#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxr s TYR 2 N 0.00 2.58 0.37 1.12 4.12 -1.26 -5.02 117.35 119.25 1qxr s TYR 2 Ca 0.00 1.55 -0.12 0.00 0.02 0.00 0.00 57.07 58.52 1qxr s TYR 2 Cb 0.00 -3.28 -0.07 0.00 -1.52 0.00 0.00 41.96 37.09 1qxr s TYR 2 CO 0.00 -1.76 0.74 0.15 0.02 0.00 0.00 175.55 174.70 1qxr s LYS 3 N -3.64 3.84 -0.06 -0.62 1.02 -1.26 -5.03 119.74 113.99 1qxr s LYS 3 Ca 0.71 0.50 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 1qxr s LYS 3 Cb -0.24 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1qxr s LYS 3 CO 0.34 0.05 0.96 -2.00 -0.92 0.00 0.00 175.35 173.79 1qxr s GLU 4 N -3.52 4.48 0.64 1.68 2.56 -1.26 -5.04 118.70 118.24 1qxr s GLU 4 Ca 0.52 1.34 -0.16 0.00 0.00 0.00 0.00 54.97 56.67 1qxr s GLU 4 Cb -0.10 -3.50 -0.01 0.00 2.00 0.00 0.00 34.13 32.52 1qxr s GLU 4 CO 0.26 -0.17 1.13 -2.14 -0.56 0.00 0.00 175.26 173.79 1qxr s PRO 5 N 1.48 2.86 0.17 4.30 0.02 -1.26 -5.05 135.00 137.51 1qxr s PRO 5 Ca 0.49 1.52 -0.18 0.00 0.02 0.00 0.00 61.00 62.85 1qxr s PRO 5 Cb -0.19 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.42 1qxr s PRO 5 CO 0.22 -1.23 0.49 -0.59 -0.33 0.00 0.00 177.00 175.56 1qxr s PHE 6 N -2.11 -0.20 0.03 6.54 -0.71 -1.26 -5.16 117.98 115.12 1qxr s PHE 6 Ca 0.70 -0.12 0.07 0.00 -1.04 0.00 0.00 56.93 56.54 1qxr s PHE 6 Cb -0.23 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 1qxr s PHE 6 CO 0.38 -0.83 -0.21 0.20 -1.34 0.00 0.00 175.22 173.42 1qxr s GLY 7 N -2.83 1.11 0.00 1.99 0.00 -1.26 -5.14 107.32 101.19 1qxr s GLY 7 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1qxr s GLY 7 CO -0.07 -0.94 -0.12 -1.34 0.00 0.00 0.00 173.10 170.62 1qxr s VAL 8 N -0.74 0.98 -0.09 1.40 -7.23 -1.26 -5.12 120.40 108.35 1qxr s VAL 8 Ca 0.08 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1qxr s VAL 8 Cb -0.09 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 1qxr s VAL 8 CO 0.01 0.21 1.00 -0.75 -0.31 0.00 0.00 175.10 175.26 1qxr s LYS 9 N -0.46 4.45 -0.17 4.82 2.20 -1.26 -4.90 119.74 124.42 1qxr s LYS 9 Ca 0.04 1.39 -0.03 0.00 -0.36 0.00 0.00 55.97 57.01 1qxr s LYS 9 Cb -0.05 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1qxr s LYS 9 CO -0.00 -0.26 -0.05 0.08 -0.36 0.00 0.00 175.35 174.75 1qxr s VAL 10 N 1.82 3.59 -0.42 4.02 1.01 -1.26 -1.98 120.40 127.19 1qxr s VAL 10 Ca 0.49 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1qxr s VAL 10 Cb -0.19 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1qxr s VAL 10 CO 0.20 0.47 0.62 -0.62 0.00 0.00 0.00 175.10 175.77 1qxr s ASP 11 N 0.72 6.33 0.33 3.32 -1.08 -0.69 -4.92 116.67 120.68 1qxr s ASP 11 Ca -0.03 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 1qxr s ASP 11 Cb -0.15 -2.31 1.12 0.00 -1.46 0.00 0.00 42.92 40.12 1qxr s ASP 11 CO 0.02 -0.73 1.78 -0.26 0.52 0.00 0.00 175.17 176.50 1qxr h PHE 12 N 8.79 0.00 0.14 -5.34 0.04 -1.96 0.33 116.94 118.94 1qxr h PHE 12 Ca -0.26 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.19 1qxr h PHE 12 Cb 1.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 1qxr h PHE 12 CO 0.72 0.00 -1.58 0.93 -0.60 0.00 0.00 178.31 177.78 1qxr h GLU 13 N 0.00 0.30 0.00 1.51 4.39 -1.94 -3.39 114.58 115.45 1qxr h GLU 13 Ca 0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1qxr h GLU 13 Cb 0.35 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1qxr h GLU 13 CO 0.00 1.18 -0.73 0.25 -1.16 0.00 0.00 179.01 178.55 1qxr n THR 14 N -3.50 0.00 -0.86 1.13 -2.24 -1.06 -5.00 114.28 102.75 1qxr n THR 14 Ca -0.18 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1qxr n THR 14 Cb 1.05 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1qxr n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qxr n GLY 15 N 1.41 0.60 3.72 3.38 0.00 0.11 -4.93 105.19 109.48 1qxr n GLY 15 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1qxr n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qxr s ILE 16 N -2.73 3.79 -0.19 -0.61 1.01 -1.25 -4.76 121.20 116.47 1qxr s ILE 16 Ca 0.00 1.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 1qxr s ILE 16 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1qxr s ILE 16 CO 0.00 0.13 -0.06 -0.63 0.00 0.00 0.00 174.94 174.39 1qxr s ILE 17 N 0.77 3.43 0.32 2.92 1.01 -1.26 -1.71 121.20 126.67 1qxr s ILE 17 Ca 0.58 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 1qxr s ILE 17 Cb -0.31 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.51 1qxr s ILE 17 CO 0.31 0.46 1.48 -0.62 0.00 0.00 0.00 174.94 176.56 1qxr n GLU 18 N 4.30 2.47 -0.90 2.79 1.02 -0.83 -2.66 120.64 126.82 1qxr n GLU 18 Ca -0.18 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1qxr n GLU 18 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1qxr n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qxr n GLY 19 N 1.44 0.62 3.89 0.62 0.00 -1.26 -4.74 105.19 105.75 1qxr n GLY 19 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1qxr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxr s ALA 20 N -2.75 3.30 -0.22 4.61 0.00 -1.09 -4.95 121.76 120.67 1qxr s ALA 20 Ca 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1qxr s ALA 20 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1qxr s ALA 20 CO 0.00 -0.32 0.36 0.21 0.00 0.00 0.00 175.76 176.01 1qxr s LYS 21 N -4.54 4.12 0.22 0.00 2.20 -0.02 -4.81 119.74 116.92 1qxr s LYS 21 Ca 0.51 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 56.03 1qxr s LYS 21 Cb -0.10 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 1qxr s LYS 21 CO 0.42 -0.08 0.69 0.21 -0.36 0.00 0.00 175.35 176.24 1qxr s LYS 22 N 1.45 4.19 -0.03 4.03 2.20 -1.26 -1.42 119.74 128.89 1qxr s LYS 22 Ca 0.16 0.79 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 1qxr s LYS 22 Cb -0.15 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1qxr s LYS 22 CO 0.08 0.39 -0.08 -1.12 -0.36 0.00 0.00 175.35 174.26 1qxr s SER 23 N -1.71 1.13 -0.10 1.43 0.01 -0.13 -4.99 113.70 109.34 1qxr s SER 23 Ca 0.43 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.55 1qxr s SER 23 Cb -0.16 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.69 1qxr s SER 23 CO 0.20 0.03 -0.21 -0.69 0.41 0.00 0.00 173.24 172.99 1qxr s VAL 24 N 0.42 1.85 -0.24 3.43 1.01 -1.26 -1.32 120.40 124.28 1qxr s VAL 24 Ca -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1qxr s VAL 24 Cb -0.10 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1qxr s VAL 24 CO 0.01 0.51 -0.05 -0.13 0.00 0.00 0.00 175.10 175.44 1qxr s ARG 25 N 0.57 3.04 0.41 2.72 1.81 -0.21 -5.03 118.95 122.26 1qxr s ARG 25 Ca -0.14 -0.85 