 0.02 0.00 0.00 55.97 54.72 1qy4 s LYS 92 Cb 0.09 -4.48 1.02 0.00 -0.52 0.00 0.00 37.83 33.94 1qy4 s LYS 92 CO 0.68 -1.75 1.67 -0.07 -0.92 0.00 0.00 175.35 174.96 1qy4 h LEU 93 N 10.76 0.47 -0.94 3.17 3.38 -1.85 -2.38 115.31 127.92 1qy4 h LEU 93 Ca -0.13 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qy4 h LEU 93 Cb 1.06 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1qy4 h LEU 93 CO 1.14 -0.12 0.00 -0.90 0.09 0.00 0.00 178.44 178.65 1qy4 n ASP 94 N -5.06 1.34 -4.72 -0.43 3.85 -1.26 -0.99 116.55 109.28 1qy4 n ASP 94 Ca 0.30 -2.05 -0.41 0.00 -0.71 0.00 0.00 54.79 51.92 1qy4 n ASP 94 Cb 0.93 -0.22 -0.04 0.00 -1.35 0.00 0.00 41.12 40.44 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 -1.68 4.62 0.71 0.11 3.00 -0.90 -4.37 118.95 120.45 1qy4 s ARG 95 Ca 0.14 1.48 -0.03 0.00 0.00 0.00 0.00 55.73 57.32 1qy4 s ARG 95 Cb 0.08 -3.40 0.11 0.00 0.00 0.00 0.00 34.95 31.74 1qy4 s ARG 95 CO 0.08 0.08 0.99 0.00 0.00 0.00 0.00 175.30 176.46 1qy4 s ALA 96 N 0.41 3.49 0.06 2.13 0.00 -1.26 -4.15 121.76 122.44 1qy4 s ALA 96 Ca 0.50 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1qy4 s ALA 96 Cb -0.23 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.70 1qy4 s ALA 96 CO 0.30 -1.41 0.29 -1.21 0.00 0.00 0.00 175.76 173.73 1qy4 s GLU 97 N -5.17 0.85 -0.05 0.00 2.02 -0.36 -4.17 118.70 111.82 1qy4 s GLU 97 Ca 0.64 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 55.05 1qy4 s GLU 97 Cb -0.07 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1qy4 s GLU 97 CO 0.44 -0.28 -0.16 0.08 0.02 0.00 0.00 175.26 175.36 1qy4 s VAL 98 N -2.96 1.37 0.07 2.63 1.01 -0.72 -1.00 120.40 120.79 1qy4 s VAL 98 Ca -0.02 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1qy4 s VAL 98 Cb 0.01 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1qy4 s VAL 98 CO -0.06 0.40 -0.26 -0.31 0.00 0.00 0.00 175.10 174.86 1qy4 s TYR 99 N 0.20 2.30 -0.15 5.22 1.51 -0.90 -0.22 117.35 125.31 1qy4 s TYR 99 Ca -0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1qy4 s TYR 99 Cb -0.13 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1qy4 s TYR 99 CO 0.03 0.20 -0.03 0.08 -1.11 0.00 0.00 175.55 174.72 1qy4 s VAL 100 N -0.89 0.87 0.15 0.71 1.01 0.93 -1.99 120.40 121.19 1qy4 s VAL 100 Ca 0.12 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1qy4 s VAL 100 Cb -0.10 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1qy4 s VAL 100 CO 0.03 0.10 1.16 0.00 0.00 0.00 0.00 175.10 176.40 1qy4 s ALA 101 N 1.74 3.40 -0.11 5.51 0.00 0.46 -0.77 121.76 131.99 1qy4 s ALA 101 Ca 0.01 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1qy4 s ALA 101 Cb -0.15 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1qy4 s ALA 101 CO -0.07 -0.32 -0.08 1.28 0.00 0.00 0.00 175.76 176.56 1qy4 n LEU 102 N 2.80 2.54 -3.58 0.00 4.77 0.22 -0.12 117.00 123.62 1qy4 n LEU 102 Ca 0.05 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 1qy4 n LEU 102 Cb 0.46 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1qy4 n LEU 102 CO 0.55 0.63 0.30 -0.75 -1.33 0.00 0.00 177.39 176.79 1qy4 s LYS 103 N -2.24 0.99 0.52 3.23 2.20 -0.81 -4.70 119.74 118.93 1qy4 s LYS 103 Ca -0.14 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1qy4 s LYS 103 Cb 0.04 