#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf7 s PRO 2 N 0.00 3.87 0.09 1.61 0.04 -1.26 -4.95 135.00 134.39 2qf7 s PRO 2 Ca 0.00 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2qf7 s PRO 2 Cb 0.00 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2qf7 s PRO 2 CO 0.00 -0.38 1.83 0.42 0.04 0.00 0.00 177.00 178.90 2qf7 s ILE 3 N -1.88 2.78 0.00 0.56 1.01 -1.26 -4.86 121.20 117.55 2qf7 s ILE 3 Ca 0.65 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2qf7 s ILE 3 Cb -0.18 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2qf7 s ILE 3 CO 0.22 -0.00 0.00 -1.54 0.00 0.00 0.00 174.94 173.62 2qf7 n SER 4 N 6.17 1.51 -3.69 3.58 3.41 -1.26 -4.91 113.62 118.42 2qf7 n SER 4 Ca 0.18 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.39 2qf7 n SER 4 Cb 0.39 0.80 -0.15 0.00 -0.26 0.00 0.00 64.21 64.99 2qf7 n SER 4 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qf7 s LYS 5 N -1.10 0.06 -0.14 4.33 2.20 -1.26 -1.27 119.74 122.57 2qf7 s LYS 5 Ca 0.00 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.13 2qf7 s LYS 5 Cb 0.00 -0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2qf7 s LYS 5 CO 0.00 -0.26 -0.16 0.42 -0.36 0.00 0.00 175.35 175.00 2qf7 s ILE 6 N 1.91 2.68 -0.07 5.43 1.01 -0.04 -0.90 121.20 131.22 2qf7 s ILE 6 Ca -0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 2qf7 s ILE 6 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2qf7 s ILE 6 CO -0.06 0.52 0.66 -0.22 0.00 0.00 0.00 174.94 175.84 2qf7 s LEU 7 N 0.67 4.32 -0.37 2.97 0.20 -0.17 -0.94 118.68 125.36 2qf7 s LEU 7 Ca -0.08 1.14 -0.16 0.00 0.69 0.00 0.00 54.13 55.72 2qf7 s LEU 7 Cb -0.16 -3.01 0.00 0.00 -0.43 0.00 0.00 46.19 42.59 2qf7 s LEU 7 CO 0.02 -0.07 0.40 -0.69 -0.29 0.00 0.00 176.35 175.71 2qf7 s VAL 8 N 0.66 5.13 -1.42 1.68 1.01 -0.56 -1.22 120.40 125.68 2qf7 s VAL 8 Ca 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2qf7 s VAL 8 Cb -0.17 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2qf7 s VAL 8 CO 0.17 -0.23 2.47 0.00 0.00 0.00 0.00 175.10 177.51 2qf7 n ALA 9 N 5.48 6.74 -3.00 5.51 0.00 -0.16 -4.12 120.51 130.96 2qf7 n ALA 9 Ca -0.08 -3.94 0.00 0.00 0.00 0.00 0.00 53.44 49.42 2qf7 n ALA 9 Cb 0.48 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2qf7 n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qf7 n ASN 10 N 2.91 0.00 -3.81 0.00 2.85 -1.26 -4.67 115.26 111.27 2qf7 n ASN 10 Ca 0.63 -0.59 -0.10 0.00 -0.11 0.00 0.00 54.58 54.42 2qf7 n ASN 10 Cb 0.27 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.24 2qf7 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qf7 s ARG 11 N -0.76 1.66 4.32 1.20 1.70 -1.26 -4.58 118.95 121.22 2qf7 s ARG 11 Ca 0.00 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 2qf7 s ARG 11 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2qf7 s ARG 11 CO 0.00 -0.70 0.00 0.45 -1.08 0.00 0.00 175.30 173.97 2qf7 n SER 12 N -0.60 0.00 -0.16 -2.89 2.88 -1.26 -2.95 113.62 108.64 2qf7 n SER 12 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.50 2qf7 n SER 12 Cb 0.62 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.26 2qf7 n SER 12 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2qf7 h GLU 13 N 0.00 0.89 -0.17 -1.46 -0.00 -1.93 -2.29 114.58 109.62 2qf7 h GLU 13 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 59.36 59.05 2qf7 h GLU 13 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 28.60 2qf7 h GLU 13 CO 0.00 0.76 -0.54 0.97 -0.00 0.00 0.00 179.01 180.20 2qf7 h ILE 14 N 0.87 1.33 -0.29 -1.06 6.09 -1.91 0.59 117.51 123.14 2qf7 h ILE 14 Ca 0.20 -1.79 -0.00 0.00 -1.37 0.00 0.00 64.86 61.89 2qf7 h ILE 14 Cb 0.23 1.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 2qf7 h ILE 14 CO -0.01 0.55 0.16 0.00 -3.07 0.00 0.00 178.15 175.78 2qf7 h ALA 15 N 1.03 0.37 -0.69 0.18 0.00 -1.35 -1.90 119.26 116.90 2qf7 h ALA 15 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qf7 h ALA 15 Cb 1.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2qf7 h ALA 15 CO 0.10 -0.11 0.33 0.82 0.00 0.00 0.00 179.25 180.39 2qf7 h ILE 16 N 0.35 1.22 -0.28 0.00 2.04 -1.10 -1.08 117.51 118.67 2qf7 h ILE 16 Ca 0.10 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.38 2qf7 h ILE 16 Cb 0.05 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 2qf7 h ILE 16 CO -0.02 0.26 0.02 -0.09 0.00 0.00 0.00 178.15 178.33 2qf7 h ARG 17 N 0.98 0.11 -0.53 2.37 9.65 -0.68 -2.47 114.38 123.81 2qf7 h ARG 17 Ca 0.24 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.04 2qf7 h ARG 17 Cb 0.10 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2qf7 h ARG 17 CO -0.03 0.07 0.05 0.28 2.80 0.00 0.00 179.97 183.14 2qf7 h VAL 18 N 0.11 1.26 -0.92 0.20 2.07 -0.89 -2.90 116.25 115.18 2qf7 h VAL 18 Ca 0.13 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.73 2qf7 h VAL 18 Cb 0.16 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 2qf7 h VAL 18 CO -0.20 0.36 0.56 -0.26 0.02 0.00 0.00 177.57 178.05 2qf7 h PHE 19 N 0.78 1.02 0.26 1.57 0.04 -1.16 -0.01 116.94 119.44 2qf7 h PHE 19 Ca 0.16 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2qf7 h PHE 19 Cb 0.46 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2qf7 h PHE 19 CO 0.03 0.44 -0.12 0.00 -0.60 0.00 0.00 178.31 178.06 2qf7 h ARG 20 N 0.93 -0.34 -0.42 1.51 3.08 -1.38 -0.56 114.38 117.21 2qf7 h ARG 20 Ca 0.44 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.57 2qf7 h ARG 20 Cb 0.37 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2qf7 h ARG 20 CO -0.24 -0.12 0.12 0.00 -1.07 0.00 0.00 179.97 178.66 2qf7 h ALA 21 N 0.20 0.48 -0.26 0.04 0.00 -1.25 -0.16 119.26 118.31 2qf7 h ALA 21 Ca -0.04 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qf7 h ALA 21 Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qf7 h ALA 21 CO 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.01 2qf7 h ALA 22 N 1.29 0.35 -0.45 0.00 0.00 -0.98 -2.06 119.26 117.42 2qf7 h ALA 22 Ca 0.20 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2qf7 h ALA 22 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qf7 h ALA 22 CO -0.23 0.11 -0.19 -0.91 0.00 0.00 0.00 179.25 178.03 2qf7 h ASN 23 N 0.24 0.91 -0.54 0.00 2.35 -0.91 0.05 115.58 117.68 2qf7 h ASN 23 Ca 0.07 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2qf7 h ASN 23 Cb 0.46 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2qf7 h ASN 23 CO 0.02 1.07 0.36 -0.33 -1.65 0.00 0.00 177.43 176.90 2qf7 h GLU 24 N 0.78 0.42 -0.04 0.81 5.08 -0.83 0.87 114.58 121.67 2qf7 h GLU 24 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qf7 h GLU 24 Cb 0.73 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2qf7 h GLU 24 CO 0.06 0.28 0.00 1.28 -1.00 0.00 0.00 179.01 179.63 2qf7 n LEU 25 N -4.47 0.33 -0.39 1.33 4.77 -0.74 -4.89 117.00 112.94 2qf7 n LEU 25 Ca 0.08 -0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 2qf7 n LEU 25 Cb 0.29 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2qf7 n LEU 25 CO 0.34 0.07 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 2qf7 n GLY 26 N 0.80 0.65 3.67 -0.72 0.00 0.30 -5.02 105.19 104.88 2qf7 n GLY 26 Ca 0.12 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2qf7 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf7 s ILE 27 N -2.18 4.80 0.54 -0.61 1.01 -0.07 -5.00 121.20 119.69 2qf7 s ILE 27 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.41 2qf7 s ILE 27 Cb 0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 2qf7 s ILE 27 CO 0.00 0.51 1.19 -0.54 0.00 0.00 0.00 174.94 176.10 2qf7 s LYS 28 N -0.02 3.32 0.21 2.79 1.02 -0.39 -3.68 119.74 122.99 2qf7 s LYS 28 Ca 0.06 1.80 0.11 0.00 0.02 0.00 0.00 55.97 57.96 2qf7 s LYS 28 Cb -0.12 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2qf7 s LYS 28 CO 0.01 -0.92 -0.22 0.95 -0.92 0.00 0.00 175.35 174.25 2qf7 s THR 29 N -1.60 2.42 -0.08 2.17 -4.23 -1.26 -0.86 115.64 112.20 2qf7 s THR 29 Ca 0.72 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2qf7 s THR 29 Cb -0.29 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.38 2qf7 s THR 29 CO 0.33 -0.18 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.45 2qf7 s VAL 30 N -1.85 0.99 0.10 2.29 1.01 -0.12 -2.46 120.40 120.37 2qf7 s VAL 30 Ca 0.23 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2qf7 s VAL 30 Cb -0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2qf7 s VAL 30 CO 0.11 0.34 0.37 0.00 0.00 0.00 0.00 175.10 175.92 2qf7 s ALA 31 N 1.09 3.77 0.09 5.51 0.00 0.08 -1.50 121.76 130.81 2qf7 s ALA 31 Ca -0.07 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.48 2qf7 s ALA 31 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2qf7 s ALA 31 CO -0.01 0.63 -0.22 0.96 0.00 0.00 0.00 175.76 177.12 2qf7 s ILE 32 N -1.52 2.57 -0.08 0.00 -4.36 -1.26 -1.05 121.20 115.50 2qf7 s ILE 32 Ca 0.37 -1.49 -0.06 0.00 -0.26 0.00 0.00 60.65 59.21 2qf7 s ILE 32 Cb -0.13 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.48 2qf7 s ILE 32 CO 0.21 0.19 0.20 -1.66 0.24 0.00 0.00 174.94 174.12 2qf7 s TRP 33 N -1.02 -0.22 0.47 1.37 1.48 -0.68 -4.84 118.94 115.50 2qf7 s TRP 33 Ca 0.15 0.54 -0.14 0.00 -1.06 0.00 0.00 56.10 55.59 2qf7 s TRP 33 Cb -0.10 0.06 -0.07 0.00 -1.16 0.00 0.00 33.47 32.20 2qf7 s TRP 33 CO 0.07 -0.12 0.90 0.00 -4.06 0.00 0.00 176.95 173.74 2qf7 s ALA 34 N 0.28 3.18 0.29 2.67 0.00 -1.26 -0.35 121.76 126.58 2qf7 s ALA 34 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2qf7 s ALA 34 Cb -0.03 -2.95 0.73 0.00 0.00 0.00 0.00 23.12 20.87 2qf7 s ALA 34 CO -0.01 -0.16 1.73 1.49 0.00 0.00 0.00 175.76 178.82 2qf7 h GLU 35 N 1.02 0.53 0.00 0.00 4.57 -1.94 0.64 114.58 119.40 2qf7 h GLU 35 Ca -0.47 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 2qf7 h GLU 35 Cb 1.19 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2qf7 h GLU 35 CO 0.62 0.35 -0.05 0.93 -1.18 0.00 0.00 179.01 179.69 2qf7 h GLU 36 N 0.55 0.00 -0.74 1.92 3.07 -1.94 -1.41 114.58 116.03 2qf7 h GLU 36 Ca 0.56 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.30 2qf7 h GLU 36 Cb 0.99 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.83 2qf7 h GLU 36 CO -0.46 0.05 0.15 -0.25 -1.40 0.00 0.00 179.01 177.10 2qf7 n ASP 37 N -3.46 4.68 0.27 1.42 8.00 0.22 -4.61 116.55 123.07 2qf7 n ASP 37 Ca -0.02 -2.95 0.11 0.00 0.71 0.00 0.00 54.79 52.64 2qf7 n ASP 37 Cb 0.16 -0.70 0.74 0.00 -0.02 0.00 0.00 41.12 41.30 2qf7 n ASP 37 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2qf7 h LYS 38 N 2.72 0.00 -0.44 -1.24 2.10 -1.10 -0.98 116.57 117.63 2qf7 h LYS 38 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2qf7 h LYS 38 Cb 2.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 2qf7 h LYS 38 CO 0.56 0.05 0.00 1.28 -2.00 0.00 0.00 179.45 179.35 2qf7 n LEU 39 N -4.10 3.44 -4.73 7.07 4.77 -1.26 -4.99 117.00 117.19 2qf7 n LEU 39 Ca -0.03 -1.64 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 2qf7 n LEU 39 Cb 0.14 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2qf7 n LEU 39 CO 0.31 0.78 1.01 0.00 -1.33 0.00 0.00 177.39 178.17 2qf7 s ALA 40 N -1.28 3.55 0.45 -1.18 0.00 -0.37 -4.93 121.76 117.99 2qf7 s ALA 40 Ca 0.38 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.56 2qf7 s ALA 40 Cb 0.21 -3.50 1.01 0.00 0.00 0.00 0.00 23.12 20.84 2qf7 s ALA 40 CO 0.29 -0.57 2.06 -0.07 0.00 0.00 0.00 175.76 177.47 2qf7 h LEU 41 N 5.92 0.22 -2.00 0.00 3.38 -1.85 -1.59 115.31 119.39 2qf7 h LEU 41 Ca -0.44 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 57.65 2qf7 h LEU 41 Cb 1.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2qf7 h LEU 41 CO 0.81 0.21 0.34 1.12 0.09 0.00 0.00 178.44 181.01 2qf7 h HIS 42 N 0.25 0.00 -0.14 1.13 2.07 -1.87 -0.84 115.15 115.75 2qf7 h HIS 42 Ca 0.06 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.54 2qf7 h HIS 42 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 2qf7 h HIS 42 CO 0.00 0.00 -0.12 -0.09 -3.07 0.00 0.00 177.93 174.65 2qf7 h ARG 43 N 0.00 0.22 -0.02 5.12 2.43 -1.62 -2.74 114.38 117.77 2qf7 h ARG 43 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2qf7 h ARG 43 Cb 0.90 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2qf7 h ARG 43 CO -0.00 0.35 -0.06 1.19 -1.51 0.00 0.00 179.97 179.93 2qf7 n PHE 44 N -4.29 0.00 0.87 2.20 3.72 -0.35 -4.21 117.46 115.41 2qf7 n PHE 44 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 2qf7 n PHE 44 Cb 0.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 2qf7 n PHE 44 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qf7 n LYS 45 N 0.91 1.29 -2.73 -1.08 5.02 -1.03 -4.93 118.16 115.61 2qf7 n LYS 45 Ca 0.14 -0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 55.53 2qf7 n LYS 45 Cb 0.53 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 2qf7 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qf7 s ALA 46 N -2.35 3.83 -0.70 7.82 0.00 -1.24 -4.98 121.76 124.14 2qf7 s ALA 46 Ca 0.14 -1.23 0.25 0.00 0.00 0.00 0.00 51.96 51.13 2qf7 s ALA 46 Cb 0.15 -2.12 0.88 0.00 0.00 0.00 0.00 23.12 22.04 2qf7 s ALA 46 CO 0.56 -0.65 1.76 -0.25 0.00 0.00 0.00 175.76 177.19 2qf7 n ASP 47 N -2.28 0.69 -3.55 0.00 8.00 -1.03 -4.87 116.55 113.51 2qf7 n ASP 47 Ca 0.06 0.59 -0.14 0.00 0.71 0.00 0.00 54.79 56.01 2qf7 n ASP 47 Cb 0.59 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2qf7 n ASP 47 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2qf7 s GLU 48 N -3.15 0.80 -0.05 -1.24 2.12 -1.14 -4.98 118.70 111.07 2qf7 s GLU 48 Ca 0.09 0.22 -0.18 0.00 0.36 0.00 0.00 54.97 55.46 2qf7 s GLU 48 Cb 0.12 0.38 0.04 0.00 0.26 0.00 0.00 34.13 34.92 2qf7 s GLU 48 CO 0.53 -0.24 0.41 -1.54 -0.54 0.00 0.00 175.26 173.88 2qf7 s SER 49 N -1.09 -0.34 0.00 -1.70 1.04 -1.26 -0.74 113.70 109.62 2qf7 s SER 49 Ca -0.06 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.76 2qf7 s SER 49 Cb -0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 2qf7 s SER 49 CO 0.05 -0.43 -0.07 -0.31 0.98 0.00 0.00 173.24 173.47 2qf7 s TYR 50 N -1.01 0.63 0.31 5.02 2.02 -0.21 -4.96 117.35 119.15 2qf7 s TYR 50 Ca -0.10 -0.17 -0.28 0.00 -0.37 0.00 0.00 57.07 56.14 2qf7 s TYR 50 Cb -0.04 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 41.03 2qf7 s TYR 50 CO 0.05 -0.02 1.06 -1.14 -1.57 0.00 0.00 175.55 173.94 2qf7 s GLN 51 N -0.37 4.55 0.08 -0.62 0.74 -1.26 -1.69 119.66 121.09 2qf7 s GLN 51 Ca 0.01 1.68 0.09 0.00 0.05 0.00 0.00 55.36 57.20 2qf7 s GLN 51 Cb -0.04 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 2qf7 s GLN 51 CO -0.00 0.16 -0.23 0.14 -0.55 0.00 0.00 175.29 174.81 2qf7 s VAL 52 N -1.30 2.46 0.00 1.34 -7.23 0.53 -4.84 120.40 111.36 2qf7 s VAL 52 Ca 0.47 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2qf7 s VAL 52 Cb -0.28 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2qf7 s VAL 52 CO 0.36 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2qf7 n GLY 53 N 1.26 0.75 3.29 2.32 0.00 -1.26 -4.30 105.19 107.26 2qf7 n GLY 53 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 2qf7 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf7 s ARG 54 N -0.48 1.34 0.00 1.61 1.81 -1.26 -0.70 118.95 121.26 2qf7 s ARG 54 Ca 0.00 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 52.30 2qf7 s ARG 54 Cb 0.00 -0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.28 2qf7 s ARG 54 CO 0.00 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 2qf7 n GLY 55 N -0.41 2.84 0.16 -3.53 0.00 -1.26 -4.83 105.19 98.17 2qf7 n GLY 55 Ca -0.01 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.18 2qf7 n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qf7 h PRO 56 N 0.00 0.00 0.00 1.61 0.11 -2.01 -2.42 132.00 129.29 2qf7 h PRO 56 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2qf7 h PRO 56 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2qf7 h PRO 56 CO 0.00 0.00 -0.20 1.12 -0.21 0.00 0.00 178.00 178.71 2qf7 h HIS 57 N 0.00 0.00 -3.27 0.65 2.07 -2.02 -3.43 115.15 109.15 2qf7 h HIS 57 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2qf7 h HIS 57 Cb 0.41 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.36 2qf7 h HIS 57 CO 0.00 0.20 -0.21 -0.51 -3.07 0.00 0.00 177.93 174.33 2qf7 s LEU 58 N -7.06 4.24 0.24 6.12 1.43 -0.91 -5.02 118.68 117.73 2qf7 s LEU 58 Ca -0.01 0.77 0.09 0.00 -1.03 0.00 0.00 54.13 53.96 2qf7 s LEU 58 Cb 0.12 -3.41 0.23 0.00 0.03 0.00 0.00 46.19 43.16 2qf7 s LEU 58 CO 0.62 0.02 1.54 0.00 0.23 0.00 0.00 176.35 178.76 2qf7 h ALA 59 N 2.88 0.84 -2.52 4.21 0.00 -1.85 -3.46 119.26 119.36 2qf7 h ALA 59 Ca -0.47 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 53.69 2qf7 h ALA 59 Cb 1.17 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 2qf7 h ALA 59 CO 0.70 0.87 -0.28 -0.98 0.00 0.00 0.00 179.25 179.56 2qf7 s ARG 60 N -3.43 0.69 0.50 0.00 1.70 -1.26 -5.14 118.95 112.02 2qf7 s ARG 60 Ca -0.01 -0.26 -0.23 0.00 -0.47 0.00 0.00 55.73 54.77 2qf7 s ARG 60 Cb 0.12 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 2qf7 s ARG 60 CO 0.78 -0.20 1.29 -0.25 -1.08 0.00 0.00 175.30 175.84 2qf7 n ASP 61 N 1.15 2.46 -4.91 -2.89 8.00 -1.26 -4.90 116.55 114.19 2qf7 n ASP 61 Ca -0.21 1.01 -0.27 0.00 0.71 0.00 0.00 54.79 56.03 2qf7 n ASP 61 Cb 0.57 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.12 2qf7 n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qf7 s LEU 62 N -2.61 3.84 1.04 0.64 1.43 0.12 -5.04 118.68 118.10 2qf7 s LEU 62 Ca 0.68 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 2qf7 s LEU 62 Cb -0.45 -3.68 0.21 0.00 0.03 0.00 0.00 46.19 42.30 2qf7 s LEU 62 CO 0.53 -0.41 1.08 -0.83 0.23 0.00 0.00 176.35 176.94 2qf7 s GLY 63 N -3.79 1.56 0.36 -3.19 0.00 -1.26 -4.70 107.32 96.30 2qf7 s GLY 63 Ca 0.45 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.92 2qf7 s GLY 63 CO 0.38 0.35 2.02 -0.56 0.00 0.00 0.00 173.10 175.29 2qf7 h PRO 64 N -2.07 0.81 0.06 2.90 0.13 -1.98 -0.53 132.00 131.31 2qf7 h PRO 64 Ca -0.56 -0.05 -0.38 0.00 -0.87 0.00 0.00 66.00 64.14 2qf7 h PRO 64 Cb 1.33 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2qf7 h PRO 64 CO 0.55 0.53 -2.24 -0.89 -0.23 0.00 0.00 178.00 175.73 2qf7 n ILE 65 N -4.44 1.63 -0.32 -3.56 5.41 -1.26 -4.21 119.36 112.61 2qf7 n ILE 65 Ca 0.06 -0.61 0.16 0.00 1.00 0.00 0.00 62.75 63.36 2qf7 n ILE 65 Cb 0.04 -1.58 0.35 0.00 -0.71 0.00 0.00 39.64 37.74 2qf7 n ILE 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2qf7 h GLU 66 N 0.02 0.43 -0.72 0.38 4.81 -1.90 -0.74 114.58 116.85 2qf7 h GLU 66 Ca -0.50 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.80 2qf7 h GLU 66 Cb 1.96 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 31.17 2qf7 h GLU 66 CO -0.01 0.28 0.35 0.77 -0.73 0.00 0.00 179.01 179.68 2qf7 h SER 67 N 0.44 0.45 1.69 1.04 0.02 -1.26 -1.56 113.55 114.36 2qf7 h SER 67 Ca 0.61 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.61 2qf7 h SER 67 Cb 1.19 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2qf7 h SER 67 CO -0.53 0.24 -0.07 1.88 -1.14 0.00 0.00 176.83 177.22 2qf7 h TYR 68 N 0.59 0.00 -0.00 3.45 0.05 -1.35 -3.13 116.97 116.56 2qf7 h TYR 68 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2qf7 h TYR 68 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2qf7 h TYR 68 CO -0.11 0.07 -0.42 1.28 -1.05 0.00 0.00 178.16 177.93 2qf7 n LEU 69 N -3.13 0.79 -4.56 3.88 4.77 -0.79 -4.75 117.00 113.20 2qf7 n LEU 69 Ca 0.03 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 2qf7 n LEU 69 Cb 0.50 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2qf7 n LEU 69 CO 0.33 0.17 1.50 -0.55 -1.33 0.00 0.00 177.39 177.51 2qf7 s SER 70 N -2.77 5.60 0.19 -1.43 0.15 -0.65 -4.84 113.70 109.95 2qf7 s SER 70 Ca 0.17 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 2qf7 s SER 70 Cb 0.18 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 62.14 2qf7 s SER 70 CO 0.63 -2.09 1.81 0.40 1.20 0.00 0.00 173.24 175.18 2qf7 h ILE 71 N 6.73 0.99 -0.55 6.45 2.04 -1.90 -1.63 117.51 129.64 2qf7 h ILE 71 Ca -0.28 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.44 2qf7 h ILE 71 Cb 1.14 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2qf7 h ILE 71 CO 1.18 0.11 0.22 0.44 0.00 0.00 0.00 178.15 180.11 2qf7 h ASP 72 N 0.63 0.26 -0.37 1.72 3.32 -1.98 -0.83 116.42 119.18 2qf7 h ASP 72 Ca 0.26 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2qf7 h ASP 72 Cb 0.12 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2qf7 h ASP 72 CO -0.15 0.17 0.15 -0.33 -1.72 0.00 0.00 179.24 177.36 2qf7 h GLU 73 N 0.43 0.55 0.19 3.56 4.39 -1.79 -1.21 114.58 120.69 2qf7 h GLU 73 Ca 0.26 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2qf7 h GLU 73 Cb 0.26 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2qf7 h GLU 73 CO -0.24 0.53 -0.09 0.28 -1.16 0.00 0.00 179.01 178.32 2qf7 h VAL 74 N 0.45 0.82 -0.42 3.13 2.07 -0.95 -2.18 116.25 119.16 2qf7 h VAL 74 Ca 0.12 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2qf7 h VAL 74 Cb 0.18 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2qf7 h VAL 74 CO -0.01 0.01 0.22 0.40 0.02 0.00 0.00 177.57 178.21 2qf7 h ILE 75 N -0.28 0.99 -0.33 4.57 1.08 -1.19 -0.68 117.51 121.67 2qf7 h ILE 75 Ca -0.03 -0.15 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 2qf7 h ILE 75 Cb 0.22 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 34.40 2qf7 h ILE 75 CO 0.04 0.08 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.31 2qf7 h ARG 76 N 0.45 -0.14 -0.09 2.37 2.43 -1.10 0.32 114.38 118.63 2qf7 h ARG 76 Ca 0.18 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 2qf7 h ARG 76 Cb 0.06 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2qf7 h ARG 76 CO -0.11 -0.09 -0.54 -0.39 -1.51 0.00 0.00 179.97 177.33 2qf7 h VAL 77 N -0.14 1.36 -0.64 0.20 -1.51 -1.24 -1.47 116.25 112.81 2qf7 h VAL 77 Ca 0.17 -1.83 -0.00 0.00 -1.23 0.00 0.00 66.70 63.81 2qf7 h VAL 77 Cb 0.40 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 2qf7 h VAL 77 CO -0.42 0.54 0.38 0.00 -1.23 0.00 0.00 177.57 176.85 2qf7 h ALA 78 N 1.22 0.81 0.15 5.19 0.00 -0.57 -0.75 119.26 125.31 2qf7 h ALA 78 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qf7 h ALA 78 Cb 1.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2qf7 h ALA 78 CO 0.09 0.29 -0.07 0.87 0.00 0.00 0.00 179.25 180.42 2qf7 h LYS 79 N 0.86 -0.19 -0.65 0.00 1.57 -0.83 -2.07 116.57 115.26 2qf7 h LYS 79 Ca 0.23 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.15 2qf7 h LYS 79 Cb -0.02 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.23 2qf7 h LYS 79 CO -0.04 -0.04 0.12 -0.07 -0.57 0.00 0.00 179.45 178.84 2qf7 h LEU 80 N -0.30 -0.06 0.00 2.94 3.38 -1.11 -2.20 115.31 117.96 2qf7 h LEU 80 Ca -0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qf7 h LEU 80 Cb 0.24 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qf7 h LEU 80 CO 0.03 -0.03 -0.06 0.77 0.09 0.00 0.00 178.44 179.24 2qf7 h SER 81 N 0.23 0.00 -0.19 -0.43 4.64 -1.08 -3.47 113.55 113.25 2qf7 h SER 81 Ca 0.35 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.58 2qf7 h SER 81 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2qf7 h SER 81 CO -0.47 0.01 -0.07 0.61 -0.87 0.00 0.00 176.83 176.04 2qf7 n GLY 82 N 1.26 0.63 3.74 -0.77 0.00 -0.82 -4.99 105.19 104.24 2qf7 n GLY 82 Ca 0.05 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2qf7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 n ALA 83 N 0.93 2.28 0.09 4.61 0.00 -0.97 -4.86 120.51 122.59 2qf7 n ALA 83 Ca -0.04 0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.73 2qf7 n ALA 83 Cb 0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 2qf7 n ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qf7 h ASP 84 N 4.28 0.00 -5.07 0.00 3.32 -1.37 -3.47 116.42 114.11 2qf7 h ASP 84 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2qf7 h ASP 84 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 2qf7 h ASP 84 CO 0.75 0.83 -0.20 0.00 -1.72 0.00 0.00 179.24 178.90 2qf7 s ALA 85 N -2.96 -0.72 -0.11 3.45 0.00 -1.11 -1.32 121.76 118.99 2qf7 s ALA 85 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2qf7 s ALA 85 Cb 0.10 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2qf7 s ALA 85 CO 0.79 -0.49 -0.20 0.42 0.00 0.00 0.00 175.76 176.28 2qf7 s ILE 86 N -3.06 1.81 -0.24 0.00 1.01 0.62 -1.00 121.20 120.35 2qf7 s ILE 86 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 2qf7 s ILE 86 Cb 0.01 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2qf7 s ILE 86 CO -0.07 0.50 0.17 -2.28 0.00 0.00 0.00 174.94 173.27 2qf7 s HIS 87 N 0.66 3.32 -2.27 3.97 2.46 -0.35 -0.51 115.29 122.56 2qf7 s HIS 87 Ca -0.12 0.24 0.29 0.00 0.47 0.00 0.00 55.06 55.93 2qf7 s HIS 87 Cb -0.16 -2.28 1.19 0.00 -0.13 0.00 0.00 32.58 31.20 2qf7 s HIS 87 CO 0.03 0.07 1.82 -0.35 -2.47 0.00 0.00 174.74 173.84 2qf7 n PRO 88 N 4.28 1.39 0.00 2.88 -0.04 -1.26 -0.99 135.00 141.26 2qf7 n PRO 88 Ca -0.15 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 2qf7 n PRO 88 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2qf7 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qf7 n GLY 89 N 1.17 3.16 3.43 0.55 0.00 -1.26 -4.40 105.19 107.83 2qf7 n GLY 89 Ca 0.19 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2qf7 n GLY 89 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qf7 s TYR 90 N 0.00 1.93 0.00 1.61 -0.85 -1.26 -4.44 117.35 114.33 2qf7 s TYR 90 Ca 0.00 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.80 2qf7 s TYR 90 Cb 0.00 -1.13 0.00 0.00 0.38 0.00 0.00 41.96 41.21 2qf7 s TYR 90 CO 0.00 0.22 0.00 0.41 -1.52 0.00 0.00 175.55 174.66 2qf7 n GLY 91 N -0.59 -0.06 7.00 5.49 0.00 -1.26 -4.85 105.19 110.92 2qf7 n GLY 91 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2qf7 n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qf7 n LEU 92 N 0.00 0.00 -1.41 0.99 4.77 -1.26 -1.48 117.00 118.61 2qf7 n LEU 92 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2qf7 n LEU 92 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 2qf7 n LEU 92 CO 0.00 0.00 0.78 0.18 -1.33 0.00 0.00 177.39 177.02 2qf7 n LEU 93 N 0.00 4.12 0.20 2.23 4.77 -1.26 -4.55 117.00 122.51 2qf7 n LEU 93 Ca 0.00 -2.07 0.15 0.00 -0.03 0.00 0.00 56.01 54.06 2qf7 n LEU 93 Cb 0.00 -0.51 0.61 0.00 -2.33 0.00 0.00 43.42 41.19 2qf7 n LEU 93 CO 0.00 0.89 0.93 0.77 -1.33 0.00 0.00 177.39 178.65 2qf7 h SER 94 N 4.11 0.00 -0.16 -1.43 4.64 -1.46 -2.38 113.55 116.87 2qf7 h SER 94 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2qf7 h SER 94 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2qf7 h SER 94 CO 0.08 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.40 2qf7 n GLU 95 N -2.61 2.14 -3.32 4.77 1.02 -1.26 -4.79 120.64 116.59 2qf7 n GLU 95 Ca 0.01 -2.79 -0.44 0.00 -0.02 0.00 0.00 57.16 53.92 2qf7 n GLU 95 Cb 0.24 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 2qf7 n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2qf7 s SER 96 N -2.40 6.17 0.48 1.62 0.15 -0.90 -4.93 113.70 113.88 2qf7 s SER 96 Ca 0.38 -1.17 0.14 0.00 0.70 0.00 0.00 55.95 56.00 2qf7 s SER 96 Cb 0.32 -2.22 1.11 0.00 -1.71 0.00 0.00 66.02 63.53 2qf7 s SER 96 CO 0.05 -0.71 2.09 1.55 1.20 0.00 0.00 173.24 177.42 2qf7 h PRO 97 N 8.82 0.11 -0.74 5.44 0.13 -1.89 -1.74 132.00 142.14 2qf7 h PRO 97 Ca -0.28 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2qf7 h PRO 97 Cb 1.11 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2qf7 h PRO 97 CO 0.90 0.12 0.43 0.93 -0.23 0.00 0.00 178.00 180.15 2qf7 h GLU 98 N 0.11 1.01 -0.29 0.86 3.07 -1.95 -0.45 114.58 116.94 2qf7 h GLU 98 Ca 0.03 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 2qf7 h GLU 98 Cb 0.08 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2qf7 h GLU 98 CO 0.00 0.72 -0.12 0.35 -1.40 0.00 0.00 179.01 178.56 2qf7 h PHE 99 N 1.02 0.68 -0.52 4.33 3.57 -1.67 -1.49 116.94 122.86 2qf7 h PHE 99 Ca 0.26 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2qf7 h PHE 99 Cb -0.01 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 2qf7 h PHE 99 CO 0.01 0.82 0.30 0.28 -2.23 0.00 0.00 178.31 177.48 2qf7 h VAL 100 N 0.34 1.03 -0.32 1.41 2.07 -1.14 -0.76 116.25 118.88 2qf7 h VAL 100 Ca 0.07 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2qf7 h VAL 100 Cb 0.63 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2qf7 h VAL 100 CO 0.04 0.11 -0.17 0.44 0.02 0.00 0.00 177.57 178.00 2qf7 h ASP 101 N 0.59 -0.58 -0.50 0.57 3.32 -0.99 -0.73 116.42 118.09 2qf7 h ASP 101 Ca 0.22 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.45 2qf7 h ASP 101 Cb 0.05 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2qf7 h ASP 101 CO -0.11 -0.21 0.21 0.00 -1.72 0.00 0.00 179.24 177.41 2qf7 h ALA 102 N 1.09 0.63 -0.05 3.45 0.00 -0.79 0.20 119.26 123.79 2qf7 h ALA 102 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2qf7 h ALA 102 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2qf7 h ALA 102 CO -0.40 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.50 2qf7 h ASN 104 N -0.28 0.97 -0.41 0.00 -0.26 -0.75 -0.35 115.58 114.50 2qf7 h ASN 104 Ca 0.07 -0.11 0.05 0.00 -0.56 0.00 0.00 56.30 55.76 2qf7 h ASN 104 Cb 0.38 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 2qf7 h ASN 104 CO -0.21 0.80 0.28 0.50 -1.06 0.00 0.00 177.43 177.73 2qf7 h LYS 105 N 1.07 0.34 -0.01 0.81 1.63 -0.72 -1.77 116.57 117.92 2qf7 h LYS 105 Ca 0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2qf7 h LYS 105 Cb 0.05 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2qf7 h LYS 105 CO -0.04 0.22 -0.24 0.00 -3.45 0.00 0.00 179.45 175.94 2qf7 n ALA 106 N -2.52 3.04 -1.71 5.00 0.00 -0.70 -4.94 120.51 118.69 2qf7 n ALA 106 Ca 0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 2qf7 n ALA 106 Cb 0.23 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2qf7 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qf7 n GLY 107 N 1.33 0.45 3.54 0.00 0.00 -0.67 -5.03 105.19 104.81 2qf7 n GLY 107 Ca 0.12 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2qf7 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf7 s ILE 108 N -2.30 3.87 0.07 -0.61 1.01 -0.23 -4.98 121.20 118.04 2qf7 s ILE 108 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 2qf7 s ILE 108 Cb 0.00 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 2qf7 s ILE 108 CO 0.00 0.53 1.30 -0.63 0.00 0.00 0.00 174.94 176.14 2qf7 s ILE 109 N -0.09 3.72 -0.20 2.92 1.01 -0.44 -3.81 121.20 124.31 2qf7 s ILE 109 Ca 0.02 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 61.69 2qf7 s ILE 109 Cb -0.13 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2qf7 s ILE 109 CO 0.03 0.08 0.58 0.12 0.00 0.00 0.00 174.94 175.75 2qf7 s PHE 110 N 1.26 3.37 -0.95 3.97 5.36 -1.26 -0.27 117.98 129.45 2qf7 s PHE 110 Ca 0.61 0.86 -0.21 0.00 -0.96 0.00 0.00 56.93 57.24 2qf7 s PHE 110 Cb -0.32 -2.74 0.10 0.00 -0.34 0.00 0.00 43.02 39.71 2qf7 s PHE 110 CO 0.29 -0.15 1.24 0.42 -1.46 0.00 0.00 175.22 175.57 2qf7 s ILE 111 N 1.80 4.39 -4.52 3.12 1.01 0.33 -4.78 121.20 122.55 2qf7 s ILE 111 Ca 0.27 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2qf7 s ILE 111 Cb -0.16 -4.88 0.00 0.00 0.01 0.00 0.00 42.46 37.43 2qf7 s ILE 111 CO 0.10 -1.67 0.00 0.61 0.00 0.00 0.00 174.94 173.98 2qf7 n GLY 112 N 6.01 -1.68 3.75 6.18 0.00 -1.26 -4.48 105.19 113.71 2qf7 n GLY 112 Ca 0.26 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2qf7 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qf7 s PRO 113 N -1.85 1.33 0.86 1.61 0.04 -0.87 -4.73 135.00 131.39 2qf7 s PRO 113 Ca 0.00 0.57 -0.10 0.00 0.04 0.00 0.00 61.00 61.51 2qf7 s PRO 113 Cb 0.00 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.81 2qf7 s PRO 113 CO 0.00 -2.13 1.13 0.15 0.04 0.00 0.00 177.00 176.19 2qf7 s LYS 114 N -5.10 1.49 0.35 4.56 -0.14 -1.26 -4.86 119.74 114.78 2qf7 s LYS 114 Ca 0.63 1.41 0.03 0.00 -1.36 0.00 0.00 55.97 56.67 2qf7 s LYS 114 Cb -0.16 -1.79 0.65 0.00 -1.68 0.00 0.00 37.83 34.85 2qf7 s LYS 114 CO 0.55 -2.25 1.99 0.00 -0.76 0.00 0.00 175.35 174.88 2qf7 h ALA 115 N -1.59 1.53 0.00 5.17 0.00 -1.93 -2.33 119.26 120.12 2qf7 h ALA 115 Ca -0.43 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2qf7 h ALA 115 Cb 1.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2qf7 h ALA 115 CO 0.45 0.41 -0.70 -0.44 0.00 0.00 0.00 179.25 178.97 2qf7 h ASP 116 N 0.78 0.00 -0.01 0.00 5.19 -1.95 -1.49 116.42 118.94 2qf7 h ASP 116 Ca 0.21 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 2qf7 h ASP 116 Cb -0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2qf7 h ASP 116 CO -0.04 0.70 -0.05 0.74 -3.12 0.00 0.00 179.24 177.47 2qf7 h THR 117 N 0.00 0.86 -0.73 0.35 2.02 -1.81 -1.67 112.91 111.92 2qf7 h THR 117 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2qf7 h THR 117 Cb 1.25 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 2qf7 h THR 117 CO 0.09 0.00 0.44 0.24 0.37 0.00 0.00 175.52 176.66 2qf7 h MET 118 N -0.09 0.81 -0.26 6.66 2.86 -1.20 -1.32 114.93 122.39 2qf7 h MET 118 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2qf7 h MET 118 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2qf7 h MET 118 CO -0.06 0.54 0.07 0.00 1.06 0.00 0.00 176.91 178.52 2qf7 h ARG 119 N 0.84 0.42 -0.33 1.72 3.08 -1.07 0.40 114.38 119.43 2qf7 h ARG 119 Ca 0.31 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.27 2qf7 h ARG 119 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2qf7 h ARG 119 CO -0.15 0.50 0.20 0.37 -1.07 0.00 0.00 179.97 179.83 2qf7 h GLN 120 N 0.26 0.40 0.00 0.04 4.15 -1.11 -2.96 115.11 115.89 2qf7 h GLN 120 Ca 0.08 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2qf7 h GLN 120 Cb 0.27 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2qf7 h GLN 120 CO -0.00 0.27 -0.12 -0.07 -1.93 0.00 0.00 178.83 176.97 2qf7 h LEU 121 N 0.42 0.00 0.00 -2.39 3.38 -1.14 -3.19 115.31 112.39 2qf7 h LEU 121 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qf7 h LEU 121 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qf7 h LEU 121 CO -0.04 0.12 -0.20 1.23 0.09 0.00 0.00 178.44 179.64 2qf7 h GLY 122 N 3.21 0.00 -7.43 0.83 0.00 -0.80 -3.43 103.07 95.44 2qf7 h GLY 122 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.68 2qf7 h GLY 122 CO 0.02 0.00 -0.29 0.21 0.00 0.00 0.00 176.54 176.48 2qf7 s ASN 123 N -5.04 6.19 0.44 0.19 2.47 -1.13 -4.99 114.94 113.07 2qf7 s ASN 123 Ca 0.08 0.02 0.10 0.00 0.42 0.00 0.00 52.86 53.48 2qf7 s ASN 123 Cb 0.10 -2.20 0.99 0.00 -1.45 0.00 0.00 41.25 38.69 2qf7 s ASN 123 CO 0.66 -0.24 2.08 0.11 -3.72 0.00 0.00 177.10 175.98 2qf7 h LYS 124 N 8.33 0.35 -0.03 0.43 6.56 -1.85 0.39 116.57 130.75 2qf7 h LYS 124 Ca -0.31 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2qf7 h LYS 124 Cb 1.16 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2qf7 h LYS 124 CO 0.66 0.24 0.01 -0.24 -2.06 0.00 0.00 179.45 178.07 2qf7 h VAL 125 N 0.36 1.13 -0.14 0.50 3.04 -1.94 -1.65 116.25 117.55 2qf7 h VAL 125 Ca 0.10 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 2qf7 h VAL 125 Cb -0.02 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2qf7 h VAL 125 CO -0.02 0.10 0.01 0.00 -1.01 0.00 0.00 177.57 176.65 2qf7 h ALA 126 N 0.86 0.19 -0.88 3.17 0.00 -1.67 -2.65 119.26 118.28 2qf7 h ALA 126 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2qf7 h ALA 126 Cb 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2qf7 h ALA 126 CO -0.00 -0.13 0.56 0.00 0.00 0.00 0.00 179.25 179.69 2qf7 h ALA 127 N 0.77 1.17 -0.20 0.00 0.00 -0.96 -0.31 119.26 119.74 2qf7 h ALA 127 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2qf7 h ALA 127 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qf7 h ALA 127 CO 0.01 0.39 -0.04 -0.09 0.00 0.00 0.00 179.25 179.52 2qf7 h ARG 128 N 1.08 0.38 -0.43 0.00 2.43 -1.33 -2.60 114.38 113.91 2qf7 h ARG 128 Ca 0.36 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2qf7 h ARG 128 Cb 0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2qf7 h ARG 128 CO -0.13 0.62 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.99 2qf7 h ASN 129 N 0.11 0.72 0.02 -3.80 -0.26 -1.15 0.33 115.58 111.54 2qf7 h ASN 129 Ca 0.05 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2qf7 h ASN 129 Cb 0.48 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 2qf7 h ASN 129 CO 0.02 0.83 -0.01 0.25 -1.06 0.00 0.00 177.43 177.46 2qf7 h LEU 130 N 0.69 -0.02 -0.28 1.61 5.85 -1.06 0.15 115.31 122.24 2qf7 h LEU 130 Ca 0.13 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2qf7 h LEU 130 Cb 0.51 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2qf7 h LEU 130 CO 0.03 0.08 0.07 0.00 -0.34 0.00 0.00 178.44 178.28 2qf7 h ALA 131 N 0.85 0.30 -0.94 1.25 0.00 -1.29 -1.43 119.26 118.00 2qf7 h ALA 131 Ca -0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2qf7 h ALA 131 Cb 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2qf7 h ALA 131 CO 0.00 -0.34 0.60 0.82 0.00 0.00 0.00 179.25 180.34 2qf7 h ILE 132 N 0.18 0.99 0.00 0.00 2.04 -0.82 -0.55 117.51 119.35 2qf7 h ILE 132 Ca 0.13 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2qf7 h ILE 132 Cb 0.12 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2qf7 h ILE 132 CO -0.16 0.18 -0.10 0.77 0.00 0.00 0.00 178.15 178.84 2qf7 h SER 133 N 0.98 0.00 -0.36 1.72 4.64 0.38 -2.65 113.55 118.26 2qf7 h SER 133 Ca 0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.71 2qf7 h SER 133 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2qf7 h SER 133 CO -0.19 0.10 0.02 1.33 -0.87 0.00 0.00 176.83 177.22 2qf7 n VAL 134 N -3.20 2.45 -3.40 0.95 0.24 -0.95 -4.98 118.33 109.44 2qf7 n VAL 134 Ca 0.01 -1.90 -0.20 0.00 -2.04 0.00 0.00 64.34 60.22 2qf7 n VAL 134 Cb 0.40 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.56 2qf7 n VAL 134 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qf7 n GLY 135 N -0.41 -0.28 3.57 7.63 0.00 -1.00 -5.00 105.19 109.70 2qf7 n GLY 135 Ca 0.26 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 2qf7 n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qf7 s VAL 136 N -3.26 4.73 0.49 1.61 1.01 -0.25 -5.03 120.40 119.70 2qf7 s VAL 136 Ca 0.48 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 2qf7 s VAL 136 Cb -0.21 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2qf7 s VAL 136 CO 0.60 0.39 1.28 -2.16 0.00 0.00 0.00 175.10 175.21 2qf7 s PRO 137 N 0.95 3.51 0.25 2.72 0.04 -1.26 -3.98 135.00 137.23 2qf7 s PRO 137 Ca 0.05 