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 1qxr s ARG 25 Cb -0.17 -3.01 -0.01 0.00 -0.45 0.00 0.00 34.95 31.31 1qxr s ARG 25 CO 0.05 -0.33 0.62 1.03 -0.68 0.00 0.00 175.30 175.98 1qxr s ARG 26 N 1.39 3.19 0.33 3.54 0.52 -1.26 -0.19 118.95 126.47 1qxr s ARG 26 Ca 0.02 -0.48 0.09 0.00 -0.52 0.00 0.00 55.73 54.84 1qxr s ARG 26 Cb -0.16 -2.61 0.83 0.00 0.52 0.00 0.00 34.95 33.53 1qxr s ARG 26 CO -0.04 -0.12 1.80 1.25 0.02 0.00 0.00 175.30 178.21 1qxr h LEU 27 N 0.54 0.69 -2.25 2.53 5.85 -1.32 0.46 115.31 121.81 1qxr h LEU 27 Ca -0.47 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1qxr h LEU 27 Cb 1.24 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1qxr h LEU 27 CO 0.58 0.26 0.02 0.77 -0.34 0.00 0.00 178.44 179.73 1qxr h SER 28 N 0.68 0.00 0.14 1.25 4.64 -1.88 -1.06 113.55 117.32 1qxr h SER 28 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1qxr h SER 28 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1qxr h SER 28 CO -0.32 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.11 1qxr n ASP 29 N -4.16 0.00 -2.75 4.97 8.00 0.15 -4.04 116.55 118.73 1qxr n ASP 29 Ca -0.03 -0.46 -0.24 0.00 0.71 0.00 0.00 54.79 54.77 1qxr n ASP 29 Cb 0.11 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1qxr n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qxr n MET 30 N -1.10 2.86 -2.61 -1.24 2.81 -0.40 -4.98 117.12 112.45 1qxr n MET 30 Ca 0.14 -4.40 -0.41 0.00 -1.81 0.00 0.00 57.70 51.23 1qxr n MET 30 Cb 0.11 -2.08 -0.04 0.00 -0.71 0.00 0.00 33.22 30.49 1qxr n MET 30 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1qxr s GLU 31 N -3.36 4.65 0.00 0.03 2.12 -1.26 -2.86 118.70 118.02 1qxr s GLU 31 Ca 0.45 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.38 1qxr s GLU 31 Cb 0.35 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.43 1qxr s GLU 31 CO -0.13 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1qxr n GLY 32 N 2.09 0.61 0.13 -1.50 0.00 -1.26 -4.94 105.19 100.32 1qxr n GLY 32 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1qxr n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qxr n TYR 33 N -2.76 0.72 -3.57 1.61 4.02 -1.14 -4.91 117.16 111.13 1qxr n TYR 33 Ca 0.00 0.17 -0.31 0.00 -0.01 0.00 0.00 57.90 57.74 1qxr n TYR 33 Cb 0.00 -1.10 -0.05 0.00 -0.02 0.00 0.00 39.34 38.17 1qxr n TYR 33 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1qxr s PHE 34 N -2.54 3.46 0.14 -0.72 0.40 -1.26 -5.01 117.98 112.44 1qxr s PHE 34 Ca -0.24 0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 56.64 1qxr s PHE 34 Cb 0.07 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1qxr s PHE 34 CO 0.72 0.37 1.46 0.28 0.70 0.00 0.00 175.22 178.75 1qxr h VAL 35 N 1.98 1.27 -2.33 -0.44 2.07 -1.92 -3.37 116.25 113.51 1qxr h VAL 35 Ca -0.46 -1.62 -0.72 0.00 0.82 0.00 0.00 66.70 64.72 1qxr h VAL 35 Cb 1.17 1.46 -0.18 0.00 -1.52 0.00 0.00 31.29 32.22 1qxr h VAL 35 CO 0.71 0.54 1.11 -0.62 0.02 0.00 0.00 177.57 179.33 1qxr s ASP 36 N -6.88 6.91 0.48 0.57 -1.08 -1.26 -4.86 116.67 110.54 1qxr s ASP 36 Ca -0.11 -2.65 0.17 0.00 -0.52 0.00 0.00 52.55 49.44 1qxr s ASP 36 Cb 0.11 -2.39 1.17 0.00 -1.46 0.00 0.00 42.92 40.34 1qxr s ASP 36 CO 0.88 -0.85 2.02 -0.08 0.52 0.00 0.00 175.17 177.67 1qxr h GLU 37 N 7.79 0.22 -0.11 4.34 4.81 -1.99 -2.13 114.58 127.50 1qxr h GLU 37 Ca 0.25 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1qxr h GLU 37 Cb 0.93 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1qxr h GLU 37 CO 1.18 0.15 -0.01 0.00 -0.73 0.00 0.00 179.01 179.59 1qxr h ARG 38 N 0.23 0.21 -0.34 1.92 3.08 -1.96 -0.61 114.38 116.91 1qxr h ARG 38 Ca 0.21 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1qxr h ARG 38 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1qxr h ARG 38 CO -0.04 0.48 -0.02 0.00 -1.07 0.00 0.00 179.97 179.32 1qxr h ALA 39 N 0.72 1.33 0.79 0.04 0.00 -1.86 -1.16 119.26 119.11 1qxr h ALA 39 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1qxr h ALA 39 Cb 0.39 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1qxr h ALA 39 CO 0.01 0.46 -0.38 2.35 0.00 0.00 0.00 179.25 181.69 1qxr h TRP 40 N 0.51 -0.98 -0.85 0.00 7.01 -1.17 -0.22 115.95 120.25 1qxr h TRP 40 Ca 0.11 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.18 1qxr h TRP 40 Cb 0.37 0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 27.69 1qxr h TRP 40 CO 0.01 -0.60 0.55 -0.22 -2.79 0.00 0.00 178.44 175.40 1qxr h LYS 41 N -1.13 0.78 -0.04 2.65 3.64 -1.04 0.03 116.57 121.46 1qxr h LYS 41 Ca -0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1qxr h LYS 41 Cb 0.82 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1qxr h LYS 41 CO 0.18 0.52 0.00 1.49 -2.27 0.00 0.00 179.45 179.37 1qxr h GLU 42 N 0.80 0.06 -0.65 1.90 4.81 -1.02 -2.09 114.58 118.39 1qxr h GLU 42 Ca 0.40 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1qxr h GLU 42 Cb 0.45 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1qxr h GLU 42 CO -0.16 0.32 0.28 1.25 -0.73 0.00 0.00 179.01 179.97 1qxr h LEU 43 N -0.21 0.85 0.07 1.64 5.85 -0.33 -0.68 115.31 122.49 1qxr h LEU 43 Ca 0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1qxr h LEU 43 Cb 0.30 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1qxr h LEU 43 CO 0.00 0.74 -0.03 0.58 -0.34 0.00 0.00 178.44 179.39 1qxr h VAL 44 N 0.92 1.08 -0.12 1.05 2.07 -0.97 0.13 116.25 120.41 1qxr h VAL 44 Ca 0.22 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1qxr h VAL 44 Cb 0.14 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1qxr h VAL 44 CO -0.02 0.13 0.06 -0.33 0.02 0.00 0.00 177.57 177.43 1qxr h GLU 45 N -0.34 0.13 0.93 1.57 5.08 -1.27 -1.74 114.58 118.93 1qxr h GLU 45 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1qxr h GLU 45 Cb 0.29 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qxr h GLU 45 CO 0.02 0.09 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.41 1qxr h LYS 46 N 0.13 -1.25 0.00 2.33 3.64 -1.12 -3.43 116.57 116.88 1qxr h LYS 46 Ca 0.05 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1qxr h LYS 46 Cb 0.01 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1qxr h LYS 46 CO -0.03 -0.83 -0.01 -0.85 -2.27 0.00 0.00 179.45 175.46 1qxr n GLU 47 N -5.65 0.95 -4.02 1.90 0.28 -0.12 -5.06 120.64 108.92 1qxr n GLU 47 Ca -0.16 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.40 1qxr n GLU 47 Cb 0.52 -0.08 0.02 0.00 1.43 0.00 0.00 31.44 33.33 1qxr n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1qxr n ASP 48 N -0.05 -4.31 -4.73 -1.84 2.03 -0.34 -4.88 116.55 102.43 