#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qng n GLY 7 N 0.00 0.37 3.73 0.72 0.00 0.61 -4.97 105.19 105.66 2qng n GLY 7 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2qng n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qng s ILE 8 N -2.09 3.95 -0.12 -0.61 1.01 -0.49 -4.82 121.20 118.03 2qng s ILE 8 Ca 0.00 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.28 2qng s ILE 8 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 2qng s ILE 8 CO 0.00 0.23 -0.05 0.54 0.00 0.00 0.00 174.94 175.66 2qng n ARG 9 N 2.82 1.22 -3.70 2.79 5.12 -1.26 -4.20 116.66 119.44 2qng n ARG 9 Ca 0.04 0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 2qng n ARG 9 Cb 0.46 -1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 2qng n ARG 9 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2qng s LYS 10 N -2.25 0.48 0.02 5.56 2.20 -1.26 -1.07 119.74 123.41 2qng s LYS 10 Ca -0.12 0.75 0.06 0.00 -0.36 0.00 0.00 55.97 56.30 2qng s LYS 10 Cb 0.04 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2qng s LYS 10 CO 0.35 -0.12 -0.18 0.08 -0.36 0.00 0.00 175.35 175.13 2qng s VAL 11 N 0.91 1.41 -0.13 4.02 1.01 -0.32 -4.00 120.40 123.30 2qng s VAL 11 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2qng s VAL 11 Cb -0.06 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2qng s VAL 11 CO -0.07 0.25 -0.18 -0.70 0.00 0.00 0.00 175.10 174.39 2qng s GLU 12 N -0.81 3.17 -0.20 2.72 2.12 0.40 -0.38 118.70 125.72 2qng s GLU 12 Ca 0.06 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 2qng s GLU 12 Cb -0.08 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 2qng s GLU 12 CO 0.01 0.10 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.63 2qng s LEU 13 N 0.57 3.08 0.03 2.70 2.96 -1.26 -1.23 118.68 125.53 2qng s LEU 13 Ca -0.11 -0.29 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 2qng s LEU 13 Cb -0.16 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2qng s LEU 13 CO 0.04 0.04 -0.26 0.00 -1.32 0.00 0.00 176.35 174.84 2qng s ALA 14 N 1.15 2.23 0.00 5.97 0.00 0.39 -4.29 121.76 127.20 2qng s ALA 14 Ca 0.02 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2qng s ALA 14 Cb -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2qng s ALA 14 CO 0.00 0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.28 2qng s VAL 15 N -0.75 0.73 0.07 0.00 1.01 -0.05 -0.97 120.40 120.43 2qng s VAL 15 Ca 0.11 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2qng s VAL 15 Cb -0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2qng s VAL 15 CO 0.01 0.15 -0.05 -1.59 0.00 0.00 0.00 175.10 173.62 2qng s LYS 16 N -0.38 0.66 0.23 2.72 -2.85 -0.01 -1.17 119.74 118.95 2qng s LYS 16 Ca 0.02 -1.14 -0.22 0.00 -1.00 0.00 0.00 55.97 53.63 2qng s LYS 16 Cb -0.04 -0.04 0.04 0.00 -2.06 0.00 0.00 37.83 35.73 2qng s LYS 16 CO -0.00 -0.04 0.78 1.67 0.10 0.00 0.00 175.35 177.86 2qng s TRP 17 N -3.20 -0.20 0.08 1.78 -2.14 -1.26 -0.87 118.94 113.12 2qng s TRP 17 Ca 0.04 -0.19 0.02 0.00 2.66 0.00 0.00 56.10 58.64 2qng s TRP 17 Cb 0.03 0.68 -0.04 0.00 -3.10 0.00 0.00 33.47 31.03 2qng s TRP 17 CO -0.06 -1.08 0.11 -0.51 -2.66 0.00 0.00 176.95 172.75 2qng s ASP 18 N -2.90 5.71 0.77 -2.66 1.01 0.26 -4.72 116.67 114.14 2qng s ASP 18 Ca 0.11 0.05 -0.11 0.00 0.71 0.00 0.00 52.55 53.30 2qng s ASP 18 Cb -0.04 -1.59 0.06 0.00 1.01 0.00 0.00 42.92 42.36 2qng s ASP 18 CO 0.04 0.17 1.11 -2.16 0.21 0.00 0.00 175.17 174.54 2qng s PRO 19 N -2.44 2.13 0.82 8.23 0.04 -1.25 -4.22 135.00 138.30 2qng s PRO 19 Ca 0.31 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 2qng s PRO 19 Cb -0.12 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.63 2qng s PRO 19 CO 0.23 -1.76 1.19 -1.12 0.04 0.00 0.00 177.00 175.59 2qng s SER 20 N -3.06 3.57 0.57 6.66 0.01 -1.26 -4.86 113.70 115.33 2qng s SER 20 Ca 0.64 2.32 -0.20 0.00 1.31 0.00 0.00 55.95 60.02 2qng s SER 20 Cb -0.19 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 2qng s SER 20 CO 0.53 -2.68 1.09 -2.65 0.41 0.00 0.00 173.24 169.94 2qng n PRO 21 N -3.40 1.16 -1.64 12.44 -0.02 -1.26 -4.87 135.00 137.40 2qng n PRO 21 Ca 0.13 0.44 -0.45 0.00 -2.02 0.00 0.00 63.50 61.60 2qng n PRO 21 Cb 0.51 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 2qng n PRO 21 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qng n PRO 22 N -0.94 1.76 0.00 0.52 -0.02 -1.26 -1.55 135.00 133.51 2qng n PRO 22 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2qng n PRO 22 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2qng n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qng n GLY 23 N 1.79 2.31 3.91 -1.23 0.00 -1.26 -5.03 105.19 105.69 2qng n GLY 23 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2qng n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qng s ASP 24 N -2.49 6.31 0.39 1.61 1.11 -0.59 -5.04 116.67 117.96 2qng s ASP 24 Ca 0.00 0.85 -0.27 0.00 0.18 0.00 0.00 52.55 53.31 2qng s ASP 24 Cb 0.00 -2.21 -0.11 0.00 1.07 0.00 0.00 42.92 41.67 2qng s ASP 24 CO 0.00 -0.49 1.37 -2.65 1.18 0.00 0.00 175.17 174.59 2qng n PRO 25 N -1.99 2.27 -1.95 8.23 -0.02 -1.26 -4.86 135.00 135.42 2qng n PRO 25 Ca -0.00 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 2qng n PRO 25 Cb 0.55 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 2qng n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qng s ALA 26 N -1.15 2.89 -0.23 3.55 0.00 -1.26 -4.72 121.76 120.84 2qng s ALA 26 Ca 0.57 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.56 2qng s ALA 26 Cb -0.50 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 2qng s ALA 26 CO 0.61 -1.12 0.48 0.99 0.00 0.00 0.00 175.76 176.72 2qng s THR 27 N -1.38 5.11 -0.19 0.00 2.01 -1.26 -4.97 115.64 114.96 2qng s THR 27 Ca 0.68 0.85 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 