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1qy4 s LYS 103 CO 0.29 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1qy4 n GLY 104 N 0.75 -2.26 3.03 5.54 0.00 -1.24 -0.99 105.19 110.01 1qy4 n GLY 104 Ca -0.19 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1qy4 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy4 s LYS 105 N -0.40 2.06 0.00 1.61 1.02 -1.26 -4.02 119.74 118.75 1qy4 s LYS 105 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1qy4 s LYS 105 Cb 0.00 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1qy4 s LYS 105 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1qy4 n GLY 106 N 4.33 3.04 3.82 -3.33 0.00 -1.00 -1.98 105.19 110.07 1qy4 n GLY 106 Ca -0.18 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.02 -0.22 -0.07 -0.02 0.00 -0.71 -1.32 107.32 104.95 1qy4 s GLY 107 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.04 1qy4 s GLY 107 CO 0.00 2.97 -0.23 -0.29 0.00 0.00 0.00 173.10 175.54 1qy4 s MET 108 N -2.22 2.69 -0.21 2.90 1.75 0.12 -1.12 119.30 123.22 1qy4 s MET 108 Ca 0.22 -0.87 -0.11 0.00 -1.25 0.00 0.00 55.69 53.68 1qy4 s MET 108 Cb 0.02 -2.23 -0.05 0.00 2.84 0.00 0.00 34.83 35.40 1qy4 s MET 108 CO -0.01 0.35 0.16 -1.17 -0.65 0.00 0.00 175.02 173.70 1qy4 s LEU 109 N -0.08 4.19 0.09 4.11 2.96 0.17 -1.05 118.68 129.06 1qy4 s LEU 109 Ca -0.06 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1qy4 s LEU 109 Cb -0.14 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1qy4 s LEU 109 CO 0.04 0.13 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.27 1qy4 s LEU 110 N 0.58 2.29 -0.02 -0.68 1.02 0.28 -0.40 118.68 121.75 1qy4 s LEU 110 Ca 0.09 -0.66 -0.16 0.00 0.02 0.00 0.00 54.13 53.42 1qy4 s LEU 110 Cb -0.12 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.39 1qy4 s LEU 110 CO 0.01 0.00 0.35 0.00 0.02 0.00 0.00 176.35 176.73 1qy4 s GLN 111 N -1.83 0.71 0.85 1.70 -2.07 -0.74 -0.74 119.66 117.53 1qy4 s GLN 111 Ca 0.03 -0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 53.31 1qy4 s GLN 111 Cb -0.10 0.32 0.12 0.00 -1.09 0.00 0.00 33.01 32.26 1qy4 s GLN 111 CO 0.03 -0.20 1.20 0.95 -1.32 0.00 0.00 175.29 175.96 1qy4 s THR 112 N -1.29 2.04 0.43 3.63 -4.23 -0.26 -1.35 115.64 114.61 1qy4 s THR 112 Ca -0.13 -0.06 0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1qy4 s THR 112 Cb -0.05 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 71.13 1qy4 s THR 112 CO 0.05 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.47 1qy4 h PRO 113 N -1.18 0.40 0.00 3.99 0.11 -1.92 -1.45 132.00 131.96 1qy4 h PRO 113 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qy4 h PRO 113 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qy4 h PRO 113 CO 0.54 0.27 0.00 0.39 -0.21 0.00 0.00 178.00 178.99 1qy4 n GLU 114 N -4.47 0.78 -0.35 1.05 4.71 -1.26 -4.88 120.64 116.22 1qy4 n GLU 114 Ca 0.09 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1qy4 n GLU 114 Cb 0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 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 0.90 0.75 3.74 0.62 0.00 -0.54 -5.04 105.19 105.61 1qy4 n GLY 115 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1qy4 n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qy4 s ASP 116 N -2.50 