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.18 2qf7 s PRO 137 Cb -0.14 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 2qf7 s PRO 137 CO 0.03 -0.83 -0.02 0.14 0.04 0.00 0.00 177.00 176.36 2qf7 s VAL 138 N -1.39 1.24 0.24 -0.36 -7.23 -1.26 -0.79 120.40 110.85 2qf7 s VAL 138 Ca 0.66 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2qf7 s VAL 138 Cb -0.35 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.26 2qf7 s VAL 138 CO 0.43 -0.31 0.13 0.52 -0.31 0.00 0.00 175.10 175.55 2qf7 n VAL 139 N -0.48 0.00 0.00 1.32 0.31 -1.26 -4.85 118.33 113.37 2qf7 n VAL 139 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2qf7 n VAL 139 Cb 0.64 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2qf7 n VAL 139 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qf7 n LYS 209 N -1.99 0.00 0.00 5.55 5.02 -1.26 -5.14 118.16 120.34 2qf7 n LYS 209 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2qf7 n LYS 209 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2qf7 n LYS 209 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qf7 n LEU 210 N 0.00 0.00 -4.52 -0.35 4.32 -1.26 -4.98 117.00 110.21 2qf7 n LEU 210 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 2qf7 n LEU 210 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 2qf7 n LEU 210 CO 0.00 0.00 0.02 -0.69 -1.22 0.00 0.00 177.39 175.50 2qf7 s VAL 211 N 0.00 5.17 -0.01 4.08 1.01 -1.26 -5.09 120.40 124.30 2qf7 s VAL 211 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2qf7 s VAL 211 Cb 0.00 -3.87 -0.33 0.00 0.00 0.00 0.00 36.38 32.18 2qf7 s VAL 211 CO 0.00 -0.18 0.86 -0.33 0.00 0.00 0.00 175.10 175.45 2qf7 h GLU 212 N 8.54 0.45 -3.97 2.72 5.08 -1.99 -3.38 114.58 122.03 2qf7 h GLU 212 Ca -0.29 -0.77 -0.73 0.00 -1.00 0.00 0.00 59.36 56.57 2qf7 h GLU 212 Cb 1.14 0.29 -0.31 0.00 0.50 0.00 0.00 28.75 30.37 2qf7 h GLU 212 CO 0.71 1.37 -0.27 1.03 -1.00 0.00 0.00 179.01 180.85 2qf7 s ARG 213 N -2.56 2.76 0.06 2.33 1.81 -1.26 -4.93 118.95 117.16 2qf7 s ARG 213 Ca -0.12 -2.17 0.07 0.00 -1.72 0.00 0.00 55.73 51.79 2qf7 s ARG 213 Cb 0.04 -3.98 -0.03 0.00 -0.45 0.00 0.00 34.95 30.53 2qf7 s ARG 213 CO 0.89 -1.21 -0.18 0.00 -0.68 0.00 0.00 175.30 174.12 2qf7 s ALA 214 N 0.63 2.62 0.12 2.13 0.00 -1.26 -0.97 121.76 125.03 2qf7 s ALA 214 Ca 0.12 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.95 2qf7 s ALA 214 Cb -0.21 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2qf7 s ALA 214 CO -0.04 0.58 -0.18 1.03 0.00 0.00 0.00 175.76 177.15 2qf7 s ARG 215 N -1.60 1.78 -0.32 0.00 0.52 0.05 -1.30 118.95 118.09 2qf7 s ARG 215 Ca 0.15 -1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 54.09 2qf7 s ARG 215 Cb -0.11 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 2qf7 s ARG 215 CO 0.06 0.48 0.16 -1.58 0.02 0.00 0.00 175.30 174.45 2qf7 s HIS 216 N -1.14 3.18 0.02 -0.53 5.65 -1.26 -1.33 115.29 119.89 2qf7 s HIS 216 Ca 0.18 -0.56 0.07 0.00 0.25 0.00 0.00 55.06 54.99 2qf7 s HIS 216 Cb -0.11 -2.37 -0.02 0.00 -1.18 0.00 0.00 32.58 28.91 2qf7 s HIS 216 CO 0.10 -0.46 -0.20 0.14 -0.65 0.00 0.00 174.74 173.67 2qf7 s VAL 217 N 1.62 1.62 -0.00 0.89 -7.23 -0.70 -0.81 120.40 115.79 2qf7 s VAL 217 Ca 0.05 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2qf7 s VAL 217 Cb -0.17 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 2qf7 s VAL 217 CO 0.07 0.30 -0.01 -1.83 -0.31 0.00 0.00 175.10 173.31 2qf7 s GLU 218 N -0.89 0.11 -0.03 4.82 -1.05 -0.51 -0.02 118.70 121.12 2qf7 s GLU 218 Ca 0.07 -0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.68 2qf7 s GLU 218 Cb -0.08 -0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.45 2qf7 s GLU 218 CO 0.01 0.03 0.47 -1.12 0.95 0.00 0.00 175.26 175.59 2qf7 s SER 219 N -0.02 6.81 -0.20 0.83 0.01 0.65 -0.68 113.70 121.11 2qf7 s SER 219 Ca 0.00 0.97 -0.24 0.00 1.31 0.00 0.00 55.95 57.99 2qf7 s SER 219 Cb -0.01 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2qf7 s SER 219 CO -0.00 0.19 0.77 -1.58 0.41 0.00 0.00 173.24 173.03 2qf7 s GLN 220 N -0.44 4.24 0.27 12.44 2.00 -0.53 -1.43 119.66 136.21 2qf7 s GLN 220 Ca 0.26 0.88 0.10 0.00 -2.00 0.00 0.00 55.36 54.60 2qf7 s GLN 220 Cb -0.17 -3.60 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 2qf7 s GLN 220 CO 0.13 -0.36 -0.06 0.96 -0.50 0.00 0.00 175.29 175.47 2qf7 s ILE 221 N 2.27 3.12 -0.03 -2.34 -5.25 0.30 -0.30 121.20 118.98 2qf7 s ILE 221 Ca 0.34 -2.07 0.01 0.00 -0.99 0.00 0.00 60.65 57.95 2qf7 s ILE 221 Cb -0.16 -2.68 0.01 0.00 2.95 0.00 0.00 42.46 42.58 2qf7 s ILE 221 CO 0.10 -0.37 -0.04 -0.76 -1.79 0.00 0.00 174.94 172.08 2qf7 s LEU 222 N -3.63 1.57 0.07 0.37 1.43 -0.55 -2.14 118.68 115.79 2qf7 s LEU 222 Ca 0.31 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2qf7 s LEU 222 Cb -0.06 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 2qf7 s LEU 222 CO 0.18 -0.01 -0.18 -0.83 0.23 0.00 0.00 176.35 175.74 2qf7 s GLY 223 N 0.52 1.04 0.46 -3.19 0.00 -0.13 -1.23 107.32 104.78 2qf7 s GLY 223 Ca -0.06 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.67 2qf7 s GLY 223 CO -0.00 -1.03 0.26 0.51 0.00 0.00 0.00 173.10 172.84 2qf7 s ASP 224 N -1.49 4.55 0.00 1.64 1.47 -0.14 -0.66 116.67 122.04 2qf7 s ASP 224 Ca 0.04 -1.12 0.11 0.00 1.18 0.00 0.00 52.55 52.76 2qf7 s ASP 224 Cb -0.09 -0.16 0.65 0.00 -0.34 0.00 0.00 42.92 42.98 2qf7 s ASP 224 CO 0.03 -0.74 1.11 0.35 0.68 0.00 0.00 175.17 176.59 2qf7 n THR 225 N -1.44 0.00 -0.27 2.11 -2.24 -1.26 -2.96 114.28 108.22 2qf7 n THR 225 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2qf7 n THR 225 Cb 0.64 -0.53 0.12 0.00 -2.10 0.00 0.00 70.33 68.46 2qf7 n THR 225 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qf7 n HIS 226 N -0.81 0.37 -0.58 4.78 8.25 -1.26 -4.98 115.22 120.99 2qf7 n HIS 226 Ca 0.08 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 2qf7 n HIS 226 Cb 0.04 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2qf7 n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qf7 n GLY 227 N 0.02 0.72 3.75 -1.41 0.00 -1.16 -5.04 105.19 102.07 2qf7 n GLY 227 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2qf7 n GLY 227 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qf7 s ASN 228 N -2.13 6.71 -0.01 1.61 0.01 -1.26 -4.96 114.94 114.91 2qf7 s ASN 228 Ca 0.00 0.85 0.05 0.00 -0.71 0.00 0.00 52.86 53.05 2qf7 s ASN 228 Cb 0.00 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 2qf7 s ASN 228 CO 0.00 0.10 -0.16 0.68 -1.51 0.00 0.00 177.10 176.20 2qf7 s VAL 229 N 0.14 1.27 0.15 1.60 -7.23 -1.26 -0.97 120.40 114.10 2qf7 s VAL 229 Ca 0.25 -0.69 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 2qf7 s VAL 229 Cb -0.16 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2qf7 s VAL 229 CO 0.11 0.36 -0.12 0.68 -0.31 0.00 0.00 175.10 175.82 2qf7 s VAL 230 N -0.35 1.33 0.10 1.32 -7.23 -0.37 -4.98 120.40 110.23 2qf7 s VAL 230 Ca 0.06 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2qf7 s VAL 230 Cb -0.06 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2qf7 s VAL 230 CO -0.00 -0.61 -0.07 -1.38 -0.31 0.00 0.00 175.10 172.72 2qf7 s HIS 231 N -2.88 2.81 -0.37 2.82 -3.43 -1.26 -1.48 115.29 111.49 2qf7 s HIS 231 Ca 0.15 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.34 2qf7 s HIS 231 Cb -0.00 -1.46 0.46 0.00 -1.43 0.00 0.00 32.58 30.14 2qf7 s HIS 231 CO 0.03 0.45 1.36 1.28 -2.00 0.00 0.00 174.74 175.85 2qf7 n LEU 232 N 0.62 5.48 0.00 5.38 4.32 0.59 -4.99 117.00 128.40 2qf7 n LEU 232 Ca -0.12 -4.68 0.00 0.00 -0.02 0.00 0.00 56.01 51.18 2qf7 n LEU 232 Cb 0.52 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2qf7 n LEU 232 CO 0.35 1.99 0.00 0.49 -1.22 0.00 0.00 177.39 179.00 2qf7 n PHE 233 N -0.74 -0.36 -4.34 -1.77 3.72 -1.26 -4.65 117.46 108.05 2qf7 n PHE 233 Ca 0.48 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.70 2qf7 n PHE 233 Cb 0.89 0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 39.46 2qf7 n PHE 233 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2qf7 s GLU 234 N 0.00 1.39 0.06 -1.08 1.03 -1.26 -1.45 118.70 117.39 2qf7 s GLU 234 Ca 0.00 -1.72 0.06 0.00 0.03 0.00 0.00 54.97 53.34 2qf7 s GLU 234 Cb 0.00 -0.59 -0.03 0.00 -0.80 0.00 0.00 34.13 32.71 2qf7 s GLU 234 CO 0.00 -0.14 -0.17 1.03 -1.33 0.00 0.00 175.26 174.64 2qf7 s ARG 235 N -3.90 1.07 -0.19 -4.83 0.52 0.15 -3.85 118.95 107.93 2qf7 s ARG 235 Ca 0.31 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 2qf7 s ARG 235 Cb 0.06 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.33 2qf7 s ARG 235 CO 0.10 0.28 0.37 0.34 0.02 0.00 0.00 175.30 176.41 2qf7 s ASP 236 N -1.44 6.44 -0.18 0.23 2.15 0.44 -1.43 116.67 122.89 2qf7 s ASP 236 Ca 0.03 0.52 0.15 0.00 0.43 0.00 0.00 52.55 53.68 2qf7 s ASP 236 Cb -0.09 -2.22 0.44 0.00 -0.30 0.00 0.00 42.92 40.75 2qf7 s ASP 236 CO 0.02 -0.02 1.20 0.00 -0.17 0.00 0.00 175.17 176.20 2qf7 h SER 238 N 1.30 0.00 -1.69 0.00 0.02 -1.81 -3.41 113.55 107.96 2qf7 h SER 238 Ca -0.01 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2qf7 h SER 238 Cb 1.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.78 2qf7 h SER 238 CO 0.16 0.46 1.20 -0.69 -1.14 0.00 0.00 176.83 176.81 2qf7 s VAL 239 N -3.44 3.68 -0.01 2.27 1.01 -1.26 -3.80 120.40 118.85 2qf7 s VAL 239 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2qf7 s VAL 239 Cb 0.10 -4.67 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 2qf7 s VAL 239 CO 0.71 -1.59 -0.13 -1.10 0.00 0.00 0.00 175.10 172.98 2qf7 s GLN 240 N 5.91 1.09 -0.11 2.72 -0.21 -1.26 -0.99 119.66 126.81 2qf7 s GLN 240 Ca 0.49 -0.49 -0.00 0.00 0.02 0.00 0.00 55.36 55.38 2qf7 s GLN 240 Cb -0.06 -1.05 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 2qf7 s GLN 240 CO 0.06 0.29 -0.10 0.50 -2.12 0.00 0.00 175.29 173.92 2qf7 s ARG 241 N -0.34 3.19 3.40 2.91 3.52 0.11 -4.23 118.95 127.51 2qf7 s ARG 241 Ca 0.05 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2qf7 s ARG 241 Cb -0.05 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2qf7 s ARG 241 CO -0.00 0.38 0.00 0.54 -0.81 0.00 0.00 175.30 175.41 2qf7 n ARG 242 N 3.06 0.00 -0.26 5.12 3.00 -1.26 -0.40 116.66 125.92 2qf7 n ARG 242 Ca -0.18 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 57.75 2qf7 n ARG 242 Cb 0.53 0.00 0.16 0.00 0.00 0.00 0.00 32.46 33.15 2qf7 n ARG 242 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2qf7 n ASN 243 N 7.00 2.09 -4.61 0.55 4.13 -1.26 -4.99 115.26 118.17 2qf7 n ASN 243 Ca 0.00 -3.33 -0.34 0.00 1.68 0.00 0.00 54.58 52.59 2qf7 n ASN 243 Cb 0.00 -0.46 -0.11 0.00 -1.54 0.00 0.00 39.78 37.68 2qf7 n ASN 243 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2qf7 s GLN 244 N -2.93 3.15 0.23 3.52 1.11 0.47 -5.06 119.66 120.15 2qf7 s GLN 244 Ca 0.33 -0.47 -0.30 0.00 0.01 0.00 0.00 55.36 54.94 2qf7 s GLN 244 Cb 0.31 -2.80 -0.10 0.00 -1.01 0.00 0.00 33.01 29.41 2qf7 s GLN 244 CO -0.00 0.56 1.42 0.15 0.01 0.00 0.00 175.29 177.42 2qf7 s LYS 245 N -0.49 4.29 -0.00 2.91 1.02 -1.26 -0.71 119.74 125.50 2qf7 s LYS 245 Ca 0.08 2.25 -0.00 0.00 0.02 0.00 0.00 55.97 58.32 2qf7 s LYS 245 Cb -0.12 -3.13 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2qf7 s LYS 245 CO 0.02 -0.40 -0.01 0.28 -0.92 0.00 0.00 175.35 174.33 2qf7 n VAL 246 N 2.53 0.02 -4.36 3.17 0.31 -0.16 -4.88 118.33 114.97 2qf7 n VAL 246 Ca 0.07 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 2qf7 n VAL 246 Cb 0.41 -1.20 -0.17 0.00 -0.91 0.00 0.00 33.84 31.97 2qf7 n VAL 246 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qf7 s VAL 247 N -2.01 0.96 0.14 2.52 1.01 -1.15 -4.09 120.40 117.78 2qf7 s VAL 247 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2qf7 s VAL 247 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2qf7 s VAL 247 CO 0.01 0.33 -0.21 -1.61 0.00 0.00 0.00 175.10 173.61 2qf7 s GLU 248 N 0.92 1.64 0.02 2.72 8.01 -1.02 -4.16 118.70 126.83 2qf7 s GLU 248 Ca -0.10 -1.31 0.03 0.00 0.01 0.00 0.00 54.97 53.59 2qf7 s GLU 248 Cb -0.15 -2.00 -0.02 0.00 -4.31 0.00 0.00 34.13 27.66 2qf7 s GLU 248 CO 0.01 0.45 -0.09 1.03 0.01 0.00 0.00 175.26 176.67 2qf7 s ARG 249 N -2.30 0.63 -0.02 1.61 0.52 -0.41 -1.00 118.95 117.98 2qf7 s ARG 249 Ca 0.18 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2qf7 s ARG 249 Cb -0.10 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.85 2qf7 s ARG 249 CO 0.09 0.13 -0.03 0.00 0.02 0.00 0.00 175.30 175.51 2qf7 s ALA 250 N -0.79 0.44 1.15 2.13 0.00 -0.38 -0.42 121.76 123.90 2qf7 s ALA 250 Ca -0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 2qf7 s ALA 250 Cb -0.07 -0.24 0.25 0.00 0.00 0.00 0.00 23.12 23.07 2qf7 s ALA 250 CO 0.00 0.02 1.06 -0.35 0.00 0.00 0.00 175.76 176.50 2qf7 n PRO 251 N 3.57 -2.38 -2.24 0.00 -0.04 -1.26 -0.11 135.00 132.53 2qf7 n PRO 251 Ca -0.20 -1.67 -0.43 0.00 -0.04 0.00 0.00 63.50 61.16 2qf7 n PRO 251 Cb 0.54 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 2qf7 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qf7 s ALA 252 N -3.32 3.54 -0.42 0.55 0.00 -1.25 -4.64 121.76 116.22 2qf7 s ALA 252 Ca 0.65 0.55 0.26 0.00 0.00 0.00 0.00 51.96 53.43 2qf7 s ALA 252 Cb -0.05 -3.72 0.90 0.00 0.00 0.00 0.00 23.12 20.25 2qf7 s ALA 252 CO 0.49 -1.46 1.77 -1.00 0.00 0.00 0.00 175.76 175.56 2qf7 h PRO 253 N 9.21 0.00 -0.00 0.00 0.13 -1.94 -2.69 132.00 136.70 2qf7 h PRO 253 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2qf7 h PRO 253 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2qf7 h PRO 253 CO 0.98 0.00 -0.04 2.48 -0.23 0.00 0.00 178.00 181.19 2qf7 n TYR 254 N -2.59 0.00 -3.22 1.56 0.18 -1.26 -4.89 117.16 106.94 2qf7 n TYR 254 Ca 0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.46 2qf7 n TYR 254 Cb 0.36 -0.08 -0.06 0.00 -0.38 0.00 0.00 39.34 39.18 2qf7 n TYR 254 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2qf7 s LEU 255 N -2.20 4.30 0.79 -3.48 1.43 -1.02 -5.09 118.68 113.41 2qf7 s LEU 255 Ca 0.38 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 2qf7 s LEU 255 Cb 0.21 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.96 2qf7 s LEU 255 CO 0.41 0.02 1.14 -0.94 0.23 0.00 0.00 176.35 177.20 2qf7 s SER 256 N -1.79 4.61 0.45 2.29 1.04 -1.26 -4.90 113.70 114.14 2qf7 s SER 256 Ca 0.43 0.98 0.25 0.00 0.48 0.00 0.00 55.95 58.09 2qf7 s SER 256 Cb -0.15 -1.61 0.64 0.00 0.10 0.00 0.00 66.02 65.00 2qf7 s SER 256 CO 0.20 -1.86 1.71 -0.08 0.98 0.00 0.00 173.24 174.19 2qf7 h GLU 257 N -1.02 0.00 -0.18 4.02 4.57 -1.98 -1.00 114.58 118.99 2qf7 h GLU 257 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2qf7 h GLU 257 Cb 1.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2qf7 h GLU 257 CO 0.64 0.08 0.06 0.00 -1.18 0.00 0.00 179.01 178.61 2qf7 h ALA 258 N 1.92 0.23 -0.53 2.92 0.00 -1.99 -1.37 119.26 120.44 2qf7 h ALA 258 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qf7 h ALA 258 Cb 0.89 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2qf7 h ALA 258 CO 0.01 -0.16 0.33 1.96 0.00 0.00 0.00 179.25 181.39 2qf7 h GLN 259 N 0.12 0.65 -0.98 0.00 4.20 -1.91 -0.73 115.11 116.47 2qf7 h GLN 259 Ca 0.06 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.83 2qf7 h GLN 259 Cb 0.20 -0.15 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 2qf7 h GLN 259 CO -0.00 0.43 0.61 -0.09 -0.67 0.00 0.00 178.83 179.11 2qf7 h ARG 260 N 0.67 1.00 0.04 1.46 2.43 -0.99 -1.81 114.38 117.18 2qf7 h ARG 260 Ca 0.21 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.10 2qf7 h ARG 260 Cb -0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2qf7 h ARG 260 CO -0.07 0.66 -1.02 1.96 -1.51 0.00 0.00 179.97 179.99 2qf7 h GLN 261 N 1.03 0.13 -0.29 0.20 1.08 -0.89 -2.38 115.11 113.98 2qf7 h GLN 261 Ca 0.46 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 2qf7 h GLN 261 Cb 0.36 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2qf7 h GLN 261 CO -0.23 1.04 0.13 1.49 -0.95 0.00 0.00 178.83 180.31 2qf7 h GLU 262 N 0.05 0.42 -0.31 1.46 4.81 -0.88 -1.93 114.58 118.21 2qf7 h GLU 262 Ca -0.05 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2qf7 h GLU 262 Cb 1.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 2qf7 h GLU 262 CO 0.15 0.41 0.17 1.25 -0.73 0.00 0.00 179.01 180.26 2qf7 h LEU 263 N 0.33 0.38 -1.07 1.64 5.85 -1.38 -2.48 115.31 118.58 2qf7 h LEU 263 Ca 0.10 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.84 2qf7 h LEU 263 Cb 0.13 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2qf7 h LEU 263 CO -0.01 0.35 0.62 0.00 -0.34 0.00 0.00 178.44 179.06 2qf7 h ALA 264 N 1.05 1.53 -0.27 1.25 0.00 -1.38 -1.24 119.26 120.21 2qf7 h ALA 264 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2qf7 h ALA 264 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qf7 h ALA 264 CO -0.02 0.26 -0.38 0.00 0.00 0.00 0.00 179.25 179.11 2qf7 h ALA 265 N 1.52 0.83 -0.28 0.00 0.00 -1.12 -1.04 119.26 119.17 2qf7 h ALA 265 Ca 0.46 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qf7 h ALA 265 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qf7 h ALA 265 CO -0.21 0.64 0.02 1.88 0.00 0.00 0.00 179.25 181.58 2qf7 h TYR 266 N 0.51 0.52 -0.63 0.00 0.05 -0.96 -2.64 116.97 113.82 2qf7 h TYR 266 Ca 0.05 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 2qf7 h TYR 266 Cb 0.89 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 2qf7 h TYR 266 CO 0.04 0.60 0.11 0.77 -1.05 0.00 0.00 178.16 178.63 2qf7 h SER 267 N 0.28 0.97 -0.23 3.88 0.02 -1.08 -2.02 113.55 115.36 2qf7 h SER 267 Ca 0.08 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2qf7 h SER 267 Cb 0.38 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2qf7 h SER 267 CO 0.01 0.96 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.48 2qf7 h LEU 268 N 0.96 0.60 -0.30 5.07 3.38 -1.18 -1.11 115.31 122.74 2qf7 h LEU 268 Ca 0.19 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qf7 h LEU 268 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2qf7 h LEU 268 CO 0.01 0.75 0.17 0.11 0.09 0.00 0.00 178.44 179.57 2qf7 h LYS 269 N 0.57 0.34 0.00 1.13 1.57 -1.03 -1.66 116.57 117.49 2qf7 h LYS 269 Ca 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2qf7 h LYS 269 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2qf7 h LYS 269 CO 0.03 0.22 -0.00 0.82 -0.57 0.00 0.00 179.45 179.95 2qf7 h ILE 270 N 0.35 1.06 -0.09 1.86 1.08 -1.05 -1.15 117.51 119.57 2qf7 h ILE 270 Ca 0.12 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2qf7 h ILE 270 Cb 0.00 1.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 2qf7 h ILE 270 CO -0.06 0.04 -0.19 0.00 -0.69 0.00 0.00 178.15 177.25 2qf7 h ALA 271 N 0.92 -0.17 -0.61 1.87 0.00 -1.16 -1.25 119.26 118.86 2qf7 h ALA 271 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2qf7 h ALA 271 Cb 0.07 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2qf7 h ALA 271 CO 0.00 -0.66 0.11 0.78 0.00 0.00 0.00 179.25 179.48 2qf7 h GLY 272 N -0.27 1.05 1.64 0.00 0.00 -1.29 -1.29 103.07 102.91 2qf7 h GLY 272 Ca 0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 2qf7 h GLY 272 CO -0.25 0.62 -0.20 0.00 0.00 0.00 0.00 176.54 176.72 2qf7 h ALA 273 N 1.19 1.22 -0.20 3.60 0.00 -0.94 -2.49 119.26 121.64 2qf7 h ALA 273 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qf7 h ALA 273 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qf7 h ALA 273 CO 0.01 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.01 2qf7 n THR 274 N -4.17 0.26 -4.13 0.00 -2.24 -0.49 -4.94 114.28 98.57 2qf7 n THR 274 Ca -0.00 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 2qf7 n THR 274 Cb 0.36 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 2qf7 n THR 274 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qf7 n ASN 275 N 0.55 -1.99 -4.74 3.42 5.03 -0.67 -4.81 115.26 112.06 2qf7 n ASN 275 Ca 0.17 -1.02 -0.42 0.00 0.87 0.00 0.00 54.58 54.18 2qf7 n ASN 275 Cb 0.38 -2.81 -0.02 0.00 -1.02 0.00 0.00 39.78 36.31 2qf7 n ASN 275 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2qf7 s TYR 276 N -3.60 2.94 -0.17 3.10 5.04 -0.58 -4.98 117.35 119.11 2qf7 s TYR 276 Ca 0.43 0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 2qf7 s TYR 276 Cb -0.23 -3.93 -0.01 0.00 0.35 0.00 0.00 41.96 38.14 2qf7 s TYR 276 CO 0.92 -3.17 -0.12 0.42 -1.34 0.00 0.00 175.55 172.26 2qf7 s ILE 277 N 0.27 2.92 0.00 3.14 1.01 -1.26 -3.96 121.20 123.33 2qf7 s ILE 277 Ca 0.63 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2qf7 s ILE 277 Cb -0.44 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2qf7 s ILE 277 CO 0.42 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.46 2qf7 n GLY 278 N 4.13 -0.70 3.78 6.18 0.00 0.17 -2.06 105.19 116.69 2qf7 n GLY 278 Ca -0.19 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 2qf7 n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 279 N -2.00 3.65 0.16 4.61 0.00 -1.26 -0.96 121.76 125.96 2qf7 s ALA 279 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 2qf7 s ALA 279 Cb 0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 2qf7 s ALA 279 CO 0.00 0.27 0.28 0.20 0.00 0.00 0.00 175.76 176.51 2qf7 s GLY 280 N -0.18 0.40 -0.11 0.00 0.00 -0.91 -3.04 107.32 103.48 2qf7 s GLY 280 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2qf7 s GLY 280 CO 0.07 -0.80 -0.17 -1.59 0.00 0.00 0.00 173.10 170.61 2qf7 s THR 281 N -3.95 1.59 -0.29 0.90 2.01 -0.66 -0.54 115.64 114.71 2qf7 s THR 281 Ca 0.15 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 2qf7 s THR 281 Cb 0.03 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2qf7 s THR 281 CO -0.02 0.46 0.41 -0.69 -0.69 0.00 0.00 174.62 174.09 2qf7 s VAL 282 N 0.92 5.13 -0.14 3.82 1.01 -0.52 -0.38 120.40 130.25 2qf7 s VAL 282 Ca -0.08 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 2qf7 s VAL 282 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2qf7 s VAL 282 CO -0.01 0.05 0.13 -1.61 0.00 0.00 0.00 175.10 173.66 2qf7 s GLU 283 N 2.15 3.64 0.12 2.72 2.02 0.56 -0.25 118.70 129.65 2qf7 s GLU 283 Ca 0.16 -0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.04 2qf7 s GLU 283 Cb -0.16 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2qf7 s GLU 283 CO 0.11 0.63 -0.16 0.71 0.02 0.00 0.00 175.26 176.56 2qf7 s TYR 284 N -0.59 1.55 -0.14 1.61 2.02 0.97 -0.59 117.35 122.18 2qf7 s TYR 284 Ca 0.13 -0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2qf7 s TYR 284 Cb -0.12 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2qf7 s TYR 284 CO 0.02 0.19 0.17 -1.17 -1.57 0.00 0.00 175.55 173.19 2qf7 s LEU 285 N -2.29 4.33 -0.17 -1.29 2.96 0.72 -1.72 118.68 121.23 2qf7 s LEU 285 Ca 0.08 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.43 2qf7 s LEU 285 Cb -0.07 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 2qf7 s LEU 285 CO 0.04 0.31 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.94 2qf7 s MET 286 N -0.49 3.28 -0.44 1.98 -2.45 -0.44 0.17 119.30 120.92 2qf7 s MET 286 Ca 0.14 -0.70 -0.29 0.00 -1.25 0.00 0.00 55.69 53.59 2qf7 s MET 286 Cb -0.12 -2.73 0.02 0.00 1.25 0.00 0.00 34.83 33.24 2qf7 s MET 286 CO 0.03 -0.02 1.26 0.34 1.05 0.00 0.00 175.02 177.68 2qf7 s ASP 287 N 0.94 6.52 0.55 1.11 -1.08 0.30 -0.77 116.67 124.25 2qf7 s ASP 287 Ca -0.02 0.66 0.23 0.00 -0.52 0.00 0.00 52.55 52.90 2qf7 s ASP 287 Cb -0.15 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.29 2qf7 s ASP 287 CO -0.01 -1.31 2.18 0.00 0.52 0.00 0.00 175.17 176.54 2qf7 h ALA 288 N 9.82 1.83 0.00 3.66 0.00 -1.38 0.23 119.26 133.42 2qf7 h ALA 288 Ca -0.25 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2qf7 h ALA 288 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2qf7 h ALA 288 CO 1.11 -0.07 -0.57 -0.44 0.00 0.00 0.00 179.25 179.28 2qf7 h ASP 289 N 0.00 0.00 0.00 0.00 3.32 -1.91 -3.38 116.42 114.44 2qf7 h ASP 289 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2qf7 h ASP 289 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2qf7 h ASP 289 CO -0.00 0.57 -0.39 0.35 -1.72 0.00 0.00 179.24 178.05 2qf7 n THR 290 N -3.54 0.00 -0.96 0.35 -2.24 -0.73 -5.01 114.28 102.15 2qf7 n THR 290 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2qf7 n THR 290 Cb 0.64 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 2qf7 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qf7 n GLY 291 N 1.46 0.39 3.75 3.38 0.00 0.74 -5.01 105.19 109.89 2qf7 n GLY 291 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qf7 n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qf7 s LYS 292 N -0.64 4.65 0.10 1.61 1.02 -1.24 -4.80 119.74 120.45 2qf7 s LYS 292 Ca 0.00 1.71 -0.02 0.00 0.02 0.00 0.00 55.97 57.68 2qf7 s LYS 292 Cb 0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 2qf7 s LYS 292 CO 0.00 0.18 0.29 -0.06 -0.92 0.00 0.00 175.35 174.84 2qf7 s PHE 293 N -0.65 3.50 -0.10 3.18 0.08 -1.26 -0.54 117.98 122.20 2qf7 s PHE 293 Ca 0.47 0.38 -0.04 0.00 0.12 0.00 0.00 56.93 57.86 2qf7 s PHE 293 Cb -0.30 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 2qf7 s PHE 293 CO 0.36 0.51 0.19 0.71 -0.10 0.00 0.00 175.22 176.89 2qf7 s TYR 294 N -1.60 -0.24 0.19 0.36 2.02 0.13 -4.72 117.35 113.48 2qf7 s TYR 294 Ca 0.38 0.70 -0.31 0.00 -0.37 0.00 0.00 57.07 57.47 2qf7 s TYR 294 Cb -0.12 -0.20 -0.10 0.00 -0.40 0.00 0.00 41.96 41.13 2qf7 s TYR 294 CO 0.27 -0.29 1.50 0.12 -1.57 0.00 0.00 175.55 175.58 2qf7 s PHE 295 N 2.32 3.07 -0.06 2.71 5.36 0.03 -0.20 117.98 131.21 2qf7 s PHE 295 Ca 0.03 0.80 -0.07 0.00 -0.96 0.00 0.00 56.93 56.73 2qf7 s PHE 295 Cb -0.12 -3.86 -0.04 0.00 -0.34 0.00 0.00 43.02 38.66 2qf7 s PHE 295 CO -0.06 -3.03 -0.16 -0.89 -1.46 0.00 0.00 175.22 169.62 2qf7 n ILE 296 N 3.40 1.10 -3.55 3.12 -0.00 0.24 -4.32 119.36 119.35 2qf7 n ILE 296 Ca 0.11 0.12 -0.09 0.00 -0.00 0.00 0.00 62.75 62.89 2qf7 n ILE 296 Cb 0.40 -1.83 -0.02 0.00 -0.00 0.00 0.00 39.64 38.19 2qf7 n ILE 296 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2qf7 s GLU 297 N -2.33 1.22 -0.20 0.38 -1.05 -1.19 -4.98 118.70 110.54 2qf7 s GLU 297 Ca -0.14 -0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 54.07 2qf7 s GLU 297 Cb 0.04 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 2qf7 s GLU 297 CO 0.20 -0.54 0.08 0.08 0.95 0.00 0.00 175.26 176.03 2qf7 s VAL 298 N -3.54 4.80 -0.49 1.83 1.01 -1.26 -0.33 120.40 122.43 2qf7 s VAL 298 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2qf7 s VAL 298 Cb -0.02 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2qf7 s VAL 298 CO -0.07 0.42 0.80 0.20 0.00 0.00 0.00 175.10 176.45 2qf7 s ASN 299 N 0.72 6.36 -0.83 3.32 0.01 0.49 -4.89 114.94 120.13 2qf7 s ASN 299 Ca 0.04 -0.29 -0.06 0.00 -0.71 0.00 0.00 52.86 51.84 2qf7 s ASN 299 Cb -0.13 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2qf7 s ASN 299 CO 0.02 -0.99 2.94 -0.81 -1.51 0.00 0.00 177.10 176.74 2qf7 n PRO 300 N 6.84 3.16 -3.64 -0.60 -0.04 -1.26 -1.66 135.00 137.80 2qf7 n PRO 300 Ca 0.01 -2.25 -0.04 0.00 -0.04 0.00 0.00 63.50 61.18 2qf7 n PRO 300 Cb 0.48 -2.38 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 2qf7 n PRO 300 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2qf7 s ARG 301 N 0.01 0.80 0.75 0.54 1.70 -1.17 -4.57 118.95 117.02 2qf7 s ARG 301 Ca 0.62 -0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 55.35 2qf7 s ARG 301 Cb 0.27 0.31 0.05 0.00 -0.57 0.00 0.00 34.95 35.01 2qf7 s ARG 301 CO -0.10 -0.36 1.17 -1.50 -1.08 0.00 0.00 175.30 173.43 2qf7 s ILE 302 N -2.94 2.55 0.25 4.99 2.07 -1.26 -4.34 121.20 122.52 2qf7 s ILE 302 Ca 0.10 0.24 0.07 0.00 -1.41 0.00 0.00 60.65 59.65 2qf7 s ILE 302 Cb 0.00 -2.70 -0.05 0.00 0.13 0.00 0.00 42.46 39.84 2qf7 s ILE 302 CO -0.03 -0.17 -0.08 -1.10 -1.91 0.00 0.00 174.94 171.65 2qf7 s GLN 303 N -4.18 1.47 0.39 3.50 -0.21 -1.26 -4.56 119.66 114.82 2qf7 s GLN 303 Ca 0.70 -1.72 0.08 0.00 0.02 0.00 0.00 55.36 54.44 2qf7 s GLN 303 Cb -0.25 -1.11 0.80 0.00 1.00 0.00 0.00 33.01 33.45 2qf7 s GLN 303 CO 0.48 0.07 1.96 -0.24 -2.12 0.00 0.00 175.29 175.44 2qf7 h VAL 304 N 2.37 1.15 -0.23 1.09 3.04 -2.00 -1.81 116.25 119.86 2qf7 h VAL 304 Ca -0.39 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 2qf7 h VAL 304 Cb 1.23 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2qf7 h VAL 304 CO 0.65 0.19 0.00 -1.84 -1.01 0.00 0.00 177.57 175.57 2qf7 n GLU 305 N -4.35 1.69 0.14 4.17 0.00 -1.26 -4.06 120.64 116.97 2qf7 n GLU 305 Ca 0.01 -0.89 0.15 0.00 0.00 0.00 0.00 57.16 56.43 2qf7 n GLU 305 Cb 0.19 -1.29 0.71 0.00 0.00 0.00 0.00 31.44 31.05 2qf7 n GLU 305 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 2qf7 h HIS 306 N 1.38 0.00 -0.99 -1.84 2.07 -1.74 -3.08 115.15 110.96 2qf7 h HIS 306 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 2qf7 h HIS 306 Cb 0.45 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.35 2qf7 h HIS 306 CO 0.20 0.00 0.64 1.79 -3.07 0.00 0.00 177.93 177.48 2qf7 h THR 307 N 0.00 1.01 -0.57 6.12 1.35 -1.83 -2.13 112.91 116.86 2qf7 h THR 307 Ca 0.13 -0.37 -0.09 0.00 -0.55 0.00 0.00 66.41 65.53 2qf7 h THR 307 Cb 0.55 -0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 2qf7 h THR 307 CO -0.00 0.20 -0.00 -0.37 -0.25 0.00 0.00 175.52 175.10 2qf7 h VAL 308 N 1.08 1.26 -0.58 6.82 -1.51 -1.89 -2.16 116.25 119.27 2qf7 h VAL 308 Ca 0.46 -1.11 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 2qf7 h VAL 308 Cb 0.31 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.27 2qf7 h VAL 308 CO -0.21 0.40 0.27 0.74 -1.23 0.00 0.00 177.57 177.54 2qf7 h THR 309 N 0.90 1.21 -0.60 7.19 2.02 -1.57 -2.49 112.91 119.56 2qf7 h THR 309 Ca 0.16 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2qf7 h THR 309 Cb 0.53 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2qf7 h THR 309 CO 0.03 0.25 0.37 -0.33 0.37 0.00 0.00 175.52 176.20 2qf7 h GLU 310 N 0.78 0.82 0.00 6.66 5.08 -0.99 -1.44 114.58 125.49 2qf7 h GLU 310 Ca 0.20 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2qf7 h GLU 310 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2qf7 h GLU 310 CO -0.02 0.58 -0.66 -0.39 -1.00 0.00 0.00 179.01 177.51 2qf7 h VAL 311 N 0.82 1.44 0.00 3.13 -1.51 -1.24 0.91 116.25 119.80 2qf7 h VAL 311 Ca 0.22 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2qf7 h VAL 311 Cb -0.03 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2qf7 h VAL 311 CO -0.04 0.65 -0.60 -0.37 -1.23 0.00 0.00 177.57 175.98 2qf7 h VAL 312 N 0.00 0.00 0.00 7.19 -1.51 -1.31 -3.35 116.25 117.27 2qf7 h VAL 312 Ca -0.01 -0.79 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 2qf7 h VAL 312 Cb 1.20 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2qf7 h VAL 312 CO 0.09 0.00 -1.91 0.35 -1.23 0.00 0.00 177.57 174.87 2qf7 n THR 313 N -2.54 0.03 -1.00 7.19 -2.24 -0.56 0.10 114.28 115.27 2qf7 n THR 313 Ca 0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2qf7 n THR 313 Cb 0.50 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2qf7 n THR 313 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qf7 n GLY 314 N 1.40 0.44 3.43 3.38 0.00 0.31 -4.71 105.19 109.44 2qf7 n GLY 314 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2qf7 n GLY 314 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf7 s ILE 315 N -1.88 3.97 -0.48 -0.61 1.01 -1.22 -5.04 121.20 116.95 2qf7 s ILE 315 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2qf7 s ILE 315 Cb 0.00 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.67 2qf7 s ILE 315 CO 0.00 0.40 1.32 -0.62 0.00 0.00 0.00 174.94 176.04 2qf7 s ASP 316 N 1.24 6.38 0.27 3.58 -1.08 -1.26 -4.50 116.67 121.30 2qf7 s ASP 316 Ca 0.04 0.54 0.09 0.00 -0.52 0.00 0.00 52.55 52.70 2qf7 s ASP 316 Cb -0.15 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.11 2qf7 s ASP 316 CO 0.01 -1.45 1.61 0.40 0.52 0.00 0.00 175.17 176.26 2qf7 h ILE 317 N 6.36 1.43 -0.09 4.11 2.04 -1.95 -2.17 117.51 127.24 2qf7 h ILE 317 Ca -0.26 -2.07 -0.10 0.00 1.00 0.00 0.00 64.86 63.43 2qf7 h ILE 317 Cb 1.09 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2qf7 h ILE 317 CO 1.13 0.60 -0.35 0.58 0.00 0.00 0.00 178.15 180.10 2qf7 h VAL 318 N 0.04 1.40 -1.00 1.67 2.07 -1.97 -1.24 116.25 117.21 2qf7 h VAL 318 Ca -0.01 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.82 2qf7 h VAL 318 Cb 1.09 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 2qf7 h VAL 318 CO 0.08 0.50 0.66 0.11 0.02 0.00 0.00 177.57 178.94 2qf7 h LYS 319 N -0.07 1.30 -0.50 1.57 1.57 -1.90 -1.79 116.57 116.75 2qf7 h LYS 319 Ca -0.02 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2qf7 h LYS 319 Cb 0.99 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 2qf7 h LYS 319 CO 0.07 0.86 0.28 0.00 -0.57 0.00 0.00 179.45 180.10 2qf7 h ALA 320 N 1.38 0.64 -0.50 3.86 0.00 -1.32 -0.57 119.26 122.74 2qf7 h ALA 320 Ca 0.38 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.37 2qf7 h ALA 320 Cb -0.12 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2qf7 h ALA 320 CO -0.09 -0.03 0.11 1.96 0.00 0.00 0.00 179.25 181.20 2qf7 h GLN 321 N 0.56 0.24 0.18 0.00 4.20 -0.77 -0.29 115.11 119.23 2qf7 h GLN 321 Ca 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2qf7 h GLN 321 Cb 0.05 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2qf7 h GLN 321 CO -0.11 0.16 -0.09 0.82 -0.67 0.00 0.00 178.83 178.94 2qf7 h ILE 322 N 0.24 0.91 -0.92 2.54 2.04 -0.77 -1.29 117.51 120.25 2qf7 h ILE 322 Ca 0.25 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2qf7 h ILE 322 Cb 0.33 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2qf7 h ILE 322 CO -0.32 0.10 0.61 0.45 0.00 0.00 0.00 178.15 178.98 2qf7 h HIS 323 N -0.44 1.13 0.03 1.37 3.86 -1.05 0.07 115.15 120.13 2qf7 h HIS 323 Ca -0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2qf7 h HIS 323 Cb 0.34 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2qf7 h HIS 323 CO -0.01 0.67 -0.01 0.82 0.86 0.00 0.00 177.93 180.26 2qf7 h ILE 324 N 1.19 1.04 0.00 2.45 2.04 -0.90 -0.33 117.51 123.00 2qf7 h ILE 324 Ca 0.36 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2qf7 h ILE 324 Cb -0.03 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2qf7 h ILE 324 CO -0.10 0.06 -0.18 -0.07 0.00 0.00 0.00 178.15 177.86 2qf7 h LEU 325 N -0.14 0.00 0.00 1.44 4.07 -0.79 0.23 115.31 120.12 2qf7 h LEU 325 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qf7 h LEU 325 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2qf7 h LEU 325 CO 0.01 0.18 0.00 0.47 -1.08 0.00 0.00 178.44 178.02 2qf7 n ASP 326 N -3.58 0.00 0.00 -0.43 8.00 -0.03 -4.90 116.55 115.62 2qf7 n ASP 326 Ca -0.01 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2qf7 n ASP 326 Cb 0.32 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2qf7 n ASP 326 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qf7 n GLY 327 N -0.38 0.80 3.78 0.44 0.00 0.07 -4.96 105.19 104.94 2qf7 n GLY 327 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2qf7 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 328 N -2.01 2.61 -0.16 4.61 0.00 -0.18 -4.95 121.76 121.68 2qf7 s ALA 328 Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2qf7 s ALA 328 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2qf7 s ALA 328 CO 0.00 -0.97 0.35 0.00 0.00 0.00 0.00 175.76 175.15 2qf7 s ALA 329 N -2.10 3.55 0.27 0.00 0.00 -1.26 -4.62 121.76 117.60 2qf7 s ALA 329 Ca 0.69 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 2qf7 s ALA 329 Cb -0.21 -2.49 -0.12 0.00 0.00 0.00 0.00 23.12 20.30 2qf7 s ALA 329 CO 0.34 0.01 1.59 -0.89 0.00 0.00 0.00 175.76 176.80 2qf7 n ILE 330 N 3.72 0.84 0.00 0.00 5.41 -1.26 -1.99 119.36 126.07 2qf7 n ILE 330 Ca -0.10 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2qf7 n ILE 330 Cb 0.52 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2qf7 n ILE 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qf7 n GLY 331 N 2.45 2.56 3.89 7.39 0.00 -0.10 -4.86 105.19 116.51 2qf7 n GLY 331 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2qf7 n GLY 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qf7 s THR 332 N -2.35 5.25 0.50 2.61 -4.23 -0.84 -4.47 115.64 112.10 2qf7 s THR 332 Ca 0.00 0.08 0.24 0.00 -1.18 0.00 0.00 61.69 60.84 2qf7 s THR 332 Cb 0.00 -3.60 0.41 0.00 1.34 0.00 0.00 72.50 70.65 2qf7 s THR 332 CO 0.00 0.23 1.94 1.55 -0.54 0.00 0.00 174.62 177.80 2qf7 h PRO 333 N 3.48 0.11 0.00 3.99 0.13 -1.88 -0.74 132.00 137.09 2qf7 h PRO 333 Ca -0.48 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2qf7 h PRO 333 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2qf7 h PRO 333 CO 0.69 0.08 -0.17 1.96 -0.23 0.00 0.00 178.00 180.33 2qf7 h GLN 334 N 0.12 0.00 0.00 0.86 7.50 -1.94 -2.75 115.11 118.89 2qf7 h GLN 334 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 2qf7 h GLN 334 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.68 2qf7 h GLN 334 CO -0.04 0.17 0.00 0.66 -1.50 0.00 0.00 178.83 178.12 2qf7 h SER 335 N 0.00 0.00 0.00 1.46 4.64 -1.31 -3.47 113.55 114.87 2qf7 h SER 335 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qf7 h SER 335 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qf7 h SER 335 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2qf7 n GLY 336 N 1.02 0.54 3.05 -0.77 0.00 -1.04 -4.41 105.19 103.58 2qf7 n GLY 336 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2qf7 n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qf7 s VAL 337 N -2.39 1.50 0.69 1.61 1.01 -1.26 -4.63 120.40 116.93 2qf7 s VAL 337 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2qf7 s VAL 337 Cb 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2qf7 s VAL 337 CO 0.00 0.44 1.13 -2.84 0.00 0.00 0.00 175.10 173.83 2qf7 s PRO 338 N 1.01 2.55 0.83 2.72 0.02 -1.26 -0.92 135.00 139.94 2qf7 s PRO 338 Ca -0.06 1.47 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 2qf7 s PRO 338 Cb -0.15 -1.91 0.10 0.00 0.02 0.00 0.00 34.50 32.56 2qf7 s PRO 338 CO -0.02 -1.46 1.20 0.09 -0.33 0.00 0.00 177.00 176.48 2qf7 n ASN 339 N -2.62 0.92 -0.21 2.53 3.02 -1.26 -4.24 115.26 113.39 2qf7 n ASN 339 Ca 0.11 0.56 0.02 0.00 -0.03 0.00 0.00 54.58 55.24 2qf7 n ASN 339 Cb 0.52 -1.51 0.13 0.00 -0.61 0.00 0.00 39.78 38.31 2qf7 n ASN 339 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2qf7 h GLN 340 N -1.10 0.24 0.00 3.52 5.75 -1.95 -0.25 115.11 121.32 2qf7 h GLN 340 Ca -0.46 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2qf7 h GLN 340 Cb 1.29 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2qf7 h GLN 340 CO 0.45 0.16 0.12 1.05 -2.65 