2qng s THR 27 Cb -0.36 -3.81 0.06 0.00 0.01 0.00 0.00 72.50 68.40 2qng s THR 27 CO 0.44 0.15 0.01 -0.62 -0.69 0.00 0.00 174.62 173.91 2qng s ASP 28 N 1.32 3.00 -0.05 3.53 2.15 -1.26 -3.53 116.67 121.84 2qng s ASP 28 Ca 0.21 -0.84 -0.05 0.00 0.43 0.00 0.00 52.55 52.30 2qng s ASP 28 Cb -0.15 -0.70 -0.04 0.00 -0.30 0.00 0.00 42.92 41.72 2qng s ASP 28 CO 0.09 -0.28 0.18 -0.76 -0.17 0.00 0.00 175.17 174.23 2qng s LEU 29 N 1.78 4.38 -0.03 -1.34 1.02 -1.26 -0.73 118.68 122.49 2qng s LEU 29 Ca -0.01 0.44 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2qng s LEU 29 Cb -0.17 -2.41 -0.00 0.00 0.02 0.00 0.00 46.19 43.62 2qng s LEU 29 CO -0.07 0.32 -0.16 -1.81 0.02 0.00 0.00 176.35 174.64 2qng s ASP 30 N -1.54 1.99 0.13 2.29 1.01 0.17 -4.76 116.67 115.95 2qng s ASP 30 Ca 0.23 -0.32 -0.26 0.00 0.71 0.00 0.00 52.55 52.90 2qng s ASP 30 Cb -0.13 -0.47 -0.07 0.00 1.01 0.00 0.00 42.92 43.26 2qng s ASP 30 CO 0.13 0.15 0.82 -0.63 0.21 0.00 0.00 175.17 175.85 2qng s ILE 31 N -0.04 4.47 -0.02 0.77 1.01 -1.26 -1.05 121.20 125.08 2qng s ILE 31 Ca -0.01 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.45 2qng s ILE 31 Cb -0.10 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2qng s ILE 31 CO 0.01 0.44 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 2qng s VAL 32 N -0.64 0.79 0.09 2.92 1.01 -0.23 -4.48 120.40 119.87 2qng s VAL 32 Ca 0.39 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2qng s VAL 32 Cb -0.23 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2qng s VAL 32 CO 0.26 0.24 -0.22 0.00 0.00 0.00 0.00 175.10 175.38 2qng s ALA 33 N 0.04 1.90 -0.01 5.51 0.00 -0.21 -0.48 121.76 128.52 2qng s ALA 33 Ca -0.01 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2qng s ALA 33 Cb -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2qng s ALA 33 CO 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 175.76 176.07 2qng s ALA 34 N -1.07 0.81 0.10 0.00 0.00 -0.12 -0.45 121.76 121.04 2qng s ALA 34 Ca 0.08 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2qng s ALA 34 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2qng s ALA 34 CO 0.04 0.17 0.11 0.95 0.00 0.00 0.00 175.76 177.03 2qng s THR 35 N -0.08 4.60 0.03 0.00 -4.23 -0.75 -1.15 115.64 114.05 2qng s THR 35 Ca 0.01 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2qng s THR 35 Cb -0.05 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2qng s THR 35 CO -0.00 0.06 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.68 2qng s PHE 36 N -1.50 0.82 0.29 3.99 0.08 0.09 -0.17 117.98 121.57 2qng s PHE 36 Ca 0.30 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.78 2qng s PHE 36 Cb -0.12 -0.49 -0.09 0.00 -0.57 0.00 0.00 43.02 41.75 2qng s PHE 36 CO 0.23 -0.02 0.86 -0.51 -0.10 0.00 0.00 175.22 175.68 2qng s LEU 37 N -1.03 4.31 0.06 -0.37 1.43 -1.26 -1.32 118.68 120.51 2qng s LEU 37 Ca -0.03 1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 54.42 2qng s LEU 37 Cb -0.07 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 2qng s LEU 37 CO 0.01 -0.05 1.90 0.00 0.23 0.00 0.00 176.35 178.43 2qng n ALA 38 N 0.54 1.74 0.00 4.21 0.00 0.77 -1.60 120.51 126.17 2qng n ALA 38 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2qng n ALA 38 Cb 0.51 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2qng n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qng n GLY 39 N 4.37 2.18 2.44 0.00 0.00 -1.26 -4.89 105.19 108.03 2qng n GLY 39 Ca 0.19 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 2qng n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qng n ASP 40 N 0.18 1.94 0.23 1.61 2.03 -0.63 -4.97 116.55 116.94 2qng n ASP 40 Ca 0.00 -3.16 0.16 0.00 0.52 0.00 0.00 54.79 52.31 2qng n ASP 40 Cb 0.00 -0.58 0.65 0.00 -0.72 0.00 0.00 41.12 40.47 2qng n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qng h ALA 41 N 2.97 1.00 -0.01 -1.67 0.00 -1.80 -2.74 119.26 117.01 2qng h ALA 41 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qng h ALA 41 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2qng h ALA 41 CO 0.59 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.50 2qng n TYR 42 N -2.77 0.05 0.00 0.00 4.01 -1.26 -4.83 117.16 112.35 2qng n TYR 42 Ca 0.01 -0.92 0.00 0.00 -0.16 0.00 0.00 57.90 56.83 2qng n TYR 42 Cb 0.26 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2qng n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qng n GLY 43 N -1.24 1.66 3.69 2.72 0.00 -1.03 -4.09 105.19 106.90 2qng n GLY 43 Ca 0.14 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2qng n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qng s LYS 44 N 4.22 4.32 0.29 1.61 2.20 -1.26 -4.69 119.74 126.44 2qng s LYS 44 Ca 0.00 1.88 -0.30 0.00 -0.36 0.00 0.00 55.97 57.20 2qng s LYS 44 Cb 0.00 -3.52 -0.13 0.00 -1.51 0.00 0.00 37.83 32.68 2qng s LYS 44 CO 0.00 -0.50 1.36 -2.30 -0.36 0.00 0.00 175.35 173.55 2qng n PRO 45 N 5.05 2.12 -0.15 4.03 -0.02 -1.26 -4.72 135.00 140.05 2qng n PRO 45 Ca 0.12 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 2qng n PRO 45 Cb 0.44 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2qng n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qng h ALA 46 N 3.43 0.58 -2.85 3.55 0.00 -0.93 -3.47 119.26 119.57 2qng h ALA 46 Ca -0.46 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.18 2qng h ALA 46 Cb 1.28 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 2qng h ALA 46 CO 0.69 0.42 0.27 1.52 0.00 0.00 0.00 179.25 182.16 2qng s TYR 47 N -4.88 -0.42 0.12 0.00 -0.85 -1.25 -5.02 117.35 105.06 2qng s TYR 47 Ca -0.12 0.16 0.09 0.00 -0.52 0.00 0.00 57.07 56.67 2qng s TYR 47 Cb 0.11 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 2qng s TYR 47 CO 0.82 -0.88 -0.22 0.14 -1.52 0.00 0.00 175.55 173.89 2qng s