6.76 0.24 1.61 2.15 -1.26 -4.57 116.67 119.09 1qy4 s ASP 116 Ca 0.00 2.53 0.10 0.00 0.43 0.00 0.00 52.55 55.62 1qy4 s ASP 116 Cb 0.00 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 1qy4 s ASP 116 CO 0.00 -0.64 -0.12 0.00 -0.17 0.00 0.00 175.17 174.24 1qy4 s ALA 117 N 0.21 2.90 -0.08 3.66 0.00 -1.26 -1.10 121.76 126.09 1qy4 s ALA 117 Ca 0.59 -1.67 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 1qy4 s ALA 117 Cb -0.40 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1qy4 s ALA 117 CO 0.39 0.34 0.25 0.21 0.00 0.00 0.00 175.76 176.96 1qy4 s LYS 118 N -3.28 0.35 -0.14 0.00 2.47 0.08 -4.98 119.74 114.25 1qy4 s LYS 118 Ca 0.28 0.24 -0.01 0.00 -1.56 0.00 0.00 55.97 54.92 1qy4 s LYS 118 Cb -0.07 0.16 -0.02 0.00 -1.46 0.00 0.00 37.83 36.45 1qy4 s LYS 118 CO 0.16 -0.06 -0.11 -0.46 0.16 0.00 0.00 175.35 175.04 1qy4 s TRP 119 N -0.14 2.85 -0.18 4.03 -0.11 -1.26 -0.56 118.94 123.57 1qy4 s TRP 119 Ca -0.03 -0.61 0.00 0.00 1.22 0.00 0.00 56.10 56.69 1qy4 s TRP 119 Cb -0.03 -1.87 0.04 0.00 -1.50 0.00 0.00 33.47 30.11 1qy4 s TRP 119 CO 0.01 -0.20 -0.10 0.42 -4.62 0.00 0.00 176.95 172.46 1qy4 s ILE 120 N 0.39 1.49 0.54 5.86 1.01 -0.21 -4.98 121.20 125.30 1qy4 s ILE 120 Ca -0.09 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 1qy4 s ILE 120 Cb -0.16 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1qy4 s ILE 120 CO 0.05 0.21 1.21 -0.44 0.00 0.00 0.00 174.94 175.97 1qy4 s SER 121 N 1.48 5.55 -0.08 3.58 0.01 -1.26 0.14 113.70 123.12 1qy4 s SER 121 Ca 0.00 2.40 -0.01 0.00 1.31 0.00 0.00 55.95 59.65 1qy4 s SER 121 Cb -0.15 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.50 1qy4 s SER 121 CO -0.08 -1.35 -0.01 -0.04 0.41 0.00 0.00 173.24 172.17 1qy4 s MET 122 N -3.08 0.71 0.41 12.44 -1.94 -0.44 -4.82 119.30 122.58 1qy4 s MET 122 Ca 0.72 0.07 0.07 0.00 -1.71 0.00 0.00 55.69 54.84 1qy4 s MET 122 Cb -0.31 -1.03 -0.08 0.00 2.01 0.00 0.00 34.83 35.42 1qy4 s MET 122 CO 0.35 -0.29 0.01 -1.83 -0.01 0.00 0.00 175.02 173.24 1qy4 s GLU 123 N 1.92 1.95 -0.05 2.03 -1.05 -1.26 -2.38 118.70 119.86 1qy4 s GLU 123 Ca 0.05 -2.10 -0.36 0.00 -0.15 0.00 0.00 54.97 52.40 1qy4 s GLU 123 Cb -0.12 -1.62 -0.15 0.00 -0.44 0.00 0.00 34.13 31.80 1qy4 s GLU 123 CO -0.05 -0.05 1.65 -2.30 0.95 0.00 0.00 175.26 175.45 1qy4 n PRO 124 N -0.96 1.62 0.00 -4.83 -0.02 -1.26 -0.98 135.00 128.57 1qy4 n PRO 124 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1qy4 n PRO 124 Cb 0.67 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.68 0.42 3.69 -1.23 0.00 0.83 -4.95 105.19 107.62 1qy4 n GLY 125 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 3.55 -0.20 2.61 2.01 -0.15 -4.81 115.64 116.56 1qy4 s THR 126 Ca 0.00 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 1qy4 s THR 126 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1qy4 s THR 126 CO 0.00 0.01 0.01 -0.69 -0.69 0.00 0.00 174.62 173.26 1qy4 s VAL 127 N 2.30 4.08 -0.15 3.82 1.01 -1.26 -0.40 120.40 129.80 1qy4 s VAL 127 Ca 0.66 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 1qy4 s VAL 127 Cb -0.33 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1qy4 s VAL 127 CO 0.28 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 175.08 1qy4 s VAL 128 N 0.90 3.92 -0.37 2.92 1.01 -0.84 -4.96 120.40 122.98 1qy4 s VAL 128 Ca 0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 1qy4 s VAL 128 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1qy4 s VAL 128 CO 0.02 0.50 0.61 -0.47 0.00 0.00 0.00 175.10 175.76 1qy4 s TYR 129 N 0.25 3.15 -0.50 5.22 6.14 -1.26 -2.11 117.35 128.24 1qy4 s TYR 129 Ca -0.03 0.25 -0.19 0.00 0.64 0.00 0.00 57.07 57.75 1qy4 s TYR 129 Cb -0.14 -3.11 0.06 0.00 0.42 0.00 0.00 41.96 39.19 1qy4 s TYR 129 CO 0.03 -0.64 0.59 0.08 0.64 0.00 0.00 175.55 176.25 1qy4 s VAL 130 N 2.64 4.93 0.83 3.14 1.01 -0.17 -4.99 120.40 127.79 1qy4 s VAL 130 Ca 0.23 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1qy4 s VAL 130 Cb -0.15 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.05 1qy4 s VAL 130 CO 0.15 -0.77 1.10 -2.84 0.00 0.00 0.00 175.10 172.74 1qy4 s PRO 131 N 2.48 1.84 0.51 2.72 0.02 -1.26 -1.22 135.00 140.09 1qy4 s PRO 131 Ca 0.13 0.65 -0.21 0.00 0.02 0.00 0.00 61.00 61.60 1qy4 s PRO 131 Cb -0.20 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1qy4 s PRO 131 CO 0.11 -1.80 0.82 -2.30 -0.33 0.00 0.00 177.00 173.50 1qy4 n PRO 132 N -3.55 0.91 -0.14 5.54 -0.02 -1.26 -2.70 135.00 133.78 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 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -1.20 0.00 -3.49 6.00 4.01 -0.16 -4.95 117.16 117.36 1qy4 n TYR 133 Ca 0.11 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.47 1qy4 n TYR 133 Cb 0.44 -0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 39.25 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 -2.91 3.23 0.64 -0.72 0.52 -1.10 -4.07 118.94 114.54 1qy4 s TRP 134 Ca 0.00 0.22 -0.16 0.00 0.02 0.00 0.00 56.10 56.18 1qy4 s TRP 134 Cb 0.00 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.83 1qy4 s TRP 134 CO 0.00 -0.21 1.13 0.00 0.02 0.00 0.00 176.95 177.89 1qy4 s ALA 135 N 1.90 2.47 -0.17 0.98 0.00 -0.45 -4.83 121.76 121.65 1qy4 s ALA 135 Ca 0.11 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 1qy4 s ALA 135 Cb -0.16 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1qy4 s ALA 135 CO 0.11 -1.26 0.44 -3.38 0.00 0.00 0.00 175.76 171.67 1qy4 s HIS 136 N -2.17 -0.50 -0.01 0.00 -3.43 -0.63 -1.80 115.29 106.76 1qy4 s HIS 136 Ca 0.69 1.20 0.01 0.00 -0.80 0.00 0.00 55.06 56.17 1qy4 s HIS 136 Cb -0.23 0.18 -0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1qy4 s HIS 136 CO 0.39 -0.24 -0.04 0.50 -2.00 0.00 0.00 174.74 173.35 1qy4 s ARG 137 N 0.34 0.33 0.11 -0.38 3.52 0.46 -2.39 118.95 120.95 1qy4 s ARG 137 Ca -0.01 -0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1qy4 s ARG 137 Cb -0.04 -0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 1qy4 s ARG 137 CO -0.01 0.07 0.21 0.95 -0.81 0.00 0.00 175.30 175.71 1qy4 s THR 138 N 0.01 5.12 -0.02 4.11 -4.23 -1.26 0.43 115.64 119.79 1qy4 s THR 138 Ca 0.00 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1qy4 s THR 138 Cb -0.03 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.25 1qy4 s THR 138 CO -0.00 0.01 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.34 1qy4 s VAL 139 N -1.62 0.58 -0.42 2.29 1.01 -0.27 -1.64 120.40 120.32 1qy4 s VAL 139 Ca 0.33 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1qy4 s VAL 