#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 2.61 -0.02 1.61 0.04 -1.26 -4.90 135.00 133.08 2qf7 s PRO 2 Ca 0.00 1.22 -0.36 0.00 0.04 0.00 0.00 61.00 61.89 2qf7 s PRO 2 Cb 0.00 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 2qf7 s PRO 2 CO 0.00 -1.38 1.59 -0.89 0.04 0.00 0.00 177.00 176.37 2qf7 n ILE 3 N -2.99 0.18 0.00 0.56 5.41 -1.26 -4.89 119.36 116.38 2qf7 n ILE 3 Ca 0.09 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2qf7 n ILE 3 Cb 0.53 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 2qf7 n ILE 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2qf7 n SER 4 N 4.18 0.91 -3.47 4.38 3.41 -1.26 -4.92 113.62 116.86 2qf7 n SER 4 Ca 0.21 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 2qf7 n SER 4 Cb 0.22 0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.94 0.27 -0.19 4.33 2.20 -1.26 -1.53 119.74 122.63 2qf7 s LYS 5 Ca 0.00 0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 56.08 2qf7 s LYS 5 Cb 0.00 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 2qf7 s LYS 5 CO 0.00 -0.55 0.04 0.42 -0.36 0.00 0.00 175.35 174.90 2qf7 s ILE 6 N 2.48 4.53 -0.13 5.43 1.01 -0.18 -0.42 121.20 133.91 2qf7 s ILE 6 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 2qf7 s ILE 6 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2qf7 s ILE 6 CO -0.13 0.45 0.43 -0.22 0.00 0.00 0.00 174.94 175.46 2qf7 s LEU 7 N 0.55 4.26 -0.35 2.97 0.20 -0.30 -0.70 118.68 125.30 2qf7 s LEU 7 Ca 0.02 0.72 -0.16 0.00 0.69 0.00 0.00 54.13 55.40 2qf7 s LEU 7 Cb -0.13 -2.61 -0.01 0.00 -0.43 0.00 0.00 46.19 43.01 2qf7 s LEU 7 CO 0.01 0.02 0.39 -0.69 -0.29 0.00 0.00 176.35 175.79 2qf7 s VAL 8 N 0.63 5.14 -1.40 1.68 1.01 -0.63 -1.02 120.40 125.81 2qf7 s VAL 8 Ca 0.23 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 2qf7 s VAL 8 Cb -0.15 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.45 2qf7 s VAL 8 CO 0.08 -0.13 2.30 0.00 0.00 0.00 0.00 175.10 177.35 2qf7 n ALA 9 N 5.44 6.21 -3.00 5.51 0.00 -0.33 -4.13 120.51 130.20 2qf7 n ALA 9 Ca -0.08 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.35 2qf7 n ALA 9 Cb 0.49 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 3.80 0.00 -3.77 0.00 2.85 -1.26 -4.62 115.26 112.25 2qf7 n ASN 10 Ca 0.56 -0.67 -0.09 0.00 -0.11 0.00 0.00 54.58 54.27 2qf7 n ASN 10 Cb 0.31 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.30 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 -1.01 1.73 4.49 1.20 1.70 -1.26 -4.56 118.95 121.23 2qf7 s ARG 11 Ca 0.00 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 2qf7 s ARG 11 Cb 0.00 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2qf7 s ARG 11 CO 0.00 -0.75 0.00 0.45 -1.08 0.00 0.00 175.30 173.92 2qf7 n SER 12 N -0.61 0.00 -0.04 -2.89 2.88 -1.26 -2.82 113.62 108.88 2qf7 n SER 12 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2qf7 n SER 12 Cb 0.61 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.62 -0.08 -1.46 -0.00 -1.92 -2.13 114.58 109.60 2qf7 h GLU 13 Ca 0.00 -0.10 -0.14 0.00 -0.00 0.00 0.00 59.36 59.12 2qf7 h GLU 13 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.63 2qf7 h GLU 13 CO 0.00 0.56 -0.57 0.97 -0.00 0.00 0.00 179.01 179.97 2qf7 h ILE 14 N 0.61 1.37 -0.29 -1.06 6.09 -1.91 0.90 117.51 123.22 2qf7 h ILE 14 Ca 0.14 -1.90 -0.07 0.00 -1.37 0.00 0.00 64.86 61.67 2qf7 h ILE 14 Cb 0.21 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.43 2qf7 h ILE 14 CO -0.01 0.56 -0.08 0.00 -3.07 0.00 0.00 178.15 175.56 2qf7 h ALA 15 N 1.21 0.40 -0.63 0.18 0.00 -1.24 -1.48 119.26 117.71 2qf7 h ALA 15 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qf7 h ALA 15 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2qf7 h ALA 15 CO 0.09 0.23 0.40 0.82 0.00 0.00 0.00 179.25 180.80 2qf7 h ILE 16 N 0.33 1.17 -0.80 0.00 2.04 -1.21 0.80 117.51 119.84 2qf7 h ILE 16 Ca 0.07 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2qf7 h ILE 16 Cb 0.57 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2qf7 h ILE 16 CO 0.03 0.17 0.49 -0.09 0.00 0.00 0.00 178.15 178.75 2qf7 h ARG 17 N 0.85 0.88 -0.04 2.37 9.65 -0.67 -0.84 114.38 126.58 2qf7 h ARG 17 Ca 0.23 -0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 58.80 2qf7 h ARG 17 Cb -0.07 -0.20 0.02 0.00 -1.39 0.00 0.00 29.97 28.33 2qf7 h ARG 17 CO -0.05 0.58 -0.96 0.28 2.80 0.00 0.00 179.97 182.63 2qf7 h VAL 18 N 0.91 1.28 -0.90 0.20 2.07 -0.70 -2.92 116.25 116.19 2qf7 h VAL 18 Ca 0.34 -2.16 0.10 0.00 0.82 0.00 0.00 66.70 65.80 2qf7 h VAL 18 Cb 0.14 2.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 2qf7 h VAL 18 CO -0.16 0.67 0.58 -0.26 0.02 0.00 0.00 177.57 178.42 2qf7 h PHE 19 N 0.42 0.96 -0.01 1.57 0.04 -0.47 -0.99 116.94 118.46 2qf7 h PHE 19 Ca -0.11 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2qf7 h PHE 19 Cb 1.61 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 2qf7 h PHE 19 CO 0.10 0.44 0.00 0.00 -0.60 0.00 0.00 178.31 178.25 2qf7 h ARG 20 N 0.89 0.02 -0.44 1.51 3.08 -1.09 0.02 114.38 118.35 2qf7 h ARG 20 Ca 0.42 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.49 2qf7 h ARG 20 Cb 0.42 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2qf7 h ARG 20 CO -0.18 0.20 0.25 0.00 -1.07 0.00 0.00 179.97 179.17 2qf7 h ALA 21 N 0.81 0.55 -0.35 0.04 0.00 -1.29 -0.90 119.26 118.13 2qf7 h ALA 21 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qf7 h ALA 21 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qf7 h ALA 21 CO -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.30 2qf7 h ALA 22 N 1.20 0.45 -0.33 0.00 0.00 -1.05 -1.65 119.26 117.88 2qf7 h ALA 22 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qf7 h ALA 22 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2qf7 h ALA 22 CO -0.09 0.07 0.16 -0.97 0.00 0.00 0.00 179.25 178.42 2qf7 h ASN 23 N 0.41 0.44 -0.80 0.00 -0.73 -0.82 0.13 115.58 114.21 2qf7 h ASN 23 Ca 0.11 -0.13 0.14 0.00 1.87 0.00 0.00 56.30 58.29 2qf7 h ASN 23 Cb 0.21 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.64 2qf7 h ASN 23 CO -0.01 0.44 0.53 -0.33 -0.37 0.00 0.00 177.43 177.69 2qf7 h GLU 24 N 0.40 0.53 0.00 6.67 5.08 -1.00 0.15 114.58 126.41 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 0.13 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qf7 h GLU 24 CO -0.01 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 2qf7 n LEU 25 N -4.51 0.00 -0.47 1.33 4.77 -0.64 -4.90 117.00 112.59 2qf7 n LEU 25 Ca 0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2qf7 n LEU 25 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2qf7 n LEU 25 CO 0.32 0.00 -0.06 0.61 -1.33 0.00 0.00 177.39 176.93 2qf7 n GLY 26 N 0.84 0.79 3.83 -0.72 0.00 0.52 -5.03 105.19 105.43 2qf7 n GLY 26 Ca 0.21 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.22 5.46 0.53 -0.61 1.01 0.42 -5.00 121.20 120.79 2qf7 s ILE 27 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 2qf7 s ILE 27 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2qf7 s ILE 27 CO 0.00 0.56 1.21 -0.54 0.00 0.00 0.00 174.94 176.17 2qf7 s LYS 28 N -0.56 3.31 0.12 2.79 1.02 -0.58 -3.70 119.74 122.13 2qf7 s LYS 28 Ca 0.13 1.87 0.08 0.00 0.02 0.00 0.00 55.97 58.07 2qf7 s LYS 28 Cb -0.12 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2qf7 s LYS 28 CO 0.02 -0.94 -0.20 0.95 -0.92 0.00 0.00 175.35 174.26 2qf7 s THR 29 N -1.54 1.74 -0.07 2.17 -4.23 -1.26 -1.01 115.64 111.44 2qf7 s THR 29 Ca 0.71 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2qf7 s THR 29 Cb -0.31 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2qf7 s THR 29 CO 0.36 -0.12 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.55 2qf7 s VAL 30 N -1.35 0.88 0.12 2.29 1.01 0.12 -2.20 120.40 121.27 2qf7 s VAL 30 Ca 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2qf7 s VAL 30 Cb -0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2qf7 s VAL 30 CO 0.05 0.31 0.19 0.00 0.00 0.00 0.00 175.10 175.64 2qf7 s ALA 31 N 0.99 3.78 0.19 5.51 0.00 -0.16 -1.60 121.76 130.47 2qf7 s ALA 31 Ca -0.09 -1.05 0.11 0.00 0.00 0.00 0.00 51.96 50.93 2qf7 s ALA 31 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2qf7 s ALA 31 CO 0.00 0.62 -0.22 0.96 0.00 0.00 0.00 175.76 177.12 2qf7 s ILE 32 N -1.63 2.46 -0.15 0.00 -4.36 -1.26 -0.97 121.20 115.30 2qf7 s ILE 32 Ca 0.33 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.60 2qf7 s ILE 32 Cb -0.11 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.45 2qf7 s ILE 32 CO 0.26 -0.12 0.38 -1.66 0.24 0.00 0.00 174.94 174.03 2qf7 s TRP 33 N -1.70 -0.46 0.71 1.37 1.48 -0.87 -4.85 118.94 114.62 2qf7 s TRP 33 Ca 0.22 1.07 -0.11 0.00 -1.06 0.00 0.00 56.10 56.22 2qf7 s TRP 33 Cb -0.08 0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.42 2qf7 s TRP 33 CO 0.11 -0.24 1.07 0.00 -4.06 0.00 0.00 176.95 173.83 2qf7 s ALA 34 N 0.55 2.54 0.32 2.67 0.00 -1.26 -0.10 121.76 126.49 2qf7 s ALA 34 Ca -0.03 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2qf7 s ALA 34 Cb -0.04 -3.21 0.84 0.00 0.00 0.00 0.00 23.12 20.71 2qf7 s ALA 34 CO -0.03 -1.37 1.75 1.49 0.00 0.00 0.00 175.76 177.59 2qf7 h GLU 35 N -0.75 0.62 0.00 0.00 4.22 -1.94 0.15 114.58 116.87 2qf7 h GLU 35 Ca -0.44 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 58.93 2qf7 h GLU 35 Cb 1.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qf7 h GLU 35 CO 0.55 0.41 -0.14 0.93 -2.18 0.00 0.00 179.01 178.58 2qf7 h GLU 36 N 0.64 0.00 -0.82 1.92 3.07 -1.93 -1.51 114.58 115.95 2qf7 h GLU 36 Ca 0.62 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.33 2qf7 h GLU 36 Cb 1.12 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.94 2qf7 h GLU 36 CO -0.44 0.14 0.19 -0.25 -1.40 0.00 0.00 179.01 177.26 2qf7 n ASP 37 N -3.66 4.04 0.30 1.42 8.00 0.04 -4.61 116.55 122.08 2qf7 n ASP 37 Ca -0.02 -2.86 0.16 0.00 0.71 0.00 0.00 54.79 52.78 2qf7 n ASP 37 Cb 0.26 -0.68 0.94 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.98 0.00 -0.15 -1.24 2.10 -1.26 -1.64 116.57 116.35 2qf7 h LYS 38 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2qf7 h LYS 38 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 2qf7 h LYS 38 CO 0.53 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.26 2qf7 n LEU 39 N -3.78 2.54 -4.72 7.07 4.77 -1.26 -5.02 117.00 116.60 2qf7 n LEU 39 Ca -0.03 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.23 2qf7 n LEU 39 Cb 0.09 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2qf7 n LEU 39 CO 0.27 0.53 1.15 0.00 -1.33 0.00 0.00 177.39 178.00 2qf7 s ALA 40 N -1.16 3.69 0.45 -1.18 0.00 -0.62 -4.92 121.76 118.02 2qf7 s ALA 40 Ca 0.21 1.29 0.23 0.00 0.00 0.00 0.00 51.96 53.69 2qf7 s ALA 40 Cb 0.13 -3.58 1.33 0.00 0.00 0.00 0.00 23.12 21.00 2qf7 s ALA 40 CO 0.19 -0.72 2.07 -0.07 0.00 0.00 0.00 175.76 177.23 2qf7 h LEU 41 N 6.36 0.00 -1.16 0.00 4.07 -1.85 -2.71 115.31 120.02 2qf7 h LEU 41 Ca -0.43 0.00 0.11 0.00 0.08 0.00 0.00 57.88 57.63 2qf7 h LEU 41 Cb 1.21 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.88 2qf7 h LEU 41 CO 0.87 0.13 0.59 1.12 -1.08 0.00 0.00 178.44 180.07 2qf7 h HIS 42 N 0.00 0.99 0.00 1.13 2.07 -1.86 -1.75 115.15 115.74 2qf7 h HIS 42 Ca -0.00 0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 2qf7 h HIS 42 Cb 0.29 -0.32 -0.00 0.00 2.57 0.00 0.00 27.41 29.94 2qf7 h HIS 42 CO 0.00 0.44 -0.12 0.07 -3.07 0.00 0.00 177.93 175.25 2qf7 h ARG 43 N 0.90 0.00 -0.00 5.12 0.11 -1.81 -1.93 114.38 116.77 2qf7 h ARG 43 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 2qf7 h ARG 43 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2qf7 h ARG 43 CO -0.20 0.12 -0.40 1.19 0.10 0.00 0.00 179.97 180.78 2qf7 n PHE 44 N -3.63 0.00 0.57 4.08 3.72 -0.69 -3.77 117.46 117.74 2qf7 n PHE 44 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2qf7 n PHE 44 Cb 0.24 -0.17 0.06 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.03 0.29 -2.44 -1.08 5.02 -0.73 -4.91 118.16 113.27 2qf7 n LYS 45 Ca 0.09 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 2qf7 n LYS 45 Cb 0.35 -1.62 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 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 -3.19 3.36 0.34 7.82 0.00 -1.18 -4.97 121.76 123.94 2qf7 s ALA 46 Ca 0.04 -0.81 0.14 0.00 0.00 0.00 0.00 51.96 51.34 2qf7 s ALA 46 Cb 0.14 -2.52 0.71 0.00 0.00 0.00 0.00 23.12 21.45 2qf7 s ALA 46 CO 0.78 -0.83 1.80 -0.44 0.00 0.00 0.00 175.76 177.07 2qf7 h ASP 47 N -0.17 0.00 -5.13 0.00 3.32 -1.78 -3.45 116.42 109.21 2qf7 h ASP 47 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 2qf7 h ASP 47 Cb 1.27 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.68 2qf7 h ASP 47 CO 0.60 0.39 -0.24 -1.83 -1.72 0.00 0.00 179.24 176.44 2qf7 s GLU 48 N -4.05 0.97 -0.00 3.56 -1.05 -1.11 -5.02 118.70 112.00 2qf7 s GLU 48 Ca -0.02 -0.87 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 2qf7 s GLU 48 Cb 0.14 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.24 2qf7 s GLU 48 CO 0.72 -0.35 0.22 -1.54 0.95 0.00 0.00 175.26 175.26 2qf7 s SER 49 N -2.84 -0.08 -0.00 0.83 1.04 -1.26 -0.99 113.70 110.40 2qf7 s SER 49 Ca 0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2qf7 s SER 49 Cb 0.03 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 2qf7 s SER 49 CO -0.11 -0.41 -0.01 -0.31 0.98 0.00 0.00 173.24 173.38 2qf7 s TYR 50 N -1.40 0.11 0.27 5.02 2.02 -0.14 -4.93 117.35 118.29 2qf7 s TYR 50 Ca -0.14 -0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 2qf7 s TYR 50 Cb -0.06 -0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.33 2qf7 s TYR 50 CO 0.03 -0.00 1.26 -1.14 -1.57 0.00 0.00 175.55 174.12 2qf7 s GLN 51 N -0.01 4.43 0.08 -0.62 0.74 -1.26 -2.06 119.66 120.97 2qf7 s GLN 51 Ca 0.00 2.06 0.07 0.00 0.05 0.00 0.00 55.36 57.54 2qf7 s GLN 51 Cb -0.01 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2qf7 s GLN 51 CO -0.00 -0.12 -0.12 0.14 -0.55 0.00 0.00 175.29 174.64 2qf7 s VAL 52 N -0.67 3.27 0.00 1.34 -7.23 0.86 -4.84 120.40 113.14 2qf7 s VAL 52 Ca 0.51 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2qf7 s VAL 52 Cb -0.37 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2qf7 s VAL 52 CO 0.45 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 2qf7 n GLY 53 N 0.94 0.40 2.99 2.32 0.00 -1.26 -4.18 105.19 106.40 2qf7 n GLY 53 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 2qf7 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qf7 s ARG 54 N -0.91 0.59 0.00 1.61 3.52 -1.26 -0.57 118.95 121.93 2qf7 s ARG 54 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 2qf7 s ARG 54 Cb 0.00 -0.57 0.00 0.00 -1.56 0.00 0.00 34.95 32.82 2qf7 s ARG 54 CO 0.00 0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.05 2qf7 n GLY 55 N 2.91 2.33 0.54 8.12 0.00 -1.26 -4.85 105.19 112.97 2qf7 n GLY 55 Ca -0.13 -1.75 0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.44 1.61 0.11 -2.00 -1.03 132.00 130.25 2qf7 h PRO 56 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qf7 h PRO 56 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qf7 h PRO 56 CO 0.00 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.40 2qf7 n HIS 57 N -3.39 0.21 -0.15 0.65 1.44 -1.26 -5.10 115.22 107.62 2qf7 n HIS 57 Ca 0.24 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 2qf7 n HIS 57 Cb 1.48 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 31.53 2qf7 n HIS 57 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 2qf7 n LEU 58 N -0.07 0.00 -4.39 2.39 -0.00 -0.39 -5.13 117.00 109.41 2qf7 n LEU 58 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.73 2qf7 n LEU 58 Cb 0.21 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.82 2qf7 n LEU 58 CO 0.03 0.00 -0.08 -2.11 -0.00 0.00 0.00 177.39 175.23 2qf7 n ARG 60 N 0.00 -1.43 -2.25 1.47 -4.01 -1.26 -4.93 116.66 104.25 2qf7 n ARG 60 Ca 0.00 -0.39 -0.42 0.00 -1.04 0.00 0.00 57.85 56.00 2qf7 n ARG 60 Cb 0.00 -1.91 -0.03 0.00 -3.04 0.00 0.00 32.46 27.48 2qf7 n ARG 60 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2qf7 s ASP 61 N -2.08 6.90 0.49 2.89 1.01 -1.26 -4.77 116.67 119.84 2qf7 s ASP 61 Ca 0.60 2.21 -0.18 0.00 0.71 0.00 0.00 52.55 55.89 2qf7 s ASP 61 Cb -0.18 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.08 2qf7 s ASP 61 CO 0.66 -0.61 0.99 -0.76 0.21 0.00 0.00 175.17 175.65 2qf7 s LEU 62 N 1.22 3.74 1.19 1.23 1.43 0.26 -5.04 118.68 122.72 2qf7 s LEU 62 Ca 0.63 1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 2qf7 s LEU 62 Cb -0.34 -4.53 0.29 0.00 0.03 0.00 0.00 46.19 41.64 2qf7 s LEU 62 CO 0.29 -0.58 1.03 -0.83 0.23 0.00 0.00 176.35 176.49 2qf7 s GLY 63 N -2.63 1.52 0.24 -3.19 0.00 -1.26 -4.63 107.32 97.36 2qf7 s GLY 63 Ca 0.61 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.85 2qf7 s GLY 63 CO 0.24 0.36 1.77 -0.56 0.00 0.00 0.00 173.10 174.91 2qf7 h PRO 64 N -2.65 0.58 0.05 2.90 0.13 -1.96 -1.22 132.00 129.83 2qf7 h PRO 64 Ca -0.56 -0.04 -0.36 0.00 -0.87 0.00 0.00 66.00 64.18 2qf7 h PRO 64 Cb 1.33 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2qf7 h PRO 64 CO 0.47 0.39 -2.09 -0.89 -0.23 0.00 0.00 178.00 175.64 2qf7 n ILE 65 N -4.87 1.63 -0.33 -3.56 5.41 -1.26 -4.08 119.36 112.31 2qf7 n ILE 65 Ca 0.13 -0.69 0.13 0.00 1.00 0.00 0.00 62.75 63.31 2qf7 n ILE 65 Cb 0.32 -1.35 0.32 0.00 -0.71 0.00 0.00 39.64 38.21 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 0.03 0.57 -0.81 0.38 4.81 -1.90 -1.52 114.58 116.14 2qf7 h GLU 66 Ca -0.44 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2qf7 h GLU 66 Cb 2.03 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 31.22 2qf7 h GLU 66 CO 0.04 0.38 0.53 0.77 -0.73 0.00 0.00 179.01 180.00 2qf7 h SER 67 N 0.59 0.72 1.86 1.04 0.02 -1.36 -1.35 113.55 115.06 2qf7 h SER 67 Ca 0.57 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.52 2qf7 h SER 67 Cb 0.99 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2qf7 h SER 67 CO -0.44 0.44 -0.14 1.88 -1.14 0.00 0.00 176.83 177.42 2qf7 h TYR 68 N 0.80 0.00 -0.08 3.45 0.05 -1.48 -3.26 116.97 116.45 2qf7 h TYR 68 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 2qf7 h TYR 68 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2qf7 h TYR 68 CO -0.00 0.08 0.00 1.28 -1.05 0.00 0.00 178.16 178.47 2qf7 n LEU 69 N -3.09 1.64 -4.54 3.88 4.77 -0.54 -4.73 117.00 114.39 2qf7 n LEU 69 Ca 0.03 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 2qf7 n LEU 69 Cb 0.56 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2qf7 n LEU 69 CO 0.35 0.30 0.93 -0.55 -1.33 0.00 0.00 177.39 177.09 2qf7 s SER 70 N -1.82 6.33 0.21 -1.43 0.15 -1.00 -4.88 113.70 111.26 2qf7 s SER 70 Ca 0.36 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.63 2qf7 s SER 70 Cb 0.20 -2.49 0.25 0.00 -1.71 0.00 0.00 66.02 62.26 2qf7 s SER 70 CO 0.31 -1.43 1.82 0.40 1.20 0.00 0.00 173.24 175.54 2qf7 h ILE 71 N 6.06 1.01 -0.80 6.45 2.04 -1.92 -2.10 117.51 128.25 2qf7 h ILE 71 Ca -0.26 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.37 2qf7 h ILE 71 Cb 1.06 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2qf7 h ILE 71 CO 1.16 0.14 0.50 0.44 0.00 0.00 0.00 178.15 180.40 2qf7 h ASP 72 N 0.78 0.82 -0.46 1.72 3.32 -1.99 -1.35 116.42 119.26 2qf7 h ASP 72 Ca 0.31 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 2qf7 h ASP 72 Cb 0.15 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2qf7 h ASP 72 CO -0.16 0.55 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.53 2qf7 h GLU 73 N 0.96 0.84 -0.23 3.56 4.39 -1.78 -1.48 114.58 120.85 2qf7 h GLU 73 Ca 0.33 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2qf7 h GLU 73 Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qf7 h GLU 73 CO -0.13 0.92 0.10 0.28 -1.16 0.00 0.00 179.01 179.01 2qf7 h VAL 74 N 0.69 1.16 -0.45 3.13 2.07 -1.06 -1.80 116.25 119.99 2qf7 h VAL 74 Ca 0.12 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2qf7 h VAL 74 Cb 0.57 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2qf7 h VAL 74 CO 0.03 0.16 0.18 0.40 0.02 0.00 0.00 177.57 178.36 2qf7 h ILE 75 N 0.23 1.20 -0.52 4.57 1.08 -1.27 -0.89 117.51 121.90 2qf7 h ILE 75 Ca 0.08 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 64.02 2qf7 h ILE 75 Cb 0.16 0.79 -0.10 0.00 -3.07 0.00 0.00 36.82 34.59 2qf7 h ILE 75 CO -0.01 0.23 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.38 2qf7 h ARG 76 N 0.58 -0.09 -0.25 2.37 2.43 -1.12 -0.25 114.38 118.05 2qf7 h ARG 76 Ca 0.15 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2qf7 h ARG 76 Cb 0.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2qf7 h ARG 76 CO -0.01 -0.06 -0.42 0.28 -1.51 0.00 0.00 179.97 178.24 2qf7 h VAL 77 N -0.09 1.30 -0.49 0.20 2.07 -1.03 -0.92 116.25 117.29 2qf7 h VAL 77 Ca 0.24 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 66.20 2qf7 h VAL 77 Cb 0.47 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2qf7 h VAL 77 CO -0.59 0.51 0.24 0.00 0.02 0.00 0.00 177.57 177.75 2qf7 h ALA 78 N 1.02 0.62 0.12 1.67 0.00 -0.83 0.51 119.26 122.38 2qf7 h ALA 78 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qf7 h ALA 78 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2qf7 h ALA 78 CO 0.09 -0.11 -0.06 0.87 0.00 0.00 0.00 179.25 180.03 2qf7 h LYS 79 N 0.47 -0.16 -0.48 0.00 1.57 -0.84 -1.00 116.57 116.14 2qf7 h LYS 79 Ca 0.22 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2qf7 h LYS 79 Cb 0.14 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.39 2qf7 h LYS 79 CO -0.16 0.16 -0.32 1.25 -0.57 0.00 0.00 179.45 179.81 2qf7 h LEU 80 N -0.48 -1.09 -0.33 2.94 5.85 -1.13 -2.64 115.31 118.43 2qf7 h LEU 80 Ca -0.02 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2qf7 h LEU 80 Cb 0.39 0.52 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2qf7 h LEU 80 CO 0.03 -0.31 0.00 0.77 -0.34 0.00 0.00 178.44 178.59 2qf7 h SER 81 N -0.21 0.00 -0.69 1.25 4.64 -0.90 -3.47 113.55 114.18 2qf7 h SER 81 Ca 0.20 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 2qf7 h SER 81 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2qf7 h SER 81 CO -0.59 0.00 -0.12 0.61 -0.87 0.00 0.00 176.83 175.86 2qf7 n GLY 82 N 0.78 0.19 3.75 -0.77 0.00 -0.70 -5.03 105.19 103.41 2qf7 n GLY 82 Ca 0.04 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2qf7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 83 N -2.25 3.51 -1.87 4.61 0.00 -0.46 -4.85 121.76 120.45 2qf7 s ALA 83 Ca 0.00 1.15 0.18 0.00 0.00 0.00 0.00 51.96 53.29 2qf7 s ALA 83 Cb -0.00 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.71 2qf7 s ALA 83 CO 0.00 -0.54 0.97 -0.40 0.00 0.00 0.00 175.76 175.80 2qf7 n ASP 84 N 1.80 2.04 -3.83 0.00 5.68 0.44 -4.81 116.55 117.87 2qf7 n ASP 84 Ca 0.03 -1.52 -0.11 0.00 -0.50 0.00 0.00 54.79 52.69 2qf7 n ASP 84 Cb 0.42 0.28 -0.08 0.00 -1.14 0.00 0.00 41.12 40.60 2qf7 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qf7 s ALA 85 N -1.81 -0.42 -0.08 2.12 0.00 -1.07 -1.59 121.76 118.90 2qf7 s ALA 85 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2qf7 s ALA 85 Cb 0.14 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.54 2qf7 s ALA 85 CO 0.35 -0.36 -0.17 0.42 0.00 0.00 0.00 175.76 176.01 2qf7 s ILE 86 N -2.45 1.49 -0.27 0.00 1.01 0.15 -1.15 121.20 119.99 2qf7 s ILE 86 Ca -0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 2qf7 s ILE 86 Cb -0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2qf7 s ILE 86 CO -0.03 0.43 0.13 -2.28 0.00 0.00 0.00 174.94 173.19 2qf7 s HIS 87 N 0.58 3.15 -2.11 3.97 2.46 -0.19 -0.75 115.29 122.40 2qf7 s HIS 87 Ca -0.15 -0.26 0.30 0.00 0.47 0.00 0.00 55.06 55.41 2qf7 s HIS 87 Cb -0.16 -2.31 1.63 0.00 -0.13 0.00 0.00 32.58 31.60 2qf7 s HIS 87 CO 0.05 -0.31 2.07 -0.35 -2.47 0.00 0.00 174.74 173.73 2qf7 n PRO 88 N 4.98 1.16 0.00 2.88 -0.04 -1.26 -1.19 135.00 141.53 2qf7 n PRO 88 Ca -0.15 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2qf7 n PRO 88 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.02 2.89 3.40 0.55 0.00 -1.26 -4.37 105.19 107.43 2qf7 n GLY 89 Ca 0.22 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 1.99 0.00 1.61 -0.85 -1.26 -4.34 117.35 114.50 2qf7 s TYR 90 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2qf7 s TYR 90 Cb 0.00 -0.92 0.00 0.00 0.38 0.00 0.00 41.96 41.42 2qf7 s TYR 90 CO 0.00 0.50 0.00 0.41 -1.52 0.00 0.00 175.55 174.94 2qf7 n GLY 91 N -0.28 -0.11 7.00 5.49 0.00 -1.26 -4.84 105.19 111.18 2qf7 n GLY 91 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.16 0.99 4.77 -1.26 -1.09 117.00 119.25 2qf7 n LEU 92 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2qf7 n LEU 92 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 2qf7 n LEU 92 CO 0.00 0.00 0.73 0.18 -1.33 0.00 0.00 177.39 176.97 2qf7 n LEU 93 N 0.00 3.37 0.18 2.23 4.77 -1.26 -4.56 117.00 121.72 2qf7 n LEU 93 Ca 0.00 -1.69 0.13 0.00 -0.03 0.00 0.00 56.01 54.43 2qf7 n LEU 93 Cb 0.00 -0.42 0.59 0.00 -2.33 0.00 0.00 43.42 41.26 2qf7 n LEU 93 CO 0.00 0.81 0.89 0.77 -1.33 0.00 0.00 177.39 178.53 2qf7 h SER 94 N 3.57 0.00 -0.29 -1.43 4.64 -1.31 -2.67 113.55 116.06 2qf7 h SER 94 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2qf7 h SER 94 Cb 0.87 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.72 2qf7 h SER 94 CO 0.02 0.00 -0.75 -1.84 -0.87 0.00 0.00 176.83 173.40 2qf7 n GLU 95 N -2.44 2.05 -3.41 4.77 0.28 -1.26 -4.76 120.64 115.88 2qf7 n GLU 95 Ca 0.01 -3.43 -0.42 0.00 -0.16 0.00 0.00 57.16 53.15 2qf7 n GLU 95 Cb 0.19 -1.61 -0.10 0.00 1.43 0.00 0.00 31.44 31.35 2qf7 n GLU 95 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2qf7 s SER 96 N -3.25 6.14 0.36 -1.84 0.15 -1.01 -4.95 113.70 109.31 2qf7 s SER 96 Ca 0.41 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 56.46 2qf7 s SER 96 Cb 0.38 -2.19 0.69 0.00 -1.71 0.00 0.00 66.02 63.20 2qf7 s SER 96 CO -0.04 -0.46 1.87 1.55 1.20 0.00 0.00 173.24 177.36 2qf7 h PRO 97 N 8.63 0.30 -0.89 5.44 0.13 -1.90 -2.37 132.00 141.34 2qf7 h PRO 97 Ca -0.28 -0.08 0.11 0.00 -0.87 0.00 0.00 66.00 64.88 2qf7 h PRO 97 Cb 1.12 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 2qf7 h PRO 97 CO 0.74 0.45 0.52 1.49 -0.23 0.00 0.00 178.00 180.97 2qf7 h GLU 98 N 0.28 0.82 -0.13 0.86 4.81 -1.95 0.82 114.58 120.08 2qf7 h GLU 98 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2qf7 h GLU 98 Cb 0.44 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2qf7 h GLU 98 CO 0.03 0.54 -0.02 0.35 -0.73 0.00 0.00 179.01 179.18 2qf7 h PHE 99 N 0.84 0.27 -0.61 0.92 3.57 -1.78 -0.78 116.94 119.36 2qf7 h PHE 99 Ca 0.44 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.97 2qf7 h PHE 99 Cb 0.43 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 2qf7 h PHE 99 CO -0.05 0.51 0.25 0.28 -2.23 0.00 0.00 178.31 177.07 2qf7 h VAL 100 N -0.05 0.80 -0.19 1.41 2.07 -1.08 -1.26 116.25 117.94 2qf7 h VAL 100 Ca 0.03 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2qf7 h VAL 100 Cb 0.41 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2qf7 h VAL 100 CO 0.01 0.08 0.02 0.44 0.02 0.00 0.00 177.57 178.14 