VAL 48 N -3.66 1.86 -0.09 -3.49 -7.23 -1.26 -1.81 120.40 104.71 2qng s VAL 48 Ca 0.04 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2qng s VAL 48 Cb -0.02 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.22 2qng s VAL 48 CO -0.07 -0.09 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.76 2qng s VAL 49 N -1.33 1.62 0.20 1.32 1.01 0.41 -4.71 120.40 118.91 2qng s VAL 49 Ca 0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2qng s VAL 49 Cb -0.09 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.89 2qng s VAL 49 CO 0.05 0.46 0.50 0.00 0.00 0.00 0.00 175.10 176.12 2qng n HIS 50 N 3.72 -1.60 0.30 5.22 1.44 -0.79 -1.04 115.22 122.47 2qng n HIS 50 Ca -0.21 -0.99 0.18 0.00 -2.01 0.00 0.00 57.72 54.69 2qng n HIS 50 Cb 0.52 0.49 1.01 0.00 0.12 0.00 0.00 29.99 32.14 2qng n HIS 50 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2qng h PHE 51 N 1.58 0.00 -0.22 -1.40 -5.15 -2.00 -0.31 116.94 109.43 2qng h PHE 51 Ca -0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 2qng h PHE 51 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.89 2qng h PHE 51 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 172.84 2qng n ASP 52 N -3.48 3.59 -3.32 -0.68 2.03 -1.26 -4.88 116.55 108.56 2qng n ASP 52 Ca -0.02 -2.96 -0.11 0.00 0.52 0.00 0.00 54.79 52.22 2qng n ASP 52 Cb 0.14 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 2qng n ASP 52 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qng s SER 53 N -2.00 0.54 0.52 1.67 0.15 -0.13 -5.15 113.70 109.30 2qng s SER 53 Ca 0.39 -0.72 -0.20 0.00 0.70 0.00 0.00 55.95 56.11 2qng s SER 53 Cb 0.32 0.99 -0.06 0.00 -1.71 0.00 0.00 66.02 65.55 2qng s SER 53 CO 0.08 -0.32 1.14 -0.13 1.20 0.00 0.00 173.24 175.21 2qng s ARG 54 N 2.22 3.49 0.51 5.44 0.52 -1.26 -1.89 118.95 127.98 2qng s ARG 54 Ca 0.12 1.65 -0.23 0.00 -0.52 0.00 0.00 55.73 56.74 2qng s ARG 54 Cb -0.12 -2.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2qng s ARG 54 CO -0.23 -0.74 1.38 0.45 0.02 0.00 0.00 175.30 176.18 2qng s SER 55 N -1.66 5.53 0.42 0.23 0.15 -1.26 -4.90 113.70 112.22 2qng s SER 55 Ca 0.70 2.81 0.28 0.00 0.70 0.00 0.00 55.95 60.44 2qng s SER 55 Cb -0.25 -2.64 0.96 0.00 -1.71 0.00 0.00 66.02 62.38 2qng s SER 55 CO 0.29 -1.40 1.81 1.55 1.20 0.00 0.00 173.24 176.69 2qng h PRO 56 N 1.82 0.00 -0.01 5.44 0.13 -1.94 -3.29 132.00 134.15 2qng h PRO 56 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qng h PRO 56 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2qng h PRO 56 CO 0.59 0.00 -0.01 -0.40 -0.23 0.00 0.00 178.00 177.95 2qng n ASP 57 N -2.81 1.46 -0.09 1.44 5.68 -1.26 -5.01 116.55 115.97 2qng n ASP 57 Ca 0.02 -1.23 -0.01 0.00 -0.50 0.00 0.00 54.79 53.07 2qng n ASP 57 Cb 0.36 0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2qng n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qng n GLY 58 N 0.38 0.32 0.08 6.12 0.00 -1.24 -4.87 105.19 105.97 2qng n GLY 58 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2qng n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qng n THR 59 N -2.45 0.45 -4.39 2.61 -2.24 -1.26 -4.77 114.28 102.23 2qng n THR 59 Ca -0.01 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 2qng n THR 59 Cb 0.30 -0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.17 2qng n THR 59 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qng s ILE 60 N -3.33 1.08 -0.13 2.28 1.01 -1.26 -0.29 121.20 120.57 2qng s ILE 60 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 2qng s ILE 60 Cb 0.11 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.61 2qng s ILE 60 CO 0.79 0.35 0.48 -0.72 0.00 0.00 0.00 174.94 175.85 2qng s TYR 61 N 0.94 -0.48 -0.09 3.97 -0.85 -0.09 -4.06 117.35 116.70 2qng s TYR 61 Ca -0.09 1.06 -0.27 0.00 -0.52 0.00 0.00 57.07 57.24 2qng s TYR 61 Cb -0.15 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 2qng s TYR 61 CO 0.00 -0.35 0.90 -1.17 -1.52 0.00 0.00 175.55 173.42 2qng s LEU 62 N -0.33 4.27 -0.01 -3.49 2.96 -1.26 -0.53 118.68 120.29 2qng s LEU 62 Ca -0.05 1.41 -0.03 0.00 -0.22 0.00 0.00 54.13 55.24 2qng s LEU 62 Cb -0.03 -3.39 -0.27 0.00 0.50 0.00 0.00 46.19 42.99 2qng s LEU 62 CO 0.03 -0.33 0.79 0.78 -1.32 0.00 0.00 176.35 176.30 2qng h ASN 63 N 7.03 0.38 -4.78 3.68 4.21 -0.75 -3.48 115.58 121.86 2qng h ASN 63 Ca -0.35 -0.57 0.01 0.00 1.21 0.00 0.00 56.30 56.61 2qng h ASN 63 Cb 1.17 -0.12 -0.17 0.00 -1.12 0.00 0.00 38.32 38.08 2qng h ASN 63 CO 0.81 1.48 0.31 0.00 -1.29 0.00 0.00 177.43 178.74 2qng s ARG 64 N -2.61 1.00 0.34 0.81 1.70 -1.15 -4.97 118.95 114.08 2qng s ARG 64 Ca -0.10 -0.08 0.03 0.00 -0.47 0.00 0.00 55.73 55.11 2qng s ARG 64 Cb 0.07 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 2qng s ARG 64 CO 0.84 -0.38 0.08 0.16 -1.08 0.00 0.00 175.30 174.92 2qng s ASP 65 N -1.88 2.39 -0.12 -2.89 -4.77 -1.26 -1.91 116.67 106.23 2qng s ASP 65 Ca -0.03 -1.45 -0.12 0.00 -3.30 0.00 0.00 52.55 47.65 2qng s ASP 65 Cb -0.01 0.09 0.03 0.00 -1.09 0.00 0.00 42.92 41.95 2qng s ASP 65 CO -0.02 -0.70 0.33 -0.55 0.70 0.00 0.00 175.17 174.93 2qng s SER 66 N -3.51 -0.34 0.00 2.11 0.15 -1.22 -4.79 113.70 106.10 2qng s SER 66 Ca 0.33 0.66 0.22 0.00 0.70 0.00 0.00 55.95 57.86 2qng s SER 66 Cb 0.07 0.68 0.35 0.00 -1.71 0.00 0.00 66.02 65.40 2qng s SER 66 CO 0.15 -0.12 1.32 0.29 1.20 0.00 0.00 173.24 176.08 2qng n LYS 67 N 2.88 2.33 0.00 5.44 5.02 -1.26 -4.53 118.16 128.05 2qng n LYS 67 Ca -0.13 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 2qng n LYS 67 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2qng n LYS 67 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qng n ASP 68 N 1.34 0.00 0.00 4.39 5.68 -1.23 -4.19 116.55 122.54 2qng n ASP 68 Ca 0.17 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 2qng n ASP 68 