0.00 0.00 178.83 177.95 2qf7 h GLU 341 N 0.25 0.00 -0.19 1.69 9.09 -2.00 -1.51 114.58 121.91 2qf7 h GLU 341 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2qf7 h GLU 341 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 2qf7 h GLU 341 CO -0.45 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.36 2qf7 n ASP 342 N -2.77 2.72 -4.65 3.06 8.00 -0.12 -4.92 116.55 117.87 2qf7 n ASP 342 Ca -0.02 -1.80 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 2qf7 n ASP 342 Cb 0.17 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 2qf7 n ASP 342 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qf7 s ILE 343 N -1.26 5.11 0.10 0.53 1.01 -0.57 -4.93 121.20 121.18 2qf7 s ILE 343 Ca 0.25 0.92 -0.10 0.00 0.00 0.00 0.00 60.65 61.72 2qf7 s ILE 343 Cb 0.15 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2qf7 s ILE 343 CO 0.22 0.17 0.23 0.00 0.00 0.00 0.00 174.94 175.56 2qf7 s ARG 344 N 1.74 0.91 0.09 2.79 1.70 -1.26 -5.03 118.95 119.89 2qf7 s ARG 344 Ca 0.23 -0.94 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 2qf7 s ARG 344 Cb -0.15 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 2qf7 s ARG 344 CO 0.09 -0.31 0.74 -0.51 -1.08 0.00 0.00 175.30 174.23 2qf7 s LEU 345 N -2.86 4.51 -0.27 -1.89 1.43 -1.26 -4.37 118.68 113.97 2qf7 s LEU 345 Ca 0.06 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2qf7 s LEU 345 Cb 0.04 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 43.15 2qf7 s LEU 345 CO -0.10 0.13 0.08 0.21 0.23 0.00 0.00 176.35 176.90 2qf7 s ASN 346 N -0.61 3.65 0.46 2.29 2.47 0.12 -5.01 114.94 118.30 2qf7 s ASN 346 Ca 0.36 -1.35 0.00 0.00 0.42 0.00 0.00 52.86 52.29 2qf7 s ASN 346 Cb -0.21 -0.73 0.00 0.00 -1.45 0.00 0.00 41.25 38.86 2qf7 s ASN 346 CO 0.23 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 2qf7 n GLY 347 N 4.96 0.06 3.01 1.21 0.00 -1.26 -4.51 105.19 108.65 2qf7 n GLY 347 Ca -0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2qf7 n GLY 347 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qf7 s HIS 348 N 0.00 -0.07 0.06 1.61 3.76 0.34 -4.46 115.29 116.52 2qf7 s HIS 348 Ca 0.00 0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 2qf7 s HIS 348 Cb 0.00 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.67 2qf7 s HIS 348 CO 0.00 -0.11 0.02 0.00 -0.85 0.00 0.00 174.74 173.80 2qf7 s ALA 349 N -0.28 0.31 0.04 -1.40 0.00 0.84 -1.30 121.76 119.97 2qf7 s ALA 349 Ca -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2qf7 s ALA 349 Cb -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2qf7 s ALA 349 CO 0.00 -0.39 0.09 -0.48 0.00 0.00 0.00 175.76 174.99 2qf7 s LEU 350 N -2.80 1.83 -0.02 0.00 0.05 -0.63 -1.24 118.68 115.87 2qf7 s LEU 350 Ca 0.05 -0.58 0.04 0.00 0.05 0.00 0.00 54.13 53.69 2qf7 s LEU 350 Cb 0.06 0.60 -0.01 0.00 -2.05 0.00 0.00 46.19 44.79 2qf7 s LEU 350 CO -0.10 -0.53 -0.15 -1.58 -0.55 0.00 0.00 176.35 173.44 2qf7 s GLN 351 N -2.82 1.35 -0.06 1.48 0.74 -0.17 -0.97 119.66 119.21 2qf7 s GLN 351 Ca -0.03 -0.54 0.04 0.00 0.05 0.00 0.00 55.36 54.87 2qf7 s GLN 351 Cb 0.00 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.85 2qf7 s GLN 351 CO -0.06 0.29 -0.17 0.00 -0.55 0.00 0.00 175.29 174.80 2qf7 s ARG 353 N 0.30 3.93 -0.11 0.00 0.52 -1.26 -1.33 118.95 121.00 2qf7 s ARG 353 Ca -0.11 -0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 54.62 2qf7 s ARG 353 Cb -0.14 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 2qf7 s ARG 353 CO 0.04 -0.22 0.64 0.08 0.02 0.00 0.00 175.30 175.86 2qf7 s VAL 354 N 1.82 5.07 0.31 3.52 1.01 0.20 -4.99 120.40 127.33 2qf7 s VAL 354 Ca 0.09 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.38 2qf7 s VAL 354 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2qf7 s VAL 354 CO 0.11 0.23 0.13 0.42 0.00 0.00 0.00 175.10 175.98 2qf7 s THR 355 N 1.06 0.53 -1.70 3.92 -4.23 -1.26 0.59 115.64 114.55 2qf7 s THR 355 Ca 0.33 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.90 2qf7 s THR 355 Cb -0.17 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 71.33 2qf7 s THR 355 CO 0.14 0.00 1.10 0.35 -0.54 0.00 0.00 174.62 175.67 2qf7 n THR 356 N -0.61 0.44 -2.08 3.99 -2.24 -0.68 -1.86 114.28 111.25 2qf7 n THR 356 Ca -0.01 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 2qf7 n THR 356 Cb 0.65 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 2qf7 n THR 356 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qf7 s GLU 357 N -1.66 3.99 -0.46 -0.78 2.02 -1.26 0.09 118.70 120.64 2qf7 s GLU 357 Ca 0.16 1.91 -0.20 0.00 0.02 0.00 0.00 54.97 56.85 2qf7 s GLU 357 Cb 0.09 -4.00 0.03 0.00 0.10 0.00 0.00 34.13 30.36 2qf7 s GLU 357 CO 0.09 -1.06 0.64 0.34 0.02 0.00 0.00 175.26 175.29 2qf7 s ASP 358 N 3.73 6.28 0.11 -0.19 -1.08 -0.88 -2.55 116.67 122.10 2qf7 s ASP 358 Ca 0.71 -0.53 0.11 0.00 -0.52 0.00 0.00 52.55 52.32 2qf7 s ASP 358 Cb -0.29 -2.31 0.53 0.00 -1.46 0.00 0.00 42.92 39.40 2qf7 s ASP 358 CO 0.28 -0.83 1.34 -2.65 0.52 0.00 0.00 175.17 173.83 2qf7 n PRO 359 N 6.27 0.06 0.02 4.34 -0.02 -1.26 -0.28 135.00 144.13 2qf7 n PRO 359 Ca -0.03 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2qf7 n PRO 359 Cb 0.47 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2qf7 n PRO 359 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qf7 n GLU 360 N -1.78 0.17 -2.57 -0.52 2.13 -1.26 -4.31 120.64 112.50 2qf7 n GLU 360 Ca 0.00 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 2qf7 n GLU 360 Cb 0.07 -1.57 0.03 0.00 0.27 0.00 0.00 31.44 30.24 2qf7 n GLU 360 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2qf7 n HIS 361 N -1.79 1.91 -2.29 4.31 8.25 0.15 -4.98 115.22 120.78 2qf7 n HIS 361 Ca 0.03 -2.57 -0.17 0.00 -0.26 0.00 0.00 57.72 54.75 2qf7 n HIS 361 Cb 0.39 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 2qf7 n HIS 361 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qf7 n ASN 362 N -0.41 -5.04 -1.18 0.41 3.02 -1.11 -2.06 115.26 108.88 2qf7 n ASN 362 Ca 0.20 0.12 -0.15 0.00 -0.03 0.00 0.00 54.58 54.73 2qf7 n ASN 362 Cb 0.81 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 2qf7 n ASN 362 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qf7 n PHE 363 N -3.54 -0.08 -1.95 3.10 3.72 0.62 -4.95 117.46 114.39 2qf7 n PHE 363 Ca -0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 2qf7 n PHE 363 Cb 0.65 -2.64 -0.03 0.00 -0.94 0.00 0.00 39.48 36.52 2qf7 n PHE 363 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qf7 s ILE 364 N -2.56 2.92 0.29 4.37 1.01 -0.88 -4.23 121.20 122.12 2qf7 s ILE 364 Ca 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 2qf7 s ILE 364 Cb 0.00 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 2qf7 s ILE 364 CO 0.00 0.01 1.44 -2.84 0.00 0.00 0.00 174.94 173.55 2qf7 s PRO 365 N 2.03 4.25 0.71 2.79 0.02 -1.26 -2.06 135.00 141.47 2qf7 s PRO 365 Ca 0.72 2.36 -0.07 0.00 0.02 0.00 0.00 61.00 64.02 2qf7 s PRO 365 Cb -0.41 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.10 2qf7 s PRO 365 CO 0.32 -0.41 1.03 0.34 -0.33 0.00 0.00 177.00 177.94 2qf7 s ASP 366 N 0.13 4.84 0.24 2.53 2.15 0.11 -4.92 116.67 121.75 2qf7 s ASP 366 Ca 0.57 0.51 -0.18 0.00 0.43 0.00 0.00 52.55 53.88 2qf7 s ASP 366 Cb -0.43 -1.16 0.02 0.00 -0.30 0.00 0.00 42.92 41.05 2qf7 s ASP 366 CO 0.49 -1.60 0.59 -0.72 -0.17 0.00 0.00 175.17 173.76 2qf7 s TYR 367 N -3.27 -0.04 -2.78 -5.34 -0.85 -1.26 -4.83 117.35 98.99 2qf7 s TYR 367 Ca 0.60 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.80 2qf7 s TYR 367 Cb -0.11 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.69 2qf7 s TYR 367 CO 0.45 -1.05 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 2qf7 n GLY 368 N -0.40 0.73 3.73 5.49 0.00 -0.05 -4.89 105.19 109.81 2qf7 n GLY 368 Ca -0.06 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2qf7 n GLY 368 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qf7 s ARG 369 N -1.08 4.65 -0.29 1.61 3.52 -1.26 0.46 118.95 126.56 2qf7 s ARG 369 Ca 0.00 1.55 -0.27 0.00 -0.13 0.00 0.00 55.73 56.88 2qf7 s ARG 369 Cb 0.00 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2qf7 s ARG 369 CO 0.00 0.14 0.95 0.42 -0.81 0.00 0.00 175.30 176.01 2qf7 s ILE 370 N -0.01 4.66 -0.28 4.11 1.01 0.12 -4.11 121.20 126.69 2qf7 s ILE 370 Ca 0.48 1.59 0.22 0.00 0.00 0.00 0.00 60.65 62.94 2qf7 s ILE 370 Cb -0.26 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.01 2qf7 s ILE 370 CO 0.31 -0.32 1.19 0.71 0.00 0.00 0.00 174.94 176.83 2qf7 h THR 371 N 5.62 0.04 -2.35 2.92 1.35 -1.15 0.19 112.91 119.52 2qf7 h THR 371 Ca -0.22 -1.06 -0.06 0.00 -0.55 0.00 0.00 66.41 64.52 2qf7 h THR 371 Cb 1.07 1.67 -0.24 0.00 -1.73 0.00 0.00 68.15 68.93 2qf7 h THR 371 CO 0.96 0.02 -0.13 0.00 -0.25 0.00 0.00 175.52 176.13 2qf7 s ALA 372 N -3.30 -1.43 -0.16 6.62 0.00 -1.12 -4.68 121.76 117.70 2qf7 s ALA 372 Ca 0.01 1.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.79 2qf7 s ALA 372 Cb 0.08 -1.10 0.08 0.00 0.00 0.00 0.00 23.12 22.18 2qf7 s ALA 372 CO 0.76 -0.31 0.25 -0.47 0.00 0.00 0.00 175.76 175.99 2qf7 s TYR 373 N 1.20 -0.39 -0.10 0.00 5.04 -1.25 -0.20 117.35 121.66 2qf7 s TYR 373 Ca -0.07 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.24 2qf7 s TYR 373 Cb -0.06 -0.15 0.04 0.00 0.35 0.00 0.00 41.96 42.14 2qf7 s TYR 373 CO -0.12 -0.45 0.04 1.03 -1.34 0.00 0.00 175.55 174.72 2qf7 s ARG 374 N 2.39 0.28 0.90 4.97 0.52 0.12 -4.57 118.95 123.56 2qf7 s ARG 374 Ca 0.04 0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 55.19 2qf7 s ARG 374 Cb -0.13 -1.16 0.17 0.00 0.52 0.00 0.00 34.95 34.34 2qf7 s ARG 374 CO -0.10 -0.44 1.26 -1.54 0.02 0.00 0.00 175.30 174.50 2qf7 s SER 375 N 2.05 3.54 -0.02 0.23 1.04 -1.26 -1.39 113.70 117.89 2qf7 s SER 375 Ca 0.04 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.78 2qf7 s SER 375 Cb -0.14 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.52 2qf7 s SER 375 CO -0.06 -2.46 -0.01 0.00 0.98 0.00 0.00 173.24 171.69 2qf7 s ALA 376 N -3.74 0.26 0.00 5.32 0.00 -1.26 -4.79 121.76 117.54 2qf7 s ALA 376 Ca 0.71 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2qf7 s ALA 376 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2qf7 s ALA 376 CO 0.51 -0.03 0.00 0.43 0.00 0.00 0.00 175.76 176.67 2qf7 n SER 377 N 3.73 0.00 0.00 0.00 7.64 -1.26 -4.95 113.62 118.78 2qf7 n SER 377 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2qf7 n SER 377 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2qf7 n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf7 n GLY 378 N 4.00 -2.48 3.71 0.23 0.00 -1.26 -4.67 105.19 104.72 2qf7 n GLY 378 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2qf7 n GLY 378 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qf7 s PHE 379 N -0.32 3.01 0.00 1.61 5.36 -1.26 -2.75 117.98 123.63 2qf7 s PHE 379 Ca 0.00 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 2qf7 s PHE 379 Cb 0.00 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2qf7 s PHE 379 CO 0.00 -3.24 0.00 0.41 -1.46 0.00 0.00 175.22 170.93 2qf7 n GLY 380 N 3.73 0.79 3.60 13.12 0.00 -1.26 -4.95 105.19 120.22 2qf7 n GLY 380 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2qf7 n GLY 380 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf7 s ILE 381 N -3.01 4.95 -0.09 -0.61 -1.09 -1.11 -0.65 121.20 119.58 2qf7 s ILE 381 Ca 0.00 0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2qf7 s ILE 381 Cb 0.00 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2qf7 s ILE 381 CO 0.00 0.37 -0.11 -0.60 -1.23 0.00 0.00 174.94 173.37 2qf7 s ARG 382 N 1.04 3.01 -0.10 2.79 3.52 0.30 -4.72 118.95 124.78 2qf7 s ARG 382 Ca 0.06 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2qf7 s ARG 382 Cb -0.14 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 2qf7 s ARG 382 CO 0.04 0.44 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.37 2qf7 s LEU 383 N -0.24 2.99 -0.39 -0.88 1.43 -1.26 -1.13 118.68 119.21 2qf7 s LEU 383 Ca 0.02 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2qf7 s LEU 383 Cb -0.13 -1.66 0.11 0.00 0.03 0.00 0.00 46.19 44.54 2qf7 s LEU 383 CO 0.03 0.27 0.14 -1.81 0.23 0.00 0.00 176.35 175.21 2qf7 s ASP 384 N -0.25 4.24 0.00 2.29 1.01 -0.26 -4.99 116.67 118.70 2qf7 s ASP 384 Ca 0.03 -2.28 0.00 0.00 0.71 0.00 0.00 52.55 51.01 2qf7 s ASP 384 Cb -0.13 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.51 2qf7 s ASP 384 CO 0.03 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.68 2qf7 n GLY 385 N 4.05 2.92 1.60 0.21 0.00 -1.26 -1.26 105.19 111.45 2qf7 n GLY 385 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2qf7 n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf7 n GLY 386 N 0.69 0.75 0.05 -0.02 0.00 -1.26 -4.46 105.19 100.94 2qf7 n GLY 386 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qf7 n GLY 386 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qf7 n THR 387 N -2.34 0.68 -3.41 2.61 -2.24 -1.26 -4.75 114.28 103.57 2qf7 n THR 387 Ca 0.00 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 2qf7 n THR 387 Cb 0.00 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 2qf7 n THR 387 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qf7 s SER 388 N -4.31 6.69 0.07 3.42 0.01 -1.26 -4.74 113.70 113.59 2qf7 s SER 388 Ca -0.06 0.96 -0.27 0.00 1.31 0.00 0.00 55.95 57.89 2qf7 s SER 388 Cb 0.03 -2.24 0.08 0.00 0.21 0.00 0.00 66.02 64.10 2qf7 s SER 388 CO 0.39 0.01 0.89 -0.72 0.41 0.00 0.00 173.24 174.21 2qf7 s TYR 389 N -1.66 -0.28 0.11 2.43 -0.85 -1.26 -5.05 117.35 110.79 2qf7 s TYR 389 Ca 0.43 0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.75 2qf7 s TYR 389 Cb -0.13 0.58 -0.06 0.00 0.38 0.00 0.00 41.96 42.73 2qf7 s TYR 389 CO 0.20 -0.69 1.18 -1.54 -1.52 0.00 0.00 175.55 173.19 2qf7 s SER 390 N -2.68 7.11 0.00 -0.18 1.04 -1.26 -2.05 113.70 115.68 2qf7 s SER 390 Ca 0.07 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2qf7 s SER 390 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2qf7 s SER 390 CO -0.05 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2qf7 n GLY 391 N 2.80 2.74 3.68 7.32 0.00 0.67 -4.99 105.19 117.41 2qf7 n GLY 391 Ca 0.07 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2qf7 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 n ALA 392 N 0.00 1.09 -2.78 4.61 0.00 -0.87 -4.63 120.51 117.93 2qf7 n ALA 392 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 2qf7 n ALA 392 Cb 0.00 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.11 2qf7 n ALA 392 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qf7 s ILE 393 N -1.12 4.93 -0.18 0.00 1.09 -1.26 0.11 121.20 124.77 2qf7 s ILE 393 Ca 0.57 0.04 -0.21 0.00 -1.10 0.00 0.00 60.65 59.95 2qf7 s ILE 393 Cb -0.57 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 2qf7 s ILE 393 CO 0.61 0.30 0.63 -0.63 -0.10 0.00 0.00 174.94 175.76 2qf7 s ILE 394 N 1.55 5.03 0.52 2.92 -1.09 0.17 -4.91 121.20 125.39 2qf7 s ILE 394 Ca 0.07 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 2qf7 s ILE 394 Cb -0.15 -3.95 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2qf7 s ILE 394 CO 0.07 0.14 0.71 0.42 -1.23 0.00 0.00 174.94 175.05 2qf7 s THR 395 N 1.70 2.69 -1.90 2.92 -4.23 -1.26 -0.87 115.64 114.68 2qf7 s THR 395 Ca 0.30 -0.83 0.20 0.00 -1.18 0.00 0.00 61.69 60.17 2qf7 s THR 395 Cb -0.16 -2.86 0.59 0.00 1.34 0.00 0.00 72.50 71.42 2qf7 s THR 395 CO 0.11 0.00 1.49 -1.14 -0.54 0.00 0.00 174.62 174.55 2qf7 n ARG 396 N -2.18 2.64 0.16 3.99 0.00 -1.26 -4.54 116.66 115.47 2qf7 n ARG 396 Ca 0.10 -2.40 0.03 0.00 -0.00 0.00 0.00 57.85 55.57 2qf7 n ARG 396 Cb 0.60 -1.55 0.20 0.00 0.00 0.00 0.00 32.46 31.71 2qf7 n ARG 396 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 2qf7 h TYR 397 N 3.84 0.00 -2.59 -0.14 0.05 -2.00 -3.47 116.97 112.67 2qf7 h TYR 397 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 2qf7 h TYR 397 Cb 0.94 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.55 2qf7 h TYR 397 CO 0.47 0.50 -0.52 0.71 -1.05 0.00 0.00 178.16 178.28 2qf7 s TYR 398 N -3.37 1.79 0.38 4.88 2.02 -1.26 -4.76 117.35 117.03 2qf7 s TYR 398 Ca 0.01 -1.27 -0.27 0.00 -0.37 0.00 0.00 57.07 55.17 2qf7 s TYR 398 Cb 0.10 -1.17 -0.10 0.00 -0.40 0.00 0.00 41.96 40.39 2qf7 s TYR 398 CO 0.72 -0.28 1.39 0.16 -1.57 0.00 0.00 175.55 175.97 2qf7 s ASP 399 N -3.61 6.37 -0.17 2.29 1.47 -1.26 -4.90 116.67 116.86 2qf7 s ASP 399 Ca 0.24 2.84 -0.00 0.00 1.18 0.00 0.00 52.55 56.81 2qf7 s ASP 399 Cb 0.03 -2.65 0.12 0.00 -0.34 0.00 0.00 42.92 40.07 2qf7 s ASP 399 CO 0.14 -0.83 1.94 -0.81 0.68 0.00 0.00 175.17 176.29 2qf7 n PRO 400 N 0.36 1.42 -2.20 2.11 -0.04 -1.26 -4.93 135.00 130.46 2qf7 n PRO 400 Ca 0.02 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.23 2qf7 n PRO 400 Cb 0.41 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2qf7 n PRO 400 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qf7 s LEU 401 N -0.96 4.39 -0.23 1.53 0.20 -1.26 -1.68 118.68 120.67 2qf7 s LEU 401 Ca 0.16 2.36 0.04 0.00 0.69 0.00 0.00 54.13 57.39 2qf7 s LEU 401 Cb 0.13 -3.60 -0.20 0.00 -0.43 0.00 0.00 46.19 42.09 2qf7 s LEU 401 CO 0.00 -0.59 -0.08 0.18 -0.29 0.00 0.00 176.35 175.57 2qf7 n LEU 402 N 3.24 2.41 -3.63 -0.68 4.77 0.20 -4.93 117.00 118.38 2qf7 n LEU 402 Ca 0.09 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2qf7 n LEU 402 Cb 0.43 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 2qf7 n LEU 402 CO 0.58 0.85 1.05 0.54 -1.33 0.00 0.00 177.39 179.08 2qf7 s VAL 403 N -2.52 0.00 -0.19 4.08 0.11 -1.10 -4.09 120.40 116.69 2qf7 s VAL 403 Ca -0.29 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2qf7 s VAL 403 Cb 0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2qf7 s VAL 403 CO 0.66 0.00 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.88 2qf7 s LYS 404 N -0.65 3.64 -0.14 1.54 1.02 -0.39 -0.63 119.74 124.13 2qf7 s LYS 404 Ca 0.06 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 2qf7 s LYS 404 Cb -0.02 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2qf7 s LYS 404 CO -0.08 0.09 -0.07 0.08 -0.92 0.00 0.00 175.35 174.45 2qf7 s VAL 405 N 0.79 3.64 -0.09 3.17 1.01 -0.44 -1.11 120.40 127.36 2qf7 s VAL 405 Ca -0.00 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2qf7 s VAL 405 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2qf7 s VAL 405 CO 0.02 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 2qf7 s THR 406 N 0.20 1.87 -0.01 3.92 2.01 -0.28 -1.10 115.64 122.25 2qf7 s THR 406 Ca -0.04 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2qf7 s THR 406 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 2qf7 s THR 406 CO 0.04 0.52 -0.25 0.00 -0.69 0.00 0.00 174.62 174.23 2qf7 s ALA 407 N 0.43 2.21 0.03 7.40 0.00 -0.14 -0.54 121.76 131.15 2qf7 s ALA 407 Ca -0.17 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.70 2qf7 s ALA 407 Cb -0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2qf7 s ALA 407 CO 0.07 0.53 -0.18 -0.46 0.00 0.00 0.00 175.76 175.72 2qf7 s TRP 408 N -0.66 1.60 0.24 0.00 -0.00 0.17 -1.60 118.94 118.69 2qf7 s TRP 408 Ca 0.11 -0.35 -0.16 0.00 -0.00 0.00 0.00 56.10 55.69 2qf7 s TRP 408 Cb -0.10 -0.97 0.01 0.00 -0.00 0.00 0.00 33.47 32.41 2qf7 s TRP 408 CO -0.00 0.05 0.56 0.00 -0.00 0.00 0.00 176.95 177.56 2qf7 s ALA 409 N -0.71 -0.71 0.58 5.86 0.00 -0.42 -4.68 121.76 121.68 2qf7 s ALA 409 Ca 0.06 -0.55 0.28 0.00 0.00 0.00 0.00 51.96 51.75 2qf7 s ALA 409 Cb -0.08 0.95 1.70 0.00 0.00 0.00 0.00 23.12 25.69 2qf7 s ALA 409 CO 0.01 -0.90 2.19 -1.35 0.00 0.00 0.00 175.76 175.71 2qf7 h PRO 410 N 2.17 0.00 -4.54 0.00 0.11 -1.93 0.97 132.00 128.78 2qf7 h PRO 410 Ca -0.25 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.63 2qf7 h PRO 410 Cb 1.25 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.18 2qf7 h PRO 410 CO 0.32 0.00 -0.71 -0.80 -0.21 0.00 0.00 178.00 176.60 2qf7 s ASN 411 N -6.12 0.92 0.18 -2.05 0.01 -1.26 -4.40 114.94 102.23 2qf7 s ASN 411 Ca -0.05 -0.79 -0.07 0.00 -0.71 0.00 0.00 52.86 51.24 2qf7 s ASN 411 Cb 0.15 0.08 0.09 0.00 0.41 0.00 0.00 41.25 41.98 2qf7 s ASN 411 CO 0.56 -0.36 1.58 1.55 -1.51 0.00 0.00 177.10 178.92 2qf7 h PRO 412 N 3.70 0.89 -0.72 -0.60 0.13 -1.91 -2.45 132.00 131.03 2qf7 h PRO 412 Ca -0.35 -0.38 -0.04 0.00 -0.87 0.00 0.00 66.00 64.36 2qf7 h PRO 412 Cb 1.18 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2qf7 h PRO 412 CO 0.54 1.03 0.28 -0.07 -0.23 0.00 0.00 178.00 179.54 2qf7 h LEU 413 N 0.76 0.99 -0.73 1.56 3.38 -1.98 -1.53 115.31 117.77 2qf7 h LEU 413 Ca 0.10 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qf7 h LEU 413 Cb 0.79 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2qf7 h LEU 413 CO 0.07 0.89 0.07 -0.08 0.09 0.00 0.00 178.44 179.48 2qf7 h GLU 414 N 1.05 1.04 -0.82 1.13 4.81 -1.95 -1.55 114.58 118.30 2qf7 h GLU 414 Ca 0.24 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2qf7 h GLU 414 Cb 0.22 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2qf7 h GLU 414 CO -0.02 0.98 0.39 0.00 -0.73 0.00 0.00 179.01 179.63 2qf7 h ALA 415 N 1.09 1.15 -0.12 2.92 0.00 -1.02 -0.95 119.26 122.35 2qf7 h ALA 415 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qf7 h ALA 415 Cb 0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qf7 h ALA 415 CO 0.02 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.73 2qf7 h ILE 416 N 1.16 0.92 0.00 0.00 2.04 -1.08 -0.30 117.51 120.25 2qf7 h ILE 416 Ca 0.28 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 2qf7 h ILE 416 Cb 0.11 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2qf7 h ILE 416 CO -0.04 0.01 -0.12 0.77 0.00 0.00 0.00 178.15 178.77 2qf7 h SER 417 N 0.04 0.00 -0.04 1.72 4.64 -0.72 -0.15 113.55 119.04 2qf7 h SER 417 Ca 0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2qf7 h SER 417 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2qf7 h SER 417 CO -0.09 0.12 -0.28 -0.09 -0.87 0.00 0.00 176.83 175.61 2qf7 h ARG 418 N 0.00 0.25 -0.27 4.77 2.43 -0.77 -2.05 114.38 118.75 2qf7 h ARG 418 Ca -0.00 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2qf7 h ARG 418 Cb 0.22 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2qf7 h ARG 418 CO 0.02 0.90 -0.12 1.98 -1.51 0.00 0.00 179.97 181.24 2qf7 h MET 419 N -0.31 -0.07 -0.38 0.20 4.05 -0.89 -2.04 114.93 115.48 2qf7 h MET 419 Ca -0.03 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 2qf7 h MET 419 Cb 0.97 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.74 2qf7 h MET 419 CO 0.06 -0.05 0.08 0.22 0.23 0.00 0.00 176.91 177.45 2qf7 h ASP 420 N -0.08 0.02 -0.43 1.39 3.58 -1.04 0.73 116.42 120.60 2qf7 h ASP 420 Ca 0.14 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.68 2qf7 h ASP 420 Cb 0.29 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2qf7 h ASP 420 CO -0.32 0.05 0.22 -0.09 -2.88 0.00 0.00 179.24 176.22 2qf7 h ARG 421 N 0.21 0.43 -0.27 0.28 1.12 -1.23 -1.38 114.38 113.55 2qf7 h ARG 421 Ca 0.18 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.98 2qf7 h ARG 421 Cb 0.21 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2qf7 h ARG 421 CO -0.23 0.28 -0.00 0.00 -3.11 0.00 0.00 179.97 176.91 2qf7 h ALA 422 N 1.22 0.36 -0.89 2.80 0.00 -0.92 -1.56 119.26 120.28 2qf7 h ALA 422 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2qf7 h ALA 422 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2qf7 h ALA 422 CO -0.12 0.10 0.47 -0.07 0.00 0.00 0.00 179.25 179.62 2qf7 h LEU 423 N 0.25 1.12 -0.96 0.00 3.38 -0.77 -1.07 115.31 117.26 2qf7 h LEU 423 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qf7 h LEU 423 Cb 0.43 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qf7 h LEU 423 CO 0.01 0.91 0.00 0.03 0.09 0.00 0.00 178.44 179.48 2qf7 h ARG 424 N 1.25 0.00 0.00 1.13 3.08 -1.09 -3.21 114.38 115.54 2qf7 h ARG 424 Ca 0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 2qf7 h ARG 424 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2qf7 h ARG 424 CO -0.05 0.00 -1.55 -1.91 -1.07 0.00 0.00 179.97 175.39 2qf7 n GLU 425 N -2.88 0.63 -1.54 0.04 2.13 -0.60 -4.89 120.64 113.53 2qf7 n GLU 425 Ca 0.02 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.61 2qf7 n GLU 425 Cb 0.34 -1.77 0.01 0.00 0.27 0.00 0.00 31.44 30.29 2qf7 n GLU 425 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2qf7 n PHE 426 N -2.86 0.47 -3.90 4.31 3.01 -0.50 -4.83 117.46 113.16 2qf7 n PHE 426 Ca -0.12 0.60 -0.27 0.00 1.01 0.00 0.00 57.45 58.67 2qf7 n PHE 426 Cb 0.88 -2.13 -0.17 0.00 -0.01 0.00 0.00 39.48 38.05 2qf7 n PHE 426 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2qf7 s ARG 427 N -1.80 1.47 -0.08 -1.08 1.81 -0.48 -5.01 118.95 113.78 2qf7 s ARG 427 Ca 0.63 -0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.37 2qf7 s ARG 427 Cb -0.60 -1.62 0.02 0.00 -0.45 0.00 0.00 34.95 32.31 2qf7 s ARG 427 CO 0.57 -0.29 -0.04 0.42 -0.68 0.00 0.00 175.30 175.27 2qf7 s ILE 428 N 1.71 0.68 0.13 1.52 1.01 -1.26 -0.70 121.20 124.29 2qf7 s ILE 428 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.64 2qf7 s ILE 428 Cb -0.13 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2qf7 s ILE 428 CO -0.08 0.29 -0.15 -0.13 0.00 0.00 0.00 174.94 174.87 2qf7 s ARG 429 N 1.50 1.09 0.00 2.79 0.52 0.72 -4.83 118.95 120.75 2qf7 s ARG 429 Ca -0.01 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 2qf7 s ARG 429 Cb -0.13 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.33 2qf7 s ARG 429 CO -0.04 0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2qf7 n GLY 430 N 0.45 3.03 3.40 -3.53 0.00 -1.26 -0.57 105.19 106.70 2qf7 n GLY 430 Ca -0.15 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2qf7 n GLY 430 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qf7 s VAL 431 N -0.99 2.38 0.74 1.61 -7.23 -1.26 -4.71 120.40 110.94 2qf7 s VAL 431 Ca 0.00 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2qf7 s VAL 431 Cb 0.00 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 34.97 2qf7 s VAL 431 CO 0.00 0.21 1.19 0.00 -0.31 0.00 0.00 175.10 176.18 2qf7 s ALA 432 N -0.98 2.09 0.21 1.32 0.00 -1.26 -5.01 121.76 118.13 2qf7 s ALA 432 Ca 0.14 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2qf7 s ALA 432 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2qf7 s ALA 432 CO 0.05 -1.91 0.10 0.95 0.00 0.00 0.00 175.76 174.95 2qf7 s THR 433 N -2.13 0.29 -1.36 0.00 -4.23 -1.26 -4.26 115.64 102.69 2qf7 s THR 433 Ca 0.72 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.32 2qf7 s THR 433 Cb -0.27 -2.46 0.32 0.00 1.34 0.00 0.00 72.50 71.43 2qf7 s THR 433 CO 0.47 -0.10 1.14 -0.46 -0.54 0.00 0.00 174.62 175.12 2qf7 n ASN 434 N -0.32 2.35 -0.28 3.99 6.94 -0.77 -4.49 115.26 122.67 2qf7 n ASN 434 Ca -0.00 -2.19 0.05 0.00 -0.02 0.00 0.00 54.58 52.41 2qf7 n ASN 434 Cb 0.66 -0.39 0.19 0.00 -2.36 0.00 0.00 39.78 37.88 2qf7 n ASN 434 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2qf7 h LEU 435 N 1.80 0.51 -1.16 -4.53 3.38 -1.88 -1.60 115.31 111.83 2qf7 h LEU 435 Ca 0.00 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2qf7 h LEU 435 Cb 0.77 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2qf7 h LEU 435 CO 0.10 0.24 -0.30 0.71 0.09 0.00 0.00 178.44 179.29 2qf7 h THR 436 N 0.62 1.26 -0.14 0.22 1.35 -1.97 -0.71 112.91 113.53 2qf7 h THR 436 Ca 0.42 -1.21 -0.14 0.00 -0.55 0.00 0.00 66.41 64.93 2qf7 h THR 436 Cb 0.54 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2qf7 h THR 436 CO -0.33 0.36 -0.46 0.15 -0.25 0.00 0.00 175.52 175.00 2qf7 h PHE 437 N 0.18 0.74 -0.25 4.73 3.57 -1.64 -0.70 116.94 123.56 2qf7 h PHE 437 Ca 0.03 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.24 2qf7 h PHE 437 Cb 0.63 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2qf7 h PHE 437 CO 0.01 1.07 0.15 -0.07 -2.23 0.00 0.00 178.31 177.23 2qf7 h LEU 438 N 0.20 0.24 -0.70 0.59 3.38 -1.16 -1.19 115.31 116.66 2qf7 h LEU 438 Ca -0.02 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2qf7 h LEU 438 Cb 1.09 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2qf7 h LEU 438 CO 0.10 0.18 0.27 -0.33 0.09 0.00 0.00 178.44 178.75 2qf7 h GLU 439 N 0.30 0.42 -0.52 1.13 5.08 -1.09 -2.47 114.58 117.43 2qf7 h GLU 439 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2qf7 h GLU 439 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2qf7 h GLU 439 CO -0.05 0.28 0.24 0.00 -1.00 0.00 0.00 179.01 178.49 2qf7 h ALA 440 N 1.50 0.68 0.32 3.43 0.00 -0.55 -1.48 119.26 123.15 2qf7 h ALA 440 Ca 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2qf7 h ALA 440 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qf7 h ALA 440 CO -0.37 0.25 -0.18 0.82 0.00 0.00 0.00 179.25 179.77 2qf7 h ILE 441 N 0.70 0.62 0.00 0.00 2.04 -1.00 -2.70 117.51 117.17 2qf7 h ILE 441 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2qf7 h ILE 441 Cb 0.14 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2qf7 h ILE 441 CO -0.02 0.00 0.00 0.16 0.00 0.00 0.00 178.15 178.29 2qf7 h ILE 442 N -0.47 0.00 -0.00 -0.67 3.07 -1.40 -2.41 117.51 115.63 2qf7 h ILE 442 Ca -0.04 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.79 2qf7 h ILE 442 Cb 0.38 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 2qf7 h ILE 442 CO 0.05 0.00 -0.05 0.61 -1.05 0.00 0.00 178.15 177.70 2qf7 n GLY 443 N 0.68 -0.89 3.78 0.16 0.00 -0.56 -4.65 105.19 103.71 2qf7 n GLY 443 Ca 0.03 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2qf7 n GLY 443 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qf7 s HIS 444 N -2.30 3.81 0.34 1.61 5.04 -0.91 -4.97 115.29 117.91 2qf7 s HIS 444 Ca 0.35 1.41 0.09 0.00 -1.54 0.00 0.00 55.06 55.37 2qf7 s HIS 444 Cb 0.21 -2.66 0.82 0.00 0.04 0.00 0.00 32.58 30.99 2qf7 s HIS 444 CO 0.43 0.47 1.82 -1.35 -2.34 0.00 0.00 174.74 173.76 2qf7 h PRO 445 N 4.86 0.67 -0.01 2.88 0.11 -1.91 -0.11 132.00 138.50 2qf7 h PRO 445 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2qf7 h PRO 445 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2qf7 h PRO 445 CO 0.67 0.44 -0.43 0.87 -0.21 0.00 0.00 178.00 179.34 2qf7 h LYS 446 N 0.69 0.01 -0.20 1.05 1.57 -1.93 -2.03 116.57 115.73 2qf7 h LYS 446 Ca 0.52 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 59.14 2qf7 h LYS 446 Cb 0.90 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2qf7 h LYS 446 CO -0.28 0.44 -0.49 0.35 -0.57 0.00 0.00 179.45 178.90 2qf7 h PHE 447 N 0.01 0.89 -0.21 -1.35 3.57 -1.32 -1.80 116.94 116.73 2qf7 h PHE 447 Ca -0.00 -0.34 -0.06 0.00 3.53 0.00 0.00 57.97 61.10 2qf7 h PHE 447 Cb 0.77 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2qf7 h PHE 447 CO 0.00 1.13 -0.14 0.00 -2.23 0.00 0.00 178.31 177.06 2qf7 h ARG 448 N 0.40 0.35 -0.51 1.11 3.08 -0.96 -2.91 114.38 114.94 2qf7 h ARG 448 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2qf7 h ARG 448 Cb 1.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2qf7 h ARG 448 CO 0.11 0.49 0.00 -0.40 -1.07 0.00 0.00 179.97 179.10 2qf7 n ASP 449 N -4.23 3.64 -2.32 7.04 5.75 -0.78 -4.93 116.55 120.72 2qf7 n ASP 449 Ca -0.00 -2.17 -0.21 0.00 -0.01 0.00 0.00 54.79 52.40 2qf7 n ASP 449 Cb 0.31 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 2qf7 n ASP 449 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2qf7 n ASN 450 N 0.86 -5.86 -1.10 -1.12 3.02 -0.83 -4.86 115.26 105.38 2qf7 n ASN 450 Ca 0.19 0.01 0.12 0.00 -0.03 0.00 0.00 54.58 54.87 2qf7 n ASN 450 Cb 0.61 -4.88 0.20 0.00 -0.61 0.00 0.00 39.78 35.09 2qf7 n ASN 450 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2qf7 n SER 451 N -1.92 3.32 -4.82 6.41 3.41 -0.74 -4.81 113.62 114.47 2qf7 n SER 451 Ca -0.24 -1.99 -0.32 0.00 -0.26 0.00 0.00 58.87 56.06 2qf7 n SER 451 Cb 0.69 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2qf7 n SER 451 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2qf7 s TYR 452 N -1.61 3.16 0.53 7.33 -0.85 -1.23 -5.05 117.35 119.63 2qf7 s TYR 452 Ca 0.37 1.45 0.01 0.00 -0.52 0.00 0.00 57.07 58.38 2qf7 s TYR 452 Cb 0.22 -2.91 0.01 0.00 0.38 0.00 0.00 41.96 39.66 2qf7 s TYR 452 CO 0.31 -1.00 0.05 0.25 -1.52 0.00 0.00 175.55 173.64 2qf7 n THR 453 N -2.40 0.00 0.09 -3.49 -2.24 -1.26 -4.89 114.28 100.09 2qf7 n THR 453 Ca 0.08 -2.45 0.04 0.00 -2.27 0.00 0.00 64.05 59.45 2qf7 n THR 453 Cb 0.53 0.44 0.23 0.00 -2.10 0.00 0.00 70.33 69.43 2qf7 n THR 453 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qf7 n THR 454 N -1.37 1.59 1.11 4.28 -2.24 -0.42 -1.41 114.28 115.83 2qf7 n THR 454 Ca -0.20 0.56 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 2qf7 n THR 454 Cb 0.66 -1.54 0.22 0.00 -2.10 0.00 0.00 70.33 67.57 2qf7 n THR 454 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qf7 n ARG 455 N -1.78 2.15 0.17 -0.78 1.74 -1.26 -4.58 116.66 112.32 2qf7 n ARG 455 Ca -0.00 -1.68 -0.15 0.00 -0.77 0.00 0.00 57.85 55.25 2qf7 n ARG 455 Cb 0.03 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 2qf7 n ARG 455 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2qf7 h PHE 456 N 4.04 -1.13 -0.40 -1.55 3.57 -1.54 -1.27 116.94 118.67 2qf7 h PHE 456 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2qf7 h PHE 456 Cb 0.86 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2qf7 h PHE 456 CO 0.01 -0.53 0.21 0.82 -2.23 0.00 0.00 178.31 176.59 2qf7 h ILE 457 N -0.72 1.16 0.00 1.41 2.04 -1.83 -2.21 117.51 117.36 2qf7 h ILE 457 Ca -0.00 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2qf7 h ILE 457 Cb 0.70 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2qf7 h ILE 457 CO -0.16 0.17 -0.01 0.44 0.00 0.00 0.00 178.15 178.58 2qf7 h ASP 458 N 0.51 0.00 -0.19 1.72 3.32 -1.72 -2.53 116.42 117.54 2qf7 h ASP 458 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2qf7 h ASP 458 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2qf7 h ASP 458 CO -0.02 0.01 0.00 0.35 -1.72 0.00 0.00 179.24 177.86 2qf7 n THR 459 N -3.11 2.08 -3.76 0.35 -2.24 -0.50 -4.89 114.28 102.21 2qf7 n THR 459 Ca 0.00 -1.92 -0.30 0.00 -2.27 0.00 0.00 64.05 59.56 2qf7 n THR 459 Cb 0.28 -0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 2qf7 n THR 459 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qf7 s THR 460 N -2.70 1.62 0.28 4.28 2.01 -0.86 -5.00 115.64 115.26 2qf7 s THR 460 Ca 0.37 -2.69 0.07 0.00 0.31 0.00 0.00 61.69 59.75 2qf7 s THR 460 Cb 0.31 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.70 2qf7 s THR 460 CO 0.07 -0.88 1.66 -0.65 -0.69 0.00 0.00 174.62 174.14 2qf7 h PRO 461 N 6.69 0.20 -0.15 4.92 0.11 -1.90 -2.95 132.00 138.92 2qf7 h PRO 461 Ca -0.02 -0.11 0.04 0.00 0.11 0.00 0.00 66.00 66.02 2qf7 h PRO 461 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2qf7 h PRO 461 CO 0.52 0.64 0.24 1.05 -0.21 0.00 0.00 178.00 180.24 2qf7 h GLU 462 N 0.17 0.00 0.00 1.05 9.09 -1.97 0.34 114.58 123.25 2qf7 h GLU 462 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.41 2qf7 h GLU 462 Cb 0.91 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.00 2qf7 h GLU 462 CO 0.07 0.00 -0.03 -0.07 0.05 0.00 0.00 179.01 179.03 2qf7 h LEU 463 N 0.00 0.00 -1.53 3.06 3.38 -1.89 -2.69 115.31 115.64 2qf7 h LEU 463 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qf7 h LEU 463 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2qf7 h LEU 463 CO -0.00 0.03 -0.14 0.49 0.09 0.00 0.00 178.44 178.91 2qf7 n PHE 464 N -3.27 0.00 -1.68 1.13 3.01 0.12 -4.82 117.46 111.95 2qf7 n PHE 464 Ca -0.02 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.98 2qf7 n PHE 464 Cb 0.19 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 2qf7 n PHE 464 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2qf7 n GLN 465 N 0.79 2.23 -1.97 -1.08 6.02 -1.02 -4.90 117.38 117.44 2qf7 n GLN 465 Ca 0.13 0.81 -0.40 0.00 -0.01 0.00 0.00 57.00 57.54 2qf7 n GLN 465 Cb 0.53 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.18 2qf7 n GLN 465 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2qf7 s GLN 466 N 2.11 3.87 -0.18 -1.09 -1.52 -1.26 -4.98 119.66 116.60 2qf7 s GLN 466 Ca 0.84 2.23 -0.18 0.00 -1.95 0.00 0.00 55.36 56.30 2qf7 s GLN 466 Cb -0.66 -2.71 -0.21 0.00 -0.22 0.00 0.00 33.01 29.20 2qf7 s GLN 466 CO 0.42 -0.60 0.28 0.28 -0.25 0.00 0.00 175.29 175.42 2qf7 h VAL 467 N 2.40 0.88 -5.28 1.09 2.07 -1.99 -3.51 116.25 111.91 2qf7 h VAL 467 Ca -0.50 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 64.79 2qf7 h VAL 467 Cb 1.25 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 33.30 2qf7 h VAL 467 CO 0.62 0.47 -1.20 2.29 0.02 0.00 0.00 177.57 179.77 2qf7 n LYS 468 N -4.19 -3.60 -2.88 1.57 0.00 -1.26 -5.03 118.16 102.76 2qf7 n LYS 468 Ca -0.31 2.83 -0.33 0.00 -0.00 0.00 0.00 58.31 60.50 2qf7 n LYS 468 Cb 0.77 -4.44 -0.07 0.00 -0.00 0.00 0.00 35.03 31.29 2qf7 n LYS 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qf7 s ARG 469 N -0.94 4.21 0.08 -1.58 0.52 -1.26 -4.99 118.95 114.99 2qf7 s ARG 469 Ca -0.15 1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 55.92 2qf7 s ARG 469 Cb 0.01 -2.29 -0.10 0.00 0.52 0.00 0.00 34.95 33.10 2qf7 s ARG 469 CO 0.65 0.04 1.52 1.96 0.02 0.00 0.00 175.30 179.49 2qf7 h GLN 470 N 2.10 0.36 -5.18 3.54 4.20 -2.06 -3.46 115.11 114.59 2qf7 h GLN 470 Ca -0.49 -0.11 -0.41 0.00 0.06 0.00 0.00 58.65 57.71 2qf7 h GLN 470 Cb 1.18 -0.04 0.09 0.00 0.30 0.00 0.00 27.48 29.02 2qf7 h GLN 470 CO 0.62 0.54 -0.65 -3.47 -0.67 0.00 0.00 178.83 175.21 2qf7 n ASP 471 N -4.70 -6.19 -0.29 1.46 2.03 -1.26 -4.89 116.55 102.71 2qf7 n ASP 471 Ca -0.04 -0.42 -0.01 0.00 0.52 0.00 0.00 54.79 54.84 2qf7 n ASP 471 Cb 0.22 -4.93 0.12 0.00 -0.72 0.00 0.00 41.12 35.80 2qf7 n ASP 471 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2qf7 h ARG 472 N -2.02 0.93 -0.42 -0.67 3.08 -1.99 -2.75 114.38 110.55 2qf7 h ARG 472 Ca -0.55 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.34 2qf7 h ARG 472 Cb 1.37 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2qf7 h ARG 472 CO 0.57 0.62 -0.13 0.00 -1.07 0.00 0.00 179.97 179.96 2qf7 h ALA 473 N 1.37 0.57 -0.83 0.04 0.00 -1.98 -1.66 119.26 116.78 2qf7 h ALA 473 Ca 0.34 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qf7 h ALA 473 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2qf7 h ALA 473 CO -0.15 0.48 0.55 1.15 0.00 0.00 0.00 179.25 181.28 2qf7 h THR 474 N 0.64 1.19 -0.74 0.00 2.02 -1.92 -1.12 112.91 112.98 2qf7 h THR 474 Ca 0.10 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 2qf7 h THR 474 Cb 0.67 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2qf7 h THR 474 CO 0.05 0.20 0.22 0.11 0.37 0.00 0.00 175.52 176.47 2qf7 h LYS 475 N 1.10 1.15 -0.71 6.66 1.57 -1.22 -1.44 116.57 123.68 2qf7 h LYS 475 Ca 0.31 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2qf7 h LYS 475 Cb -0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2qf7 h LYS 475 CO -0.08 0.99 0.17 -0.07 -0.57 0.00 0.00 179.45 179.89 2qf7 h LEU 476 N 1.10 1.07 -0.84 2.94 3.38 -1.03 0.44 115.31 122.37 2qf7 h LEU 476 Ca 0.24 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2qf7 h LEU 476 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2qf7 h LEU 476 CO -0.01 1.03 -0.02 -0.07 0.09 0.00 0.00 178.44 179.46 2qf7 h LEU 477 N 1.07 0.82 -0.52 1.67 3.38 -1.04 -0.65 115.31 120.04 2qf7 h LEU 477 Ca 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qf7 h LEU 477 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2qf7 h LEU 477 CO 0.00 0.90 0.28 0.74 0.09 0.00 0.00 178.44 180.45 2qf7 h THR 478 N 0.78 1.18 0.05 0.22 2.02 -0.82 0.11 112.91 116.45 2qf7 h THR 478 Ca 0.15 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.88 2qf7 h THR 478 Cb 0.50 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2qf7 h THR 478 CO 0.03 0.19 -0.12 0.22 0.37 0.00 0.00 175.52 176.21 2qf7 h TYR 479 N 0.69 -0.30 -0.86 3.16 3.20 -0.63 -0.82 116.97 121.41 2qf7 h TYR 479 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2qf7 h TYR 479 Cb 0.05 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2qf7 h TYR 479 CO -0.02 -0.18 0.51 -0.07 -1.64 0.00 0.00 178.16 176.76 2qf7 h LEU 480 N -0.23 1.04 -0.08 2.82 3.38 -0.88 -0.38 115.31 120.98 2qf7 h LEU 480 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qf7 h LEU 480 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qf7 h LEU 480 CO -0.08 0.81 0.05 0.00 0.09 0.00 0.00 178.44 179.30 2qf7 h ALA 481 N 1.27 0.11 -0.62 1.53 0.00 -0.91 -0.42 119.26 120.22 2qf7 h ALA 481 Ca 0.31 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2qf7 h ALA 481 Cb -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2qf7 h ALA 481 CO -0.06 -0.36 0.37 0.22 0.00 0.00 0.00 179.25 179.42 2qf7 h ASP 482 N 0.05 0.57 0.37 0.00 3.58 -0.53 -0.34 116.42 120.13 2qf7 h ASP 482 Ca 0.03 0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.28 2qf7 h ASP 482 Cb 0.07 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2qf7 h ASP 482 CO -0.00 0.39 -0.91 1.62 -2.88 0.00 0.00 179.24 177.46 2qf7 h VAL 483 N 0.70 1.42 -0.57 2.25 3.04 -1.02 0.20 116.25 122.26 2qf7 h VAL 483 Ca 0.26 -2.45 -0.01 0.00 -1.01 0.00 0.00 66.70 63.49 2qf7 h VAL 483 Cb 0.08 2.