1qxr n ASP 48 Ca 0.00 -1.25 -0.31 0.00 0.52 0.00 0.00 54.79 53.75 1qxr n ASP 48 Cb 0.00 -1.82 0.12 0.00 -0.72 0.00 0.00 41.12 38.70 1qxr n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1qxr s PRO 49 N -7.14 1.72 -0.00 -0.67 0.04 -1.26 -4.50 135.00 123.18 1qxr s PRO 49 Ca 0.46 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1qxr s PRO 49 Cb -0.25 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1qxr s PRO 49 CO 0.96 -2.06 1.17 0.08 0.04 0.00 0.00 177.00 177.19 1qxr s VAL 50 N -2.81 4.26 -0.11 -0.36 1.01 -1.26 -1.04 120.40 120.08 1qxr s VAL 50 Ca 0.63 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 1qxr s VAL 50 Cb -0.19 -4.03 -0.27 0.00 0.00 0.00 0.00 36.38 31.89 1qxr s VAL 50 CO 0.57 0.06 0.52 0.58 0.00 0.00 0.00 175.10 176.84 1qxr h VAL 51 N 4.79 0.97 -3.01 2.92 2.07 -0.85 -3.44 116.25 119.71 1qxr h VAL 51 Ca -0.38 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 64.75 1qxr h VAL 51 Cb 1.19 2.67 -0.11 0.00 -1.52 0.00 0.00 31.29 33.52 1qxr h VAL 51 CO 0.84 0.71 0.20 -0.72 0.02 0.00 0.00 177.57 178.62 1qxr s TYR 52 N -2.49 -0.48 0.00 1.57 -0.85 -1.06 -0.93 117.35 113.12 1qxr s TYR 52 Ca -0.20 0.23 0.05 0.00 -0.52 0.00 0.00 57.07 56.63 1qxr s TYR 52 Cb 0.05 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.94 1qxr s TYR 52 CO 0.76 -0.90 -0.15 -1.21 -1.52 0.00 0.00 175.55 172.53 1qxr s GLU 53 N -3.77 1.16 -0.03 -3.49 2.02 -0.68 -1.04 118.70 112.86 1qxr s GLU 53 Ca 0.02 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1qxr s GLU 53 Cb -0.02 -1.14 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 1qxr s GLU 53 CO -0.10 0.31 -0.26 0.08 0.02 0.00 0.00 175.26 175.31 1qxr s VAL 54 N -0.48 2.05 -0.28 2.63 1.01 -0.44 -0.68 120.40 124.21 1qxr s VAL 54 Ca 0.05 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1qxr s VAL 54 Cb -0.06 -1.71 0.07 0.00 0.00 0.00 0.00 36.38 34.67 1qxr s VAL 54 CO -0.00 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.30 1qxr s TYR 55 N -0.44 3.35 -0.07 5.22 1.51 0.06 -0.96 117.35 126.03 1qxr s TYR 55 Ca 0.05 -2.36 0.02 0.00 -1.01 0.00 0.00 57.07 53.76 1qxr s TYR 55 Cb -0.11 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1qxr s TYR 55 CO 0.01 -0.88 -0.10 0.00 -1.11 0.00 0.00 175.55 173.47 1qxr s ALA 56 N 1.10 2.85 -0.32 3.71 0.00 -0.51 -1.40 121.76 127.20 1qxr s ALA 56 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1qxr s ALA 56 Cb -0.20 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.87 1qxr s ALA 56 CO -0.05 0.54 0.03 0.08 0.00 0.00 0.00 175.76 176.35 1qxr s VAL 57 N -0.68 2.06 0.16 0.00 1.01 0.51 -0.84 120.40 122.62 1qxr s VAL 57 Ca 0.10 -2.06 0.09 0.00 0.00 0.00 0.00 61.98 60.11 1qxr s VAL 57 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1qxr s VAL 57 CO 0.01 -0.49 -0.16 -1.61 0.00 0.00 0.00 175.10 172.85 1qxr s GLU 58 N 1.04 1.82 0.48 2.72 2.02 -1.26 -1.94 118.70 123.58 1qxr s GLU 58 Ca 0.07 -1.29 0.07 0.00 0.02 0.00 0.00 54.97 53.84 1qxr s GLU 58 Cb -0.19 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1qxr s GLU 58 CO -0.09 0.45 0.38 -0.65 0.02 0.00 0.00 175.26 175.36 1qxr s GLN 59 N -2.51 2.36 0.60 1.61 -1.52 -1.26 -5.06 119.66 113.87 1qxr s GLN 59 Ca 0.21 -1.80 -0.19 0.00 -1.95 0.00 0.00 55.36 51.63 1qxr s GLN 59 Cb -0.09 -2.21 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1qxr s GLN 59 CO 0.12 -0.40 1.23 -2.00 -0.25 0.00 0.00 175.29 173.99 1qxr s GLU 60 N -4.19 2.92 -0.69 2.91 2.56 -1.26 -4.86 118.70 116.10 1qxr s GLU 60 Ca 0.42 1.90 -0.26 0.00 0.00 0.00 0.00 54.97 57.03 1qxr s GLU 60 Cb -0.02 -1.95 -0.02 0.00 2.00 0.00 0.00 34.13 34.14 1qxr s GLU 60 CO 0.25 -1.26 1.85 -2.00 -0.56 0.00 0.00 175.26 173.54 1qxr s GLU 61 N -3.29 2.64 -0.06 4.30 2.12 -1.26 -4.80 118.70 118.35 1qxr s GLU 61 Ca 0.78 0.36 -0.04 0.00 0.36 0.00 0.00 54.97 56.42 1qxr s GLU 61 Cb -0.32 -4.54 0.02 0.00 0.26 0.00 0.00 34.13 29.55 1qxr s GLU 61 CO 0.35 -2.84 0.14 0.21 -0.54 0.00 0.00 175.26 172.58 1qxr s LYS 62 N 6.96 0.14 0.28 4.30 2.47 -1.26 -4.85 119.74 127.78 1qxr s LYS 62 Ca 0.66 0.25 -0.29 0.00 -1.56 0.00 0.00 55.97 55.03 1qxr s LYS 62 Cb -0.11 -0.00 -0.13 0.00 -1.46 0.00 0.00 37.83 36.12 1qxr s LYS 62 CO 0.15 -0.07 1.23 0.39 0.16 0.00 0.00 175.35 177.22 1qxr n GLU 63 N 3.39 1.79 0.00 4.03 1.02 -1.26 -2.68 120.64 126.93 1qxr n GLU 63 Ca -0.17 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1qxr n GLU 63 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1qxr n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qxr n GLY 64 N 1.38 3.08 3.94 0.62 0.00 -1.26 -5.02 105.19 107.93 1qxr n GLY 64 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1qxr n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qxr s ASP 65 N -1.20 5.02 -0.00 1.61 -1.08 -1.09 -4.97 116.67 114.96 1qxr s ASP 65 Ca 0.00 0.41 0.01 0.00 -0.52 0.00 0.00 52.55 52.45 1qxr s ASP 65 Cb 0.00 -1.16 -0.00 0.00 -1.46 0.00 0.00 42.92 40.30 1qxr s ASP 65 CO 0.00 -1.43 -0.03 -0.76 0.52 0.00 0.00 175.17 173.47 1qxr s LEU 66 N -5.12 2.01 0.20 -1.34 1.43 -1.26 -1.31 118.68 113.29 1qxr s LEU 66 Ca 0.59 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1qxr s LEU 66 Cb -0.11 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1qxr s LEU 66 CO 0.44 0.03 0.13 0.20 0.23 0.00 0.00 176.35 177.38 1qxr s ASN 67 N -0.11 5.38 0.02 2.29 0.01 -0.01 -4.55 114.94 117.97 1qxr s ASN 67 Ca 0.01 -0.23 -0.07 0.00 -0.71 0.00 0.00 52.86 51.86 1qxr s ASN 67 Cb -0.01 -1.35 -0.00 0.00 0.41 0.00 0.00 41.25 40.30 1qxr s ASN 67 CO -0.00 0.03 0.12 0.72 -1.51 0.00 0.00 177.10 176.47 1qxr s PHE 68 N -1.90 0.11 -0.20 2.20 -0.12 -0.82 -1.56 117.98 115.70 1qxr s PHE 68 Ca 0.31 -0.31 -0.25 0.00 -0.05 0.00 0.00 56.93 56.64 1qxr s PHE 68 Cb -0.09 -0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.28 1qxr s PHE 68 CO 0.23 -0.34 0.66 0.00 -0.05 0.00 0.00 175.22 175.72 1qxr s ALA 69 N -2.03 -1.65 0.23 1.99 0.00 -0.18 -0.36 121.76 119.77 1qxr s ALA 69 Ca -0.10 1.70 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1qxr s ALA 69 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1qxr s ALA 69 CO -0.02 -0.33 0.38 0.95 0.00 0.00 0.00 175.76 176.75 1qxr s THR 70 N -0.06 5.24 -0.03 0.00 -4.23 -0.49 -0.22 115.64 115.85 1qxr s THR 70 Ca -0.03 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1qxr s THR 70 Cb -0.04 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.99 1qxr s THR 70 CO 0.03 -0.29 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.79 1qxr s THR 71 N -1.97 1.17 -0.35 3.99 2.01 -0.27 -0.76 115.64 119.46 1qxr s THR 