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2qng n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qng n GLY 69 N 0.00 1.09 3.67 6.12 0.00 -1.25 -3.97 105.19 110.84 2qng n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qng n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qng s LYS 70 N -0.09 4.22 0.00 1.61 1.02 -1.26 -4.20 119.74 121.03 2qng s LYS 70 Ca 0.00 1.98 0.00 0.00 0.02 0.00 0.00 55.97 57.97 2qng s LYS 70 Cb 0.00 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 2qng s LYS 70 CO 0.00 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 2qng n GLY 71 N 3.87 4.33 3.81 -3.33 0.00 -1.26 -5.06 105.19 107.55 2qng n GLY 71 Ca 0.15 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2qng n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qng s PHE 72 N -0.57 3.19 0.00 1.61 5.36 -1.26 -4.86 117.98 121.46 2qng s PHE 72 Ca 0.00 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2qng s PHE 72 Cb 0.00 -2.93 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 2qng s PHE 72 CO 0.00 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 173.69 2qng n GLY 73 N -0.67 -1.26 3.70 13.12 0.00 -1.26 -4.84 105.19 113.99 2qng n GLY 73 Ca 0.08 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2qng n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qng s TRP 74 N 0.00 3.39 -0.07 1.61 0.52 -1.26 -4.75 118.94 118.38 2qng s TRP 74 Ca 0.00 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.52 2qng s TRP 74 Cb 0.00 -3.33 -0.25 0.00 -1.15 0.00 0.00 33.47 28.74 2qng s TRP 74 CO 0.00 -0.90 0.57 -0.44 0.02 0.00 0.00 176.95 176.20 2qng h ASP 75 N 7.12 0.24 -4.27 2.95 3.32 -1.46 -3.47 116.42 120.85 2qng h ASP 75 Ca -0.37 -0.49 -0.45 0.00 0.02 0.00 0.00 57.03 55.74 2qng h ASP 75 Cb 1.18 -0.08 -0.26 0.00 0.22 0.00 0.00 39.33 40.39 2qng h ASP 75 CO 0.84 1.44 -0.80 -1.61 -1.72 0.00 0.00 179.24 177.39 2qng s GLU 76 N -2.58 0.98 0.34 3.56 2.02 -0.62 -3.39 118.70 119.01 2qng s GLU 76 Ca -0.13 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2qng s GLU 76 Cb 0.07 -0.97 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 2qng s GLU 76 CO 0.81 0.25 0.42 0.08 0.02 0.00 0.00 175.26 176.84 2qng s VAL 77 N -0.64 0.00 -0.26 2.63 1.01 -0.80 -0.87 120.40 121.47 2qng s VAL 77 Ca 0.03 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.10 2qng s VAL 77 Cb -0.07 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.77 2qng s VAL 77 CO 0.01 0.00 0.67 -0.89 0.00 0.00 0.00 175.10 174.88 2qng s THR 79 N -3.13 -0.00 -0.28 3.92 2.01 0.31 0.09 115.64 118.56 2qng s THR 79 Ca 0.34 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.37 2qng s THR 79 Cb 0.00 -0.95 0.07 0.00 0.01 0.00 0.00 72.50 71.64 2qng s THR 79 CO 0.23 0.00 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.37 2qng s LEU 80 N 1.04 3.46 -1.33 4.42 1.02 0.49 -0.91 118.68 126.87 2qng s LEU 80 Ca -0.05 -1.56 -0.13 0.00 0.02 0.00 0.00 54.13 52.40 2qng s LEU 80 Cb -0.05 -1.41 0.11 0.00 0.02 0.00 0.00 46.19 44.86 2qng s LEU 80 CO -0.10 -0.27 1.90 -0.62 0.02 0.00 0.00 176.35 177.28 2qng n GLU 81 N 4.48 3.25 -0.20 1.70 1.02 0.60 -1.17 120.64 130.32 2qng n GLU 81 Ca -0.08 -3.22 0.00 0.00 -0.02 0.00 0.00 57.16 53.85 2qng n GLU 81 Cb 0.43 -3.17 0.25 0.00 -0.02 0.00 0.00 31.44 28.92 2qng n GLU 81 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2qng h LEU 82 N 9.72 0.83 -1.42 -4.62 3.38 -1.66 -0.95 115.31 120.60 2qng h LEU 82 Ca 0.45 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.52 2qng h LEU 82 Cb 0.71 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2qng h LEU 82 CO 1.63 0.63 0.54 -1.13 0.09 0.00 0.00 178.44 180.19 2qng h ASN 83 N 0.97 0.54 1.03 -0.43 -1.24 -1.34 -1.85 115.58 113.26 2qng h ASN 83 Ca 0.26 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.30 2qng h ASN 83 Cb -0.06 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2qng h ASN 83 CO -0.05 0.28 -0.07 0.54 -1.29 0.00 0.00 177.43 176.84 2qng n ARG 84 N -4.52 0.06 -1.94 6.67 1.74 -0.36 -4.88 116.66 113.43 2qng n ARG 84 Ca 0.16 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 2qng n ARG 84 Cb 0.48 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 2qng n ARG 84 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qng s LEU 85 N -3.31 4.37 0.84 0.55 1.43 -0.70 -4.97 118.68 116.90 2qng s LEU 85 Ca 0.13 2.75 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 2qng s LEU 85 Cb 0.18 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.84 2qng s LEU 85 CO 0.56 -0.77 0.99 0.47 0.23 0.00 0.00 176.35 177.83 2qng n ASP 86 N 2.36 0.18 0.13 2.29 8.00 -1.26 -4.87 116.55 123.38 2qng n ASP 86 Ca 0.07 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.20 2qng n ASP 86 Cb 0.39 -1.42 0.49 0.00 -0.02 0.00 0.00 41.12 40.56 2qng n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qng n SER 87 N -2.77 0.56 0.16 -2.24 7.64 -1.26 -1.89 113.62 113.82 2qng n SER 87 Ca 0.12 0.68 0.13 0.00 1.01 0.00 0.00 58.87 60.81 2qng n SER 87 Cb 0.51 -0.78 0.45 0.00 -1.01 0.00 0.00 64.21 63.38 2qng n SER 87 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2qng h ARG 88 N 0.00 0.00 -5.38 1.43 0.11 -1.97 -3.42 114.38 105.15 2qng h ARG 88 Ca 0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 2qng h ARG 88 Cb 0.22 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.18 2qng h ARG 88 CO 0.00 0.00 -0.15 0.71 0.10 0.00 0.00 179.97 180.63 2qng s TYR 89 N -3.29 3.33 -0.29 4.08 2.02 -0.79 -0.16 117.35 122.24 2qng s TYR 89 Ca 0.06 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.43 2qng s TYR 89 Cb 0.10 -2.59 -0.08 0.00 -0.40 0.00 0.00 41.96 38.99 2qng s TYR 89 CO 0.53 -0.11 0.28 0.00 -1.57 0.00 0.00 175.55 174.67 2qng n ALA 90 N 4.86 2.84 -3.34 3.71 0.00 -0.44 -4.80 120.51 123.34 2qng n ALA 90 Ca -0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 2qng n ALA 90 Cb 0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 2qng n ALA 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qng s ARG 91 N -1.72 0.58 -0.04 0.00 3.52 -1.19 -0.93 118.95 119.18 2qng s ARG 91 Ca 0.02 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 2qng s ARG 91 Cb 0.05 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2qng s ARG 91 CO 0.28 -0.10 -0.09 0.08 -0.81 0.00 0.00 175.30 174.67 2qng s VAL 92 N -0.08 0.80 -0.07 7.11 1.01 -0.16 -0.73 120.40 128.27 2qng s VAL 92 Ca -0.03 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2qng s VAL 92 Cb -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2qng s VAL 92 CO 0.02 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 174.49 2qng s VAL 93 N 0.39 2.54 0.10 2.92 1.01 -0.30 -0.65 120.40 126.40 2qng s VAL 93 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2qng s VAL 93 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2qng s VAL 93 CO 0.01 0.57 -0.10 0.68 0.00 0.00 0.00 175.10 176.25 2qng s VAL 94 N -0.19 3.34 0.30 2.92 -7.23 -0.70 -0.94 120.40 117.89 2qng s VAL 94 Ca -0.01 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 58.78 2qng s VAL 94 Cb -0.13 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2qng s VAL 94 CO 0.03 0.14 0.57 -0.83 -0.31 0.00 0.00 175.10 174.70 2qng s GLY 95 N -2.13 0.59 -0.06 2.32 0.00 0.37 -0.76 107.32 107.66 2qng s GLY 95 Ca 0.21 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2qng s GLY 95 CO 0.13 -0.56 -0.03 0.14 0.00 0.00 0.00 173.10 172.78 2qng s VAL 96 N -3.52 0.53 0.06 1.40 1.01 0.11 -1.06 120.40 118.92 2qng s VAL 96 Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2qng s VAL 96 Cb -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2qng s VAL 96 CO 0.11 0.25 -0.03 0.68 0.00 0.00 0.00 175.10 176.11 2qng s VAL 97 N 1.31 3.88 -0.24 2.92 -7.23 -0.21 -0.85 120.40 119.96 2qng s VAL 97 Ca -0.05 -0.91 -0.10 0.00 -1.81 0.00 0.00 61.98 59.12 2qng s VAL 97 Cb -0.14 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 2qng s VAL 97 CO -0.02 0.23 0.15 -0.63 -0.31 0.00 0.00 175.10 174.51 2qng s ILE 98 N -1.19 5.19 0.36 -0.62 1.01 -0.35 -0.66 121.20 124.94 2qng s ILE 98 Ca 0.22 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 2qng s ILE 98 Cb -0.11 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 2qng s ILE 98 CO 0.14 0.34 1.44 -1.10 0.00 0.00 0.00 174.94 175.76 2qng s GLN 99 N 1.15 4.19 -0.00 2.79 -1.52 0.09 -4.68 119.66 121.67 2qng s GLN 99 Ca 0.07 2.46 0.04 0.00 -1.95 0.00 0.00 55.36 55.98 2qng s GLN 99 Cb -0.14 -3.00 -0.05 0.00 -0.22 0.00 0.00 33.01 29.60 2qng s GLN 99 CO 0.05 -0.44 0.17 1.04 -0.25 0.00 0.00 175.29 175.86 2qng n GLN 100 N 0.69 4.79 -0.31 2.91 1.13 -1.26 -4.77 117.38 120.55 2qng n GLN 100 Ca 0.01 -0.01 0.04 0.00 -1.94 0.00 0.00 57.00 55.11 2qng n GLN 100 Cb 0.40 -0.76 0.19 0.00 0.11 0.00 0.00 30.24 30.17 2qng n GLN 100 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2qng h ARG 101 N 0.00 0.82 0.00 -1.09 2.43 -2.00 -2.53 114.38 112.00 2qng h ARG 101 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2qng h ARG 101 Cb 0.12 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2qng h ARG 101 CO 0.00 0.54 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.15 2qng h ASP 102 N 0.84 0.00 -2.37 -3.80 3.32 -1.95 -3.47 116.42 109.00 2qng h ASP 102 Ca 0.42 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.65 2qng h ASP 102 Cb 0.40 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.63 2qng h ASP 102 CO -0.25 0.01 0.84 0.00 -1.72 0.00 0.00 179.24 178.11 2qng s ALA 103 N -3.26 -2.18 0.08 3.45 0.00 -0.95 -4.91 121.76 113.98 2qng s ALA 103 Ca 0.04 1.72 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 2qng s ALA 103 Cb 0.07 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 2qng s ALA 103 CO 0.72 -0.13 1.68 -1.58 0.00 0.00 0.00 175.76 176.45 2qng s HIS 104 N -0.05 2.40 -0.12 0.00 2.46 -1.26 -4.48 115.29 114.24 2qng s HIS 104 Ca 0.07 0.27 -0.06 0.00 0.47 0.00 0.00 55.06 55.81 2qng s HIS 104 Cb -0.05 -4.00 0.06 0.00 -0.13 0.00 0.00 32.58 28.46 2qng s HIS 104 CO -0.14 -4.04 0.28 0.50 -2.47 0.00 0.00 174.74 168.87 2qng s ARG 105 N 2.59 0.21 0.51 2.88 3.52 -1.26 -5.10 118.95 122.30 2qng s ARG 105 Ca 0.75 0.65 0.06 0.00 -0.13 0.00 0.00 55.73 57.07 2qng s ARG 105 Cb -0.41 -0.06 0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2qng s ARG 105 CO 0.33 -0.21 0.42 0.95 -0.81 0.00 0.00 175.30 175.98 2qng s THR 106 N 1.74 1.94 0.52 4.11 -4.23 -1.26 -4.59 115.64 113.86 2qng s THR 106 Ca -0.05 -1.43 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 2qng s THR 106 Cb -0.11 -2.37 0.30 0.00 1.34 0.00 0.00 72.50 71.67 2qng s THR 106 CO -0.09 0.00 2.11 -0.26 -0.54 0.00 0.00 174.62 175.84 2qng h PHE 107 N 0.80 0.00 0.00 3.99 0.04 -1.02 0.98 116.94 121.73 2qng h PHE 107 Ca -0.37 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.36 2qng h PHE 107 Cb 1.