139 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1qy4 s VAL 139 CO 0.27 0.19 0.41 0.21 0.00 0.00 0.00 175.10 176.18 1qy4 s ASN 140 N 0.25 6.18 -0.15 3.32 3.84 -0.29 -1.74 114.94 126.36 1qy4 s ASN 140 Ca -0.03 -0.75 0.16 0.00 0.21 0.00 0.00 52.86 52.45 1qy4 s ASN 140 Cb -0.08 -2.21 0.61 0.00 -0.55 0.00 0.00 41.25 39.02 1qy4 s ASN 140 CO 0.00 -0.56 1.52 2.30 -2.79 0.00 0.00 177.10 177.57 1qy4 n ILE 141 N 5.38 2.08 -3.73 -5.21 -5.35 -0.84 -4.31 119.36 107.38 1qy4 n ILE 141 Ca -0.08 -1.48 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 1qy4 n ILE 141 Cb 0.47 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.30 4.74 0.55 3.28 0.00 -1.15 -4.95 105.19 107.96 1qy4 n GLY 142 Ca 0.22 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 44.13 1qy4 n GLY 142 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qy4 n ASP 143 N -0.90 2.93 -4.39 1.61 5.75 -1.26 -4.50 116.55 115.79 1qy4 n ASP 143 Ca 0.00 -2.26 -0.19 0.00 -0.01 0.00 0.00 54.79 52.33 1qy4 n ASP 143 Cb 0.00 -0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 1qy4 n ASP 143 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1qy4 s GLU 144 N -1.45 1.46 0.31 0.11 2.02 -1.26 -4.84 118.70 115.04 1qy4 s GLU 144 Ca 0.23 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 53.20 1qy4 s GLU 144 Cb 0.15 -0.94 -0.13 0.00 0.10 0.00 0.00 34.13 33.32 1qy4 s GLU 144 CO 0.11 -0.01 1.33 -2.30 0.02 0.00 0.00 175.26 174.41 1qy4 n PRO 145 N -0.51 2.11 -3.81 0.39 -0.02 -1.26 -4.31 135.00 127.60 1qy4 n PRO 145 Ca -0.05 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1qy4 n PRO 145 Cb 0.63 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.77 3.07 -0.09 6.00 5.36 -0.45 -3.68 117.98 127.43 1qy4 s PHE 146 Ca 0.59 -0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1qy4 s PHE 146 Cb -0.59 -2.21 0.01 0.00 -0.34 0.00 0.00 43.02 39.89 1qy4 s PHE 146 CO 0.58 -0.35 -0.19 0.42 -1.46 0.00 0.00 175.22 174.22 1qy4 s ILE 147 N 1.51 1.67 0.20 3.12 1.01 -0.16 -0.37 121.20 128.17 1qy4 s ILE 147 Ca 0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1qy4 s ILE 147 Cb -0.15 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1qy4 s ILE 147 CO 0.03 0.47 0.27 0.72 0.00 0.00 0.00 174.94 176.43 1qy4 s PHE 148 N 0.48 0.72 -0.12 3.97 -0.71 -0.76 -0.61 117.98 120.95 1qy4 s PHE 148 Ca -0.17 -1.03 0.03 0.00 -1.04 0.00 0.00 56.93 54.73 1qy4 s PHE 148 Cb -0.17 -0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 1qy4 s PHE 148 CO 0.07 -0.76 -0.23 -1.17 -1.34 0.00 0.00 175.22 171.79 1qy4 s LEU 149 N -3.06 2.09 0.08 -1.99 2.96 0.05 -1.71 118.68 117.10 1qy4 s LEU 149 Ca 0.28 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1qy4 s LEU 149 Cb 0.04 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1qy4 s LEU 149 CO 0.08 0.12 -0.23 0.00 -1.32 0.00 0.00 176.35 175.00 1qy4 s ALA 150 N 0.54 2.44 -0.08 5.97 0.00 0.25 -0.05 121.76 130.83 1qy4 s ALA 150 Ca -0.14 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1qy4 s ALA 150 Cb -0.17 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1qy4 s ALA 150 CO 0.04 0.55 -0.11 0.42 0.00 0.00 0.00 175.76 176.67 1qy4 s ILE 151 N -0.97 1.12 0.01 0.00 1.09 0.69 -0.84 121.20 122.31 1qy4 s ILE 151 Ca 0.14 -0.43 