2qf7 h ASP 101 N 0.44 -0.03 -1.01 0.57 3.32 -0.65 0.26 116.42 119.33 2qf7 h ASP 101 Ca 0.31 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2qf7 h ASP 101 Cb 0.36 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 2qf7 h ASP 101 CO -0.29 0.01 0.66 0.00 -1.72 0.00 0.00 179.24 177.90 2qf7 h ALA 102 N 1.15 1.34 -0.14 3.45 0.00 -0.70 -1.21 119.26 123.16 2qf7 h ALA 102 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qf7 h ALA 102 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2qf7 h ALA 102 CO -0.13 0.55 0.07 0.00 0.00 0.00 0.00 179.25 179.74 2qf7 h ASN 104 N 0.16 0.55 -0.37 0.00 2.35 -0.49 0.08 115.58 117.87 2qf7 h ASN 104 Ca 0.05 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2qf7 h ASN 104 Cb -0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2qf7 h ASN 104 CO -0.03 0.35 -0.01 0.50 -1.65 0.00 0.00 177.43 176.59 2qf7 h LYS 105 N 0.69 0.75 -0.00 0.81 3.64 -0.95 -2.40 116.57 119.10 2qf7 h LYS 105 Ca 0.31 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2qf7 h LYS 105 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2qf7 h LYS 105 CO -0.20 0.77 -0.04 0.00 -2.27 0.00 0.00 179.45 177.71 2qf7 n ALA 106 N -2.48 2.64 -2.11 5.00 0.00 -0.74 -4.93 120.51 117.90 2qf7 n ALA 106 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 2qf7 n ALA 106 Cb 0.30 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.23 0.11 3.44 0.00 0.00 -0.83 -5.02 105.19 104.11 2qf7 n GLY 107 Ca 0.16 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 3.31 0.07 -0.61 1.01 -0.04 -4.97 121.20 117.63 2qf7 s ILE 108 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 2qf7 s ILE 108 Cb 0.00 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2qf7 s ILE 108 CO 0.00 0.54 1.32 -0.63 0.00 0.00 0.00 174.94 176.17 2qf7 s ILE 109 N 0.05 3.64 -0.27 2.92 1.01 -0.62 -3.97 121.20 123.96 2qf7 s ILE 109 Ca -0.03 1.15 -0.20 0.00 0.00 0.00 0.00 60.65 61.57 2qf7 s ILE 109 Cb -0.14 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2qf7 s ILE 109 CO 0.04 0.07 0.60 0.12 0.00 0.00 0.00 174.94 175.77 2qf7 s PHE 110 N 1.34 3.26 -1.00 3.97 5.36 -1.26 -0.67 117.98 128.98 2qf7 s PHE 110 Ca 0.62 0.72 -0.22 0.00 -0.96 0.00 0.00 56.93 57.09 2qf7 s PHE 110 Cb -0.33 -2.83 0.07 0.00 -0.34 0.00 0.00 43.02 39.58 2qf7 s PHE 110 CO 0.29 -0.34 1.38 0.42 -1.46 0.00 0.00 175.22 175.51 2qf7 s ILE 111 N 2.47 4.11 -4.37 3.12 1.01 0.07 -4.78 121.20 122.83 2qf7 s ILE 111 Ca 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2qf7 s ILE 111 Cb -0.15 -5.00 0.00 0.00 0.01 0.00 0.00 42.46 37.32 2qf7 s ILE 111 CO 0.09 -1.84 0.00 0.61 0.00 0.00 0.00 174.94 173.80 2qf7 n GLY 112 N 6.54 -1.50 3.68 6.18 0.00 -1.26 -4.46 105.19 114.37 2qf7 n GLY 112 Ca 0.31 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.77 0.87 0.77 1.61 0.04 -0.54 -4.71 135.00 131.27 2qf7 s PRO 113 Ca 0.00 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 2qf7 s PRO 113 Cb 0.00 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.84 2qf7 s PRO 113 CO 0.00 -2.54 1.09 0.15 0.04 0.00 0.00 177.00 175.75 2qf7 s LYS 114 N -4.82 2.26 0.29 4.56 1.02 -1.26 -4.88 119.74 116.90 2qf7 s LYS 114 Ca 0.65 1.17 0.02 0.00 0.02 0.00 0.00 55.97 57.83 2qf7 s LYS 114 Cb -0.20 -1.90 0.60 0.00 -0.52 0.00 0.00 37.83 35.81 2qf7 s LYS 114 CO 0.58 -1.64 1.82 0.00 -0.92 0.00 0.00 175.35 175.19 2qf7 h ALA 115 N -1.12 1.56 0.00 5.17 0.00 -1.93 -2.36 119.26 120.58 2qf7 h ALA 115 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qf7 h ALA 115 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qf7 h ALA 115 CO 0.51 0.16 -0.08 -0.44 0.00 0.00 0.00 179.25 179.40 2qf7 h ASP 116 N 0.94 0.00 -0.07 0.00 3.32 -1.96 -1.79 116.42 116.86 2qf7 h ASP 116 Ca 0.52 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 2qf7 h ASP 116 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2qf7 h ASP 116 CO -0.29 0.01 0.01 0.74 -1.72 0.00 0.00 179.24 177.98 2qf7 h THR 117 N 0.00 1.23 -0.50 0.35 2.02 -1.76 -2.86 112.91 111.39 2qf7 h THR 117 Ca 0.00 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.48 2qf7 h THR 117 Cb 0.88 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2qf7 h THR 117 CO 0.00 0.20 0.32 0.24 0.37 0.00 0.00 175.52 176.65 2qf7 h MET 118 N -0.13 0.64 -0.38 6.66 2.86 -1.23 -2.25 114.93 121.09 2qf7 h MET 118 Ca 0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2qf7 h MET 118 Cb 0.31 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2qf7 h MET 118 CO 0.00 0.42 -0.18 0.00 1.06 0.00 0.00 176.91 178.21 2qf7 h ARG 119 N 0.65 0.71 -0.21 1.72 3.08 -1.42 0.34 114.38 119.26 2qf7 h ARG 119 Ca 0.19 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2qf7 h ARG 119 Cb -0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2qf7 h ARG 119 CO -0.05 0.84 -0.30 0.37 -1.07 0.00 0.00 179.97 179.76 2qf7 h GLN 120 N 0.63 0.41 0.00 0.04 4.15 -1.39 -3.14 115.11 115.80 2qf7 h GLN 120 Ca 0.10 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2qf7 h GLN 120 Cb 0.66 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 2qf7 h GLN 120 CO 0.05 0.67 -1.23 1.28 -1.93 0.00 0.00 178.83 177.66 2qf7 n LEU 121 N -4.10 0.66 0.01 -2.39 4.77 -0.86 -3.39 117.00 111.71 2qf7 n LEU 121 Ca -0.01 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2qf7 n LEU 121 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2qf7 n LEU 121 CO 0.42 -0.14 0.37 1.23 -1.33 0.00 0.00 177.39 177.94 2qf7 h GLY 122 N 3.99 0.64 -6.77 -0.72 0.00 -0.28 -3.41 103.07 96.52 2qf7 h GLY 122 Ca -0.01 -0.85 -0.56 0.00 0.00 0.00 0.00 47.33 45.92 2qf7 h GLY 122 CO 0.00 0.76 0.95 0.21 0.00 0.00 0.00 176.54 178.45 2qf7 s ASN 123 N -6.99 6.58 0.00 0.19 2.47 -1.19 -4.91 114.94 111.08 2qf7 s ASN 123 Ca -0.08 0.42 0.23 0.00 0.42 0.00 0.00 52.86 53.86 2qf7 s ASN 123 Cb 0.10 -2.55 1.32 0.00 -1.45 0.00 0.00 41.25 38.67 2qf7 s ASN 123 CO 0.86 -1.31 1.74 2.29 -3.72 0.00 0.00 177.10 176.96 2qf7 n LYS 124 N 7.97 0.63 0.00 0.43 0.00 -1.26 -0.64 118.16 125.29 2qf7 n LYS 124 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2qf7 n LYS 124 Cb 0.49 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 2qf7 n LYS 124 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2qf7 n VAL 125 N -1.06 0.00 0.00 0.58 3.14 -1.26 -3.13 118.33 116.60 2qf7 n VAL 125 Ca 0.16 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2qf7 n VAL 125 Cb 0.10 1.01 0.04 0.00 -1.06 0.00 0.00 33.84 33.93 2qf7 n VAL 125 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qf7 h ALA 126 N 0.00 0.67 -0.09 1.55 0.00 -1.14 -2.49 119.26 117.76 2qf7 h ALA 126 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 2qf7 h ALA 126 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qf7 h ALA 126 CO 0.00 0.69 -0.69 0.00 0.00 0.00 0.00 179.25 179.26 2qf7 h ALA 127 N 0.94 0.65 0.03 0.00 0.00 -1.38 -0.99 119.26 118.51 2qf7 h ALA 127 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2qf7 h ALA 127 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qf7 h ALA 127 CO 0.11 0.75 -0.02 -0.09 0.00 0.00 0.00 179.25 180.00 2qf7 h ARG 128 N 0.28 -0.04 -0.69 0.00 2.43 -1.60 -0.17 114.38 114.58 2qf7 h ARG 128 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qf7 h ARG 128 Cb 1.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 2qf7 h ARG 128 CO 0.12 0.18 0.43 -0.91 -1.51 0.00 0.00 179.97 178.29 2qf7 h ASN 129 N -0.26 0.81 -0.32 -3.80 2.35 -1.37 -0.25 115.58 112.74 2qf7 h ASN 129 Ca -0.00 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2qf7 h ASN 129 Cb 0.24 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2qf7 h ASN 129 CO 0.01 0.61 -0.01 0.25 -1.65 0.00 0.00 177.43 176.64 2qf7 h LEU 130 N 0.94 0.55 -0.61 1.61 5.85 -1.03 -1.23 115.31 121.40 2qf7 h LEU 130 Ca 0.25 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2qf7 h LEU 130 Cb -0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2qf7 h LEU 130 CO -0.05 0.73 0.39 0.00 -0.34 0.00 0.00 178.44 179.17 2qf7 h ALA 131 N 0.84 0.79 -0.68 1.25 0.00 -0.29 -2.69 119.26 118.48 2qf7 h ALA 131 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qf7 h ALA 131 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2qf7 h ALA 131 CO 0.02 0.15 0.41 0.82 0.00 0.00 0.00 179.25 180.65 2qf7 h ILE 132 N 0.77 1.20 0.00 0.00 2.04 -0.97 -1.37 117.51 119.18 2qf7 h ILE 132 Ca 0.24 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2qf7 h ILE 132 Cb -0.02 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2qf7 h ILE 132 CO -0.08 0.20 -0.04 0.77 0.00 0.00 0.00 178.15 179.00 2qf7 h SER 133 N 0.93 0.00 -0.32 1.72 4.64 -0.89 -2.53 113.55 117.10 2qf7 h SER 133 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2qf7 h SER 133 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2qf7 h SER 133 CO -0.05 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 2qf7 n VAL 134 N -3.28 1.74 -2.41 0.95 0.24 -0.98 -4.99 118.33 109.60 2qf7 n VAL 134 Ca -0.01 -1.47 -0.06 0.00 -2.04 0.00 0.00 64.34 60.75 2qf7 n VAL 134 Cb 0.20 0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.66 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 0.02 0.31 3.45 7.63 0.00 -0.95 -4.98 105.19 110.67 2qf7 n GLY 135 Ca 0.18 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.64 3.84 0.52 1.61 1.01 -0.55 -5.03 120.40 119.15 2qf7 s VAL 136 Ca 0.07 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2qf7 s VAL 136 Cb -0.03 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 2qf7 s VAL 136 CO 0.09 0.46 1.30 -2.16 0.00 0.00 0.00 175.10 174.78 2qf7 s PRO 137 N 0.77 3.32 0.19 2.72 0.04 -1.26 -4.05 135.00 136.73 2qf7 s PRO 137 Ca -0.01 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2qf7 s PRO 137 Cb -0.14 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 2qf7 s PRO 137 CO 0.02 -1.00 -0.07 0.14 0.04 0.00 0.00 177.00 176.13 2qf7 s VAL 138 N -1.38 1.21 0.20 -0.36 -7.23 -1.26 -0.58 120.40 111.00 2qf7 s VAL 138 Ca 0.69 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.48 2qf7 s VAL 138 Cb -0.37 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 2qf7 s VAL 138 CO 0.44 -0.57 1.46 0.54 -0.31 0.00 0.00 175.10 176.65 2qf7 s VAL 139 N -3.30 2.80 -0.65 1.32 0.11 -1.26 -4.87 120.40 114.55 2qf7 s VAL 139 Ca 0.22 0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 59.64 2qf7 s VAL 139 Cb 0.03 -3.40 -0.12 0.00 -1.53 0.00 0.00 36.38 31.36 2qf7 s VAL 139 CO 0.04 0.08 2.44 -2.65 -3.33 0.00 0.00 175.10 171.68 2qf7 n PRO 140 N 3.09 0.75 0.00 1.54 -0.02 -1.26 -4.81 135.00 134.29 2qf7 n PRO 140 Ca 0.09 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2qf7 n PRO 140 Cb 0.40 -3.18 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 2qf7 n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qf7 n ALA 141 N 15.57 0.00 -2.42 3.55 0.00 -1.26 -3.34 120.51 132.60 2qf7 n ALA 141 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 2qf7 n ALA 141 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2qf7 n ALA 141 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2qf7 s THR 142 N 2.74 0.18 0.37 0.00 -1.32 -0.94 -4.94 115.64 111.72 2qf7 s THR 142 Ca 0.00 -1.45 -0.23 0.00 -1.21 0.00 0.00 61.69 58.79 2qf7 s THR 142 Cb 0.00 -1.12 -0.10 0.00 -1.51 0.00 0.00 72.50 69.76 2qf7 s THR 142 CO 0.00 -0.80 0.94 -1.61 -2.21 0.00 0.00 174.62 170.93 2qf7 s GLU 143 N -3.15 4.40 0.00 7.08 2.02 -1.26 -4.64 118.70 123.15 2qf7 s GLU 143 Ca -0.00 1.21 -0.02 0.00 0.02 0.00 0.00 54.97 56.18 2qf7 s GLU 143 Cb 0.02 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 2qf7 s GLU 143 CO -0.07 0.14 0.49 -2.30 0.02 0.00 0.00 175.26 173.54 2qf7 n PRO 144 N 0.01 0.00 0.00 0.39 -0.02 -1.26 -4.64 135.00 129.48 2qf7 n PRO 144 Ca 0.04 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2qf7 n PRO 144 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2qf7 n PRO 144 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2qf7 n LEU 145 N 3.87 0.00 0.18 2.45 -0.00 -0.77 -4.70 117.00 118.03 2qf7 n LEU 145 Ca 0.03 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.18 2qf7 n LEU 145 Cb 0.05 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 43.94 2qf7 n LEU 145 CO 0.27 0.00 0.89 1.55 -0.00 0.00 0.00 177.39 180.10 2qf7 h PRO 146 N 0.00 0.00 0.00 1.47 0.13 -1.90 -3.47 132.00 128.23 2qf7 h PRO 146 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qf7 h PRO 146 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qf7 h PRO 146 CO 0.00 0.00 0.00 -2.30 -0.23 0.00 0.00 178.00 175.47 2qf7 n PRO 162 N -2.64 0.00 -4.10 1.56 -0.02 -1.26 -5.15 135.00 123.39 2qf7 n PRO 162 Ca 0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 2qf7 n PRO 162 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.78 2qf7 n PRO 162 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qf7 s VAL 163 N 0.00 3.51 -0.16 -1.45 -7.23 -1.04 0.20 120.40 114.23 2qf7 s VAL 163 Ca 0.00 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2qf7 s VAL 163 Cb 0.00 -3.07 0.03 0.00 0.56 0.00 0.00 36.38 33.90 2qf7 s VAL 163 CO 0.00 -0.26 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.08 2qf7 s MET 164 N -3.83 2.18 0.36 4.82 1.75 0.36 -1.90 119.30 123.05 2qf7 s MET 164 Ca 0.36 -0.63 -0.28 0.00 -1.25 0.00 0.00 55.69 53.89 2qf7 s MET 164 Cb -0.05 -2.18 -0.10 0.00 2.84 0.00 0.00 34.83 35.35 2qf7 s MET 164 CO 0.23 -0.30 1.29 -0.48 -0.65 0.00 0.00 175.02 175.12 2qf7 s LEU 165 N 1.47 4.34 -0.06 4.11 -0.00 0.49 -0.39 118.68 128.65 2qf7 s LEU 165 Ca 0.03 2.65 -0.05 0.00 -0.00 0.00 0.00 54.13 56.76 2qf7 s LEU 165 Cb -0.14 -3.76 0.02 0.00 -0.00 0.00 0.00 46.19 42.31 2qf7 s LEU 165 CO -0.10 -0.65 0.15 -0.54 -0.00 0.00 0.00 176.35 175.21 2qf7 s LYS 166 N -1.98 0.17 0.12 1.48 1.02 0.32 -2.18 119.74 118.69 2qf7 s LYS 166 Ca 0.52 0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 2qf7 s LYS 166 Cb -0.38 0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 36.94 2qf7 s LYS 166 CO 0.50 -0.03 1.02 0.00 -0.92 0.00 0.00 175.35 175.93 2qf7 s ALA 167 N 0.13 3.29 -0.80 5.17 0.00 -1.26 -0.66 121.76 127.63 2qf7 s ALA 167 Ca -0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2qf7 s ALA 167 Cb -0.02 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2qf7 s ALA 167 CO -0.00 -0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.06 2qf7 n SER 168 N 2.83 0.00 -0.68 0.00 7.64 -1.26 -4.93 113.62 117.21 2qf7 n SER 168 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2qf7 n SER 168 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2qf7 n SER 168 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2qf7 n MET 176 N 0.51 0.00 -3.55 1.43 1.56 -1.26 -4.56 117.12 111.26 2qf7 n MET 176 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.31 2qf7 n MET 176 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 2qf7 n MET 176 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2qf7 s ARG 177 N -1.05 0.77 -0.14 2.12 3.00 -0.93 -5.02 118.95 117.70 2qf7 s ARG 177 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 55.73 55.65 2qf7 s ARG 177 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 34.95 35.27 2qf7 s ARG 177 CO 0.00 -0.26 0.42 0.08 0.00 0.00 0.00 175.30 175.54 2qf7 s VAL 178 N -1.52 5.22 -0.10 3.52 1.01 -1.26 -0.38 120.40 126.90 2qf7 s VAL 178 Ca -0.03 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2qf7 s VAL 178 Cb -0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2qf7 s VAL 178 CO 0.02 0.33 -0.21 -0.63 0.00 0.00 0.00 175.10 174.61 2qf7 s ILE 179 N 0.71 2.37 -0.29 2.22 1.09 -0.80 -4.96 121.20 121.55 2qf7 s ILE 179 Ca 0.22 -0.92 0.09 0.00 -1.10 0.00 0.00 60.65 58.94 2qf7 s ILE 179 Cb -0.14 -1.92 0.51 0.00 -1.06 0.00 0.00 42.46 39.84 2qf7 s ILE 179 CO 0.08 0.55 1.46 -2.11 -0.10 0.00 0.00 174.94 174.83 2qf7 n ARG 180 N 3.32 1.88 0.00 2.79 -4.01 -1.26 -2.49 116.66 116.90 2qf7 n ARG 180 Ca -0.18 -3.17 0.00 0.00 -1.04 0.00 0.00 57.85 53.45 2qf7 n ARG 180 Cb 0.53 -1.82 0.00 0.00 -3.04 0.00 0.00 32.46 28.13 2qf7 n ARG 180 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 2qf7 n VAL 205 N -1.10 0.00 -4.50 8.89 0.24 -1.26 -4.64 118.33 115.97 2qf7 n VAL 205 Ca 0.33 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.38 2qf7 n VAL 205 Cb 1.03 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.30 2qf7 n VAL 205 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2qf7 s TYR 206 N 0.00 2.31 -0.27 6.34 -0.85 0.16 -1.84 117.35 123.21 2qf7 s TYR 206 Ca 0.00 -0.42 -0.09 0.00 -0.52 0.00 0.00 57.07 56.04 2qf7 s TYR 206 Cb 0.00 -1.16 -0.03 0.00 0.38 0.00 0.00 41.96 41.15 2qf7 s TYR 206 CO 0.00 0.64 0.11 -0.51 -1.52 0.00 0.00 175.55 174.27 2qf7 s LEU 207 N -3.54 3.68 -0.16 -3.49 1.43 -1.26 -0.52 118.68 114.82 2qf7 s LEU 207 Ca 0.31 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2qf7 s LEU 207 Cb -0.01 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2qf7 s LEU 207 CO 0.15 -0.06 0.10 -0.70 0.23 0.00 0.00 176.35 176.08 2qf7 s GLU 208 N 1.65 3.77 0.56 1.70 2.12 0.48 -2.21 118.70 126.77 2qf7 s GLU 208 Ca 0.06 -0.24 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 2qf7 s GLU 208 Cb -0.16 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2qf7 s GLU 208 CO 0.06 0.49 1.26 1.17 -0.54 0.00 0.00 175.26 177.69 2qf7 n LYS 209 N 2.89 1.47 -2.96 4.30 4.81 -1.21 0.14 118.16 127.59 2qf7 n LYS 209 Ca -0.18 0.55 -0.42 0.00 -0.87 0.00 0.00 58.31 57.39 2qf7 n LYS 209 Cb 0.53 -2.46 -0.05 0.00 0.02 0.00 0.00 35.03 33.08 2qf7 n LYS 209 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2qf7 s LEU 210 N -3.04 4.09 -0.69 3.14 0.20 0.52 -4.64 118.68 118.27 2qf7 s LEU 210 Ca 0.73 0.65 -0.22 0.00 0.69 0.00 0.00 54.13 55.97 2qf7 s LEU 210 Cb -0.43 -3.06 0.07 0.00 -0.43 0.00 0.00 46.19 42.35 2qf7 s LEU 210 CO 0.49 -0.60 0.99 -0.69 -0.29 0.00 0.00 176.35 176.24 2qf7 s VAL 211 N 2.93 4.33 0.09 1.68 1.01 -1.26 -4.88 120.40 124.30 2qf7 s VAL 211 Ca 0.32 -0.44 0.22 0.00 0.00 0.00 0.00 61.98 62.08 2qf7 s VAL 211 Cb -0.14 -4.71 0.21 0.00 0.00 0.00 0.00 36.38 31.74 2qf7 s VAL 211 CO 0.12 -1.48 1.77 -0.33 0.00 0.00 0.00 175.10 175.18 2qf7 h GLU 212 N 9.53 0.00 -2.92 2.72 5.08 -1.95 -3.30 114.58 123.74 2qf7 h GLU 212 Ca -0.25 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.50 2qf7 h GLU 212 Cb 1.07 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.91 2qf7 h GLU 212 CO 1.18 0.27 -0.68 1.03 -1.00 0.00 0.00 179.01 179.81 2qf7 s ARG 213 N -3.56 2.01 -0.06 2.33 0.52 -1.26 -4.94 118.95 113.99 2qf7 s ARG 213 Ca 0.01 -2.96 -0.04 0.00 -0.52 0.00 0.00 55.73 52.23 2qf7 s ARG 213 Cb 0.10 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 2qf7 s ARG 213 CO 0.65 -1.30 0.13 0.00 0.02 0.00 0.00 175.30 174.80 2qf7 s ALA 214 N -0.96 3.78 0.02 2.13 0.00 -1.24 -0.77 121.76 124.72 2qf7 s ALA 214 Ca 0.26 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2qf7 s ALA 214 Cb -0.04 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2qf7 s ALA 214 CO -0.16 0.67 -0.01 1.03 0.00 0.00 0.00 175.76 177.29 2qf7 s ARG 215 N -1.43 2.68 -0.32 0.00 0.52 0.24 -0.73 118.95 119.90 2qf7 s ARG 215 Ca 0.20 -0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2qf7 s ARG 215 Cb -0.12 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 2qf7 s ARG 215 CO 0.10 0.60 0.19 -1.58 0.02 0.00 0.00 175.30 174.64 2qf7 s HIS 216 N -1.11 3.20 0.01 -0.53 5.65 -1.26 -0.26 115.29 120.99 2qf7 s HIS 216 Ca 0.20 -0.38 0.06 0.00 0.25 0.00 0.00 55.06 55.20 2qf7 s HIS 216 Cb -0.11 -2.41 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 2qf7 s HIS 216 CO 0.11 -0.40 -0.18 0.54 -0.65 0.00 0.00 174.74 174.17 2qf7 s VAL 217 N 1.67 1.42 -0.02 0.89 0.11 -0.92 -0.82 120.40 122.74 2qf7 s VAL 217 Ca 0.05 -0.90 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 2qf7 s VAL 217 Cb -0.17 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 2qf7 s VAL 217 CO 0.08 0.29 0.10 -1.83 -3.33 0.00 0.00 175.10 170.41 2qf7 s GLU 218 N -0.71 0.28 -0.16 1.54 -1.05 -0.28 -0.83 118.70 117.49 2qf7 s GLU 218 Ca 0.06 -0.16 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 2qf7 s GLU 218 Cb -0.07 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 2qf7 s GLU 218 CO 0.00 -0.05 0.13 -1.12 0.95 0.00 0.00 175.26 175.17 2qf7 s SER 219 N -0.68 6.29 -0.07 0.83 0.01 0.13 -0.14 113.70 120.08 2qf7 s SER 219 Ca -0.08 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.27 2qf7 s SER 219 Cb -0.05 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 2qf7 s SER 219 CO 0.00 0.29 0.82 -1.58 0.41 0.00 0.00 173.24 173.19 2qf7 s GLN 220 N -0.33 4.44 0.27 12.44 2.00 -0.22 -1.56 119.66 136.69 2qf7 s GLN 220 Ca 0.11 1.09 0.10 0.00 -2.00 0.00 0.00 55.36 54.66 2qf7 s GLN 220 Cb -0.12 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.16 2qf7 s GLN 220 CO 0.01 -0.07 -0.16 0.96 -0.50 0.00 0.00 175.29 175.54 2qf7 s ILE 221 N 1.19 2.16 -0.01 -2.34 -4.36 -0.47 -0.14 121.20 117.23 2qf7 s ILE 221 Ca 0.42 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 2qf7 s ILE 221 Cb -0.18 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.25 2qf7 s ILE 221 CO 0.20 -0.43 -0.00 -0.76 0.24 0.00 0.00 174.94 174.19 2qf7 s LEU 222 N -3.46 1.78 0.04 0.37 1.43 -0.72 -2.29 118.68 115.83 2qf7 s LEU 222 Ca 0.28 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2qf7 s LEU 222 Cb -0.02 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.12 2qf7 s LEU 222 CO 0.12 -0.02 -0.09 -0.83 0.23 0.00 0.00 176.35 175.76 2qf7 s GLY 223 N 0.24 0.57 0.45 -3.19 0.00 -0.32 -1.25 107.32 103.83 2qf7 s GLY 223 Ca -0.02 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.01 2qf7 s GLY 223 CO -0.01 -0.76 0.36 2.09 0.00 0.00 0.00 173.10 174.78 2qf7 n ASP 224 N 1.71 2.38 0.00 1.64 5.68 -0.19 -0.99 116.55 126.77 2qf7 n ASP 224 Ca -0.20 -2.52 0.16 0.00 -0.50 0.00 0.00 54.79 51.73 2qf7 n ASP 224 Cb 0.55 -0.06 0.93 0.00 -1.14 0.00 0.00 41.12 41.41 2qf7 n ASP 224 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qf7 n THR 225 N -1.58 0.00 -0.32 2.12 -2.24 -1.26 -3.03 114.28 107.96 2qf7 n THR 225 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 2qf7 n THR 225 Cb 0.51 -0.50 0.23 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.02 0.75 -1.01 4.78 8.25 -1.26 -4.97 115.22 120.73 2qf7 n HIS 226 Ca 0.23 -0.53 -0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2qf7 n HIS 226 Cb 0.12 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 0.90 0.47 3.79 -1.41 0.00 -1.17 -5.04 105.19 102.73 2qf7 n GLY 227 Ca 0.18 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.30 6.90 -0.00 1.61 -0.87 -1.26 -4.92 114.94 114.10 2qf7 s ASN 228 Ca 0.00 1.07 0.03 0.00 -1.57 0.00 0.00 52.86 52.39 2qf7 s ASN 228 Cb 0.00 -2.32 -0.01 0.00 -0.02 0.00 0.00 41.25 38.91 2qf7 s ASN 228 CO 0.00 0.20 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.95 2qf7 s VAL 229 N -0.58 0.69 0.18 1.60 1.01 -1.26 -1.03 120.40 121.02 2qf7 s VAL 229 Ca 0.27 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2qf7 s VAL 229 Cb -0.18 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2qf7 s VAL 229 CO 0.15 0.18 -0.14 0.68 0.00 0.00 0.00 175.10 175.97 2qf7 s VAL 230 N -0.24 1.59 0.10 2.92 -7.23 -0.38 -4.98 120.40 112.17 2qf7 s VAL 230 Ca 0.03 -2.13 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 2qf7 s VAL 230 Cb -0.04 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2qf7 s VAL 230 CO -0.00 -0.60 -0.13 -1.38 -0.31 0.00 0.00 175.10 172.68 2qf7 s HIS 231 N -2.93 2.67 -0.55 2.82 -3.43 -1.26 -1.76 115.29 110.84 2qf7 s HIS 231 Ca 0.20 -0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.29 2qf7 s HIS 231 Cb -0.01 -1.42 0.42 0.00 -1.43 0.00 0.00 32.58 30.15 2qf7 s HIS 231 CO 0.05 0.40 1.59 1.28 -2.00 0.00 0.00 174.74 176.06 2qf7 n LEU 232 N 0.85 6.23 0.00 5.38 4.32 0.81 -4.99 117.00 129.60 2qf7 n LEU 232 Ca -0.14 -4.74 0.00 0.00 -0.02 0.00 0.00 56.01 51.10 2qf7 n LEU 232 Cb 0.52 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 2qf7 n LEU 232 CO 0.31 1.88 0.00 0.49 -1.22 0.00 0.00 177.39 178.85 2qf7 n PHE 233 N -0.68 -1.01 -4.54 -1.77 3.01 -1.26 -4.61 117.46 106.60 2qf7 n PHE 233 Ca 0.50 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.71 2qf7 n PHE 233 Cb 0.65 0.20 -0.11 0.00 -0.01 0.00 0.00 39.48 40.22 2qf7 n PHE 233 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2qf7 s GLU 234 N 0.00 1.82 0.04 -1.08 1.03 -1.26 -1.06 118.70 118.19 2qf7 s GLU 234 Ca 0.00 -2.03 0.03 0.00 0.03 0.00 0.00 54.97 53.01 2qf7 s GLU 234 Cb 0.00 -1.25 -0.02 0.00 -0.80 0.00 0.00 34.13 32.06 2qf7 s GLU 234 CO 0.00 -0.13 -0.10 1.03 -1.33 0.00 0.00 175.26 174.72 2qf7 s ARG 235 N -3.80 0.70 -0.10 -4.83 0.52 0.81 -3.91 118.95 108.33 2qf7 s ARG 235 Ca 0.35 -0.68 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 2qf7 s ARG 235 Cb 0.09 -0.