71 Ca 0.36 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 1qxr s THR 71 Cb -0.10 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.47 1qxr s THR 71 CO 0.30 0.34 0.11 -0.69 -0.69 0.00 0.00 174.62 173.99 1qxr s VAL 72 N -0.02 3.54 -0.37 3.82 1.01 0.14 -2.12 120.40 126.40 1qxr s VAL 72 Ca -0.01 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 1qxr s VAL 72 Cb -0.09 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1qxr s VAL 72 CO 0.01 -0.27 0.29 -0.22 0.00 0.00 0.00 175.10 174.91 1qxr s LEU 73 N 1.32 4.75 0.53 3.92 0.20 0.87 -1.68 118.68 128.59 1qxr s LEU 73 Ca -0.01 -0.59 -0.18 0.00 0.69 0.00 0.00 54.13 54.04 1qxr s LEU 73 Cb -0.20 -2.19 -0.07 0.00 -0.43 0.00 0.00 46.19 43.30 1qxr s LEU 73 CO 0.01 -0.35 1.03 -0.31 -0.29 0.00 0.00 176.35 176.43 1qxr s TYR 74 N 1.77 3.12 0.36 5.38 2.02 -0.10 -0.64 117.35 129.25 1qxr s TYR 74 Ca 0.07 1.53 -0.26 0.00 -0.37 0.00 0.00 57.07 58.04 1qxr s TYR 74 Cb -0.18 -2.96 -0.09 0.00 -0.40 0.00 0.00 41.96 38.33 1qxr s TYR 74 CO 0.11 -0.76 1.06 -1.25 -1.57 0.00 0.00 175.55 173.13 1qxr s PRO 75 N -3.71 4.33 0.00 -1.71 0.04 -1.26 -4.76 135.00 127.93 1qxr s PRO 75 Ca 0.64 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1qxr s PRO 75 Cb -0.14 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1qxr s PRO 75 CO 0.28 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.72 1qxr n GLY 76 N 0.63 1.86 3.01 0.56 0.00 -1.26 -4.98 105.19 105.00 1qxr n GLY 76 Ca 0.03 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1qxr n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxr s LYS 77 N -2.00 0.46 -0.43 1.61 1.02 -1.26 -0.25 119.74 118.89 1qxr s LYS 77 Ca 0.00 -0.49 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 1qxr s LYS 77 Cb 0.00 -0.32 0.10 0.00 -0.52 0.00 0.00 37.83 37.09 1qxr s LYS 77 CO 0.00 0.07 0.27 0.08 -0.92 0.00 0.00 175.35 174.85 1qxr s VAL 78 N -0.81 3.97 0.00 3.17 1.01 0.22 -4.89 120.40 123.07 1qxr s VAL 78 Ca -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1qxr s VAL 78 Cb -0.06 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1qxr s VAL 78 CO 0.00 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1qxr n GLY 79 N 4.83 2.03 0.01 4.51 0.00 -1.26 -1.23 105.19 114.09 1qxr n GLY 79 Ca -0.08 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1qxr n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qxr n LYS 80 N 3.53 0.14 -3.05 1.61 5.02 -1.26 -4.95 118.16 119.20 1qxr n LYS 80 Ca 0.00 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 1qxr n LYS 80 Cb 0.00 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1qxr n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qxr s GLU 81 N -3.10 4.37 0.48 1.97 2.12 -0.36 -1.28 118.70 122.89 1qxr s GLU 81 Ca 0.06 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 55.99 1qxr s GLU 81 Cb 0.16 -3.49 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 1qxr s GLU 81 CO 0.83 -0.06 1.25 -0.06 -0.54 0.00 0.00 175.26 176.69 1qxr s PHE 82 N 1.23 2.65 0.29 5.30 0.40 -0.96 0.70 117.98 127.60 1qxr s PHE 82 Ca 0.35 1.46 -0.28 0.00 -0.60 0.00 0.00 56.93 57.86 1qxr s PHE 82 Cb -0.17 -3.57 -0.14 0.00 0.51 0.00 0.00 43.02 39.65 1qxr s PHE 82 CO 0.15 -2.09 1.06 1.19 0.70 0.00 0.00 175.22 176.23 1qxr n PHE 83 N -0.61 1.44 -3.91 0.36 3.01 0.66 -4.76 117.46 113.65 1qxr n PHE 83 Ca 0.08 0.68 -0.09 0.00 1.01 0.00 0.00 57.45 59.12 1qxr n PHE 83 Cb 0.46 -2.28 -0.06 0.00 -0.01 0.00 0.00 39.48 37.59 1qxr n PHE 83 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1qxr s PHE 84 N -1.01 0.29 0.59 1.38 -0.12 -1.26 -1.68 117.98 116.17 1qxr s PHE 84 Ca 0.59 -0.65 -0.11 0.00 -0.05 0.00 0.00 56.93 56.70 1qxr s PHE 84 Cb -0.69 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 1qxr s PHE 84 CO 0.60 -0.75 1.00 0.95 -0.05 0.00 0.00 175.22 176.97 1qxr s THR 85 N -3.95 4.70 0.27 -4.49 -4.23 -0.49 -4.93 115.64 102.52 1qxr s THR 85 Ca 0.15 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 1qxr s THR 85 Cb 0.03 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1qxr s THR 85 CO -0.01 -1.05 1.82 0.11 -0.54 0.00 0.00 174.62 174.95 1qxr h LYS 86 N -0.07 0.85 0.00 3.99 1.57 -1.95 -3.42 116.57 117.54 1qxr h LYS 86 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1qxr h LYS 86 Cb 1.19 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1qxr h LYS 86 CO 0.62 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1qxr n GLY 87 N -1.33 -1.32 3.56 3.86 0.00 -1.26 -4.86 105.19 103.84 1qxr n GLY 87 Ca 0.17 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1qxr n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qxr s HIS 88 N -3.20 -0.32 0.41 1.61 -3.43 -1.09 -4.69 115.29 104.57 1qxr s HIS 88 Ca 0.00 0.12 0.02 0.00 -0.80 0.00 0.00 55.06 54.40 1qxr s HIS 88 Cb 0.00 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.72 1qxr s HIS 88 CO 0.00 -0.70 0.60 -0.06 -2.00 0.00 0.00 174.74 172.58 1qxr s PHE 89 N -3.31 3.21 0.37 0.38 0.08 -0.33 -2.11 117.98 116.27 1qxr s PHE 89 Ca 0.06 0.10 -0.21 0.00 0.12 0.00 0.00 56.93 57.01 1qxr s PHE 89 Cb -0.01 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 40.15 1qxr s PHE 89 CO -0.06 -0.22 0.89 -1.01 -0.10 0.00 0.00 175.22 174.72 1qxr s HIS 90 N -2.42 3.43 0.21 0.36 3.76 -1.26 0.13 115.29 119.49 1qxr s HIS 90 Ca 0.47 1.55 -0.10 0.00 -0.15 0.00 0.00 55.06 56.83 1qxr s HIS 90 Cb -0.10 -2.79 0.19 0.00 1.11 0.00 0.00 32.58 30.99 1qxr s HIS 90 CO 0.36 0.03 1.87 0.00 -0.85 0.00 0.00 174.74 176.14 1qxr h ALA 91 N 2.35 0.97 -2.27 -1.40 0.00 -0.93 -3.12 119.26 114.87 1qxr h ALA 91 Ca -0.48 -0.04 -0.73 0.00 0.00 0.00 0.00 54.91 53.66 1qxr h ALA 91 Cb 1.18 -0.27 -0.21 0.00 0.00 0.00 0.00 17.79 18.49 1qxr h ALA 91 CO 0.63 0.32 0.40 0.15 0.00 0.00 0.00 179.25 180.75 1qxr s LYS 92 N -6.12 3.49 0.34 0.00 1.02 -0.79 -4.93 119.74 112.75 1qxr s LYS 92 Ca -0.13 -1.95 0.14 0.00 0.02 0.00 0.00 55.97 54.06 1qxr s LYS 92 Cb 0.15 -4.59 1.12 0.00 -0.52 0.00 0.00 37.83 33.99 1qxr s LYS 92 CO 0.78 -1.54 1.61 -0.07 -0.92 0.00 0.00 175.35 175.21 1qxr h LEU 93 N 9.29 0.23 -0.09 3.17 3.38 -1.85 -0.87 115.31 128.58 1qxr h LEU 93 Ca 0.05 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1qxr h LEU 93 Cb 1.04 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qxr h LEU 93 CO 0.97 -0.30 0.00 -0.90 0.09 0.00 0.00 178.44 178.29 1qxr n ASP 94 N -5.22 0.13 -4.73 -0.43 3.85 -1.26 -0.95 116.55 107.93 1qxr n ASP 94 Ca 0.32 -1.99 -0.41 0.00 -0.71 0.00 0.00 54.79 52.00 1qxr n ASP 94 Cb 1.06 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 40.77 1qxr