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 1qy4 s ILE 151 Cb -0.10 -1.06 0.00 0.00 -1.06 0.00 0.00 42.46 40.24 1qy4 s ILE 151 CO 0.05 0.36 0.14 -0.72 -0.10 0.00 0.00 174.94 174.68 1qy4 s TYR 152 N 0.99 0.07 0.26 3.97 1.13 -0.31 -1.76 117.35 121.71 1qy4 s TYR 152 Ca -0.08 -0.21 -0.31 0.00 -1.41 0.00 0.00 57.07 55.06 1qy4 s TYR 152 Cb -0.15 -0.06 -0.13 0.00 -1.10 0.00 0.00 41.96 40.53 1qy4 s TYR 152 CO -0.00 -0.33 1.49 -2.30 -2.51 0.00 0.00 175.55 171.90 1qy4 n PRO 153 N 1.20 2.33 0.24 -3.49 -0.02 -1.26 -1.23 135.00 132.77 1qy4 n PRO 153 Ca -0.21 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1qy4 n PRO 153 Cb 0.57 -2.54 0.71 0.00 -0.02 0.00 0.00 33.50 32.21 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 4.46 1.95 -0.03 3.55 0.00 -1.55 -2.25 119.26 125.40 1qy4 h ALA 154 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qy4 h ALA 154 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qy4 h ALA 154 CO 0.77 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 1qy4 n ASP 155 N -4.35 2.00 -0.37 0.00 5.75 -1.25 -4.35 116.55 113.98 1qy4 n ASP 155 Ca -0.01 -1.67 -0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1qy4 n ASP 155 Cb 0.16 -0.01 0.13 0.00 -1.03 0.00 0.00 41.12 40.37 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 4.46 1.31 -2.57 2.12 0.00 -1.73 -3.40 119.26 119.45 1qy4 h ALA 156 Ca 0.00 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.15 1qy4 h ALA 156 Cb 0.66 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1qy4 h ALA 156 CO 0.00 0.57 -0.38 0.41 0.00 0.00 0.00 179.25 179.85 1qy4 n GLY 157 N -1.37 -1.86 2.80 0.00 0.00 -1.26 -1.04 105.19 102.46 1qy4 n GLY 157 Ca 0.13 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.76 1.01 -0.51 1.61 3.76 -1.26 -3.69 115.29 114.45 1qy4 s HIS 158 Ca 0.00 -0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 1qy4 s HIS 158 Cb 0.00 -0.99 0.13 0.00 1.11 0.00 0.00 32.58 32.83 1qy4 s HIS 158 CO 0.00 -0.46 0.43 0.34 -0.85 0.00 0.00 174.74 174.20 1qy4 s ASP 159 N 1.86 5.95 -0.07 1.40 -1.08 0.28 -4.70 116.67 120.32 1qy4 s ASP 159 Ca 0.03 -1.85 -0.06 0.00 -0.52 0.00 0.00 52.55 50.15 1qy4 s ASP 159 Cb -0.14 -2.11 -0.28 0.00 -1.46 0.00 0.00 42.92 38.93 1qy4 s ASP 159 CO -0.07 -0.78 0.58 1.88 0.52 0.00 0.00 175.17 177.31 1qy4 h TYR 160 N 8.67 0.53 -0.85 -5.34 -1.99 -1.84 -2.03 116.97 114.12 1qy4 h TYR 160 Ca -0.26 -0.39 0.17 0.00 2.00 0.00 0.00 58.73 60.25 1qy4 h TYR 160 Cb 1.09 -0.02 -0.16 0.00 2.00 0.00 0.00 36.73 39.64 1qy4 h TYR 160 CO 0.69 1.62 -0.24 0.78 -0.00 0.00 0.00 178.16 181.01 1qy4 h GLY 161 N 1.22 0.51 0.16 3.88 0.00 -1.93 0.13 103.07 107.05 1qy4 h GLY 161 Ca -0.35 0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1qy4 h GLY 161 CO 0.13 -0.31 -0.19 -0.84 0.00 0.00 0.00 176.54 175.34 1qy4 h THR 162 N -0.01 0.47 -0.50 4.70 2.02 -1.99 -1.28 112.91 116.32 1qy4 h THR 162 Ca 0.39 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.48 1qy4 h THR 162 Cb 0.62 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1qy4 h THR 162 CO -0.88 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 175.35 1qy4 h ILE 163 N -0.15 1.27 -0.78 3.11 1.08 -1.64 -2.94 117.51 117.46 1qy4 h ILE 163 Ca 0.16 -1.18 0.07 0.00 -0.39 0.00 0.00 64.86 63.52 1qy4 h