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 2qf7 h VAL 483 CO -0.13 0.73 0.31 0.74 -1.01 0.00 0.00 177.57 178.21 2qf7 h THR 484 N 0.21 1.19 0.07 3.17 2.02 -0.81 0.19 112.91 118.95 2qf7 h THR 484 Ca -0.07 -0.47 -0.29 0.00 0.77 0.00 0.00 66.41 66.35 2qf7 h THR 484 Cb 1.54 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2qf7 h THR 484 CO 0.15 0.20 -1.54 -0.37 0.37 0.00 0.00 175.52 174.33 2qf7 h VAL 485 N 0.77 1.10 -0.00 3.16 -1.51 -1.03 -3.40 116.25 115.34 2qf7 h VAL 485 Ca 0.20 -2.82 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 2qf7 h VAL 485 Cb 0.04 2.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2qf7 h VAL 485 CO -0.03 0.76 -0.39 0.59 -1.23 0.00 0.00 177.57 177.27 2qf7 n ASN 486 N -3.33 0.47 -0.24 4.19 4.13 0.69 -4.78 115.26 116.38 2qf7 n ASN 486 Ca -0.15 -0.73 0.03 0.00 1.68 0.00 0.00 54.58 55.40 2qf7 n ASN 486 Cb 1.03 0.95 -0.01 0.00 -1.54 0.00 0.00 39.78 40.21 2qf7 n ASN 486 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qf7 n GLY 487 N 1.17 -2.31 3.79 7.41 0.00 0.66 -4.86 105.19 111.06 2qf7 n GLY 487 Ca 0.02 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 2qf7 n GLY 487 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qf7 s HIS 488 N -2.58 3.54 0.59 1.61 2.46 -1.25 -4.68 115.29 114.99 2qf7 s HIS 488 Ca 0.00 0.62 0.30 0.00 0.47 0.00 0.00 55.06 56.45 2qf7 s HIS 488 Cb 0.00 -2.20 1.80 0.00 -0.13 0.00 0.00 32.58 32.05 2qf7 s HIS 488 CO 0.00 0.46 2.23 -1.00 -2.47 0.00 0.00 174.74 173.96 2qf7 h PRO 489 N 5.84 0.00 0.00 2.88 0.13 -1.93 -1.26 132.00 137.66 2qf7 h PRO 489 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qf7 h PRO 489 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qf7 h PRO 489 CO 0.68 0.00 -0.67 0.93 -0.23 0.00 0.00 178.00 178.71 2qf7 h GLU 490 N 0.00 0.00 0.00 0.86 4.39 -1.94 -3.33 114.58 114.56 2qf7 h GLU 490 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2qf7 h GLU 490 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2qf7 h GLU 490 CO -0.00 0.00 -1.87 0.00 -1.16 0.00 0.00 179.01 175.98 2qf7 n ALA 491 N -1.92 2.68 0.00 3.43 0.00 -0.85 -4.83 120.51 119.01 2qf7 n ALA 491 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2qf7 n ALA 491 Cb 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2qf7 n ALA 491 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qf7 n LYS 492 N -2.17 0.00 -2.71 0.00 4.76 -0.54 -2.07 118.16 115.44 2qf7 n LYS 492 Ca -0.04 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.12 2qf7 n LYS 492 Cb 0.51 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.68 2qf7 n LYS 492 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qf7 n ASP 493 N 1.06 4.84 -4.69 4.39 9.92 -1.26 -5.03 116.55 125.78 2qf7 n ASP 493 Ca 0.00 -3.71 -0.23 0.00 -0.53 0.00 0.00 54.79 50.32 2qf7 n ASP 493 Cb 0.00 -0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 39.84 2qf7 n ASP 493 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2qf7 s ARG 494 N -3.57 2.34 0.80 -1.24 0.52 -0.88 -5.10 118.95 111.82 2qf7 s ARG 494 Ca 0.48 -1.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.07 2qf7 s ARG 494 Cb 0.33 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.66 2qf7 s ARG 494 CO -0.17 0.25 0.86 -2.30 0.02 0.00 0.00 175.30 173.96 2qf7 n PRO 495 N -1.02 0.19 -4.21 3.54 -0.02 -1.26 -4.89 135.00 127.32 2qf7 n PRO 495 Ca -0.05 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 2qf7 n PRO 495 Cb 0.60 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 2qf7 n PRO 495 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qf7 s LYS 496 N -3.56 2.23 0.49 -0.52 1.02 -1.26 -2.89 119.74 115.25 2qf7 s LYS 496 Ca 0.69 -1.04 -0.24 0.00 0.02 0.00 0.00 55.97 55.40 2qf7 s LYS 496 Cb -0.30 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 2qf7 s LYS 496 CO 0.55 0.49 1.39 -2.14 -0.92 0.00 0.00 175.35 174.72 2qf7 s PRO 497 N -2.43 3.46 -0.16 -1.68 0.02 -1.26 -4.87 135.00 128.07 2qf7 s PRO 497 Ca 0.24 2.31 -0.39 0.00 0.02 0.00 0.00 61.00 63.18 2qf7 s PRO 497 Cb -0.11 -2.48 -0.16 0.00 0.02 0.00 0.00 34.50 31.78 2qf7 s PRO 497 CO 0.15 -0.96 1.65 1.28 -0.33 0.00 0.00 177.00 178.80 2qf7 n LEU 498 N -0.55 2.31 0.00 -5.54 4.32 -1.26 -4.80 117.00 111.47 2qf7 n LEU 498 Ca 0.07 1.08 0.08 0.00 -0.02 0.00 0.00 56.01 57.22 2qf7 n LEU 498 Cb 0.43 -1.18 0.42 0.00 -1.62 0.00 0.00 43.42 41.47 2qf7 n LEU 498 CO 0.56 -0.55 0.69 -0.62 -1.22 0.00 0.00 177.39 176.25 2qf7 n GLU 499 N 4.74 0.35 0.00 3.23 4.71 -1.26 -4.41 120.64 127.99 2qf7 n GLU 499 Ca 0.24 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 2qf7 n GLU 499 Cb 0.16 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 2qf7 n GLU 499 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2qf7 n ASN 500 N -1.15 0.00 -3.77 1.62 5.03 -1.26 -4.99 115.26 110.74 2qf7 n ASN 500 Ca 0.09 0.35 -0.13 0.00 0.87 0.00 0.00 54.58 55.76 2qf7 n ASN 500 Cb 0.09 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.73 2qf7 n ASN 500 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qf7 s ALA 501 N -2.12 -0.65 -0.27 5.41 0.00 -1.26 -5.11 121.76 117.76 2qf7 s ALA 501 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 2qf7 s ALA 501 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2qf7 s ALA 501 CO 0.00 -0.15 1.67 0.00 0.00 0.00 0.00 175.76 177.28 2qf7 s ALA 502 N 0.45 3.13 0.32 0.00 0.00 -1.26 -4.99 121.76 119.40 2qf7 s ALA 502 Ca -0.03 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 2qf7 s ALA 502 Cb -0.04 -3.91 -0.13 0.00 0.00 0.00 0.00 23.12 19.04 2qf7 s ALA 502 CO -0.02 -2.20 1.07 0.54 0.00 0.00 0.00 175.76 175.14 2qf7 n ARG 503 N 7.95 1.52 -1.88 0.00 1.74 -1.26 -4.92 116.66 119.81 2qf7 n ARG 503 Ca 0.20 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 2qf7 n ARG 503 Cb 0.46 -1.97 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 2qf7 n ARG 503 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2qf7 s PRO 504 N -1.68 4.19 -0.23 5.56 0.02 -1.26 -5.01 135.00 136.59 2qf7 s PRO 504 Ca 0.58 2.45 -0.07 0.00 0.02 0.00 0.00 61.00 63.98 2qf7 s PRO 504 Cb -0.65 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 2qf7 s PRO 504 CO 0.60 -0.56 0.06 0.08 -0.33 0.00 0.00 177.00 176.85 2qf7 s VAL 505 N 0.24 4.43 0.02 3.83 1.01 -1.26 -5.06 120.40 123.60 2qf7 s VAL 505 Ca 0.64 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2qf7 s VAL 505 Cb -0.45 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2qf7 s VAL 505 CO 0.43 0.38 1.63 -0.69 0.00 0.00 0.00 175.10 176.85 2qf7 s VAL 506 N 1.22 3.31 0.95 2.92 1.01 -1.26 -4.82 120.40 123.74 2qf7 s VAL 506 Ca 0.05 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 2qf7 s VAL 506 Cb -0.14 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 33.00 2qf7 s VAL 506 CO 0.03 -0.02 1.10 -2.84 0.00 0.00 0.00 175.10 173.37 2qf7 s PRO 507 N 3.16 0.77 -0.20 2.72 0.02 -1.26 -4.96 135.00 135.25 2qf7 s PRO 507 Ca 0.73 1.22 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 2qf7 s PRO 507 Cb -0.37 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 2qf7 s PRO 507 CO 0.31 -2.69 0.36 -0.47 -0.33 0.00 0.00 177.00 174.18 2qf7 s TYR 508 N -2.69 3.38 0.00 6.54 6.04 -1.26 -4.99 117.35 124.37 2qf7 s TYR 508 Ca 0.66 0.56 0.00 0.00 0.04 0.00 0.00 57.07 58.33 2qf7 s TYR 508 Cb -0.22 -2.47 0.00 0.00 -1.04 0.00 0.00 41.96 38.23 2qf7 s TYR 508 CO 0.59 0.03 0.00 0.00 -1.54 0.00 0.00 175.55 174.63 2qf7 n ALA 509 N 4.35 0.00 0.00 3.97 0.00 -1.26 -5.14 120.51 122.43 2qf7 n ALA 509 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2qf7 n ALA 509 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2qf7 n ALA 509 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qf7 n GLY 511 N 0.00 2.45 0.00 0.00 0.00 -1.26 -5.03 105.19 101.34 2qf7 n GLY 511 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2qf7 n GLY 511 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qf7 n ASN 512 N 0.00 0.00 -3.71 1.61 3.02 -1.26 -5.17 115.26 109.75 2qf7 n ASN 512 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 2qf7 n ASN 512 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2qf7 n ASN 512 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2qf7 s GLY 513 N 0.00 0.26 -0.03 7.41 0.00 -1.26 -5.16 107.32 108.54 2qf7 s GLY 513 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 44.72 43.90 2qf7 s GLY 513 CO 0.00 -0.34 0.58 -1.34 0.00 0.00 0.00 173.10 172.00 2qf7 s VAL 514 N -3.63 4.97 0.31 1.40 -7.23 -1.26 -4.99 120.40 109.97 2qf7 s VAL 514 Ca 0.16 1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 61.29 2qf7 s VAL 514 Cb -0.04 -3.91 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 2qf7 s VAL 514 CO 0.09 0.40 0.90 -0.54 -0.31 0.00 0.00 175.10 175.64 2qf7 s LYS 515 N -0.04 4.47 0.45 4.82 3.01 -1.26 -5.02 119.74 126.17 2qf7 s LYS 515 Ca 0.30 1.20 -0.25 0.00 -1.01 0.00 0.00 55.97 56.21 2qf7 s LYS 515 Cb -0.18 -2.75 -0.09 0.00 -1.01 0.00 0.00 37.83 33.81 2qf7 s LYS 515 CO 0.16 0.27 1.39 -0.25 0.51 0.00 0.00 175.35 177.43 2qf7 n ASP 516 N 0.46 3.12 0.00 2.83 9.92 -1.26 -4.82 116.55 126.79 2qf7 n ASP 516 Ca 0.02 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 2qf7 n ASP 516 Cb 0.51 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 2qf7 n ASP 516 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qf7 n GLY 517 N 0.64 5.40 0.25 0.44 0.00 -1.17 -4.97 105.19 105.78 2qf7 n GLY 517 Ca 0.06 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.88 2qf7 n GLY 517 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qf7 h THR 518 N 0.00 1.02 -0.93 2.61 1.35 -1.67 -1.46 112.91 113.84 2qf7 h THR 518 Ca 0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2qf7 h THR 518 Cb 0.00 1.05 -0.05 0.00 -1.73 0.00 0.00 68.15 67.42 2qf7 h THR 518 CO 0.00 0.03 0.61 0.50 -0.25 0.00 0.00 175.52 176.41 2qf7 h LYS 519 N 0.01 1.20 -0.07 4.72 1.63 -1.64 0.11 116.57 122.53 2qf7 h LYS 519 Ca 0.00 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.56 2qf7 h LYS 519 Cb 0.05 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 2qf7 h LYS 519 CO 0.00 0.80 -0.67 1.96 -3.45 0.00 0.00 179.45 178.09 2qf7 h GLN 520 N 1.24 0.32 -0.53 1.90 7.50 -1.48 -0.95 115.11 123.11 2qf7 h GLN 520 Ca 0.35 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 59.16 2qf7 h GLN 520 Cb -0.12 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 2qf7 h GLN 520 CO -0.08 0.87 -0.01 -0.07 -1.50 0.00 0.00 178.83 178.04 2qf7 h LEU 521 N 0.22 0.93 -0.08 1.46 3.38 -1.20 -1.37 115.31 118.66 2qf7 h LEU 521 Ca -0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2qf7 h LEU 521 Cb 1.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2qf7 h LEU 521 CO 0.11 1.02 0.04 0.25 0.09 0.00 0.00 178.44 179.95 2qf7 h LEU 522 N 0.82 0.10 -1.14 1.67 5.85 -0.56 0.13 115.31 122.19 2qf7 h LEU 522 Ca 0.15 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2qf7 h LEU 522 Cb 0.55 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2qf7 h LEU 522 CO 0.03 0.19 0.59 0.44 -0.34 0.00 0.00 178.44 179.35 2qf7 h ASP 523 N 0.01 0.89 0.44 1.25 3.32 -1.09 0.12 116.42 121.37 2qf7 h ASP 523 Ca 0.03 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2qf7 h ASP 523 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2qf7 h ASP 523 CO -0.00 0.55 -1.66 0.35 -1.72 0.00 0.00 179.24 176.76 2qf7 n THR 524 N -4.51 0.75 -0.08 0.35 -2.24 -0.52 -4.35 114.28 103.68 2qf7 n THR 524 Ca 0.15 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 2qf7 n THR 524 Cb 0.24 -0.39 -0.16 0.00 -2.10 0.00 0.00 70.33 67.92 2qf7 n THR 524 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qf7 n LEU 525 N -2.64 0.09 0.00 3.22 4.77 0.42 -5.08 117.00 117.79 2qf7 n LEU 525 Ca -0.10 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2qf7 n LEU 525 Cb 0.75 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 2qf7 n LEU 525 CO 0.43 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2qf7 n GLY 526 N 1.68 -0.98 0.32 -0.72 0.00 0.40 -4.36 105.19 101.52 2qf7 n GLY 526 Ca -0.28 -1.61 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 2qf7 n GLY 526 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf7 h PRO 527 N 0.00 1.10 -0.24 1.61 0.13 -1.81 0.15 132.00 132.93 2qf7 h PRO 527 Ca 0.00 -0.20 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 2qf7 h PRO 527 Cb 0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 30.95 2qf7 h PRO 527 CO 0.00 0.90 -0.10 -0.22 -0.23 0.00 0.00 178.00 178.36 2qf7 h LYS 528 N 1.05 0.49 0.00 0.86 3.11 -1.93 -1.66 116.57 118.48 2qf7 h LYS 528 Ca 0.24 -0.21 -0.06 0.00 -2.81 0.00 0.00 60.65 57.82 2qf7 h LYS 528 Cb 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 2qf7 h LYS 528 CO -0.02 0.74 -0.27 0.87 -2.81 0.00 0.00 179.45 177.97 2qf7 h LYS 529 N 0.21 0.00 -0.40 1.90 1.79 -1.74 -2.29 116.57 116.04 2qf7 h LYS 529 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2qf7 h LYS 529 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2qf7 h LYS 529 CO 0.03 0.27 0.19 0.35 -1.08 0.00 0.00 179.45 179.21 2qf7 h PHE 530 N 0.00 0.57 -0.88 -1.35 3.57 -0.59 -0.46 116.94 117.81 2qf7 h PHE 530 Ca -0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2qf7 h PHE 530 Cb 0.95 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 2qf7 h PHE 530 CO 0.00 0.47 0.50 0.78 -2.23 0.00 0.00 178.31 177.84 2qf7 h GLY 531 N 0.51 1.29 0.82 2.40 0.00 -1.08 -0.59 103.07 106.42 2qf7 h GLY 531 Ca 0.14 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.94 2qf7 h GLY 531 CO -0.02 0.54 0.32 -2.09 0.00 0.00 0.00 176.54 175.29 2qf7 h GLU 532 N 1.22 0.61 -0.50 4.80 4.81 -1.21 -1.08 114.58 123.22 2qf7 h GLU 532 Ca 0.31 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2qf7 h GLU 532 Cb -0.01 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2qf7 h GLU 532 CO -0.05 0.40 0.31 2.35 -0.73 0.00 0.00 179.01 181.28 2qf7 h TRP 533 N 0.62 0.58 -0.54 0.92 7.01 -0.66 -1.50 115.95 122.38 2qf7 h TRP 533 Ca 0.23 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.27 2qf7 h TRP 533 Cb 0.06 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2qf7 h TRP 533 CO -0.07 0.34 0.33 0.52 -2.79 0.00 0.00 178.44 176.77 2qf7 h MET 534 N 0.62 0.65 -0.19 2.65 2.86 -0.76 -0.81 114.93 119.94 2qf7 h MET 534 Ca 0.20 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2qf7 h MET 534 Cb -0.00 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2qf7 h MET 534 CO -0.08 0.43 0.12 -0.09 1.06 0.00 0.00 176.91 178.35 2qf7 h ARG 535 N 0.67 0.25 0.00 1.72 9.65 -0.90 -2.78 114.38 122.99 2qf7 h ARG 535 Ca 0.21 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.01 2qf7 h ARG 535 Cb -0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2qf7 h ARG 535 CO -0.08 0.20 -0.30 -0.91 2.80 0.00 0.00 179.97 181.68 2qf7 h ASN 536 N 0.23 0.00 -2.59 -3.80 2.35 -1.01 -3.45 115.58 107.32 2qf7 h ASN 536 Ca 0.07 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.29 2qf7 h ASN 536 Cb 0.01 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.43 2qf7 h ASN 536 CO -0.01 0.30 1.07 -0.70 -1.65 0.00 0.00 177.43 176.44 2qf7 s GLU 537 N -4.04 4.13 0.01 0.81 2.56 -0.33 -4.90 118.70 116.93 2qf7 s GLU 537 Ca -0.02 2.60 -0.21 0.00 0.00 0.00 0.00 54.97 57.34 2qf7 s GLU 537 Cb 0.13 -3.39 -0.20 0.00 2.00 0.00 0.00 34.13 32.67 2qf7 s GLU 537 CO 0.67 -0.81 1.18 -0.22 -0.56 0.00 0.00 175.26 175.53 2qf7 h LYS 538 N 7.90 0.35 -7.08 4.30 3.11 -1.88 -3.45 116.57 119.82 2qf7 h LYS 538 Ca -0.45 -0.29 -0.53 0.00 -2.81 0.00 0.00 60.65 56.57 2qf7 h LYS 538 Cb 1.21 0.06 0.12 0.00 -1.00 0.00 0.00 32.23 32.62 2qf7 h LYS 538 CO 0.95 0.93 0.50 -0.98 -2.81 0.00 0.00 179.45 178.04 2qf7 s ARG 539 N -3.62 3.02 0.36 1.90 1.70 -1.26 -4.74 118.95 116.30 2qf7 s ARG 539 Ca -0.14 1.92 -0.25 0.00 -0.47 0.00 0.00 55.73 56.79 2qf7 s ARG 539 Cb 0.04 -2.01 -0.10 0.00 -0.57 0.00 0.00 34.95 32.30 2qf7 s ARG 539 CO 0.78 -1.20 0.97 0.54 -1.08 0.00 0.00 175.30 175.32 2qf7 s VAL 540 N -1.51 4.11 0.00 4.99 0.11 -0.93 -4.98 120.40 122.18 2qf7 s VAL 540 Ca 0.76 1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 61.45 2qf7 s VAL 540 Cb -0.33 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 2qf7 s VAL 540 CO 0.36 0.04 0.10 -0.76 -3.33 0.00 0.00 175.10 171.52 2qf7 s LEU 541 N -2.35 4.00 -0.03 2.54 1.43 -0.80 -4.36 118.68 119.11 2qf7 s LEU 541 Ca 0.54 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 2qf7 s LEU 541 Cb -0.18 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2qf7 s LEU 541 CO 0.23 0.26 -0.25 -0.76 0.23 0.00 0.00 176.35 176.07 2qf7 s LEU 542 N -1.83 2.05 -0.15 1.79 1.02 -1.26 -1.44 118.68 118.86 2qf7 s LEU 542 Ca 0.24 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.91 2qf7 s LEU 542 Cb -0.12 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.77 2qf7 s LEU 542 CO 0.16 0.29 -0.07 -0.89 0.02 0.00 0.00 176.35 175.85 2qf7 s THR 543 N -0.45 3.57 -0.25 5.49 2.01 -0.37 -0.96 115.64 124.68 2qf7 s THR 543 Ca 0.06 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 2qf7 s THR 543 Cb -0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2qf7 s THR 543 CO 0.00 0.50 0.49 -0.62 -0.69 0.00 0.00 174.62 174.30 2qf7 s ASP 544 N 0.42 6.42 -0.00 3.53 -1.08 -0.98 -1.02 116.67 123.96 2qf7 s ASP 544 Ca -0.06 0.51 0.22 0.00 -0.52 0.00 0.00 52.55 52.70 2qf7 s ASP 544 Cb -0.15 -2.27 0.65 0.00 -1.46 0.00 0.00 42.92 39.69 2qf7 s ASP 544 CO 0.04 -0.24 1.54 0.35 0.52 0.00 0.00 175.17 177.37 2qf7 n THR 545 N 5.01 0.98 -0.36 1.71 -2.24 -0.53 -0.73 114.28 118.13 2qf7 n THR 545 Ca -0.05 -0.98 0.05 0.00 -2.27 0.00 0.00 64.05 60.80 2qf7 n THR 545 Cb 0.50 0.49 0.22 0.00 -2.10 0.00 0.00 70.33 69.43 2qf7 n THR 545 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qf7 h THR 546 N 4.27 1.00 -0.00 4.28 2.02 -1.79 -0.32 112.91 122.37 2qf7 h THR 546 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2qf7 h THR 546 Cb 0.98 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2qf7 h THR 546 CO 0.00 0.20 -0.00 0.23 0.37 0.00 0.00 175.52 176.31 2qf7 n MET 547 N -4.55 0.70 0.00 6.66 2.81 -1.25 -3.37 117.12 118.12 2qf7 n MET 547 Ca 0.17 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2qf7 n MET 547 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2qf7 n MET 547 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2qf7 n ARG 548 N -1.14 0.00 -0.08 0.03 0.00 -0.72 -4.62 116.66 110.13 2qf7 n ARG 548 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.02 2qf7 n ARG 548 Cb 0.18 0.00 0.23 0.00 0.00 0.00 0.00 32.46 32.87 2qf7 n ARG 548 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2qf7 h ASP 549 N 0.00 0.67 -0.09 6.15 3.58 -1.64 -0.46 116.42 124.63 2qf7 h ASP 549 Ca 0.00 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.36 2qf7 h ASP 549 Cb 0.00 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2qf7 h ASP 549 CO 0.00 0.70 -0.11 1.23 -2.88 0.00 0.00 179.24 178.18 2qf7 h GLY 550 N 0.92 -0.04 1.90 -0.78 0.00 -1.24 -1.11 103.07 102.71 2qf7 h GLY 550 Ca 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2qf7 h GLY 550 CO 0.00 -0.12 -0.20 1.12 0.00 0.00 0.00 176.54 177.34 2qf7 h HIS 551 N -0.14 0.00 -0.47 5.60 2.07 -1.53 -2.34 115.15 118.34 2qf7 h HIS 551 Ca 0.07 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.59 2qf7 h HIS 551 Cb 0.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 2qf7 h HIS 551 CO -0.21 0.10 0.27 0.37 -3.07 0.00 0.00 177.93 175.39 2qf7 h GLN 552 N 0.00 0.65 -0.30 5.12 4.15 -0.84 0.14 115.11 124.04 2qf7 h GLN 552 Ca -0.00 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 2qf7 h GLN 552 Cb 1.08 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 2qf7 h GLN 552 CO 0.01 0.50 -0.13 0.77 -1.93 0.00 0.00 178.83 178.06 2qf7 h SER 553 N 0.63 0.62 0.00 -0.69 0.02 -1.19 -3.30 113.55 109.65 2qf7 h SER 553 Ca 0.17 -0.40 -0.16 0.00 -0.84 0.00 0.00 61.79 60.56 2qf7 h SER 553 Cb 0.03 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2qf7 h SER 553 CO -0.03 0.88 -2.15 0.18 -1.14 0.00 0.00 176.83 174.57 2qf7 n LEU 554 N -4.42 0.00 -1.05 5.07 4.77 -0.88 -4.54 117.00 115.95 2qf7 n LEU 554 Ca -0.03 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 2qf7 n LEU 554 Cb 0.36 0.21 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 2qf7 n LEU 554 CO 0.41 0.21 0.21 0.18 -1.33 0.00 0.00 177.39 177.08 2qf7 n LEU 555 N -2.46 1.77 -2.68 2.23 4.77 0.39 -4.32 117.00 116.70 2qf7 n LEU 555 Ca -0.16 -2.86 -0.19 0.00 -0.03 0.00 0.00 56.01 52.77 2qf7 n LEU 555 Cb 0.82 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2qf7 n LEU 555 CO 0.44 0.91 -0.14 0.00 -1.33 0.00 0.00 177.39 177.27 2qf7 n ALA 556 N -0.28 -0.81 -2.14 -1.18 0.00 -1.14 -1.80 120.51 113.16 2qf7 n ALA 556 Ca 0.12 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 2qf7 n ALA 556 Cb 0.92 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 2qf7 n ALA 556 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qf7 n THR 557 N -3.89 -0.66 1.44 0.00 -1.04 -0.53 -4.89 114.28 104.71 2qf7 n THR 557 Ca -0.15 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.98 2qf7 n THR 557 Cb 0.63 -2.59 0.49 0.00 -1.82 0.00 0.00 70.33 67.03 2qf7 n THR 557 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qf7 n ARG 558 N -2.79 1.61 -1.81 -2.82 5.12 -0.74 -4.79 116.66 110.43 2qf7 n ARG 558 Ca -0.23 -0.90 -0.42 0.00 -1.93 0.00 0.00 57.85 54.37 2qf7 n ARG 558 Cb 0.68 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.52 2qf7 n ARG 558 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2qf7 s MET 559 N -1.91 4.16 0.26 5.56 -2.45 -1.26 -4.96 119.30 118.69 2qf7 s MET 559 Ca 0.36 2.51 -0.06 0.00 -1.25 0.00 0.00 55.69 57.24 2qf7 s MET 559 Cb 0.19 -3.21 -0.06 0.00 1.25 0.00 0.00 34.83 33.00 2qf7 s MET 559 CO 0.30 -0.72 0.53 1.03 1.05 0.00 0.00 175.02 177.21 2qf7 s ARG 560 N 1.49 3.67 0.29 4.11 0.52 -1.26 -4.98 118.95 122.79 2qf7 s ARG 560 Ca 0.74 0.06 0.03 0.00 -0.52 0.00 0.00 55.73 56.04 2qf7 s ARG 560 Cb -0.47 -2.67 0.72 0.00 0.52 0.00 0.00 34.95 33.06 2qf7 s ARG 560 CO 0.32 0.27 1.67 1.15 0.02 0.00 0.00 175.30 178.74 2qf7 h THR 561 N 1.60 0.40 -0.57 0.02 2.02 -1.93 -1.22 112.91 113.23 2qf7 h THR 561 Ca -0.47 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 66.71 2qf7 h THR 561 Cb 1.18 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.58 2qf7 h THR 561 CO 0.68 0.06 0.11 0.22 0.37 0.00 0.00 175.52 176.95 2qf7 h TYR 562 N 0.31 0.17 0.02 3.16 3.20 -1.90 0.35 116.97 122.28 2qf7 h TYR 562 Ca 0.56 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 62.25 2qf7 h TYR 562 Cb 1.09 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2qf7 h TYR 562 CO -0.19 -0.03 -0.94 -0.44 -1.64 0.00 0.00 178.16 174.92 2qf7 h ASP 563 N 0.24 0.21 0.00 -2.11 3.32 -1.62 -3.01 116.42 113.45 2qf7 h ASP 563 Ca 0.29 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2qf7 h ASP 563 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2qf7 h ASP 563 CO -0.38 1.03 -0.00 0.40 -1.72 0.00 0.00 179.24 178.57 2qf7 h ILE 564 N 0.07 1.56 -0.19 0.35 2.04 -0.68 -3.30 117.51 117.36 2qf7 h ILE 564 Ca -0.05 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 2qf7 h ILE 564 Cb 1.61 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.37 2qf7 h ILE 564 CO 0.14 0.43 -0.10 0.00 0.00 0.00 0.00 178.15 178.63 2qf7 h ALA 565 N 0.27 1.48 0.00 1.87 0.00 -0.44 -2.88 119.26 119.56 2qf7 h ALA 565 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2qf7 h ALA 565 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qf7 h ALA 565 CO 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 179.50 2qf7 h ARG 566 N 0.29 0.00 -0.01 0.00 3.08 -1.61 -2.78 114.38 113.35 2qf7 h ARG 566 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qf7 h ARG 566 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2qf7 h ARG 566 CO 0.02 0.12 -0.72 1.51 -1.07 0.00 0.00 179.97 179.83 2qf7 n ILE 567 N -3.28 0.00 -0.33 2.04 0.13 -1.09 -4.61 119.36 112.22 2qf7 n ILE 567 Ca 0.00 -0.13 -0.03 0.00 -1.10 0.00 0.00 62.75 61.49 2qf7 n ILE 567 Cb 0.36 1.09 0.09 0.00 -0.84 0.00 0.00 39.64 40.33 2qf7 n ILE 567 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qf7 h ALA 568 N 3.45 1.13 -0.98 1.51 0.00 -1.44 -1.71 119.26 121.21 2qf7 h ALA 568 Ca 0.00 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2qf7 h ALA 568 Cb 0.62 -0.36 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2qf7 h ALA 568 CO 0.00 0.57 0.60 0.78 0.00 0.00 0.00 179.25 181.19 2qf7 h GLY 569 N 1.21 1.69 0.81 0.00 0.00 -1.76 -1.04 103.07 103.98 2qf7 h GLY 569 Ca 0.32 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2qf7 h GLY 569 CO -0.06 0.01 0.00 -0.84 0.00 0.00 0.00 176.54 175.65 2qf7 h THR 570 N 0.82 1.25 -0.43 4.70 2.02 -1.61 -1.39 112.91 118.28 2qf7 h THR 570 Ca 0.54 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.92 2qf7 h THR 570 Cb 0.73 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2qf7 h THR 570 CO -0.34 0.25 0.17 1.88 0.37 0.00 0.00 175.52 177.85 2qf7 h TYR 571 N 0.07 0.30 -0.57 3.16 -1.99 -1.17 0.23 116.97 117.00 2qf7 h TYR 571 Ca 0.05 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.87 2qf7 h TYR 571 Cb 0.38 -0.07 -0.06 0.00 2.00 0.00 0.00 36.73 38.98 2qf7 h TYR 571 CO 0.03 0.13 0.25 1.03 -0.00 0.00 0.00 178.16 179.60 2qf7 h SER 572 N 0.34 0.31 0.42 3.88 0.87 -0.91 -0.40 113.55 118.07 2qf7 h SER 572 Ca 0.19 0.05 -0.31 0.00 -1.23 0.00 0.00 61.79 60.50 2qf7 h SER 572 Cb 0.16 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2qf7 h SER 572 CO -0.18 0.20 -1.48 0.45 -0.53 0.00 0.00 176.83 175.29 2qf7 h HIS 573 N 0.47 0.63 0.03 2.24 3.86 -1.02 -3.35 115.15 118.01 2qf7 h HIS 573 Ca 0.27 -0.46 -0.34 0.00 -1.16 0.00 0.00 60.37 58.68 2qf7 h HIS 573 Cb 0.26 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 2qf7 h HIS 573 CO -0.13 1.44 -2.04 0.00 0.86 0.00 0.00 177.93 178.06 2qf7 n ALA 574 N -2.67 1.36 -2.87 2.45 0.00 0.78 -4.51 120.51 115.05 2qf7 n ALA 574 Ca -0.16 -0.92 -0.24 0.00 0.00 0.00 0.00 53.44 52.12 2qf7 n ALA 574 Cb 1.06 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2qf7 n ALA 574 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qf7 n LEU 575 N -3.08 3.61 0.01 0.00 4.77 -0.17 -4.73 117.00 117.41 2qf7 n LEU 575 Ca -0.28 -5.31 0.08 0.00 -0.03 0.00 0.00 56.01 50.47 2qf7 n LEU 575 Cb 1.07 -0.22 0.33 0.00 -2.33 0.00 0.00 43.42 42.28 2qf7 n LEU 575 CO 0.42 2.26 0.75 -0.81 -1.33 0.00 0.00 177.39 178.67 2qf7 n PRO 576 N -0.18 0.02 -0.01 3.23 -0.04 -1.25 -2.25 135.00 134.52 2qf7 n PRO 576 Ca 0.30 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 2qf7 n PRO 576 Cb 0.53 -1.53 0.63 0.00 -0.04 0.00 0.00 33.50 33.09 2qf7 n PRO 576 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qf7 n ASN 577 N -1.57 1.05 -4.78 3.54 3.02 -1.26 -4.61 115.26 110.66 2qf7 n ASN 577 Ca 0.03 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.81 2qf7 n ASN 577 Cb 0.18 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2qf7 n ASN 577 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qf7 s LEU 578 N -1.96 4.31 0.07 3.41 1.43 -0.95 -4.76 118.68 120.23 2qf7 s LEU 578 Ca 0.40 2.94 -0.29 0.00 -1.03 0.00 0.00 54.13 56.15 2qf7 s LEU 578 Cb 0.21 -3.71 -0.17 0.00 0.03 0.00 0.00 46.19 42.55 2qf7 s LEU 578 CO 0.34 -0.83 1.65 0.25 0.23 0.00 0.00 176.35 177.98 2qf7 h LEU 579 N 2.99 -0.44 -7.00 1.79 5.85 -1.41 -3.41 115.31 113.68 2qf7 h LEU 579 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2qf7 h LEU 579 Cb 1.24 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 2qf7 h LEU 579 CO 0.64 -0.30 0.23 -0.94 -0.34 0.00 0.00 178.44 177.74 2qf7 s SER 580 N -4.75 -0.55 -0.24 1.25 1.04 -1.23 -3.31 113.70 105.90 2qf7 s SER 580 Ca -0.16 0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 2qf7 s SER 580 Cb 0.04 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2qf7 s SER 580 CO 0.63 -0.93 0.12 -0.76 0.98 0.00 0.00 173.24 173.28 2qf7 s LEU 581 N -2.68 3.78 -0.36 2.42 1.43 -0.53 -2.33 118.68 120.42 2qf7 s LEU 581 Ca 0.01 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 2qf7 s LEU 581 Cb -0.01 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2qf7 s LEU 581 CO -0.12 0.02 0.83 -0.70 0.23 0.00 0.00 176.35 176.60 2qf7 s GLU 582 N 1.34 3.80 0.00 1.70 2.12 0.09 -0.81 118.70 126.93 2qf7 s GLU 582 Ca 0.06 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2qf7 s GLU 582 Cb -0.15 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.44 2qf7 s GLU 582 CO 0.05 -0.86 0.47 0.00 -0.54 0.00 0.00 175.26 174.38 2qf7 s TRP 584 N 0.00 -0.40 0.00 0.00 -0.00 -1.19 -4.76 118.94 112.60 2qf7 s TRP 584 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.10 56.21 2qf7 s TRP 584 Cb 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 33.47 34.03 2qf7 s TRP 584 CO 0.00 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 2qf7 n GLY 585 N -0.38 -0.42 7.00 5.86 0.00 -1.26 -1.73 105.19 114.25 2qf7 n GLY 585 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2qf7 n GLY 585 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf7 n GLY 586 N 0.00 2.31 0.00 -0.02 0.00 -1.12 -2.22 105.19 104.13 2qf7 n GLY 586 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.90 2qf7 n GLY 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 n ALA 587 N 7.49 2.31 0.25 4.61 0.00 -1.26 -3.82 120.51 130.10 2qf7 n ALA 587 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.42 2qf7 n ALA 587 Cb 0.00 -1.46 0.64 0.00 0.00 0.00 0.00 19.45 18.63 2qf7 n ALA 587 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2qf7 h THR 588 N 0.00 0.91 0.12 0.00 1.35 -1.79 -2.32 112.91 111.18 2qf7 h THR 588 Ca 0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2qf7 h THR 588 Cb 0.42 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2qf7 h THR 588 CO 0.00 0.10 -0.06 0.15 -0.25 0.00 0.00 175.52 175.46 2qf7 h PHE 589 N 0.00 -0.15 0.12 4.73 3.57 -1.73 -1.65 116.94 121.82 2qf7 h PHE 589 Ca -0.00 -0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 2qf7 h PHE 589 Cb 0.20 0.05 0.03 0.00 2.79 0.00 0.00 35.95 39.01 2qf7 h PHE 589 CO 0.00 0.27 -1.24 0.38 -2.23 0.00 0.00 178.31 175.48 2qf7 h ASP 590 N -0.63 0.84 -0.87 0.41 2.03 -1.83 -3.33 116.42 113.03 2qf7 h ASP 590 Ca -0.02 -0.78 0.06 0.00 -0.73 0.00 0.00 57.03 55.57 2qf7 h ASP 590 Cb 0.49 -0.26 -0.06 0.00 -0.83 0.00 0.00 39.33 38.66 2qf7 h ASP 590 CO 0.03 1.58 0.54 0.58 -1.03 0.00 0.00 179.24 180.94 2qf7 h VAL 591 N 0.26 1.05 -0.58 4.15 2.07 -1.48 0.22 116.25 121.95 2qf7 h VAL 591 Ca -0.18 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2qf7 h VAL 591 Cb 1.92 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2qf7 h VAL 591 CO 0.23 0.18 0.30 0.77 0.02 0.00 0.00 177.57 179.07 2qf7 h SER 592 N 0.99 0.43 0.03 0.57 4.64 -1.40 0.31 113.55 119.11 2qf7 h SER 592 Ca 0.38 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.66 2qf7 h SER 592 Cb 0.16 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2qf7 h SER 592 CO -0.17 0.29 -0.29 0.24 -0.87 0.00 0.00 176.83 176.02 2qf7 h MET 593 N 0.57 0.15 -0.20 4.77 2.86 -1.17 -0.90 114.93 121.01 2qf7 h MET 593 Ca 0.26 -0.20 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 2qf7 h MET 593 Cb 0.16 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2qf7 h MET 593 CO -0.17 1.00 -0.56 0.07 1.06 0.00 0.00 176.91 178.31 2qf7 h ARG 594 N -0.60 0.61 0.00 1.72 0.11 -0.34 -3.08 114.38 112.79 2qf7 h ARG 594 Ca -0.04 -0.39 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 2qf7 h ARG 594 Cb 1.12 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.25 2qf7 h ARG 594 CO 0.06 1.00 -1.33 1.19 0.10 0.00 0.00 179.97 180.99 2qf7 n PHE 595 N -3.96 0.00 0.36 4.08 3.72 0.07 -4.64 117.46 117.09 2qf7 n PHE 595 Ca -0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 2qf7 n PHE 595 Cb 0.62 -0.18 0.06 0.00 -0.94 0.00 0.00 39.48 39.04 2qf7 n PHE 595 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qf7 n LEU 596 N -1.80 2.05 -4.07 4.37 4.77 -0.99 -4.97 117.00 116.36 2qf7 n LEU 596 Ca -0.02 -1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 54.54 2qf7 n LEU 596 Cb 0.24 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2qf7 n LEU 596 CO 0.15 0.42 -0.32 0.41 -1.33 0.00 0.00 177.39 176.72 2qf7 n THR 597 N 0.59 -2.38 -3.96 -5.08 -1.04 -0.75 -4.85 114.28 96.81 2qf7 n THR 597 Ca 0.07 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.50 2qf7 n THR 597 Cb 0.29 -2.10 -0.08 0.00 -1.82 0.00 0.00 70.33 66.62 2qf7 n THR 597 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2qf7 s GLU 598 N -6.83 0.81 -0.31 -2.82 -1.05 -0.42 -4.51 118.70 103.58 2qf7 s GLU 598 Ca 0.00 -1.10 -0.21 0.00 -0.15 0.00 0.00 54.97 53.51 2qf7 s GLU 598 Cb -0.00 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2qf7 s GLU 598 CO 0.93 -0.23 0.65 0.34 0.95 0.00 0.00 175.26 177.89 2qf7 s ASP 599 N -2.91 6.51 0.56 0.83 -1.08 -1.26 -2.56 116.67 116.77 2qf7 s ASP 599 Ca 0.08 0.44 0.31 0.00 -0.52 0.00 0.00 52.55 52.86 2qf7 s ASP 599 Cb 0.06 -2.34 1.70 0.00 -1.46 0.00 0.00 42.92 40.87 2qf7 s ASP 599 CO -0.08 -0.51 2.16 1.55 0.52 0.00 0.00 175.17 178.81 2qf7 h PRO 600 N 8.20 0.00 -0.29 4.34 0.13 -1.90 -2.30 132.00 140.17 2qf7 h PRO 600 Ca -0.26 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 2qf7 h PRO 600 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qf7 h PRO 600 CO 0.81 0.06 -0.53 -1.49 -0.23 0.00 0.00 178.00 176.62 2qf7 h TRP 601 N 0.00 1.10 -0.42 1.56 4.06 -1.97 -1.74 115.95 118.53 2qf7 h TRP 601 Ca -0.00 -0.39 -0.04 0.00 2.06 0.00 0.00 58.89 60.52 2qf7 h TRP 601 Cb 0.21 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 2qf7 h TRP 601 CO 0.00 1.22 0.10 1.49 -3.56 0.00 0.00 178.44 177.69 2qf7 h GLU 602 N 0.67 0.68 -0.57 0.49 4.57 -1.88 0.21 114.58 118.76 2qf7 h GLU 602 Ca 0.02 -0.16 0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2qf7 h GLU 602 Cb 1.14 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.58 2qf7 h GLU 602 CO 0.12 0.69 0.23 -0.09 -1.18 0.00 0.00 179.01 178.78 2qf7 h ARG 603 N 0.55 0.41 -0.46 1.92 2.43 -1.34 -0.94 114.38 116.95 2qf7 h ARG 603 Ca 0.13 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2qf7 h ARG 603 Cb 0.32 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2qf7 h ARG 603 CO 0.00 0.27 0.03 1.25 -1.51 0.00 0.00 179.97 180.01 2qf7 h LEU 604 N 0.42 0.77 -0.91 3.80 5.85 -1.01 -2.12 115.31 122.12 2qf7 h LEU 604 Ca 0.28 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2qf7 h LEU 604 Cb 0.30 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2qf7 h LEU 604 CO -0.26 0.88 0.57 0.00 -0.34 0.00 0.00 178.44 179.29 2qf7 h ALA 605 N 0.93 1.24 -0.53 1.25 0.00 -0.37 -1.06 119.26 120.71 2qf7 h ALA 605 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qf7 h ALA 605 Cb 0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qf7 h ALA 605 CO 0.02 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.56 2qf7 h LEU 606 N 1.06 0.91 -0.32 0.00 3.38 -1.00 -0.86 115.31 118.49 2qf7 h LEU 606 Ca 0.39 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qf7 h LEU 606 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qf7 h LEU 606 CO -0.16 1.00 0.16 0.40 0.09 0.00 0.00 178.44 179.93 2qf7 h ILE 607 N 0.81 1.15 -0.43 1.22 2.04 -1.12 -0.72 117.51 120.45 2qf7 h ILE 607 Ca 0.15 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.67 2qf7 h ILE 607 Cb 0.53 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 2qf7 h ILE 607 CO 0.03 0.15 0.02 -0.09 0.00 0.00 0.00 178.15 178.26 2qf7 h ARG 608 N 0.38 0.13 -0.13 2.37 9.65 -1.00 0.22 114.38 126.00 2qf7 h ARG 608 Ca 0.11 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.84 2qf7 h ARG 608 Cb 0.10 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2qf7 h ARG 608 CO -0.01 0.08 -0.54 0.93 2.80 0.00 0.00 179.97 183.23 2qf7 h GLU 609 N 0.13 0.38 0.00 0.20 4.39 -0.98 -2.95 114.58 115.74 