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.89 2qf7 s ARG 235 CO 0.16 0.15 0.40 0.34 0.02 0.00 0.00 175.30 176.38 2qf7 s ASP 236 N -1.16 6.64 -0.15 0.23 2.15 0.05 -1.12 116.67 123.31 2qf7 s ASP 236 Ca -0.03 0.76 0.18 0.00 0.43 0.00 0.00 52.55 53.90 2qf7 s ASP 236 Cb -0.08 -2.25 0.44 0.00 -0.30 0.00 0.00 42.92 40.74 2qf7 s ASP 236 CO 0.01 0.11 1.18 0.00 -0.17 0.00 0.00 175.17 176.30 2qf7 h SER 238 N 1.44 0.00 -2.26 0.00 0.02 -1.81 -3.42 113.55 107.52 2qf7 h SER 238 Ca -0.06 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.33 2qf7 h SER 238 Cb 1.47 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.92 2qf7 h SER 238 CO 0.17 0.25 1.06 -0.69 -1.14 0.00 0.00 176.83 176.48 2qf7 s VAL 239 N -3.18 3.80 0.03 2.27 1.01 -1.26 -3.77 120.40 119.29 2qf7 s VAL 239 Ca 0.05 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2qf7 s VAL 239 Cb 0.07 -4.91 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 2qf7 s VAL 239 CO 0.69 -1.83 -0.09 -1.10 0.00 0.00 0.00 175.10 172.77 2qf7 s GLN 240 N 5.51 0.60 -0.08 2.72 -0.21 -1.26 -0.96 119.66 125.97 2qf7 s GLN 240 Ca 0.35 -0.63 0.02 0.00 0.02 0.00 0.00 55.36 55.12 2qf7 s GLN 240 Cb -0.08 -0.48 0.01 0.00 1.00 0.00 0.00 33.01 33.46 2qf7 s GLN 240 CO 0.12 0.11 -0.13 0.50 -2.12 0.00 0.00 175.29 173.77 2qf7 s ARG 241 N -1.15 1.85 -1.38 2.91 3.52 -0.26 -4.20 118.95 120.25 2qf7 s ARG 241 Ca -0.04 -0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 2qf7 s ARG 241 Cb -0.08 -1.58 0.01 0.00 -1.56 0.00 0.00 34.95 31.74 2qf7 s ARG 241 CO 0.01 -0.03 0.39 0.54 -0.81 0.00 0.00 175.30 175.40 2qf7 n ARG 242 N 4.04 -1.83 -1.37 5.12 5.12 -1.26 -1.29 116.66 125.19 2qf7 n ARG 242 Ca -0.20 0.27 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 2qf7 n ARG 242 Cb 0.51 -3.87 -0.06 0.00 -1.16 0.00 0.00 32.46 27.88 2qf7 n ARG 242 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qf7 n ASN 243 N -2.78 -3.73 -4.48 0.55 3.02 -1.26 -5.00 115.26 101.58 2qf7 n ASN 243 Ca -0.25 0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 2qf7 n ASN 243 Cb 0.66 -3.40 -0.13 0.00 -0.61 0.00 0.00 39.78 36.30 2qf7 n ASN 243 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qf7 s GLN 244 N -3.10 2.46 0.32 3.52 -1.52 -0.41 -5.11 119.66 115.82 2qf7 s GLN 244 Ca 0.00 -0.73 -0.29 0.00 -1.95 0.00 0.00 55.36 52.40 2qf7 s GLN 244 Cb 0.00 -2.36 -0.10 0.00 -0.22 0.00 0.00 33.01 30.32 2qf7 s GLN 244 CO 0.00 0.61 1.28 0.15 -0.25 0.00 0.00 175.29 177.09 2qf7 s LYS 245 N -0.84 4.40 -0.04 2.91 1.02 -1.26 -1.10 119.74 124.83 2qf7 s LYS 245 Ca 0.12 2.15 -0.02 0.00 0.02 0.00 0.00 55.97 58.24 2qf7 s LYS 245 Cb -0.11 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2qf7 s LYS 245 CO 0.01 -0.14 -0.05 0.28 -0.92 0.00 0.00 175.35 174.54 2qf7 n VAL 246 N 0.97 0.21 -4.77 3.17 0.31 -0.14 -4.90 118.33 113.19 2qf7 n VAL 246 Ca 0.00 -0.05 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 2qf7 n VAL 246 Cb 0.42 -1.53 -0.17 0.00 -0.91 0.00 0.00 33.84 31.66 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 -2.07 1.55 0.18 2.52 1.01 -1.21 -4.07 120.40 118.32 2qf7 s VAL 247 Ca -0.05 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2qf7 s VAL 247 Cb 0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qf7 s VAL 247 CO 0.07 0.45 -0.12 -1.61 0.00 0.00 0.00 175.10 173.88 2qf7 s GLU 248 N 0.63 1.95 0.00 2.72 8.01 -0.96 -4.23 118.70 126.83 2qf7 s GLU 248 Ca -0.14 -1.32 0.01 0.00 0.01 0.00 0.00 54.97 53.52 2qf7 s GLU 248 Cb -0.16 -2.10 -0.01 0.00 -4.31 0.00 0.00 34.13 27.56 2qf7 s GLU 248 CO 0.04 0.43 -0.03 1.03 0.01 0.00 0.00 175.26 176.74 2qf7 s ARG 249 N -2.81 0.24 -0.03 1.61 0.52 -0.41 -0.99 118.95 117.08 2qf7 s ARG 249 Ca 0.24 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 2qf7 s ARG 249 Cb -0.09 -0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.21 2qf7 s ARG 249 CO 0.14 0.05 -0.08 0.00 0.02 0.00 0.00 175.30 175.43 2qf7 s ALA 250 N -0.27 0.83 1.22 2.13 0.00 -0.42 -0.77 121.76 124.47 2qf7 s ALA 250 Ca -0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 2qf7 s ALA 250 Cb -0.02 -0.34 0.29 0.00 0.00 0.00 0.00 23.12 23.05 2qf7 s ALA 250 CO -0.00 0.11 1.11 -0.35 0.00 0.00 0.00 175.76 176.63 2qf7 n PRO 251 N 3.41 -2.89 -2.37 0.00 -0.04 -1.26 -0.53 135.00 131.32 2qf7 n PRO 251 Ca -0.19 -1.77 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 2qf7 n PRO 251 Cb 0.54 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.14 3.40 -0.34 0.55 0.00 -1.25 -4.59 121.76 116.38 2qf7 s ALA 252 Ca 0.71 0.22 0.27 0.00 0.00 0.00 0.00 51.96 53.15 2qf7 s ALA 252 Cb -0.06 -3.76 1.05 0.00 0.00 0.00 0.00 23.12 20.34 2qf7 s ALA 252 CO 0.54 -1.70 1.79 -1.00 0.00 0.00 0.00 175.76 175.38 2qf7 h PRO 253 N 9.34 0.00 -0.01 0.00 0.13 -1.94 -2.89 132.00 136.62 2qf7 h PRO 253 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2qf7 h PRO 253 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qf7 h PRO 253 CO 1.02 0.00 -0.20 2.48 -0.23 0.00 0.00 178.00 181.07 2qf7 n TYR 254 N -2.51 0.00 -2.79 1.56 0.18 -1.26 -4.92 117.16 107.42 2qf7 n TYR 254 Ca 0.02 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.41 2qf7 n TYR 254 Cb 0.28 -0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.12 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 -2.32 4.52 0.93 -3.48 1.02 -1.09 -5.08 118.68 113.17 2qf7 s LEU 255 Ca 0.27 1.86 -0.12 0.00 0.02 0.00 0.00 54.13 56.16 2qf7 s LEU 255 Cb 0.20 -3.74 0.15 0.00 0.02 0.00 0.00 46.19 42.82 2qf7 s LEU 255 CO 0.46 0.07 1.12 -0.94 0.02 0.00 0.00 176.35 177.08 2qf7 s SER 256 N -1.36 3.29 0.36 2.29 1.04 -1.26 -4.91 113.70 113.15 2qf7 s SER 256 Ca 0.44 1.08 0.10 0.00 0.48 0.00 0.00 55.95 58.05 2qf7 s SER 256 Cb -0.23 -1.70 0.70 0.00 0.10 0.00 0.00 66.02 64.89 2qf7 s SER 256 CO 0.28 -2.70 1.85 -0.08 0.98 0.00 0.00 173.24 173.56 2qf7 h GLU 257 N -1.60 0.18 -0.09 4.02 4.57 -1.99 -1.94 114.58 117.72 2qf7 h GLU 257 Ca -0.52 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 2qf7 h GLU 257 Cb 1.32 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2qf7 h GLU 257 CO 0.60 0.43 -0.03 0.00 -1.18 0.00 0.00 179.01 178.82 2qf7 h ALA 258 N 1.58 0.13 -0.48 2.92 0.00 -2.00 -2.10 119.26 119.31 2qf7 h ALA 258 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2qf7 h ALA 258 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qf7 h ALA 258 CO 0.04 -0.12 0.25 1.96 0.00 0.00 0.00 179.25 181.38 2qf7 h GLN 259 N -0.16 0.66 -0.64 0.00 4.20 -1.91 -0.53 115.11 116.73 2qf7 h GLN 259 Ca 0.02 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2qf7 h GLN 259 Cb 0.46 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2qf7 h GLN 259 CO 0.01 0.50 0.19 -0.09 -0.67 0.00 0.00 178.83 178.77 2qf7 h ARG 260 N 0.67 1.01 0.01 1.46 2.43 -1.10 -1.95 114.38 116.90 2qf7 h ARG 260 Ca 0.17 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2qf7 h ARG 260 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2qf7 h ARG 260 CO -0.03 0.89 -0.91 1.96 -1.51 0.00 0.00 179.97 180.38 2qf7 h GLN 261 N 0.93 0.26 -0.24 0.20 1.08 -1.01 -2.29 115.11 114.04 2qf7 h GLN 261 Ca 0.21 -0.29 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2qf7 h GLN 261 Cb 0.31 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 2qf7 h GLN 261 CO -0.00 1.01 0.01 1.49 -0.95 0.00 0.00 178.83 180.38 2qf7 h GLU 262 N 0.14 0.08 -0.40 1.46 4.81 -0.88 -1.61 114.58 118.17 2qf7 h GLU 262 Ca -0.06 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2qf7 h GLU 262 Cb 1.55 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 2qf7 h GLU 262 CO 0.14 0.05 0.10 1.25 -0.73 0.00 0.00 179.01 179.83 2qf7 h LEU 263 N 0.08 0.61 -0.87 1.64 5.85 -1.37 -2.50 115.31 118.75 2qf7 h LEU 263 Ca 0.11 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2qf7 h LEU 263 Cb 0.14 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2qf7 h LEU 263 CO -0.19 0.68 0.57 0.00 -0.34 0.00 0.00 178.44 179.16 2qf7 h ALA 264 N 0.95 1.14 -0.52 1.25 0.00 -1.25 -1.50 119.26 119.33 2qf7 h ALA 264 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2qf7 h ALA 264 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qf7 h ALA 264 CO 0.00 0.44 0.07 0.00 0.00 0.00 0.00 179.25 179.75 2qf7 h ALA 265 N 1.35 1.15 -0.55 0.00 0.00 -1.04 -2.08 119.26 118.10 2qf7 h ALA 265 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2qf7 h ALA 265 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qf7 h ALA 265 CO -0.11 0.56 0.13 1.88 0.00 0.00 0.00 179.25 181.71 2qf7 h TYR 266 N 0.78 0.92 -0.57 0.00 0.05 -0.98 -2.57 116.97 114.60 2qf7 h TYR 266 Ca 0.16 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 2qf7 h TYR 266 Cb 0.37 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2qf7 h TYR 266 CO 0.02 0.80 -0.05 0.77 -1.05 0.00 0.00 178.16 178.65 2qf7 h SER 267 N 0.78 1.02 -0.16 3.88 0.02 -1.02 -1.88 113.55 116.19 2qf7 h SER 267 Ca 0.17 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2qf7 h SER 267 Cb 0.35 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2qf7 h SER 267 CO 0.00 1.10 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.68 2qf7 h LEU 268 N 0.93 0.42 0.11 5.07 3.38 -1.38 0.70 115.31 124.54 2qf7 h LEU 268 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qf7 h LEU 268 Cb 0.61 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qf7 h LEU 268 CO 0.04 0.52 -0.05 0.11 0.09 0.00 0.00 178.44 179.15 2qf7 h LYS 269 N 0.43 -0.14 -0.09 1.13 1.57 -1.01 -0.85 116.57 117.61 2qf7 h LYS 269 Ca 0.09 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2qf7 h LYS 269 Cb 0.35 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2qf7 h LYS 269 CO 0.01 0.00 0.03 0.82 -0.57 0.00 0.00 179.45 179.75 2qf7 h ILE 270 N -0.25 0.98 -0.18 1.86 1.08 -1.18 -0.31 117.51 119.50 2qf7 h ILE 270 Ca -0.01 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2qf7 h ILE 270 Cb 0.20 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2qf7 h ILE 270 CO 0.02 0.02 0.11 0.00 -0.69 0.00 0.00 178.15 177.61 2qf7 h ALA 271 N 1.06 0.23 -0.49 1.87 0.00 -0.84 -2.65 119.26 118.44 2qf7 h ALA 271 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qf7 h ALA 271 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qf7 h ALA 271 CO -0.04 -0.26 0.31 0.78 0.00 0.00 0.00 179.25 180.04 2qf7 h GLY 272 N 0.22 0.71 1.67 0.00 0.00 -1.10 -1.44 103.07 103.13 2qf7 h GLY 272 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.15 2qf7 h GLY 272 CO -0.01 0.28 0.13 0.00 0.00 0.00 0.00 176.54 176.93 2qf7 h ALA 273 N 1.15 1.91 -0.35 3.60 0.00 -0.90 -1.23 119.26 123.45 2qf7 h ALA 273 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qf7 h ALA 273 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qf7 h ALA 273 CO -0.04 -0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.27 2qf7 n THR 274 N -4.12 0.71 -3.96 0.00 -2.24 -1.01 -4.95 114.28 98.70 2qf7 n THR 274 Ca 0.00 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.63 2qf7 n THR 274 Cb 0.25 0.74 0.01 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.90 -3.95 -4.71 3.42 3.02 -0.46 -4.76 115.26 108.72 2qf7 n ASN 275 Ca 0.14 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 2qf7 n ASN 275 Cb 0.46 -3.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.98 2qf7 n ASN 275 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qf7 s TYR 276 N -3.37 2.60 -0.23 3.10 5.04 -0.62 -4.98 117.35 118.89 2qf7 s TYR 276 Ca 0.59 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.34 2qf7 s TYR 276 Cb -0.30 -4.16 -0.02 0.00 0.35 0.00 0.00 41.96 37.82 2qf7 s TYR 276 CO 0.85 -4.57 0.03 0.42 -1.34 0.00 0.00 175.55 170.94 2qf7 s ILE 277 N 1.80 4.02 0.00 3.14 1.01 -1.26 -3.94 121.20 125.97 2qf7 s ILE 277 Ca 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2qf7 s ILE 277 Cb -0.49 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2qf7 s ILE 277 CO 0.34 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2qf7 n GLY 278 N 4.74 -0.01 3.81 6.18 0.00 -0.16 -1.46 105.19 118.29 2qf7 n GLY 278 Ca -0.17 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 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 3.71 0.21 4.61 0.00 -1.26 -1.17 121.76 125.86 2qf7 s ALA 279 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 2qf7 s ALA 279 Cb 0.00 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.25 2qf7 s ALA 279 CO 0.00 0.54 0.52 0.20 0.00 0.00 0.00 175.76 177.02 2qf7 s GLY 280 N -0.78 -0.00 -0.05 0.00 0.00 -0.97 -3.11 107.32 102.41 2qf7 s GLY 280 Ca 0.13 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.56 2qf7 s GLY 280 CO 0.03 -0.31 -0.14 -1.59 0.00 0.00 0.00 173.10 171.09 2qf7 s THR 281 N -3.90 1.20 -0.27 0.90 2.01 -0.50 -1.37 115.64 113.71 2qf7 s THR 281 Ca 0.11 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.47 2qf7 s THR 281 Cb -0.01 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2qf7 s THR 281 CO -0.01 0.36 0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 2qf7 s VAL 282 N 0.31 4.32 -0.14 3.82 1.01 -0.60 -0.39 120.40 128.72 2qf7 s VAL 282 Ca -0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2qf7 s VAL 282 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2qf7 s VAL 282 CO 0.03 0.24 0.13 -1.61 0.00 0.00 0.00 175.10 173.88 2qf7 s GLU 283 N 1.60 3.65 0.17 2.72 2.02 0.52 -0.69 118.70 128.68 2qf7 s GLU 283 Ca 0.05 -0.18 0.09 0.00 0.02 0.00 0.00 54.97 54.95 2qf7 s GLU 283 Cb -0.16 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2qf7 s GLU 283 CO 0.04 0.62 -0.18 0.71 0.02 0.00 0.00 175.26 176.46 2qf7 s TYR 284 N -0.57 1.84 -0.11 1.61 2.02 -0.01 0.31 117.35 122.44 2qf7 s TYR 284 Ca 0.12 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2qf7 s TYR 284 Cb -0.12 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2qf7 s TYR 284 CO 0.02 0.34 0.00 -0.51 -1.57 0.00 0.00 175.55 173.83 2qf7 s LEU 285 N -2.67 3.56 -0.15 -1.29 1.43 -0.10 -2.16 118.68 117.30 2qf7 s LEU 285 Ca 0.16 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2qf7 s LEU 285 Cb -0.06 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2qf7 s LEU 285 CO 0.07 0.31 -0.01 -0.32 0.23 0.00 0.00 176.35 176.63 2qf7 s MET 286 N -0.47 3.61 -0.45 1.70 -2.45 0.64 -1.14 119.30 120.75 2qf7 s MET 286 Ca 0.08 -0.46 -0.28 0.00 -1.25 0.00 0.00 55.69 53.79 2qf7 s MET 286 Cb -0.12 -2.96 0.03 0.00 1.25 0.00 0.00 34.83 33.03 2qf7 s MET 286 CO 0.02 0.34 1.05 0.34 1.05 0.00 0.00 175.02 177.82 2qf7 s ASP 287 N 0.13 6.62 0.58 1.11 -1.08 -0.31 -0.59 116.67 123.13 2qf7 s ASP 287 Ca 0.01 0.42 0.36 0.00 -0.52 0.00 0.00 52.55 52.81 2qf7 s ASP 287 Cb -0.13 -2.51 1.74 0.00 -1.46 0.00 0.00 42.92 40.56 2qf7 s ASP 287 CO 0.02 -1.13 2.13 0.00 0.52 0.00 0.00 175.17 176.72 2qf7 h ALA 288 N 9.02 1.06 -0.00 3.66 0.00 -1.28 0.29 119.26 132.01 2qf7 h ALA 288 Ca -0.23 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2qf7 h ALA 288 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2qf7 h ALA 288 CO 1.08 0.04 -0.81 -0.44 0.00 0.00 0.00 179.25 179.11 2qf7 h ASP 289 N 0.00 0.12 0.00 0.00 3.32 -1.91 -3.39 116.42 114.56 2qf7 h ASP 289 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2qf7 h ASP 289 Cb 0.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2qf7 h ASP 289 CO 0.00 0.88 -0.73 0.35 -1.72 0.00 0.00 179.24 178.02 2qf7 n THR 290 N -3.64 0.00 -0.81 0.35 -2.24 -0.94 -5.02 114.28 101.98 2qf7 n THR 290 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qf7 n THR 290 Cb 0.77 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 2.07 1.28 3.76 3.38 0.00 0.98 -5.02 105.19 111.63 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 -0.04 4.45 0.04 1.61 1.02 -1.25 -4.79 119.74 120.78 2qf7 s LYS 292 Ca 0.00 2.06 -0.01 0.00 0.02 0.00 0.00 55.97 58.04 2qf7 s LYS 292 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2qf7 s LYS 292 CO 0.00 -0.07 0.18 -0.06 -0.92 0.00 0.00 175.35 174.48 2qf7 s PHE 293 N -0.93 3.48 -0.07 3.18 0.08 -1.26 -1.16 117.98 121.30 2qf7 s PHE 293 Ca 0.49 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 2qf7 s PHE 293 Cb -0.37 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2qf7 s PHE 293 CO 0.47 0.60 0.07 0.71 -0.10 0.00 0.00 175.22 176.97 2qf7 s TYR 294 N -1.42 0.07 0.27 0.36 2.02 -0.29 -4.72 117.35 113.64 2qf7 s TYR 294 Ca 0.31 0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.86 2qf7 s TYR 294 Cb -0.13 -0.51 -0.11 0.00 -0.40 0.00 0.00 41.96 40.81 2qf7 s TYR 294 CO 0.24 -0.26 1.62 0.12 -1.57 0.00 0.00 175.55 175.69 2qf7 s PHE 295 N 2.17 2.81 -0.11 2.71 5.36 0.25 -0.92 117.98 130.25 2qf7 s PHE 295 Ca 0.04 0.67 -0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2qf7 s PHE 295 Cb -0.13 -4.07 -0.06 0.00 -0.34 0.00 0.00 43.02 38.42 2qf7 s PHE 295 CO -0.04 -3.74 -0.13 0.44 -1.46 0.00 0.00 175.22 170.29 2qf7 n ILE 296 N 2.70 0.63 -3.72 3.12 -5.35 0.15 -4.33 119.36 112.56 2qf7 n ILE 296 Ca 0.10 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.37 2qf7 n ILE 296 Cb 0.37 -1.36 -0.01 0.00 -1.74 0.00 0.00 39.64 36.90 2qf7 n ILE 296 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2qf7 s GLU 297 N -2.21 1.01 -0.16 6.28 -1.05 -1.17 -4.95 118.70 116.44 2qf7 s GLU 297 Ca -0.16 -0.55 -0.04 0.00 -0.15 0.00 0.00 54.97 54.07 2qf7 s GLU 297 Cb 0.05 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2qf7 s GLU 297 CO 0.22 -0.46 -0.02 0.08 0.95 0.00 0.00 175.26 176.03 2qf7 s VAL 298 N -3.09 4.05 -0.55 1.83 1.01 -1.26 -0.36 120.40 122.02 2qf7 s VAL 298 Ca 0.12 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 2qf7 s VAL 298 Cb -0.00 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2qf7 s VAL 298 CO 0.01 0.49 0.79 0.20 0.00 0.00 0.00 175.10 176.58 2qf7 s ASN 299 N 0.37 6.25 -1.36 3.32 0.01 0.48 -4.93 114.94 119.07 2qf7 s ASN 299 Ca -0.03 -0.79 -0.07 0.00 -0.71 0.00 0.00 52.86 51.26 2qf7 s ASN 299 Cb -0.14 -2.36 0.10 0.00 0.41 0.00 0.00 41.25 39.26 2qf7 s ASN 299 CO 0.02 -1.11 2.36 -0.81 -1.51 0.00 0.00 177.10 176.05 2qf7 n PRO 300 N 6.86 4.23 -3.67 -0.60 -0.04 -1.26 -1.42 135.00 139.09 2qf7 n PRO 300 Ca -0.04 -3.27 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 2qf7 n PRO 300 Cb 0.46 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 -0.25 0.59 0.74 0.54 1.70 -1.18 -4.64 118.95 116.44 2qf7 s ARG 301 Ca 0.53 -0.33 -0.14 0.00 -0.47 0.00 0.00 55.73 55.32 2qf7 s ARG 301 Cb 0.17 0.20 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2qf7 s ARG 301 CO -0.07 -0.27 1.14 -1.50 -1.08 0.00 0.00 175.30 173.52 2qf7 s ILE 302 N -2.58 2.78 0.28 4.99 2.07 -1.26 -4.14 121.20 123.34 2qf7 s ILE 302 Ca 0.15 0.33 0.08 0.00 -1.41 0.00 0.00 60.65 59.80 2qf7 s ILE 302 Cb 0.03 -2.80 -0.06 0.00 0.13 0.00 0.00 42.46 39.77 2qf7 s ILE 302 CO -0.02 -0.25 -0.10 -1.10 -1.91 0.00 0.00 174.94 171.56 2qf7 s GLN 303 N -4.25 1.56 0.34 3.50 -0.21 -1.26 -4.49 119.66 114.86 2qf7 s GLN 303 Ca 0.68 -1.77 0.04 0.00 0.02 0.00 0.00 55.36 54.33 2qf7 s GLN 303 Cb -0.23 -1.31 0.65 0.00 1.00 0.00 0.00 33.01 33.13 2qf7 s GLN 303 CO 0.47 0.12 1.94 -0.24 -2.12 0.00 0.00 175.29 175.46 2qf7 h VAL 304 N 2.29 1.03 -0.18 1.09 3.04 -1.99 -2.26 116.25 119.28 2qf7 h VAL 304 Ca -0.40 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2qf7 h VAL 304 Cb 1.24 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2qf7 h VAL 304 CO 0.66 0.16 0.00 -1.84 -1.01 0.00 0.00 177.57 175.54 2qf7 n GLU 305 N -4.49 1.70 0.29 4.17 0.00 -1.26 -4.08 120.64 116.98 2qf7 n GLU 305 Ca 0.12 -0.75 0.14 0.00 0.00 0.00 0.00 57.16 56.67 2qf7 n GLU 305 Cb 0.22 -1.39 0.88 0.00 0.00 0.00 0.00 31.44 31.16 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 1.10 0.00 -0.68 -1.84 2.07 -1.82 -3.14 115.15 110.84 2qf7 h HIS 306 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2qf7 h HIS 306 Cb 0.53 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.48 2qf7 h HIS 306 CO 0.20 0.01 0.21 1.79 -3.07 0.00 0.00 177.93 177.06 2qf7 h THR 307 N 0.00 1.25 -0.30 6.12 1.35 -1.84 -1.47 112.91 118.02 2qf7 h THR 307 Ca -0.00 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2qf7 h THR 307 Cb 0.01 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 2qf7 h THR 307 CO 0.00 0.34 0.09 -0.37 -0.25 0.00 0.00 175.52 175.33 2qf7 h VAL 308 N 1.01 1.13 -0.03 6.82 -1.51 -1.90 -1.66 116.25 120.11 2qf7 h VAL 308 Ca 0.22 -0.45 -0.26 0.00 -1.23 0.00 0.00 66.70 64.99 2qf7 h VAL 308 Cb 0.29 0.81 0.02 0.00 -2.13 0.00 0.00 31.29 30.28 2qf7 h VAL 308 CO -0.01 0.16 -0.99 0.74 -1.23 0.00 0.00 177.57 176.25 2qf7 h THR 309 N 0.42 1.28 -0.68 7.19 2.02 -1.47 -2.63 112.91 119.04 2qf7 h THR 309 Ca 0.10 -2.19 0.03 0.00 0.77 0.00 0.00 66.41 65.13 2qf7 h THR 309 Cb 0.13 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 2qf7 h THR 309 CO -0.01 0.68 0.43 -0.33 0.37 0.00 0.00 175.52 176.66 2qf7 h GLU 310 N 0.43 0.81 -0.15 6.66 5.08 -0.92 -1.35 114.58 125.14 2qf7 h GLU 310 Ca -0.11 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2qf7 h GLU 310 Cb 1.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2qf7 h GLU 310 CO 0.20 0.54 -0.50 -0.39 -1.00 0.00 0.00 179.01 177.86 2qf7 h VAL 311 N 0.84 1.33 0.00 3.13 -1.51 -1.23 0.17 116.25 118.99 2qf7 h VAL 311 Ca 0.27 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 2qf7 h VAL 311 Cb 0.01 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2qf7 h VAL 311 CO -0.11 0.53 -0.65 -0.37 -1.23 0.00 0.00 177.57 175.74 2qf7 h VAL 312 N 0.32 0.00 0.00 7.19 -1.51 -1.40 -3.36 116.25 117.50 2qf7 h VAL 312 Ca 0.01 -0.70 -0.05 0.00 -1.23 0.00 0.00 66.70 64.74 2qf7 h VAL 312 Cb 0.99 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 2qf7 h VAL 312 CO 0.09 0.00 -1.82 0.35 -1.23 0.00 0.00 177.57 174.96 2qf7 n THR 313 N -2.39 0.18 -1.02 7.19 -2.24 -0.52 -0.19 114.28 115.29 2qf7 n THR 313 Ca 0.02 -0.43 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 2qf7 n THR 313 Cb 0.48 -0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.63 0.47 3.33 3.38 0.00 0.61 -4.71 105.19 109.90 2qf7 n GLY 314 Ca -0.07 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.91 3.36 -0.47 -0.61 1.01 -1.22 -5.04 121.20 116.32 2qf7 s ILE 315 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2qf7 s ILE 315 Cb 0.00 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.98 2qf7 s ILE 315 CO 0.00 0.44 1.22 -0.62 0.00 0.00 0.00 174.94 175.98 2qf7 s ASP 316 N 1.23 6.53 0.29 3.58 -1.08 -1.26 -4.41 116.67 121.56 2qf7 s ASP 316 Ca 0.03 0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.68 2qf7 s ASP 316 Cb -0.14 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.20 2qf7 s ASP 316 CO -0.02 -1.33 1.67 0.40 0.52 0.00 0.00 175.17 176.42 2qf7 h ILE 317 N 6.30 1.35 -0.10 4.11 2.04 -1.95 -1.82 117.51 127.45 2qf7 h ILE 317 Ca -0.24 -1.70 -0.19 0.00 1.00 0.00 0.00 64.86 63.73 2qf7 h ILE 317 Cb 1.07 1.85 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 2qf7 h ILE 317 CO 1.12 0.50 -0.67 0.58 0.00 0.00 0.00 178.15 179.68 2qf7 h VAL 318 N 0.12 1.33 -0.50 1.67 2.07 -1.98 -1.28 116.25 117.69 2qf7 h VAL 318 Ca 0.00 -1.95 -0.11 0.00 0.82 0.00 0.00 66.70 65.47 2qf7 h VAL 318 Cb 0.91 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2qf7 h VAL 318 CO 0.07 0.60 -0.11 0.11 0.02 0.00 0.00 177.57 178.26 2qf7 h LYS 319 N 0.27 0.92 -0.29 1.57 1.57 -1.92 -2.07 116.57 116.62 2qf7 h LYS 319 Ca -0.06 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.45 2qf7 h LYS 319 Cb 1.32 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2qf7 h LYS 319 CO 0.14 0.98 -0.00 0.00 -0.57 0.00 0.00 179.45 179.99 2qf7 h ALA 320 N 1.04 0.26 -0.44 3.86 0.00 -1.22 0.18 119.26 122.94 2qf7 h ALA 320 Ca 0.13 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2qf7 h ALA 320 Cb 0.64 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2qf7 h ALA 320 CO 0.04 -0.41 0.11 1.96 0.00 0.00 0.00 179.25 180.95 2qf7 h GLN 321 N 0.08 0.25 0.06 0.00 4.20 -0.87 -0.27 115.11 118.56 2qf7 h GLN 321 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2qf7 h GLN 321 Cb 0.18 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2qf7 h GLN 321 CO -0.24 0.16 -0.03 0.82 -0.67 0.00 0.00 178.83 178.88 2qf7 h ILE 322 N 0.26 0.94 -0.75 2.54 2.04 -1.01 -1.96 117.51 119.57 2qf7 h ILE 322 Ca 0.21 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 2qf7 h ILE 322 Cb 0.24 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2qf7 h ILE 322 CO -0.25 0.00 0.32 0.45 0.00 0.00 0.00 178.15 178.67 2qf7 h HIS 323 N -0.09 1.10 -0.26 1.37 3.86 -0.58 -1.19 115.15 119.36 2qf7 h HIS 323 Ca -0.01 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2qf7 h HIS 323 Cb 0.07 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 2qf7 h HIS 323 CO -0.07 0.82 0.10 0.82 0.86 0.00 0.00 177.93 180.45 2qf7 h ILE 324 N 1.07 0.94 0.00 2.45 2.04 -0.99 -1.22 117.51 121.81 2qf7 h ILE 324 Ca 0.25 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2qf7 h ILE 324 Cb 0.16 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2qf7 h ILE 324 CO -0.03 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2qf7 h LEU 325 N 0.22 0.00 0.00 1.44 -0.00 -0.99 -0.37 115.31 115.61 2qf7 h LEU 325 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2qf7 h LEU 325 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2qf7 h LEU 325 CO -0.11 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 178.80 2qf7 n ASP 326 N -2.98 0.00 0.00 -0.43 8.00 -0.48 -4.89 116.55 115.77 2qf7 n ASP 326 Ca 0.01 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2qf7 n ASP 326 Cb 0.30 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 0.83 0.77 3.77 0.44 0.00 -0.15 -4.97 105.19 105.88 2qf7 n GLY 327 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.10 2.55 -0.25 4.61 0.00 -0.56 -4.91 121.76 121.10 2qf7 s ALA 328 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 2qf7 s ALA 328 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2qf7 s ALA 328 CO 0.00 -1.08 0.17 0.00 0.00 0.00 0.00 175.76 174.84 2qf7 s ALA 329 N -1.98 3.57 0.20 0.00 0.00 -1.26 -4.57 121.76 117.73 2qf7 s ALA 329 Ca 0.71 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 51.39 2qf7 s ALA 329 Cb -0.24 -2.37 -0.15 0.00 0.00 0.00 0.00 23.12 20.36 2qf7 s ALA 329 CO 0.34 -0.32 1.21 -0.89 0.00 0.00 0.00 175.76 176.10 2qf7 n ILE 330 N 4.56 1.00 0.00 0.00 5.41 -1.26 -1.54 119.36 127.52 2qf7 n ILE 330 Ca -0.15 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2qf7 n ILE 330 Cb 0.52 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 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 1.98 3.39 3.88 7.39 0.00 0.36 -4.84 105.19 117.35 2qf7 n GLY 331 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 4.86 0.29 2.61 -4.23 -0.59 -4.55 115.64 111.20 2qf7 s THR 332 Ca 0.00 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2qf7 s THR 332 Cb 0.00 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.43 2qf7 s THR 332 CO 0.00 -0.29 1.94 -0.65 -0.54 0.00 0.00 174.62 175.08 2qf7 h PRO 333 N 1.89 1.09 0.00 3.99 0.11 -1.89 -2.31 132.00 134.89 2qf7 h PRO 333 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qf7 h PRO 333 Cb 1.