ILE 163 Cb 0.40 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1qy4 h ILE 163 CO -0.40 0.41 0.51 0.00 -0.69 0.00 0.00 178.15 177.98 1qy4 h ALA 164 N 0.91 1.66 0.03 1.87 0.00 -0.02 0.17 119.26 123.89 1qy4 h ALA 164 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qy4 h ALA 164 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qy4 h ALA 164 CO 0.04 0.21 -0.02 0.93 0.00 0.00 0.00 179.25 180.41 1qy4 h GLU 165 N 0.82 -0.04 -0.00 0.00 5.08 -1.21 -3.42 114.58 115.81 1qy4 h GLU 165 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1qy4 h GLU 165 Cb 0.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1qy4 h GLU 165 CO -0.12 0.64 -0.04 0.36 -1.00 0.00 0.00 179.01 178.85 1qy4 n LYS 166 N -4.73 1.11 0.00 2.33 2.85 -1.12 -5.10 118.16 113.50 1qy4 n LYS 166 Ca -0.08 -0.54 0.00 0.00 -1.05 0.00 0.00 58.31 56.64 1qy4 n LYS 166 Cb 0.34 -0.97 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1qy4 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qy4 n GLY 167 N 0.42 -0.54 3.92 2.58 0.00 0.61 -4.52 105.19 107.65 1qy4 n GLY 167 Ca 0.02 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 3.48 -0.72 1.61 0.40 -1.26 -4.76 117.98 116.73 1qy4 s PHE 168 Ca 0.00 0.47 0.18 0.00 -0.60 0.00 0.00 56.93 56.98 1qy4 s PHE 168 Cb 0.00 -1.95 0.78 0.00 0.51 0.00 0.00 43.02 42.35 1qy4 s PHE 168 CO 0.00 0.33 1.56 -1.13 0.70 0.00 0.00 175.22 176.67 1qy4 n SER 169 N -0.62 0.34 -4.28 1.36 3.41 -1.26 -4.62 113.62 107.94 1qy4 n SER 169 Ca -0.03 0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 58.96 1qy4 n SER 169 Cb 0.53 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.71 1qy4 n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qy4 s LYS 170 N -3.18 1.12 0.24 4.33 -0.14 -1.26 -1.14 119.74 119.71 1qy4 s LYS 170 Ca 0.05 -1.26 0.08 0.00 -1.36 0.00 0.00 55.97 53.48 1qy4 s LYS 170 Cb 0.09 -1.17 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 1qy4 s LYS 170 CO 0.30 0.24 -0.13 0.96 -0.76 0.00 0.00 175.35 175.96 1qy4 s ILE 171 N -1.82 1.85 -0.20 2.17 -4.36 0.16 -4.69 121.20 114.32 1qy4 s ILE 171 Ca 0.10 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1qy4 s ILE 171 Cb -0.07 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.49 1qy4 s ILE 171 CO 0.05 -0.49 -0.12 -0.69 0.24 0.00 0.00 174.94 173.93 1qy4 s VAL 172 N -2.90 1.70 0.27 8.37 1.01 -1.26 -0.94 120.40 126.65 1qy4 s VAL 172 Ca 0.26 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1qy4 s VAL 172 Cb -0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 1qy4 s VAL 172 CO 0.10 0.22 -0.02 0.27 0.00 0.00 0.00 175.10 175.67 1qy4 s ILE 173 N 1.38 1.31 -0.23 2.22 -4.36 0.69 -2.24 121.20 119.97 1qy4 s ILE 173 Ca -0.00 -2.06 -0.07 0.00 -0.26 0.00 0.00 60.65 58.25 1qy4 s ILE 173 Cb -0.16 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 1qy4 s ILE 173 CO -0.09 -0.26 0.07 -0.70 0.24 0.00 0.00 174.94 174.20 1qy4 s GLU 174 N -3.81 3.75 -0.10 0.37 2.12 -0.71 0.23 118.70 120.55 1qy4 s GLU 174 Ca 0.30 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 1qy4 s GLU 174 Cb 0.05 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 31.20 1qy4 s GLU 174 CO 0.11 -0.04 0.03 -2.00 -0.54 0.00 0.00 175.26 172.82 1qy4 s GLU 175 N 1.21 0.45 -1.27 4.30 2.12 0.11 -4.83 