2qf7 h GLU 609 Ca 0.21 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 2qf7 h GLU 609 Cb 0.30 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2qf7 h GLU 609 CO -0.34 0.82 -0.48 0.78 -1.16 0.00 0.00 179.01 178.62 2qf7 h GLY 610 N 1.25 0.00 -5.89 -3.84 0.00 -0.52 -3.37 103.07 90.70 2qf7 h GLY 610 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 2qf7 h GLY 610 CO 0.09 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.75 2qf7 n ALA 611 N -2.27 3.29 0.93 3.60 0.00 0.72 -3.20 120.51 123.59 2qf7 n ALA 611 Ca 0.01 -4.07 0.10 0.00 0.00 0.00 0.00 53.44 49.47 2qf7 n ALA 611 Cb 0.65 -0.84 0.49 0.00 0.00 0.00 0.00 19.45 19.75 2qf7 n ALA 611 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qf7 n PRO 612 N 0.62 0.29 0.00 0.00 -0.04 -1.13 -2.85 135.00 131.89 2qf7 n PRO 612 Ca 0.27 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 2qf7 n PRO 612 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2qf7 n PRO 612 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2qf7 n ASN 613 N -1.28 0.91 -4.55 3.54 6.94 -1.26 -4.74 115.26 114.83 2qf7 n ASN 613 Ca 0.09 -0.96 -0.31 0.00 -0.02 0.00 0.00 54.58 53.39 2qf7 n ASN 613 Cb 0.15 0.97 -0.11 0.00 -2.36 0.00 0.00 39.78 38.43 2qf7 n ASN 613 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qf7 s LEU 614 N -2.83 2.95 0.33 -4.53 1.43 -1.13 -1.96 118.68 112.94 2qf7 s LEU 614 Ca 0.07 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 2qf7 s LEU 614 Cb 0.14 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 2qf7 s LEU 614 CO 0.73 0.23 1.25 -0.76 0.23 0.00 0.00 176.35 178.04 2qf7 s LEU 615 N -1.75 4.42 -0.16 1.79 1.43 -1.21 -4.60 118.68 118.60 2qf7 s LEU 615 Ca 0.18 2.57 -0.05 0.00 -1.03 0.00 0.00 54.13 55.81 2qf7 s LEU 615 Cb -0.11 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2qf7 s LEU 615 CO 0.09 -0.49 -0.02 -0.76 0.23 0.00 0.00 176.35 175.41 2qf7 s LEU 616 N -1.84 3.38 -0.04 1.79 1.43 -1.26 -1.45 118.68 120.69 2qf7 s LEU 616 Ca 0.49 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2qf7 s LEU 616 Cb -0.37 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2qf7 s LEU 616 CO 0.49 0.17 -0.24 -1.58 0.23 0.00 0.00 176.35 175.42 2qf7 s GLN 617 N 0.36 2.25 0.27 1.70 0.74 0.01 -1.25 119.66 123.75 2qf7 s GLN 617 Ca -0.03 -0.86 0.11 0.00 0.05 0.00 0.00 55.36 54.64 2qf7 s GLN 617 Cb -0.14 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.93 2qf7 s GLN 617 CO 0.02 0.41 -0.16 0.00 -0.55 0.00 0.00 175.29 175.02 2qf7 s MET 618 N -0.28 1.81 -0.22 1.67 0.23 -0.71 -1.35 119.30 120.47 2qf7 s MET 618 Ca 0.01 -1.67 -0.13 0.00 -1.03 0.00 0.00 55.69 52.87 2qf7 s MET 618 Cb -0.12 -1.87 -0.04 0.00 -1.53 0.00 0.00 34.83 31.27 2qf7 s MET 618 CO 0.02 0.34 0.28 -1.17 -2.03 0.00 0.00 175.02 172.47 2qf7 s LEU 619 N -3.49 4.14 -0.09 0.18 2.96 -0.71 -1.67 118.68 120.01 2qf7 s LEU 619 Ca 0.30 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 2qf7 s LEU 619 Cb -0.06 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 2qf7 s LEU 619 CO 0.16 0.00 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.74 2qf7 s LEU 620 N 1.13 2.05 -0.06 -0.68 2.96 0.26 -2.81 118.68 121.52 2qf7 s LEU 620 Ca 0.14 -0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 53.27 2qf7 s LEU 620 Cb -0.14 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 2qf7 s LEU 620 CO 0.06 0.17 0.80 -0.60 -1.32 0.00 0.00 176.35 175.46 2qf7 s ARG 621 N 0.24 4.45 0.19 1.98 3.00 -0.46 -1.80 118.95 126.55 2qf7 s ARG 621 Ca -0.15 1.06 -0.12 0.00 -1.00 0.00 0.00 55.73 55.52 2qf7 s ARG 621 Cb -0.17 -3.47 0.19 0.00 0.00 0.00 0.00 34.95 31.50 2qf7 s ARG 621 CO 0.07 -0.03 1.77 0.78 0.00 0.00 0.00 175.30 177.90 2qf7 h GLY 622 N 7.01 0.77 1.58 8.12 0.00 -1.21 0.16 103.07 119.50 2qf7 h GLY 622 Ca -0.39 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 2qf7 h GLY 622 CO 0.77 0.07 -0.38 0.00 0.00 0.00 0.00 176.54 176.99 2qf7 h ALA 623 N 1.33 0.95 0.00 3.60 0.00 -1.79 -3.40 119.26 119.95 2qf7 h ALA 623 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qf7 h ALA 623 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qf7 h ALA 623 CO -0.21 0.62 -0.38 0.27 0.00 0.00 0.00 179.25 179.55 2qf7 n ASN 624 N -4.04 0.00 0.00 0.00 6.94 -1.07 -4.43 115.26 112.66 2qf7 n ASN 624 Ca -0.01 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 2qf7 n ASN 624 Cb 0.49 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 2qf7 n ASN 624 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qf7 n GLY 625 N 0.00 1.49 0.21 4.83 0.00 0.52 -1.57 105.19 110.67 2qf7 n GLY 625 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2qf7 n GLY 625 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qf7 n VAL 626 N 0.00 0.96 -1.11 1.61 0.24 -1.26 -1.35 118.33 117.42 2qf7 n VAL 626 Ca 0.00 -0.98 -0.04 0.00 -2.04 0.00 0.00 64.34 61.28 2qf7 n VAL 626 Cb 0.00 0.52 0.03 0.00 -1.47 0.00 0.00 33.84 32.92 2qf7 n VAL 626 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qf7 n GLY 627 N -0.14 -1.20 0.01 7.63 0.00 -0.61 -4.82 105.19 106.06 2qf7 n GLY 627 Ca 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2qf7 n GLY 627 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2qf7 n TYR 628 N -2.24 0.00 -3.82 1.61 0.18 -1.26 -5.00 117.16 106.63 2qf7 n TYR 628 Ca 0.02 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.78 2qf7 n TYR 628 Cb 0.07 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.03 2qf7 n TYR 628 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 2qf7 n THR 629 N -0.42 0.00 -3.23 -3.48 5.66 -1.26 -5.15 114.28 106.41 2qf7 n THR 629 Ca 0.00 -0.31 -0.34 0.00 -3.05 0.00 0.00 64.05 60.35 2qf7 n THR 629 Cb 0.01 0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 68.90 2qf7 n THR 629 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qf7 s ASN 630 N -1.34 6.86 0.14 1.09 0.02 -1.26 -4.68 114.94 115.78 2qf7 s ASN 630 Ca 0.05 1.22 0.07 0.00 -1.02 0.00 0.00 52.86 53.18 2qf7 s ASN 630 Cb 0.00 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.89 2qf7 s ASN 630 CO 0.04 -0.02 -0.15 -0.31 0.02 0.00 0.00 177.10 176.68 2qf7 s TYR 631 N -1.65 1.54 0.49 2.20 2.02 -1.26 -5.10 117.35 115.58 2qf7 s TYR 631 Ca 0.45 -0.54 -0.22 0.00 -0.37 0.00 0.00 57.07 56.39 2qf7 s TYR 631 Cb -0.14 -0.79 -0.09 0.00 -0.40 0.00 0.00 41.96 40.55 2qf7 s TYR 631 CO 0.20 0.21 1.01 -2.30 -1.57 0.00 0.00 175.55 173.09 2qf7 n PRO 632 N 0.39 1.24 -0.31 -1.71 -0.02 -1.26 -4.77 135.00 128.56 2qf7 n PRO 632 Ca -0.14 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 2qf7 n PRO 632 Cb 0.57 -2.11 0.11 0.00 -0.02 0.00 0.00 33.50 32.05 2qf7 n PRO 632 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2qf7 h ASP 633 N 1.22 -0.86 -0.38 2.55 3.32 -1.80 -0.59 116.42 119.88 2qf7 h ASP 633 Ca -0.46 0.26 0.08 0.00 0.02 0.00 0.00 57.03 56.93 2qf7 h ASP 633 Cb 1.34 0.56 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 2qf7 h ASP 633 CO 0.55 -0.29 0.26 -0.55 -1.72 0.00 0.00 179.24 177.49 2qf7 h ASN 634 N -0.01 0.13 -0.12 6.45 -1.07 -1.90 0.70 115.58 119.76 2qf7 h ASN 634 Ca 0.41 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.66 2qf7 h ASN 634 Cb 0.63 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 2qf7 h ASN 634 CO -0.90 0.08 -0.42 0.58 0.07 0.00 0.00 177.43 176.85 2qf7 h VAL 635 N 0.14 1.37 -0.49 6.14 2.07 -1.48 -1.35 116.25 122.67 2qf7 h VAL 635 Ca 0.18 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 2qf7 h VAL 635 Cb 0.51 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2qf7 h VAL 635 CO -0.02 0.52 0.11 0.58 0.02 0.00 0.00 177.57 178.77 2qf7 h VAL 636 N 0.09 1.24 -0.74 2.57 2.07 -0.65 -1.31 116.25 119.52 2qf7 h VAL 636 Ca -0.02 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2qf7 h VAL 636 Cb 1.05 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2qf7 h VAL 636 CO 0.09 0.31 0.42 0.11 0.02 0.00 0.00 177.57 178.52 2qf7 h LYS 637 N 0.67 1.02 -0.49 1.57 1.57 -0.91 -2.10 116.57 117.90 2qf7 h LYS 637 Ca 0.15 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2qf7 h LYS 637 Cb 0.34 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2qf7 h LYS 637 CO 0.00 0.74 0.32 -0.92 -0.57 0.00 0.00 179.45 179.03 2qf7 h TYR 638 N 1.01 0.61 -0.29 -1.35 3.20 -0.89 -1.04 116.97 118.22 2qf7 h TYR 638 Ca 0.26 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2qf7 h TYR 638 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2qf7 h TYR 638 CO -0.01 0.39 0.17 0.35 -1.64 0.00 0.00 178.16 177.42 2qf7 h PHE 639 N 0.66 0.40 -0.78 -3.82 3.57 -1.09 -1.39 116.94 114.49 2qf7 h PHE 639 Ca 0.18 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2qf7 h PHE 639 Cb -0.08 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 2qf7 h PHE 639 CO -0.04 0.31 0.50 0.28 -2.23 0.00 0.00 178.31 177.13 2qf7 h VAL 640 N 0.37 1.12 -0.42 1.41 2.07 -1.19 0.55 116.25 120.16 2qf7 h VAL 640 Ca 0.10 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2qf7 h VAL 640 Cb 0.04 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2qf7 h VAL 640 CO -0.02 0.18 0.15 -0.09 0.02 0.00 0.00 177.57 177.81 2qf7 h ARG 641 N 0.97 0.31 -0.62 1.57 1.12 -0.88 -1.67 114.38 115.17 2qf7 h ARG 641 Ca 0.31 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 59.07 2qf7 h ARG 641 Cb 0.01 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 2qf7 h ARG 641 CO -0.11 0.20 0.04 1.96 -3.11 0.00 0.00 179.97 178.95 2qf7 h GLN 642 N 0.31 1.07 -0.72 0.20 1.08 -0.65 -2.13 115.11 114.28 2qf7 h GLN 642 Ca 0.19 -0.32 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2qf7 h GLN 642 Cb 0.18 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 2qf7 h GLN 642 CO -0.20 1.03 0.45 0.00 -0.95 0.00 0.00 178.83 179.16 2qf7 h ALA 643 N 1.00 0.94 -0.21 3.87 0.00 -0.60 0.31 119.26 124.58 2qf7 h ALA 643 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qf7 h ALA 643 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qf7 h ALA 643 CO 0.02 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.60 2qf7 h ALA 644 N 1.31 0.27 -0.67 0.00 0.00 -1.21 -1.78 119.26 117.18 2qf7 h ALA 644 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2qf7 h ALA 644 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2qf7 h ALA 644 CO -0.12 -0.17 0.26 0.87 0.00 0.00 0.00 179.25 180.09 2qf7 h LYS 645 N 0.21 0.99 0.00 0.00 1.57 -0.83 -2.97 116.57 115.53 2qf7 h LYS 645 Ca 0.07 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2qf7 h LYS 645 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2qf7 h LYS 645 CO -0.01 0.81 0.00 0.78 -0.57 0.00 0.00 179.45 180.46 2qf7 h GLY 646 N 1.05 0.00 0.00 3.86 0.00 -0.10 -3.46 103.07 104.41 2qf7 h GLY 646 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2qf7 h GLY 646 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 2qf7 n GLY 647 N 0.16 -0.51 3.72 4.60 0.00 -1.04 -4.26 105.19 107.87 2qf7 n GLY 647 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2qf7 n GLY 647 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf7 s ILE 648 N -0.47 4.25 -0.13 -0.61 -1.09 -0.70 -4.57 121.20 117.87 2qf7 s ILE 648 Ca 0.00 1.75 0.09 0.00 -2.23 0.00 0.00 60.65 60.26 2qf7 s ILE 648 Cb 0.00 -4.12 -0.14 0.00 -1.58 0.00 0.00 42.46 36.62 2qf7 s ILE 648 CO 0.00 0.21 0.00 0.47 -1.23 0.00 0.00 174.94 174.40 2qf7 n ASP 649 N 3.21 2.14 -3.82 3.58 8.00 -0.38 -4.48 116.55 124.81 2qf7 n ASP 649 Ca 0.05 -0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 2qf7 n ASP 649 Cb 0.48 0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 41.99 2qf7 n ASP 649 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qf7 s LEU 650 N -5.12 1.39 -0.32 0.64 0.20 -0.92 -1.02 118.68 113.53 2qf7 s LEU 650 Ca -0.09 -0.69 -0.10 0.00 0.69 0.00 0.00 54.13 53.94 2qf7 s LEU 650 Cb 0.04 -0.75 -0.00 0.00 -0.43 0.00 0.00 46.19 45.04 2qf7 s LEU 650 CO 0.47 -0.24 0.17 -0.36 -0.29 0.00 0.00 176.35 176.11 2qf7 s PHE 651 N 1.74 3.19 -0.43 5.38 0.08 -0.22 -1.74 117.98 125.98 2qf7 s PHE 651 Ca 0.00 -0.56 -0.22 0.00 0.12 0.00 0.00 56.93 56.27 2qf7 s PHE 651 Cb -0.16 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2qf7 s PHE 651 CO -0.07 -0.46 0.74 0.50 -0.10 0.00 0.00 175.22 175.82 2qf7 s ARG 652 N 1.63 3.42 -0.14 0.44 3.52 -0.67 -1.08 118.95 126.06 2qf7 s ARG 652 Ca 0.05 -0.13 -0.06 0.00 -0.13 0.00 0.00 55.73 55.46 2qf7 s ARG 652 Cb -0.17 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.26 2qf7 s ARG 652 CO 0.07 -1.04 0.05 0.08 -0.81 0.00 0.00 175.30 173.65 2qf7 s VAL 653 N 3.11 4.73 0.13 7.11 1.01 0.12 -0.57 120.40 136.04 2qf7 s VAL 653 Ca 0.28 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2qf7 s VAL 653 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2qf7 s VAL 653 CO 0.21 0.53 -0.04 0.72 0.00 0.00 0.00 175.10 176.52 2qf7 s PHE 654 N -0.25 1.04 -0.03 5.22 -0.12 -0.74 -0.54 117.98 122.56 2qf7 s PHE 654 Ca 0.08 -0.95 0.04 0.00 -0.05 0.00 0.00 56.93 56.05 2qf7 s PHE 654 Cb -0.12 -0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 41.68 2qf7 s PHE 654 CO 0.02 -0.17 -0.15 0.34 -0.05 0.00 0.00 175.22 175.21 2qf7 s ASP 655 N -3.10 1.89 0.01 1.98 2.15 -1.26 -0.74 116.67 117.60 2qf7 s ASP 655 Ca 0.17 -0.30 0.10 0.00 0.43 0.00 0.00 52.55 52.95 2qf7 s ASP 655 Cb 0.05 -0.47 0.44 0.00 -0.30 0.00 0.00 42.92 42.65 2qf7 s ASP 655 CO -0.01 0.14 1.33 0.00 -0.17 0.00 0.00 175.17 176.46 2qf7 n LEU 657 N -1.53 2.19 -3.82 0.00 4.77 -1.26 -4.37 117.00 112.98 2qf7 n LEU 657 Ca 0.02 -2.04 -0.29 0.00 -0.03 0.00 0.00 56.01 53.67 2qf7 n LEU 657 Cb 0.12 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2qf7 n LEU 657 CO 0.09 0.55 0.10 0.59 -1.33 0.00 0.00 177.39 177.39 2qf7 n ASN 658 N -0.35 -4.85 -4.44 -1.43 3.02 -0.33 -4.74 115.26 102.14 2qf7 n ASN 658 Ca 0.03 -0.72 -0.44 0.00 -0.03 0.00 0.00 54.58 53.42 2qf7 n ASN 658 Cb 0.30 -3.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 2qf7 n ASN 658 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2qf7 s TRP 659 N -3.26 3.00 0.24 3.10 -0.00 -1.26 -4.93 118.94 115.83 2qf7 s TRP 659 Ca 0.63 -0.59 -0.05 0.00 -0.00 0.00 0.00 56.10 56.09 2qf7 s TRP 659 Cb -0.32 -3.71 0.35 0.00 -0.00 0.00 0.00 33.47 29.80 2qf7 s TRP 659 CO 0.78 -1.14 1.83 0.28 -0.00 0.00 0.00 176.95 178.70 2qf7 h VAL 660 N 5.89 0.99 -0.95 5.86 2.07 -1.95 -1.47 116.25 126.69 2qf7 h VAL 660 Ca -0.28 -0.31 0.26 0.00 0.82 0.00 0.00 66.70 67.20 2qf7 h VAL 660 Cb 1.09 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.74 2qf7 h VAL 660 CO 1.01 0.16 0.45 -0.08 0.02 0.00 0.00 177.57 179.13 2qf7 h GLU 661 N 0.89 0.35 0.00 1.57 4.81 -2.00 0.18 114.58 120.38 2qf7 h GLU 661 Ca 0.38 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2qf7 h GLU 661 Cb 0.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2qf7 h GLU 661 CO -0.20 0.23 0.00 -1.71 -0.73 0.00 0.00 179.01 176.60 2qf7 n ASN 662 N -5.06 0.00 -0.01 1.04 5.15 -0.56 -3.21 115.26 112.61 2qf7 n ASN 662 Ca 0.26 -0.08 0.10 0.00 -0.60 0.00 0.00 54.58 54.26 2qf7 n ASN 662 Cb 0.79 -0.30 -0.15 0.00 -0.53 0.00 0.00 39.78 39.59 2qf7 n ASN 662 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2qf7 n MET 663 N -1.30 0.56 -0.23 1.20 2.81 0.62 -3.60 117.12 117.17 2qf7 n MET 663 Ca 0.13 -0.15 -0.05 0.00 -1.81 0.00 0.00 57.70 55.82 2qf7 n MET 663 Cb 0.23 -1.48 0.10 0.00 -0.71 0.00 0.00 33.22 31.36 2qf7 n MET 663 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qf7 h ARG 664 N 0.00 1.07 -0.45 0.03 3.08 -1.47 -1.47 114.38 115.18 2qf7 h ARG 664 Ca 0.00 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 59.88 2qf7 h ARG 664 Cb 0.84 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 2qf7 h ARG 664 CO 0.00 0.91 0.18 0.28 -1.07 0.00 0.00 179.97 180.27 2qf7 h VAL 665 N 1.04 0.89 -0.24 2.04 2.07 -1.83 -0.37 116.25 119.85 2qf7 h VAL 665 Ca 0.23 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 2qf7 h VAL 665 Cb 0.28 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qf7 h VAL 665 CO -0.01 0.07 -0.25 0.28 0.02 0.00 0.00 177.57 177.68 2qf7 h SER 666 N 0.37 0.64 -0.56 0.57 0.02 -1.68 -1.99 113.55 110.91 2qf7 h SER 666 Ca 0.20 -0.48 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2qf7 h SER 666 Cb 0.17 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 2qf7 h SER 666 CO -0.19 0.98 0.23 0.24 -1.14 0.00 0.00 176.83 176.96 2qf7 h MET 667 N 0.30 0.42 -0.43 3.45 2.07 -1.10 0.11 114.93 119.75 2qf7 h MET 667 Ca 0.04 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.57 2qf7 h MET 667 Cb 0.81 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.43 2qf7 h MET 667 CO 0.06 0.28 -0.00 -0.44 1.07 0.00 0.00 176.91 177.88 2qf7 h ASP 668 N 0.43 0.75 -0.76 1.22 3.32 -0.96 -2.10 116.42 118.32 2qf7 h ASP 668 Ca 0.27 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2qf7 h ASP 668 Cb 0.28 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2qf7 h ASP 668 CO -0.25 0.88 0.49 0.00 -1.72 0.00 0.00 179.24 178.64 2qf7 h ALA 669 N 0.90 0.99 -0.14 3.45 0.00 -0.97 -0.74 119.26 122.76 2qf7 h ALA 669 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qf7 h ALA 669 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qf7 h ALA 669 CO 0.02 0.30 0.07 0.82 0.00 0.00 0.00 179.25 180.46 2qf7 h ILE 670 N 0.96 1.12 -0.94 0.00 2.04 -0.76 -2.45 117.51 117.47 2qf7 h ILE 670 Ca 0.30 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2qf7 h ILE 670 Cb -0.01 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2qf7 h ILE 670 CO -0.10 0.11 0.62 0.00 0.00 0.00 0.00 178.15 178.78 2qf7 h ALA 671 N 0.94 1.35 -0.29 1.87 0.00 -1.26 -1.51 119.26 120.35 2qf7 h ALA 671 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qf7 h ALA 671 Cb 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qf7 h ALA 671 CO -0.01 0.58 0.20 1.49 0.00 0.00 0.00 179.25 181.52 2qf7 h GLU 672 N 1.24 0.29 -0.04 0.00 4.57 -0.88 -1.72 114.58 118.04 2qf7 h GLU 672 Ca 0.36 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2qf7 h GLU 672 Cb -0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2qf7 h GLU 672 CO -0.09 0.19 0.00 0.39 -1.18 0.00 0.00 179.01 178.32 2qf7 n GLU 673 N -4.49 1.55 -2.94 1.92 -0.58 -0.59 -4.92 120.64 110.58 2qf7 n GLU 673 Ca 0.02 -0.80 -0.19 0.00 -0.42 0.00 0.00 57.16 55.76 2qf7 n GLU 673 Cb 0.15 -1.46 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2qf7 n GLU 673 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2qf7 n ASN 674 N -0.01 -5.54 -4.82 1.62 5.15 -0.65 -5.01 115.26 106.00 2qf7 n ASN 674 Ca 0.19 -0.26 -0.25 0.00 -0.60 0.00 0.00 54.58 53.66 2qf7 n ASN 674 Cb 0.30 -4.37 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 2qf7 n ASN 674 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qf7 s LYS 675 N -5.56 2.28 0.03 1.20 -0.14 -1.07 -4.60 119.74 111.87 2qf7 s LYS 675 Ca 0.27 -1.92 -0.28 0.00 -1.36 0.00 0.00 55.97 52.69 2qf7 s LYS 675 Cb -0.12 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 2qf7 s LYS 675 CO 0.34 -0.32 0.89 -0.51 -0.76 0.00 0.00 175.35 174.98 2qf7 s LEU 676 N -4.06 4.41 -0.40 3.17 1.43 -0.19 -4.48 118.68 118.57 2qf7 s LEU 676 Ca 0.36 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 54.97 2qf7 s LEU 676 Cb 0.01 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.87 2qf7 s LEU 676 CO 0.21 -0.13 0.21 0.00 0.23 0.00 0.00 176.35 176.87 2qf7 s GLU 678 N 1.36 2.60 -0.25 0.00 2.12 -0.24 -0.59 118.70 123.69 2qf7 s GLU 678 Ca 0.03 -1.61 -0.20 0.00 0.36 0.00 0.00 54.97 53.54 2qf7 s GLU 678 Cb -0.22 -3.91 -0.02 0.00 0.26 0.00 0.00 34.13 30.24 2qf7 s GLU 678 CO 0.01 -1.10 0.62 0.00 -0.54 0.00 0.00 175.26 174.25 2qf7 s ALA 679 N 1.42 3.61 0.08 6.30 0.00 -0.64 -0.71 121.76 131.82 2qf7 s ALA 679 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 2qf7 s ALA 679 Cb -0.25 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2qf7 s ALA 679 CO 0.01 -0.79 0.49 0.00 0.00 0.00 0.00 175.76 175.48 2qf7 s ALA 680 N 2.45 3.63 -0.21 0.00 0.00 0.30 -1.04 121.76 126.90 2qf7 s ALA 680 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2qf7 s ALA 680 Cb -0.16 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2qf7 s ALA 680 CO 0.09 0.46 -0.04 0.42 0.00 0.00 0.00 175.76 176.69 2qf7 s ILE 681 N -1.26 3.52 0.13 0.00 1.01 0.02 -4.60 121.20 120.02 2qf7 s ILE 681 Ca 0.31 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 2qf7 s ILE 681 Cb -0.16 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 2qf7 s ILE 681 CO 0.17 0.43 1.03 0.00 0.00 0.00 0.00 174.94 176.58 2qf7 s TYR 683 N 0.03 3.69 0.21 0.00 5.04 -1.26 -4.99 117.35 120.07 2qf7 s TYR 683 Ca 0.49 0.97 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 2qf7 s TYR 683 Cb -0.26 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.72 2qf7 s TYR 683 CO 0.32 0.55 0.47 -0.08 -1.34 0.00 0.00 175.55 175.47 2qf7 s THR 684 N -0.76 0.03 0.00 4.34 -1.32 -1.26 -4.61 115.64 112.07 2qf7 s THR 684 Ca 0.24 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 2qf7 s THR 684 Cb -0.16 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 2qf7 s THR 684 CO 0.13 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2qf7 n GLY 685 N -0.33 2.10 3.15 6.08 0.00 -1.26 -4.74 105.19 110.19 2qf7 n GLY 685 Ca -0.07 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.46 2qf7 n GLY 685 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qf7 s ASP 686 N -4.00 -1.06 0.55 1.61 -1.08 -1.26 -4.89 116.67 106.54 2qf7 s ASP 686 Ca 0.00 0.58 0.31 0.00 -0.52 0.00 0.00 52.55 52.92 2qf7 s ASP 686 Cb 0.00 1.86 1.58 0.00 -1.46 0.00 0.00 42.92 44.90 2qf7 s ASP 686 CO 0.00 -0.20 2.10 0.16 0.52 0.00 0.00 175.17 177.75 2qf7 h ILE 687 N 5.71 0.35 -0.39 4.11 3.07 -1.85 -1.83 117.51 126.68 2qf7 h ILE 687 Ca -0.17 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.77 2qf7 h ILE 687 Cb 1.17 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2qf7 h ILE 687 CO 0.12 0.08 0.00 0.18 -1.05 0.00 0.00 178.15 177.47 2qf7 n LEU 688 N -3.42 2.44 -4.26 0.16 4.77 -1.26 -4.57 117.00 110.85 2qf7 n LEU 688 Ca -0.01 -1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 54.40 2qf7 n LEU 688 Cb 0.23 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2qf7 n LEU 688 CO 0.28 0.58 -0.05 0.21 -1.33 0.00 0.00 177.39 177.08 2qf7 s ASN 689 N -1.20 5.73 0.00 -1.43 3.84 -0.69 -4.93 114.94 116.26 2qf7 s ASN 689 Ca 0.33 -1.67 0.05 0.00 0.21 0.00 0.00 52.86 51.77 2qf7 s ASN 689 Cb 0.18 -2.02 0.29 0.00 -0.55 0.00 0.00 41.25 39.15 2qf7 s ASN 689 CO 0.24 -0.63 1.09 -1.54 -2.79 0.00 0.00 177.10 173.47 2qf7 n SER 690 N 4.95 0.00 -0.73 -4.21 3.41 -1.26 -1.97 113.62 113.81 2qf7 n SER 690 Ca -0.10 -1.63 0.08 0.00 -0.26 0.00 0.00 58.87 56.96 2qf7 n SER 690 Cb 0.42 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.49 2qf7 n SER 690 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qf7 n ALA 691 N -0.59 2.40 -3.06 7.33 0.00 -1.26 -4.45 120.51 120.89 2qf7 n ALA 691 Ca 0.04 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.42 2qf7 n ALA 691 Cb 0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2qf7 n ALA 691 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qf7 n ARG 692 N 0.92 2.49 0.00 0.00 3.00 -0.83 -4.99 116.66 117.25 2qf7 n ARG 692 Ca 0.12 -4.41 0.12 0.00 -0.01 0.00 0.00 57.85 53.67 2qf7 n ARG 692 Cb 0.43 -2.06 0.60 0.00 0.00 0.00 0.00 32.46 31.42 2qf7 n ARG 692 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2qf7 n PRO 693 N 0.07 0.26 -0.27 5.56 -0.04 -1.26 -3.42 135.00 135.90 2qf7 n PRO 693 Ca 0.29 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.85 2qf7 n PRO 693 Cb 0.47 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 2qf7 n PRO 693 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2qf7 h LYS 694 N 0.00 0.61 -2.45 0.54 3.64 -1.94 -2.94 116.57 114.03 2qf7 h LYS 694 Ca 0.00 -0.04 -0.72 0.00 -1.27 0.00 0.00 60.65 58.63 2qf7 h LYS 694 Cb 0.28 -0.14 -0.34 0.00 -0.41 0.00 0.00 32.23 31.62 2qf7 h LYS 694 CO 0.00 0.41 0.23 0.66 -2.27 0.00 0.00 179.45 178.48 2qf7 n TYR 695 N -4.85 3.06 -2.52 1.91 4.01 -1.22 -4.85 117.16 112.70 2qf7 n TYR 695 Ca 0.13 -3.24 -0.24 0.00 -0.16 0.00 0.00 57.90 54.40 2qf7 n TYR 695 Cb 0.33 -0.92 0.13 0.00 -0.31 0.00 0.00 39.34 38.57 2qf7 n TYR 695 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2qf7 n ASP 696 N 0.57 1.19 -0.17 7.72 5.75 -1.11 -3.99 116.55 126.51 2qf7 n ASP 696 Ca 0.33 -2.06 -0.05 0.00 -0.01 0.00 0.00 54.79 53.00 2qf7 n ASP 696 Cb 0.34 -0.71 0.04 0.00 -1.03 0.00 0.00 41.12 39.77 2qf7 n ASP 696 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2qf7 h LEU 697 N 0.00 0.46 -1.59 -2.12 5.85 -1.91 -2.34 115.31 113.66 2qf7 h LEU 697 Ca -0.35 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2qf7 h LEU 697 Cb 1.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2qf7 h LEU 697 CO 0.35 0.32 0.28 0.50 -0.34 0.00 0.00 178.44 179.55 2qf7 h LYS 698 N 0.58 0.55 -0.57 1.25 1.63 -1.97 -1.74 116.57 116.30 2qf7 h LYS 698 Ca 0.21 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.09 2qf7 h LYS 698 Cb 0.05 -0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 31.45 2qf7 h LYS 698 CO -0.11 0.36 -0.13 -0.92 -3.45 0.00 0.00 179.45 175.20 2qf7 h TYR 699 N 0.56 -0.28 -0.11 1.91 3.20 -1.74 0.14 116.97 120.65 2qf7 h TYR 699 Ca 0.15 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.88 2qf7 h TYR 699 Cb -0.06 0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2qf7 h TYR 699 CO 0.00 -0.24 -0.70 1.88 -1.64 0.00 0.00 178.16 177.46 2qf7 h TYR 700 N 0.01 0.91 -0.10 -3.82 0.05 -1.35 -2.75 116.97 109.91 2qf7 h TYR 700 Ca 0.27 -0.42 -0.17 0.00 0.05 0.00 0.00 58.73 58.47 2qf7 h TYR 700 Cb 0.42 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2qf7 h TYR 700 CO -0.46 1.23 -0.66 1.79 -1.05 0.00 0.00 178.16 179.01 2qf7 h THR 701 N 0.32 1.37 -0.65 -2.88 1.35 -1.18 -1.24 112.91 110.00 2qf7 h THR 701 Ca -0.06 -2.02 -0.01 0.00 -0.55 0.00 0.00 66.41 63.77 2qf7 h THR 701 Cb 1.34 2.01 -0.03 0.00 -1.73 0.00 0.00 68.15 69.74 2qf7 h THR 701 CO 0.14 0.61 0.36 0.78 -0.25 0.00 0.00 175.52 177.16 2qf7 h ASN 702 N 0.29 0.81 -0.81 5.36 2.35 -0.80 -1.78 115.58 121.00 2qf7 h ASN 702 Ca -0.02 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2qf7 h ASN 702 Cb 1.21 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 2qf7 h ASN 702 CO 0.11 0.67 0.44 -0.07 -1.65 0.00 0.00 177.43 176.93 2qf7 h LEU 703 N 0.89 1.01 -0.47 1.61 3.38 -1.22 -1.52 115.31 118.99 2qf7 h LEU 703 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2qf7 h LEU 703 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qf7 h LEU 703 CO -0.04 0.82 0.22 0.00 0.09 0.00 0.00 178.44 179.53 2qf7 h ALA 704 N 1.23 0.60 -0.44 1.53 0.00 -0.88 -0.10 119.26 121.20 2qf7 h ALA 704 Ca 0.28 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qf7 h ALA 704 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2qf7 h ALA 704 CO -0.04 0.18 0.23 0.28 0.00 0.00 0.00 179.25 179.89 2qf7 h VAL 705 N 0.61 0.98 -0.32 0.00 2.07 -1.20 -0.57 116.25 117.83 2qf7 h VAL 705 Ca 0.16 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2qf7 h VAL 705 Cb 0.13 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2qf7 h VAL 705 CO -0.02 0.08 -0.19 -0.33 0.02 0.00 0.00 177.57 177.13 2qf7 h GLU 706 N 0.46 0.58 -0.34 1.57 4.39 -0.90 -1.62 114.58 118.72 2qf7 h GLU 706 Ca 0.19 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2qf7 h GLU 706 Cb 0.08 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2qf7 h GLU 706 CO -0.13 0.74 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.00 2qf7 h LEU 707 N 0.52 0.89 -0.62 1.33 3.38 -0.82 -0.42 115.31 119.56 2qf7 h LEU 707 Ca 0.08 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2qf7 h LEU 707 Cb 0.62 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2qf7 h LEU 707 CO 0.04 1.17 0.34 -0.08 0.09 0.00 0.00 178.44 180.00 2qf7 h GLU 708 N 0.68 0.62 0.00 1.13 4.81 -0.93 -1.77 114.58 119.12 2qf7 h GLU 708 Ca 0.05 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2qf7 h GLU 708 Cb 0.96 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2qf7 h GLU 708 CO 0.09 0.41 -0.26 0.87 -0.73 0.00 0.00 179.01 179.40 2qf7 h LYS 709 N 0.64 0.00 -0.00 1.92 1.57 -0.96 -1.38 116.57 118.36 2qf7 h LYS 709 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2qf7 h LYS 709 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2qf7 h LYS 709 CO -0.17 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2qf7 n ALA 710 N -2.42 2.65 -0.09 3.86 0.00 -0.19 -4.90 120.51 119.42 2qf7 n ALA 710 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qf7 n ALA 710 Cb 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qf7 n ALA 710 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qf7 n GLY 711 N 0.90 0.95 3.74 0.00 0.00 -0.52 -4.80 105.19 105.46 2qf7 n GLY 711 Ca 0.19 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2qf7 n GLY 711 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 712 N -2.00 2.64 -0.12 4.61 0.00 -0.71 -4.90 121.76 121.27 2qf7 s ALA 712 Ca 0.00 1.26 0.17 0.00 0.00 0.00 0.00 51.96 53.40 2qf7 s ALA 712 Cb 0.00 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.35 2qf7 s ALA 712 CO 0.00 -1.43 0.51 0.72 0.00 0.00 0.00 175.76 175.55 2qf7 n HIS 713 N -1.39 0.52 -3.84 0.00 8.25 0.24 -4.81 115.22 114.20 2qf7 n HIS 713 Ca 0.13 0.18 -0.12 0.00 -0.26 0.00 0.00 57.72 57.64 2qf7 n HIS 713 Cb 0.46 -0.99 -0.11 0.00 1.12 0.00 0.00 29.99 30.48 2qf7 n HIS 713 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qf7 s ILE 714 N -2.83 0.04 -0.15 1.59 1.01 -1.06 -4.38 121.20 115.42 2qf7 s ILE 714 Ca -0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 2qf7 s ILE 714 Cb 0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 2qf7 s ILE 714 CO 0.83 -0.19 0.05 -0.63 0.00 0.00 0.00 174.94 175.00 2qf7 s ILE 715 N -0.67 4.68 0.08 2.92 -1.09 -0.56 -1.62 121.20 124.94 2qf7 s ILE 715 Ca -0.08 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 2qf7 s ILE 715 Cb -0.04 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 2qf7 s ILE 715 CO 0.01 0.52 0.04 0.00 -1.23 0.00 0.00 174.94 174.28 2qf7 s ALA 716 N -0.12 3.43 0.32 9.38 0.00 -0.21 -0.86 121.76 133.70 2qf7 s ALA 716 Ca 0.06 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2qf7 s ALA 716 Cb -0.12 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.71 2qf7 s ALA 716 CO 0.01 0.72 0.34 0.28 0.00 0.00 0.00 175.76 177.12 2qf7 n VAL 717 N 0.57 0.00 0.00 0.00 0.31 -0.24 -0.80 118.33 118.17 2qf7 n VAL 717 Ca -0.10 -1.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.06 2qf7 n VAL 717 Cb 0.52 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2qf7 n VAL 717 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qf7 n ASP 719 N -2.26 0.00 0.24 4.52 2.03 0.13 -1.05 116.55 120.15 2qf7 n ASP 719 Ca 0.04 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.46 2qf7 n ASP 719 Cb 0.35 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 41.34 2qf7 n ASP 719 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qf7 h MET 720 N 0.00 0.00 -0.03 -0.67 -0.00 -1.81 -2.04 114.93 110.38 2qf7 h MET 720 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2qf7 h MET 720 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2qf7 h MET 720 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 176.91 177.09 2qf7 n ALA 721 N -2.26 2.46 -2.88 -3.00 0.00 -1.26 -1.23 120.51 112.34 2qf7 n ALA 721 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 2qf7 n ALA 721 Cb 0.33 -0.73 0.03 0.00 0.00 0.00 0.00 19.45 19.09 2qf7 n ALA 721 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qf7 n GLY 722 N 1.21 0.02 0.03 0.00 0.00 -0.77 -4.70 105.19 100.99 2qf7 n GLY 722 Ca 0.13 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2qf7 n GLY 722 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qf7 n LEU 723 N -2.73 0.62 -4.70 0.99 4.77 -1.26 -4.66 117.00 110.03 2qf7 n LEU 723 Ca -0.04 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2qf7 n LEU 723 Cb 0.56 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2qf7 n LEU 723 CO 0.32 0.04 0.95 -0.22 -1.33 0.00 0.00 177.39 177.15 2qf7 s LEU 724 N -3.88 4.34 0.23 2.23 2.96 -1.26 -4.97 118.68 118.32 2qf7 s LEU 724 Ca 0.04 2.01 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 2qf7 s LEU 724 Cb 0.14 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 2qf7 s LEU 724 CO 0.79 -0.55 0.44 -0.54 -1.32 0.00 0.00 176.35 175.18 2qf7 s LYS 725 N 1.52 3.56 0.23 1.98 1.02 -1.26 -4.80 119.74 121.98 2qf7 s LYS 725 Ca 0.59 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.28 2qf7 s LYS 725 Cb -0.29 -2.78 0.32 0.00 -0.52 0.00 0.00 37.83 34.56 2qf7 s LYS 725 CO 0.27 0.34 1.80 -1.35 -0.92 0.00 0.00 175.35 175.49 2qf7 h PRO 726 N 1.91 0.67 -0.43 -1.68 0.11 -1.89 0.79 132.00 131.47 2qf7 h PRO 726 Ca -0.48 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2qf7 h PRO 726 Cb 1.19 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2qf7 h PRO 726 CO 0.67 0.44 -0.06 0.00 -0.21 0.00 0.00 178.00 178.84 2qf7 h ALA 727 N 1.41 1.08 -0.41 -0.75 0.00 -1.95 -1.49 119.26 117.14 2qf7 h ALA 727 Ca 0.35 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2qf7 h ALA 727 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qf7 h ALA 727 CO -0.23 0.57 -0.27 0.00 0.00 0.00 0.00 179.25 179.32 2qf7 h ALA 728 N 1.24 0.59 -0.87 0.00 0.00 -1.74 -2.88 119.26 115.59 2qf7 h ALA 728 Ca 0.13 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2qf7 h ALA 728 Cb 0.51 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2qf7 h ALA 728 CO 0.03 0.60 0.54 0.00 0.00 0.00 0.00 179.25 180.42 2qf7 h ALA 729 N 0.81 1.21 -0.64 0.00 0.00 -0.53 0.14 119.26 120.26 2qf7 h ALA 729 Ca 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qf7 h ALA 729 Cb 0.85 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2qf7 h ALA 729 CO 0.07 0.27 0.40 -0.22 0.00 0.00 0.00 179.25 179.77 2qf7 h LYS 730 N 0.97 0.76 -0.09 0.00 3.64 -1.14 -1.54 116.57 119.17 2qf7 h LYS 730 Ca 0.39 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 2qf7 h LYS 730 Cb 0.20 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2qf7 h LYS 730 CO -0.18 0.50 -0.46 0.28 -2.27 0.00 0.00 179.45 177.32 2qf7 h VAL 731 N 0.78 1.39 0.10 2.00 2.07 -1.27 -3.22 116.25 118.11 2qf7 h VAL 731 Ca 0.25 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2qf7 h VAL 731 Cb 0.01 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2qf7 h VAL 731 CO -0.10 0.54 -0.05 0.25 0.02 0.00 0.00 177.57 178.23 2qf7 h LEU 732 N 0.03 -0.12 -1.02 2.57 5.85 -0.57 -1.84 115.31 120.22 2qf7 h LEU 732 Ca -0.03 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2qf7 h LEU 732 Cb 1.12 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2qf7 h LEU 732 CO 0.10 0.13 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.69 2qf7 h PHE 733 N -0.37 0.25 -0.07 1.25 0.04 -1.45 0.11 116.94 116.70 2qf7 h PHE 733 Ca -0.01 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2qf7 h PHE 733 Cb 0.31 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2qf7 h PHE 733 CO 0.00 0.57 0.03 -0.22 -0.60 0.00 0.00 178.31 178.09 2qf7 h LYS 734 N 0.19 0.10 -0.48 1.51 3.64 -1.55 -2.56 116.57 117.41 2qf7 h LYS 734 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2qf7 h LYS 734 Cb 0.75 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2qf7 h LYS 734 CO 0.06 0.21 0.21 0.00 -2.27 0.00 0.00 179.45 177.66 2qf7 h ALA 735 N 0.89 0.62 -0.59 5.00 0.00 -1.03 -2.50 119.26 121.65 2qf7 h ALA 735 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2qf7 h ALA 735 Cb 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2qf7 h ALA 735 CO -0.00 0.21 0.34 -0.07 0.00 0.00 0.00 179.25 179.73 2qf7 h LEU 736 N 0.64 0.53 -0.61 0.00 3.38 -0.77 -0.37 115.31 118.11 2qf7 h LEU 736 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qf7 h LEU 736 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qf7 h LEU 736 CO -0.02 0.37 0.00 0.03 0.09 0.00 0.00 178.44 178.91 2qf7 h ARG 737 N 0.66 0.00 0.00 1.13 3.08 -1.36 -1.23 114.38 116.66 2qf7 h ARG 737 Ca 0.25 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.05 2qf7 h ARG 737 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2qf7 h ARG 737 CO -0.13 0.00 -1.38 0.93 -1.07 0.00 0.00 179.97 178.33 2qf7 h GLU 738 N 0.00 0.00 0.09 0.04 5.08 -0.99 -3.38 114.58 115.42 2qf7 h GLU 738 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2qf7 h GLU 738 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qf7 h GLU 738 CO 0.00 0.68 -1.15 0.00 -1.00 0.00 0.00 179.01 177.55 2qf7 h ALA 739 N 1.04 0.19 -3.43 3.43 0.00 -0.33 -3.46 119.26 116.70 2qf7 h ALA 739 Ca -0.16 -0.85 -0.40 0.00 0.00 0.00 0.00 54.91 53.50 2qf7 h ALA 739 Cb 1.88 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.43 2qf7 h ALA 739 CO 0.10 0.97 -0.78 -0.08 0.00 0.00 0.00 179.25 179.46 2qf7 s THR 740 N -2.80 1.05 -1.11 0.00 -1.32 -0.54 -4.78 115.64 106.15 2qf7 s THR 740 Ca -0.04 -1.25 0.28 0.00 -1.21 0.00 0.00 61.69 59.48 2qf7 s THR 740 Cb 0.08 -1.01 0.22 0.00 -1.51 0.00 0.00 72.50 70.28 2qf7 s THR 740 CO 0.87 -0.21 1.80 0.61 -2.21 0.00 0.00 174.62 175.47 2qf7 n GLY 741 N 1.37 -1.35 3.76 6.08 0.00 -1.26 -4.46 105.19 109.32 2qf7 n GLY 741 Ca -0.21 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 2qf7 n GLY 741 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf7 s LEU 742 N -2.91 3.54 0.62 0.99 1.43 -1.26 -4.96 118.68 116.13 2qf7 s LEU 742 Ca 0.16 2.21 -0.17 0.00 -1.03 0.00 0.00 54.13 55.31 2qf7 s LEU 742 Cb 0.19 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 2qf7 s LEU 742 CO 0.56 -1.64 1.13 -2.16 0.23 0.00 0.00 176.35 174.47 2qf7 s PRO 743 N -3.66 2.94 -0.01 1.29 0.04 -1.26 -4.82 135.00 129.53 2qf7 s PRO 743 Ca 0.73 1.52 0.07 0.00 0.04 0.00 0.00 61.00 63.35 2qf7 s PRO 743 Cb -0.26 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2qf7 s PRO 743 CO 0.36 -1.16 -0.23 0.42 0.04 0.00 0.00 177.00 176.43 2qf7 s ILE 744 N -2.08 2.31 -0.09 0.56 -1.09 -1.26 -1.50 121.20 118.05 2qf7 s ILE 744 Ca 0.70 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2qf7 s ILE 744 Cb -0.23 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.82 2qf7 s ILE 744 CO 0.37 0.51 -0.08 -2.28 -1.23 0.00 0.00 174.94 172.23 2qf7 s HIS 745 N -0.70 1.36 -0.21 3.97 2.46 -0.04 -1.62 115.29 120.50 2qf7 s HIS 745 Ca 0.11 -0.61 -0.04 0.00 0.47 0.00 0.00 55.06 54.99 2qf7 s HIS 745 Cb -0.10 -1.12 -0.01 0.00 -0.13 0.00 0.00 32.58 31.22 2qf7 s HIS 745 CO 0.00 -0.42 -0.03 0.12 -2.47 