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2qf7 h PRO 333 CO 0.66 0.72 0.00 0.00 -0.21 0.00 0.00 178.00 179.17 2qf7 n GLN 334 N -4.44 0.11 0.17 1.05 0.00 -1.26 -1.92 117.38 111.08 2qf7 n GLN 334 Ca 0.12 0.41 0.05 0.00 0.00 0.00 0.00 57.00 57.58 2qf7 n GLN 334 Cb 0.10 -1.73 0.17 0.00 0.00 0.00 0.00 30.24 28.78 2qf7 n GLN 334 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2qf7 h SER 335 N 0.00 0.00 -0.10 2.61 4.64 -1.62 -3.46 113.55 115.63 2qf7 h SER 335 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2qf7 h SER 335 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2qf7 h SER 335 CO 0.00 0.39 -0.04 0.61 -0.87 0.00 0.00 176.83 176.92 2qf7 n GLY 336 N 0.86 0.45 3.01 -0.77 0.00 -0.81 -4.37 105.19 103.56 2qf7 n GLY 336 Ca 0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.72 1.32 0.85 1.61 1.01 -1.26 -4.66 120.40 117.55 2qf7 s VAL 337 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2qf7 s VAL 337 Cb 0.00 -1.24 0.10 0.00 0.00 0.00 0.00 36.38 35.24 2qf7 s VAL 337 CO 0.00 0.41 1.10 -2.84 0.00 0.00 0.00 175.10 173.77 2qf7 s PRO 338 N 1.14 1.64 0.70 2.72 0.02 -1.26 -0.49 135.00 139.47 2qf7 s PRO 338 Ca -0.04 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.02 2qf7 s PRO 338 Cb -0.14 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.57 2qf7 s PRO 338 CO -0.03 -2.08 1.20 -0.80 -0.33 0.00 0.00 177.00 174.96 2qf7 s ASN 339 N -3.18 4.45 0.25 2.53 0.02 -1.26 -4.13 114.94 113.63 2qf7 s ASN 339 Ca 0.63 2.34 -0.05 0.00 -1.02 0.00 0.00 52.86 54.76 2qf7 s ASN 339 Cb -0.19 -2.59 0.50 0.00 0.02 0.00 0.00 41.25 38.99 2qf7 s ASN 339 CO 0.57 -2.09 1.64 -0.61 0.02 0.00 0.00 177.10 176.63 2qf7 h GLN 340 N -0.05 0.14 -0.55 -0.60 5.75 -1.95 0.21 115.11 118.05 2qf7 h GLN 340 Ca -0.48 -0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.17 2qf7 h GLN 340 Cb 1.29 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 2qf7 h GLN 340 CO 0.51 0.09 0.45 1.05 -2.65 0.00 0.00 178.83 178.29 2qf7 h GLU 341 N 0.14 0.00 -0.02 1.69 4.11 -2.00 -0.93 114.58 117.57 2qf7 h GLU 341 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2qf7 h GLU 341 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2qf7 h GLU 341 CO -0.65 0.00 -0.26 -0.25 0.07 0.00 0.00 179.01 177.92 2qf7 n ASP 342 N -4.10 2.35 -4.66 3.06 8.00 0.74 -4.88 116.55 117.06 2qf7 n ASP 342 Ca 0.10 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 2qf7 n ASP 342 Cb 0.68 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 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 -2.27 4.81 0.05 0.53 1.01 -0.35 -4.95 121.20 120.03 2qf7 s ILE 343 Ca 0.23 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2qf7 s ILE 343 Cb 0.19 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2qf7 s ILE 343 CO 0.45 -0.05 -0.07 -0.13 0.00 0.00 0.00 174.94 175.13 2qf7 s ARG 344 N 2.58 0.54 0.05 2.79 0.52 -1.26 -5.02 118.95 119.15 2qf7 s ARG 344 Ca 0.40 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2qf7 s ARG 344 Cb -0.16 -0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 2qf7 s ARG 344 CO 0.10 0.04 0.97 -0.51 0.02 0.00 0.00 175.30 175.92 2qf7 s LEU 345 N -1.69 4.43 -0.30 2.53 1.43 -1.26 -4.35 118.68 119.47 2qf7 s LEU 345 Ca -0.09 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 2qf7 s LEU 345 Cb -0.09 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.65 2qf7 s LEU 345 CO -0.00 -0.16 0.06 0.21 0.23 0.00 0.00 176.35 176.69 2qf7 s ASN 346 N 0.51 4.08 0.29 2.29 2.47 0.73 -5.02 114.94 120.29 2qf7 s ASN 346 Ca 0.49 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 52.15 2qf7 s ASN 346 Cb -0.22 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.52 2qf7 s ASN 346 CO 0.29 -0.37 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 2qf7 n GLY 347 N 4.71 -0.50 3.01 1.21 0.00 -1.26 -4.51 105.19 107.85 2qf7 n GLY 347 Ca -0.03 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.15 0.02 1.61 3.76 0.05 -4.52 115.29 116.36 2qf7 s HIS 348 Ca 0.00 -0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 2qf7 s HIS 348 Cb 0.00 -0.12 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 2qf7 s HIS 348 CO 0.00 -0.20 0.11 0.00 -0.85 0.00 0.00 174.74 173.80 2qf7 s ALA 349 N -1.22 -0.18 0.05 -1.40 0.00 0.31 -1.52 121.76 117.81 2qf7 s ALA 349 Ca -0.13 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2qf7 s ALA 349 Cb -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2qf7 s ALA 349 CO -0.00 -0.25 -0.07 -0.48 0.00 0.00 0.00 175.76 174.96 2qf7 s LEU 350 N -1.70 2.32 0.05 0.00 2.34 -0.58 -1.30 118.68 119.81 2qf7 s LEU 350 Ca -0.11 -0.67 0.04 0.00 0.06 0.00 0.00 54.13 53.45 2qf7 s LEU 350 Cb -0.05 -0.11 -0.02 0.00 -0.56 0.00 0.00 46.19 45.44 2qf7 s LEU 350 CO -0.01 -0.29 -0.11 0.00 -1.06 0.00 0.00 176.35 174.88 2qf7 s GLN 351 N -2.19 0.69 0.08 1.48 -2.07 -0.16 -0.83 119.66 116.66 2qf7 s GLN 351 Ca -0.05 -0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 52.61 2qf7 s GLN 351 Cb -0.06 -0.59 0.01 0.00 -1.09 0.00 0.00 33.01 31.28 2qf7 s GLN 351 CO -0.01 0.13 0.24 0.00 -1.32 0.00 0.00 175.29 174.33 2qf7 s ARG 353 N -3.45 4.04 -0.13 0.00 0.52 -1.26 -1.05 118.95 117.63 2qf7 s ARG 353 Ca 0.02 -0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 2qf7 s ARG 353 Cb 0.03 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 2qf7 s ARG 353 CO -0.09 0.09 0.45 0.08 0.02 0.00 0.00 175.30 175.85 2qf7 s VAL 354 N 0.96 5.20 0.28 3.52 1.01 0.24 -4.99 120.40 126.61 2qf7 s VAL 354 Ca 0.07 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.96 2qf7 s VAL 354 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2qf7 s VAL 354 CO 0.03 0.32 0.14 0.42 0.00 0.00 0.00 175.10 176.01 2qf7 s THR 355 N 0.72 0.36 -1.40 3.92 -4.23 -1.26 0.31 115.64 114.07 2qf7 s THR 355 Ca 0.24 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2qf7 s THR 355 Cb -0.15 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.46 2qf7 s THR 355 CO 0.09 0.00 1.15 0.35 -0.54 0.00 0.00 174.62 175.67 2qf7 n THR 356 N -0.51 0.78 -1.84 3.99 -2.24 -0.81 -1.91 114.28 111.74 2qf7 n THR 356 Ca 0.01 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2qf7 n THR 356 Cb 0.65 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 3.71 -0.53 -0.78 2.02 -1.26 0.33 118.70 120.54 2qf7 s GLU 357 Ca 0.22 2.05 -0.23 0.00 0.02 0.00 0.00 54.97 57.04 2qf7 s GLU 357 Cb 0.14 -4.17 0.04 0.00 0.10 0.00 0.00 34.13 30.25 2qf7 s GLU 357 CO 0.11 -1.42 0.84 0.34 0.02 0.00 0.00 175.26 175.15 2qf7 s ASP 358 N 5.42 6.32 0.59 -0.19 -1.08 -0.95 -2.85 116.67 123.94 2qf7 s ASP 358 Ca 0.85 -0.47 0.30 0.00 -0.52 0.00 0.00 52.55 52.71 2qf7 s ASP 358 Cb -0.32 -2.39 1.80 0.00 -1.46 0.00 0.00 42.92 40.54 2qf7 s ASP 358 CO 0.34 -1.10 2.21 -0.65 0.52 0.00 0.00 175.17 176.49 2qf7 h PRO 359 N 9.19 0.00 -0.01 4.34 0.11 -1.91 0.87 132.00 144.60 2qf7 h PRO 359 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2qf7 h PRO 359 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qf7 h PRO 359 CO 1.04 0.00 -0.13 0.39 -0.21 0.00 0.00 178.00 179.09 2qf7 n GLU 360 N -3.80 0.96 -2.62 1.05 -0.58 -1.26 -3.84 120.64 110.55 2qf7 n GLU 360 Ca -0.02 -0.45 -0.15 0.00 -0.42 0.00 0.00 57.16 56.11 2qf7 n GLU 360 Cb 0.15 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.55 2qf7 n GLU 360 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2qf7 n HIS 361 N -0.62 1.92 -1.71 -0.32 -0.00 0.08 -4.96 115.22 109.61 2qf7 n HIS 361 Ca 0.15 -2.94 -0.15 0.00 0.46 0.00 0.00 57.72 55.24 2qf7 n HIS 361 Cb 0.30 -0.28 -0.05 0.00 -0.12 0.00 0.00 29.99 29.84 2qf7 n HIS 361 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2qf7 n ASN 362 N -0.19 -4.12 -0.42 0.26 6.94 -1.20 -1.85 115.26 114.68 2qf7 n ASN 362 Ca 0.20 0.31 -0.06 0.00 -0.02 0.00 0.00 54.58 55.01 2qf7 n ASN 362 Cb 0.76 -3.69 -0.02 0.00 -2.36 0.00 0.00 39.78 34.46 2qf7 n ASN 362 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2qf7 n PHE 363 N -2.43 0.00 -1.92 -2.53 3.72 0.05 -4.99 117.46 109.36 2qf7 n PHE 363 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 2qf7 n PHE 363 Cb 0.53 -1.41 -0.03 0.00 -0.94 0.00 0.00 39.48 37.63 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 -2.05 2.78 0.27 4.37 1.01 -0.77 -4.31 121.20 122.50 2qf7 s ILE 364 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 2qf7 s ILE 364 Cb 0.00 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 2qf7 s ILE 364 CO 0.00 0.02 1.35 -2.84 0.00 0.00 0.00 174.94 173.47 2qf7 s PRO 365 N 1.78 4.34 0.51 2.79 0.02 -1.26 -2.25 135.00 140.93 2qf7 s PRO 365 Ca 0.72 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.82 2qf7 s PRO 365 Cb -0.42 -3.12 -0.06 0.00 0.02 0.00 0.00 34.50 30.92 2qf7 s PRO 365 CO 0.32 -0.28 0.91 0.34 -0.33 0.00 0.00 177.00 177.96 2qf7 s ASP 366 N 0.03 6.42 0.11 2.53 2.15 0.15 -4.92 116.67 123.15 2qf7 s ASP 366 Ca 0.55 1.31 -0.05 0.00 0.43 0.00 0.00 52.55 54.79 2qf7 s ASP 366 Cb -0.40 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 39.79 2qf7 s ASP 366 CO 0.45 -0.62 0.12 -0.72 -0.17 0.00 0.00 175.17 174.23 2qf7 s TYR 367 N -2.75 0.49 -2.23 -5.34 1.13 -1.26 -4.78 117.35 102.61 2qf7 s TYR 367 Ca 0.54 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 2qf7 s TYR 367 Cb -0.10 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2qf7 s TYR 367 CO 0.40 -0.54 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 2qf7 n GLY 368 N -0.06 0.67 3.70 5.49 0.00 -0.49 -4.93 105.19 109.57 2qf7 n GLY 368 Ca -0.10 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.89 4.43 -0.18 1.61 3.52 -1.26 -0.36 118.95 125.82 2qf7 s ARG 369 Ca 0.00 1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.91 2qf7 s ARG 369 Cb 0.00 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 2qf7 s ARG 369 CO 0.00 -0.29 1.00 0.42 -0.81 0.00 0.00 175.30 175.62 2qf7 s ILE 370 N 1.64 4.74 -0.16 4.11 1.01 0.94 -4.26 121.20 129.22 2qf7 s ILE 370 Ca 0.54 1.99 0.22 0.00 0.00 0.00 0.00 60.65 63.40 2qf7 s ILE 370 Cb -0.24 -4.29 -0.13 0.00 0.01 0.00 0.00 42.46 37.81 2qf7 s ILE 370 CO 0.24 -0.09 0.82 0.35 0.00 0.00 0.00 174.94 176.27 2qf7 n THR 371 N 4.97 0.48 -3.70 2.92 -2.24 0.34 0.92 114.28 117.96 2qf7 n THR 371 Ca 0.10 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2qf7 n THR 371 Cb 0.47 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.34 2qf7 n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qf7 s ALA 372 N -3.37 -1.08 -0.11 6.98 0.00 -1.17 -4.61 121.76 118.39 2qf7 s ALA 372 Ca -0.03 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 2qf7 s ALA 372 Cb 0.11 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.37 2qf7 s ALA 372 CO 0.83 -0.26 0.10 -0.47 0.00 0.00 0.00 175.76 175.96 2qf7 s TYR 373 N 1.24 0.05 -0.09 0.00 5.04 -1.25 -0.46 117.35 121.87 2qf7 s TYR 373 Ca -0.08 0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 2qf7 s TYR 373 Cb -0.07 -0.52 0.03 0.00 0.35 0.00 0.00 41.96 41.74 2qf7 s TYR 373 CO -0.11 -0.37 -0.02 1.03 -1.34 0.00 0.00 175.55 174.74 2qf7 s ARG 374 N 2.19 0.93 0.74 4.97 0.52 0.29 -4.45 118.95 124.14 2qf7 s ARG 374 Ca 0.04 -0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 2qf7 s ARG 374 Cb -0.14 -1.22 0.07 0.00 0.52 0.00 0.00 34.95 34.18 2qf7 s ARG 374 CO -0.07 -0.30 1.07 -1.54 0.02 0.00 0.00 175.30 174.49 2qf7 s SER 375 N 1.88 4.72 -0.07 0.23 1.04 -1.26 -1.01 113.70 119.22 2qf7 s SER 375 Ca 0.05 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.08 2qf7 s SER 375 Cb -0.12 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.83 2qf7 s SER 375 CO -0.06 -1.70 -0.11 0.00 0.98 0.00 0.00 173.24 172.35 2qf7 s ALA 376 N -3.36 1.22 0.00 5.32 0.00 -1.26 -4.84 121.76 118.84 2qf7 s ALA 376 Ca 0.61 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2qf7 s ALA 376 Cb -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2qf7 s ALA 376 CO 0.46 0.02 0.00 0.43 0.00 0.00 0.00 175.76 176.68 2qf7 n SER 377 N 4.00 0.00 0.00 0.00 7.64 -1.26 -4.93 113.62 119.08 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 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 4.83 -2.07 3.70 0.23 0.00 -1.26 -4.71 105.19 105.91 2qf7 n GLY 378 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.14 2.82 0.00 1.61 5.36 -1.26 -2.91 117.98 123.45 2qf7 s PHE 379 Ca 0.00 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 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 -3.33 0.00 0.41 -1.46 0.00 0.00 175.22 170.84 2qf7 n GLY 380 N 3.80 0.58 3.47 13.12 0.00 -1.26 -4.94 105.19 119.95 2qf7 n GLY 380 Ca 0.14 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.57 -0.03 -0.61 -1.09 -1.15 -0.29 121.20 119.60 2qf7 s ILE 381 Ca 0.00 -0.48 0.07 0.00 -2.23 0.00 0.00 60.65 58.00 2qf7 s ILE 381 Cb 0.00 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 2qf7 s ILE 381 CO 0.00 0.52 -0.23 -0.60 -1.23 0.00 0.00 174.94 173.40 2qf7 s ARG 382 N 0.17 2.28 -0.06 2.79 3.52 0.22 -4.73 118.95 123.15 2qf7 s ARG 382 Ca -0.04 -0.88 0.06 0.00 -0.13 0.00 0.00 55.73 54.74 2qf7 s ARG 382 Cb -0.14 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 2qf7 s ARG 382 CO 0.04 0.54 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.31 2qf7 s LEU 383 N -0.54 2.13 -0.42 -0.88 1.43 -1.26 -1.08 118.68 118.06 2qf7 s LEU 383 Ca 0.08 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2qf7 s LEU 383 Cb -0.11 -1.39 0.13 0.00 0.03 0.00 0.00 46.19 44.85 2qf7 s LEU 383 CO 0.00 0.25 0.21 -1.81 0.23 0.00 0.00 176.35 175.24 2qf7 s ASP 384 N -0.22 3.81 0.00 2.29 1.01 -0.28 -4.98 116.67 118.30 2qf7 s ASP 384 Ca -0.02 -2.50 0.00 0.00 0.71 0.00 0.00 52.55 50.74 2qf7 s ASP 384 Cb -0.13 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 42.71 2qf7 s ASP 384 CO 0.03 -0.29 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2qf7 n GLY 385 N 3.71 2.19 1.28 0.21 0.00 -1.26 -1.15 105.19 110.18 2qf7 n GLY 385 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.01 0.94 0.04 -0.02 0.00 -1.26 -4.43 105.19 102.47 2qf7 n GLY 386 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.53 -4.03 2.61 -2.24 -1.26 -4.73 114.28 103.16 2qf7 n THR 387 Ca 0.00 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2qf7 n THR 387 Cb 0.00 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 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 -4.36 5.79 0.02 3.42 0.01 -1.26 -4.70 113.70 112.62 2qf7 s SER 388 Ca -0.07 0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.02 2qf7 s SER 388 Cb 0.07 -1.65 0.10 0.00 0.21 0.00 0.00 66.02 64.75 2qf7 s SER 388 CO 0.64 0.20 0.97 -0.72 0.41 0.00 0.00 173.24 174.74 2qf7 s TYR 389 N -1.36 -0.24 0.06 2.43 -0.85 -1.26 -5.04 117.35 111.08 2qf7 s TYR 389 Ca 0.29 0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.60 2qf7 s TYR 389 Cb -0.12 0.57 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 2qf7 s TYR 389 CO 0.21 -0.57 1.90 -1.12 -1.52 0.00 0.00 175.55 174.45 2qf7 s SER 390 N -2.62 6.46 0.00 -0.18 0.01 -1.26 -1.41 113.70 114.70 2qf7 s SER 390 Ca 0.08 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.02 2qf7 s SER 390 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2qf7 s SER 390 CO -0.05 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2qf7 n GLY 391 N 4.41 0.15 3.76 3.44 0.00 0.26 -4.99 105.19 112.22 2qf7 n GLY 391 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2qf7 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf7 s ALA 392 N -2.04 2.96 -0.20 4.61 0.00 -0.50 -4.68 121.76 121.92 2qf7 s ALA 392 Ca 0.00 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 2qf7 s ALA 392 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2qf7 s ALA 392 CO 0.00 -1.19 0.05 0.42 0.00 0.00 0.00 175.76 175.04 2qf7 s ILE 393 N -1.31 4.48 -0.26 0.00 1.09 -1.26 -0.04 121.20 123.90 2qf7 s ILE 393 Ca 0.67 -0.13 -0.23 0.00 -1.10 0.00 0.00 60.65 59.86 2qf7 s ILE 393 Cb -0.39 -3.03 -0.01 0.00 -1.06 0.00 0.00 42.46 37.96 2qf7 s ILE 393 CO 0.48 0.42 0.76 -0.63 -0.10 0.00 0.00 174.94 175.87 2qf7 s ILE 394 N 0.78 4.88 0.45 2.92 -1.09 0.52 -4.92 121.20 124.73 2qf7 s ILE 394 Ca 0.03 1.35 0.07 0.00 -2.23 0.00 0.00 60.65 59.87 2qf7 s ILE 394 Cb -0.14 -4.06 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 2qf7 s ILE 394 CO 0.02 -0.08 0.61 0.42 -1.23 0.00 0.00 174.94 174.69 2qf7 s THR 395 N 2.76 2.91 -2.26 2.92 -4.23 -1.26 -1.39 115.64 115.09 2qf7 s THR 395 Ca 0.32 -0.94 0.28 0.00 -1.18 0.00 0.00 61.69 60.16 2qf7 s THR 395 Cb -0.15 -2.97 0.66 0.00 1.34 0.00 0.00 72.50 71.38 2qf7 s THR 395 CO 0.09 0.00 1.88 -1.14 -0.54 0.00 0.00 174.62 174.91 2qf7 n ARG 396 N -1.95 1.39 0.09 3.99 0.00 -1.26 -4.47 116.66 114.44 2qf7 n ARG 396 Ca 0.08 -0.57 -0.14 0.00 -0.00 0.00 0.00 57.85 57.23 2qf7 n ARG 396 Cb 0.59 -1.46 -0.08 0.00 0.00 0.00 0.00 32.46 31.52 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 1.33 0.51 -4.68 -0.14 0.05 -1.99 -3.47 116.97 108.58 2qf7 h TYR 397 Ca 0.00 -0.31 -0.49 0.00 0.05 0.00 0.00 58.73 57.98 2qf7 h TYR 397 Cb 0.28 -0.04 -0.11 0.00 1.01 0.00 0.00 36.73 37.88 2qf7 h TYR 397 CO 0.01 1.17 -0.40 0.66 -1.05 0.00 0.00 178.16 178.55 2qf7 n TYR 398 N -3.64 0.25 -1.63 4.88 4.01 -1.26 -4.81 117.16 114.95 2qf7 n TYR 398 Ca -0.07 -2.24 -0.45 0.00 -0.16 0.00 0.00 57.90 54.98 2qf7 n TYR 398 Cb 0.91 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.87 2qf7 n TYR 398 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2qf7 n ASP 399 N -1.55 2.04 -2.13 7.72 8.00 -1.26 -4.85 116.55 124.52 2qf7 n ASP 399 Ca -0.07 1.17 -0.20 0.00 0.71 0.00 0.00 54.79 56.40 2qf7 n ASP 399 Cb 0.53 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.25 2qf7 n ASP 399 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2qf7 n PRO 400 N 1.25 2.03 -2.56 -0.24 -0.04 -1.26 -4.94 135.00 129.23 2qf7 n PRO 400 Ca 0.10 -1.76 -0.41 0.00 -0.04 0.00 0.00 63.50 61.38 2qf7 n PRO 400 Cb 0.31 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.72 4.44 -0.26 1.53 2.96 -1.26 -1.92 118.68 122.45 2qf7 s LEU 401 Ca 0.44 1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 2qf7 s LEU 401 Cb 0.30 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.26 2qf7 s LEU 401 CO -0.09 -0.26 -0.19 0.18 -1.32 0.00 0.00 176.35 174.66 2qf7 n LEU 402 N 3.08 1.93 -3.58 -0.68 4.77 0.15 -4.94 117.00 117.73 2qf7 n LEU 402 Ca 0.05 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 2qf7 n LEU 402 Cb 0.47 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 2qf7 n LEU 402 CO 0.53 0.46 0.74 0.54 -1.33 0.00 0.00 177.39 178.34 2qf7 s VAL 403 N -2.47 0.00 -0.20 4.08 0.11 -1.13 -4.21 120.40 116.58 2qf7 s VAL 403 Ca -0.36 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 2qf7 s VAL 403 Cb 0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2qf7 s VAL 403 CO 0.52 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.81 2qf7 s LYS 404 N -1.00 3.89 -0.10 1.54 1.02 -0.30 -0.60 119.74 124.19 2qf7 s LYS 404 Ca -0.02 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.60 2qf7 s LYS 404 Cb -0.01 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2qf7 s LYS 404 CO 0.02 0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.55 2qf7 s VAL 405 N 0.71 3.12 -0.10 3.17 1.01 -0.21 -1.13 120.40 126.97 2qf7 s VAL 405 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2qf7 s VAL 405 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2qf7 s VAL 405 CO 0.02 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.59 2qf7 s THR 406 N -0.01 1.64 -0.03 3.92 2.01 -0.24 -1.25 115.64 121.68 2qf7 s THR 406 Ca -0.03 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.25 2qf7 s THR 406 Cb -0.14 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 2qf7 s THR 406 CO 0.04 0.47 -0.14 0.00 -0.69 0.00 0.00 174.62 174.29 2qf7 s ALA 407 N 0.68 2.67 0.01 7.40 0.00 -0.01 -0.61 121.76 131.90 2qf7 s ALA 407 Ca -0.13 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 50.88 2qf7 s ALA 407 Cb -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2qf7 s ALA 407 CO 0.03 0.56 -0.18 -0.46 0.00 0.00 0.00 175.76 175.72 2qf7 s TRP 408 N -0.78 1.57 0.20 0.00 -0.00 0.60 -1.52 118.94 119.01 2qf7 s TRP 408 Ca 0.12 -0.32 -0.16 0.00 -0.00 0.00 0.00 56.10 55.74 2qf7 s TRP 408 Cb -0.11 -0.99 0.02 0.00 -0.00 0.00 0.00 33.47 32.40 2qf7 s TRP 408 CO 0.02 0.01 0.49 0.00 -0.00 0.00 0.00 176.95 177.47 2qf7 s ALA 409 N -0.55 -0.76 0.47 5.86 0.00 -0.57 -4.66 121.76 121.55 2qf7 s ALA 409 Ca 0.06 -0.37 0.33 0.00 0.00 0.00 0.00 51.96 51.97 2qf7 s ALA 409 Cb -0.07 0.87 1.74 0.00 0.00 0.00 0.00 23.12 25.66 2qf7 s ALA 409 CO 0.00 -0.80 2.17 -1.35 0.00 0.00 0.00 175.76 175.78 2qf7 h PRO 410 N 2.24 0.00 -4.76 0.00 0.11 -1.93 0.18 132.00 127.84 2qf7 h PRO 410 Ca -0.28 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.51 2qf7 h PRO 410 Cb 1.26 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.14 2qf7 h PRO 410 CO 0.38 0.06 -0.75 0.54 -0.21 0.00 0.00 178.00 178.02 2qf7 s ASN 411 N -5.87 1.06 0.36 -2.05 4.22 -1.26 -4.38 114.94 107.02 2qf7 s ASN 411 Ca -0.03 -0.52 0.07 0.00 -2.14 0.00 0.00 52.86 50.23 2qf7 s ASN 411 Cb 0.13 0.00 0.70 0.00 1.28 0.00 0.00 41.25 43.36 2qf7 s ASN 411 CO 0.53 -0.14 1.91 1.55 -2.04 0.00 0.00 177.10 178.92 2qf7 h PRO 412 N 4.61 0.42 -0.31 3.55 0.13 -1.91 -1.59 132.00 136.91 2qf7 h PRO 412 Ca -0.36 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2qf7 h PRO 412 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2qf7 h PRO 412 CO 0.41 0.46 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.36 2qf7 h LEU 413 N 0.41 0.72 -0.82 1.56 3.38 -1.97 -2.04 115.31 116.54 2qf7 h LEU 413 Ca 0.09 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2qf7 h LEU 413 Cb 0.30 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2qf7 h LEU 413 CO 0.01 1.01 0.52 -0.08 0.09 0.00 0.00 178.44 179.99 2qf7 h GLU 414 N 0.44 0.96 -0.83 1.13 4.81 -1.91 -1.42 114.58 117.76 2qf7 h GLU 414 Ca 0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2qf7 h GLU 414 Cb 0.77 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2qf7 h GLU 414 CO 0.06 0.64 0.54 0.00 -0.73 0.00 0.00 179.01 179.51 2qf7 h ALA 415 N 1.36 1.08 0.02 2.92 0.00 -1.09 -0.05 119.26 123.49 2qf7 h ALA 415 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2qf7 h ALA 415 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qf7 h ALA 415 CO -0.13 0.40 -0.05 0.82 0.00 0.00 0.00 179.25 180.28 2qf7 h ILE 416 N 1.07 0.87 -0.60 0.00 2.04 -0.93 -0.01 117.51 119.94 2qf7 h ILE 416 Ca 0.32 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.24 2qf7 h ILE 416 Cb -0.04 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2qf7 h ILE 416 CO -0.10 0.00 0.40 0.77 0.00 0.00 0.00 178.15 179.22 2qf7 h SER 417 N -0.11 0.51 -0.02 1.72 4.64 -0.91 0.15 113.55 119.53 2qf7 h SER 417 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2qf7 h SER 417 Cb 0.12 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qf7 h SER 417 CO -0.04 0.33 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.14 2qf7 h ARG 418 N 0.58 0.05 -0.60 4.77 2.43 -0.66 -1.00 114.38 119.95 2qf7 h ARG 418 Ca 0.26 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2qf7 h ARG 418 Cb 0.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 2qf7 h ARG 418 CO -0.08 0.52 0.30 1.98 -1.51 0.00 0.00 179.97 181.18 2qf7 h MET 419 N -0.42 0.53 -0.40 0.20 4.05 -0.55 -1.66 114.93 116.69 2qf7 h MET 419 Ca 0.00 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2qf7 h MET 419 Cb 0.51 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 2qf7 h MET 419 CO 0.00 0.35 0.17 0.22 0.23 0.00 0.00 176.91 177.89 2qf7 h ASP 420 N 0.55 0.54 -0.05 1.39 3.58 -0.66 -0.23 116.42 121.55 2qf7 h ASP 420 Ca 0.28 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2qf7 h ASP 420 Cb 0.22 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2qf7 h ASP 420 CO -0.20 0.54 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.60 2qf7 h ARG 421 N 0.50 0.01 -0.10 0.28 1.12 -1.03 -1.85 114.38 113.30 2qf7 h ARG 421 Ca 0.13 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2qf7 h ARG 421 Cb 0.16 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2qf7 h ARG 421 CO -0.01 0.00 0.06 0.00 -3.11 0.00 0.00 179.97 176.91 2qf7 h ALA 422 N 1.04 0.12 -0.59 2.80 0.00 -1.06 -0.42 119.26 121.16 2qf7 h ALA 422 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2qf7 h ALA 422 Cb 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2qf7 h ALA 422 CO -0.04 -0.38 0.31 -0.07 0.00 0.00 0.00 179.25 179.08 2qf7 h LEU 423 N 0.12 0.46 -1.39 0.00 3.38 -1.00 -1.48 115.31 115.40 2qf7 h LEU 423 Ca 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2qf7 h LEU 423 Cb 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qf7 h LEU 423 CO -0.01 0.31 -0.14 0.03 0.09 0.00 0.00 178.44 178.72 2qf7 h ARG 424 N 0.60 0.00 0.00 1.13 3.08 -1.04 -3.05 114.38 115.09 2qf7 h ARG 424 Ca 0.26 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 2qf7 h ARG 424 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2qf7 h ARG 424 CO -0.17 0.14 -0.62 1.49 -1.07 0.00 0.00 179.97 179.74 2qf7 h GLU 425 N 0.00 0.00 -6.80 0.04 4.81 -0.19 -3.47 114.58 108.97 2qf7 h GLU 425 Ca -0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 2qf7 h GLU 425 Cb 0.59 0.00 0.17 0.00 0.63 0.00 0.00 28.75 30.14 2qf7 h GLU 425 CO 0.02 0.46 0.04 1.19 -0.73 0.00 0.00 179.01 179.99 2qf7 n PHE 426 N -3.17 0.55 -3.79 0.92 3.01 -0.64 -4.78 117.46 109.56 2qf7 n PHE 426 Ca 0.01 0.43 -0.29 0.00 1.01 0.00 0.00 57.45 58.60 2qf7 n PHE 426 Cb 0.74 -2.10 -0.16 0.00 -0.01 0.00 0.00 39.48 37.95 2qf7 n PHE 426 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2qf7 s ARG 427 N -2.75 0.94 -0.13 -1.08 3.52 -0.18 -5.01 118.95 114.27 2qf7 s ARG 427 Ca 0.75 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2qf7 s ARG 427 Cb -0.41 -2.24 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2qf7 s ARG 427 CO 0.48 -0.70 -0.17 0.42 -0.81 0.00 0.00 175.30 174.52 2qf7 s ILE 428 N 1.67 1.71 0.11 4.11 1.01 -1.26 -0.55 121.20 128.00 2qf7 s ILE 428 Ca -0.00 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2qf7 s ILE 428 Cb -0.18 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2qf7 s ILE 428 CO -0.11 0.48 -0.17 -0.13 0.00 0.00 0.00 174.94 175.02 2qf7 s ARG 429 N 1.05 1.03 0.00 2.79 1.81 0.39 -4.83 118.95 121.18 2qf7 s ARG 429 Ca -0.04 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 2qf7 s ARG 429 Cb -0.15 -1.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.28 2qf7 s ARG 429 CO -0.04 0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 2qf7 n GLY 430 N 0.87 2.87 3.12 -3.53 0.00 -1.26 -0.51 105.19 106.75 2qf7 n GLY 430 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.66 0.75 0.66 1.61 -7.23 -1.26 -4.64 120.40 107.62 2qf7 s VAL 431 Ca 0.00 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 2qf7 s VAL 431 Cb 0.00 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 2qf7 s VAL 431 CO 0.00 -0.45 1.06 0.00 -0.31 0.00 0.00 175.10 175.41 2qf7 s ALA 432 N -1.85 2.65 0.21 1.32 0.00 -1.26 -5.01 121.76 117.82 2qf7 s ALA 432 Ca -0.03 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 2qf7 s ALA 432 Cb -0.07 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2qf7 s ALA 432 CO 0.00 -1.10 0.10 0.95 0.00 0.00 0.00 175.76 175.71 2qf7 s THR 433 N -2.73 0.23 -0.60 0.00 -4.23 -1.26 -4.20 115.64 102.84 2qf7 s THR 433 Ca 0.61 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2qf7 s THR 433 Cb -0.16 -2.46 0.56 0.00 1.34 0.00 0.00 72.50 71.78 2qf7 s THR 433 CO 0.46 -0.09 1.36 -0.46 -0.54 0.00 0.00 174.62 175.35 2qf7 n ASN 434 N -0.31 4.15 -0.35 3.99 6.94 -0.80 -4.45 115.26 124.43 2qf7 n ASN 434 Ca -0.00 -2.59 -0.03 0.00 -0.02 0.00 0.00 54.58 51.94 2qf7 n ASN 434 Cb 0.66 -0.61 0.10 0.00 -2.36 0.00 0.00 39.78 37.57 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 2.77 1.08 -1.10 -4.53 3.38 -1.88 -1.12 115.31 113.91 2qf7 h LEU 435 Ca 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2qf7 h LEU 435 Cb 1.