n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1qxr s ARG 95 N -1.97 4.66 0.68 0.11 3.00 -0.33 -4.41 118.95 120.69 1qxr s ARG 95 Ca 0.02 1.54 0.00 0.00 0.00 0.00 0.00 55.73 57.29 1qxr s ARG 95 Cb 0.01 -3.35 0.11 0.00 0.00 0.00 0.00 34.95 31.72 1qxr s ARG 95 CO 0.01 0.16 0.94 0.00 0.00 0.00 0.00 175.30 176.41 1qxr s ALA 96 N -0.02 3.79 0.01 2.13 0.00 -1.26 -4.31 121.76 122.09 1qxr s ALA 96 Ca 0.48 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1qxr s ALA 96 Cb -0.25 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1qxr s ALA 96 CO 0.31 -1.29 0.30 -2.00 0.00 0.00 0.00 175.76 173.08 1qxr s GLU 97 N -5.05 0.71 -0.08 0.00 2.12 -0.32 -4.24 118.70 111.85 1qxr s GLU 97 Ca 0.64 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.68 1qxr s GLU 97 Cb -0.06 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.65 1qxr s GLU 97 CO 0.43 -0.21 -0.13 0.08 -0.54 0.00 0.00 175.26 174.89 1qxr s VAL 98 N -1.77 1.24 -0.02 3.70 1.01 -0.65 -0.68 120.40 123.24 1qxr s VAL 98 Ca -0.11 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1qxr s VAL 98 Cb -0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1qxr s VAL 98 CO 0.01 0.38 -0.05 -0.31 0.00 0.00 0.00 175.10 175.13 1qxr s TYR 99 N 0.73 2.94 -0.17 5.22 1.51 -0.55 -0.68 117.35 126.35 1qxr s TYR 99 Ca -0.13 0.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1qxr s TYR 99 Cb -0.16 -1.65 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1qxr s TYR 99 CO 0.03 0.38 -0.10 0.08 -1.11 0.00 0.00 175.55 174.83 1qxr s VAL 100 N -0.96 1.43 0.10 0.71 1.01 0.42 -0.36 120.40 122.74 1qxr s VAL 100 Ca 0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1qxr s VAL 100 Cb -0.11 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1qxr s VAL 100 CO 0.06 0.27 0.97 0.00 0.00 0.00 0.00 175.10 176.41 1qxr s ALA 101 N 1.51 3.24 -0.09 5.51 0.00 0.10 -0.61 121.76 131.42 1qxr s ALA 101 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1qxr s ALA 101 Cb -0.14 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1qxr s ALA 101 CO -0.09 -0.07 -0.08 1.28 0.00 0.00 0.00 175.76 176.80 1qxr n LEU 102 N 2.94 2.88 -3.72 0.00 4.77 0.12 -1.05 117.00 122.94 1qxr n LEU 102 Ca 0.03 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1qxr n LEU 102 Cb 0.49 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1qxr n LEU 102 CO 0.51 0.63 0.09 -0.75 -1.33 0.00 0.00 177.39 176.55 1qxr s LYS 103 N -2.18 0.68 0.54 3.23 2.20 -0.77 -4.65 119.74 118.79 1qxr s LYS 103 Ca -0.12 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1qxr s LYS 103 Cb 0.03 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1qxr s LYS 103 CO 0.21 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1qxr n GLY 104 N 1.56 -2.21 3.18 5.54 0.00 -1.25 -0.76 105.19 111.26 1qxr n GLY 104 Ca -0.19 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 1qxr n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxr s LYS 105 N -0.25 3.03 0.00 1.61 1.02 -1.26 -4.05 119.74 119.85 1qxr s LYS 105 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1qxr s LYS 105 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1qxr s LYS 105 CO 0.00 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1qxr n GLY 106 N 3.95 2.88 3.77 -3.33 0.00 -0.47 -2.20 105.19 109.79 1qxr n GLY 106 Ca -0.20 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.94 1qxr n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qxr s GLY 107 N -0.25 -0.17 -0.06 -0.02 0.00 -0.51 -0.99 107.32 105.32 1qxr s GLY 107 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.89 1qxr s GLY 107 CO 0.00 0.79 -0.24 -0.29 0.00 0.00 0.00 173.10 173.36 1qxr s MET 108 N -2.80 2.44 -0.19 2.90 1.75 0.76 -1.30 119.30 122.86 1qxr s MET 108 Ca 0.16 -0.86 -0.09 0.00 -1.25 0.00 0.00 55.69 53.64 1qxr s MET 108 Cb -0.00 -2.07 -0.05 0.00 2.84 0.00 0.00 34.83 35.55 1qxr s MET 108 CO 0.02 0.36 0.13 -1.17 -0.65 0.00 0.00 175.02 173.70 1qxr s LEU 109 N -0.13 4.22 0.08 4.11 0.20 0.62 -0.24 118.68 127.56 1qxr s LEU 109 Ca -0.04 0.26 0.05 0.00 0.69 0.00 0.00 54.13 55.10 1qxr s LEU 109 Cb -0.13 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.51 1qxr s LEU 109 CO 0.04 0.22 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.41 1qxr s LEU 110 N 0.13 2.31 0.05 -0.68 1.02 0.44 -0.93 118.68 121.02 1qxr s LEU 110 Ca 0.09 -0.67 -0.16 0.00 0.02 0.00 0.00 54.13 53.41 1qxr s LEU 110 Cb -0.11 -0.51 0.03 0.00 0.02 0.00 0.00 46.19 45.62 1qxr s LEU 110 CO -0.01 -0.10 0.35 0.00 0.02 0.00 0.00 176.35 176.61 1qxr s GLN 111 N -2.01 0.87 0.70 1.70 -2.07 -0.66 -0.34 119.66 117.85 1qxr s GLN 111 Ca 0.01 -0.46 -0.08 0.00 -1.82 0.00 0.00 55.36 53.01 1qxr s GLN 111 Cb -0.08 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1qxr s GLN 111 CO 0.02 -0.29 1.03 0.95 -1.32 0.00 0.00 175.29 175.68 1qxr s THR 112 N -2.59 2.70 0.63 3.63 -4.23 -0.73 -0.29 115.64 114.76 1qxr s THR 112 Ca -0.05 -0.05 0.28 0.00 -1.18 0.00 0.00 61.69 60.69 1qxr s THR 112 Cb -0.01 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.99 1qxr s THR 112 CO -0.03 -0.19 1.85 -0.65 -0.54 0.00 0.00 174.62 175.05 1qxr h PRO 113 N -0.60 0.00 0.00 3.99 0.11 -1.93 -1.39 132.00 132.17 1qxr h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qxr h PRO 113 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qxr h PRO 113 CO 0.62 0.00 -0.82 0.39 -0.21 0.00 0.00 178.00 177.98 1qxr n GLU 114 N -3.28 0.07 0.00 1.05 4.71 -1.26 -4.99 120.64 116.93 1qxr n GLU 114 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1qxr n GLU 114 Cb 0.58 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 1qxr n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qxr n GLY 115 N 1.47 0.66 3.69 0.62 0.00 -0.53 -5.06 105.19 106.04 1qxr n GLY 115 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1qxr n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qxr s ASP 116 N -1.89 6.85 0.21 1.61 1.01 -1.26 -4.63 116.67 118.57 1qxr s ASP 116 Ca 0.00 2.14 0.07 0.00 0.71 0.00 0.00 52.55 55.47 1qxr s ASP 116 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1qxr s ASP 116 CO 0.00 -0.70 0.11 0.00 0.21 0.00 0.00 175.17 174.79 1qxr s ALA 117 N 2.19 3.45 0.03 5.23 0.00 -1.26 -1.77 121.76 129.63 1qxr s ALA 117 Ca 0.64 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1qxr s ALA 117 Cb -0.32 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1qxr s ALA 117 CO 0.27 0.38 0.06 0.15 0.00 0.00 0.00 175.76 176.63 1qxr s LYS 118 N -3.40 0.53 -0.09 0.00 3.01 0.54 -4.97 119.74 115.36 1qxr s LYS 118 Ca 0.31 -0.75 0.02 0.00 -1.01 