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 2qng h PHE 107 CO 0.82 0.00 -0.16 -0.24 -0.60 0.00 0.00 178.31 178.12 2qng h VAL 108 N 0.00 0.54 -0.08 -0.55 3.04 -1.44 -2.05 116.25 115.71 2qng h VAL 108 Ca 0.07 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2qng h VAL 108 Cb 0.26 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2qng h VAL 108 CO -0.00 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.33 2qng n GLY 109 N -0.33 -0.17 3.76 3.17 0.00 0.33 -4.77 105.19 107.17 2qng n GLY 109 Ca -0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2qng n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qng s VAL 110 N -1.91 5.42 -0.24 1.61 1.01 -0.77 -4.88 120.40 120.64 2qng s VAL 110 Ca 0.35 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 2qng s VAL 110 Cb 0.18 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2qng s VAL 110 CO 0.28 0.47 0.95 -0.22 0.00 0.00 0.00 175.10 176.58 2qng s LEU 111 N 0.11 4.09 -1.26 3.92 2.96 -1.26 -4.29 118.68 122.95 2qng s LEU 111 Ca 0.10 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.11 2qng s LEU 111 Cb -0.11 -3.38 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 2qng s LEU 111 CO -0.01 -0.61 0.64 0.59 -1.32 0.00 0.00 176.35 175.64 2qng n ASN 112 N 6.21 -2.93 -4.79 3.68 3.02 -1.26 -0.58 115.26 118.61 2qng n ASN 112 Ca 0.09 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.30 2qng n ASN 112 Cb 0.47 -3.28 -0.02 0.00 -0.61 0.00 0.00 39.78 36.33 2qng n ASN 112 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2qng s PRO 113 N -6.23 3.64 0.04 3.52 0.04 -1.26 -4.24 135.00 130.50 2qng s PRO 113 Ca 0.25 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 2qng s PRO 113 Cb -0.09 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2qng s PRO 113 CO 0.87 -0.59 0.51 0.20 0.04 0.00 0.00 177.00 178.03 2qng s GLY 114 N -1.89 -0.40 0.06 0.56 0.00 -0.05 -4.51 107.32 101.08 2qng s GLY 114 Ca 0.69 0.59 0.01 0.00 0.00 0.00 0.00 44.72 46.02 2qng s GLY 114 CO 0.23 0.30 -0.06 0.48 0.00 0.00 0.00 173.10 174.04 2qng s LEU 115 N -1.90 2.37 0.00 0.66 0.05 -0.17 -0.83 118.68 118.86 2qng s LEU 115 Ca -0.06 -0.76 0.01 0.00 0.05 0.00 0.00 54.13 53.37 2qng s LEU 115 Cb -0.01 -0.06 -0.00 0.00 -2.05 0.00 0.00 46.19 44.07 2qng s LEU 115 CO -0.01 -0.36 0.07 -1.14 -0.55 0.00 0.00 176.35 174.36 2qng n ARG 116 N 0.79 0.10 0.00 1.48 0.63 -0.15 -1.94 116.66 117.57 2qng n ARG 116 Ca -0.18 -0.67 0.00 0.00 -0.92 0.00 0.00 57.85 56.08 2qng n ARG 116 Cb 0.58 0.57 0.00 0.00 0.45 0.00 0.00 32.46 34.05 2qng n ARG 116 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qng n ARG 118 N -0.13 0.00 -3.93 -0.14 1.74 -0.36 -0.46 116.66 113.37 2qng n ARG 118 Ca 0.01 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 2qng n ARG 118 Cb 0.12 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.42 2qng n ARG 118 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2qng s GLU 119 N -1.94 2.82 7.09 5.56 2.12 0.10 -0.45 118.70 133.99 2qng s GLU 119 Ca 0.00 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.34 2qng s GLU 119 Cb 0.00 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2qng s GLU 119 CO 0.00 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 2qng n GLY 120 N 4.69 4.08 1.02 -1.50 0.00 -1.26 -0.62 105.19 111.61 2qng n GLY 120 Ca -0.16 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2qng n GLY 120 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qng n TYR 121 N 14.00 0.20 -2.92 1.61 4.01 -1.26 -4.90 117.16 127.90 2qng n TYR 121 Ca 0.00 -0.10 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 2qng n TYR 121 Cb 0.00 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 2qng n TYR 121 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2qng s THR 122 N -1.77 4.71 -0.05 -0.72 2.01 0.21 -5.01 115.64 115.03 2qng s THR 122 Ca 0.32 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 2qng s THR 122 Cb 0.21 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2qng s THR 122 CO 0.30 -0.41 1.26 -0.69 -0.69 0.00 0.00 174.62 174.39 2qng s VAL 123 N 3.15 4.10 -0.15 3.82 1.01 -1.26 -0.73 120.40 130.34 2qng s VAL 123 Ca 0.33 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.82 2qng s VAL 123 Cb -0.13 -3.92 -0.23 0.00 0.00 0.00 0.00 36.38 32.10 2qng s VAL 123 CO 0.16 -0.01 0.24 0.18 0.00 0.00 0.00 175.10 175.67 2qng n LEU 124 N 5.33 1.50 -3.56 3.92 4.77 -1.26 -4.96 117.00 122.75 2qng n LEU 124 Ca 0.12 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 2qng n LEU 124 Cb 0.45 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2qng n LEU 124 CO 0.56 0.65 0.46 0.00 -1.33 0.00 0.00 177.39 177.73 2qng s ALA 125 N -2.54 -1.79 0.01 -1.18 0.00 -1.26 -5.05 121.76 109.95 2qng s ALA 125 Ca -0.17 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 2qng s ALA 125 Cb 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2qng s ALA 125 CO 0.76 -0.36 -0.00 -1.21 0.00 0.00 0.00 175.76 174.96 2qng s GLU 126 N -0.72 0.22 0.06 0.00 2.02 -1.26 -4.33 118.70 114.69 2qng s GLU 126 Ca -0.07 -0.36 -0.21 0.00 0.02 0.00 0.00 54.97 54.34 2qng s GLU 126 Cb -0.02 0.08 0.05 0.00 0.10 0.00 0.00 34.13 34.34 2qng s GLU 126 CO 0.07 -0.04 0.50 0.34 0.02 0.00 0.00 175.26 176.15 2qng s ASP 127 N -0.92 -0.41 -0.05 -0.19 2.15 -0.82 -4.99 116.67 111.45 2qng s ASP 127 Ca -0.10 0.09 0.11 0.00 0.43 0.00 0.00 52.55 53.08 2qng s ASP 127 Cb -0.06 0.49 0.33 0.00 -0.30 0.00 0.00 42.92 43.38 2qng s ASP 127 CO -0.00 -0.74 1.27 -0.90 -0.17 0.00 0.00 175.17 174.62 2qng n ASP 128 N 0.30 3.06 -0.86 -0.34 5.68 -1.26 -1.00 116.55 122.13 2qng n ASP 128 Ca -0.18 -2.30 -0.11 0.00 -0.50 0.00 0.00 54.79 51.70 2qng n ASP 128 Cb 0.61 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 2qng n ASP 128 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2qng n PHE 129 N 0.08 0.00 0.39 2.11 3.72 -1.26 -4.67 117.46 117.83 2qng n PHE 129 Ca 0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.64 2qng n PHE 129 Cb 0.53 -2.37 0.45 0.00 -0.94 0.00 0.00 39.48 37.16 2qng n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qng n GLY 130 N -0.77 -1.17 0.24 1.37 0.00 -1.26 -1.71 105.19 101.89 2qng n GLY 130 Ca -0.11 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2qng n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qng n GLY 131 N -0.14 -0.62 2.50 -0.02 0.00 -1.26 -4.33 105.19 101.32 2qng n GLY 131 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2qng n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qng n VAL 132 N -0.72 1.79 0.26 1.61 0.24 -0.69 -4.90 118.33 115.92 2qng n VAL 132 Ca 0.10 -3.46 0.12 