0.00 0.00 174.74 171.95 2qf7 s PHE 746 N 1.41 2.97 -0.13 3.88 5.36 0.08 -1.08 117.98 130.47 2qf7 s PHE 746 Ca -0.01 -0.80 0.03 0.00 -0.96 0.00 0.00 56.93 55.19 2qf7 s PHE 746 Cb -0.13 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2qf7 s PHE 746 CO -0.04 -0.46 -0.22 -1.58 -1.46 0.00 0.00 175.22 171.45 2qf7 s HIS 747 N 1.35 2.65 0.23 10.12 5.65 -0.22 -1.84 115.29 133.24 2qf7 s HIS 747 Ca 0.04 -1.27 -0.01 0.00 0.25 0.00 0.00 55.06 54.08 2qf7 s HIS 747 Cb -0.14 -1.79 -0.03 0.00 -1.18 0.00 0.00 32.58 29.43 2qf7 s HIS 747 CO -0.01 -0.56 0.20 -0.08 -0.65 0.00 0.00 174.74 173.63 2qf7 s THR 748 N 0.71 0.00 0.20 0.89 -1.32 -1.26 0.17 115.64 115.02 2qf7 s THR 748 Ca -0.10 -1.94 0.11 0.00 -1.21 0.00 0.00 61.69 58.55 2qf7 s THR 748 Cb -0.16 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2qf7 s THR 748 CO 0.01 0.00 -0.22 -1.00 -2.21 0.00 0.00 174.62 171.19 2qf7 s HIS 749 N -3.99 2.19 -0.33 9.09 3.76 -1.20 -4.43 115.29 120.37 2qf7 s HIS 749 Ca 0.38 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 55.00 2qf7 s HIS 749 Cb 0.05 -1.06 0.72 0.00 1.11 0.00 0.00 32.58 33.40 2qf7 s HIS 749 CO 0.15 0.50 1.80 -3.47 -0.85 0.00 0.00 174.74 172.87 2qf7 n ASP 750 N 0.12 4.59 -0.33 1.40 2.03 0.15 -4.12 116.55 120.39 2qf7 n ASP 750 Ca -0.11 -3.29 0.09 0.00 0.52 0.00 0.00 54.79 51.99 2qf7 n ASP 750 Cb 0.57 -0.75 0.28 0.00 -0.72 0.00 0.00 41.12 40.51 2qf7 n ASP 750 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2qf7 h THR 751 N 2.38 0.90 0.00 5.18 2.02 -0.92 0.05 112.91 122.51 2qf7 h THR 751 Ca 0.30 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qf7 h THR 751 Cb 2.35 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2qf7 h THR 751 CO 0.76 0.16 0.00 0.77 0.37 0.00 0.00 175.52 177.58 2qf7 h SER 752 N 0.90 0.00 -0.02 4.18 4.64 -1.83 -0.54 113.55 120.88 2qf7 h SER 752 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 2qf7 h SER 752 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2qf7 h SER 752 CO -0.25 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.32 2qf7 n GLY 753 N 0.29 0.46 0.02 -0.77 0.00 0.00 -4.11 105.19 101.09 2qf7 n GLY 753 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qf7 n GLY 753 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qf7 n ILE 754 N -2.87 0.47 0.26 -0.61 -5.35 -1.26 -4.86 119.36 105.14 2qf7 n ILE 754 Ca -0.01 -0.48 0.10 0.00 -0.27 0.00 0.00 62.75 62.10 2qf7 n ILE 754 Cb 0.07 0.74 0.69 0.00 -1.74 0.00 0.00 39.64 39.40 2qf7 n ILE 754 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qf7 h ALA 755 N 0.00 1.57 -0.18 -1.28 0.00 -1.85 -0.51 119.26 117.02 2qf7 h ALA 755 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2qf7 h ALA 755 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2qf7 h ALA 755 CO 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 179.25 179.26 2qf7 h ALA 756 N 1.91 1.48 -0.51 0.00 0.00 -1.94 -0.99 119.26 119.21 2qf7 h ALA 756 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2qf7 h ALA 756 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2qf7 h ALA 756 CO 0.01 0.37 0.31 0.00 0.00 0.00 0.00 179.25 179.93 2qf7 h ALA 757 N 1.62 0.66 -0.62 0.00 0.00 -1.46 -0.82 119.26 118.63 2qf7 h ALA 757 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qf7 h ALA 757 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2qf7 h ALA 757 CO 0.02 0.01 0.16 1.15 0.00 0.00 0.00 179.25 180.59 2qf7 h THR 758 N 0.61 1.25 -0.04 0.00 2.02 -1.35 -0.25 112.91 115.16 2qf7 h THR 758 Ca 0.21 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2qf7 h THR 758 Cb 0.02 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2qf7 h THR 758 CO -0.09 0.34 0.03 0.58 0.37 0.00 0.00 175.52 176.75 2qf7 h VAL 759 N 0.91 1.01 -0.68 3.16 2.07 -1.02 -0.03 116.25 121.68 2qf7 h VAL 759 Ca 0.20 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 2qf7 h VAL 759 Cb 0.35 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2qf7 h VAL 759 CO 0.00 0.01 0.37 -0.07 0.02 0.00 0.00 177.57 177.90 2qf7 h LEU 760 N 0.05 0.84 -0.61 2.57 3.38 -0.92 0.45 115.31 121.07 2qf7 h LEU 760 Ca 0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2qf7 h LEU 760 Cb -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qf7 h LEU 760 CO -0.00 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.30 2qf7 h ALA 761 N 1.46 0.81 -0.70 1.53 0.00 -0.87 -1.33 119.26 120.16 2qf7 h ALA 761 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qf7 h ALA 761 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qf7 h ALA 761 CO -0.04 0.56 0.41 0.00 0.00 0.00 0.00 179.25 180.19 2qf7 h ALA 762 N 1.02 0.89 -0.27 0.00 0.00 -0.24 -1.06 119.26 119.60 2qf7 h ALA 762 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qf7 h ALA 762 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qf7 h ALA 762 CO 0.01 0.37 0.13 0.28 0.00 0.00 0.00 179.25 180.05 2qf7 h VAL 763 N 0.95 1.14 0.00 0.00 2.07 -0.75 -0.47 116.25 119.20 2qf7 h VAL 763 Ca 0.25 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2qf7 h VAL 763 Cb -0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2qf7 h VAL 763 CO -0.05 0.14 -0.22 -0.08 0.02 0.00 0.00 177.57 177.39 2qf7 h GLU 764 N 0.31 0.00 -0.03 1.57 4.81 -1.01 -1.10 114.58 119.13 2qf7 h GLU 764 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2qf7 h GLU 764 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2qf7 h GLU 764 CO -0.01 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 2qf7 n ALA 765 N -2.45 2.62 -0.14 2.92 0.00 -0.42 -4.92 120.51 118.12 2qf7 n ALA 765 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2qf7 n ALA 765 Cb 0.28 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2qf7 n ALA 765 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qf7 n GLY 766 N 0.98 0.92 3.72 0.00 0.00 -0.42 -4.14 105.19 106.27 2qf7 n GLY 766 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2qf7 n GLY 766 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qf7 n VAL 767 N -2.14 3.13 0.09 1.61 3.14 -0.22 -4.92 118.33 119.01 2qf7 n VAL 767 Ca 0.00 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.74 2qf7 n VAL 767 Cb 0.00 -1.62 -0.11 0.00 -1.06 0.00 0.00 33.84 31.05 2qf7 n VAL 767 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2qf7 h ASP 768 N 1.78 0.36 -5.03 6.55 3.32 -1.65 -3.45 116.42 118.30 2qf7 h ASP 768 Ca -0.49 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.09 2qf7 h ASP 768 Cb 1.30 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 2qf7 h ASP 768 CO 0.58 1.25 -0.30 0.00 -1.72 0.00 0.00 179.24 179.06 2qf7 s ALA 769 N -2.78 -0.63 0.04 3.45 0.00 -0.91 -1.90 121.76 119.03 2qf7 s ALA 769 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 2qf7 s ALA 769 Cb 0.08 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2qf7 s ALA 769 CO 0.87 -0.33 -0.03 0.14 0.00 0.00 0.00 175.76 176.40 2qf7 s VAL 770 N -2.01 0.20 0.01 0.00 -7.23 -0.52 -0.74 120.40 110.11 2qf7 s VAL 770 Ca -0.09 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2qf7 s VAL 770 Cb -0.03 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2qf7 s VAL 770 CO -0.00 -0.72 0.13 -1.81 -0.31 0.00 0.00 175.10 172.39 2qf7 s ASP 771 N -2.15 6.00 0.16 4.85 1.11 -0.76 -1.23 116.67 124.64 2qf7 s ASP 771 Ca -0.05 0.22 -0.18 0.00 0.18 0.00 0.00 52.55 52.72 2qf7 s ASP 771 Cb -0.02 -1.79 0.04 0.00 1.07 0.00 0.00 42.92 42.22 2qf7 s ASP 771 CO -0.05 0.25 0.48 0.00 1.18 0.00 0.00 175.17 177.03 2qf7 s ALA 772 N -1.30 -1.07 0.03 5.23 0.00 -0.18 -4.75 121.76 119.71 2qf7 s ALA 772 Ca 0.27 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.27 2qf7 s ALA 772 Cb -0.12 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2qf7 s ALA 772 CO 0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 175.76 175.18 2qf7 s ALA 773 N -3.82 3.14 0.43 0.00 0.00 -0.98 -1.46 121.76 119.08 2qf7 s ALA 773 Ca 0.05 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 2qf7 s ALA 773 Cb 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.84 2qf7 s ALA 773 CO -0.09 0.65 0.89 -1.33 0.00 0.00 0.00 175.76 175.87 2qf7 n MET 774 N 1.20 1.11 -0.23 0.00 2.81 -1.26 -0.52 117.12 120.22 2qf7 n MET 774 Ca -0.14 0.40 0.03 0.00 -1.81 0.00 0.00 57.70 56.18 2qf7 n MET 774 Cb 0.52 -1.90 0.14 0.00 -0.71 0.00 0.00 33.22 31.28 2qf7 n MET 774 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2qf7 h ASP 775 N 1.29 -0.12 0.00 7.83 5.19 -1.92 0.98 116.42 129.66 2qf7 h ASP 775 Ca -0.43 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2qf7 h ASP 775 Cb 1.36 0.23 0.00 0.00 0.18 0.00 0.00 39.33 41.10 2qf7 h ASP 775 CO 0.55 -0.07 0.01 0.00 -3.12 0.00 0.00 179.24 176.61 2qf7 h ALA 776 N 1.59 1.01 -0.44 3.45 0.00 -1.89 -2.50 119.26 120.48 2qf7 h ALA 776 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.97 2qf7 h ALA 776 Cb 0.62 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.04 2qf7 h ALA 776 CO -0.52 -0.01 -0.96 1.28 0.00 0.00 0.00 179.25 179.05 2qf7 n LEU 777 N -2.43 2.70 -4.51 0.00 4.77 0.32 -4.77 117.00 113.08 2qf7 n LEU 777 Ca -0.02 -3.54 -0.24 0.00 -0.03 0.00 0.00 56.01 52.18 2qf7 n LEU 777 Cb 0.05 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2qf7 n LEU 777 CO 0.12 1.35 -0.27 -0.94 -1.33 0.00 0.00 177.39 176.32 2qf7 s SER 778 N -3.46 2.90 0.00 -1.43 1.04 -0.94 -4.61 113.70 107.19 2qf7 s SER 778 Ca 0.37 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2qf7 s SER 778 Cb 0.36 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2qf7 s SER 778 CO -0.03 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2qf7 n GLY 779 N -0.80 -0.15 7.00 7.32 0.00 -0.01 -4.85 105.19 113.69 2qf7 n GLY 779 Ca -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2qf7 n GLY 779 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qf7 n ASN 780 N -1.04 0.00 -0.01 1.61 3.02 -1.24 -1.18 115.26 116.44 2qf7 n ASN 780 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 2qf7 n ASN 780 Cb 0.00 0.00 0.82 0.00 -0.61 0.00 0.00 39.78 39.99 2qf7 n ASN 780 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qf7 n THR 781 N 0.00 0.00 -1.17 3.41 -2.24 -1.26 -0.34 114.28 112.69 2qf7 n THR 781 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qf7 n THR 781 Cb 0.00 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2qf7 n THR 781 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2qf7 n SER 782 N -1.17 0.00 -4.88 3.42 2.88 -0.32 -4.42 113.62 109.13 2qf7 n SER 782 Ca 0.18 -0.60 -0.30 0.00 -1.33 0.00 0.00 58.87 56.82 2qf7 n SER 782 Cb 0.20 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.69 2qf7 n SER 782 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2qf7 s GLN 783 N -1.30 3.00 0.99 -1.46 1.11 -1.26 0.30 119.66 121.03 2qf7 s GLN 783 Ca 0.00 0.48 -0.12 0.00 0.01 0.00 0.00 55.36 55.73 2qf7 s GLN 783 Cb 0.00 -2.05 0.18 0.00 -1.01 0.00 0.00 33.01 30.13 2qf7 s GLN 783 CO 0.00 -0.92 1.09 -1.25 0.01 0.00 0.00 175.29 174.21 2qf7 s PRO 784 N -5.30 0.51 -0.20 2.91 0.04 -1.26 -0.83 135.00 130.87 2qf7 s PRO 784 Ca 0.57 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2qf7 s PRO 784 Cb -0.11 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2qf7 s PRO 784 CO 0.52 -2.72 1.32 0.00 0.04 0.00 0.00 177.00 176.16 2qf7 h LEU 786 N 10.21 0.66 -0.84 0.00 6.46 -1.11 -2.33 115.31 128.36 2qf7 h LEU 786 Ca -0.27 -0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.15 2qf7 h LEU 786 Cb 1.11 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 2qf7 h LEU 786 CO 0.99 0.74 -0.09 1.23 -0.62 0.00 0.00 178.44 180.69 2qf7 h GLY 787 N 0.56 0.84 1.50 3.75 0.00 -1.92 -1.09 103.07 106.70 2qf7 h GLY 787 Ca 0.13 -0.61 -0.22 0.00 0.00 0.00 0.00 47.33 46.63 2qf7 h GLY 787 CO 0.01 0.57 -0.87 1.76 0.00 0.00 0.00 176.54 178.00 2qf7 h SER 788 N 0.71 0.59 -0.34 0.19 0.02 -1.94 0.53 113.55 113.30 2qf7 h SER 788 Ca 0.12 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2qf7 h SER 788 Cb 0.56 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2qf7 h SER 788 CO 0.03 1.22 0.23 0.40 -1.14 0.00 0.00 176.83 177.57 2qf7 h ILE 789 N 0.29 1.08 -0.56 3.27 2.04 -1.19 0.50 117.51 122.94 2qf7 h ILE 789 Ca -0.07 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 2qf7 h ILE 789 Cb 1.49 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2qf7 h ILE 789 CO 0.16 0.08 0.14 0.58 0.00 0.00 0.00 178.15 179.11 2qf7 h VAL 790 N 0.46 1.25 -0.74 1.67 2.07 -1.10 -2.17 116.25 117.69 2qf7 h VAL 790 Ca 0.13 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.81 2qf7 h VAL 790 Cb -0.05 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2qf7 h VAL 790 CO -0.03 0.32 0.46 -0.33 0.02 0.00 0.00 177.57 178.01 2qf7 h GLU 791 N 0.80 0.87 0.00 1.57 4.39 -0.71 -1.10 114.58 120.40 2qf7 h GLU 791 Ca 0.18 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2qf7 h GLU 791 Cb 0.34 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2qf7 h GLU 791 CO 0.00 0.57 -0.11 0.00 -1.16 0.00 0.00 179.01 178.32 2qf7 h ALA 792 N 1.32 1.80 -0.01 3.43 0.00 -0.41 -2.57 119.26 122.82 2qf7 h ALA 792 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qf7 h ALA 792 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qf7 h ALA 792 CO -0.12 0.13 -0.40 1.28 0.00 0.00 0.00 179.25 180.14 2qf7 n LEU 793 N -4.38 1.17 -4.73 0.00 4.77 -0.76 -4.90 117.00 108.17 2qf7 n LEU 793 Ca -0.03 -0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 2qf7 n LEU 793 Cb 0.18 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2qf7 n LEU 793 CO 0.35 0.23 1.23 -0.44 -1.33 0.00 0.00 177.39 177.43 2qf7 s SER 794 N -2.61 6.54 0.00 -1.43 0.01 -0.49 -1.56 113.70 114.17 2qf7 s SER 794 Ca 0.20 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.16 2qf7 s SER 794 Cb 0.18 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2qf7 s SER 794 CO 0.59 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2qf7 n GLY 795 N 3.30 1.42 3.95 3.44 0.00 -1.26 -5.02 105.19 111.02 2qf7 n GLY 795 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2qf7 n GLY 795 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qf7 s SER 796 N -3.19 5.25 0.34 1.61 1.04 -0.60 -4.95 113.70 113.19 2qf7 s SER 796 Ca 0.00 0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.83 2qf7 s SER 796 Cb 0.00 -1.16 0.90 0.00 0.10 0.00 0.00 66.02 65.85 2qf7 s SER 796 CO 0.00 -1.22 1.76 -0.08 0.98 0.00 0.00 173.24 174.68 2qf7 h GLU 797 N -0.14 0.58 -0.62 4.02 4.81 -1.96 -2.15 114.58 119.12 2qf7 h GLU 797 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2qf7 h GLU 797 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2qf7 h GLU 797 CO 0.57 0.38 0.00 0.54 -0.73 0.00 0.00 179.01 179.77 2qf7 n ARG 798 N -4.77 3.61 -1.73 1.92 1.74 -1.26 -4.67 116.66 111.51 2qf7 n ARG 798 Ca 0.25 -2.84 -0.65 0.00 -0.77 0.00 0.00 57.85 53.84 2qf7 n ARG 798 Cb 0.71 -1.84 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 2qf7 n ARG 798 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qf7 n ASP 799 N 1.05 1.46 0.00 0.55 -0.08 -0.81 -2.19 116.55 116.52 2qf7 n ASP 799 Ca 0.25 1.16 0.10 0.00 -1.51 0.00 0.00 54.79 54.79 2qf7 n ASP 799 Cb 0.85 -0.95 0.47 0.00 2.34 0.00 0.00 41.12 43.83 2qf7 n ASP 799 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qf7 n PRO 800 N 4.22 0.14 -2.97 -0.67 -0.04 -1.26 -4.60 135.00 129.82 2qf7 n PRO 800 Ca 0.29 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 2qf7 n PRO 800 Cb -0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2qf7 n PRO 800 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qf7 n GLY 801 N 0.50 0.30 3.36 0.55 0.00 -1.26 -4.94 105.19 103.69 2qf7 n GLY 801 Ca 0.07 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2qf7 n GLY 801 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf7 s LEU 802 N -3.75 2.64 -0.32 0.99 1.43 -1.26 -4.79 118.68 113.62 2qf7 s LEU 802 Ca 0.25 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2qf7 s LEU 802 Cb -0.11 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2qf7 s LEU 802 CO 0.32 0.17 1.68 -0.62 0.23 0.00 0.00 176.35 178.13 2qf7 s ASP 803 N 0.32 6.10 0.30 2.29 -1.08 -1.26 -4.92 116.67 118.42 2qf7 s ASP 803 Ca -0.11 1.30 0.04 0.00 -0.52 0.00 0.00 52.55 53.25 2qf7 s ASP 803 Cb -0.16 -2.53 0.64 0.00 -1.46 0.00 0.00 42.92 39.41 2qf7 s ASP 803 CO 0.06 -1.54 1.84 -0.65 0.52 0.00 0.00 175.17 175.39 2qf7 h PRO 804 N 11.92 0.88 -0.71 4.34 0.11 -1.97 -1.02 132.00 145.55 2qf7 h PRO 804 Ca -0.33 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 2qf7 h PRO 804 Cb 1.15 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 2qf7 h PRO 804 CO 1.03 0.58 0.44 0.00 -0.21 0.00 0.00 178.00 179.84 2qf7 h ALA 805 N 1.57 0.90 -0.36 -0.75 0.00 -1.99 -0.44 119.26 118.18 2qf7 h ALA 805 Ca 0.50 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 2qf7 h ALA 805 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qf7 h ALA 805 CO -0.27 0.36 -0.38 -1.49 0.00 0.00 0.00 179.25 177.47 2qf7 h TRP 806 N 0.96 1.04 -0.28 0.00 4.06 -1.76 -0.93 115.95 119.04 2qf7 h TRP 806 Ca 0.26 -0.31 0.03 0.00 2.06 0.00 0.00 58.89 60.93 2qf7 h TRP 806 Cb -0.06 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.85 2qf7 h TRP 806 CO -0.02 1.11 0.08 0.82 -3.56 0.00 0.00 178.44 176.88 2qf7 h ILE 807 N 0.71 0.91 -0.74 1.49 2.04 -1.01 -0.87 117.51 120.04 2qf7 h ILE 807 Ca 0.06 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2qf7 h ILE 807 Cb 0.96 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2qf7 h ILE 807 CO 0.09 0.04 0.36 0.03 0.00 0.00 0.00 178.15 178.67 2qf7 h ARG 808 N 0.20 1.06 -0.62 2.37 3.08 -0.84 -0.15 114.38 119.48 2qf7 h ARG 808 Ca 0.13 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2qf7 h ARG 808 Cb 0.11 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2qf7 h ARG 808 CO -0.14 0.82 0.32 0.00 -1.07 0.00 0.00 179.97 179.89 2qf7 h ARG 809 N 1.03 0.88 -0.48 0.04 3.08 -0.94 0.13 114.38 118.12 2qf7 h ARG 809 Ca 0.25 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2qf7 h ARG 809 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2qf7 h ARG 809 CO -0.03 0.69 -0.17 0.82 -1.07 0.00 0.00 179.97 180.21 2qf7 h ILE 810 N 0.85 1.27 -0.94 2.04 2.04 -0.96 -2.47 117.51 119.33 2qf7 h ILE 810 Ca 0.22 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.78 2qf7 h ILE 810 Cb 0.09 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2qf7 h ILE 810 CO -0.03 0.46 0.62 -1.28 0.00 0.00 0.00 178.15 177.91 2qf7 h SER 811 N 0.81 1.03 -0.67 1.72 0.87 -0.70 -0.56 113.55 116.06 2qf7 h SER 811 Ca 0.11 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2qf7 h SER 811 Cb 0.74 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2qf7 h SER 811 CO 0.06 0.72 0.32 -0.26 -0.53 0.00 0.00 176.83 177.13 2qf7 h PHE 812 N 1.21 0.99 -0.17 2.24 0.04 -0.61 0.62 116.94 121.26 2qf7 h PHE 812 Ca 0.37 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 2qf7 h PHE 812 Cb -0.03 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 2qf7 h PHE 812 CO -0.01 0.73 0.09 -0.92 -0.60 0.00 0.00 178.31 177.61 2qf7 h TYR 813 N 0.98 0.24 -0.22 -0.55 3.20 -0.89 -2.07 116.97 117.66 2qf7 h TYR 813 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2qf7 h TYR 813 Cb 0.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2qf7 h TYR 813 CO 0.01 0.23 0.00 -1.49 -1.64 0.00 0.00 178.16 175.27 2qf7 h TRP 814 N 0.18 0.32 -0.21 -3.82 -0.00 -0.21 -0.74 115.95 111.46 2qf7 h TRP 814 Ca 0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.91 2qf7 h TRP 814 Cb 0.07 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 2qf7 h TRP 814 CO -0.04 0.34 0.06 1.49 -0.00 0.00 0.00 178.44 180.29 2qf7 h GLU 815 N 0.32 0.33 -0.32 0.49 4.81 -0.76 0.25 114.58 119.71 2qf7 h GLU 815 Ca 0.07 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2qf7 h GLU 815 Cb 0.21 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qf7 h GLU 815 CO 0.00 0.43 -0.25 0.00 -0.73 0.00 0.00 179.01 178.46 2qf7 h ALA 816 N 0.89 0.96 -0.19 2.92 0.00 -0.88 -2.45 119.26 120.52 2qf7 h ALA 816 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qf7 h ALA 816 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qf7 h ALA 816 CO -0.00 0.60 0.10 0.28 0.00 0.00 0.00 179.25 180.23 2qf7 h VAL 817 N 0.55 1.11 -0.58 0.00 2.07 -0.90 -3.14 116.25 115.35 2qf7 h VAL 817 Ca 0.08 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2qf7 h VAL 817 Cb 0.73 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2qf7 h VAL 817 CO 0.06 0.11 0.39 -0.09 0.02 0.00 0.00 177.57 178.05 2qf7 h ARG 818 N 0.19 0.71 -0.34 1.57 2.43 -0.27 -0.95 114.38 117.72 2qf7 h ARG 818 Ca 0.07 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2qf7 h ARG 818 Cb 0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2qf7 h ARG 818 CO -0.01 0.47 0.33 -0.91 -1.51 0.00 0.00 179.97 178.34 2qf7 h ASN 819 N 0.73 0.00 1.26 -3.80 2.35 -1.39 -0.41 115.58 114.32 2qf7 h ASN 819 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2qf7 h ASN 819 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qf7 h ASN 819 CO -0.06 0.00 0.00 1.56 -1.65 0.00 0.00 177.43 177.28 2qf7 h GLN 820 N 0.00 0.00 -0.77 0.81 4.20 -1.28 -3.21 115.11 114.87 2qf7 h GLN 820 Ca 0.16 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.47 2qf7 h GLN 820 Cb 0.82 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.36 2qf7 h GLN 820 CO -0.00 0.00 0.39 0.66 -0.67 0.00 0.00 178.83 179.21 2qf7 n TYR 821 N -2.47 2.38 -0.20 2.96 4.01 -0.16 -4.70 117.16 118.97 2qf7 n TYR 821 Ca 0.04 -1.79 0.17 0.00 -0.16 0.00 0.00 57.90 56.16 2qf7 n TYR 821 Cb 0.37 -0.79 0.51 0.00 -0.31 0.00 0.00 39.34 39.11 2qf7 n TYR 821 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qf7 h ALA 822 N 1.02 2.16 -0.36 -0.72 0.00 -1.67 -0.19 119.26 119.51 2qf7 h ALA 822 Ca 0.49 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.51 2qf7 h ALA 822 Cb 2.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 2qf7 h ALA 822 CO 0.86 -0.40 0.34 0.00 0.00 0.00 0.00 179.25 180.05 2qf7 h ALA 823 N 1.63 2.10 -0.36 0.00 0.00 -1.81 -3.00 119.26 117.82 2qf7 h ALA 823 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2qf7 h ALA 823 Cb 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qf7 h ALA 823 CO -0.14 -0.52 0.00 1.19 0.00 0.00 0.00 179.25 179.78 2qf7 n PHE 824 N -3.92 0.48 -2.57 0.00 3.72 -0.09 -4.56 117.46 110.53 2qf7 n PHE 824 Ca 0.06 -0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 56.67 2qf7 n PHE 824 Cb 0.51 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 2qf7 n PHE 824 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2qf7 s GLU 825 N -1.01 4.05 0.50 -1.08 0.41 -1.14 -4.27 118.70 116.16 2qf7 s GLU 825 Ca 0.26 1.43 0.05 0.00 -0.41 0.00 0.00 54.97 56.30 2qf7 s GLU 825 Cb 0.14 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 30.15 2qf7 s GLU 825 CO 0.18 -0.23 0.69 -1.54 -0.49 0.00 0.00 175.26 173.88 2qf7 s SER 826 N -1.75 5.41 -0.17 -0.19 1.04 -1.26 -5.01 113.70 111.77 2qf7 s SER 826 Ca 0.61 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.84 2qf7 s SER 826 Cb -0.19 -0.70 0.38 0.00 0.10 0.00 0.00 66.02 65.61 2qf7 s SER 826 CO 0.24 -1.00 1.29 -0.67 0.98 0.00 0.00 173.24 174.07 2qf7 n ASP 827 N -2.13 3.39 -4.72 7.02 2.03 -1.26 -4.95 116.55 115.93 2qf7 n ASP 827 Ca 0.09 -2.63 -0.42 0.00 0.52 0.00 0.00 54.79 52.35 2qf7 n ASP 827 Cb 0.59 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 2qf7 n ASP 827 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2qf7 s LEU 828 N -1.51 4.42 -0.18 -2.67 2.96 -1.26 -4.95 118.68 115.48 2qf7 s LEU 828 Ca 0.28 2.02 0.18 0.00 -0.22 0.00 0.00 54.13 56.39 2qf7 s LEU 828 Cb 0.22 -3.59 -0.25 0.00 0.50 0.00 0.00 46.19 43.08 2qf7 s LEU 828 CO 0.07 -0.36 0.10 0.29 -1.32 0.00 0.00 176.35 175.13 2qf7 n LYS 829 N 3.28 0.76 -3.02 1.98 4.01 -1.26 -5.09 118.16 118.82 2qf7 n LYS 829 Ca 0.06 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2qf7 n LYS 829 Cb 0.47 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2qf7 n LYS 829 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qf7 n GLY 830 N 1.74 -0.81 3.57 0.72 0.00 -1.26 -5.12 105.19 104.03 2qf7 n GLY 830 Ca -0.30 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2qf7 n GLY 830 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qf7 n PRO 831 N 0.00 0.32 -3.47 1.61 -0.02 -1.26 -4.92 135.00 127.26 2qf7 n PRO 831 Ca 0.00 0.16 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 2qf7 n PRO 831 Cb 0.00 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 2qf7 n PRO 831 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qf7 s ALA 832 N -1.95 -0.79 -1.33 3.55 0.00 -0.21 -4.95 121.76 116.08 2qf7 s ALA 832 Ca 0.69 0.79 0.20 0.00 0.00 0.00 0.00 51.96 53.65 2qf7 s ALA 832 Cb -0.33 -1.45 1.00 0.00 0.00 0.00 0.00 23.12 22.35 2qf7 s ALA 832 CO 0.54 -1.11 1.65 -1.13 0.00 0.00 0.00 175.76 175.72 2qf7 n SER 833 N 5.35 0.00 0.24 0.00 3.41 -1.26 -2.60 113.62 118.77 2qf7 n SER 833 Ca -0.05 0.11 0.17 0.00 -0.26 0.00 0.00 58.87 58.84 2qf7 n SER 833 Cb 0.50 -0.34 0.89 0.00 -0.26 0.00 0.00 64.21 65.00 2qf7 n SER 833 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qf7 h GLU 834 N 0.00 0.00 -0.58 4.33 4.81 -1.95 -1.76 114.58 119.43 2qf7 h GLU 834 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2qf7 h GLU 834 Cb 0.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2qf7 h GLU 834 CO 0.00 0.00 0.41 -0.24 -0.73 0.00 0.00 179.01 178.45 2qf7 h VAL 835 N 0.00 0.78 0.00 0.32 3.04 -1.87 -0.15 116.25 118.37 2qf7 h VAL 835 Ca 0.06 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 2qf7 h VAL 835 Cb 0.38 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2qf7 h VAL 835 CO -0.00 0.03 -0.30 1.88 -1.01 0.00 0.00 177.57 178.17 2qf7 h TYR 836 N 0.16 0.00 0.18 3.17 0.05 -1.58 0.19 116.97 119.13 2qf7 h TYR 836 Ca 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 2qf7 h TYR 836 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2qf7 h TYR 836 CO -0.00 0.30 -0.09 1.25 -1.05 0.00 0.00 178.16 178.58 2qf7 h LEU 837 N 0.00 -0.20 0.15 3.88 5.85 -1.19 -3.41 115.31 120.39 2qf7 h LEU 837 Ca -0.00 -0.16 -0.30 0.00 0.84 0.00 0.00 57.88 58.25 2qf7 h LEU 837 Cb 0.91 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.00 2qf7 h LEU 837 CO 0.04 0.33 -1.43 1.12 -0.34 0.00 0.00 178.44 178.16 2qf7 h HIS 838 N -1.02 0.58 -2.06 1.25 2.07 -1.31 -3.43 115.15 111.24 2qf7 h HIS 838 Ca -0.02 -0.42 -0.31 0.00 -2.85 0.00 0.00 60.37 56.76 2qf7 h HIS 838 Cb 0.35 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.28 2qf7 h HIS 838 CO 0.04 1.39 -0.39 0.39 -3.07 0.00 0.00 177.93 176.30 2qf7 n GLU 839 N -3.54 -1.22 -2.27 5.12 1.02 0.65 -4.43 120.64 115.96 2qf7 n GLU 839 Ca -0.14 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 2qf7 n GLU 839 Cb 1.05 -5.13 -0.03 0.00 -0.02 0.00 0.00 31.44 27.31 2qf7 n GLU 839 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2qf7 s MET 840 N -4.62 4.41 0.62 3.49 -1.94 -1.26 -4.85 119.30 115.14 2qf7 s MET 840 Ca 0.00 1.99 -0.19 0.00 -1.71 0.00 0.00 55.69 55.77 2qf7 s MET 840 Cb 0.00 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 2qf7 s MET 840 CO 0.00 -0.23 1.32 -2.14 -0.01 0.00 0.00 175.02 173.95 2qf7 s PRO 841 N 0.11 2.72 0.26 2.03 0.02 -1.26 -4.64 135.00 134.24 2qf7 s PRO 841 Ca 0.57 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.68 2qf7 s PRO 841 Cb -0.35 -1.97 0.33 0.00 0.02 0.00 0.00 34.50 32.54 2qf7 s PRO 841 CO 0.36 -1.49 1.88 0.78 -0.33 0.00 0.00 177.00 178.20 2qf7 h GLY 842 N 0.81 1.16 2.00 0.52 0.00 -1.44 0.38 103.07 106.50 2qf7 h GLY 842 Ca -0.51 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.28 2qf7 h GLY 842 CO 0.54 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.21 2qf7 n GLY 843 N -1.12 -0.88 0.10 4.60 0.00 -1.26 -3.01 105.19 103.61 2qf7 n GLY 843 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2qf7 n GLY 843 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf7 n GLN 844 N -1.61 0.93 -0.27 1.61 7.27 0.03 -4.75 117.38 120.59 2qf7 n GLN 844 Ca 0.02 0.05 -0.04 0.00 0.07 0.00 0.00 57.00 57.10 2qf7 n GLN 844 Cb 0.12 -1.44 0.01 0.00 2.41 0.00 0.00 30.24 31.34 2qf7 n GLN 844 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 2qf7 h PHE 845 N 0.00 -1.04 -0.28 3.69 3.57 -1.20 -0.75 116.94 120.92 2qf7 h PHE 845 Ca -0.47 0.09 -0.17 0.00 3.53 0.00 0.00 57.97 60.94 2qf7 h PHE 845 Cb 1.93 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 41.23 2qf7 h PHE 845 CO 0.01 -0.39 -0.51 1.15 -2.23 0.00 0.00 178.31 176.34 2qf7 h THR 846 N -0.11 1.28 -0.77 4.41 2.02 -1.87 -1.49 112.91 116.38 2qf7 h THR 846 Ca 0.27 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 2qf7 h THR 846 Cb 0.57 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2qf7 h THR 846 CO -0.79 0.55 0.48 0.78 0.37 0.00 0.00 175.52 176.91 2qf7 h ASN 847 N 0.63 0.91 -0.07 4.18 2.35 -1.62 -0.24 115.58 121.72 2qf7 h ASN 847 Ca 0.02 -0.05 -0.24 0.00 -0.55 0.00 0.00 56.30 55.49 2qf7 h ASN 847 Cb 1.10 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.25 2qf7 h ASN 847 CO 0.11 0.69 -0.86 0.25 -1.65 0.00 0.00 177.43 175.97 2qf7 h LEU 848 N 1.05 0.91 -0.79 1.61 5.85 -1.04 -0.72 115.31 122.18 2qf7 h LEU 848 Ca 0.28 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2qf7 h LEU 848 Cb -0.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 2qf7 h LEU 848 CO -0.05 1.44 0.33 0.50 -0.34 0.00 0.00 178.44 180.32 2qf7 h LYS 849 N 0.48 1.17 -0.43 1.25 3.64 -1.12 0.69 116.57 122.25 2qf7 h LYS 849 Ca -0.08 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 2qf7 h LYS 849 Cb 1.50 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 2qf7 h LYS 849 CO 0.17 0.94 0.11 0.93 -2.27 0.00 0.00 179.45 179.34 2qf7 h GLU 850 N 1.14 0.69 -0.30 1.90 5.08 -0.91 -1.19 114.58 120.99 2qf7 h GLU 850 Ca 0.27 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2qf7 h GLU 850 Cb 0.19 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2qf7 h GLU 850 CO -0.03 0.69 0.04 0.37 -1.00 0.00 0.00 179.01 179.08 2qf7 h GLN 851 N 0.56 0.13 -0.65 2.33 4.15 -0.98 -1.78 115.11 118.88 2qf7 h GLN 851 Ca 0.14 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.63 2qf7 h GLN 851 Cb 0.30 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 2qf7 h GLN 851 CO -0.00 0.09 0.30 0.00 -1.93 0.00 0.00 178.83 177.29 2qf7 h ALA 852 N 1.23 0.86 -0.57 3.38 0.00 -0.67 -1.01 119.26 122.49 2qf7 h ALA 852 Ca 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qf7 h ALA 852 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2qf7 h ALA 852 CO -0.20 -0.09 0.35 -0.09 0.00 0.00 0.00 179.25 179.21 2qf7 h ARG 853 N 0.53 0.76 0.00 0.00 2.43 -0.90 -0.12 114.38 117.08 2qf7 h ARG 853 Ca 0.31 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2qf7 h ARG 853 Cb 0.33 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2qf7 h ARG 853 CO -0.26 0.54 -0.06 0.77 -1.51 0.00 0.00 179.97 179.45 2qf7 h SER 854 N 0.76 0.00 -0.21 -3.80 0.02 -0.62 -1.17 113.55 108.54 2qf7 h SER 854 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2qf7 h SER 854 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2qf7 h SER 854 CO -0.04 0.06 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 2qf7 n LEU 855 N -3.40 2.02 0.00 5.07 4.77 -0.45 -4.91 117.00 120.09 2qf7 n LEU 855 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2qf7 n LEU 855 Cb 0.21 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2qf7 n LEU 855 CO 0.27 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2qf7 n GLY 856 N 1.20 0.54 0.69 -0.72 0.00 -0.44 -4.96 105.19 101.50 2qf7 n GLY 856 Ca 0.17 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.55 2qf7 n GLY 856 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qf7 n LEU 857 N 0.00 3.05 -0.30 0.99 4.77 -0.15 -4.68 117.00 120.68 2qf7 n LEU 857 Ca 0.00 -2.10 0.18 0.00 -0.03 0.00 0.00 56.01 54.06 2qf7 n LEU 857 Cb 0.00 -0.27 0.44 0.00 -2.33 0.00 0.00 43.42 41.26 2qf7 n LEU 857 CO 0.00 0.73 1.21 -0.33 -1.33 0.00 0.00 177.39 177.68 2qf7 h GLU 858 N 2.07 0.52 -0.00 3.23 4.39 -1.79 0.32 114.58 123.32 2qf7 h GLU 858 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qf7 h GLU 858 Cb 0.81 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2qf7 h GLU 858 CO 0.02 0.34 -0.05 0.25 -1.16 0.00 0.00 179.01 178.41 2qf7 n THR 859 N -4.62 0.00 -1.38 1.13 -2.24 -1.26 -3.09 114.28 102.82 2qf7 n THR 859 Ca 0.22 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2qf7 n THR 859 Cb 0.69 -0.31 0.17 0.00 -2.10 0.00 0.00 70.33 68.77 2qf7 n THR 859 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qf7 n ARG 860 N -1.11 1.38 -0.26 -0.78 1.74 0.11 -4.80 116.66 112.94 2qf7 n ARG 860 Ca 0.15 -2.90 0.05 0.00 -0.77 0.00 0.00 57.85 54.38 2qf7 n ARG 860 Cb 0.25 -1.51 0.18 0.00 -1.02 0.00 0.00 32.46 30.36 2qf7 n ARG 860 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2qf7 h TRP 861 N 0.52 0.54 0.00 -1.55 2.91 -1.39 -0.31 115.95 116.67 2qf7 h TRP 861 Ca -0.01 0.04 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 2qf7 h TRP 861 Cb 1.03 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2qf7 h TRP 861 CO 0.38 0.09 -0.46 0.45 -1.03 0.00 0.00 178.44 177.87 2qf7 h HIS 862 N 0.47 0.00 -0.71 2.65 3.86 -1.88 -0.85 115.15 118.69 2qf7 h HIS 862 Ca 0.41 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.55 2qf7 h HIS 862 Cb 0.59 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 2qf7 h HIS 862 CO -0.15 0.46 0.20 0.37 0.86 0.00 0.00 177.93 179.66 2qf7 h GLN 863 N 0.00 1.12 -0.44 2.45 4.15 -1.48 -2.00 115.11 118.90 2qf7 h GLN 863 Ca -0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 2qf7 h GLN 863 Cb 0.88 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 2qf7 h GLN 863 CO 0.06 0.96 0.20 0.28 -1.93 0.00 0.00 178.83 178.40 2qf7 h VAL 864 N 1.07 1.19 -0.91 2.39 2.07 -0.35 -0.03 116.25 121.68 2qf7 h VAL 864 Ca 0.23 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2qf7 h VAL 864 Cb 0.33 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2qf7 h VAL 864 CO -0.00 0.21 0.60 0.00 0.02 0.00 0.00 177.57 178.40 2qf7 h ALA 865 N 1.04 1.35 -0.36 1.67 0.00 -1.04 0.98 119.26 122.90 2qf7 h ALA 865 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2qf7 h ALA 865 Cb 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qf7 h ALA 865 CO -0.02 0.61 -0.25 0.37 0.00 0.00 0.00 179.25 179.96 2qf7 h GLN 866 N 1.24 0.81 -0.57 0.00 5.75 -1.17 -2.31 115.11 118.85 2qf7 h GLN 866 Ca 0.33 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2qf7 h GLN 866 Cb -0.14 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 2qf7 h GLN 866 CO -0.07 1.02 0.33 0.00 -2.65 0.00 0.00 178.83 177.46 2qf7 h ALA 867 N 0.77 1.52 0.01 3.38 0.00 -0.50 0.00 119.26 124.45 2qf7 h ALA 867 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qf7 h ALA 867 Cb 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qf7 h ALA 867 CO 0.07 0.41 -0.00 -0.92 0.00 0.00 0.00 179.25 178.81 2qf7 h TYR 868 N 0.78 -0.01 -0.35 0.00 3.20 -0.65 0.26 116.97 120.19 2qf7 h TYR 868 Ca 0.20 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2qf7 h TYR 868 Cb -0.02 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 2qf7 h TYR 868 CO 0.00 0.04 0.08 0.00 -1.64 0.00 0.00 178.16 176.65 2qf7 h ALA 869 N 0.93 0.38 -0.55 1.82 0.00 -0.99 -0.13 119.26 120.73 2qf7 h ALA 869 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qf7 h ALA 869 Cb 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qf7 h ALA 869 CO 0.00 -0.32 0.20 -0.44 0.00 0.00 0.00 179.25 178.70 2qf7 h ASP 870 N 0.21 0.77 -0.70 0.00 3.32 -0.83 -2.66 116.42 116.53 2qf7 h ASP 870 Ca 0.17 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2qf7 h ASP 870 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2qf7 h ASP 870 CO -0.21 0.75 0.37 0.00 -1.72 0.00 0.00 179.24 178.43 2qf7 h ALA 871 N 1.06 0.90 -0.56 3.45 0.00 -0.31 -1.12 119.26 122.67 2qf7 h ALA 871 Ca 0.18 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2qf7 h ALA 871 Cb 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2qf7 h ALA 871 CO -0.01 0.42 0.10 -0.97 0.00 0.00 0.00 179.25 178.79 2qf7 h ASN 872 N 0.96 -0.03 -0.38 0.00 -1.24 -0.82 -1.40 115.58 112.68 2qf7 h ASN 872 Ca 0.24 0.11 -0.11 0.00 0.71 0.00 0.00 56.30 57.25 2qf7 h ASN 872 Cb 0.06 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2qf7 h ASN 872 CO -0.04 0.00 -0.17 1.56 -1.29 0.00 0.00 177.43 177.49 2qf7 h GLN 873 N 0.23 0.85 -0.94 6.67 1.08 -1.17 0.63 115.11 122.47 2qf7 h GLN 873 Ca 0.29 -0.33 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2qf7 h GLN 873 Cb 0.42 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 2qf7 h GLN 873 CO -0.38 0.96 0.60 1.98 -0.95 0.00 0.00 178.83 181.04 2qf7 h MET 874 N 0.75 1.05 0.00 1.46 4.05 -0.61 -0.49 114.93 121.14 2qf7 h MET 874 Ca 0.11 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2qf7 h MET 874 Cb 0.70 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2qf7 h MET 874 CO 0.05 0.70 0.00 1.19 0.23 0.00 0.00 176.91 179.08 2qf7 n PHE 875 N -4.56 0.00 0.00 1.39 3.72 -0.58 -4.80 117.46 112.63 2qf7 n PHE 875 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2qf7 n PHE 875 Cb 0.19 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2qf7 n PHE 875 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qf7 n GLY 876 N 0.37 0.94 1.86 1.37 0.00 -0.19 -4.49 105.19 105.04 2qf7 n GLY 876 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qf7 n GLY 876 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qf7 n ASP 877 N 0.00 -3.68 -4.56 1.61 2.03 0.19 -4.97 116.55 107.18 2qf7 n ASP 877 Ca 0.00 0.43 -0.26 0.00 0.52 0.00 0.00 54.79 55.47 2qf7 n ASP 877 Cb 0.00 -2.29 -0.11 0.00 -0.72 0.00 0.00 41.12 38.00 2qf7 n ASP 877 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2qf7 s ILE 878 N -0.47 2.14 0.08 5.18 -4.36 -1.26 -5.03 121.20 117.48 2qf7 s ILE 878 Ca -0.00 -2.14 -0.31 0.00 -0.26 0.00 0.00 60.65 57.94 2qf7 s ILE 878 Cb 0.00 -2.75 -0.06 0.00 1.25 0.00 0.00 42.46 40.89 2qf7 s ILE 878 CO 0.23 -0.14 1.24 -0.69 0.24 0.00 0.00 174.94 175.83 2qf7 s VAL 879 N -2.66 3.85 -0.32 8.37 1.01 -1.26 -5.00 120.40 124.38 2qf7 s VAL 879 Ca 0.33 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2qf7 s VAL 879 Cb 0.05 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2qf7 s VAL 879 CO 0.17 0.11 0.02 -0.54 0.00 0.00 0.00 175.10 174.85 2qf7 s LYS 880 N 1.00 1.77 0.13 2.72 1.02 -1.26 -4.66 119.74 120.45 2qf7 s LYS 880 Ca 0.60 -1.