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2qf7 h LEU 435 CO 0.31 0.79 -0.40 0.71 0.09 0.00 0.00 178.44 179.94 2qf7 h THR 436 N 1.28 1.10 -0.06 0.22 1.35 -1.98 -1.08 112.91 113.73 2qf7 h THR 436 Ca 0.34 -1.47 -0.04 0.00 -0.55 0.00 0.00 66.41 64.69 2qf7 h THR 436 Cb -0.14 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2qf7 h THR 436 CO -0.07 0.39 -0.12 0.15 -0.25 0.00 0.00 175.52 175.62 2qf7 h PHE 437 N 0.00 0.24 -0.47 4.73 3.57 -1.66 -0.77 116.94 122.59 2qf7 h PHE 437 Ca -0.00 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.47 2qf7 h PHE 437 Cb 0.80 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2qf7 h PHE 437 CO 0.00 0.71 0.17 -0.07 -2.23 0.00 0.00 178.31 176.88 2qf7 h LEU 438 N -0.29 0.17 -0.89 0.59 3.38 -0.99 -1.57 115.31 115.71 2qf7 h LEU 438 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qf7 h LEU 438 Cb 0.69 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2qf7 h LEU 438 CO 0.03 0.13 0.56 -0.33 0.09 0.00 0.00 178.44 178.91 2qf7 h GLU 439 N 0.34 1.20 -0.65 1.13 5.08 -1.19 -2.15 114.58 118.34 2qf7 h GLU 439 Ca 0.22 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2qf7 h GLU 439 Cb 0.22 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2qf7 h GLU 439 CO -0.23 0.82 0.16 0.00 -1.00 0.00 0.00 179.01 178.76 2qf7 h ALA 440 N 1.31 1.05 0.45 3.43 0.00 -0.69 -1.06 119.26 123.73 2qf7 h ALA 440 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qf7 h ALA 440 Cb -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2qf7 h ALA 440 CO -0.06 0.63 -0.21 0.82 0.00 0.00 0.00 179.25 180.42 2qf7 h ILE 441 N 0.98 0.53 0.00 0.00 2.04 -0.92 -2.42 117.51 117.72 2qf7 h ILE 441 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2qf7 h ILE 441 Cb 0.35 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2qf7 h ILE 441 CO 0.00 0.05 -0.11 0.16 0.00 0.00 0.00 178.15 178.25 2qf7 h ILE 442 N -0.79 0.30 -0.01 -0.67 3.07 -1.41 -1.86 117.51 116.15 2qf7 h ILE 442 Ca -0.06 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2qf7 h ILE 442 Cb 0.55 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2qf7 h ILE 442 CO 0.10 0.11 -0.06 0.61 -1.05 0.00 0.00 178.15 177.86 2qf7 n GLY 443 N 0.03 -0.74 3.73 0.16 0.00 -0.41 -4.61 105.19 103.36 2qf7 n GLY 443 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.27 3.69 0.33 1.61 2.46 -0.70 -4.95 115.29 115.47 2qf7 s HIS 444 Ca 0.35 1.69 0.12 0.00 0.47 0.00 0.00 55.06 57.69 2qf7 s HIS 444 Cb 0.21 -3.18 1.01 0.00 -0.13 0.00 0.00 32.58 30.49 2qf7 s HIS 444 CO 0.42 -0.26 1.68 -1.35 -2.47 0.00 0.00 174.74 172.76 2qf7 h PRO 445 N 5.25 0.37 -0.00 2.88 0.11 -1.91 -1.36 132.00 137.35 2qf7 h PRO 445 Ca -0.44 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2qf7 h PRO 445 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2qf7 h PRO 445 CO 0.72 0.25 -0.72 0.87 -0.21 0.00 0.00 178.00 178.91 2qf7 h LYS 446 N 0.38 0.02 -0.58 1.05 1.57 -1.93 -1.49 116.57 115.59 2qf7 h LYS 446 Ca 0.70 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.37 2qf7 h LYS 446 Cb 1.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 2qf7 h LYS 446 CO -0.58 0.73 0.01 0.35 -0.57 0.00 0.00 179.45 179.40 2qf7 h PHE 447 N 0.01 1.10 -0.28 -1.35 3.57 -1.53 -1.82 116.94 116.64 2qf7 h PHE 447 Ca -0.01 -0.19 -0.13 0.00 3.53 0.00 0.00 57.97 61.17 2qf7 h PHE 447 Cb 1.28 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2qf7 h PHE 447 CO 0.00 0.98 -0.37 0.00 -2.23 0.00 0.00 178.31 176.70 2qf7 h ARG 448 N 0.91 0.65 -0.47 1.11 3.08 -1.06 -2.95 114.38 115.64 2qf7 h ARG 448 Ca 0.17 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2qf7 h ARG 448 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qf7 h ARG 448 CO 0.03 0.91 0.00 -0.40 -1.07 0.00 0.00 179.97 179.44 2qf7 n ASP 449 N -4.05 3.01 -1.89 7.04 5.68 -0.59 -4.96 116.55 120.80 2qf7 n ASP 449 Ca -0.01 -1.95 -0.17 0.00 -0.50 0.00 0.00 54.79 52.15 2qf7 n ASP 449 Cb 0.50 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.16 2qf7 n ASP 449 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qf7 n ASN 450 N 1.16 -5.03 -1.35 -1.12 5.03 -0.75 -4.88 115.26 108.32 2qf7 n ASN 450 Ca 0.19 0.03 0.12 0.00 0.87 0.00 0.00 54.58 55.79 2qf7 n ASN 450 Cb 0.50 -4.12 0.32 0.00 -1.02 0.00 0.00 39.78 35.46 2qf7 n ASN 450 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2qf7 n SER 451 N -1.22 3.94 -4.87 6.41 3.41 -0.81 -4.82 113.62 115.68 2qf7 n SER 451 Ca -0.20 -2.00 -0.31 0.00 -0.26 0.00 0.00 58.87 56.10 2qf7 n SER 451 Cb 0.64 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.02 3.58 0.49 7.33 -0.85 -1.24 -5.04 117.35 120.59 2qf7 s TYR 452 Ca 0.49 1.29 0.01 0.00 -0.52 0.00 0.00 57.07 58.34 2qf7 s TYR 452 Cb 0.25 -2.75 0.01 0.00 0.38 0.00 0.00 41.96 39.86 2qf7 s TYR 452 CO 0.33 -0.75 0.06 0.25 -1.52 0.00 0.00 175.55 173.92 2qf7 n THR 453 N -2.79 0.00 0.24 -3.49 -2.24 -1.26 -4.87 114.28 99.86 2qf7 n THR 453 Ca 0.06 -2.24 0.13 0.00 -2.27 0.00 0.00 64.05 59.73 2qf7 n THR 453 Cb 0.54 0.37 0.69 0.00 -2.10 0.00 0.00 70.33 69.83 2qf7 n THR 453 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2qf7 h THR 454 N 1.15 0.00 -0.29 4.28 1.35 -1.02 -1.90 112.91 116.47 2qf7 h THR 454 Ca -0.39 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qf7 h THR 454 Cb 1.21 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2qf7 h THR 454 CO 0.64 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.45 2qf7 n ARG 455 N -2.43 2.05 0.15 4.72 1.74 -1.26 -4.53 116.66 117.10 2qf7 n ARG 455 Ca -0.01 -1.60 -0.14 0.00 -0.77 0.00 0.00 57.85 55.33 2qf7 n ARG 455 Cb 0.08 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 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 3.07 -0.27 -0.14 -1.55 3.57 -1.63 -2.13 116.94 117.84 2qf7 h PHE 456 Ca 0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2qf7 h PHE 456 Cb 0.68 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2qf7 h PHE 456 CO 0.19 -0.16 -0.19 0.82 -2.23 0.00 0.00 178.31 176.74 2qf7 h ILE 457 N -0.30 1.36 0.00 1.41 2.04 -1.82 -2.57 117.51 117.63 2qf7 h ILE 457 Ca -0.03 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2qf7 h ILE 457 Cb 0.23 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2qf7 h ILE 457 CO 0.05 0.41 0.00 0.44 0.00 0.00 0.00 178.15 179.05 2qf7 h ASP 458 N -0.00 0.00 0.00 1.72 3.32 -1.74 -2.39 116.42 117.32 2qf7 h ASP 458 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2qf7 h ASP 458 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2qf7 h ASP 458 CO 0.04 0.00 -0.04 0.35 -1.72 0.00 0.00 179.24 177.88 2qf7 n THR 459 N -2.46 1.50 -3.95 0.35 -2.24 -0.81 -4.93 114.28 101.74 2qf7 n THR 459 Ca -0.00 -1.75 -0.30 0.00 -2.27 0.00 0.00 64.05 59.72 2qf7 n THR 459 Cb 0.13 0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.16 2.32 0.31 4.28 2.01 -0.90 -4.99 115.64 116.51 2qf7 s THR 460 Ca 0.22 -2.86 0.03 0.00 0.31 0.00 0.00 61.69 59.38 2qf7 s THR 460 Cb 0.19 -2.65 0.14 0.00 0.01 0.00 0.00 72.50 70.19 2qf7 s THR 460 CO 0.02 -0.73 1.84 -0.65 -0.69 0.00 0.00 174.62 174.40 2qf7 h PRO 461 N 6.95 0.59 0.00 4.92 0.11 -1.91 -2.93 132.00 139.73 2qf7 h PRO 461 Ca -0.06 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2qf7 h PRO 461 Cb 0.94 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2qf7 h PRO 461 CO 0.61 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 2qf7 n GLU 462 N -4.26 0.10 0.15 1.05 0.00 -1.26 -1.28 120.64 115.15 2qf7 n GLU 462 Ca 0.02 0.54 0.13 0.00 0.00 0.00 0.00 57.16 57.84 2qf7 n GLU 462 Cb 0.26 -1.80 0.47 0.00 0.00 0.00 0.00 31.44 30.37 2qf7 n GLU 462 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2qf7 h LEU 463 N 0.00 0.00 -2.27 -1.84 3.38 -1.90 -3.23 115.31 109.45 2qf7 h LEU 463 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qf7 h LEU 463 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qf7 h LEU 463 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2qf7 n PHE 464 N -2.43 0.05 -4.74 1.13 3.01 -0.40 -4.86 117.46 109.22 2qf7 n PHE 464 Ca 0.03 -0.31 -0.33 0.00 1.01 0.00 0.00 57.45 57.85 2qf7 n PHE 464 Cb 0.33 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.70 2qf7 n PHE 464 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2qf7 s GLN 465 N -0.69 2.21 -0.16 -1.08 -0.21 -1.20 -5.04 119.66 113.49 2qf7 s GLN 465 Ca 0.03 -2.41 -0.31 0.00 0.02 0.00 0.00 55.36 52.69 2qf7 s GLN 465 Cb 0.02 -1.54 0.14 0.00 1.00 0.00 0.00 33.01 32.62 2qf7 s GLN 465 CO 0.03 -0.39 1.11 -0.65 -2.12 0.00 0.00 175.29 173.27 2qf7 s GLN 466 N -3.90 0.45 0.00 2.91 -1.52 -1.26 -5.00 119.66 111.33 2qf7 s GLN 466 Ca 0.05 -0.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 2qf7 s GLN 466 Cb 0.01 0.21 0.00 0.00 -0.22 0.00 0.00 33.01 33.01 2qf7 s GLN 466 CO 0.02 -0.17 0.00 1.55 -0.25 0.00 0.00 175.29 176.44 2qf7 n VAL 467 N 0.24 0.00 -4.26 1.09 3.14 -1.26 -5.25 118.33 112.03 2qf7 n VAL 467 Ca -0.05 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.11 2qf7 n VAL 467 Cb 0.59 -0.34 -0.07 0.00 -1.06 0.00 0.00 33.84 32.96 2qf7 n VAL 467 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2qf7 s ARG 469 N 0.00 2.36 0.00 1.45 0.52 -1.26 -5.19 118.95 116.83 2qf7 s ARG 469 Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 2qf7 s ARG 469 Cb 0.00 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.27 2qf7 s ARG 469 CO 0.00 0.35 0.34 1.04 0.02 0.00 0.00 175.30 177.05 2qf7 n GLN 470 N -0.94 -0.37 -1.54 3.54 3.00 -1.26 -4.95 117.38 114.86 2qf7 n GLN 470 Ca -0.06 -0.34 -0.29 0.00 -0.01 0.00 0.00 57.00 56.29 2qf7 n GLN 470 Cb 0.59 -0.84 0.18 0.00 0.00 0.00 0.00 30.24 30.17 2qf7 n GLN 470 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2qf7 s ASP 471 N -0.05 2.68 0.18 1.08 -4.77 -1.26 -4.80 116.67 109.74 2qf7 s ASP 471 Ca 0.00 0.65 -0.13 0.00 -3.30 0.00 0.00 52.55 49.77 2qf7 s ASP 471 Cb 0.00 -0.97 0.17 0.00 -1.09 0.00 0.00 42.92 41.04 2qf7 s ASP 471 CO 0.00 -3.04 1.75 0.03 0.70 0.00 0.00 175.17 174.62 2qf7 h ARG 472 N -1.84 0.37 -0.55 2.11 3.08 -1.99 -2.16 114.38 113.39 2qf7 h ARG 472 Ca -0.47 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 2qf7 h ARG 472 Cb 1.29 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2qf7 h ARG 472 CO 0.47 0.24 0.13 0.00 -1.07 0.00 0.00 179.97 179.74 2qf7 h ALA 473 N 1.33 0.73 -0.66 0.04 0.00 -1.97 -1.20 119.26 117.53 2qf7 h ALA 473 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qf7 h ALA 473 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2qf7 h ALA 473 CO -0.23 0.44 0.35 1.15 0.00 0.00 0.00 179.25 180.95 2qf7 h THR 474 N 0.79 1.21 -0.45 0.00 2.02 -1.85 0.14 112.91 114.76 2qf7 h THR 474 Ca 0.17 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2qf7 h THR 474 Cb 0.35 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2qf7 h THR 474 CO 0.00 0.24 0.28 0.11 0.37 0.00 0.00 175.52 176.52 2qf7 h LYS 475 N 0.90 0.55 -0.75 6.66 1.57 -1.08 0.38 116.57 124.80 2qf7 h LYS 475 Ca 0.23 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2qf7 h LYS 475 Cb 0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2qf7 h LYS 475 CO -0.03 0.37 0.35 1.25 -0.57 0.00 0.00 179.45 180.81 2qf7 h LEU 476 N 0.57 1.00 -1.40 2.94 5.85 -0.78 -0.95 115.31 122.54 2qf7 h LEU 476 Ca 0.17 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2qf7 h LEU 476 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2qf7 h LEU 476 CO -0.06 0.86 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.58 2qf7 h LEU 477 N 1.06 0.08 -0.58 2.25 3.38 -0.42 -1.78 115.31 119.30 2qf7 h LEU 477 Ca 0.26 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2qf7 h LEU 477 Cb 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2qf7 h LEU 477 CO -0.03 0.33 0.06 0.74 0.09 0.00 0.00 178.44 179.63 2qf7 h THR 478 N 0.07 1.26 0.29 0.22 2.02 0.10 -0.55 112.91 116.33 2qf7 h THR 478 Ca 0.01 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 2qf7 h THR 478 Cb 0.48 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2qf7 h THR 478 CO 0.03 0.38 -0.14 0.22 0.37 0.00 0.00 175.52 176.39 2qf7 h TYR 479 N 0.89 -0.37 -0.52 3.16 3.20 -0.72 -1.34 116.97 121.27 2qf7 h TYR 479 Ca 0.17 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2qf7 h TYR 479 Cb 0.47 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2qf7 h TYR 479 CO 0.03 -0.17 0.20 -0.07 -1.64 0.00 0.00 178.16 176.51 2qf7 h LEU 480 N -0.47 0.21 0.01 2.82 3.38 -1.28 -0.09 115.31 119.88 2qf7 h LEU 480 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qf7 h LEU 480 Cb 0.36 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2qf7 h LEU 480 CO 0.07 0.15 -0.12 0.00 0.09 0.00 0.00 178.44 178.62 2qf7 h ALA 481 N 1.35 -0.14 -0.11 1.53 0.00 -1.09 0.37 119.26 121.16 2qf7 h ALA 481 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2qf7 h ALA 481 Cb 0.27 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qf7 h ALA 481 CO -0.25 -0.61 0.00 0.22 0.00 0.00 0.00 179.25 178.61 2qf7 h ASP 482 N -0.21 -0.04 -0.23 0.00 1.82 -0.38 -0.21 116.42 117.18 2qf7 h ASP 482 Ca 0.04 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 2qf7 h ASP 482 Cb 0.26 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2qf7 h ASP 482 CO -0.11 -0.00 -0.19 1.62 -1.61 0.00 0.00 179.24 178.94 2qf7 h VAL 483 N 0.04 1.26 -0.72 2.25 3.04 -1.05 0.12 116.25 121.18 2qf7 h VAL 483 Ca 0.05 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.48 2qf7 h VAL 483 Cb 0.06 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2qf7 h VAL 483 CO -0.09 0.41 0.40 0.74 -1.01 0.00 0.00 177.57 178.03 2qf7 h THR 484 N 0.60 1.22 0.15 3.17 2.02 -0.33 0.51 112.91 120.25 2qf7 h THR 484 Ca 0.09 -0.54 -0.22 0.00 0.77 0.00 0.00 66.41 66.51 2qf7 h THR 484 Cb 0.66 0.26 0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2qf7 h THR 484 CO 0.05 0.24 -0.96 0.58 0.37 0.00 0.00 175.52 175.80 2qf7 h VAL 485 N 1.00 1.44 0.00 3.16 2.07 -0.91 -3.39 116.25 119.62 2qf7 h VAL 485 Ca 0.26 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2qf7 h VAL 485 Cb 0.03 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2qf7 h VAL 485 CO -0.04 0.73 -1.43 0.59 0.02 0.00 0.00 177.57 177.43 2qf7 n ASN 486 N -4.03 1.00 -0.16 0.57 4.13 0.39 -4.95 115.26 112.21 2qf7 n ASN 486 Ca -0.14 -0.30 0.02 0.00 1.68 0.00 0.00 54.58 55.84 2qf7 n ASN 486 Cb 0.88 1.51 -0.01 0.00 -1.54 0.00 0.00 39.78 40.63 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 1.49 -1.60 3.69 7.41 0.00 0.18 -4.87 105.19 111.49 2qf7 n GLY 487 Ca -0.01 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.51 3.26 0.46 1.61 2.46 -1.24 -4.60 115.29 115.73 2qf7 s HIS 488 Ca 0.00 0.17 0.18 0.00 0.47 0.00 0.00 55.06 55.88 2qf7 s HIS 488 Cb 0.00 -1.93 1.14 0.00 -0.13 0.00 0.00 32.58 31.66 2qf7 s HIS 488 CO 0.00 0.37 1.96 -1.35 -2.47 0.00 0.00 174.74 173.25 2qf7 h PRO 489 N 5.79 0.29 0.00 2.88 0.11 -1.93 0.95 132.00 140.09 2qf7 h PRO 489 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qf7 h PRO 489 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qf7 h PRO 489 CO 0.61 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.53 2qf7 h GLU 490 N 0.30 0.00 0.00 1.05 4.39 -1.94 -3.37 114.58 115.00 2qf7 h GLU 490 Ca 0.30 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 2qf7 h GLU 490 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2qf7 h GLU 490 CO -0.07 0.00 -1.16 0.00 -1.16 0.00 0.00 179.01 176.61 2qf7 n ALA 491 N -1.89 1.97 0.22 3.43 0.00 -0.70 -4.77 120.51 118.77 2qf7 n ALA 491 Ca 0.05 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2qf7 n ALA 491 Cb 0.45 0.13 0.52 0.00 0.00 0.00 0.00 19.45 20.55 2qf7 n ALA 491 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qf7 h LYS 492 N 0.00 0.00 -0.42 0.00 2.10 -1.02 -2.05 116.57 115.18 2qf7 h LYS 492 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2qf7 h LYS 492 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2qf7 h LYS 492 CO 0.00 0.22 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 2qf7 n ASP 493 N -4.07 3.38 -4.81 7.07 8.00 -1.26 -5.01 116.55 119.85 2qf7 n ASP 493 Ca -0.02 -2.17 -0.22 0.00 0.71 0.00 0.00 54.79 53.08 2qf7 n ASP 493 Cb 0.29 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 2qf7 n ASP 493 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2qf7 s ARG 494 N -1.31 2.45 0.38 -1.24 0.52 -0.77 -5.08 118.95 113.89 2qf7 s ARG 494 Ca 0.32 -1.58 -0.27 0.00 -0.52 0.00 0.00 55.73 53.69 2qf7 s ARG 494 Cb 0.19 -2.25 -0.11 0.00 0.52 0.00 0.00 34.95 33.30 2qf7 s ARG 494 CO 0.18 -0.07 1.26 -2.30 0.02 0.00 0.00 175.30 174.40 2qf7 n PRO 495 N -1.36 1.99 -3.63 3.54 -0.02 -1.26 -4.91 135.00 129.35 2qf7 n PRO 495 Ca 0.00 0.70 -0.28 0.00 -2.02 0.00 0.00 63.50 61.90 2qf7 n PRO 495 Cb 0.62 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.04 3.55 0.43 -0.52 3.01 -1.26 -2.25 119.74 120.66 2qf7 s LYS 496 Ca 0.58 -0.25 -0.25 0.00 -1.01 0.00 0.00 55.97 55.04 2qf7 s LYS 496 Cb -0.54 -2.80 -0.08 0.00 -1.01 0.00 0.00 37.83 33.40 2qf7 s LYS 496 CO 0.60 0.37 1.25 -2.14 0.51 0.00 0.00 175.35 175.94 2qf7 s PRO 497 N -3.31 3.84 0.37 -1.68 0.02 -1.26 -4.82 135.00 128.16 2qf7 s PRO 497 Ca 0.40 2.00 -0.24 0.00 0.02 0.00 0.00 61.00 63.18 2qf7 s PRO 497 Cb -0.11 -2.60 -0.13 0.00 0.02 0.00 0.00 34.50 31.68 2qf7 s PRO 497 CO 0.29 -0.55 0.72 1.47 -0.33 0.00 0.00 177.00 178.60 2qf7 n LEU 498 N -0.16 0.70 0.00 -5.54 -0.00 -1.26 -5.02 117.00 105.72 2qf7 n LEU 498 Ca 0.05 1.01 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 2qf7 n LEU 498 Cb 0.45 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.70 2qf7 n LEU 498 CO 0.52 -2.34 0.45 -0.62 -0.00 0.00 0.00 177.39 175.40 2qf7 n GLU 499 N 0.58 0.00 0.00 1.47 1.02 -1.26 -4.96 120.64 117.49 2qf7 n GLU 499 Ca 0.11 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2qf7 n GLU 499 Cb 0.36 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2qf7 n GLU 499 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qf7 n ALA 501 N -1.30 0.00 -2.10 0.62 0.00 -1.26 -5.22 120.51 111.25 2qf7 n ALA 501 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2qf7 n ALA 501 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2qf7 n ALA 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf7 s ALA 502 N 0.00 3.60 0.50 0.00 0.00 -1.26 -4.99 121.76 119.60 2qf7 s ALA 502 Ca 0.00 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 2qf7 s ALA 502 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 2qf7 s ALA 502 CO 0.00 -1.40 1.17 0.54 0.00 0.00 0.00 175.76 176.07 2qf7 n ARG 503 N 7.07 1.51 -2.15 0.00 1.74 -1.26 -4.91 116.66 118.66 2qf7 n ARG 503 Ca 0.17 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 2qf7 n ARG 503 Cb 0.43 -2.32 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 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 -2.48 4.38 -0.21 5.56 0.02 -1.26 -5.02 135.00 135.98 2qf7 s PRO 504 Ca 0.68 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.85 2qf7 s PRO 504 Cb -0.47 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 30.95 2qf7 s PRO 504 CO 0.53 -0.19 -0.11 0.08 -0.33 0.00 0.00 177.00 176.97 2qf7 s VAL 505 N -0.77 2.71 0.11 3.83 1.01 -1.26 -5.05 120.40 120.98 2qf7 s VAL 505 Ca 0.51 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 2qf7 s VAL 505 Cb -0.39 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 2qf7 s VAL 505 CO 0.48 0.41 1.70 -0.69 0.00 0.00 0.00 175.10 177.00 2qf7 s VAL 506 N 1.36 2.76 0.53 2.92 1.01 -1.26 -4.79 120.40 122.93 2qf7 s VAL 506 Ca 0.04 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2qf7 s VAL 506 Cb -0.14 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 2qf7 s VAL 506 CO -0.07 0.00 0.50 -2.65 0.00 0.00 0.00 175.10 172.88 2qf7 n PRO 507 N 5.31 0.52 0.00 2.72 -0.02 -1.26 -5.18 135.00 137.09 2qf7 n PRO 507 Ca 0.16 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2qf7 n PRO 507 Cb 0.39 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2qf7 n PRO 507 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2qf7 n TYR 508 N -1.48 0.00 -3.62 6.00 4.11 -1.26 -5.02 117.16 115.89 2qf7 n TYR 508 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.99 2qf7 n TYR 508 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.75 2qf7 n TYR 508 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2qf7 s GLY 511 N 0.00 -0.63 0.00 -7.48 0.00 -1.26 -5.12 107.32 92.83 2qf7 s GLY 511 Ca 0.00 2.47 0.00 0.00 0.00 0.00 0.00 44.72 47.19 2qf7 s GLY 511 CO 0.00 2.95 0.00 1.16 0.00 0.00 0.00 173.10 177.21 2qf7 n ASN 512 N 5.13 0.00 -4.87 1.64 0.23 -1.26 -5.19 115.26 110.93 2qf7 n ASN 512 Ca -0.13 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.55 2qf7 n ASN 512 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 2qf7 n ASN 512 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2qf7 s GLY 513 N 0.00 2.23 -0.05 4.83 0.00 -1.26 -5.05 107.32 108.01 2qf7 s GLY 513 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 44.72 43.80 2qf7 s GLY 513 CO 0.00 -0.31 1.77 -0.62 0.00 0.00 0.00 173.10 173.94 2qf7 n VAL 514 N 1.79 0.39 -2.71 1.40 0.31 -1.26 -4.98 118.33 113.27 2qf7 n VAL 514 Ca -0.17 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 2qf7 n VAL 514 Cb 0.54 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.77 2qf7 n VAL 514 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qf7 s LYS 515 N 3.16 4.65 0.26 5.55 0.00 -1.26 -5.01 119.74 127.10 2qf7 s LYS 515 Ca 0.90 1.46 -0.29 0.00 0.00 0.00 0.00 55.97 58.04 2qf7 s LYS 515 Cb -0.76 -3.39 -0.14 0.00 0.00 0.00 0.00 37.83 33.54 2qf7 s LYS 515 CO 0.50 0.13 1.11 -0.25 0.00 0.00 0.00 175.35 176.84 2qf7 n ASP 516 N 3.08 1.58 0.00 0.03 8.00 -1.26 -4.84 116.55 123.15 2qf7 n ASP 516 Ca 0.03 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2qf7 n ASP 516 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 2qf7 n ASP 516 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qf7 n GLY 517 N 1.45 5.49 0.28 0.44 0.00 -1.21 -4.96 105.19 106.68 2qf7 n GLY 517 Ca 0.10 -1.38 0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 0.26 -0.04 2.61 1.35 -1.62 -2.36 112.91 113.11 2qf7 h THR 518 Ca 0.00 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2qf7 h THR 518 Cb 0.00 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2qf7 h THR 518 CO 0.00 0.06 -0.01 0.50 -0.25 0.00 0.00 175.52 175.83 2qf7 h LYS 519 N 0.00 0.08 -0.96 4.72 1.63 -1.60 -0.55 116.57 119.89 2qf7 h LYS 519 Ca -0.00 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2qf7 h LYS 519 Cb 0.36 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 2qf7 h LYS 519 CO 0.01 0.40 0.59 1.96 -3.45 0.00 0.00 179.45 178.96 2qf7 h GLN 520 N -0.25 1.29 -0.59 1.90 7.50 -1.64 -1.25 115.11 122.07 2qf7 h GLN 520 Ca 0.01 -0.11 -0.09 0.00 0.50 0.00 0.00 58.65 58.96 2qf7 h GLN 520 Cb 0.37 -0.27 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 2qf7 h GLN 520 CO 0.00 0.89 0.02 1.25 -1.50 0.00 0.00 178.83 179.49 2qf7 h LEU 521 N 1.31 0.98 -0.42 1.46 5.85 -1.42 -0.71 115.31 122.36 2qf7 h LEU 521 Ca 0.34 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2qf7 h LEU 521 Cb -0.08 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 2qf7 h LEU 521 CO -0.07 1.03 0.15 0.25 -0.34 0.00 0.00 178.44 179.46 2qf7 h LEU 522 N 0.93 0.60 -1.65 2.25 5.85 -0.76 -0.05 115.31 122.48 2qf7 h LEU 522 Ca 0.17 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2qf7 h LEU 522 Cb 0.52 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2qf7 h LEU 522 CO 0.03 0.63 -0.09 0.44 -0.34 0.00 0.00 178.44 179.10 2qf7 h ASP 523 N 0.54 0.10 0.01 1.25 3.32 -0.78 -0.08 116.42 120.78 2qf7 h ASP 523 Ca 0.14 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2qf7 h ASP 523 Cb 0.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qf7 h ASP 523 CO -0.01 0.21 -0.00 0.74 -1.72 0.00 0.00 179.24 178.46 2qf7 h THR 524 N 0.11 1.59 0.10 0.35 2.02 -1.06 -3.41 112.91 112.61 2qf7 h THR 524 Ca 0.02 -2.06 -0.31 0.00 0.77 0.00 0.00 66.41 64.83 2qf7 h THR 524 Cb 0.23 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 2qf7 h THR 524 CO 0.01 0.52 -1.64 -0.07 0.37 0.00 0.00 175.52 174.71 2qf7 h LEU 525 N -0.93 0.34 0.00 2.58 3.38 -0.87 -3.51 115.31 116.31 2qf7 h LEU 525 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2qf7 h LEU 525 Cb 0.85 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2qf7 h LEU 525 CO 0.00 1.46 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2qf7 n GLY 526 N 1.71 -0.33 0.29 0.83 0.00 -0.05 -4.36 105.19 103.28 2qf7 n GLY 526 Ca -0.19 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 0.98 0.58 1.61 0.13 -1.80 -0.10 132.00 133.40 2qf7 h PRO 527 Ca 0.00 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2qf7 h PRO 527 Cb 0.00 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 30.98 2qf7 h PRO 527 CO 0.00 0.85 -0.34 -0.22 -0.23 0.00 0.00 178.00 178.06 2qf7 h LYS 528 N 0.91 -0.84 0.00 0.86 3.64 -1.93 -0.56 116.57 118.66 2qf7 h LYS 528 Ca 0.21 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2qf7 h LYS 528 Cb 0.26 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2qf7 h LYS 528 CO -0.01 -0.56 -0.18 0.87 -2.27 0.00 0.00 179.45 177.30 2qf7 h LYS 529 N -0.87 0.00 -0.23 1.90 1.57 -1.75 -1.59 116.57 115.60 2qf7 h LYS 529 Ca -0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2qf7 h LYS 529 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2qf7 h LYS 529 CO 0.08 0.18 -0.18 0.35 -0.57 0.00 0.00 179.45 179.32 2qf7 h PHE 530 N 0.00 0.63 -0.64 -1.35 3.57 -0.78 -1.02 116.94 117.35 2qf7 h PHE 530 Ca -0.00 -0.17 0.12 0.00 3.53 0.00 0.00 57.97 61.45 2qf7 h PHE 530 Cb 0.36 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 2qf7 h PHE 530 CO 0.00 0.84 0.14 0.78 -2.23 0.00 0.00 178.31 177.84 2qf7 h GLY 531 N 0.23 0.83 0.82 2.40 0.00 -0.79 -1.15 103.07 105.41 2qf7 h GLY 531 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.39 2qf7 h GLY 531 CO 0.05 -0.13 0.54 0.83 0.00 0.00 0.00 176.54 177.82 2qf7 h GLU 532 N 0.27 1.00 -0.72 4.80 5.08 -0.99 -2.21 114.58 121.80 2qf7 h GLU 532 Ca 0.34 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2qf7 h GLU 532 Cb 0.52 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2qf7 h GLU 532 CO -0.43 0.66 0.47 2.35 -1.00 0.00 0.00 179.01 181.06 2qf7 h TRP 533 N 1.03 0.89 -0.37 4.33 7.01 -0.52 -1.73 115.95 126.59 2qf7 h TRP 533 Ca 0.35 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.35 2qf7 h TRP 533 Cb 0.06 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 2qf7 h TRP 533 CO -0.03 0.54 0.13 0.52 -2.79 0.00 0.00 178.44 176.82 2qf7 h MET 534 N 0.95 0.55 -0.56 2.65 2.86 -0.93 -1.14 114.93 119.31 2qf7 h MET 534 Ca 0.27 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 2qf7 h MET 534 Cb -0.06 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 2qf7 h MET 534 CO -0.08 0.55 0.26 -0.09 1.06 0.00 0.00 176.91 178.61 2qf7 h ARG 535 N 0.44 0.48 0.00 1.72 9.65 -1.26 -2.45 114.38 122.96 2qf7 h ARG 535 Ca 0.12 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2qf7 h ARG 535 Cb 0.21 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2qf7 h ARG 535 CO -0.01 0.32 -0.05 -0.91 2.80 0.00 0.00 179.97 182.12 2qf7 h ASN 536 N 0.50 0.00 -2.76 -3.80 -0.26 -1.10 -3.45 115.58 104.71 2qf7 h ASN 536 Ca 0.26 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.48 2qf7 h ASN 536 Cb 0.21 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.53 2qf7 h ASN 536 CO -0.20 0.05 0.97 -1.61 -1.06 0.00 0.00 177.43 175.57 2qf7 s GLU 537 N -3.49 4.15 -0.00 0.81 0.41 -0.45 -4.94 118.70 115.19 2qf7 s GLU 537 Ca 0.03 2.54 -0.22 0.00 -0.41 0.00 0.00 54.97 56.90 2qf7 s GLU 537 Cb 0.08 -3.09 -0.19 0.00 -1.78 0.00 0.00 34.13 29.14 2qf7 s GLU 537 CO 0.60 -0.70 1.19 -0.22 -0.49 0.00 0.00 175.26 175.64 2qf7 h LYS 538 N 6.66 0.26 -7.05 1.61 3.11 -1.88 -3.45 116.57 115.83 2qf7 h LYS 538 Ca -0.43 -0.19 -0.54 0.00 -2.81 0.00 0.00 60.65 56.67 2qf7 h LYS 538 Cb 1.20 0.04 0.13 0.00 -1.00 0.00 0.00 32.23 32.60 2qf7 h LYS 538 CO 0.93 0.82 0.58 -0.98 -2.81 0.00 0.00 179.45 178.00 2qf7 s ARG 539 N -3.73 3.19 0.32 1.90 1.70 -1.26 -4.64 118.95 116.43 2qf7 s ARG 539 Ca -0.15 2.15 -0.28 0.00 -0.47 0.00 0.00 55.73 56.99 2qf7 s ARG 539 Cb 0.03 -2.25 -0.09 0.00 -0.57 0.00 0.00 34.95 32.07 2qf7 s ARG 539 CO 0.75 -1.13 1.09 0.54 -1.08 0.00 0.00 175.30 175.47 2qf7 s VAL 540 N -1.35 3.52 0.04 4.99 0.11 -0.73 -4.96 120.40 122.02 