0.00 -2.04 0.00 0.00 64.34 59.06 2qng n VAL 132 Cb 0.37 0.29 0.72 0.00 -1.47 0.00 0.00 33.84 33.75 2qng n VAL 132 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qng h LEU 133 N 2.43 0.00 -1.42 1.34 3.38 -1.75 -1.59 115.31 117.72 2qng h LEU 133 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qng h LEU 133 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qng h LEU 133 CO 0.42 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.68 2qng n GLY 134 N -0.75 0.62 3.92 0.83 0.00 -1.26 -1.18 105.19 107.37 2qng n GLY 134 Ca -0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2qng n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qng s SER 135 N -1.63 6.38 0.00 1.61 0.01 -0.60 -4.82 113.70 114.65 2qng s SER 135 Ca 0.34 0.55 0.22 0.00 1.31 0.00 0.00 55.95 58.37 2qng s SER 135 Cb 0.19 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.24 2qng s SER 135 CO 0.28 -0.19 0.99 0.35 0.41 0.00 0.00 173.24 175.09 2qng n THR 136 N -1.14 0.00 -3.45 1.44 -2.24 -0.50 -1.34 114.28 107.05 2qng n THR 136 Ca -0.03 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 2qng n THR 136 Cb 0.55 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 2qng n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qng s ALA 137 N -2.90 -1.56 -0.16 6.98 0.00 -1.11 -1.21 121.76 121.80 2qng s ALA 137 Ca 0.10 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2qng s ALA 137 Cb 0.17 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.21 2qng s ALA 137 CO 0.80 -0.78 0.43 0.00 0.00 0.00 0.00 175.76 176.21 2qng s ALA 138 N -3.76 -1.07 0.34 0.00 0.00 -0.03 -0.73 121.76 116.50 2qng s ALA 138 Ca 0.02 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 2qng s ALA 138 Cb -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 2qng s ALA 138 CO -0.12 -0.21 0.95 0.95 0.00 0.00 0.00 175.76 177.34 2qng s THR 139 N 0.22 4.19 0.00 0.00 -4.23 -0.36 -0.72 115.64 114.74 2qng s THR 139 Ca -0.00 1.77 0.00 0.00 -1.18 0.00 0.00 61.69 62.27 2qng s THR 139 Cb -0.03 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2qng s THR 139 CO 0.01 0.09 0.80 1.33 -0.54 0.00 0.00 174.62 176.31 2qng n VAL 140 N 0.42 0.63 0.00 2.29 0.24 0.06 -1.07 118.33 120.90 2qng n VAL 140 Ca 0.03 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2qng n VAL 140 Cb 0.50 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2qng n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qng n GLY 141 N -0.31 2.84 3.11 7.63 0.00 -1.18 -4.51 105.19 112.77 2qng n GLY 141 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2qng n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qng s GLU 142 N -2.00 0.53 -0.05 1.61 2.02 -1.10 -1.71 118.70 118.00 2qng s GLU 142 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.48 2qng s GLU 142 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.46 2qng s GLU 142 CO 0.00 -0.13 -0.12 -0.06 0.02 0.00 0.00 175.26 174.97 2qng s PHE 143 N -1.87 1.35 -0.04 1.61 0.08 0.17 -0.73 117.98 118.55 2qng s PHE 143 Ca -0.11 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.53 2qng s PHE 143 Cb -0.05 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 2qng s PHE 143 CO -0.01 -0.22 -0.14 0.08 -0.10 0.00 0.00 175.22 174.83 2qng s VAL 144 N 0.51 1.20 -0.18 -0.44 1.01 -0.22 -0.99 120.40 121.29 2qng s VAL 144 Ca -0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2qng s VAL 144 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2qng s VAL 144 CO 0.03 0.35 0.01 -0.60 0.00 0.00 0.00 175.10 174.90 2qng s ARG 145 N 0.17 3.79 0.63 2.72 3.52 -0.10 -0.50 118.95 129.18 2qng s ARG 145 Ca -0.05 -0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2qng s ARG 145 Cb -0.11 -3.08 0.13 0.00 -1.56 0.00 0.00 34.95 30.32 2qng s ARG 145 CO 0.02 0.20 0.87 -0.40 -0.81 0.00 0.00 175.30 175.18 2qng n ASP 146 N 3.71 1.15 0.29 -2.12 5.68 -1.04 -4.90 116.55 119.32 2qng n ASP 146 Ca -0.17 -1.97 0.16 0.00 -0.50 0.00 0.00 54.79 52.31 2qng n ASP 146 Cb 0.52 -0.57 0.91 0.00 -1.14 0.00 0.00 41.12 40.85 2qng n ASP 146 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2qng h ASP 147 N -0.54 0.00 0.98 -1.12 3.58 -1.99 -0.90 116.42 116.43 2qng h ASP 147 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2qng h ASP 147 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2qng h ASP 147 CO 0.31 0.04 0.00 -1.54 -2.88 0.00 0.00 179.24 175.16 2qng n SER 148 N -3.60 0.55 0.00 2.28 3.41 -1.26 -4.90 113.62 110.10 2qng n SER 148 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2qng n SER 148 Cb 0.14 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2qng n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qng n GLY 149 N 0.62 0.74 3.75 5.00 0.00 -0.34 -5.05 105.19 109.91 2qng n GLY 149 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2qng n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qng s GLU 150 N -0.54 4.33 -0.03 1.61 0.41 -1.26 -4.83 118.70 118.38 2qng s GLU 150 Ca 0.00 0.70 -0.24 0.00 -0.41 0.00 0.00 54.97 55.02 2qng s GLU 150 Cb 0.00 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 28.94 2qng s GLU 150 CO 0.00 0.29 0.74 -1.58 -0.49 0.00 0.00 175.26 174.22 2qng s TRP 151 N 0.08 3.62 -0.11 1.61 0.52 -1.26 -2.50 118.94 120.90 2qng s TRP 151 Ca 0.31 1.34 -0.02 0.00 0.02 0.00 0.00 56.10 57.75 2qng s TRP 151 Cb -0.18 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 2qng s TRP 151 CO 0.16 0.12 -0.03 0.99 0.02 0.00 0.00 176.95 178.21 2qng s THR 152 N 0.61 4.00 -0.12 2.01 2.01 0.35 -0.28 115.64 124.23 2qng s THR 152 Ca 0.39 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 2qng s THR 152 Cb -0.19 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 2qng s THR 152 CO 0.20 0.55 0.49 0.12 -0.69 0.00 0.00 174.62 175.30 2qng s PHE 153 N -0.33 3.51 -0.39 4.92 5.36 -1.26 -1.05 