0.00 0.00 55.97 54.55 1qxr s LYS 118 Cb -0.09 0.21 0.01 0.00 -1.01 0.00 0.00 37.83 36.95 1qxr s LYS 118 CO 0.22 -0.12 -0.16 -0.46 0.51 0.00 0.00 175.35 175.35 1qxr s TRP 119 N -2.44 1.85 -0.15 3.18 -0.11 -1.26 -0.42 118.94 119.58 1qxr s TRP 119 Ca -0.06 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.49 1qxr s TRP 119 Cb -0.02 -1.31 0.02 0.00 -1.50 0.00 0.00 33.47 30.66 1qxr s TRP 119 CO -0.04 -0.37 -0.14 0.42 -4.62 0.00 0.00 176.95 172.20 1qxr s ILE 120 N 0.70 1.56 0.41 5.86 1.01 0.67 -4.96 121.20 126.44 1qxr s ILE 120 Ca -0.13 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 1qxr s ILE 120 Cb -0.16 -1.48 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 1qxr s ILE 120 CO 0.03 0.44 1.04 -0.94 0.00 0.00 0.00 174.94 175.51 1qxr s SER 121 N 1.49 6.74 -0.04 3.58 1.04 -1.26 -0.17 113.70 125.07 1qxr s SER 121 Ca 0.05 2.02 0.01 0.00 0.48 0.00 0.00 55.95 58.50 1qxr s SER 121 Cb -0.13 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.43 1qxr s SER 121 CO -0.10 -0.50 -0.04 -0.04 0.98 0.00 0.00 173.24 173.53 1qxr s MET 122 N -2.57 0.77 0.16 4.02 -1.94 -0.16 -4.88 119.30 114.70 1qxr s MET 122 Ca 0.58 -0.08 0.01 0.00 -1.71 0.00 0.00 55.69 54.49 1qxr s MET 122 Cb -0.21 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 1qxr s MET 122 CO 0.26 -0.09 0.02 -1.83 -0.01 0.00 0.00 175.02 173.38 1qxr s GLU 123 N 0.95 1.06 0.12 2.03 -1.05 -1.26 -1.37 118.70 119.18 1qxr s GLU 123 Ca -0.11 -1.51 -0.35 0.00 -0.15 0.00 0.00 54.97 52.85 1qxr s GLU 123 Cb -0.14 -0.11 -0.15 0.00 -0.44 0.00 0.00 34.13 33.29 1qxr s GLU 123 CO -0.00 -0.18 1.45 -2.30 0.95 0.00 0.00 175.26 175.18 1qxr n PRO 124 N -0.20 1.63 0.00 -4.83 -0.02 -1.26 -0.81 135.00 129.51 1qxr n PRO 124 Ca -0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qxr n PRO 124 Cb 0.63 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1qxr n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxr n GLY 125 N 2.94 3.03 3.73 -1.23 0.00 -0.21 -4.98 105.19 108.47 1qxr n GLY 125 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1qxr n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qxr s THR 126 N -2.76 2.65 -0.14 2.61 2.01 0.01 -4.80 115.64 115.21 1qxr s THR 126 Ca 0.00 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1qxr s THR 126 Cb 0.00 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1qxr s THR 126 CO 0.00 0.06 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.15 1qxr s VAL 127 N 0.64 2.81 -0.14 3.82 1.01 -1.26 -0.72 120.40 126.55 1qxr s VAL 127 Ca 0.65 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1qxr s VAL 127 Cb -0.43 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1qxr s VAL 127 CO 0.37 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 175.25 1qxr s VAL 128 N 0.56 3.84 -0.31 2.92 1.01 0.51 -4.95 120.40 123.97 1qxr s VAL 128 Ca -0.09 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1qxr s VAL 128 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1qxr s VAL 128 CO 0.04 0.51 0.38 -0.47 0.00 0.00 0.00 175.10 175.56 1qxr s TYR 129 N 0.20 3.22 -0.51 5.22 6.14 -1.26 -1.49 117.35 128.87 1qxr s TYR 129 Ca -0.03 0.17 -0.16 0.00 0.64 0.00 0.00 57.07 57.70 1qxr s TYR 129 Cb -0.14 -2.66 0.09 0.00 0.42 0.00 0.00 41.96 39.68 1qxr s TYR 129 CO 0.03 -0.36 0.47 0.08 0.64 0.00 0.00 175.55 176.41 1qxr s VAL 130 N 2.08 5.17 0.85 3.14 1.01 0.14 -5.00 120.40 127.80 1qxr s VAL 130 Ca 0.14 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1qxr s VAL 130 Cb -0.16 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.08 1qxr s VAL 130 CO 0.11 -0.74 1.10 -2.84 0.00 0.00 0.00 175.10 172.73 1qxr s PRO 131 N 1.77 1.60 0.24 2.72 0.02 -1.26 -1.18 135.00 138.91 1qxr s PRO 131 Ca 0.05 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 61.91 1qxr s PRO 131 Cb -0.26 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.29 1qxr s PRO 131 CO 0.06 -2.09 1.00 -2.30 -0.33 0.00 0.00 177.00 173.33 1qxr n PRO 132 N -3.82 1.13 -0.78 5.54 -0.02 -1.26 -2.68 135.00 133.10 1qxr n PRO 132 Ca 0.09 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1qxr n PRO 132 Cb 0.53 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1qxr n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qxr n TYR 133 N 0.58 0.00 -3.67 6.00 4.01 -0.13 -4.94 117.16 119.01 1qxr n TYR 133 Ca 0.12 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 1qxr n TYR 133 Cb 0.29 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 1qxr n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1qxr s TRP 134 N -3.48 3.41 0.61 -0.72 0.52 -1.09 -4.04 118.94 114.15 1qxr s TRP 134 Ca 0.00 0.39 -0.14 0.00 0.02 0.00 0.00 56.10 56.37 1qxr s TRP 134 Cb 0.00 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 1qxr s TRP 134 CO 0.00 0.25 1.04 0.00 0.02 0.00 0.00 176.95 178.26 1qxr s ALA 135 N 0.48 2.81 -0.06 0.98 0.00 0.60 -4.78 121.76 121.79 1qxr s ALA 135 Ca 0.10 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1qxr s ALA 135 Cb -0.12 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1qxr s ALA 135 CO 0.00 -0.81 0.28 -3.38 0.00 0.00 0.00 175.76 171.85 1qxr s HIS 136 N -2.69 -0.22 -0.03 0.00 -3.43 -0.90 -1.66 115.29 106.37 1qxr s HIS 136 Ca 0.61 0.48 -0.05 0.00 -0.80 0.00 0.00 55.06 55.30 1qxr s HIS 136 Cb -0.14 0.08 0.01 0.00 -1.43 0.00 0.00 32.58 31.10 1qxr s HIS 136 CO 0.42 -0.26 0.12 0.50 -2.00 0.00 0.00 174.74 173.52 1qxr s ARG 137 N -0.57 0.23 0.10 -0.38 3.52 -0.11 -2.69 118.95 119.06 1qxr s ARG 137 Ca -0.07 -0.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 1qxr s ARG 137 Cb -0.04 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 1qxr s ARG 137 CO 0.02 -0.04 -0.01 0.95 -0.81 0.00 0.00 175.30 175.41 1qxr s THR 138 N -0.36 3.90 -0.02 4.11 -4.23 -1.26 -0.27 115.64 117.51 1qxr s THR 138 Ca -0.04 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1qxr s THR 138 Cb -0.03 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 70.95 1qxr s THR 138 CO 0.00 0.09 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.44 1qxr s VAL 139 N -1.35 0.42 -0.36 2.29 1.01 -0.42 -1.40 120.40 120.59 1qxr s VAL 139 Ca 0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1qxr s VAL 139 Cb -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1qxr s VAL 139 CO 0.18 0.16 0.61 0.21 0.00 0.00 0.00 175.10 176.26 1qxr s ASN 140 N 0.45 6.39 -0.12 3.32 3.84 -0.67 -1.43 114.94 126.72 1qxr s ASN 140 Ca -0.05 0.05 0.16 0.00 0.21 0.00 0.00 52.86 53.24 1qxr s ASN 140 Cb -0.09 -2.31 0.64 0.00 -0.55 0.00 0.00 41.25 38.94 1qxr s ASN 140 CO -0.00 -0.59 1.55 2.30 -2.79 0.00 0.00 177.10 177.57 1qxr n ILE 141 N 5.58 1.92 -3.54 -5.21 -5.35 -0.93 -4.23 119.36 107.60 1qxr n ILE 141 Ca -0.02 -1.33 0.00 0.00 -0.27 0.00 0.00 62.75 61.13 1qxr n ILE 141 Cb 0.49 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1qxr n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qxr n GLY 142 N 0.66 5.52 0.24 3.28 0.00 -1.21 -4.96 105.19 108.73 1qxr n GLY 142 Ca 0.23 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1qxr n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qxr n ASP 143 N -0.84 1.41 -4.51 1.61 9.92 -1.26 -4.55 116.55 118.33 1qxr n ASP 143 Ca 0.00 -1.20 -0.24 0.00 -0.53 0.00 0.00 54.79 52.82 1qxr n ASP 143 Cb 0.00 0.71 -0.11 0.00 -0.64 0.00 0.00 41.12 41.09 1qxr n ASP 143 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1qxr s GLU 144 N -2.46 1.74 0.42 -1.24 0.41 -1.26 -4.80 118.70 111.50 1qxr s GLU 144 Ca 0.12 -1.95 -0.26 0.00 -0.41 0.00 0.00 54.97 52.47 1qxr s GLU 144 Cb 0.15 -1.26 -0.10 0.00 -1.78 0.00 0.00 34.13 31.15 1qxr s GLU 144 CO 0.62 -0.06 1.30 -2.30 -0.49 0.00 0.00 175.26 174.32 1qxr n PRO 145 N -0.76 2.00 -3.70 0.39 -0.02 -1.26 -4.27 135.00 127.37 1qxr n PRO 145 Ca -0.04 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 1qxr n PRO 145 Cb 0.66 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 1qxr n PRO 145 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qxr s PHE 146 N -1.19 3.17 -0.06 6.00 5.36 0.18 -3.88 117.98 127.57 1qxr s PHE 146 Ca 0.60 -0.81 0.06 0.00 -0.96 0.00 0.00 56.93 55.82 1qxr s PHE 146 Cb -0.50 -2.32 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1qxr s PHE 146 CO 0.58 -0.54 -0.25 0.42 -1.46 0.00 0.00 175.22 173.98 1qxr s ILE 147 N 1.55 2.09 0.09 3.12 1.01 0.06 -0.09 121.20 129.02 1qxr s ILE 147 Ca 0.03 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 1qxr s ILE 147 Cb -0.17 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1qxr s ILE 147 CO 0.05 0.57 0.22 0.72 0.00 0.00 0.00 174.94 176.50 1qxr s PHE 148 N -0.12 0.09 -0.06 3.97 -0.71 -0.90 -0.70 117.98 119.54 1qxr s PHE 148 Ca -0.05 -0.47 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 1qxr s PHE 148 Cb -0.14 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 1qxr s PHE 148 CO 0.04 -0.55 -0.07 -1.17 -1.34 0.00 0.00 175.22 172.13 1qxr s LEU 149 N -2.75 3.17 0.01 -1.99 2.96 0.22 -1.12 118.68 119.19 1qxr s LEU 149 Ca 0.03 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1qxr s LEU 149 Cb 0.04 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1qxr s LEU 149 CO -0.10 0.35 -0.17 0.00 -1.32 0.00 0.00 176.35 175.11 1qxr s ALA 150 N -0.83 1.43 -0.09 5.97 0.00 0.69 -0.44 121.76 128.49 1qxr s ALA 150 Ca 0.13 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1qxr s ALA 150 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1qxr s ALA 150 CO 0.02 0.33 -0.11 0.42 0.00 0.00 0.00 175.76 176.42 1qxr s ILE 151 N -0.58 1.11 0.02 0.00 1.09 0.14 -1.01 121.20 121.98 1qxr s ILE 151 Ca 0.06 -0.42 -0.07 0.00 -1.10 0.00 0.00 60.65 59.12 1qxr s ILE 151 Cb -0.07 -1.06 -0.00 0.00 -1.06 0.00 0.00 42.46 40.27 1qxr s ILE 151 CO 0.00 0.36 0.14 -0.72 -0.10 0.00 0.00 174.94 174.62 1qxr s TYR 152 N 1.07 0.08 0.27 3.97 1.13 -0.60 -1.63 117.35 121.64 1qxr s TYR 152 Ca -0.07 -0.24 -0.31 0.00 -1.41 0.00 0.00 57.07 55.05 1qxr s TYR 152 Cb -0.14 -0.07 -0.12 0.00 -1.10 0.00 0.00 41.96 40.52 1qxr s TYR 152 CO -0.01 -0.33 1.51 -2.30 -2.51 0.00 0.00 175.55 171.91 1qxr n PRO 153 N 1.17 2.39 -0.14 -3.49 -0.02 -1.26 -0.83 135.00 132.82 1qxr n PRO 153 Ca -0.21 0.85 0.27 0.00 -2.02 0.00 0.00 63.50 62.39 1qxr n PRO 153 Cb 0.57 -2.58 0.72 0.00 -0.02 0.00 0.00 33.50 32.19 1qxr n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qxr h ALA 154 N 4.53 2.76 -0.55 3.55 0.00 -1.43 -0.86 119.26 127.26 1qxr h ALA 154 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qxr h ALA 154 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1qxr h ALA 154 CO 0.78 -1.03 0.00 -0.40 0.00 0.00 0.00 179.25 178.60 1qxr n ASP 155 N -4.22 4.68 -0.10 0.00 5.75 -1.26 -4.34 116.55 117.07 1qxr n ASP 155 Ca 0.17 -2.60 -0.14 0.00 -0.01 0.00 0.00 54.79 52.21 1qxr n ASP 155 Cb 0.90 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 1qxr n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qxr h ALA 156 N 3.54 0.49 -1.02 2.12 0.00 -1.50 -3.41 119.26 119.48 1qxr h ALA 156 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1qxr h ALA 156 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1qxr h ALA 156 CO 0.26 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1qxr n GLY 157 N 0.20 -0.03 3.13 0.00 0.00 -1.26 -0.62 105.19 106.62 1qxr n GLY 157 Ca -0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1qxr n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qxr s HIS 158 N 0.00 -0.33 -0.47 1.61 3.76 -1.26 -3.60 115.29 115.00 1qxr s HIS 158 Ca 0.00 0.79 0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1qxr s HIS 158 Cb 0.00 0.10 0.13 0.00 1.11 0.00 0.00 32.58 33.91 1qxr s HIS 158 CO 0.00 -0.19 0.23 0.34 -0.85 0.00 0.00 174.74 174.27 1qxr s ASP 159 N 0.58 4.11 0.09 1.40 2.15 0.12 -4.40 116.67 120.73 1qxr s ASP 159 Ca -0.04 -2.75 0.13 0.00 0.43 0.00 0.00 52.55 50.33 1qxr s ASP 159 Cb -0.05 -1.40 -0.13 0.00 -0.30 0.00 0.00 42.92 41.04 1qxr s ASP 159 CO -0.03 -0.26 1.02 1.88 -0.17 0.00 0.00 175.17 177.60 1qxr h TYR 160 N 6.74 0.00 -0.61 -5.34 -1.99 -1.83 -0.87 116.97 113.07 1qxr h TYR 160 Ca -0.06 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.80 1qxr h TYR 160 Cb 0.92 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.55 1qxr h TYR 160 CO 0.49 0.76 0.06 0.78 -0.00 0.00 0.00 178.16 180.25 1qxr h GLY 161 N 3.46 0.71 0.94 3.88 0.00 -1.91 -0.82 103.07 109.33 1qxr h GLY 161 Ca -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1qxr h GLY 161 CO 0.08 -0.17 0.14 -0.84 0.00 0.00 0.00 176.54 175.74 1qxr h THR 162 N 0.17 1.13 -0.37 4.70 2.02 -1.98 -2.62 112.91 115.96 1qxr h THR 162 Ca 0.32 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1qxr h THR 162 Cb 0.51 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1qxr h THR 162 CO -0.48 0.13 -0.08 0.40 0.37 0.00 0.00 175.52 175.87 1qxr h ILE 163 N 0.30 1.28 -0.02 3.11 1.08 -1.75 -2.31 117.51 119.20 1qxr h ILE 163 Ca 0.09 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1qxr h ILE 163 Cb 0.09 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1qxr h ILE 163 CO -0.01 0.38 -0.01 0.00 -0.69 0.00 0.00 178.15 177.82 1qxr h ALA 164 N 0.83 1.95 0.04 1.87 0.00 -1.04 1.04 119.26 