2qf7 s VAL 540 Ca 0.71 1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 61.10 2qf7 s VAL 540 Cb -0.38 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.57 2qf7 s VAL 540 CO 0.45 0.24 0.30 -0.76 -3.33 0.00 0.00 175.10 172.01 2qf7 s LEU 541 N -1.86 4.36 -0.04 2.54 1.43 -0.47 -4.43 118.68 120.20 2qf7 s LEU 541 Ca 0.49 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 54.24 2qf7 s LEU 541 Cb -0.29 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 2qf7 s LEU 541 CO 0.37 0.22 -0.19 -0.76 0.23 0.00 0.00 176.35 176.22 2qf7 s LEU 542 N -1.89 2.46 -0.15 1.79 1.02 -1.26 -1.01 118.68 119.65 2qf7 s LEU 542 Ca 0.30 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.12 2qf7 s LEU 542 Cb -0.13 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 2qf7 s LEU 542 CO 0.18 0.33 -0.08 -0.89 0.02 0.00 0.00 176.35 175.91 2qf7 s THR 543 N -0.64 3.48 -0.18 5.49 2.01 -0.36 -0.60 115.64 124.84 2qf7 s THR 543 Ca 0.10 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2qf7 s THR 543 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2qf7 s THR 543 CO 0.00 0.50 0.44 -0.62 -0.69 0.00 0.00 174.62 174.25 2qf7 s ASP 544 N 0.47 6.52 -0.01 3.53 -1.08 -0.89 -1.66 116.67 123.54 2qf7 s ASP 544 Ca -0.06 0.62 0.16 0.00 -0.52 0.00 0.00 52.55 52.74 2qf7 s ASP 544 Cb -0.15 -2.25 0.46 0.00 -1.46 0.00 0.00 42.92 39.52 2qf7 s ASP 544 CO 0.04 -0.07 1.38 0.35 0.52 0.00 0.00 175.17 177.39 2qf7 n THR 545 N 4.19 1.08 -0.29 1.71 -2.24 -0.68 -0.73 114.28 117.32 2qf7 n THR 545 Ca -0.07 -1.04 0.05 0.00 -2.27 0.00 0.00 64.05 60.71 2qf7 n THR 545 Cb 0.51 0.46 0.19 0.00 -2.10 0.00 0.00 70.33 69.39 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 2.96 0.82 0.00 4.28 2.02 -1.79 -1.44 112.91 119.76 2qf7 h THR 546 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2qf7 h THR 546 Cb 0.89 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2qf7 h THR 546 CO 0.02 0.13 0.00 0.23 0.37 0.00 0.00 175.52 176.26 2qf7 n MET 547 N -4.82 0.34 0.00 6.66 2.81 -1.25 -3.67 117.12 117.19 2qf7 n MET 547 Ca 0.15 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2qf7 n MET 547 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.27 0.00 0.11 0.03 0.00 -0.67 -4.66 116.66 110.20 2qf7 n ARG 548 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 2qf7 n ARG 548 Cb 0.18 0.00 0.38 0.00 0.00 0.00 0.00 32.46 33.02 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 0.25 0.25 6.15 3.58 -1.65 -0.51 116.42 124.49 2qf7 h ASP 549 Ca 0.00 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2qf7 h ASP 549 Cb 0.00 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2qf7 h ASP 549 CO 0.00 0.40 -0.20 1.23 -2.88 0.00 0.00 179.24 177.78 2qf7 h GLY 550 N 0.75 -0.48 2.00 -0.78 0.00 -1.46 0.85 103.07 103.95 2qf7 h GLY 550 Ca 0.05 0.23 -0.18 0.00 0.00 0.00 0.00 47.33 47.43 2qf7 h GLY 550 CO 0.02 -0.20 -0.84 1.12 0.00 0.00 0.00 176.54 176.64 2qf7 h HIS 551 N -0.47 0.00 -0.59 5.60 2.07 -1.61 -1.52 115.15 118.64 2qf7 h HIS 551 Ca -0.01 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.58 2qf7 h HIS 551 Cb 0.42 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.34 2qf7 h HIS 551 CO -0.13 0.84 0.27 0.37 -3.07 0.00 0.00 177.93 176.22 2qf7 h GLN 552 N 0.00 0.49 -0.07 5.12 4.15 -0.91 0.12 115.11 124.01 2qf7 h GLN 552 Ca -0.01 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.15 2qf7 h GLN 552 Cb 1.59 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 29.18 2qf7 h GLN 552 CO 0.11 0.32 -0.87 0.77 -1.93 0.00 0.00 178.83 177.23 2qf7 h SER 553 N 0.50 0.79 0.00 -0.69 0.02 -0.68 -3.31 113.55 110.18 2qf7 h SER 553 Ca 0.28 -0.57 -0.15 0.00 -0.84 0.00 0.00 61.79 60.51 2qf7 h SER 553 Cb 0.26 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2qf7 h SER 553 CO -0.23 1.36 -2.12 0.18 -1.14 0.00 0.00 176.83 174.88 2qf7 n LEU 554 N -3.86 0.00 -0.97 5.07 4.77 -0.58 -4.61 117.00 116.81 2qf7 n LEU 554 Ca -0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 2qf7 n LEU 554 Cb 0.79 0.20 0.09 0.00 -2.33 0.00 0.00 43.42 42.18 2qf7 n LEU 554 CO 0.53 0.20 0.22 0.18 -1.33 0.00 0.00 177.39 177.19 2qf7 n LEU 555 N -2.44 1.58 -2.42 2.23 4.77 0.33 -4.29 117.00 116.76 2qf7 n LEU 555 Ca -0.16 -2.62 -0.18 0.00 -0.03 0.00 0.00 56.01 53.02 2qf7 n LEU 555 Cb 0.80 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2qf7 n LEU 555 CO 0.43 0.80 -0.23 0.00 -1.33 0.00 0.00 177.39 177.05 2qf7 n ALA 556 N -0.26 -0.67 -2.05 -1.18 0.00 -1.11 -1.72 120.51 113.52 2qf7 n ALA 556 Ca 0.11 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 2qf7 n ALA 556 Cb 0.90 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.84 -0.55 1.18 0.00 -1.04 -0.60 -4.89 114.28 104.54 2qf7 n THR 557 Ca -0.22 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.89 2qf7 n THR 557 Cb 0.67 -2.55 0.33 0.00 -1.82 0.00 0.00 70.33 66.96 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 -2.74 1.72 -1.99 -2.82 5.12 -0.70 -4.80 116.66 110.45 2qf7 n ARG 558 Ca -0.23 -1.10 -0.42 0.00 -1.93 0.00 0.00 57.85 54.18 2qf7 n ARG 558 Cb 0.69 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.60 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 -1.74 4.25 0.25 5.56 -2.45 -1.26 -4.98 119.30 118.93 2qf7 s MET 559 Ca 0.30 2.31 -0.05 0.00 -1.25 0.00 0.00 55.69 57.00 2qf7 s MET 559 Cb 0.16 -3.14 -0.05 0.00 1.25 0.00 0.00 34.83 33.05 2qf7 s MET 559 CO 0.24 -0.50 0.51 1.03 1.05 0.00 0.00 175.02 177.35 2qf7 s ARG 560 N 0.34 3.64 0.26 4.11 0.52 -1.26 -5.00 118.95 121.56 2qf7 s ARG 560 Ca 0.64 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 2qf7 s ARG 560 Cb -0.42 -2.70 0.53 0.00 0.52 0.00 0.00 34.95 32.87 2qf7 s ARG 560 CO 0.37 0.29 1.67 1.15 0.02 0.00 0.00 175.30 178.80 2qf7 h THR 561 N 1.56 0.43 -0.73 0.02 2.02 -1.93 -1.84 112.91 112.43 2qf7 h THR 561 Ca -0.47 -0.08 0.15 0.00 0.77 0.00 0.00 66.41 66.78 2qf7 h THR 561 Cb 1.18 0.18 -0.14 0.00 -1.74 0.00 0.00 68.15 67.64 2qf7 h THR 561 CO 0.68 0.04 -0.16 0.22 0.37 0.00 0.00 175.52 176.66 2qf7 h TYR 562 N 0.23 -0.35 0.03 3.16 3.20 -1.89 0.31 116.97 121.65 2qf7 h TYR 562 Ca 0.45 0.06 -0.22 0.00 3.14 0.00 0.00 58.73 62.17 2qf7 h TYR 562 Cb 0.82 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2qf7 h TYR 562 CO -0.29 -0.31 -0.99 -0.44 -1.64 0.00 0.00 178.16 174.49 2qf7 h ASP 563 N 0.01 0.24 0.12 -2.11 3.32 -1.73 -3.13 116.42 113.14 2qf7 h ASP 563 Ca 0.36 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2qf7 h ASP 563 Cb 0.55 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.05 2qf7 h ASP 563 CO -0.74 1.08 -0.72 0.40 -1.72 0.00 0.00 179.24 177.54 2qf7 h ILE 564 N 0.07 1.53 -0.08 0.35 2.04 -0.95 -3.30 117.51 117.17 2qf7 h ILE 564 Ca -0.06 -2.50 -0.12 0.00 1.00 0.00 0.00 64.86 63.18 2qf7 h ILE 564 Cb 1.67 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 40.93 2qf7 h ILE 564 CO 0.15 0.70 -0.50 0.00 0.00 0.00 0.00 178.15 178.49 2qf7 h ALA 565 N 0.05 1.00 0.00 1.87 0.00 -0.53 -3.07 119.26 118.58 2qf7 h ALA 565 Ca -0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2qf7 h ALA 565 Cb 1.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2qf7 h ALA 565 CO 0.12 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.98 2qf7 h ARG 566 N 0.17 0.00 -0.01 0.00 3.08 -1.62 -2.69 114.38 113.31 2qf7 h ARG 566 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qf7 h ARG 566 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2qf7 h ARG 566 CO 0.08 0.04 -0.64 1.51 -1.07 0.00 0.00 179.97 179.89 2qf7 n ILE 567 N -3.32 0.00 -0.27 2.04 0.13 -1.16 -4.59 119.36 112.19 2qf7 n ILE 567 Ca -0.02 -0.17 -0.05 0.00 -1.10 0.00 0.00 62.75 61.42 2qf7 n ILE 567 Cb 0.20 1.13 0.06 0.00 -0.84 0.00 0.00 39.64 40.19 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 3.58 0.95 -0.50 1.51 0.00 -1.54 -1.47 119.26 121.79 2qf7 h ALA 568 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2qf7 h ALA 568 Cb 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2qf7 h ALA 568 CO 0.00 0.43 0.10 0.78 0.00 0.00 0.00 179.25 180.56 2qf7 h GLY 569 N 1.02 0.83 0.93 0.00 0.00 -1.77 -1.70 103.07 102.38 2qf7 h GLY 569 Ca 0.26 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2qf7 h GLY 569 CO -0.05 0.45 -0.04 -0.84 0.00 0.00 0.00 176.54 176.07 2qf7 h THR 570 N 0.74 0.97 -0.51 4.70 2.02 -1.58 -0.55 112.91 118.70 2qf7 h THR 570 Ca 0.16 -0.17 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2qf7 h THR 570 Cb 0.31 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 2qf7 h THR 570 CO 0.00 0.04 -0.14 1.88 0.37 0.00 0.00 175.52 177.67 2qf7 h TYR 571 N -0.18 -0.31 -0.71 3.16 -1.99 -1.17 0.12 116.97 115.90 2qf7 h TYR 571 Ca -0.01 0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.84 2qf7 h TYR 571 Cb 0.15 0.22 -0.06 0.00 2.00 0.00 0.00 36.73 39.03 2qf7 h TYR 571 CO -0.05 -0.23 0.39 1.03 -0.00 0.00 0.00 178.16 179.30 2qf7 h SER 572 N -0.02 0.56 0.27 3.88 0.87 -0.90 0.40 113.55 118.62 2qf7 h SER 572 Ca 0.25 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.51 2qf7 h SER 572 Cb 0.39 -0.07 0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2qf7 h SER 572 CO -0.54 0.35 -1.47 0.45 -0.53 0.00 0.00 176.83 175.10 2qf7 h HIS 573 N 0.70 0.98 0.00 2.24 3.86 -0.80 -3.36 115.15 118.76 2qf7 h HIS 573 Ca 0.32 -0.71 -0.30 0.00 -1.16 0.00 0.00 60.37 58.52 2qf7 h HIS 573 Cb 0.24 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 2qf7 h HIS 573 CO -0.08 1.55 -2.02 0.00 0.86 0.00 0.00 177.93 178.25 2qf7 n ALA 574 N -2.71 1.60 -2.84 2.45 0.00 0.39 -4.56 120.51 114.85 2qf7 n ALA 574 Ca -0.16 -1.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.05 2qf7 n ALA 574 Cb 1.10 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.85 3.27 0.02 0.00 4.77 0.12 -4.73 117.00 117.60 2qf7 n LEU 575 Ca -0.23 -5.12 0.07 0.00 -0.03 0.00 0.00 56.01 50.70 2qf7 n LEU 575 Cb 1.06 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 42.37 2qf7 n LEU 575 CO 0.44 2.19 0.73 -0.81 -1.33 0.00 0.00 177.39 178.61 2qf7 n PRO 576 N -0.16 0.03 0.00 3.23 -0.04 -1.25 -2.18 135.00 134.62 2qf7 n PRO 576 Ca 0.28 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2qf7 n PRO 576 Cb 0.58 -1.56 0.46 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.61 0.73 -4.76 3.54 3.02 -1.26 -4.60 115.26 110.32 2qf7 n ASN 577 Ca 0.03 -0.65 -0.39 0.00 -0.03 0.00 0.00 54.58 53.54 2qf7 n ASN 577 Cb 0.16 0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.57 4.00 0.04 3.41 1.43 -0.93 -4.78 118.68 119.30 2qf7 s LEU 578 Ca 0.24 2.68 -0.28 0.00 -1.03 0.00 0.00 54.13 55.74 2qf7 s LEU 578 Cb 0.19 -4.13 -0.17 0.00 0.03 0.00 0.00 46.19 42.11 2qf7 s LEU 578 CO 0.52 -1.22 1.45 0.25 0.23 0.00 0.00 176.35 177.58 2qf7 h LEU 579 N 1.98 -0.46 -7.33 1.79 5.85 -1.21 -3.42 115.31 112.51 2qf7 h LEU 579 Ca -0.50 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.16 2qf7 h LEU 579 Cb 1.27 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 2qf7 h LEU 579 CO 0.60 -0.20 0.23 -0.94 -0.34 0.00 0.00 178.44 177.79 2qf7 s SER 580 N -4.83 -0.46 -0.22 1.25 1.04 -1.22 -3.08 113.70 106.19 2qf7 s SER 580 Ca -0.15 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 2qf7 s SER 580 Cb 0.03 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2qf7 s SER 580 CO 0.59 -1.07 0.01 -0.76 0.98 0.00 0.00 173.24 172.98 2qf7 s LEU 581 N -2.80 3.21 -0.43 2.42 1.43 -0.53 -2.10 118.68 119.89 2qf7 s LEU 581 Ca 0.05 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 2qf7 s LEU 581 Cb -0.03 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2qf7 s LEU 581 CO -0.06 0.01 1.10 -0.70 0.23 0.00 0.00 176.35 176.93 2qf7 s GLU 582 N 1.30 3.81 0.00 1.70 2.12 0.09 -0.85 118.70 126.88 2qf7 s GLU 582 Ca 0.04 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2qf7 s GLU 582 Cb -0.15 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2qf7 s GLU 582 CO 0.01 -1.22 0.76 0.00 -0.54 0.00 0.00 175.26 174.27 2qf7 s TRP 584 N 0.00 -0.31 0.00 0.00 -0.00 -1.21 -4.78 118.94 112.63 2qf7 s TRP 584 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.10 2qf7 s TRP 584 Cb 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 33.47 34.10 2qf7 s TRP 584 CO 0.00 -0.96 0.00 0.41 -0.00 0.00 0.00 176.95 176.40 2qf7 n GLY 585 N -0.41 -1.45 7.00 5.86 0.00 -1.26 -2.23 105.19 112.71 2qf7 n GLY 585 Ca -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 2.61 0.04 -0.02 0.00 -1.11 -2.11 105.19 104.61 2qf7 n GLY 586 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 8.10 2.62 0.26 4.61 0.00 -1.26 -3.93 120.51 130.91 2qf7 n ALA 587 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.36 2qf7 n ALA 587 Cb 0.00 -1.42 0.69 0.00 0.00 0.00 0.00 19.45 18.72 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 0.22 0.69 0.34 0.00 1.35 -1.76 -2.04 112.91 111.70 2qf7 h THR 588 Ca 0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 2qf7 h THR 588 Cb 0.33 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2qf7 h THR 588 CO 0.00 0.13 -0.16 0.15 -0.25 0.00 0.00 175.52 175.38 2qf7 h PHE 589 N 0.00 -0.42 0.10 4.73 3.57 -1.74 -1.24 116.94 121.95 2qf7 h PHE 589 Ca -0.00 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.20 2qf7 h PHE 589 Cb 0.32 0.14 0.02 0.00 2.79 0.00 0.00 35.95 39.22 2qf7 h PHE 589 CO 0.00 -0.09 -1.20 0.38 -2.23 0.00 0.00 178.31 175.17 2qf7 h ASP 590 N -0.87 0.75 -0.87 0.41 2.03 -1.85 -3.32 116.42 112.71 2qf7 h ASP 590 Ca -0.05 -0.70 0.06 0.00 -0.73 0.00 0.00 57.03 55.62 2qf7 h ASP 590 Cb 0.53 -0.24 -0.06 0.00 -0.83 0.00 0.00 39.33 38.73 2qf7 h ASP 590 CO 0.08 1.51 0.54 0.58 -1.03 0.00 0.00 179.24 180.92 2qf7 h VAL 591 N 0.24 1.03 -0.63 4.15 2.07 -1.43 0.06 116.25 121.75 2qf7 h VAL 591 Ca -0.16 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.12 2qf7 h VAL 591 Cb 1.88 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 2qf7 h VAL 591 CO 0.22 0.18 0.23 0.77 0.02 0.00 0.00 177.57 178.99 2qf7 h SER 592 N 0.97 0.22 0.08 0.57 4.64 -1.32 -0.76 113.55 117.95 2qf7 h SER 592 Ca 0.38 0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.63 2qf7 h SER 592 Cb 0.19 0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2qf7 h SER 592 CO -0.18 0.13 -0.65 0.24 -0.87 0.00 0.00 176.83 175.50 2qf7 h MET 593 N 0.41 0.31 -0.14 4.77 2.86 -1.15 -0.22 114.93 121.77 2qf7 h MET 593 Ca 0.32 -0.43 -0.20 0.00 -2.06 0.00 0.00 59.70 57.33 2qf7 h MET 593 Cb 0.41 0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2qf7 h MET 593 CO -0.32 1.16 -0.68 -0.09 1.06 0.00 0.00 176.91 178.03 2qf7 h ARG 594 N -0.34 0.70 0.00 1.72 2.43 -0.81 -3.01 114.38 115.07 2qf7 h ARG 594 Ca -0.10 -0.57 -0.00 0.00 -0.81 0.00 0.00 59.98 58.49 2qf7 h ARG 594 Cb 1.45 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2qf7 h ARG 594 CO 0.12 1.19 -1.35 1.19 -1.51 0.00 0.00 179.97 179.61 2qf7 n PHE 595 N -4.04 0.00 0.34 2.20 3.72 -0.31 -4.60 117.46 114.77 2qf7 n PHE 595 Ca -0.08 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.37 2qf7 n PHE 595 Cb 0.70 -0.17 0.04 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.77 1.83 -3.92 4.37 4.77 -1.01 -4.97 117.00 116.30 2qf7 n LEU 596 Ca -0.01 -1.08 -0.28 0.00 -0.03 0.00 0.00 56.01 54.61 2qf7 n LEU 596 Cb 0.20 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2qf7 n LEU 596 CO 0.16 0.37 -0.01 0.41 -1.33 0.00 0.00 177.39 176.99 2qf7 n THR 597 N 0.49 -2.62 -4.00 -5.08 -1.04 -0.84 -4.86 114.28 96.34 2qf7 n THR 597 Ca 0.06 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 2qf7 n THR 597 Cb 0.24 -2.85 -0.09 0.00 -1.82 0.00 0.00 70.33 65.81 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 -6.51 0.77 -0.22 -2.82 -1.05 -0.16 -4.55 118.70 104.18 2qf7 s GLU 598 Ca 0.41 -1.15 -0.17 0.00 -0.15 0.00 0.00 54.97 53.91 2qf7 s GLU 598 Cb -0.21 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.72 2qf7 s GLU 598 CO 0.85 -0.21 0.46 0.34 0.95 0.00 0.00 175.26 177.65 2qf7 s ASP 599 N -2.92 6.46 0.50 0.83 -1.08 -1.26 -2.53 116.67 116.68 2qf7 s ASP 599 Ca 0.09 0.55 0.31 0.00 -0.52 0.00 0.00 52.55 52.99 2qf7 s ASP 599 Cb 0.06 -2.26 1.24 0.00 -1.46 0.00 0.00 42.92 40.50 2qf7 s ASP 599 CO -0.08 -0.16 1.92 1.55 0.52 0.00 0.00 175.17 178.92 2qf7 h PRO 600 N 7.58 0.00 -0.10 4.34 0.13 -1.90 -2.57 132.00 139.49 2qf7 h PRO 600 Ca -0.34 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.57 2qf7 h PRO 600 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2qf7 h PRO 600 CO 0.72 0.00 -0.82 -1.49 -0.23 0.00 0.00 178.00 176.17 2qf7 h TRP 601 N 0.00 0.91 -0.54 1.56 4.06 -1.97 -1.73 115.95 118.24 2qf7 h TRP 601 Ca 0.00 -0.42 -0.02 0.00 2.06 0.00 0.00 58.89 60.51 2qf7 h TRP 601 Cb 0.52 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 2qf7 h TRP 601 CO 0.00 1.24 0.26 1.49 -3.56 0.00 0.00 178.44 177.86 2qf7 h GLU 602 N 0.43 0.78 0.02 0.49 4.81 -1.92 -0.75 114.58 118.44 2qf7 h GLU 602 Ca -0.06 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2qf7 h GLU 602 Cb 1.45 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 2qf7 h GLU 602 CO 0.16 0.65 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.76 2qf7 h ARG 603 N 0.73 -0.37 -0.55 1.92 2.43 -1.34 -1.64 114.38 115.56 2qf7 h ARG 603 Ca 0.19 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2qf7 h ARG 603 Cb 0.13 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2qf7 h ARG 603 CO -0.02 -0.25 0.24 1.25 -1.51 0.00 0.00 179.97 179.68 2qf7 h LEU 604 N -0.38 0.30 -0.45 3.80 5.85 -1.11 -1.92 115.31 121.39 2qf7 h LEU 604 Ca 0.06 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2qf7 h LEU 604 Cb 0.45 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2qf7 h LEU 604 CO -0.20 0.20 0.28 0.00 -0.34 0.00 0.00 178.44 178.38 2qf7 h ALA 605 N 1.33 0.58 -0.51 1.25 0.00 -0.90 0.21 119.26 121.22 2qf7 h ALA 605 Ca 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2qf7 h ALA 605 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qf7 h ALA 605 CO -0.22 -0.01 -0.06 -0.07 0.00 0.00 0.00 179.25 178.88 2qf7 h LEU 606 N 0.57 0.91 -0.61 0.00 3.38 -1.03 -0.93 115.31 117.59 2qf7 h LEU 606 Ca 0.17 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2qf7 h LEU 606 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qf7 h LEU 606 CO -0.06 1.00 -0.17 0.40 0.09 0.00 0.00 178.44 179.70 2qf7 h ILE 607 N 0.83 1.27 -0.46 1.22 2.04 -0.96 -1.17 117.51 120.28 2qf7 h ILE 607 Ca 0.14 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 2qf7 h ILE 607 Cb 0.58 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2qf7 h ILE 607 CO 0.04 0.45 0.28 -0.09 0.00 0.00 0.00 178.15 178.83 2qf7 h ARG 608 N 0.81 0.63 -0.42 2.37 9.65 -0.63 0.87 114.38 127.67 2qf7 h ARG 608 Ca 0.12 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2qf7 h ARG 608 Cb 0.72 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 2qf7 h ARG 608 CO 0.06 0.47 0.21 0.93 2.80 0.00 0.00 179.97 184.43 2qf7 h GLU 609 N 0.62 0.60 -0.09 0.20 5.08 -1.05 -3.10 114.58 116.83 2qf7 h GLU 609 Ca 0.17 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2qf7 h GLU 609 Cb -0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2qf7 h GLU 609 CO -0.03 0.51 -0.37 0.78 -1.00 0.00 0.00 179.01 178.89 2qf7 h GLY 610 N 0.54 0.20 -6.12 -3.84 0.00 -0.84 -3.37 103.07 89.64 2qf7 h GLY 610 Ca 0.15 -0.18 -0.58 0.00 0.00 0.00 0.00 47.33 46.71 2qf7 h GLY 610 CO -0.02 0.16 -0.82 0.00 0.00 0.00 0.00 176.54 175.86 2qf7 n ALA 611 N -2.47 3.34 0.65 3.60 0.00 0.27 -3.25 120.51 122.64 2qf7 n ALA 611 Ca -0.01 -4.16 0.07 0.00 0.00 0.00 0.00 53.44 49.34 2qf7 n ALA 611 Cb 0.44 -0.86 0.36 0.00 0.00 0.00 0.00 19.45 19.39 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 1.13 0.14 0.00 0.00 -0.04 -1.18 -3.39 135.00 131.65 2qf7 n PRO 612 Ca 0.26 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 2qf7 n PRO 612 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.36 0.74 -4.71 3.54 6.94 -1.26 -4.68 115.26 114.47 2qf7 n ASN 613 Ca 0.06 -0.87 -0.30 0.00 -0.02 0.00 0.00 54.58 53.44 2qf7 n ASN 613 Cb 0.14 0.96 -0.08 0.00 -2.36 0.00 0.00 39.78 38.45 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 -2.63 3.55 0.33 -4.53 1.43 -1.22 -1.79 118.68 113.82 2qf7 s LEU 614 Ca 0.06 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.77 2qf7 s LEU 614 Cb 0.11 -2.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2qf7 s LEU 614 CO 0.58 0.19 1.14 -0.76 0.23 0.00 0.00 176.35 177.72 2qf7 s LEU 615 N -2.24 4.39 -0.18 1.79 1.43 -1.18 -4.57 118.68 118.13 2qf7 s LEU 615 Ca 0.26 2.32 -0.08 0.00 -1.03 0.00 0.00 54.13 55.59 2qf7 s LEU 615 Cb -0.12 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 2qf7 s LEU 615 CO 0.18 -0.38 0.10 -0.76 0.23 0.00 0.00 176.35 175.73 2qf7 s LEU 616 N -1.92 4.08 -0.03 1.79 1.43 -1.26 -1.45 118.68 121.32 2qf7 s LEU 616 Ca 0.50 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 2qf7 s LEU 616 Cb -0.31 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2qf7 s LEU 616 CO 0.40 0.22 -0.23 -1.58 0.23 0.00 0.00 176.35 175.39 2qf7 s GLN 617 N 0.13 2.26 0.29 1.70 0.74 -0.02 -1.20 119.66 123.56 2qf7 s GLN 617 Ca 0.07 -0.87 0.10 0.00 0.05 0.00 0.00 55.36 54.72 2qf7 s GLN 617 Cb -0.12 -2.14 -0.06 0.00 1.10 0.00 0.00 33.01 31.80 2qf7 s GLN 617 CO -0.00 0.56 -0.15 0.00 -0.55 0.00 0.00 175.29 175.14 2qf7 s MET 618 N -0.59 1.68 -0.21 1.67 0.23 -0.03 -1.89 119.30 120.15 2qf7 s MET 618 Ca 0.09 -1.81 -0.11 0.00 -1.03 0.00 0.00 55.69 52.84 2qf7 s MET 618 Cb -0.11 -1.63 -0.05 0.00 -1.53 0.00 0.00 34.83 31.51 2qf7 s MET 618 CO -0.00 0.23 0.16 -1.17 -2.03 0.00 0.00 175.02 172.21 2qf7 s LEU 619 N -3.52 4.18 -0.07 0.18 2.96 -0.94 -1.12 118.68 120.35 2qf7 s LEU 619 Ca 0.30 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2qf7 s LEU 619 Cb -0.01 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2qf7 s LEU 619 CO 0.14 0.12 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.93 2qf7 s LEU 620 N 0.65 1.78 -0.09 -0.68 2.96 0.59 -2.74 118.68 121.15 2qf7 s LEU 620 Ca 0.09 -0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 53.37 2qf7 s LEU 620 Cb -0.12 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 2qf7 s LEU 620 CO 0.01 0.08 0.92 -0.60 -1.32 0.00 0.00 176.35 175.44 2qf7 s ARG 621 N 0.48 4.43 0.24 1.98 3.52 -0.49 -2.06 118.95 127.06 2qf7 s ARG 621 Ca -0.13 1.25 -0.05 0.00 -0.13 0.00 0.00 55.73 56.67 2qf7 s ARG 621 Cb -0.15 -3.52 0.35 0.00 -1.56 0.00 0.00 34.95 30.07 2qf7 s ARG 621 CO 0.04 -0.20 1.84 0.78 -0.81 0.00 0.00 175.30 176.95 2qf7 h GLY 622 N 7.62 1.27 2.00 8.12 0.00 -1.38 0.82 103.07 121.52 2qf7 h GLY 622 Ca -0.34 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.45 2qf7 h GLY 622 CO 0.81 0.22 -0.84 0.00 0.00 0.00 0.00 176.54 176.73 2qf7 h ALA 623 N 1.42 0.49 0.00 3.60 0.00 -1.80 -3.39 119.26 119.58 2qf7 h ALA 623 Ca 0.38 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2qf7 h ALA 623 Cb 0.23 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 17.62 2qf7 h ALA 623 CO -0.19 1.05 -0.75 0.27 0.00 0.00 0.00 179.25 179.63 2qf7 n ASN 624 N -3.37 0.36 0.00 0.00 6.94 -1.03 -4.42 115.26 113.75 2qf7 n ASN 624 Ca 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 2qf7 n ASN 624 Cb 0.85 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 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 0.30 0.64 0.02 4.83 0.00 0.25 -0.69 105.19 110.53 2qf7 n GLY 625 Ca -0.03 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.70 -1.33 1.61 0.24 -1.26 -1.39 118.33 116.90 2qf7 n VAL 626 Ca 0.00 -0.85 -0.00 0.00 -2.04 0.00 0.00 64.34 61.44 2qf7 n VAL 626 Cb 0.00 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 -0.33 -0.64 0.00 7.63 0.00 0.13 -4.82 105.19 107.16 2qf7 n GLY 627 Ca 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.86 0.00 -3.35 1.61 0.18 -1.26 -4.99 117.16 107.48 2qf7 n TYR 628 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2qf7 n TYR 628 Cb 0.01 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 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 -1.15 0.00 -3.55 -3.48 5.66 -1.26 -5.13 114.28 105.37 2qf7 n THR 629 Ca 0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2qf7 n THR 629 Cb 0.07 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 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 0.16 6.58 0.11 1.09 0.02 -1.26 -4.68 114.94 116.96 2qf7 s ASN 630 Ca 0.00 0.76 0.05 0.00 -1.02 0.00 0.00 52.86 52.66 2qf7 s ASN 630 Cb 0.00 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 39.07 2qf7 s ASN 630 CO 0.00 0.03 -0.13 -0.31 0.02 0.00 0.00 177.10 176.71 2qf7 s TYR 631 N -1.66 1.32 0.80 2.20 2.02 -1.26 -5.07 117.35 115.71 2qf7 s TYR 631 Ca 0.42 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.42 2qf7 s TYR 631 Cb -0.12 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 40.79 2qf7 s TYR 631 CO 0.22 0.11 1.04 -2.30 -1.57 0.00 0.00 175.55 173.05 2qf7 n PRO 632 N 0.63 0.18 -0.36 -1.71 -0.02 -1.26 -4.75 135.00 127.72 2qf7 n PRO 632 Ca -0.16 0.13 0.05 0.00 -2.02 0.00 0.00 63.50 61.50 2qf7 n PRO 632 Cb 0.57 -2.30 0.21 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.84 0.93 0.05 2.55 3.32 -1.88 -2.07 116.42 118.48 2qf7 h ASP 633 Ca -0.46 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 2qf7 h ASP 633 Cb 1.