117.98 128.75 2qng s PHE 153 Ca 0.06 0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 56.91 2qng s PHE 153 Cb -0.12 -2.57 0.10 0.00 -0.34 0.00 0.00 43.02 40.09 2qng s PHE 153 CO 0.02 0.16 0.16 -1.01 -1.46 0.00 0.00 175.22 173.09 2qng s HIS 154 N 0.65 3.55 0.66 10.12 3.76 0.09 -4.97 115.29 129.15 2qng s HIS 154 Ca 0.27 -2.36 -0.16 0.00 -0.15 0.00 0.00 55.06 52.66 2qng s HIS 154 Cb -0.15 -3.01 0.00 0.00 1.11 0.00 0.00 32.58 30.52 2qng s HIS 154 CO 0.11 -0.94 1.18 -1.25 -0.85 0.00 0.00 174.74 172.99 2qng s PRO 155 N 1.15 2.62 0.00 8.40 0.04 -1.26 -2.71 135.00 143.23 2qng s PRO 155 Ca 0.06 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qng s PRO 155 Cb -0.22 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2qng s PRO 155 CO -0.04 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2qng n GLY 156 N 0.20 3.71 3.43 0.56 0.00 -1.26 -4.95 105.19 106.88 2qng n GLY 156 Ca 0.13 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2qng n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qng s ILE 157 N -0.29 3.68 -0.09 -0.61 -1.09 -1.26 -3.08 121.20 118.45 2qng s ILE 157 Ca 0.00 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 2qng s ILE 157 Cb 0.00 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 2qng s ILE 157 CO 0.00 0.47 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.10 2qng s HIS 158 N 0.71 1.32 0.27 3.97 3.76 -0.23 -4.99 115.29 120.11 2qng s HIS 158 Ca -0.02 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.12 2qng s HIS 158 Cb -0.15 -1.08 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 2qng s HIS 158 CO 0.02 -0.39 0.76 0.20 -0.85 0.00 0.00 174.74 174.48 2qng s GLY 159 N 1.34 2.55 0.12 -2.22 0.00 -1.26 -1.22 107.32 106.62 2qng s GLY 159 Ca -0.02 0.18 0.06 0.00 0.00 0.00 0.00 44.72 44.94 2qng s GLY 159 CO -0.04 0.50 -0.15 -0.19 0.00 0.00 0.00 173.10 173.23 2qng s TYR 160 N -1.69 1.44 -1.16 1.90 2.02 0.09 -4.96 117.35 114.99 2qng s TYR 160 Ca 0.48 -0.53 0.17 0.00 -0.37 0.00 0.00 57.07 56.82 2qng s TYR 160 Cb -0.15 -0.76 0.59 0.00 -0.40 0.00 0.00 41.96 41.25 2qng s TYR 160 CO 0.20 0.16 1.50 -0.25 -1.57 0.00 0.00 175.55 175.59 2qng n ASP 161 N 0.59 4.08 -4.97 2.29 8.00 -1.26 -1.41 116.55 123.86 2qng n ASP 161 Ca -0.16 -2.31 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 2qng n ASP 161 Cb 0.57 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2qng n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qng s SER 162 N -1.06 6.07 0.80 -2.24 1.04 -1.26 -4.77 113.70 112.27 2qng s SER 162 Ca 0.43 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 2qng s SER 162 Cb 0.27 -1.59 0.09 0.00 0.10 0.00 0.00 66.02 64.88 2qng s SER 162 CO 0.23 -0.40 1.16 1.51 0.98 0.00 0.00 173.24 176.71 2qng s ASP 163 N -4.12 4.42 0.21 7.02 1.47 -1.26 -4.39 116.67 120.01 2qng s ASP 163 Ca 0.43 0.64 -0.09 0.00 1.18 0.00 0.00 52.55 54.70 2qng s ASP 163 Cb -0.10 -1.12 0.22 0.00 -0.34 0.00 0.00 42.92 41.59 2qng s ASP 163 CO 0.33 -1.93 1.82 -0.65 0.68 0.00 0.00 175.17 175.43 2qng h PRO 164 N -1.02 0.73 -0.64 2.11 0.11 -1.93 -0.61 132.00 130.76 2qng h PRO 164 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2qng h PRO 164 Cb 1.32 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2qng h PRO 164 CO 0.61 0.48 0.10 0.00 -0.21 0.00 0.00 178.00 178.99 2qng h ALA 165 N 1.33 0.85 -0.20 -0.75 0.00 -2.00 -1.86 119.26 116.63 2qng h ALA 165 Ca 0.29 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2qng h ALA 165 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qng h ALA 165 CO -0.15 0.61 -0.15 1.15 0.00 0.00 0.00 179.25 180.71 2qng h THR 166 N 0.97 1.32 -0.69 0.00 2.02 -1.89 -3.15 112.91 111.49 2qng h THR 166 Ca 0.19 -1.27 0.11 0.00 0.77 0.00 0.00 66.41 66.22 2qng h THR 166 Cb 0.43 1.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 2qng h THR 166 CO 0.01 0.38 0.29 0.15 0.37 0.00 0.00 175.52 176.73 2qng h PHE 167 N 0.13 0.51 -0.03 3.16 3.57 -0.96 -0.64 116.94 122.67 2qng h PHE 167 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2qng h PHE 167 Cb 0.67 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2qng h PHE 167 CO 0.07 0.13 0.03 0.00 -2.23 0.00 0.00 178.31 176.31 2qng h ALA 168 N 1.46 1.67 0.00 2.41 0.00 -1.30 -2.01 119.26 121.50 2qng h ALA 168 Ca 0.36 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 2qng h ALA 168 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2qng h ALA 168 CO -0.33 -0.04 -1.21 0.00 0.00 0.00 0.00 179.25 177.67 2qng h ARG 169 N 0.00 0.00 -2.99 0.00 2.47 -1.14 -3.46 114.38 109.26 2qng h ARG 169 Ca 0.01 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 58.03 2qng h ARG 169 Cb 0.06 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.03 2qng h ARG 169 CO -0.00 0.43 -0.01 1.33 0.56 0.00 0.00 179.97 182.28 2qng n VAL 170 N -3.03 3.38 0.00 2.04 0.24 -0.76 -4.70 118.33 115.50 2qng n VAL 170 Ca -0.07 -5.31 0.00 0.00 -2.04 0.00 0.00 64.34 56.92 2qng n VAL 170 Cb 0.86 -2.26 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 2qng n VAL 170 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qng n GLY 172 N 1.78 0.00 3.73 7.63 0.00 -1.26 -4.95 105.19 112.12 2qng n GLY 172 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2qng n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qng n GLY 173 N 0.35 0.80 3.76 -0.02 0.00 -1.26 -4.51 105.19 104.32 2qng n GLY 173 Ca 0.00 0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 2qng n GLY 173 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qng s ARG 174 N -2.00 3.49 0.00 1.61 3.52 -1.26 -5.09 118.95 119.22 2qng s ARG 174 Ca 0.55 2.00 0.04 0.00 -0.13 0.00 0.00 55.73 58.20 2qng s ARG 174 Cb -0.53 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2qng s ARG 174 CO 0.62 -0.84 0.64 1.04 -0.81 0.00 0.00 175.30 175.95