123.96 1qxr h ALA 164 Ca 0.10 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1qxr h ALA 164 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qxr h ALA 164 CO 0.04 0.04 -0.82 1.49 0.00 0.00 0.00 179.25 180.00 1qxr h GLU 165 N 0.03 0.08 0.00 0.00 4.57 -1.39 -3.41 114.58 114.46 1qxr h GLU 165 Ca 0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1qxr h GLU 165 Cb 0.04 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1qxr h GLU 165 CO 0.00 1.07 -1.44 1.63 -1.18 0.00 0.00 179.01 179.09 1qxr n LYS 166 N -4.35 0.87 0.00 1.92 5.02 -0.88 -5.10 118.16 115.64 1qxr n LYS 166 Ca -0.21 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1qxr n LYS 166 Cb 0.67 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1qxr n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qxr n GLY 167 N 1.49 -1.08 3.91 0.72 0.00 0.36 -4.70 105.19 105.89 1qxr n GLY 167 Ca -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1qxr n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qxr s PHE 168 N 0.00 3.49 -0.99 1.61 0.40 -1.26 -4.78 117.98 116.45 1qxr s PHE 168 Ca 0.00 0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.78 1qxr s PHE 168 Cb 0.00 -1.87 0.29 0.00 0.51 0.00 0.00 43.02 41.94 1qxr s PHE 168 CO 0.00 0.48 1.21 -1.13 0.70 0.00 0.00 175.22 176.49 1qxr n SER 169 N 0.00 0.01 -4.26 1.36 3.41 -1.26 -4.65 113.62 108.24 1qxr n SER 169 Ca -0.04 0.50 -0.15 0.00 -0.26 0.00 0.00 58.87 58.93 1qxr n SER 169 Cb 0.52 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1qxr n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qxr s LYS 170 N -3.01 1.08 0.14 4.33 -0.14 -1.26 -1.90 119.74 118.98 1qxr s LYS 170 Ca 0.03 -1.45 0.04 0.00 -1.36 0.00 0.00 55.97 53.23 1qxr s LYS 170 Cb 0.04 -0.67 -0.04 0.00 -1.68 0.00 0.00 37.83 35.48 1qxr s LYS 170 CO 0.12 0.09 -0.10 0.96 -0.76 0.00 0.00 175.35 175.65 1qxr s ILE 171 N -3.25 1.15 -0.23 2.17 -4.36 0.74 -4.69 121.20 112.73 1qxr s ILE 171 Ca 0.17 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1qxr s ILE 171 Cb 0.02 -1.77 0.05 0.00 1.25 0.00 0.00 42.46 42.01 1qxr s ILE 171 CO 0.01 -0.70 -0.13 -0.69 0.24 0.00 0.00 174.94 173.66 1qxr s VAL 172 N -3.14 2.08 0.31 8.37 1.01 -1.26 -0.89 120.40 126.89 1qxr s VAL 172 Ca 0.15 -1.38 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1qxr s VAL 172 Cb 0.01 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1qxr s VAL 172 CO 0.01 0.15 0.03 0.27 0.00 0.00 0.00 175.10 175.55 1qxr s ILE 173 N 1.19 1.33 -0.28 2.22 -4.36 -0.40 -2.27 121.20 118.63 1qxr s ILE 173 Ca -0.04 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 1qxr s ILE 173 Cb -0.18 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1qxr s ILE 173 CO -0.08 -0.09 0.18 -0.70 0.24 0.00 0.00 174.94 174.50 1qxr s GLU 174 N -3.84 3.86 -0.13 0.37 2.12 -0.40 -0.94 118.70 119.73 1qxr s GLU 174 Ca 0.34 -0.38 -0.02 0.00 0.36 0.00 0.00 54.97 55.28 1qxr s GLU 174 Cb 0.08 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.87 1qxr s GLU 174 CO 0.14 -0.21 0.00 -2.00 -0.54 0.00 0.00 175.26 172.65 1qxr s GLU 175 N 1.74 0.78 -1.18 4.30 2.12 -0.19 -4.83 118.70 121.44 1qxr s GLU 175 Ca 0.07 -0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.17 1qxr s GLU 175 Cb -0.16 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.65 1qxr s GLU 175 CO 0.10 -0.45 1.00 0.09 -0.54 0.00 0.00 175.26 175.47 1qxr n ASN 176 N 5.07 -3.73 0.00 -1.70 5.03 -1.26 -2.15 115.26 116.52 1qxr n ASN 176 Ca -0.09 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1qxr n ASN 176 Cb 0.49 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 1qxr n ASN 176 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qxr n GLY 177 N -1.45 0.50 3.50 7.41 0.00 -1.26 -4.97 105.19 108.92 1qxr n GLY 177 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1qxr n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qxr s GLU 178 N -0.50 2.19 0.03 1.61 2.02 -0.91 -5.09 118.70 118.04 1qxr s GLU 178 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.76 1qxr s GLU 178 Cb 0.00 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1qxr s GLU 178 CO 0.00 0.55 1.09 0.08 0.02 0.00 0.00 175.26 177.00 1qxr s VAL 179 N -0.97 4.44 -0.00 2.63 1.01 -1.26 -1.02 120.40 125.22 1qxr s VAL 179 Ca 0.16 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.91 1qxr s VAL 179 Cb -0.11 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1qxr s VAL 179 CO 0.07 0.14 -0.05 -0.54 0.00 0.00 0.00 175.10 174.71 1qxr s LYS 180 N 1.03 0.41 -0.31 2.72 1.02 -0.12 -4.96 119.74 119.54 1qxr s LYS 180 Ca 0.55 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 56.27 1qxr s LYS 180 Cb -0.25 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 1qxr s LYS 180 CO 0.29 0.10 0.16 0.08 -0.92 0.00 0.00 175.35 175.06 1qxr s VAL 181 N -0.09 4.73 0.27 3.17 1.01 -1.26 -1.27 120.40 126.97 1qxr s VAL 181 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1qxr s VAL 181 Cb -0.02 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1qxr s VAL 181 CO -0.00 0.08 0.06 0.68 0.00 0.00 0.00 175.10 175.92 1qxr s VAL 182 N 1.64 0.87 0.37 2.92 -7.23 -0.07 -4.94 120.40 113.96 1qxr s VAL 182 Ca 0.05 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 1qxr s VAL 182 Cb -0.17 -2.61 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 1qxr s VAL 182 CO 0.07 -0.09 1.27 0.47 -0.31 0.00 0.00 175.10 176.51 1qxr n ASP 183 N -0.52 2.61 -4.65 4.85 9.92 -1.26 -0.18 116.55 127.31 1qxr n ASP 183 Ca -0.02 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 54.99 1qxr n ASP 183 Cb 0.66 -1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.62 1qxr n ASP 183 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1qxr s ASN 184 N -0.39 6.91 0.37 -2.24 3.84 -0.80 -4.54 114.94 118.09 1qxr s ASN 184 Ca 0.57 1.13 0.15 0.00 0.21 0.00 0.00 52.86 54.92 1qxr s ASN 184 Cb -0.55 -2.46 0.72 0.00 -0.55 0.00 0.00 41.25 38.40 1qxr s ASN 184 CO 0.61 -0.51 1.80 1.55 -2.79 0.00 0.00 177.10 177.76 1qxr h PRO 185 N 7.54 0.00 0.00 0.43 0.13 -1.93 -2.66 132.00 135.51 1qxr h PRO 185 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qxr h PRO 185 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qxr h PRO 185 CO 0.88 0.39 0.00 0.54 -0.23 0.00 0.00 178.00 179.58 1qxr n ARG 186 N -3.91 0.27 0.00 0.86 1.74 -1.26 -5.24 116.66 109.12 1qxr n ARG 186 Ca -0.01 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.30 1qxr n ARG 186 Cb 0.44 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.62 1qxr n ARG 186 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98