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2qf7 h ASP 633 CO 0.45 0.54 -0.10 -0.55 -1.72 0.00 0.00 179.24 177.85 2qf7 h ASN 634 N 1.03 0.12 -0.17 6.45 -1.07 -1.96 -0.55 115.58 119.44 2qf7 h ASN 634 Ca 0.46 -0.02 -0.11 0.00 0.07 0.00 0.00 56.30 56.70 2qf7 h ASN 634 Cb 0.36 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.58 2qf7 h ASN 634 CO -0.23 0.24 -0.34 0.58 0.07 0.00 0.00 177.43 177.75 2qf7 h VAL 635 N 0.13 1.35 -0.50 6.14 2.07 -1.73 -1.34 116.25 122.36 2qf7 h VAL 635 Ca 0.03 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2qf7 h VAL 635 Cb 0.26 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2qf7 h VAL 635 CO 0.02 0.48 0.24 0.58 0.02 0.00 0.00 177.57 178.91 2qf7 h VAL 636 N 0.17 1.20 -0.60 2.57 2.07 -1.20 -0.99 116.25 119.46 2qf7 h VAL 636 Ca 0.00 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2qf7 h VAL 636 Cb 0.94 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2qf7 h VAL 636 CO 0.08 0.22 0.29 0.11 0.02 0.00 0.00 177.57 178.28 2qf7 h LYS 637 N 0.67 0.87 -0.37 1.57 1.57 -1.12 -1.38 116.57 118.38 2qf7 h LYS 637 Ca 0.17 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2qf7 h LYS 637 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2qf7 h LYS 637 CO -0.02 0.71 0.23 -0.92 -0.57 0.00 0.00 179.45 178.88 2qf7 h TYR 638 N 0.83 0.44 -0.10 -1.35 3.20 -0.95 -0.00 116.97 119.03 2qf7 h TYR 638 Ca 0.21 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 2qf7 h TYR 638 Cb 0.13 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2qf7 h TYR 638 CO 0.00 0.27 -0.07 0.35 -1.64 0.00 0.00 178.16 177.08 2qf7 h PHE 639 N 0.48 -0.16 -0.85 -3.82 3.57 -1.03 -1.45 116.94 113.68 2qf7 h PHE 639 Ca 0.14 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2qf7 h PHE 639 Cb -0.03 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2qf7 h PHE 639 CO -0.06 -0.10 0.54 0.28 -2.23 0.00 0.00 178.31 176.73 2qf7 h VAL 640 N -0.07 1.09 -0.37 1.41 2.07 -0.96 0.80 116.25 120.22 2qf7 h VAL 640 Ca 0.06 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2qf7 h VAL 640 Cb 0.16 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2qf7 h VAL 640 CO -0.14 0.19 0.02 -0.09 0.02 0.00 0.00 177.57 177.56 2qf7 h ARG 641 N 1.01 0.12 -0.35 1.57 2.43 -0.64 -1.96 114.38 116.57 2qf7 h ARG 641 Ca 0.36 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2qf7 h ARG 641 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2qf7 h ARG 641 CO -0.15 0.08 -0.33 1.96 -1.51 0.00 0.00 179.97 180.03 2qf7 h GLN 642 N 0.12 0.84 -0.58 0.20 1.08 -0.50 -2.17 115.11 114.10 2qf7 h GLN 642 Ca 0.18 -0.43 0.09 0.00 -1.45 0.00 0.00 58.65 57.04 2qf7 h GLN 642 Cb 0.24 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2qf7 h GLN 642 CO -0.28 1.07 0.20 0.00 -0.95 0.00 0.00 178.83 178.87 2qf7 h ALA 643 N 0.75 0.73 -0.13 3.87 0.00 -0.65 0.30 119.26 124.14 2qf7 h ALA 643 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qf7 h ALA 643 Cb 0.91 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qf7 h ALA 643 CO 0.08 -0.22 0.07 0.00 0.00 0.00 0.00 179.25 179.18 2qf7 h ALA 644 N 1.41 0.16 -0.94 0.00 0.00 -1.29 -2.24 119.26 116.37 2qf7 h ALA 644 Ca 0.30 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2qf7 h ALA 644 Cb 0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2qf7 h ALA 644 CO -0.31 -0.30 0.61 0.87 0.00 0.00 0.00 179.25 180.11 2qf7 h LYS 645 N 0.11 1.05 0.00 0.00 1.57 -0.84 -2.52 116.57 115.95 2qf7 h LYS 645 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qf7 h LYS 645 Cb 0.07 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2qf7 h LYS 645 CO -0.01 0.70 0.00 0.78 -0.57 0.00 0.00 179.45 180.35 2qf7 h GLY 646 N 1.08 0.00 0.00 3.86 0.00 -0.13 -3.46 103.07 104.42 2qf7 h GLY 646 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2qf7 h GLY 646 CO -0.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.00 2qf7 n GLY 647 N -0.33 1.00 3.72 4.60 0.00 -0.95 -4.38 105.19 108.85 2qf7 n GLY 647 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.82 4.00 -0.18 -0.61 -1.09 -0.87 -4.54 121.20 116.09 2qf7 s ILE 648 Ca 0.00 1.46 0.10 0.00 -2.23 0.00 0.00 60.65 59.98 2qf7 s ILE 648 Cb 0.00 -3.93 -0.18 0.00 -1.58 0.00 0.00 42.46 36.77 2qf7 s ILE 648 CO 0.00 0.13 -0.02 0.47 -1.23 0.00 0.00 174.94 174.28 2qf7 n ASP 649 N 3.77 1.44 -4.00 3.58 8.00 -0.34 -4.45 116.55 124.55 2qf7 n ASP 649 Ca 0.08 -0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.24 2qf7 n ASP 649 Cb 0.46 0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 41.90 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 -5.54 2.57 -0.31 0.64 0.20 -0.72 -1.20 118.68 114.32 2qf7 s LEU 650 Ca -0.15 -1.05 -0.09 0.00 0.69 0.00 0.00 54.13 53.53 2qf7 s LEU 650 Cb 0.06 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 2qf7 s LEU 650 CO 0.61 -0.17 0.14 -0.36 -0.29 0.00 0.00 176.35 176.28 2qf7 s PHE 651 N 1.33 3.17 -0.41 5.38 0.08 -0.34 -0.85 117.98 126.34 2qf7 s PHE 651 Ca -0.04 -0.61 -0.19 0.00 0.12 0.00 0.00 56.93 56.21 2qf7 s PHE 651 Cb -0.17 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 2qf7 s PHE 651 CO -0.07 -0.47 0.55 0.50 -0.10 0.00 0.00 175.22 175.63 2qf7 s ARG 652 N 1.60 3.33 -0.14 0.44 3.52 -0.27 -0.80 118.95 126.63 2qf7 s ARG 652 Ca 0.04 -0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.21 2qf7 s ARG 652 Cb -0.17 -3.91 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 2qf7 s ARG 652 CO 0.06 -0.86 -0.07 0.54 -0.81 0.00 0.00 175.30 174.16 2qf7 s VAL 653 N 2.50 3.56 0.28 7.11 0.11 -0.15 -0.30 120.40 133.52 2qf7 s VAL 653 Ca 0.18 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2qf7 s VAL 653 Cb -0.15 -2.53 -0.05 0.00 -1.53 0.00 0.00 36.38 32.11 2qf7 s VAL 653 CO 0.16 0.51 0.09 0.72 -3.33 0.00 0.00 175.10 173.25 2qf7 s PHE 654 N 0.30 1.67 -0.01 1.54 -0.12 -0.87 -0.43 117.98 120.06 2qf7 s PHE 654 Ca -0.06 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 55.71 2qf7 s PHE 654 Cb -0.15 -1.02 0.00 0.00 -0.63 0.00 0.00 43.02 41.23 2qf7 s PHE 654 CO 0.04 -0.24 -0.04 0.34 -0.05 0.00 0.00 175.22 175.28 2qf7 s ASP 655 N -3.37 0.51 0.00 1.98 2.15 -1.26 -1.09 116.67 115.59 2qf7 s ASP 655 Ca 0.37 -0.07 0.13 0.00 0.43 0.00 0.00 52.55 53.41 2qf7 s ASP 655 Cb 0.08 -0.10 0.58 0.00 -0.30 0.00 0.00 42.92 43.18 2qf7 s ASP 655 CO 0.14 0.03 1.38 0.00 -0.17 0.00 0.00 175.17 176.55 2qf7 n LEU 657 N -1.43 1.68 -3.66 0.00 4.77 -1.26 -4.41 117.00 112.69 2qf7 n LEU 657 Ca 0.04 -2.07 -0.27 0.00 -0.03 0.00 0.00 56.01 53.68 2qf7 n LEU 657 Cb 0.13 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2qf7 n LEU 657 CO 0.11 0.49 0.10 0.59 -1.33 0.00 0.00 177.39 177.36 2qf7 n ASN 658 N -0.74 -5.22 -4.46 -1.43 3.02 -0.38 -4.79 115.26 101.26 2qf7 n ASN 658 Ca 0.06 -0.61 -0.44 0.00 -0.03 0.00 0.00 54.58 53.56 2qf7 n ASN 658 Cb 0.48 -4.17 -0.06 0.00 -0.61 0.00 0.00 39.78 35.42 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 -3.24 3.02 0.36 3.10 -0.00 -1.26 -4.91 118.94 116.00 2qf7 s TRP 659 Ca 0.57 -0.45 0.03 0.00 -0.00 0.00 0.00 56.10 56.26 2qf7 s TRP 659 Cb -0.28 -3.60 0.67 0.00 -0.00 0.00 0.00 33.47 30.26 2qf7 s TRP 659 CO 0.70 -1.07 2.00 0.28 -0.00 0.00 0.00 176.95 178.86 2qf7 h VAL 660 N 5.88 1.16 -0.88 5.86 2.07 -1.96 -0.89 116.25 127.50 2qf7 h VAL 660 Ca -0.27 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.00 2qf7 h VAL 660 Cb 1.09 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2qf7 h VAL 660 CO 0.98 0.16 0.57 -0.08 0.02 0.00 0.00 177.57 179.22 2qf7 h GLU 661 N 0.75 0.81 0.00 1.57 4.57 -2.00 0.51 114.58 120.79 2qf7 h GLU 661 Ca 0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2qf7 h GLU 661 Cb -0.03 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 2qf7 h GLU 661 CO -0.04 0.54 0.00 -1.71 -1.18 0.00 0.00 179.01 176.62 2qf7 n ASN 662 N -4.53 0.00 -0.00 1.04 5.15 -0.34 -3.24 115.26 113.33 2qf7 n ASN 662 Ca 0.15 -1.04 0.04 0.00 -0.60 0.00 0.00 54.58 53.14 2qf7 n ASN 662 Cb 0.33 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.52 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 -0.94 2.46 -0.16 1.20 2.81 0.15 -3.49 117.12 119.15 2qf7 n MET 663 Ca 0.20 -0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.96 2qf7 n MET 663 Cb 0.09 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.70 -0.64 0.03 3.08 -1.48 -1.91 114.38 114.16 2qf7 h ARG 664 Ca 0.00 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 59.98 2qf7 h ARG 664 Cb 0.30 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 2qf7 h ARG 664 CO 0.00 0.66 0.32 0.28 -1.07 0.00 0.00 179.97 180.16 2qf7 h VAL 665 N 0.59 0.90 -0.26 2.04 2.07 -1.85 0.16 116.25 119.91 2qf7 h VAL 665 Ca 0.15 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2qf7 h VAL 665 Cb 0.24 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2qf7 h VAL 665 CO -0.01 0.11 -0.20 0.28 0.02 0.00 0.00 177.57 177.77 2qf7 h SER 666 N 0.58 0.62 -0.75 0.57 0.02 -1.71 -1.67 113.55 111.21 2qf7 h SER 666 Ca 0.30 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2qf7 h SER 666 Cb 0.26 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2qf7 h SER 666 CO -0.22 0.94 0.48 0.24 -1.14 0.00 0.00 176.83 177.13 2qf7 h MET 667 N 0.31 0.92 -0.14 3.45 2.07 -1.12 -0.47 114.93 119.95 2qf7 h MET 667 Ca 0.05 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2qf7 h MET 667 Cb 0.74 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 2qf7 h MET 667 CO 0.05 0.61 0.07 -0.44 1.07 0.00 0.00 176.91 178.26 2qf7 h ASP 668 N 0.94 0.18 -0.67 1.22 3.32 -0.93 -2.10 116.42 118.39 2qf7 h ASP 668 Ca 0.29 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.30 2qf7 h ASP 668 Cb -0.02 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 2qf7 h ASP 668 CO -0.10 0.25 0.33 0.00 -1.72 0.00 0.00 179.24 178.01 2qf7 h ALA 669 N 0.93 0.90 0.02 3.45 0.00 -0.97 -0.07 119.26 123.53 2qf7 h ALA 669 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qf7 h ALA 669 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qf7 h ALA 669 CO -0.01 -0.05 -0.01 0.82 0.00 0.00 0.00 179.25 180.01 2qf7 h ILE 670 N 0.59 1.05 -0.49 0.00 2.04 -0.92 -1.85 117.51 117.92 2qf7 h ILE 670 Ca 0.32 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2qf7 h ILE 670 Cb 0.30 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2qf7 h ILE 670 CO -0.24 0.05 0.30 0.00 0.00 0.00 0.00 178.15 178.26 2qf7 h ALA 671 N 0.86 0.63 -1.00 1.87 0.00 -1.19 -1.72 119.26 118.72 2qf7 h ALA 671 Ca -0.00 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.15 2qf7 h ALA 671 Cb 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2qf7 h ALA 671 CO 0.00 0.01 0.67 1.49 0.00 0.00 0.00 179.25 181.43 2qf7 h GLU 672 N 0.61 0.24 -0.02 0.00 4.22 -0.73 0.15 114.58 119.04 2qf7 h GLU 672 Ca 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.62 2qf7 h GLU 672 Cb -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qf7 h GLU 672 CO -0.08 0.16 0.00 0.39 -2.18 0.00 0.00 179.01 177.30 2qf7 n GLU 673 N -4.45 1.66 -2.46 1.92 -0.58 -0.68 -4.93 120.64 111.12 2qf7 n GLU 673 Ca 0.22 -0.96 -0.15 0.00 -0.42 0.00 0.00 57.16 55.85 2qf7 n GLU 673 Cb 0.91 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 0.17 -4.64 -4.91 1.62 5.15 0.51 -5.02 115.26 108.14 2qf7 n ASN 674 Ca 0.19 -0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.88 2qf7 n ASN 674 Cb 0.35 -3.69 -0.02 0.00 -0.53 0.00 0.00 39.78 35.89 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 -4.96 2.51 -0.13 1.20 -0.14 -1.07 -4.49 119.74 112.67 2qf7 s LYS 675 Ca 0.07 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 52.82 2qf7 s LYS 675 Cb -0.03 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.69 2qf7 s LYS 675 CO 0.09 -0.31 1.31 -0.51 -0.76 0.00 0.00 175.35 175.17 2qf7 s LEU 676 N -4.22 4.21 -0.53 3.17 1.43 -0.34 -4.45 118.68 117.95 2qf7 s LEU 676 Ca 0.48 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 2qf7 s LEU 676 Cb -0.04 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.73 2qf7 s LEU 676 CO 0.29 -0.76 0.57 0.00 0.23 0.00 0.00 176.35 176.68 2qf7 s GLU 678 N 2.24 3.00 -0.18 0.00 2.12 0.02 -0.26 118.70 125.65 2qf7 s GLU 678 Ca 0.09 -1.59 -0.26 0.00 0.36 0.00 0.00 54.97 53.57 2qf7 s GLU 678 Cb -0.24 -4.28 -0.01 0.00 0.26 0.00 0.00 34.13 29.86 2qf7 s GLU 678 CO 0.07 -1.34 0.86 0.00 -0.54 0.00 0.00 175.26 174.31 2qf7 s ALA 679 N 1.82 3.53 -0.05 6.30 0.00 -0.58 -0.98 121.76 131.82 2qf7 s ALA 679 Ca 0.05 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 2qf7 s ALA 679 Cb -0.28 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2qf7 s ALA 679 CO 0.04 -0.70 0.26 0.00 0.00 0.00 0.00 175.76 175.36 2qf7 s ALA 680 N 2.28 3.82 -0.22 0.00 0.00 0.43 -0.44 121.76 127.62 2qf7 s ALA 680 Ca 0.39 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2qf7 s ALA 680 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 2qf7 s ALA 680 CO 0.12 0.59 0.02 0.42 0.00 0.00 0.00 175.76 176.90 2qf7 s ILE 681 N -1.12 4.03 0.21 0.00 1.01 0.49 -4.58 121.20 121.22 2qf7 s ILE 681 Ca 0.21 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 2qf7 s ILE 681 Cb -0.14 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 2qf7 s ILE 681 CO 0.10 0.40 1.09 0.00 0.00 0.00 0.00 174.94 176.53 2qf7 s TYR 683 N -0.54 3.60 0.21 0.00 5.04 -1.26 -5.01 117.35 119.39 2qf7 s TYR 683 Ca 0.47 0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 55.77 2qf7 s TYR 683 Cb -0.30 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.74 2qf7 s TYR 683 CO 0.36 0.49 0.36 -0.08 -1.34 0.00 0.00 175.55 175.35 2qf7 s THR 684 N -0.42 0.02 0.00 4.34 -1.32 -1.26 -4.63 115.64 112.37 2qf7 s THR 684 Ca 0.20 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2qf7 s THR 684 Cb -0.14 -2.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2qf7 s THR 684 CO 0.08 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2qf7 n GLY 685 N -0.32 0.58 3.03 6.08 0.00 -1.26 -4.73 105.19 108.57 2qf7 n GLY 685 Ca -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.57 0.53 1.61 -1.08 -1.26 -4.86 116.67 107.04 2qf7 s ASP 686 Ca 0.00 0.27 0.35 0.00 -0.52 0.00 0.00 52.55 52.65 2qf7 s ASP 686 Cb 0.00 1.60 1.82 0.00 -1.46 0.00 0.00 42.92 44.88 2qf7 s ASP 686 CO 0.00 -0.30 2.07 0.16 0.52 0.00 0.00 175.17 177.62 2qf7 h ILE 687 N 6.09 0.00 -0.08 4.11 3.07 -1.85 -0.93 117.51 127.92 2qf7 h ILE 687 Ca -0.14 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2qf7 h ILE 687 Cb 1.16 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2qf7 h ILE 687 CO 0.24 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.52 2qf7 n LEU 688 N -2.80 2.33 -4.40 0.16 4.77 -1.26 -4.51 117.00 111.30 2qf7 n LEU 688 Ca -0.02 -0.83 -0.44 0.00 -0.03 0.00 0.00 56.01 54.69 2qf7 n LEU 688 Cb 0.11 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2qf7 n LEU 688 CO 0.19 0.42 0.06 0.21 -1.33 0.00 0.00 177.39 176.93 2qf7 s ASN 689 N -1.89 6.15 0.00 -1.43 3.84 -0.36 -4.93 114.94 116.33 2qf7 s ASN 689 Ca 0.33 -1.26 0.12 0.00 0.21 0.00 0.00 52.86 52.26 2qf7 s ASN 689 Cb 0.20 -2.19 0.54 0.00 -0.55 0.00 0.00 41.25 39.25 2qf7 s ASN 689 CO 0.31 -0.66 1.37 -1.54 -2.79 0.00 0.00 177.10 173.79 2qf7 n SER 690 N 5.30 0.00 -0.08 -4.21 3.41 -1.26 -1.68 113.62 115.10 2qf7 n SER 690 Ca -0.12 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 2qf7 n SER 690 Cb 0.44 -0.45 0.46 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.45 2.99 -2.95 7.33 0.00 -1.26 -4.15 120.51 121.02 2qf7 n ALA 691 Ca 0.04 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 2qf7 n ALA 691 Cb 0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2qf7 n ALA 691 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qf7 n ARG 692 N -1.18 2.40 0.12 0.00 0.63 -0.68 -4.98 116.66 112.97 2qf7 n ARG 692 Ca 0.10 -4.24 0.10 0.00 -0.92 0.00 0.00 57.85 52.89 2qf7 n ARG 692 Cb 0.32 -2.00 0.47 0.00 0.45 0.00 0.00 32.46 31.70 2qf7 n ARG 692 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2qf7 n PRO 693 N -0.10 0.15 -0.28 -0.14 -0.04 -1.26 -3.02 135.00 130.32 2qf7 n PRO 693 Ca 0.28 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 64.29 2qf7 n PRO 693 Cb 0.54 -1.83 0.23 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.42 -2.45 0.54 3.64 -1.95 -2.92 116.57 113.86 2qf7 h LYS 694 Ca 0.00 -0.03 -0.70 0.00 -1.27 0.00 0.00 60.65 58.65 2qf7 h LYS 694 Cb 0.24 -0.10 -0.35 0.00 -0.41 0.00 0.00 32.23 31.62 2qf7 h LYS 694 CO 0.00 0.28 0.13 0.66 -2.27 0.00 0.00 179.45 178.25 2qf7 n TYR 695 N -5.02 3.11 -2.83 1.91 4.01 -1.17 -4.84 117.16 112.34 2qf7 n TYR 695 Ca 0.17 -3.33 -0.16 0.00 -0.16 0.00 0.00 57.90 54.42 2qf7 n TYR 695 Cb 0.50 -0.88 0.07 0.00 -0.31 0.00 0.00 39.34 38.71 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 0.63 1.39 -0.17 7.72 5.75 -1.11 -3.84 116.55 126.93 2qf7 n ASP 696 Ca 0.32 -2.06 -0.07 0.00 -0.01 0.00 0.00 54.79 52.96 2qf7 n ASP 696 Cb 0.35 -0.39 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.61 -1.82 -2.12 5.85 -1.91 -2.69 115.31 113.23 2qf7 h LEU 697 Ca -0.23 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2qf7 h LEU 697 Cb 0.95 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2qf7 h LEU 697 CO 0.29 0.49 0.18 0.50 -0.34 0.00 0.00 178.44 179.56 2qf7 h LYS 698 N 0.68 0.23 -0.49 1.25 1.63 -1.96 -1.50 116.57 116.41 2qf7 h LYS 698 Ca 0.18 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2qf7 h LYS 698 Cb -0.00 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 2qf7 h LYS 698 CO -0.03 0.15 0.26 -0.92 -3.45 0.00 0.00 179.45 175.46 2qf7 h TYR 699 N 0.23 0.48 -0.05 1.91 3.20 -1.80 0.35 116.97 121.29 2qf7 h TYR 699 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2qf7 h TYR 699 Cb 0.16 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.29 2qf7 h TYR 699 CO -0.00 0.25 -0.52 1.88 -1.64 0.00 0.00 178.16 178.13 2qf7 h TYR 700 N 0.51 0.63 -0.34 -3.82 0.05 -1.35 -2.65 116.97 110.01 2qf7 h TYR 700 Ca 0.21 -0.30 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 2qf7 h TYR 700 Cb 0.10 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2qf7 h TYR 700 CO -0.09 1.09 -0.18 1.79 -1.05 0.00 0.00 178.16 179.72 2qf7 h THR 701 N -0.02 1.26 -0.69 -2.88 1.35 -1.27 -1.46 112.91 109.20 2qf7 h THR 701 Ca -0.05 -1.21 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 2qf7 h THR 701 Cb 1.19 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 2qf7 h THR 701 CO 0.10 0.40 0.16 0.78 -0.25 0.00 0.00 175.52 176.71 2qf7 h ASN 702 N 0.56 1.05 -0.50 5.36 2.35 -0.99 -2.16 115.58 121.26 2qf7 h ASN 702 Ca 0.09 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 2qf7 h ASN 702 Cb 0.63 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2qf7 h ASN 702 CO 0.04 1.02 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.71 2qf7 h LEU 703 N 1.05 0.94 -1.10 1.61 3.38 -1.24 -1.98 115.31 117.98 2qf7 h LEU 703 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qf7 h LEU 703 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qf7 h LEU 703 CO 0.00 1.03 0.37 0.00 0.09 0.00 0.00 178.44 179.94 2qf7 h ALA 704 N 1.06 1.31 -0.30 1.53 0.00 -1.10 0.15 119.26 121.92 2qf7 h ALA 704 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2qf7 h ALA 704 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qf7 h ALA 704 CO 0.04 0.55 -0.09 0.28 0.00 0.00 0.00 179.25 180.03 2qf7 h VAL 705 N 1.01 1.28 -0.23 0.00 2.07 -1.16 -2.19 116.25 117.03 2qf7 h VAL 705 Ca 0.25 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 2qf7 h VAL 705 Cb 0.06 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2qf7 h VAL 705 CO -0.04 0.36 -0.42 -0.33 0.02 0.00 0.00 177.57 177.17 2qf7 h GLU 706 N 0.34 0.55 -0.27 1.57 4.39 -0.93 -1.90 114.58 118.33 2qf7 h GLU 706 Ca 0.07 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 2qf7 h GLU 706 Cb 0.58 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2qf7 h GLU 706 CO 0.03 0.87 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.46 2qf7 h LEU 707 N 0.45 0.50 -0.29 1.33 3.38 -0.96 0.14 115.31 119.85 2qf7 h LEU 707 Ca 0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2qf7 h LEU 707 Cb 0.92 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2qf7 h LEU 707 CO 0.08 0.72 -0.07 -0.08 0.09 0.00 0.00 178.44 179.18 2qf7 h GLU 708 N 0.44 0.56 0.00 1.13 4.81 -1.16 -1.30 114.58 119.07 2qf7 h GLU 708 Ca 0.07 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2qf7 h GLU 708 Cb 0.63 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2qf7 h GLU 708 CO 0.04 0.76 -0.18 0.87 -0.73 0.00 0.00 179.01 179.78 2qf7 h LYS 709 N 0.33 0.00 0.00 1.92 1.57 -1.12 -0.23 116.57 119.03 2qf7 h LYS 709 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qf7 h LYS 709 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2qf7 h LYS 709 CO 0.03 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 2qf7 n ALA 710 N -2.50 2.61 -0.15 3.86 0.00 0.02 -4.92 120.51 119.44 2qf7 n ALA 710 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qf7 n ALA 710 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.93 0.92 3.60 0.00 0.00 -0.10 -4.81 105.19 105.73 2qf7 n GLY 711 Ca 0.22 -0.09 -0.37 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 n ALA 712 N -1.56 0.03 -0.01 4.61 0.00 -0.54 -4.90 120.51 118.14 2qf7 n ALA 712 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2qf7 n ALA 712 Cb 0.00 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.21 2qf7 n ALA 712 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qf7 n HIS 713 N -1.84 0.10 -3.79 0.00 -0.00 0.65 -4.82 115.22 105.51 2qf7 n HIS 713 Ca 0.14 0.03 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 2qf7 n HIS 713 Cb 0.48 -0.59 -0.11 0.00 -0.00 0.00 0.00 29.99 29.77 2qf7 n HIS 713 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2qf7 s ILE 714 N -3.41 0.02 -0.15 1.59 1.01 -1.09 -4.37 121.20 114.80 2qf7 s ILE 714 Ca -0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 2qf7 s ILE 714 Cb 0.13 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 2qf7 s ILE 714 CO 0.89 -0.09 0.08 -0.63 0.00 0.00 0.00 174.94 175.19 2qf7 s ILE 715 N -0.31 4.96 0.03 2.92 -1.09 -0.37 -1.52 121.20 125.82 2qf7 s ILE 715 Ca -0.04 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 2qf7 s ILE 715 Cb -0.03 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2qf7 s ILE 715 CO 0.01 0.52 0.05 0.00 -1.23 0.00 0.00 174.94 174.29 2qf7 s ALA 716 N -0.17 3.45 0.20 9.38 0.00 0.41 -1.31 121.76 133.72 2qf7 s ALA 716 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2qf7 s ALA 716 Cb -0.12 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.61 2qf7 s ALA 716 CO 0.01 0.70 0.23 0.28 0.00 0.00 0.00 175.76 176.98 2qf7 n VAL 717 N 0.95 0.00 0.00 0.00 0.31 -0.25 -0.38 118.33 118.96 2qf7 n VAL 717 Ca -0.12 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 2qf7 n VAL 717 Cb 0.52 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.53 0.00 0.26 4.52 2.03 0.91 -0.90 116.55 120.85 2qf7 n ASP 719 Ca 0.04 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.48 2qf7 n ASP 719 Cb 0.21 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.32 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 -0.02 -0.67 -0.00 -1.82 -1.99 114.93 110.43 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 0.12 -0.19 0.00 -0.00 0.00 0.00 176.91 176.84 2qf7 n ALA 721 N -2.24 2.88 -3.12 -3.00 0.00 -1.26 -0.73 120.51 113.03 2qf7 n ALA 721 Ca -0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.68 2qf7 n ALA 721 Cb 0.26 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 19.12 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 1.16 0.08 0.07 0.00 0.00 -0.75 -4.66 105.19 101.09 2qf7 n GLY 722 Ca 0.09 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.10 0.55 -4.68 0.99 4.77 -1.26 -4.63 117.00 109.64 2qf7 n LEU 723 Ca -0.00 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 2qf7 n LEU 723 Cb 0.54 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2qf7 n LEU 723 CO 0.38 -0.08 1.24 -0.22 -1.33 0.00 0.00 177.39 177.38 2qf7 s LEU 724 N -4.77 4.32 0.21 2.23 2.96 -1.26 -4.97 118.68 117.40 2qf7 s LEU 724 Ca -0.02 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2qf7 s LEU 724 Cb 0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 2qf7 s LEU 724 CO 0.83 -0.83 0.39 -0.54 -1.32 0.00 0.00 176.35 174.88 2qf7 s LYS 725 N 3.08 3.50 0.18 1.98 1.02 -1.26 -4.82 119.74 123.42 2qf7 s LYS 725 Ca 0.68 -0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.13 2qf7 s LYS 725 Cb -0.33 -2.84 0.17 0.00 -0.52 0.00 0.00 37.83 34.31 2qf7 s LYS 725 CO 0.28 0.39 1.71 -1.35 -0.92 0.00 0.00 175.35 175.46 2qf7 h PRO 726 N 1.82 0.18 -0.94 -1.68 0.11 -1.89 -0.67 132.00 128.93 2qf7 h PRO 726 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2qf7 h PRO 726 Cb 1.20 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2qf7 h PRO 726 CO 0.67 0.12 0.62 0.00 -0.21 0.00 0.00 178.00 179.20 2qf7 h ALA 727 N 1.39 1.21 -0.49 -0.75 0.00 -1.96 -1.91 119.26 116.74 2qf7 h ALA 727 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2qf7 h ALA 727 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qf7 h ALA 727 CO -0.34 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.59 2qf7 h ALA 728 N 1.36 0.65 -0.93 0.00 0.00 -1.74 -2.65 119.26 115.94 2qf7 h ALA 728 Ca 0.36 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2qf7 h ALA 728 Cb -0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 2qf7 h ALA 728 CO -0.09 0.33 0.58 0.00 0.00 0.00 0.00 179.25 180.06 2qf7 h ALA 729 N 1.00 1.32 -0.36 0.00 0.00 -0.59 0.63 119.26 121.26 2qf7 h ALA 729 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qf7 h ALA 729 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qf7 h ALA 729 CO -0.00 0.28 0.20 -0.22 0.00 0.00 0.00 179.25 179.51 2qf7 h LYS 730 N 1.00 0.50 -0.17 0.00 3.64 -1.23 0.45 116.57 120.76 2qf7 h LYS 730 Ca 0.43 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2qf7 h LYS 730 Cb 0.28 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2qf7 h LYS 730 CO -0.21 0.40 -0.12 0.28 -2.27 0.00 0.00 179.45 177.53 2qf7 h VAL 731 N 0.46 1.33 -0.19 2.00 2.07 -1.02 -3.22 116.25 117.67 2qf7 h VAL 731 Ca 0.13 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2qf7 h VAL 731 Cb 0.04 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2qf7 h VAL 731 CO -0.02 0.37 0.02 0.25 0.02 0.00 0.00 177.57 178.21 2qf7 h LEU 732 N 0.04 0.31 -0.53 2.57 5.85 0.41 -2.38 115.31 121.58 2qf7 h LEU 732 Ca 0.03 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.35 2qf7 h LEU 732 Cb 0.63 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2qf7 h LEU 732 CO 0.03 0.50 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.73 2qf7 h PHE 733 N 0.10 0.00 -0.03 1.25 0.04 -1.04 0.10 116.94 117.37 2qf7 h PHE 733 Ca 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2qf7 h PHE 733 Cb 0.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 2qf7 h PHE 733 CO 0.02 0.64 0.02 -0.22 -0.60 0.00 0.00 178.31 178.17 2qf7 h LYS 734 N 0.00 0.04 -0.41 1.51 3.64 -1.56 -2.37 116.57 117.43 2qf7 h LYS 734 Ca -0.01 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2qf7 h LYS 734 Cb 1.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2qf7 h LYS 734 CO 0.08 0.08 0.03 0.00 -2.27 0.00 0.00 179.45 177.38 2qf7 h ALA 735 N 0.95 0.55 -0.74 5.00 0.00 -1.18 -2.55 119.26 121.28 2qf7 h ALA 735 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2qf7 h ALA 735 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2qf7 h ALA 735 CO -0.00 0.30 0.47 -0.07 0.00 0.00 0.00 179.25 179.95 2qf7 h LEU 736 N 0.54 0.78 -0.20 0.00 3.38 -0.99 -0.81 115.31 118.01 2qf7 h LEU 736 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qf7 h LEU 736 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qf7 h LEU 736 CO 0.02 0.54 0.00 0.54 0.09 0.00 0.00 178.44 179.63 2qf7 n ARG 737 N -4.63 0.16 0.01 1.13 1.74 -0.89 -1.62 116.66 112.56 2qf7 n ARG 737 Ca 0.08 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.30 2qf7 n ARG 737 Cb 0.08 -1.