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.70 2qf7 s LYS 880 Cb -0.31 -3.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2qf7 s LYS 880 CO 0.30 -0.83 0.46 0.54 -0.92 0.00 0.00 175.35 174.89 2qf7 s VAL 881 N 0.99 0.05 0.19 3.17 0.11 -1.26 -4.49 120.40 119.15 2qf7 s VAL 881 Ca 0.05 -0.41 -0.33 0.00 -2.93 0.00 0.00 61.98 58.36 2qf7 s VAL 881 Cb -0.20 -1.11 -0.14 0.00 -1.53 0.00 0.00 36.38 33.41 2qf7 s VAL 881 CO -0.07 -0.23 1.48 1.07 -3.33 0.00 0.00 175.10 174.03 2qf7 n THR 882 N -0.21 0.40 1.09 5.04 5.66 -1.26 -0.76 114.28 124.23 2qf7 n THR 882 Ca -0.16 -0.10 0.12 0.00 -3.05 0.00 0.00 64.05 60.86 2qf7 n THR 882 Cb 0.64 -1.44 0.31 0.00 -1.55 0.00 0.00 70.33 68.28 2qf7 n THR 882 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2qf7 n PRO 883 N 2.76 0.29 0.16 1.09 -0.04 -1.26 -4.59 135.00 133.42 2qf7 n PRO 883 Ca 0.15 -0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2qf7 n PRO 883 Cb 0.29 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.85 2qf7 n PRO 883 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qf7 h SER 884 N 0.41 0.11 -0.42 3.54 4.64 -1.26 -1.90 113.55 118.68 2qf7 h SER 884 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2qf7 h SER 884 Cb 0.50 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2qf7 h SER 884 CO 0.00 0.08 -0.08 0.77 -0.87 0.00 0.00 176.83 176.73 2qf7 h SER 885 N 0.13 0.84 -0.74 4.97 4.64 -1.67 -2.36 113.55 119.36 2qf7 h SER 885 Ca 0.07 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2qf7 h SER 885 Cb 0.13 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.96 2qf7 h SER 885 CO -0.01 0.95 0.44 0.50 -0.87 0.00 0.00 176.83 177.84 2qf7 h LYS 886 N 0.78 1.03 -0.35 4.77 3.64 -1.63 -1.07 116.57 123.74 2qf7 h LYS 886 Ca 0.13 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2qf7 h LYS 886 Cb 0.58 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2qf7 h LYS 886 CO 0.04 0.73 0.17 0.28 -2.27 0.00 0.00 179.45 178.40 2qf7 h VAL 887 N 1.04 1.16 -0.32 2.00 2.07 -1.32 0.97 116.25 121.86 2qf7 h VAL 887 Ca 0.27 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2qf7 h VAL 887 Cb -0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2qf7 h VAL 887 CO -0.05 0.17 -0.16 0.58 0.02 0.00 0.00 177.57 178.13 2qf7 h VAL 888 N 0.43 1.25 -0.10 2.57 2.07 -1.22 -1.45 116.25 119.79 2qf7 h VAL 888 Ca 0.12 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2qf7 h VAL 888 Cb 0.12 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2qf7 h VAL 888 CO -0.02 0.37 0.06 1.23 0.02 0.00 0.00 177.57 179.24 2qf7 h GLY 889 N 0.97 0.15 0.90 2.17 0.00 -0.68 -1.04 103.07 105.54 2qf7 h GLY 889 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2qf7 h GLY 889 CO 0.04 0.06 0.48 -0.55 0.00 0.00 0.00 176.54 176.57 2qf7 h ASP 890 N 0.10 0.80 -0.25 0.19 3.32 -0.59 -0.97 116.42 119.01 2qf7 h ASP 890 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2qf7 h ASP 890 Cb 0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qf7 h ASP 890 CO -0.01 0.56 0.07 -0.03 -1.72 0.00 0.00 179.24 178.11 2qf7 h MET 891 N 0.95 0.40 -0.33 3.56 4.05 -1.02 -2.12 114.93 120.43 2qf7 h MET 891 Ca 0.30 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2qf7 h MET 891 Cb -0.01 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2qf7 h MET 891 CO -0.10 0.49 0.17 0.00 0.23 0.00 0.00 176.91 177.71 2qf7 h ALA 892 N 0.89 0.40 -0.85 0.39 0.00 -0.92 -0.50 119.26 118.67 2qf7 h ALA 892 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2qf7 h ALA 892 Cb 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2qf7 h ALA 892 CO -0.00 -0.19 0.53 -0.07 0.00 0.00 0.00 179.25 179.52 2qf7 h LEU 893 N 0.36 0.86 -0.53 0.00 3.38 -1.14 -1.78 115.31 116.47 2qf7 h LEU 893 Ca 0.13 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2qf7 h LEU 893 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qf7 h LEU 893 CO -0.08 0.57 -0.19 -0.03 0.09 0.00 0.00 178.44 178.80 2qf7 h MET 894 N 1.01 0.99 -0.74 1.13 4.05 -1.09 -0.54 114.93 119.75 2qf7 h MET 894 Ca 0.36 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2qf7 h MET 894 Cb 0.09 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 2qf7 h MET 894 CO -0.15 1.08 0.44 0.52 0.23 0.00 0.00 176.91 179.04 2qf7 h MET 895 N 0.86 1.00 0.12 0.39 2.86 -0.81 -0.78 114.93 118.58 2qf7 h MET 895 Ca 0.12 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2qf7 h MET 895 Cb 0.77 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2qf7 h MET 895 CO 0.06 0.71 -0.06 0.28 1.06 0.00 0.00 176.91 178.96 2qf7 h VAL 896 N 1.01 1.06 -0.87 -2.22 2.07 -1.21 -0.19 116.25 115.89 2qf7 h VAL 896 Ca 0.26 -1.06 0.21 0.00 0.82 0.00 0.00 66.70 66.93 2qf7 h VAL 896 Cb -0.03 1.69 -0.15 0.00 -1.52 0.00 0.00 31.29 31.27 2qf7 h VAL 896 CO -0.05 0.24 0.01 0.28 0.02 0.00 0.00 177.57 178.07 2qf7 h SER 897 N -0.70 -0.41 -0.34 0.57 0.02 -1.08 -2.66 113.55 108.96 2qf7 h SER 897 Ca -0.02 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2qf7 h SER 897 Cb 0.52 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2qf7 h SER 897 CO 0.03 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.47 2qf7 n GLN 898 N -5.41 2.26 -3.56 3.45 6.02 -0.30 -4.98 117.38 114.87 2qf7 n GLN 898 Ca 0.18 -2.07 -0.26 0.00 -0.01 0.00 0.00 57.00 54.84 2qf7 n GLN 898 Cb 0.59 -1.41 0.05 0.00 1.02 0.00 0.00 30.24 30.49 2qf7 n GLN 898 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2qf7 n ASP 899 N 1.12 -5.32 -4.36 1.08 2.03 -0.58 -5.00 116.55 105.53 2qf7 n ASP 899 Ca 0.16 -0.91 -0.34 0.00 0.52 0.00 0.00 54.79 54.21 2qf7 n ASP 899 Cb 0.51 -3.96 -0.14 0.00 -0.72 0.00 0.00 41.12 36.81 2qf7 n ASP 899 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf7 s LEU 900 N -6.18 2.95 0.75 -2.67 1.43 -0.19 -5.04 118.68 109.72 2qf7 s LEU 900 Ca 0.43 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2qf7 s LEU 900 Cb -0.12 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.41 2qf7 s LEU 900 CO 0.82 0.05 1.10 0.42 0.23 0.00 0.00 176.35 178.98 2qf7 s THR 901 N 1.03 3.22 0.27 5.49 -4.23 -1.26 -4.73 115.64 115.43 2qf7 s THR 901 Ca 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2qf7 s THR 901 Cb -0.15 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.65 2qf7 s THR 901 CO -0.00 -0.52 1.77 0.58 -0.54 0.00 0.00 174.62 175.91 2qf7 h VAL 902 N -0.85 0.73 -0.63 2.29 2.07 -1.99 0.12 116.25 117.99 2qf7 h VAL 902 Ca -0.46 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2qf7 h VAL 902 Cb 1.26 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2qf7 h VAL 902 CO 0.62 0.12 0.41 0.00 0.02 0.00 0.00 177.57 178.74 2qf7 h ALA 903 N 1.57 0.81 -0.08 1.67 0.00 -1.99 -0.92 119.26 120.32 2qf7 h ALA 903 Ca 0.48 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.37 2qf7 h ALA 903 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qf7 h ALA 903 CO -0.36 0.20 0.00 -0.44 0.00 0.00 0.00 179.25 178.65 2qf7 h ASP 904 N 0.83 -0.03 -0.68 0.00 3.32 -1.70 -1.09 116.42 117.07 2qf7 h ASP 904 Ca 0.24 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.39 2qf7 h ASP 904 Cb -0.06 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 2qf7 h ASP 904 CO -0.07 -0.00 0.33 0.58 -1.72 0.00 0.00 179.24 178.36 2qf7 h VAL 905 N 0.03 0.86 0.00 -1.35 2.07 -0.30 -3.10 116.25 114.46 2qf7 h VAL 905 Ca 0.04 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2qf7 h VAL 905 Cb 0.04 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2qf7 h VAL 905 CO -0.06 0.11 -0.85 1.33 0.02 0.00 0.00 177.57 178.12 2qf7 n VAL 906 N -4.88 0.39 -1.81 2.57 0.24 -0.40 -4.95 118.33 109.49 2qf7 n VAL 906 Ca 0.10 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.34 61.64 2qf7 n VAL 906 Cb 0.25 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2qf7 n VAL 906 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2qf7 s SER 907 N -4.49 6.26 0.25 -1.34 1.04 -0.42 -4.78 113.70 110.22 2qf7 s SER 907 Ca 0.03 3.02 0.21 0.00 0.48 0.00 0.00 55.95 59.69 2qf7 s SER 907 Cb 0.12 -2.67 0.98 0.00 0.10 0.00 0.00 66.02 64.56 2qf7 s SER 907 CO 0.76 -0.93 1.64 -0.81 0.98 0.00 0.00 173.24 174.89 2qf7 n PRO 908 N 0.33 0.15 -0.20 4.02 -0.04 -1.26 -3.45 135.00 134.56 2qf7 n PRO 908 Ca 0.02 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.05 2qf7 n PRO 908 Cb 0.40 -1.87 0.16 0.00 -0.04 0.00 0.00 33.50 32.15 2qf7 n PRO 908 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qf7 n ASP 909 N -2.17 2.91 -4.03 3.54 5.68 -1.26 -4.90 116.55 116.32 2qf7 n ASP 909 Ca 0.01 -2.71 -0.31 0.00 -0.50 0.00 0.00 54.79 51.27 2qf7 n ASP 909 Cb 0.14 -0.37 -0.16 0.00 -1.14 0.00 0.00 41.12 39.59 2qf7 n ASP 909 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2qf7 s ARG 910 N -2.25 2.33 0.22 0.11 6.06 -1.22 -5.11 118.95 119.08 2qf7 s ARG 910 Ca 0.29 -0.78 -0.30 0.00 -2.50 0.00 0.00 55.73 52.44 2qf7 s ARG 910 Cb 0.23 -2.37 -0.09 0.00 0.06 0.00 0.00 34.95 32.78 2qf7 s ARG 910 CO 0.07 -0.33 1.26 -1.21 -2.50 0.00 0.00 175.30 172.59 2qf7 s GLU 911 N 1.38 4.44 -0.01 5.12 8.01 -1.26 -4.82 118.70 131.55 2qf7 s GLU 911 Ca 0.02 2.01 0.00 0.00 0.01 0.00 0.00 54.97 57.00 2qf7 s GLU 911 Cb -0.15 -3.19 0.02 0.00 -4.31 0.00 0.00 34.13 26.50 2qf7 s GLU 911 CO -0.10 -0.15 0.01 0.08 0.01 0.00 0.00 175.26 175.11 2qf7 s VAL 912 N -0.25 0.01 -0.60 2.63 1.01 -1.26 -5.09 120.40 116.85 2qf7 s VAL 912 Ca 0.53 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 2qf7 s VAL 912 Cb -0.35 -0.09 0.12 0.00 0.00 0.00 0.00 36.38 36.05 2qf7 s VAL 912 CO 0.40 0.07 0.66 -0.94 0.00 0.00 0.00 175.10 175.28 2qf7 s SER 913 N 0.63 6.23 0.53 3.32 1.04 -1.26 -4.99 113.70 119.21 2qf7 s SER 913 Ca -0.05 -1.64 -0.20 0.00 0.48 0.00 0.00 55.95 54.53 2qf7 s SER 913 Cb -0.08 -2.27 -0.06 0.00 0.10 0.00 0.00 66.02 63.71 2qf7 s SER 913 CO -0.02 -1.00 1.18 -0.36 0.98 0.00 0.00 173.24 174.02 2qf7 s PHE 914 N 2.19 2.62 0.55 5.02 0.08 -1.26 -4.97 117.98 122.21 2qf7 s PHE 914 Ca 0.10 1.52 -0.21 0.00 0.12 0.00 0.00 56.93 58.45 2qf7 s PHE 914 Cb -0.25 -3.41 -0.05 0.00 -0.57 0.00 0.00 43.02 38.74 2qf7 s PHE 914 CO 0.04 -1.85 1.31 -2.30 -0.10 0.00 0.00 175.22 172.32 2qf7 n PRO 915 N -1.12 1.57 0.26 0.24 -0.02 -1.26 -4.81 135.00 129.85 2qf7 n PRO 915 Ca 0.11 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 2qf7 n PRO 915 Cb 0.49 -2.52 0.73 0.00 -0.02 0.00 0.00 33.50 32.18 2qf7 n PRO 915 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qf7 h GLU 916 N 1.29 0.00 -0.32 -0.52 4.11 -1.99 -0.98 114.58 116.17 2qf7 h GLU 916 Ca -0.50 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.84 2qf7 h GLU 916 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2qf7 h GLU 916 CO 0.56 0.12 -0.16 0.66 0.07 0.00 0.00 179.01 180.26 2qf7 h SER 917 N 0.00 0.56 -0.12 3.06 4.64 -1.96 -0.90 113.55 118.82 2qf7 h SER 917 Ca -0.00 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 2qf7 h SER 917 Cb 0.36 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2qf7 h SER 917 CO 0.02 0.74 -0.16 0.58 -0.87 0.00 0.00 176.83 177.14 2qf7 h VAL 918 N 0.51 1.36 -0.30 0.95 2.07 -1.51 -1.75 116.25 117.58 2qf7 h VAL 918 Ca 0.09 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2qf7 h VAL 918 Cb 0.57 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2qf7 h VAL 918 CO 0.04 0.39 0.11 0.58 0.02 0.00 0.00 177.57 178.71 2qf7 h VAL 919 N -0.08 0.92 -0.60 2.57 2.07 -1.25 -0.95 116.25 118.94 2qf7 h VAL 919 Ca 0.02 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2qf7 h VAL 919 Cb 0.70 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2qf7 h VAL 919 CO 0.04 0.04 0.15 -1.28 0.02 0.00 0.00 177.57 176.54 2qf7 h SER 920 N 0.24 0.91 -0.17 0.57 0.87 -1.18 0.22 113.55 115.01 2qf7 h SER 920 Ca 0.13 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2qf7 h SER 920 Cb 0.10 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2qf7 h SER 920 CO -0.13 0.91 0.09 -0.03 -0.53 0.00 0.00 176.83 177.14 2qf7 h MET 921 N 0.88 0.23 0.00 2.24 4.05 -1.10 -1.71 114.93 119.52 2qf7 h MET 921 Ca 0.19 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 2qf7 h MET 921 Cb 0.35 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2qf7 h MET 921 CO 0.00 0.23 -0.37 -0.07 0.23 0.00 0.00 176.91 176.93 2qf7 h LEU 922 N 0.17 0.00 -0.94 3.39 3.38 -0.97 -2.43 115.31 117.92 2qf7 h LEU 922 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2qf7 h LEU 922 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2qf7 h LEU 922 CO -0.01 0.37 0.39 0.50 0.09 0.00 0.00 178.44 179.79 2qf7 h LYS 923 N 0.00 1.16 0.00 1.13 3.64 -0.78 -3.45 116.57 118.26 2qf7 h LYS 923 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2qf7 h LYS 923 Cb 0.72 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2qf7 h LYS 923 CO 0.05 0.88 0.00 0.41 -2.27 0.00 0.00 179.45 178.52 2qf7 n GLY 924 N -1.05 -0.08 0.28 5.01 0.00 -0.91 -0.55 105.19 107.88 2qf7 n GLY 924 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2qf7 n GLY 924 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qf7 h ASP 925 N 0.00 0.00 -0.02 1.61 3.32 -1.49 -1.50 116.42 118.34 2qf7 h ASP 925 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qf7 h ASP 925 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qf7 h ASP 925 CO 0.00 0.00 -0.15 0.18 -1.72 0.00 0.00 179.24 177.55 2qf7 n LEU 926 N -2.96 2.54 0.00 1.55 4.32 -1.26 -4.85 117.00 116.34 2qf7 n LEU 926 Ca -0.01 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 2qf7 n LEU 926 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2qf7 n LEU 926 CO 0.23 0.44 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 2qf7 n GLY 927 N 1.29 -1.73 3.12 -0.72 0.00 -0.56 -4.76 105.19 101.82 2qf7 n GLY 927 Ca 0.11 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2qf7 n GLY 927 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qf7 s GLN 928 N 0.00 2.50 0.62 1.61 -1.52 -1.26 -4.76 119.66 116.85 2qf7 s GLN 928 Ca 0.00 -0.68 -0.12 0.00 -1.95 0.00 0.00 55.36 52.61 2qf7 s GLN 928 Cb 0.00 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.76 2qf7 s GLN 928 CO 0.00 0.05 1.03 -1.25 -0.25 0.00 0.00 175.29 174.87 2qf7 s PRO 929 N 0.67 3.43 0.62 2.91 0.04 -1.26 -4.73 135.00 136.68 2qf7 s PRO 929 Ca -0.13 0.89 0.38 0.00 0.04 0.00 0.00 61.00 62.18 2qf7 s PRO 929 Cb -0.16 -2.06 2.07 0.00 0.04 0.00 0.00 34.50 34.39 2qf7 s PRO 929 CO 0.03 -0.70 2.27 -1.35 0.04 0.00 0.00 177.00 177.29 2qf7 h PRO 930 N -0.18 0.00 -0.00 0.56 0.11 -1.96 0.10 132.00 130.64 2qf7 h PRO 930 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qf7 h PRO 930 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qf7 h PRO 930 CO 0.60 0.01 -0.61 0.45 -0.21 0.00 0.00 178.00 178.25 2qf7 n SER 931 N -3.31 0.74 -0.39 -2.05 2.88 -1.26 -5.08 113.62 105.15 2qf7 n SER 931 Ca -0.02 -0.56 0.05 0.00 -1.33 0.00 0.00 58.87 57.01 2qf7 n SER 931 Cb 0.12 0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2qf7 n SER 931 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qf7 n GLY 932 N 1.48 -1.89 3.80 0.46 0.00 0.36 -4.92 105.19 104.49 2qf7 n GLY 932 Ca 0.06 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 2qf7 n GLY 932 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qf7 s TRP 933 N -1.98 3.75 0.12 1.61 0.52 -1.26 -4.72 118.94 116.97 2qf7 s TRP 933 Ca 0.00 1.43 -0.34 0.00 0.02 0.00 0.00 56.10 57.22 2qf7 s TRP 933 Cb 0.00 -2.64 -0.13 0.00 -1.15 0.00 0.00 33.47 29.55 2qf7 s TRP 933 CO 0.00 0.43 1.67 -2.30 0.02 0.00 0.00 176.95 176.77 2qf7 n PRO 934 N 1.15 2.25 -0.06 4.98 -0.02 -1.26 -4.90 135.00 137.13 2qf7 n PRO 934 Ca -0.05 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2qf7 n PRO 934 Cb 0.50 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 2qf7 n PRO 934 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qf7 h GLU 935 N 6.81 0.33 -0.33 -0.52 5.08 -1.98 -1.62 114.58 122.35 2qf7 h GLU 935 Ca -0.46 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 2qf7 h GLU 935 Cb 1.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2qf7 h GLU 935 CO 0.91 0.53 0.08 0.00 -1.00 0.00 0.00 179.01 179.53 2qf7 h ALA 936 N 0.79 0.44 -0.21 3.43 0.00 -1.97 -0.00 119.26 121.74 2qf7 h ALA 936 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qf7 h ALA 936 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qf7 h ALA 936 CO 0.01 0.10 0.06 1.25 0.00 0.00 0.00 179.25 180.67 2qf7 h LEU 937 N 0.38 0.07 -0.51 0.00 5.85 -1.86 -1.63 115.31 117.60 2qf7 h LEU 937 Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2qf7 h LEU 937 Cb 0.29 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2qf7 h LEU 937 CO 0.00 0.07 0.27 -0.61 -0.34 0.00 0.00 178.44 177.83 2qf7 h GLN 938 N 0.16 0.72 -0.26 1.25 4.15 -1.02 -0.95 115.11 119.16 2qf7 h GLN 938 Ca 0.09 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.44 2qf7 h GLN 938 Cb 0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2qf7 h GLN 938 CO -0.10 0.57 0.13 -0.22 -1.93 0.00 0.00 178.83 177.28 2qf7 h LYS 939 N 0.68 0.26 -0.04 1.69 3.64 -0.95 -0.88 116.57 120.98 2qf7 h LYS 939 Ca 0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2qf7 h LYS 939 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2qf7 h LYS 939 CO -0.03 0.18 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.09 2qf7 h LYS 940 N 0.27 -0.02 -0.34 1.90 3.64 -1.01 -3.13 116.57 117.88 2qf7 h LYS 940 Ca 0.11 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2qf7 h LYS 940 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2qf7 h LYS 940 CO -0.07 -0.01 -0.13 0.00 -2.27 0.00 0.00 179.45 176.96 2qf7 h ALA 941 N 1.03 1.13 0.00 5.00 0.00 -0.99 -3.14 119.26 122.29 2qf7 h ALA 941 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qf7 h ALA 941 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qf7 h ALA 941 CO -0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2qf7 n LEU 942 N -4.18 0.82 -4.14 0.00 4.77 -0.35 -4.88 117.00 109.04 2qf7 n LEU 942 Ca 0.01 0.59 -0.30 0.00 -0.03 0.00 0.00 56.01 56.27 2qf7 n LEU 942 Cb 0.35 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 2qf7 n LEU 942 CO 0.42 -0.22 -0.25 0.29 -1.33 0.00 0.00 177.39 176.30 2qf7 n LYS 943 N -2.28 -2.51 0.00 3.23 5.02 -1.19 -1.15 118.16 119.29 2qf7 n LYS 943 Ca 0.05 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2qf7 n LYS 943 Cb 0.42 -4.41 0.00 0.00 -0.02 0.00 0.00 35.03 31.01 2qf7 n LYS 943 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qf7 n GLY 944 N -1.96 2.02 3.75 0.72 0.00 -1.26 -5.05 105.19 103.39 2qf7 n GLY 944 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 2qf7 n GLY 944 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qf7 s GLU 945 N -0.84 4.55 0.12 1.61 2.12 -0.30 -5.00 118.70 120.95 2qf7 s GLU 945 Ca 0.00 1.84 -0.30 0.00 0.36 0.00 0.00 54.97 56.87 2qf7 s GLU 945 Cb 0.00 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 2qf7 s GLU 945 CO 0.00 0.03 1.01 -1.59 -0.54 0.00 0.00 175.26 174.17 2qf7 s LYS 946 N -0.71 4.65 0.64 4.30 0.00 -1.26 -4.83 119.74 122.53 2qf7 s LYS 946 Ca 0.49 1.54 -0.09 0.00 0.00 0.00 0.00 55.97 57.91 2qf7 s LYS 946 Cb -0.32 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.16 2qf7 s LYS 946 CO 0.38 0.13 1.01 -1.25 0.00 0.00 0.00 175.35 175.63 2qf7 s PRO 947 N 0.03 3.03 0.14 1.78 0.04 -1.26 -5.00 135.00 133.76 2qf7 s PRO 947 Ca 0.49 0.35 0.08 0.00 0.04 0.00 0.00 61.00 61.95 2qf7 s PRO 947 Cb -0.25 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2qf7 s PRO 947 CO 0.31 -0.82 -0.19 1.52 0.04 0.00 0.00 177.00 177.87 2qf7 s TYR 948 N -3.18 1.77 -0.44 0.56 -0.85 0.28 -5.04 117.35 110.45 2qf7 s TYR 948 Ca 0.56 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2qf7 s TYR 948 Cb -0.11 -0.91 0.04 0.00 0.38 0.00 0.00 41.96 41.36 2qf7 s TYR 948 CO 0.50 0.27 0.70 0.25 -1.52 0.00 0.00 175.55 175.75 2qf7 n THR 949 N 0.57 0.17 -1.93 -3.49 -2.24 -1.26 -4.33 114.28 101.76 2qf7 n THR 949 Ca -0.15 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 2qf7 n THR 949 Cb 0.56 0.98 0.07 0.00 -2.10 0.00 0.00 70.33 69.84 2qf7 n THR 949 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2qf7 s VAL 950 N -0.43 2.49 0.11 2.28 -7.23 -1.26 -4.85 120.40 111.51 2qf7 s VAL 950 Ca 0.05 0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 60.03 2qf7 s VAL 950 Cb 0.03 -3.15 -0.10 0.00 0.56 0.00 0.00 36.38 33.72 2qf7 s VAL 950 CO 0.05 -0.19 1.87 -0.60 -0.31 0.00 0.00 175.10 175.92 2qf7 s ARG 951 N -5.47 4.13 0.31 4.82 3.52 -1.26 -4.87 118.95 120.13 2qf7 s ARG 951 Ca 0.61 2.62 0.05 0.00 -0.13 0.00 0.00 55.73 58.88 2qf7 s ARG 951 Cb -0.11 -3.70 0.70 0.00 -1.56 0.00 0.00 34.95 30.27 2qf7 s ARG 951 CO 0.49 -0.87 1.84 -1.35 -0.81 0.00 0.00 175.30 174.59 2qf7 h PRO 952 N 9.00 0.81 0.00 5.12 0.11 -1.89 -1.70 132.00 143.46 2qf7 h PRO 952 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qf7 h PRO 952 Cb 1.22 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qf7 h PRO 952 CO 0.95 0.53 -0.02 0.78 -0.21 0.00 0.00 178.00 180.03 2qf7 h GLY 953 N 0.83 0.00 2.00 -0.55 0.00 -1.90 -2.38 103.07 101.08 2qf7 h GLY 953 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2qf7 h GLY 953 CO -0.27 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.13 2qf7 n SER 954 N -3.14 0.60 -0.22 0.19 3.41 -0.64 -2.52 113.62 111.31 2qf7 n SER 954 Ca -0.00 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 2qf7 n SER 954 Cb 0.27 -0.78 0.07 0.00 -0.26 0.00 0.00 64.21 63.51 2qf7 n SER 954 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf7 n LEU 955 N -2.18 1.29 -4.85 1.04 4.77 -0.90 -4.91 117.00 111.27 2qf7 n LEU 955 Ca 0.02 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.20 2qf7 n LEU 955 Cb 0.21 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2qf7 n LEU 955 CO 0.18 0.27 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.55 2qf7 s LEU 956 N -2.73 4.15 0.00 2.23 1.02 -1.05 -5.08 118.68 117.22 2qf7 s LEU 956 Ca 0.15 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.55 2qf7 s LEU 956 Cb 0.18 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.92 2qf7 s LEU 956 CO 0.68 0.26 0.00 0.29 0.02 0.00 0.00 176.35 177.60 2qf7 n LYS 957 N 1.01 0.00 -5.21 1.70 4.76 -1.26 -4.81 118.16 114.36 2qf7 n LYS 957 Ca -0.12 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 2qf7 n LYS 957 Cb 0.53 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.56 2qf7 n LYS 957 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2qf7 s GLU 958 N 0.29 2.07 0.49 1.97 2.12 -1.26 -4.49 118.70 119.89 2qf7 s GLU 958 Ca 0.00 -0.86 -0.21 0.00 0.36 0.00 0.00 54.97 54.26 2qf7 s GLU 958 Cb 0.00 -1.94 -0.08 0.00 0.26 0.00 0.00 34.13 32.38 2qf7 s GLU 958 CO 0.00 0.48 1.07 0.00 -0.54 0.00 0.00 175.26 176.27 2qf7 s ALA 959 N -0.46 2.85 -0.83 6.30 0.00 -1.26 -4.98 121.76 123.38 2qf7 s ALA 959 Ca 0.06 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 2qf7 s ALA 959 Cb -0.10 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.85 2qf7 s ALA 959 CO 0.00 -0.43 1.02 0.34 0.00 0.00 0.00 175.76 176.68 2qf7 s ASP 960 N -1.86 6.51 0.26 0.00 -1.08 -1.26 -4.91 116.67 114.33 2qf7 s ASP 960 Ca 0.68 -1.84 0.02 0.00 -0.52 0.00 0.00 52.55 50.89 2qf7 s ASP 960 Cb -0.19 -2.37 0.33 0.00 -1.46 0.00 0.00 42.92 39.23 2qf7 s ASP 960 CO 0.23 -1.10 1.65 -0.07 0.52 0.00 0.00 175.17 176.41 2qf7 h LEU 961 N 10.30 0.45 -0.79 -1.34 3.38 -1.99 -0.47 115.31 124.86 2qf7 h LEU 961 Ca 0.02 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2qf7 h LEU 961 Cb 1.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2qf7 h LEU 961 CO 1.09 0.79 -0.30 0.44 0.09 0.00 0.00 178.44 180.55 2qf7 h ASP 962 N 0.36 0.59 -0.23 -0.43 3.32 -1.99 -0.96 116.42 117.08 2qf7 h ASP 962 Ca 0.04 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.68 2qf7 h ASP 962 Cb 0.83 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2qf7 h ASP 962 CO 0.07 0.86 -0.56 0.00 -1.72 0.00 0.00 179.24 177.89 2qf7 h ALA 963 N 1.18 0.37 -0.89 3.45 0.00 -1.91 -2.69 119.26 118.77 2qf7 h ALA 963 Ca 0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2qf7 h ALA 963 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2qf7 h ALA 963 CO 0.06 0.59 0.46 0.93 0.00 0.00 0.00 179.25 181.29 2qf7 h GLU 964 N 0.52 1.25 -0.60 0.00 5.08 -1.00 -2.21 114.58 117.62 2qf7 h GLU 964 Ca -0.01 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2qf7 h GLU 964 Cb 1.17 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2qf7 h GLU 964 CO 0.12 0.93 0.36 -0.09 -1.00 0.00 0.00 179.01 179.34 2qf7 h ARG 965 N 1.25 0.69 -0.24 2.33 9.65 -1.18 -2.52 114.38 124.36 2qf7 h ARG 965 Ca 0.31 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.08 2qf7 h ARG 965 Cb 0.07 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2qf7 h ARG 965 CO -0.05 0.46 -0.13 0.87 2.80 0.00 0.00 179.97 183.92 2qf7 h LYS 966 N 0.71 0.40 0.26 0.20 1.57 -1.20 -1.37 116.57 117.15 2qf7 h LYS 966 Ca 0.24 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2qf7 h LYS 966 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2qf7 h LYS 966 CO -0.10 0.54 -0.13 0.28 -0.57 0.00 0.00 179.45 179.47 2qf7 h VAL 967 N 0.37 0.74 -0.48 0.50 2.07 -0.98 0.30 116.25 118.78 2qf7 h VAL 967 Ca 0.07 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 2qf7 h VAL 967 Cb 0.46 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2qf7 h VAL 967 CO 0.03 0.01 -0.20 -0.29 0.02 0.00 0.00 177.57 177.13 2qf7 h ILE 968 N -0.37 1.27 -0.58 4.57 6.09 -1.41 -2.09 117.51 124.99 2qf7 h ILE 968 Ca -0.04 -1.36 -0.02 0.00 -1.37 0.00 0.00 64.86 62.08 2qf7 h ILE 968 Cb 0.28 1.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.65 2qf7 h ILE 968 CO 0.06 0.47 0.28 -0.33 -3.07 0.00 0.00 178.15 175.56 2qf7 h GLU 969 N 0.84 0.83 -0.33 2.19 5.08 -1.18 -0.60 114.58 121.41 2qf7 h GLU 969 Ca 0.11 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qf7 h GLU 969 Cb 0.77 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2qf7 h GLU 969 CO 0.06 0.67 0.19 0.87 -1.00 0.00 0.00 179.01 179.81 2qf7 h LYS 970 N 0.78 0.39 -0.35 2.33 1.57 -0.90 0.14 116.57 120.53 2qf7 h LYS 970 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2qf7 h LYS 970 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2qf7 h LYS 970 CO -0.03 0.26 0.23 -0.22 -0.57 0.00 0.00 179.45 179.12 2qf7 h LYS 971 N 0.40 0.47 0.00 3.15 1.63 -1.07 -2.35 116.57 118.79 2qf7 h LYS 971 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2qf7 h LYS 971 Cb -0.01 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2qf7 h LYS 971 CO -0.05 0.32 -0.06 1.28 -3.45 0.00 0.00 179.45 177.49 2qf7 n LEU 972 N -4.84 0.47 -2.57 5.20 4.77 -0.26 -4.94 117.00 114.84 2qf7 n LEU 972 Ca -0.00 0.50 -0.18 0.00 -0.03 0.00 0.00 56.01 56.30 2qf7 n LEU 972 Cb 0.03 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 2qf7 n LEU 972 CO 0.34 -0.09 0.07 -0.62 -1.33 0.00 0.00 177.39 175.77 2qf7 n GLU 973 N -1.92 -4.71 -3.64 3.23 1.02 0.43 -4.98 120.64 110.06 2qf7 n GLU 973 Ca 0.06 0.68 -0.05 0.00 -0.02 0.00 0.00 57.16 57.83 2qf7 n GLU 973 Cb 0.39 -5.12 -0.02 0.00 -0.02 0.00 0.00 31.44 26.68 2qf7 n GLU 973 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2qf7 s ARG 974 N -5.66 0.99 0.49 3.49 1.70 -0.81 -5.03 118.95 114.12 2qf7 s ARG 974 Ca 0.32 -0.49 -0.21 0.00 -0.47 0.00 0.00 55.73 54.88 2qf7 s ARG 974 Cb -0.14 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 2qf7 s ARG 974 CO 0.39 -0.45 1.10 -1.21 -1.08 0.00 0.00 175.30 174.05 2qf7 s GLU 975 N -3.16 3.68 0.26 3.89 2.02 -1.26 -4.41 118.70 119.72 2qf7 s GLU 975 Ca 0.09 1.55 0.10 0.00 0.02 0.00 0.00 54.97 56.73 2qf7 s GLU 975 Cb -0.01 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 2qf7 s GLU 975 CO -0.03 -0.56 -0.05 0.14 0.02 0.00 0.00 175.26 174.77 2qf7 s VAL 976 N -1.78 3.21 0.74 2.63 -7.23 -1.26 -5.05 120.40 111.67 2qf7 s VAL 976 Ca 0.67 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 2qf7 s VAL 976 Cb -0.22 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.05 2qf7 s VAL 976 CO 0.26 -0.36 1.10 -0.94 -0.31 0.00 0.00 175.10 174.85 2qf7 s SER 977 N -3.58 5.08 0.41 4.85 1.04 -1.26 -4.84 113.70 115.39 2qf7 s SER 977 Ca 0.31 1.15 0.10 0.00 0.48 0.00 0.00 55.95 57.99 2qf7 s SER 977 Cb -0.06 -1.91 0.93 0.00 0.10 0.00 0.00 66.02 65.08 2qf7 s SER 977 CO 0.18 -1.58 2.00 0.44 0.98 0.00 0.00 173.24 175.27 2qf7 h ASP 978 N -0.82 0.45 -0.22 7.02 3.32 -2.00 0.09 116.42 124.26 2qf7 h ASP 978 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2qf7 h ASP 978 Cb 1.26 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2qf7 h ASP 978 CO 0.63 0.29 -0.11 -0.26 -1.72 0.00 0.00 179.24 178.07 2qf7 h PHE 979 N 0.51 0.53 -0.90 4.55 0.04 -1.97 -1.42 116.94 118.28 2qf7 h PHE 979 Ca 0.24 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.91 2qf7 h PHE 979 Cb 0.30 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 2qf7 h PHE 979 CO -0.00 0.74 0.59 0.93 -0.60 0.00 0.00 178.31 179.97 2qf7 h GLU 980 N 0.16 1.12 -0.55 1.51 5.08 -1.82 -1.09 114.58 119.00 2qf7 h GLU 980 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2qf7 h GLU 980 Cb 0.61 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2qf7 h GLU 980 CO 0.03 0.74 0.25 0.35 -1.00 0.00 0.00 179.01 179.38 2qf7 h PHE 981 N 1.16 0.80 -0.94 4.33 3.57 -0.84 -0.69 116.94 124.33 2qf7 h PHE 981 Ca 0.35 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.89 2qf7 h PHE 981 Cb -0.03 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.40 2qf7 h PHE 981 CO -0.01 0.63 0.59 0.00 -2.23 0.00 0.00 178.31 177.28 2qf7 h ALA 982 N 1.09 1.33 -0.28 2.41 0.00 -0.81 -0.64 119.26 122.36 2qf7 h ALA 982 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qf7 h ALA 982 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qf7 h ALA 982 CO -0.02 0.30 0.18 0.77 0.00 0.00 0.00 179.25 180.48 2qf7 h SER 983 N 1.02 0.31 -0.84 0.00 0.02 -0.75 -2.25 113.55 111.07 2qf7 h SER 983 Ca 0.42 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 2qf7 h SER 983 Cb 0.26 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2qf7 h SER 983 CO -0.20 0.23 0.41 0.22 -1.14 0.00 0.00 176.83 176.34 2qf7 h TYR 984 N 0.37 1.21 -0.77 3.45 3.20 -0.74 0.23 116.97 123.94 2qf7 h TYR 984 Ca 0.10 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2qf7 h TYR 984 Cb -0.04 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.82 2qf7 h TYR 984 CO -0.06 0.87 0.36 -0.07 -1.64 0.00 0.00 178.16 177.63 2qf7 h LEU 985 N 1.20 1.01 -0.00 2.82 3.38 -1.00 -1.88 115.31 120.84 2qf7 h LEU 985 Ca 0.29 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2qf7 h LEU 985 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2qf7 h LEU 985 CO -0.04 0.86 -0.23 0.24 0.09 0.00 0.00 178.44 179.37 2qf7 h MET 986 N 1.08 0.16 -2.34 1.13 2.86 -1.17 -3.42 114.93 113.22 2qf7 h MET 986 Ca 0.26 -0.17 -0.59 0.00 -2.06 0.00 0.00 59.70 57.15 2qf7 h MET 986 Cb 0.13 0.05 -0.39 0.00 0.06 0.00 0.00 31.60 31.44 2qf7 h MET 986 CO -0.03 0.90 -0.95 0.66 1.06 0.00 0.00 176.91 178.55 2qf7 n TYR 987 N -4.53 -0.17 -0.07 -0.22 4.01 0.80 -4.48 117.16 112.50 2qf7 n TYR 987 Ca -0.10 -3.51 -0.07 0.00 -0.16 0.00 0.00 57.90 54.07 2qf7 n TYR 987 Cb 0.49 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2qf7 n TYR 987 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qf7 h PRO 988 N 5.15 0.12 -0.09 -0.72 0.13 -1.53 0.10 132.00 135.16 2qf7 h PRO 988 Ca 0.21 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.24 2qf7 h PRO 988 Cb 0.88 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2qf7 h PRO 988 CO 0.45 0.08 -0.29 -0.22 -0.23 0.00 0.00 178.00 177.79 2qf7 h LYS 989 N 0.13 0.37 -0.42 0.86 3.64 -1.95 -1.73 116.57 117.47 2qf7 h LYS 989 Ca 0.13 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2qf7 h LYS 989 Cb 0.16 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2qf7 h LYS 989 CO -0.20 0.89 0.26 0.28 -2.27 0.00 0.00 179.45 178.41 2qf7 h VAL 990 N -0.09 1.07 -0.30 2.00 2.07 -1.94 -0.18 116.25 118.88 2qf7 h VAL 990 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2qf7 h VAL 990 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qf7 h VAL 990 CO 0.06 0.10 0.15 0.15 0.02 0.00 0.00 177.57 178.05 2qf7 h PHE 991 N 0.53 0.42 -0.20 1.57 3.57 -0.84 -0.52 116.94 121.46 2qf7 h PHE 991 Ca 0.16 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2qf7 h PHE 991 Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2qf7 h PHE 991 CO -0.06 0.37 0.06 1.15 -2.23 0.00 0.00 178.31 177.60 2qf7 h THR 992 N 0.35 0.93 -0.71 4.41 2.02 -0.92 0.23 112.91 119.22 2qf7 h THR 992 Ca 0.10 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2qf7 h THR 992 Cb 0.10 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2qf7 h THR 992 CO -0.01 0.03 0.44 0.44 0.37 0.00 0.00 175.52 176.78 2qf7 h ASP 993 N 0.15 0.71 -0.22 4.18 3.32 -0.96 -2.19 116.42 121.41 2qf7 h ASP 993 Ca 0.09 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qf7 h ASP 993 Cb 0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qf7 h ASP 993 CO -0.10 0.48 0.11 0.15 -1.72 0.00 0.00 179.24 178.16 2qf7 h PHE 994 N 0.85 0.32 -0.89 4.55 3.57 -0.57 -0.86 116.94 123.90 2qf7 h PHE 994 Ca 0.29 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2qf7 h PHE 994 Cb 0.06 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2qf7 h PHE 994 CO -0.05 0.32 0.54 0.00 -2.23 0.00 0.00 178.31 176.90 2qf7 h ALA 995 N 0.97 1.28 -0.37 2.41 0.00 -0.70 0.12 119.26 122.97 2qf7 h ALA 995 Ca 0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2qf7 h ALA 995 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qf7 h ALA 995 CO -0.01 0.63 -0.39 -0.07 0.00 0.00 0.00 179.25 179.41 2qf7 h LEU 996 N 1.23 0.98 -0.91 0.00 3.38 -1.32 -2.04 115.31 116.62 2qf7 h LEU 996 Ca 0.32 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2qf7 h LEU 996 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2qf7 h LEU 996 CO -0.06 1.25 -0.16 0.00 0.09 0.00 0.00 178.44 179.56 2qf7 h ALA 997 N 0.76 1.08 -0.57 1.53 0.00 -0.79 -2.85 119.26 118.41 2qf7 h ALA 997 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2qf7 h ALA 997 Cb 0.98 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2qf7 h ALA 997 CO 0.09 0.56 0.21 0.77 0.00 0.00 0.00 179.25 180.89 2qf7 h SER 998 N 0.56 0.76 -0.16 0.00 0.02 -0.65 0.92 113.55 115.01 2qf7 h SER 998 Ca 0.09 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2qf7 h SER 998 Cb 0.60 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2qf7 h SER 998 CO 0.04 0.70 -0.00 -0.78 -1.14 0.00 0.00 176.83 175.64 2qf7 h ASP 999 N 0.82 0.38 0.10 3.07 3.58 -1.16 -0.65 116.42 122.56 2qf7 h ASP 999 Ca 0.19 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 2qf7 h ASP 999 Cb 0.18 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2qf7 h ASP 999 CO -0.02 0.44 -1.18 0.74 -2.88 0.00 0.00 179.24 176.35 2qf7 h THR 1000N 0.39 1.17 0.00 2.25 2.02 -1.22 -3.41 112.91 114.11 2qf7 h THR 1000Ca 0.09 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2qf7 h THR 1000Cb 0.27 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2qf7 h THR 1000CO 0.01 0.66 -0.96 -1.22 0.37 0.00 0.00 175.52 174.38 2qf7 n TYR 1001N -4.06 0.00 -4.40 3.16 4.01 0.28 -4.71 117.16 111.43 2qf7 n TYR 1001Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2qf7 n TYR 1001Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2qf7 n TYR 1001CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qf7 n GLY 1002N 1.44 -0.41 2.52 2.72 0.00 -0.25 -3.16 105.19 108.04 2qf7 n GLY 1002Ca 0.03 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2qf7 n GLY 1002CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qf7 n PRO 1003N 0.00 3.22 0.32 1.61 -0.04 -1.26 -4.73 135.00 134.12 2qf7 n PRO 1003Ca 0.00 -2.34 0.21 0.00 -0.04 0.00 0.00 63.50 61.34 2qf7 n PRO 1003Cb 0.00 -3.00 1.10 0.00 -0.04 0.00 0.00 33.50 31.56 2qf7 n PRO 1003CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2qf7 h VAL 1004N 3.49 0.00 -0.04 0.52 -1.51 -1.84 -1.44 116.25 115.43 2qf7 h VAL 1004Ca 0.72 -0.10 0.01 0.00 -1.23 0.00 0.00 66.70 66.10 2qf7 h VAL 1004Cb 0.44 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2qf7 h VAL 1004CO 1.83 0.00 0.19 0.77 -1.23 0.00 0.00 177.57 179.12 2qf7 h SER 1005N 0.00 0.00 1.01 4.19 4.64 -1.85 -0.98 113.55 120.56 2qf7 h SER 1005Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qf7 h SER 1005Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2qf7 h SER 1005CO 0.00 0.00 -0.13 1.33 -0.87 0.00 0.00 176.83 177.16 2qf7 n VAL 1006N -3.15 0.15 -2.45 0.95 0.24 -0.54 -4.11 118.33 109.43 2qf7 n VAL 1006Ca -0.02 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.81 2qf7 n VAL 1006Cb 0.26 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 2qf7 n VAL 1006CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qf7 s LEU 1007N -3.42 4.41 0.68 1.34 1.43 -0.37 -4.37 118.68 118.38 2qf7 s LEU 1007Ca 0.12 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.31 2qf7 s LEU 1007Cb 0.17 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2qf7 s LEU 1007CO 0.59 -0.30 1.02 -2.65 0.23 0.00 0.00 176.35 175.24 2qf7 n PRO 1008N 0.76 0.68 -0.23 1.29 -0.02 -1.26 -4.71 135.00 131.51 2qf7 n PRO 1008Ca 0.01 0.29 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 2qf7 n PRO 1008Cb 0.46 -2.26 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 2qf7 n PRO 1008CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2qf7 h THR 1009N 0.02 1.04 -0.55 3.45 2.02 -1.96 -0.92 112.91 116.00 2qf7 h THR 1009Ca -0.48 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 2qf7 h THR 1009Cb 1.34 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2qf7 h THR 1009CO 0.49 0.14 0.27 -0.65 0.37 0.00 0.00 175.52 176.14 2qf7 h PRO 1010N 0.76 0.77 -0.25 6.66 0.11 -1.91 -1.69 132.00 136.45 2qf7 h PRO 1010Ca 0.28 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 2qf7 h PRO 1010Cb 0.09 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2qf7 h PRO 1010CO -0.14 0.60 -0.47 0.00 -0.21 0.00 0.00 178.00 177.78 2qf7 h ALA 1011N 1.52 0.70 -0.02 -0.75 0.00 -1.63 0.80 119.26 119.88 2qf7 h ALA 1011Ca 0.19 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2qf7 h ALA 1011Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qf7 h ALA 1011CO -0.03 0.67 -0.06 -0.92 0.00 0.00 0.00 179.25 178.91 2qf7 h TYR 1012N 0.53 -0.15 0.02 0.00 3.20 -0.54 0.26 116.97 120.29 2qf7 h TYR 1012Ca 0.03 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.66 2qf7 h TYR 1012Cb 1.01 