118.70 120.79 1qy4 s GLU 175 Ca 0.05 0.04 -0.03 0.00 0.36 0.00 0.00 54.97 55.39 1qy4 s GLU 175 Cb -0.14 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.08 1qy4 s GLU 175 CO 0.03 -0.40 0.99 0.09 -0.54 0.00 0.00 175.26 175.43 1qy4 n ASN 176 N 5.17 -3.03 0.00 -1.70 5.03 -1.26 -1.61 115.26 117.86 1qy4 n ASN 176 Ca -0.07 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1qy4 n ASN 176 Cb 0.49 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.40 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 -1.43 0.35 3.29 7.41 0.00 -1.26 -4.99 105.19 108.55 1qy4 n GLY 177 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.80 1.77 -0.05 1.61 2.02 -0.63 -5.10 118.70 117.52 1qy4 s GLU 178 Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 1qy4 s GLU 178 Cb 0.00 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.39 1qy4 s GLU 178 CO 0.00 0.48 0.97 0.08 0.02 0.00 0.00 175.26 176.81 1qy4 s VAL 179 N -0.68 4.85 0.02 2.63 1.01 -1.26 0.06 120.40 127.03 1qy4 s VAL 179 Ca 0.10 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.11 1qy4 s VAL 179 Cb -0.09 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1qy4 s VAL 179 CO 0.01 0.10 -0.11 -0.54 0.00 0.00 0.00 175.10 174.56 1qy4 s LYS 180 N 1.40 0.80 -0.27 2.72 1.02 0.14 -4.95 119.74 120.60 1qy4 s LYS 180 Ca 0.49 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 1qy4 s LYS 180 Cb -0.20 -0.76 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 1qy4 s LYS 180 CO 0.23 0.20 0.07 0.08 -0.92 0.00 0.00 175.35 175.01 1qy4 s VAL 181 N -0.59 4.13 0.16 3.17 1.01 -1.26 -0.22 120.40 126.80 1qy4 s VAL 181 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1qy4 s VAL 181 Cb -0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1qy4 s VAL 181 CO 0.00 0.24 0.07 0.68 0.00 0.00 0.00 175.10 176.09 1qy4 s VAL 182 N 1.57 0.20 0.37 2.92 -7.23 -0.11 -4.94 120.40 113.17 1qy4 s VAL 182 Ca 0.05 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 1qy4 s VAL 182 Cb -0.16 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.48 1qy4 s VAL 182 CO 0.03 -0.34 1.43 0.47 -0.31 0.00 0.00 175.10 176.38 1qy4 n ASP 183 N -0.18 3.47 -4.63 4.85 9.92 -1.26 0.40 116.55 129.12 1qy4 n ASP 183 Ca -0.04 1.22 -0.43 0.00 -0.53 0.00 0.00 54.79 55.02 1qy4 n ASP 183 Cb 0.64 -1.58 -0.03 0.00 -0.64 0.00 0.00 41.12 39.51 1qy4 n ASP 183 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1qy4 s ASN 184 N -0.20 6.85 0.32 -2.24 3.84 -0.29 -4.52 114.94 118.70 1qy4 s ASN 184 Ca 0.54 0.95 0.04 0.00 0.21 0.00 0.00 52.86 54.60 1qy4 s ASN 184 Cb -0.50 -2.49 0.55 0.00 -0.55 0.00 0.00 41.25 38.26 1qy4 s ASN 184 CO 0.63 -0.74 1.83 -0.65 -2.79 0.00 0.00 177.10 175.38 1qy4 h PRO 185 N 8.00 0.51 -0.73 0.43 0.11 -1.91 -2.95 132.00 135.45 1qy4 h PRO 185 Ca -0.22 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1qy4 h PRO 185 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1qy4 h PRO 185 CO 0.97 0.59 0.00 2.89 -0.21 0.00 0.00 178.00 182.24 1qy4 n ARG 186 N -4.23 2.04 0.00 1.05 1.85 -1.26 -5.24 116.66 110.87 1qy4 n ARG 186 Ca 0.01 -0.92 0.12 0.00 -1.00 0.00 0.00 57.85 56.05 1qy4 n ARG 186 Cb 0.29 -1.61 0.10 0.00 -1.05 0.00 0.00 32.46 30.19 1qy4 n ARG 186 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49