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2qf7 h TYR 1012CO 0.05 -0.10 -1.27 0.74 -1.64 0.00 0.00 178.16 175.94 2qf7 h PHE 1013N -0.10 0.07 0.00 -3.82 0.04 -1.30 -3.41 116.94 108.42 2qf7 h PHE 1013Ca 0.03 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2qf7 h PHE 1013Cb 0.14 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2qf7 h PHE 1013CO -0.14 1.05 0.00 0.66 -0.60 0.00 0.00 178.31 179.28 2qf7 n TYR 1014N -3.28 0.00 -4.35 -0.55 4.01 0.27 -3.76 117.16 109.50 2qf7 n TYR 1014Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2qf7 n TYR 1014Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 2qf7 n TYR 1014CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qf7 n GLY 1015N 0.47 -0.41 3.49 2.72 0.00 0.08 -4.48 105.19 107.06 2qf7 n GLY 1015Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 2qf7 n GLY 1015CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf7 s LEU 1016N 0.00 3.18 0.96 0.99 1.43 -1.26 -4.21 118.68 119.77 2qf7 s LEU 1016Ca 0.00 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2qf7 s LEU 1016Cb 0.00 -1.76 0.16 0.00 0.03 0.00 0.00 46.19 44.63 2qf7 s LEU 1016CO 0.00 0.18 1.09 0.00 0.23 0.00 0.00 176.35 177.84 2qf7 s ALA 1017N 0.32 1.12 0.14 4.21 0.00 -1.26 -4.91 121.76 121.38 2qf7 s ALA 1017Ca -0.05 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 2qf7 s ALA 1017Cb -0.14 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2qf7 s ALA 1017CO 0.03 -2.71 1.34 0.34 0.00 0.00 0.00 175.76 174.76 2qf7 s ASP 1018N -3.19 6.87 0.00 0.00 2.15 -1.26 -1.14 116.67 120.10 2qf7 s ASP 1018Ca 0.65 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.95 2qf7 s ASP 1018Cb -0.20 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2qf7 s ASP 1018CO 0.58 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 2qf7 n GLY 1019N 3.07 2.15 3.78 2.66 0.00 0.27 -5.02 105.19 112.09 2qf7 n GLY 1019Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2qf7 n GLY 1019CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qf7 s GLU 1020N -0.10 4.44 0.07 1.61 2.12 -0.29 -4.78 118.70 121.77 2qf7 s GLU 1020Ca 0.00 1.44 0.09 0.00 0.36 0.00 0.00 54.97 56.86 2qf7 s GLU 1020Cb 0.00 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 2qf7 s GLU 1020CO 0.00 0.12 -0.22 -2.00 -0.54 0.00 0.00 175.26 172.62 2qf7 s GLU 1021N -2.16 1.81 0.03 4.30 2.12 -1.26 -1.46 118.70 122.09 2qf7 s GLU 1021Ca 0.52 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.74 2qf7 s GLU 1021Cb -0.21 -2.06 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 2qf7 s GLU 1021CO 0.27 0.50 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.26 2qf7 s LEU 1022N -1.64 2.23 -0.11 2.70 0.20 0.79 -4.99 118.68 117.85 2qf7 s LEU 1022Ca 0.14 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.47 2qf7 s LEU 1022Cb -0.10 -0.07 -0.02 0.00 -0.43 0.00 0.00 46.19 45.56 2qf7 s LEU 1022CO 0.05 -0.21 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.44 2qf7 s PHE 1023N -1.28 2.88 -0.02 5.38 0.40 -1.26 -0.59 117.98 123.48 2qf7 s PHE 1023Ca -0.11 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2qf7 s PHE 1023Cb -0.09 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2qf7 s PHE 1023CO -0.00 -0.00 -0.05 0.00 0.70 0.00 0.00 175.22 175.87 2qf7 s ALA 1024N -0.02 0.51 -0.45 5.36 0.00 -0.61 -4.70 121.76 121.84 2qf7 s ALA 1024Ca -0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2qf7 s ALA 1024Cb -0.14 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2qf7 s ALA 1024CO 0.03 0.06 0.48 -0.51 0.00 0.00 0.00 175.76 175.82 2qf7 s ASP 1025N 0.33 6.19 0.27 0.00 1.11 -1.26 0.02 116.67 123.33 2qf7 s ASP 1025Ca -0.04 -0.85 0.08 0.00 0.18 0.00 0.00 52.55 51.92 2qf7 s ASP 1025Cb -0.07 -2.23 0.35 0.00 1.07 0.00 0.00 42.92 42.04 2qf7 s ASP 1025CO -0.00 -0.67 1.62 0.16 1.18 0.00 0.00 175.17 177.45 2qf7 h ILE 1026N 5.77 1.39 -3.82 0.77 3.07 -1.73 -3.46 117.51 119.50 2qf7 h ILE 1026Ca -0.27 -1.93 -0.16 0.00 1.55 0.00 0.00 64.86 64.05 2qf7 h ILE 1026Cb 1.11 2.00 -0.08 0.00 -0.27 0.00 0.00 36.82 39.58 2qf7 h ILE 1026CO 0.85 0.56 -0.12 -1.83 -1.05 0.00 0.00 178.15 176.56 2qf7 s GLU 1027N -3.77 1.78 -0.05 0.16 -1.05 -1.25 -5.06 118.70 109.46 2qf7 s GLU 1027Ca -0.03 -1.51 -0.36 0.00 -0.15 0.00 0.00 54.97 52.92 2qf7 s GLU 1027Cb 0.13 0.47 -0.14 0.00 -0.44 0.00 0.00 34.13 34.15 2qf7 s GLU 1027CO 0.77 -0.75 1.70 1.17 0.95 0.00 0.00 175.26 179.11 2qf7 n LYS 1028N -0.48 1.77 -0.79 -4.83 4.81 -1.26 -1.67 118.16 115.72 2qf7 n LYS 1028Ca -0.01 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2qf7 n LYS 1028Cb 0.62 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.26 2qf7 n LYS 1028CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qf7 n GLY 1029N 3.86 0.66 2.65 3.14 0.00 -1.26 -4.97 105.19 109.28 2qf7 n GLY 1029Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2qf7 n GLY 1029CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qf7 n LYS 1030N -2.63 1.29 -3.54 1.61 5.02 -0.67 -5.08 118.16 114.15 2qf7 n LYS 1030Ca 0.00 -4.00 -0.38 0.00 -2.02 0.00 0.00 58.31 51.91 2qf7 n LYS 1030Cb 0.00 -2.02 -0.10 0.00 -0.02 0.00 0.00 35.03 32.89 2qf7 n LYS 1030CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qf7 s THR 1031N -1.04 5.28 -0.01 -0.18 2.01 -1.26 -1.81 115.64 118.63 2qf7 s THR 1031Ca 0.29 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.54 2qf7 s THR 1031Cb 0.01 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2qf7 s THR 1031CO -0.16 0.25 0.26 -0.76 -0.69 0.00 0.00 174.62 173.52 2qf7 s LEU 1032N 1.61 4.38 -0.19 4.42 1.43 0.10 -4.90 118.68 125.53 2qf7 s LEU 1032Ca 0.10 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2qf7 s LEU 1032Cb -0.15 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2qf7 s LEU 1032CO 0.09 0.28 -0.05 -0.69 0.23 0.00 0.00 176.35 176.21 2qf7 s VAL 1033N -1.25 3.46 -0.11 -1.59 1.01 -1.26 -1.58 120.40 119.09 2qf7 s VAL 1033Ca 0.26 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2qf7 s VAL 1033Cb -0.13 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2qf7 s VAL 1033CO 0.14 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.86 2qf7 s ILE 1034N 1.09 1.82 -0.06 2.22 1.01 0.24 -0.45 121.20 127.07 2qf7 s ILE 1034Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2qf7 s ILE 1034Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2qf7 s ILE 1034CO -0.00 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.54 2qf7 s VAL 1035N 0.65 1.78 -0.63 2.92 1.01 -0.13 -0.15 120.40 125.85 2qf7 s VAL 1035Ca -0.13 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 2qf7 s VAL 1035Cb -0.16 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.73 2qf7 s VAL 1035CO 0.03 0.50 1.14 0.21 0.00 0.00 0.00 175.10 176.98 2qf7 s ASN 1036N 0.02 6.32 -0.07 3.32 3.84 -0.53 -0.86 114.94 126.97 2qf7 s ASN 1036Ca -0.06 -0.25 -0.19 0.00 0.21 0.00 0.00 52.86 52.56 2qf7 s ASN 1036Cb -0.14 -2.52 -0.29 0.00 -0.55 0.00 0.00 41.25 37.75 2qf7 s ASN 1036CO 0.04 -1.52 0.74 -0.61 -2.79 0.00 0.00 177.10 172.96 2qf7 h GLN 1037N 9.63 0.28 -2.14 0.43 4.15 -1.40 0.76 115.11 126.82 2qf7 h GLN 1037Ca -0.26 -0.47 0.02 0.00 0.77 0.00 0.00 58.65 58.70 2qf7 h GLN 1037Cb 1.06 0.18 -0.18 0.00 0.21 0.00 0.00 27.48 28.75 2qf7 h GLN 1037CO 1.19 1.23 0.35 0.00 -1.93 0.00 0.00 178.83 179.66 2qf7 s ALA 1038N -2.45 -1.79 -0.09 3.38 0.00 -1.07 -4.56 121.76 115.18 2qf7 s ALA 1038Ca -0.16 1.16 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2qf7 s ALA 1038Cb 0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2qf7 s ALA 1038CO 0.80 -0.50 -0.10 0.08 0.00 0.00 0.00 175.76 176.04 2qf7 s VAL 1039N -2.08 1.09 0.80 0.00 1.01 -1.26 -0.53 120.40 119.43 2qf7 s VAL 1039Ca -0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2qf7 s VAL 1039Cb -0.01 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.40 2qf7 s VAL 1039CO -0.01 0.36 1.12 -0.94 0.00 0.00 0.00 175.10 175.64 2qf7 s SER 1040N 1.12 4.56 0.71 3.32 1.04 0.02 -5.01 113.70 119.45 2qf7 s SER 1040Ca -0.06 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.31 2qf7 s SER 1040Cb -0.14 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.25 2qf7 s SER 1040CO -0.02 -1.90 1.16 0.00 0.98 0.00 0.00 173.24 173.46 2qf7 s ALA 1041N -3.32 2.23 0.32 5.32 0.00 -1.26 -4.63 121.76 120.42 2qf7 s ALA 1041Ca 0.61 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2qf7 s ALA 1041Cb -0.13 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 2qf7 s ALA 1041CO 0.52 -1.67 1.41 2.41 0.00 0.00 0.00 175.76 178.43 2qf7 n THR 1042N -2.69 1.59 -2.79 0.00 -1.04 -1.26 -4.59 114.28 103.50 2qf7 n THR 1042Ca 0.12 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.05 61.51 2qf7 n THR 1042Cb 0.51 -1.69 0.09 0.00 -1.82 0.00 0.00 70.33 67.42 2qf7 n THR 1042CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2qf7 s ASP 1043N 0.00 4.63 0.19 8.00 1.47 -0.30 -4.93 116.67 125.74 2qf7 s ASP 1043Ca 0.59 -0.60 0.16 0.00 1.18 0.00 0.00 52.55 53.88 2qf7 s ASP 1043Cb -0.56 0.17 0.78 0.00 -0.34 0.00 0.00 42.92 42.97 2qf7 s ASP 1043CO 0.57 -1.67 1.48 -1.54 0.68 0.00 0.00 175.17 174.69 2qf7 n SER 1044N -2.60 0.38 -0.92 2.11 3.41 -1.26 -0.37 113.62 114.37 2qf7 n SER 1044Ca 0.16 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2qf7 n SER 1044Cb 0.61 -0.71 0.23 0.00 -0.26 0.00 0.00 64.21 64.08 2qf7 n SER 1044CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qf7 n GLN 1045N -1.98 2.24 -0.98 4.33 6.02 -1.26 -4.95 117.38 120.80 2qf7 n GLN 1045Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 2qf7 n GLN 1045Cb 0.07 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2qf7 n GLN 1045CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qf7 n GLY 1046N 1.36 0.44 3.69 1.08 0.00 0.50 -3.97 105.19 108.29 2qf7 n GLY 1046Ca 0.17 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2qf7 n GLY 1046CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qf7 s MET 1047N -1.22 2.97 -0.14 1.61 -1.94 -1.25 -0.68 119.30 118.65 2qf7 s MET 1047Ca 0.00 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.52 2qf7 s MET 1047Cb 0.00 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.02 2qf7 s MET 1047CO 0.00 0.69 -0.02 0.08 -0.01 0.00 0.00 175.02 175.77 2qf7 s VAL 1048N -0.92 4.12 -0.23 -6.03 1.01 0.28 -1.15 120.40 117.47 2qf7 s VAL 1048Ca 0.14 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2qf7 s VAL 1048Cb -0.11 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2qf7 s VAL 1048CO 0.04 0.52 0.36 -0.89 0.00 0.00 0.00 175.10 175.13 2qf7 s THR 1049N 0.00 5.21 -0.25 3.92 2.01 -1.26 -1.40 115.64 123.88 2qf7 s THR 1049Ca 0.02 0.59 -0.10 0.00 0.31 0.00 0.00 61.69 62.50 2qf7 s THR 1049Cb -0.13 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2qf7 s THR 1049CO 0.02 0.23 0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 2qf7 s VAL 1050N 1.57 5.31 -0.51 3.82 1.01 -0.03 -0.80 120.40 130.76 2qf7 s VAL 1050Ca 0.16 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2qf7 s VAL 1050Cb -0.15 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.81 2qf7 s VAL 1050CO 0.08 0.33 0.60 -0.36 0.00 0.00 0.00 175.10 175.76 2qf7 s PHE 1051N 1.18 3.07 0.27 5.22 0.08 0.31 -1.59 117.98 126.52 2qf7 s PHE 1051Ca 0.07 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 2qf7 s PHE 1051Cb -0.14 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.72 2qf7 s PHE 1051CO 0.05 -1.04 0.46 -0.06 -0.10 0.00 0.00 175.22 174.54 2qf7 s PHE 1052N 2.50 3.48 -0.18 0.36 0.08 0.72 -0.99 117.98 123.95 2qf7 s PHE 1052Ca 0.13 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.48 2qf7 s PHE 1052Cb -0.21 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2qf7 s PHE 1052CO 0.10 0.27 -0.04 -1.21 -0.10 0.00 0.00 175.22 174.25 2qf7 s GLU 1053N -3.76 3.54 -0.16 0.44 0.41 -0.04 -1.02 118.70 118.11 2qf7 s GLU 1053Ca 0.39 -0.57 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 2qf7 s GLU 1053Cb -0.10 -2.95 0.02 0.00 -1.78 0.00 0.00 34.13 29.32 2qf7 s GLU 1053CO 0.31 0.06 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.82 2qf7 s LEU 1054N 0.83 1.89 -1.38 1.80 2.96 0.99 -0.96 118.68 124.81 2qf7 s LEU 1054Ca -0.01 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 2qf7 s LEU 1054Cb -0.15 -1.27 0.10 0.00 0.50 0.00 0.00 46.19 45.37 2qf7 s LEU 1054CO 0.02 -0.05 0.57 0.59 -1.32 0.00 0.00 176.35 176.16 2qf7 n ASN 1055N 4.72 -3.46 0.00 3.68 3.02 0.41 -0.56 115.26 123.07 2qf7 n ASN 1055Ca -0.18 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2qf7 n ASN 1055Cb 0.50 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 2qf7 n ASN 1055CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qf7 n GLY 1056N -1.21 0.95 3.40 7.41 0.00 -1.26 -5.03 105.19 109.43 2qf7 n GLY 1056Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2qf7 n GLY 1056CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qf7 s GLN 1057N -0.36 2.28 0.28 1.61 -1.52 0.27 -5.06 119.66 117.17 2qf7 s GLN 1057Ca 0.00 -0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 52.29 2qf7 s GLN 1057Cb 0.00 -2.20 -0.10 0.00 -0.22 0.00 0.00 33.01 30.49 2qf7 s GLN 1057CO 0.00 0.59 1.35 -1.25 -0.25 0.00 0.00 175.29 175.73 2qf7 s PRO 1058N -0.72 4.33 -0.03 2.91 0.04 -1.26 -0.01 135.00 140.26 2qf7 s PRO 1058Ca 0.11 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 2qf7 s PRO 1058Cb -0.10 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.36 2qf7 s PRO 1058CO 0.00 -0.28 0.04 1.03 0.04 0.00 0.00 177.00 177.83 2qf7 s ARG 1059N -1.03 -0.01 -0.19 4.56 1.81 -0.18 -4.89 118.95 119.01 2qf7 s ARG 1059Ca 0.54 0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 54.72 2qf7 s ARG 1059Cb -0.40 -0.40 -0.05 0.00 -0.45 0.00 0.00 34.95 33.65 2qf7 s ARG 1059CO 0.47 -0.24 0.11 1.03 -0.68 0.00 0.00 175.30 175.99 2qf7 s ARG 1060N 1.57 4.09 -0.08 3.54 0.52 -1.26 -0.20 118.95 127.13 2qf7 s ARG 1060Ca -0.03 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 2qf7 s ARG 1060Cb -0.13 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.02 2qf7 s ARG 1060CO -0.03 0.31 -0.14 0.42 0.02 0.00 0.00 175.30 175.88 2qf7 s ILE 1061N 0.31 1.32 -0.15 1.52 -1.09 -0.62 -4.98 121.20 117.51 2qf7 s ILE 1061Ca 0.06 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 2qf7 s ILE 1061Cb -0.11 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 2qf7 s ILE 1061CO -0.01 0.40 0.07 -0.54 -1.23 0.00 0.00 174.94 173.63 2qf7 s LYS 1062N 0.79 3.64 0.11 2.79 1.02 -1.26 -0.85 119.74 125.97 2qf7 s LYS 1062Ca -0.12 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.61 2qf7 s LYS 1062Cb -0.16 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2qf7 s LYS 1062CO 0.02 0.49 -0.11 0.14 -0.92 0.00 0.00 175.35 174.97 2qf7 s VAL 1063N -0.24 1.07 0.39 3.17 -7.23 -0.49 -4.96 120.40 112.11 2qf7 s VAL 1063Ca 0.08 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.33 2qf7 s VAL 1063Cb -0.12 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 2qf7 s VAL 1063CO 0.01 -0.51 1.28 -2.84 -0.31 0.00 0.00 175.10 172.73 2qf7 s PRO 1064N -2.74 4.03 -1.45 4.82 0.02 -1.26 -0.55 135.00 137.87 2qf7 s PRO 1064Ca 0.06 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 2qf7 s PRO 1064Cb -0.04 -2.78 0.05 0.00 0.02 0.00 0.00 34.50 31.75 2qf7 s PRO 1064CO 0.01 -0.42 2.26 -3.47 -0.33 0.00 0.00 177.00 175.05 2qf7 n ASP 1065N 0.20 4.79 0.25 2.53 -0.08 0.14 -4.74 116.55 119.65 2qf7 n ASP 1065Ca 0.03 -2.86 0.12 0.00 -1.51 0.00 0.00 54.79 50.57 2qf7 n ASP 1065Cb 0.44 -1.61 0.75 0.00 2.34 0.00 0.00 41.12 43.04 2qf7 n ASP 1065CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2qf7 h ARG 1066N 5.79 0.00 -0.16 -0.67 3.08 -1.86 -1.69 114.38 118.88 2qf7 h ARG 1066Ca 0.58 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.59 2qf7 h ARG 1066Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2qf7 h ARG 1066CO 1.82 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 180.65 2qf7 h ALA 1067N 1.96 1.59 -0.46 0.04 0.00 -1.86 -2.68 119.26 117.85 2qf7 h ALA 1067Ca 0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 2qf7 h ALA 1067Cb 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2qf7 h ALA 1067CO -0.00 0.30 0.08 0.72 0.00 0.00 0.00 179.25 180.35 2qf7 n HIS 1068N -4.33 1.48 -0.51 0.00 8.25 -0.70 -4.96 115.22 114.44 2qf7 n HIS 1068Ca -0.01 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 2qf7 n HIS 1068Cb 0.22 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2qf7 n HIS 1068CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qf7 n GLY 1069N -0.82 0.72 2.04 -1.41 0.00 -1.01 -4.99 105.19 99.72 2qf7 n GLY 1069Ca 0.34 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2qf7 n GLY 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 n ALA 1070N -0.46 5.18 -2.00 4.61 0.00 -0.82 -4.91 120.51 122.11 2qf7 n ALA 1070Ca 0.00 -2.46 -0.42 0.00 0.00 0.00 0.00 53.44 50.55 2qf7 n ALA 1070Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 2qf7 n ALA 1070CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qf7 s THR 1071N -2.88 3.56 0.00 0.00 2.01 -1.26 -3.66 115.64 113.42 2qf7 s THR 1071Ca 0.48 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.15 2qf7 s THR 1071Cb 0.40 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.45 2qf7 s THR 1071CO 0.08 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2qf7 n GLY 1072N 4.25 1.97 2.97 4.40 0.00 -1.26 -5.12 105.19 112.41 2qf7 n GLY 1072Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2qf7 n GLY 1072CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 1073N -2.00 0.77 0.00 4.61 0.00 -1.24 -4.87 121.76 119.03 2qf7 s ALA 1073Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2qf7 s ALA 1073Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2qf7 s ALA 1073CO 0.00 0.10 0.37 0.00 0.00 0.00 0.00 175.76 176.23 2qf7 n ALA 1074N 3.47 1.57 -0.03 0.00 0.00 -1.26 -4.76 120.51 119.50 2qf7 n ALA 1074Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2qf7 n ALA 1074Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2qf7 n ALA 1074CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qf7 n VAL 1075N 0.00 -0.05 -1.74 0.00 0.24 -1.25 -4.82 118.33 110.70 2qf7 n VAL 1075Ca 0.00 1.28 -0.43 0.00 -2.04 0.00 0.00 64.34 63.15 2qf7 n VAL 1075Cb 0.42 -1.69 -0.03 0.00 -1.47 0.00 0.00 33.84 31.06 2qf7 n VAL 1075CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2qf7 s ARG 1076N -3.20 3.60 0.27 7.34 3.00 -1.26 -5.01 118.95 123.69 2qf7 s ARG 1076Ca -0.01 2.12 -0.30 0.00 0.00 0.00 0.00 55.73 57.55 2qf7 s ARG 1076Cb 0.01 -4.23 -0.10 0.00 0.00 0.00 0.00 34.95 30.62 2qf7 s ARG 1076CO 0.04 -1.56 1.42 1.03 0.00 0.00 0.00 175.30 176.23 2qf7 s ARG 1077N 5.38 4.28 0.00 3.54 1.81 -1.26 -4.88 118.95 127.81 2qf7 s ARG 1077Ca 0.90 2.30 0.00 0.00 -1.72 0.00 0.00 55.73 57.21 2qf7 s ARG 1077Cb -0.34 -3.10 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 2qf7 s ARG 1077CO 0.36 -0.38 0.00 1.63 -0.68 0.00 0.00 175.30 176.23 2qf7 n LYS 1078N 2.00 0.00 -3.23 3.54 5.02 -1.25 -0.98 118.16 123.26 2qf7 n LYS 1078Ca 0.05 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 56.18 2qf7 n LYS 1078Cb 0.40 -0.58 -0.06 0.00 -0.02 0.00 0.00 35.03 34.77 2qf7 n LYS 1078CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qf7 s ALA 1079N -0.25 3.57 -0.26 7.82 0.00 0.11 -4.53 121.76 128.21 2qf7 s ALA 1079Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 2qf7 s ALA 1079Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 2qf7 s ALA 1079CO 0.00 0.38 0.78 -1.21 0.00 0.00 0.00 175.76 175.71 2qf7 s GLU 1080N -1.11 4.11 0.63 0.00 2.02 -1.26 -4.95 118.70 118.14 2qf7 s GLU 1080Ca 0.30 0.76 0.33 0.00 0.02 0.00 0.00 54.97 56.38 2qf7 s GLU 1080Cb -0.20 -3.67 1.87 0.00 0.10 0.00 0.00 34.13 32.23 2qf7 s GLU 1080CO 0.20 -0.54 2.14 -1.35 0.02 0.00 0.00 175.26 175.73 2qf7 h PRO 1081N 7.85 0.00 0.83 0.39 0.11 -1.97 -2.66 132.00 136.55 2qf7 h PRO 1081Ca -0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 2qf7 h PRO 1081Cb 1.10 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.22 2qf7 h PRO 1081CO 0.86 0.00 -0.40 0.78 -0.21 0.00 0.00 178.00 179.03 2qf7 h GLY 1082N 0.00 -1.16 -2.72 -0.55 0.00 -1.92 -3.49 103.07 93.24 2qf7 h GLY 1082Ca 0.04 0.43 -0.44 0.00 0.00 0.00 0.00 47.33 47.36 2qf7 h GLY 1082CO -0.00 -0.42 -0.31 0.54 0.00 0.00 0.00 176.54 176.34 2qf7 s ASN 1083N -4.22 5.92 -0.07 0.19 6.03 -1.00 -5.06 114.94 116.73 2qf7 s ASN 1083Ca -0.19 -0.18 0.12 0.00 -1.03 0.00 0.00 52.86 51.58 2qf7 s ASN 1083Cb 0.03 -1.18 -0.18 0.00 -3.03 0.00 0.00 41.25 36.88 2qf7 s ASN 1083CO 0.61 -0.49 0.16 0.00 -2.03 0.00 0.00 177.10 175.35 2qf7 n ALA 1084N -1.70 2.08 0.00 3.54 0.00 -1.26 -2.65 120.51 120.52 2qf7 n ALA 1084Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2qf7 n ALA 1084Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2qf7 n ALA 1084CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf7 n ALA 1085N -2.22 0.00 -2.63 0.00 0.00 -1.26 -4.88 120.51 109.52 2qf7 n ALA 1085Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 2qf7 n ALA 1085Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 2qf7 n ALA 1085CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qf7 s HIS 1086N 0.00 2.78 -0.41 0.00 3.76 -1.09 -1.03 115.29 119.30 2qf7 s HIS 1086Ca 0.00 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.63 2qf7 s HIS 1086Cb 0.00 -1.70 0.09 0.00 1.11 0.00 0.00 32.58 32.09 2qf7 s HIS 1086CO 0.00 0.14 0.23 0.08 -0.85 0.00 0.00 174.74 174.33 2qf7 s VAL 1087N -0.51 3.78 -0.04 -0.90 1.01 -0.18 -4.96 120.40 118.59 2qf7 s VAL 1087Ca 0.07 -1.69 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 2qf7 s VAL 1087Cb -0.12 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2qf7 s VAL 1087CO 0.02 -0.57 0.15 -0.83 0.00 0.00 0.00 175.10 173.86 2qf7 s GLY 1088N 2.03 2.13 0.04 4.51 0.00 -1.26 0.91 107.32 115.68 2qf7 s GLY 1088Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 2qf7 s GLY 1088CO -0.01 -0.58 1.57 0.00 0.00 0.00 0.00 173.10 174.08 2qf7 s ALA 1089N -1.20 3.65 -0.38 3.20 0.00 0.07 -4.80 121.76 122.30 2qf7 s ALA 1089Ca 0.22 1.09 0.26 0.00 0.00 0.00 0.00 51.96 53.53 2qf7 s ALA 1089Cb -0.12 -3.67 1.03 0.00 0.00 0.00 0.00 23.12 20.36 2qf7 s ALA 1089CO 0.13 -1.06 1.78 -1.00 0.00 0.00 0.00 175.76 175.61 2qf7 h PRO 1090N 8.24 0.00 -2.62 0.00 0.13 -1.91 0.43 132.00 136.26 2qf7 h PRO 1090Ca -0.41 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2qf7 h PRO 1090Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 2qf7 h PRO 1090CO 0.92 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.83 2qf7 s MET 1091N -3.37 1.12 0.38 0.86 0.23 -1.26 -4.80 119.30 112.47 2qf7 s MET 1091Ca 0.04 -0.17 -0.25 0.00 -1.03 0.00 0.00 55.69 54.29 2qf7 s MET 1091Cb 0.09 0.52 -0.09 0.00 -1.53 0.00 0.00 34.83 33.82 2qf7 s MET 1091CO 0.46 -0.42 1.05 -1.25 -2.03 0.00 0.00 175.02 172.82 2qf7 s PRO 1092N -2.51 4.23 0.00 3.16 0.04 -1.26 -3.77 135.00 134.89 2qf7 s PRO 1092Ca -0.05 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2qf7 s PRO 1092Cb -0.01 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2qf7 s PRO 1092CO -0.02 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2qf7 n GLY 1093N 0.42 -0.53 3.35 0.56 0.00 -0.54 -4.85 105.19 103.60 2qf7 n GLY 1093Ca 0.04 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2qf7 n GLY 1093CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qf7 s VAL 1094N -3.00 2.43 0.14 1.61 -7.23 -1.09 0.13 120.40 113.39 2qf7 s VAL 1094Ca 0.00 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 2qf7 s VAL 1094Cb 0.00 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.96 2qf7 s VAL 1094CO 0.00 0.57 1.24 -0.51 -0.31 0.00 0.00 175.10 176.09 2qf7 s ILE 1095N -0.38 3.64 -0.19 -0.62 2.07 0.89 -0.03 121.20 126.58 2qf7 s ILE 1095Ca 0.03 1.28 0.18 0.00 -1.41 0.00 0.00 60.65 60.73 2qf7 s ILE 1095Cb -0.12 -3.82 -0.25 0.00 0.13 0.00 0.00 42.46 38.40 2qf7 s ILE 1095CO 0.02 0.16 0.10 -1.54 -1.91 0.00 0.00 174.94 171.77 2qf7 n SER 1096N 3.16 0.03 -3.70 4.50 3.41 -0.36 -3.71 113.62 116.95 2qf7 n SER 1096Ca 0.07 0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2qf7 n SER 1096Cb 0.45 1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.31 2qf7 n SER 1096CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qf7 s ARG 1097N -2.53 0.57 -0.20 4.33 3.52 -1.23 -4.94 118.95 118.48 2qf7 s ARG 1097Ca -0.10 0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 56.14 2qf7 s ARG 1097Cb 0.06 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.68 2qf7 s ARG 1097CO 0.83 -0.08 0.07 0.08 -0.81 0.00 0.00 175.30 175.40 2qf7 s VAL 1098N 0.36 4.71 -1.94 7.11 1.01 -1.26 -0.46 120.40 129.93 2qf7 s VAL 1098Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 61.98 62.09 2qf7 s VAL 1098Cb -0.04 -3.15 0.25 0.00 0.00 0.00 0.00 36.38 33.44 2qf7 s VAL 1098CO -0.01 0.42 1.16 0.49 0.00 0.00 0.00 175.10 177.17 2qf7 n PHE 1099N 3.93 0.23 -3.92 5.22 3.01 0.55 -4.99 117.46 121.50 2qf7 n PHE 1099Ca -0.16 -0.16 -0.09 0.00 1.01 0.00 0.00 57.45 58.05 2qf7 n PHE 1099Cb 0.52 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 2qf7 n PHE 1099CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2qf7 s VAL 1100N -1.30 0.15 0.00 -4.37 0.11 -1.23 -4.95 120.40 108.81 2qf7 s VAL 1100Ca 0.25 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2qf7 s VAL 1100Cb 0.16 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2qf7 s VAL 1100CO 0.23 -0.68 0.02 -0.24 -3.33 0.00 0.00 175.10 171.10 2qf7 n SER 1101N 0.29 0.00 -2.69 3.54 2.88 -1.26 -5.01 113.62 111.37 2qf7 n SER 1101Ca -0.16 -1.00 -0.06 0.00 -1.33 0.00 0.00 58.87 56.31 2qf7 n SER 1101Cb 0.61 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.16 2qf7 n SER 1101CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2qf7 n SER 1102N 0.00 -1.74 0.00 -3.46 7.64 -1.26 -4.74 113.62 110.07 2qf7 n SER 1102Ca 0.00 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2qf7 n SER 1102Cb 0.29 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 2qf7 n SER 1102CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf7 n GLY 1103N -0.59 1.96 0.00 0.23 0.00 -1.26 -4.60 105.19 100.94 2qf7 n GLY 1103Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2qf7 n GLY 1103CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qf7 n GLN 1104N 1.86 0.00 0.00 1.61 3.00 0.11 -4.82 117.38 119.14 2qf7 n GLN 1104Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qf7 n GLN 1104Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2qf7 n GLN 1104CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qf7 n ALA 1105N -0.03 0.00 0.00 -1.58 0.00 -1.26 -4.67 120.51 112.97 2qf7 n ALA 1105Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qf7 n ALA 1105Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qf7 n ALA 1105CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2qf7 n VAL 1106N 0.00 0.00 0.00 0.00 3.14 -1.21 -1.52 118.33 118.74 2qf7 n VAL 1106Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qf7 n VAL 1106Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2qf7 n VAL 1106CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2qf7 n ASP 1110N 0.00 0.00 -4.70 6.55 10.43 -1.26 -4.91 116.55 122.65 2qf7 n ASP 1110Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 2qf7 n ASP 1110Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 2qf7 n ASP 1110CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2qf7 s VAL 1111N -0.98 4.57 -0.25 2.53 1.01 -1.26 -0.47 120.40 125.55 2qf7 s VAL 1111Ca 0.00 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.67 2qf7 s VAL 1111Cb 0.00 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 2qf7 s VAL 1111CO 0.00 0.08 -0.13 0.18 0.00 0.00 0.00 175.10 175.23 2qf7 n LEU 1112N 4.45 1.96 -4.02 3.92 4.77 -0.40 -4.66 117.00 123.02 2qf7 n LEU 1112Ca 0.08 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2qf7 n LEU 1112Cb 0.49 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 2qf7 n LEU 1112CO 0.53 0.48 -0.20 0.68 -1.33 0.00 0.00 177.39 177.55 2qf7 s VAL 1113N -2.46 0.14 0.20 4.08 -7.23 -1.24 -0.33 120.40 113.56 2qf7 s VAL 1113Ca -0.35 -1.58 0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2qf7 s VAL 1113Cb 0.11 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2qf7 s VAL 1113CO 0.54 -0.63 -0.23 -0.94 -0.31 0.00 0.00 175.10 173.53 2qf7 s SER 1114N -2.95 3.49 -0.07 4.85 1.04 0.39 -1.64 113.70 118.82 2qf7 s SER 1114Ca 0.13 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.71 2qf7 s SER 1114Cb 0.06 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.91 2qf7 s SER 1114CO -0.05 0.11 -0.16 -0.63 0.98 0.00 0.00 173.24 173.49 2qf7 s ILE 1115N -1.78 1.43 -0.18 -1.02 1.01 1.55 -1.22 121.20 120.98 2qf7 s ILE 1115Ca 0.22 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 2qf7 s ILE 1115Cb -0.08 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 2qf7 s ILE 1115CO 0.11 0.42 0.22 -1.83 0.00 0.00 0.00 174.94 173.86 2qf7 s GLU 1116N 0.53 4.22 0.00 2.79 4.04 0.95 -0.19 118.70 131.03 2qf7 s GLU 1116Ca -0.15 -0.05 0.00 0.00 0.04 0.00 0.00 54.97 54.81 2qf7 s GLU 1116Cb -0.16 -3.42 0.00 0.00 0.02 0.00 0.00 34.13 30.57 2qf7 s GLU 1116CO 0.05 0.27 0.00 0.00 -1.84 0.00 0.00 175.26 173.74 2qf7 n ALA 1117N 3.53 0.00 -2.81 -0.84 0.00 -1.26 -2.66 120.51 116.47 2qf7 n ALA 1117Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 2qf7 n ALA 1117Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 2qf7 n ALA 1117CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qf7 s GLU 1121N 0.00 3.57 -0.11 0.00 2.02 -1.26 -5.14 118.70 117.78 2qf7 s GLU 1121Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2qf7 s GLU 1121Cb 0.00 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.09 2qf7 s GLU 1121CO 0.00 0.60 -0.16 0.99 0.02 0.00 0.00 175.26 176.71 2qf7 s THR 1122N -0.53 1.56 0.00 3.63 2.01 0.73 -4.93 115.64 118.11 2qf7 s THR 1122Ca 0.11 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2qf7 s THR 1122Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2qf7 s THR 1122CO 0.02 0.45 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 2qf7 n ALA 1123N 4.21 -0.00 -2.57 7.40 0.00 -1.23 0.45 120.51 128.76 2qf7 n ALA 1123Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2qf7 n ALA 1123Cb 0.51 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 2qf7 n ALA 1123CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qf7 s ILE 1124N -2.14 5.25 0.10 0.00 -1.16 -0.65 -5.02 121.20 117.58 2qf7 s ILE 1124Ca 0.00 0.15 -0.04 0.00 -0.51 0.00 0.00 60.65 60.25 2qf7 s ILE 1124Cb 0.00 -3.66 -0.05 0.00 0.61 0.00 0.00 42.46 39.36 2qf7 s ILE 1124CO 0.00 0.11 0.33 -1.00 -2.81 0.00 0.00 174.94 171.57 2qf7 s HIS 1125N 1.87 3.50 0.11 3.50 3.76 -1.26 -1.28 115.29 125.49 2qf7 s HIS 1125Ca 0.09 0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 55.20 2qf7 s HIS 1125Cb -0.16 -1.96 -0.08 0.00 1.11 0.00 0.00 32.58 31.48 2qf7 s HIS 1125CO 0.11 0.50 1.46 0.00 -0.85 0.00 0.00 174.74 175.95 2qf7 s ALA 1126N -1.56 3.65 -0.78 -1.40 0.00 0.38 -4.90 121.76 117.15 2qf7 s ALA 1126Ca 0.37 1.17 0.25 0.00 0.00 0.00 0.00 51.96 53.76 2qf7 s ALA 1126Cb -0.13 -3.58 0.57 0.00 0.00 0.00 0.00 23.12 19.99 2qf7 s ALA 1126CO 0.24 -0.72 1.49 0.39 0.00 0.00 0.00 175.76 177.16 2qf7 n GLU 1127N 4.20 0.19 -4.00 0.00 1.02 -1.26 -4.46 120.64 116.33 2qf7 n GLU 1127Ca 0.13 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 2qf7 n GLU 1127Cb 0.41 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2qf7 n GLU 1127CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2qf7 s LYS 1128N -3.10 1.47 0.28 3.49 -2.85 -1.26 -4.97 119.74 112.80 2qf7 s LYS 1128Ca 0.09 -1.26 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 2qf7 s LYS 1128Cb 0.15 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 36.27 2qf7 s LYS 1128CO 0.67 -0.60 1.11 0.34 0.10 0.00 0.00 175.35 176.97 2qf7 s ASP 1129N -3.02 7.25 0.00 0.03 -1.08 -0.57 -3.30 116.67 115.97 2qf7 s ASP 1129Ca 0.23 2.28 0.00 0.00 -0.52 0.00 0.00 52.55 54.53 2qf7 s ASP 1129Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2qf7 s ASP 1129CO 0.08 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.22 2qf7 n GLY 1130N 1.23 -1.62 3.31 2.66 0.00 -1.26 -4.93 105.19 104.59 2qf7 n GLY 1130Ca -0.01 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 2qf7 n GLY 1130CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qf7 s THR 1131N -2.09 3.44 0.00 2.61 2.01 -1.26 0.08 115.64 120.43 2qf7 s THR 1131Ca 0.00 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 2qf7 s THR 1131Cb 0.00 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2qf7 s THR 1131CO 0.00 0.36 1.06 0.27 -0.69 0.00 0.00 174.62 175.61 2qf7 s ILE 1132N 1.47 4.59 -0.69 1.82 -5.25 -1.26 -4.56 121.20 117.32 2qf7 s ILE 1132Ca 0.05 1.86 0.14 0.00 -0.99 0.00 0.00 60.65 61.71 2qf7 s ILE 1132Cb -0.15 -4.19 0.43 0.00 2.95 0.00 0.00 42.46 41.50 2qf7 s ILE 1132CO -0.02 0.12 1.35 0.00 -1.79 0.00 0.00 174.94 174.60 2qf7 n ALA 1133N 4.09 2.56 -3.65 2.27 0.00 0.23 -4.10 120.51 121.91 2qf7 n ALA 1133Ca 0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 53.44 51.88 2qf7 n ALA 1133Cb 0.49 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 2qf7 n ALA 1133CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2qf7 s GLU 1134N -1.73 0.10 -0.30 0.00 4.04 -1.10 -4.93 118.70 114.78 2qf7 s GLU 1134Ca 0.33 0.11 -0.01 0.00 0.04 0.00 0.00 54.97 55.44 2qf7 s GLU 1134Cb 0.22 0.05 0.10 0.00 0.02 0.00 0.00 34.13 34.52 2qf7 s GLU 1134CO 0.14 -0.01 0.09 0.08 -1.84 0.00 0.00 175.26 173.72 2qf7 s VAL 1135N -0.06 0.95 -1.54 1.83 1.01 -1.26 -1.32 120.40 120.00 2qf7 s VAL 1135Ca 0.07 -1.39 0.27 0.00 0.00 0.00 0.00 61.98 60.93 2qf7 s VAL 1135Cb -0.05 -1.69 0.53 0.00 0.00 0.00 0.00 36.38 35.18 2qf7 s VAL 1135CO -0.14 -0.63 1.94 0.18 0.00 0.00 0.00 175.10 176.45 2qf7 n LEU 1136N 4.82 0.00 -4.25 3.92 4.32 -0.15 -4.58 117.00 121.09 2qf7 n LEU 1136Ca -0.02 0.23 -0.15 0.00 -0.02 0.00 0.00 56.01 56.04 2qf7 n LEU 1136Cb 0.42 -0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 41.89 2qf7 n LEU 1136CO 0.12 -0.03 -0.42 0.68 -1.22 0.00 0.00 177.39 176.52 2qf7 s VAL 1137N -2.46 1.24 0.00 4.08 -7.23 -1.20 -5.01 120.40 109.83 2qf7 s VAL 1137Ca 0.29 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2qf7 s VAL 1137Cb 0.18 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2qf7 s VAL 1137CO 0.39 -0.67 0.00 2.29 -0.31 0.00 0.00 175.10 176.81 2qf7 n LYS 1138N -0.05 0.00 -4.84 4.82 0.00 -1.26 -5.02 118.16 111.81 2qf7 n LYS 1138Ca -0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.94 2qf7 n LYS 1138Cb 0.60 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.48 2qf7 n LYS 1138CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qf7 s ALA 1139N 0.00 1.67 -0.63 0.58 0.00 -1.26 -4.81 121.76 117.30 2qf7 s ALA 1139Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2qf7 s ALA 1139Cb 0.00 -0.39 0.40 0.00 0.00 0.00 0.00 23.12 23.13 2qf7 s ALA 1139CO 0.00 0.40 1.62 0.41 0.00 0.00 0.00 175.76 178.18 2qf7 n GLY 1140N 2.32 5.82 3.79 0.00 0.00 -1.24 -4.38 105.19 111.49 2qf7 n GLY 1140Ca -0.16 -2.59 -0.39 0.00 0.00 0.00 0.00 46.02 42.89 2qf7 n GLY 1140CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf7 s ASP 1141N -2.29 7.10 0.22 1.61 1.01 -1.26 -4.75 116.67 118.31 2qf7 s ASP 1141Ca 0.52 1.30 -0.30 0.00 0.71 0.00 0.00 52.55 54.78 2qf7 s ASP 1141Cb 0.43 -2.39 -0.08 0.00 1.01 0.00 0.00 42.92 41.89 2qf7 s ASP 1141CO -0.25 0.22 1.05 0.00 0.21 0.00 0.00 175.17 176.39 2qf7 s GLN 1142N -0.86 4.68 0.10 8.23 -2.07 -1.26 -0.08 119.66 128.40 2qf7 s GLN 1142Ca 0.31 1.67 -0.01 0.00 -1.82 0.00 0.00 55.36 55.51 2qf7 s GLN 1142Cb -0.20 -3.26 -0.04 0.00 -1.09 0.00 0.00 33.01 28.42 2qf7 s GLN 1142CO 0.20 0.23 0.01 0.96 -1.32 0.00 0.00 175.29 175.37 2qf7 s ILE 1143N -0.73 0.23 0.25 3.63 -4.36 0.12 -4.95 121.20 115.38 2qf7 s ILE 1143Ca 0.46 -1.88 0.12 0.00 -0.26 0.00 0.00 60.65 59.09 2qf7 s ILE 1143Cb -0.29 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 2qf7 s ILE 1143CO 0.36 -0.71 -0.19 -1.81 0.24 0.00 0.00 174.94 172.82 2qf7 s ASP 1144N -3.00 3.64 0.26 4.36 1.01 -1.26 -1.47 116.67 120.21 2qf7 s ASP 1144Ca 0.16 -0.94 -0.28 0.00 0.71 0.00 0.00 52.55 52.20 2qf7 s ASP 1144Cb 0.07 -0.34 -0.15 0.00 1.01 0.00 0.00 42.92 43.51 2qf7 s ASP 1144CO -0.03 0.06 0.91 0.00 0.21 0.00 0.00 175.17 176.32 2qf7 n ALA 1145N -0.36 -0.91 0.00 5.23 0.00 -1.25 -1.65 120.51 121.57 2qf7 n ALA 1145Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2qf7 n ALA 1145Cb 0.59 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2qf7 n ALA 1145CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qf7 n LYS 1146N 0.87 0.00 -1.71 0.00 5.02 0.15 -4.90 118.16 117.59 2qf7 n LYS 1146Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 2qf7 n LYS 1146Cb 0.30 -0.89 -0.01 0.00 -0.02 0.00 0.00 35.03 34.41 2qf7 n LYS 1146CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qf7 n ASP 1147N 0.00 2.91 -4.64 4.39 8.00 -0.66 0.05 116.55 126.60 2qf7 n ASP 1147Ca 0.00 1.21 -0.43 0.00 0.71 0.00 0.00 54.79 56.28 2qf7 n ASP 1147Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 41.12 39.58 2qf7 n ASP 1147CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qf7 s LEU 1148N -1.10 3.99 -0.14 0.64 2.96 -0.15 -0.75 118.68 124.13 2qf7 s LEU 1148Ca 0.56 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.70 2qf7 s LEU 1148Cb -0.56 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.35 2qf7 s LEU 1148CO 0.62 -0.85 0.29 0.18 -1.32 0.00 0.00 176.35 175.26 2qf7 n LEU 1149N 6.85 2.25 -3.52 -0.68 4.77 0.26 -4.59 117.00 122.34 2qf7 n LEU 1149Ca 0.13 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2qf7 n LEU 1149Cb 0.46 -0.77 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2qf7 n LEU 1149CO 0.58 0.77 0.61 0.00 -1.33 0.00 0.00 177.39 178.02 2qf7 s ALA 1150N -2.55 -1.82 -0.07 -1.18 0.00 -1.21 -0.97 121.76 113.95 2qf7 s ALA 1150Ca -0.21 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2qf7 s ALA 1150Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2qf7 s ALA 1150CO 0.75 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.94 2qf7 s VAL 1151N -2.00 1.44 -2.00 0.00 1.01 -0.44 -1.01 120.40 117.40 2qf7 s VAL 1151Ca -0.02 -0.66 0.21 0.00 0.00 0.00 0.00 61.98 61.51 2qf7 s VAL 1151Cb -0.01 -1.28 0.59 0.00 0.00 0.00 0.00 36.38 35.69 2qf7 s VAL 1151CO -0.01 0.42 1.62 -1.22 0.00 0.00 0.00 175.10 175.92