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.65 2qf7 n ARG 737 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2qf7 h GLU 738 N 0.00 0.03 0.07 5.56 5.08 -1.03 -3.39 114.58 120.90 2qf7 h GLU 738 Ca 0.00 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2qf7 h GLU 738 Cb 0.53 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2qf7 h GLU 738 CO 0.00 0.70 -1.09 0.00 -1.00 0.00 0.00 179.01 177.61 2qf7 h ALA 739 N 0.91 0.24 -3.22 3.43 0.00 -0.65 -3.46 119.26 116.51 2qf7 h ALA 739 Ca -0.23 -0.80 -0.32 0.00 0.00 0.00 0.00 54.91 53.56 2qf7 h ALA 739 Cb 1.96 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 19.53 2qf7 h ALA 739 CO 0.10 0.91 -0.75 -0.08 0.00 0.00 0.00 179.25 179.43 2qf7 s THR 740 N -2.94 0.74 -1.31 0.00 -1.32 -0.64 -4.81 115.64 105.36 2qf7 s THR 740 Ca -0.04 -1.19 0.27 0.00 -1.21 0.00 0.00 61.69 59.52 2qf7 s THR 740 Cb 0.08 -0.80 0.23 0.00 -1.51 0.00 0.00 72.50 70.50 2qf7 s THR 740 CO 0.87 -0.35 1.69 0.61 -2.21 0.00 0.00 174.62 175.23 2qf7 n GLY 741 N 1.35 -1.12 3.75 6.08 0.00 -1.26 -4.47 105.19 109.51 2qf7 n GLY 741 Ca -0.22 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.77 3.67 0.73 0.99 1.43 -1.26 -4.94 118.68 116.53 2qf7 s LEU 742 Ca 0.19 2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 55.66 2qf7 s LEU 742 Cb 0.19 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.89 2qf7 s LEU 742 CO 0.57 -1.70 1.12 -2.16 0.23 0.00 0.00 176.35 174.41 2qf7 s PRO 743 N -3.28 2.39 -0.02 1.29 0.04 -1.26 -4.81 135.00 129.35 2qf7 s PRO 743 Ca 0.78 1.39 0.08 0.00 0.04 0.00 0.00 61.00 63.29 2qf7 s PRO 743 Cb -0.34 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2qf7 s PRO 743 CO 0.37 -1.57 -0.25 0.42 0.04 0.00 0.00 177.00 176.00 2qf7 s ILE 744 N -2.49 1.99 -0.09 0.56 -1.09 -1.26 -1.23 121.20 117.59 2qf7 s ILE 744 Ca 0.66 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2qf7 s ILE 744 Cb -0.21 -1.65 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 2qf7 s ILE 744 CO 0.48 0.56 -0.08 -2.28 -1.23 0.00 0.00 174.94 172.39 2qf7 s HIS 745 N -0.58 1.36 -0.17 3.97 2.46 -0.43 -1.45 115.29 120.45 2qf7 s HIS 745 Ca 0.09 -0.60 -0.05 0.00 0.47 0.00 0.00 55.06 54.97 2qf7 s HIS 745 Cb -0.10 -1.11 -0.03 0.00 -0.13 0.00 0.00 32.58 31.21 2qf7 s HIS 745 CO -0.01 -0.41 -0.00 0.12 -2.47 0.00 0.00 174.74 171.97 2qf7 s PHE 746 N 1.39 3.10 -0.10 3.88 5.36 0.07 -1.09 117.98 130.59 2qf7 s PHE 746 Ca -0.01 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2qf7 s PHE 746 Cb -0.14 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2qf7 s PHE 746 CO -0.04 0.02 -0.20 -1.58 -1.46 0.00 0.00 175.22 171.96 2qf7 s HIS 747 N 0.40 2.23 0.26 10.12 5.65 -0.08 -1.52 115.29 132.35 2qf7 s HIS 747 Ca -0.01 -0.94 -0.00 0.00 0.25 0.00 0.00 55.06 54.35 2qf7 s HIS 747 Cb -0.14 -1.53 -0.03 0.00 -1.18 0.00 0.00 32.58 29.71 2qf7 s HIS 747 CO 0.02 -0.42 0.26 -0.08 -0.65 0.00 0.00 174.74 173.87 2qf7 s THR 748 N 0.56 0.00 0.15 0.89 -1.32 -1.26 -0.06 115.64 114.60 2qf7 s THR 748 Ca -0.15 -1.88 0.09 0.00 -1.21 0.00 0.00 61.69 58.54 2qf7 s THR 748 Cb -0.17 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2qf7 s THR 748 CO 0.05 0.00 -0.20 -1.00 -2.21 0.00 0.00 174.62 171.26 2qf7 s HIS 749 N -3.80 1.87 -0.33 9.09 3.76 -1.21 -4.40 115.29 120.27 2qf7 s HIS 749 Ca 0.37 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.93 2qf7 s HIS 749 Cb 0.04 -0.96 0.66 0.00 1.11 0.00 0.00 32.58 33.42 2qf7 s HIS 749 CO 0.17 0.31 1.72 -3.47 -0.85 0.00 0.00 174.74 172.62 2qf7 n ASP 750 N 0.56 3.98 -0.34 1.40 2.03 0.43 -4.16 116.55 120.44 2qf7 n ASP 750 Ca -0.15 -3.41 0.12 0.00 0.52 0.00 0.00 54.79 51.87 2qf7 n ASP 750 Cb 0.56 -0.72 0.31 0.00 -0.72 0.00 0.00 41.12 40.54 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 1.81 0.66 0.00 5.18 2.02 -0.82 -0.90 112.91 120.87 2qf7 h THR 751 Ca 0.32 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2qf7 h THR 751 Cb 2.23 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2qf7 h THR 751 CO 0.70 0.12 0.00 -1.54 0.37 0.00 0.00 175.52 175.17 2qf7 n SER 752 N -4.83 0.57 -0.05 4.18 3.41 -1.26 -0.96 113.62 114.68 2qf7 n SER 752 Ca 0.23 0.61 -0.01 0.00 -0.26 0.00 0.00 58.87 59.43 2qf7 n SER 752 Cb 0.58 -0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2qf7 n SER 752 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qf7 n GLY 753 N 0.49 0.44 0.00 5.00 0.00 -0.34 -4.15 105.19 106.63 2qf7 n GLY 753 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.80 0.47 0.27 -0.61 -5.35 -1.26 -4.84 119.36 105.24 2qf7 n ILE 754 Ca -0.01 -0.49 0.12 0.00 -0.27 0.00 0.00 62.75 62.10 2qf7 n ILE 754 Cb 0.11 0.81 0.77 0.00 -1.74 0.00 0.00 39.64 39.58 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 1.61 -0.30 -1.28 0.00 -1.85 -0.15 119.26 117.30 2qf7 h ALA 755 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2qf7 h ALA 755 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2qf7 h ALA 755 CO 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 2qf7 h ALA 756 N 1.95 1.40 -0.91 0.00 0.00 -1.94 0.11 119.26 119.87 2qf7 h ALA 756 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2qf7 h ALA 756 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2qf7 h ALA 756 CO 0.01 0.42 0.54 0.00 0.00 0.00 0.00 179.25 180.22 2qf7 h ALA 757 N 1.53 1.16 -0.27 0.00 0.00 -1.40 -1.15 119.26 119.13 2qf7 h ALA 757 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2qf7 h ALA 757 Cb 0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qf7 h ALA 757 CO 0.01 0.62 -0.25 1.15 0.00 0.00 0.00 179.25 180.78 2qf7 h THR 758 N 1.25 1.31 -0.10 0.00 2.02 -1.20 -0.50 112.91 115.69 2qf7 h THR 758 Ca 0.32 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 66.13 2qf7 h THR 758 Cb -0.05 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 2qf7 h THR 758 CO -0.06 0.45 -0.15 0.58 0.37 0.00 0.00 175.52 176.70 2qf7 h VAL 759 N 0.38 0.60 -0.30 3.16 2.07 -0.71 -0.66 116.25 120.80 2qf7 h VAL 759 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2qf7 h VAL 759 Cb 0.81 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2qf7 h VAL 759 CO 0.06 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.54 2qf7 h LEU 760 N -0.20 0.44 -0.55 2.57 3.38 -1.05 0.07 115.31 119.97 2qf7 h LEU 760 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2qf7 h LEU 760 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2qf7 h LEU 760 CO -0.22 0.54 0.24 0.00 0.09 0.00 0.00 178.44 179.09 2qf7 h ALA 761 N 1.52 0.71 -0.64 1.53 0.00 -0.83 -1.43 119.26 120.12 2qf7 h ALA 761 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qf7 h ALA 761 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2qf7 h ALA 761 CO 0.02 0.30 0.40 0.00 0.00 0.00 0.00 179.25 179.96 2qf7 h ALA 762 N 1.08 0.81 -0.03 0.00 0.00 -0.50 0.73 119.26 121.35 2qf7 h ALA 762 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qf7 h ALA 762 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qf7 h ALA 762 CO -0.02 0.27 0.01 0.28 0.00 0.00 0.00 179.25 179.80 2qf7 h VAL 763 N 0.86 1.11 -0.97 0.00 2.07 -0.81 -0.91 116.25 117.61 2qf7 h VAL 763 Ca 0.23 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.58 2qf7 h VAL 763 Cb -0.05 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2qf7 h VAL 763 CO -0.05 0.08 0.61 -0.08 0.02 0.00 0.00 177.57 178.16 2qf7 h GLU 764 N -0.08 0.86 0.00 1.57 4.57 -1.10 -0.18 114.58 120.22 2qf7 h GLU 764 Ca 0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qf7 h GLU 764 Cb 0.13 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2qf7 h GLU 764 CO -0.00 0.57 0.00 0.00 -1.18 0.00 0.00 179.01 178.40 2qf7 n ALA 765 N -2.37 2.05 0.00 2.92 0.00 0.24 -4.90 120.51 118.44 2qf7 n ALA 765 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qf7 n ALA 765 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.39 1.02 3.70 0.00 0.00 -0.08 -4.32 105.19 105.90 2qf7 n GLY 766 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.91 2.75 0.05 1.61 3.14 -0.40 -4.92 118.33 118.65 2qf7 n VAL 767 Ca 0.00 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.77 2qf7 n VAL 767 Cb 0.00 -1.54 -0.13 0.00 -1.06 0.00 0.00 33.84 31.11 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 1.91 0.17 -4.85 6.55 3.32 -1.60 -3.45 116.42 118.47 2qf7 h ASP 768 Ca -0.48 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.24 2qf7 h ASP 768 Cb 1.30 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 2qf7 h ASP 768 CO 0.59 1.18 -0.20 0.00 -1.72 0.00 0.00 179.24 179.09 2qf7 s ALA 769 N -2.65 -0.95 0.09 3.45 0.00 -0.79 -1.37 121.76 119.54 2qf7 s ALA 769 Ca -0.04 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2qf7 s ALA 769 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2qf7 s ALA 769 CO 0.84 -0.27 -0.08 0.14 0.00 0.00 0.00 175.76 176.39 2qf7 s VAL 770 N -1.11 0.77 0.03 0.00 -7.23 -0.18 -0.75 120.40 111.93 2qf7 s VAL 770 Ca -0.11 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2qf7 s VAL 770 Cb -0.04 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2qf7 s VAL 770 CO 0.05 -0.72 0.13 -1.81 -0.31 0.00 0.00 175.10 172.43 2qf7 s ASP 771 N -2.72 5.93 0.15 4.85 1.11 -0.58 -1.23 116.67 124.19 2qf7 s ASP 771 Ca 0.08 0.18 -0.17 0.00 0.18 0.00 0.00 52.55 52.81 2qf7 s ASP 771 Cb 0.01 -1.74 0.04 0.00 1.07 0.00 0.00 42.92 42.29 2qf7 s ASP 771 CO -0.02 0.22 0.45 0.00 1.18 0.00 0.00 175.17 177.00 2qf7 s ALA 772 N -1.34 -0.98 0.01 5.23 0.00 -0.66 -4.73 121.76 119.29 2qf7 s ALA 772 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2qf7 s ALA 772 Cb -0.12 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2qf7 s ALA 772 CO 0.20 -0.70 0.04 0.00 0.00 0.00 0.00 175.76 175.29 2qf7 s ALA 773 N -3.82 3.41 0.43 0.00 0.00 -1.05 -1.69 121.76 119.05 2qf7 s ALA 773 Ca 0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 2qf7 s ALA 773 Cb 0.01 -1.42 -0.11 0.00 0.00 0.00 0.00 23.12 21.60 2qf7 s ALA 773 CO -0.09 0.68 0.79 -1.33 0.00 0.00 0.00 175.76 175.81 2qf7 n MET 774 N 1.16 0.95 -0.23 0.00 2.81 -1.26 -1.08 117.12 119.46 2qf7 n MET 774 Ca -0.13 0.34 0.03 0.00 -1.81 0.00 0.00 57.70 56.13 2qf7 n MET 774 Cb 0.52 -1.79 0.12 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.13 -0.34 0.20 7.83 5.19 -1.92 0.14 116.42 128.66 2qf7 h ASP 775 Ca -0.43 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2qf7 h ASP 775 Cb 1.37 0.32 0.00 0.00 0.18 0.00 0.00 39.33 41.19 2qf7 h ASP 775 CO 0.54 -0.15 0.00 0.00 -3.12 0.00 0.00 179.24 176.51 2qf7 h ALA 776 N 1.64 1.00 -0.61 3.45 0.00 -1.88 -2.26 119.26 120.59 2qf7 h ALA 776 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.86 2qf7 h ALA 776 Cb 0.61 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.98 2qf7 h ALA 776 CO -0.60 0.00 -0.95 1.28 0.00 0.00 0.00 179.25 178.98 2qf7 n LEU 777 N -2.70 3.45 -4.70 0.00 4.77 0.48 -4.77 117.00 113.53 2qf7 n LEU 777 Ca -0.02 -3.99 -0.30 0.00 -0.03 0.00 0.00 56.01 51.68 2qf7 n LEU 777 Cb 0.10 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2qf7 n LEU 777 CO 0.17 1.63 -0.26 -0.94 -1.33 0.00 0.00 177.39 176.66 2qf7 s SER 778 N -3.69 4.03 0.00 -1.43 1.04 -0.85 -4.63 113.70 108.16 2qf7 s SER 778 Ca 0.40 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2qf7 s SER 778 Cb 0.37 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2qf7 s SER 778 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2qf7 n GLY 779 N -1.13 -1.12 7.00 7.32 0.00 0.48 -4.85 105.19 112.89 2qf7 n GLY 779 Ca -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.41 0.00 0.00 1.61 3.02 -1.24 -1.50 115.26 115.74 2qf7 n ASN 780 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 2qf7 n ASN 780 Cb 0.00 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.18 -1.28 3.41 -2.24 -1.26 -0.20 114.28 112.88 2qf7 n THR 781 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2qf7 n THR 781 Cb 0.00 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.32 0.00 -4.82 3.42 2.88 -0.56 -4.44 113.62 108.78 2qf7 n SER 782 Ca 0.11 -0.75 -0.31 0.00 -1.33 0.00 0.00 58.87 56.60 2qf7 n SER 782 Cb 0.22 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.85 2.73 1.00 -1.46 1.11 -1.26 -0.43 119.66 119.51 2qf7 s GLN 783 Ca 0.00 0.84 -0.12 0.00 0.01 0.00 0.00 55.36 56.09 2qf7 s GLN 783 Cb 0.00 -1.98 0.19 0.00 -1.01 0.00 0.00 33.01 30.22 2qf7 s GLN 783 CO 0.00 -1.21 1.08 -1.25 0.01 0.00 0.00 175.29 173.92 2qf7 s PRO 784 N -5.09 0.37 -0.09 2.91 0.04 -1.26 -0.38 135.00 131.49 2qf7 s PRO 784 Ca 0.59 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 2qf7 s PRO 784 Cb -0.14 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2qf7 s PRO 784 CO 0.55 -2.87 1.38 0.00 0.04 0.00 0.00 177.00 176.10 2qf7 h LEU 786 N 9.36 0.30 -0.68 0.00 5.85 -1.41 -2.20 115.31 126.52 2qf7 h LEU 786 Ca -0.33 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2qf7 h LEU 786 Cb 1.15 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2qf7 h LEU 786 CO 0.94 0.41 0.41 1.23 -0.34 0.00 0.00 178.44 181.08 2qf7 h GLY 787 N 0.18 1.00 1.41 3.75 0.00 -1.92 -0.78 103.07 106.70 2qf7 h GLY 787 Ca 0.07 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 2qf7 h GLY 787 CO -0.00 0.41 -0.86 1.76 0.00 0.00 0.00 176.54 177.84 2qf7 h SER 788 N 0.93 0.69 -0.44 0.19 0.02 -1.95 -0.73 113.55 112.26 2qf7 h SER 788 Ca 0.24 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2qf7 h SER 788 Cb -0.02 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2qf7 h SER 788 CO -0.04 1.28 0.26 0.40 -1.14 0.00 0.00 176.83 177.58 2qf7 h ILE 789 N 0.35 1.14 0.02 3.27 2.04 -1.26 0.27 117.51 123.35 2qf7 h ILE 789 Ca -0.07 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2qf7 h ILE 789 Cb 1.48 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2qf7 h ILE 789 CO 0.16 0.15 -0.01 0.58 0.00 0.00 0.00 178.15 179.03 2qf7 h VAL 790 N 0.58 0.99 -1.00 1.67 2.07 -1.07 -2.61 116.25 116.90 2qf7 h VAL 790 Ca 0.16 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.75 2qf7 h VAL 790 Cb 0.01 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2qf7 h VAL 790 CO -0.03 0.01 0.63 -0.33 0.02 0.00 0.00 177.57 177.87 2qf7 h GLU 791 N -0.05 0.96 -0.46 1.57 4.39 -0.95 -0.87 114.58 119.17 2qf7 h GLU 791 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2qf7 h GLU 791 Cb 0.04 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2qf7 h GLU 791 CO 0.00 0.63 0.30 0.00 -1.16 0.00 0.00 179.01 178.79 2qf7 h ALA 792 N 1.54 1.65 -0.01 3.43 0.00 -0.58 -2.56 119.26 122.72 2qf7 h ALA 792 Ca 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2qf7 h ALA 792 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qf7 h ALA 792 CO -0.27 0.32 -0.27 1.28 0.00 0.00 0.00 179.25 180.31 2qf7 n LEU 793 N -4.46 1.57 -4.72 0.00 4.77 -0.45 -4.92 117.00 108.80 2qf7 n LEU 793 Ca 0.04 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 2qf7 n LEU 793 Cb 0.06 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2qf7 n LEU 793 CO 0.36 0.28 1.28 -0.55 -1.33 0.00 0.00 177.39 177.43 2qf7 s SER 794 N -2.38 6.51 0.00 -1.43 0.15 -0.51 -1.59 113.70 114.45 2qf7 s SER 794 Ca 0.25 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.61 2qf7 s SER 794 Cb 0.19 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2qf7 s SER 794 CO 0.49 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2qf7 n GLY 795 N 3.82 1.23 3.97 9.45 0.00 -1.26 -5.04 105.19 117.35 2qf7 n GLY 795 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.13 4.05 0.32 1.61 1.04 -0.62 -4.98 113.70 112.00 2qf7 s SER 796 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2qf7 s SER 796 Cb 0.00 -0.26 0.54 0.00 0.10 0.00 0.00 66.02 66.41 2qf7 s SER 796 CO 0.00 -2.08 1.97 -0.33 0.98 0.00 0.00 173.24 173.78 2qf7 h GLU 797 N -0.86 0.90 -0.46 4.02 4.39 -1.96 -2.95 114.58 117.65 2qf7 h GLU 797 Ca -0.40 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2qf7 h GLU 797 Cb 1.26 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2qf7 h GLU 797 CO 0.42 0.63 0.00 0.54 -1.16 0.00 0.00 179.01 179.44 2qf7 n ARG 798 N -4.40 3.42 -1.67 2.33 1.74 -1.26 -4.61 116.66 112.20 2qf7 n ARG 798 Ca 0.07 -2.72 -0.65 0.00 -0.77 0.00 0.00 57.85 53.78 2qf7 n ARG 798 Cb 0.07 -1.77 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 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 0.48 1.06 0.00 0.55 -0.08 -1.12 -1.78 116.55 115.67 2qf7 n ASP 799 Ca 0.22 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.74 2qf7 n ASP 799 Cb 0.82 -0.85 0.46 0.00 2.34 0.00 0.00 41.12 43.88 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 3.65 0.10 -2.97 -0.67 -0.04 -1.26 -4.58 135.00 129.23 2qf7 n PRO 800 Ca 0.29 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2qf7 n PRO 800 Cb -0.05 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.52 -0.09 3.29 0.55 0.00 -1.26 -4.95 105.19 103.26 2qf7 n GLY 801 Ca 0.07 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.92 2.25 -0.28 0.99 1.43 -1.26 -4.80 118.68 112.09 2qf7 s LEU 802 Ca 0.03 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2qf7 s LEU 802 Cb -0.01 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.77 2qf7 s LEU 802 CO 0.48 0.21 1.19 -0.62 0.23 0.00 0.00 176.35 177.84 2qf7 s ASP 803 N 0.05 6.85 0.42 2.29 -1.08 -1.26 -4.91 116.67 119.03 2qf7 s ASP 803 Ca -0.09 1.23 0.14 0.00 -0.52 0.00 0.00 52.55 53.31 2qf7 s ASP 803 Cb -0.15 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.66 2qf7 s ASP 803 CO 0.06 -0.92 1.92 -0.65 0.52 0.00 0.00 175.17 176.10 2qf7 h PRO 804 N 8.50 0.00 -0.46 4.34 0.11 -1.99 -1.37 132.00 141.13 2qf7 h PRO 804 Ca -0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 2qf7 h PRO 804 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2qf7 h PRO 804 CO 1.02 0.26 -0.14 0.00 -0.21 0.00 0.00 178.00 178.93 2qf7 h ALA 805 N 1.74 0.87 -0.04 -0.75 0.00 -1.99 0.42 119.26 119.51 2qf7 h ALA 805 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2qf7 h ALA 805 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2qf7 h ALA 805 CO 0.03 0.64 -0.77 -1.49 0.00 0.00 0.00 179.25 177.66 2qf7 h TRP 806 N 0.78 0.42 -0.41 0.00 4.06 -1.81 -0.91 115.95 118.07 2qf7 h TRP 806 Ca 0.12 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 2qf7 h TRP 806 Cb 0.67 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 2qf7 h TRP 806 CO 0.04 0.96 0.23 0.82 -3.56 0.00 0.00 178.44 176.93 2qf7 h ILE 807 N 0.20 1.15 -0.56 1.49 2.04 -0.96 -1.49 117.51 119.37 2qf7 h ILE 807 Ca -0.03 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2qf7 h ILE 807 Cb 1.35 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2qf7 h ILE 807 CO 0.12 0.15 0.21 0.03 0.00 0.00 0.00 178.15 178.67 2qf7 h ARG 808 N 0.54 0.85 -0.72 2.37 3.08 -0.79 0.63 114.38 120.33 2qf7 h ARG 808 Ca 0.15 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2qf7 h ARG 808 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2qf7 h ARG 808 CO -0.02 0.74 0.46 0.00 -1.07 0.00 0.00 179.97 180.08 2qf7 h ARG 809 N 0.77 0.89 -0.24 0.04 3.08 -1.04 0.80 114.38 118.68 2qf7 h ARG 809 Ca 0.19 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 2qf7 h ARG 809 Cb 0.22 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2qf7 h ARG 809 CO -0.01 0.59 -0.52 0.82 -1.07 0.00 0.00 179.97 179.77 2qf7 h ILE 810 N 0.91 1.30 -0.59 2.04 2.04 -1.01 -2.46 117.51 119.74 2qf7 h ILE 810 Ca 0.28 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 2qf7 h ILE 810 Cb -0.02 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2qf7 h ILE 810 CO -0.09 0.55 0.23 -1.28 0.00 0.00 0.00 178.15 177.56 2qf7 h SER 811 N 0.54 0.79 -0.80 1.72 0.87 -0.46 -1.50 113.55 114.71 2qf7 h SER 811 Ca 0.02 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2qf7 h SER 811 Cb 1.08 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 2qf7 h SER 811 CO 0.11 0.71 0.37 -0.26 -0.53 0.00 0.00 176.83 177.22 2qf7 h PHE 812 N 0.85 1.16 -0.04 2.24 0.04 -0.65 0.13 116.94 120.67 2qf7 h PHE 812 Ca 0.20 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2qf7 h PHE 812 Cb 0.17 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2qf7 h PHE 812 CO 0.01 0.85 -0.08 -0.92 -0.60 0.00 0.00 178.31 177.57 2qf7 h TYR 813 N 1.13 -0.20 -0.56 -0.55 3.20 -1.09 -2.19 116.97 116.71 2qf7 h TYR 813 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2qf7 h TYR 813 Cb 0.14 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2qf7 h TYR 813 CO 0.01 -0.13 0.31 -1.49 -1.64 0.00 0.00 178.16 175.23 2qf7 h TRP 814 N -0.13 0.75 -0.26 -3.82 4.06 -0.49 -0.68 115.95 115.38 2qf7 h TRP 814 Ca 0.05 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.01 2qf7 h TRP 814 Cb 0.19 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 2qf7 h TRP 814 CO -0.17 0.52 0.12 1.49 -3.56 0.00 0.00 178.44 176.84 2qf7 h GLU 815 N 0.78 0.25 -0.72 0.49 4.81 -0.53 0.44 114.58 120.10 2qf7 h GLU 815 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2qf7 h GLU 815 Cb 0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2qf7 h GLU 815 CO -0.03 0.16 0.26 0.00 -0.73 0.00 0.00 179.01 178.67 2qf7 h ALA 816 N 1.14 0.93 -0.15 2.92 0.00 -0.95 -1.87 119.26 121.28 2qf7 h ALA 816 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qf7 h ALA 816 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qf7 h ALA 816 CO -0.09 0.58 0.09 0.28 0.00 0.00 0.00 179.25 180.10 2qf7 h VAL 817 N 1.04 1.09 -0.73 0.00 2.07 -0.78 -3.08 116.25 115.87 2qf7 h VAL 817 Ca 0.24 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2qf7 h VAL 817 Cb 0.25 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2qf7 h VAL 817 CO -0.02 0.09 0.48 -0.09 0.02 0.00 0.00 177.57 178.05 2qf7 h ARG 818 N 0.15 0.94 -0.80 1.57 2.43 0.06 -1.02 114.38 117.72 2qf7 h ARG 818 Ca 0.05 -0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 2qf7 h ARG 818 Cb 0.06 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2qf7 h ARG 818 CO -0.01 0.62 0.61 -0.91 -1.51 0.00 0.00 179.97 178.77 2qf7 h ASN 819 N 0.97 0.00 1.16 -3.80 2.35 -1.24 -0.67 115.58 114.35 2qf7 h ASN 819 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2qf7 h ASN 819 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 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 -0.65 0.81 4.20 -1.26 -3.20 115.11 115.00 2qf7 h GLN 820 Ca 0.38 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.84 2qf7 h GLN 820 Cb 1.60 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 29.23 2qf7 h GLN 820 CO -0.00 0.00 0.25 0.66 -0.67 0.00 0.00 178.83 179.06 2qf7 n TYR 821 N -2.63 2.11 -0.38 2.96 4.01 -0.26 -4.69 117.16 118.28 2qf7 n TYR 821 Ca 0.03 -1.40 0.29 0.00 -0.16 0.00 0.00 57.90 56.66 2qf7 n TYR 821 Cb 0.34 -0.66 0.57 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.81 2.41 -0.17 -0.72 0.00 -1.67 -0.93 119.26 120.00 2qf7 h ALA 822 Ca 0.31 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.38 2qf7 h ALA 822 Cb 2.20 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2qf7 h ALA 822 CO 0.68 -0.96 0.16 0.00 0.00 0.00 0.00 179.25 179.13 2qf7 h ALA 823 N 1.66 1.87 -0.41 0.00 0.00 -1.73 -3.04 119.26 117.61 2qf7 h ALA 823 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2qf7 h ALA 823 Cb 2.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2qf7 h ALA 823 CO -0.42 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 179.78 2qf7 n PHE 824 N -3.99 0.78 -2.88 0.00 3.72 -0.35 -4.54 117.46 110.19 2qf7 n PHE 824 Ca 0.01 -0.60 -0.36 0.00 -0.05 0.00 0.00 57.45 56.45 2qf7 n PHE 824 Cb 0.28 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.54 4.40 0.72 -1.08 0.41 -1.15 -4.36 118.70 116.09 2qf7 s GLU 825 Ca 0.34 1.14 -0.01 0.00 -0.41 0.00 0.00 54.97 56.02 2qf7 s GLU 825 Cb 0.21 -2.66 0.12 0.00 -1.78 0.00 0.00 34.13 30.02 2qf7 s GLU 825 CO 0.17 0.23 1.00 -1.54 -0.49 0.00 0.00 175.26 174.63 2qf7 s SER 826 N -1.79 4.36 -0.05 -0.19 1.04 -1.26 -5.00 113.70 110.80 2qf7 s SER 826 Ca 0.51 -0.30 0.15 0.00 0.48 0.00 0.00 55.95 56.79 2qf7 s SER 826 Cb -0.16 -0.10 0.52 0.00 0.10 0.00 0.00 66.02 66.38 2qf7 s SER 826 CO 0.20 -1.85 1.41 0.47 0.98 0.00 0.00 173.24 174.45 2qf7 n ASP 827 N -2.85 3.40 -4.73 7.02 8.00 -1.26 -4.97 116.55 121.16 2qf7 n ASP 827 Ca 0.14 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.02 2qf7 n ASP 827 Cb 0.60 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2qf7 n ASP 827 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qf7 s LEU 828 N -1.31 4.39 0.00 0.64 2.96 -1.26 -4.92 118.68 119.19 2qf7 s LEU 828 Ca 0.38 2.44 0.22 0.00 -0.22 0.00 0.00 54.13 56.95 2qf7 s LEU 828 Cb 0.23 -3.60 -0.27 0.00 0.50 0.00 0.00 46.19 43.04 2qf7 s LEU 828 CO 0.21 -0.62 0.62 0.29 -1.32 0.00 0.00 176.35 175.52 2qf7 n LYS 829 N 3.10 0.57 -3.13 1.98 4.76 -1.26 -5.08 118.16 119.10 2qf7 n LYS 829 Ca 0.09 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2qf7 n LYS 829 Cb 0.42 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2qf7 n LYS 829 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qf7 n GLY 830 N 1.28 -0.52 3.61 0.72 0.00 -1.26 -5.12 105.19 103.90 2qf7 n GLY 830 Ca -0.02 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 0.53 -3.36 1.61 -0.02 -1.26 -4.92 135.00 127.58 2qf7 n PRO 831 Ca 0.00 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2qf7 n PRO 831 Cb 0.00 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 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 -1.80 -0.95 -0.53 3.55 0.00 -0.14 -4.95 121.76 116.94 2qf7 s ALA 832 Ca 0.73 0.52 0.18 0.00 0.00 0.00 0.00 51.96 53.40 2qf7 s ALA 832 Cb -0.35 -1.75 0.86 0.00 0.00 0.00 0.00 23.12 21.88 2qf7 s ALA 832 CO 0.50 -1.43 1.56 -1.13 0.00 0.00 0.00 175.76 175.26 2qf7 n SER 833 N 5.35 0.44 -0.04 0.00 3.41 -1.26 -2.55 113.62 118.98 2qf7 n SER 833 Ca -0.03 0.65 0.24 0.00 -0.26 0.00 0.00 58.87 59.47 2qf7 n SER 833 Cb 0.49 -0.73 0.72 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.93 4.33 4.81 -1.94 -1.47 114.58 119.37 2qf7 h GLU 834 Ca 0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 2qf7 h GLU 834 Cb 0.17 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2qf7 h GLU 834 CO 0.00 0.00 0.63 -0.24 -0.73 0.00 0.00 179.01 178.67 2qf7 h VAL 835 N 0.00 0.62 0.00 0.32 3.04 -1.86 0.30 116.25 118.67 2qf7 h VAL 835 Ca 0.30 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.88 2qf7 h VAL 835 Cb 1.35 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 2qf7 h VAL 835 CO -0.00 0.06 0.00 1.88 -1.01 0.00 0.00 177.57 178.49 2qf7 h TYR 836 N 0.31 0.00 0.00 3.17 0.05 -1.54 0.43 116.97 119.39 2qf7 h TYR 836 Ca 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.26 2qf7 h TYR 836 Cb 1.37 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.11 2qf7 h TYR 836 CO -0.00 0.00 -0.01 1.25 -1.05 0.00 0.00 178.16 178.35 2qf7 h LEU 837 N 0.00 0.00 0.00 3.88 5.85 -0.59 -3.41 115.31 121.04 2qf7 h LEU 837 Ca 0.00 -0.23 -0.28 0.00 0.84 0.00 0.00 57.88 58.21 2qf7 h LEU 837 Cb 0.63 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2qf7 h LEU 837 CO 0.00 0.62 -1.58 1.12 -0.34 0.00 0.00 178.44 178.26 2qf7 h HIS 838 N -1.00 0.01 -2.62 1.25 2.07 -1.25 -3.43 115.15 110.17 2qf7 h HIS 838 Ca -0.00 -0.01 -0.40 0.00 -2.85 0.00 0.00 60.37 57.11 2qf7 h HIS 838 Cb 0.24 -0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.18 2qf7 h HIS 838 CO 0.06 1.01 -0.50 0.39 -3.07 0.00 0.00 177.93 175.83 2qf7 n GLU 839 N -3.11 -1.57 -2.14 5.12 1.02 0.15 -4.49 120.64 115.62 2qf7 n GLU 839 Ca -0.14 1.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.58 2qf7 n GLU 839 Cb 1.03 -5.58 -0.03 0.00 -0.02 0.00 0.00 31.44 26.84 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 -4.84 4.30 0.49 3.49 -1.94 -1.26 -4.84 119.30 114.71 2qf7 s MET 840 Ca 0.00 2.11 -0.23 0.00 -1.71 0.00 0.00 55.69 55.86 2qf7 s MET 840 Cb 0.00 -3.28 -0.06 0.00 2.01 0.00 0.00 34.83 33.50 2qf7 s MET 840 CO 0.00 -0.48 1.36 -2.14 -0.01 0.00 0.00 175.02 173.75 2qf7 s PRO 841 N 1.27 3.44 0.31 2.03 0.02 -1.26 -4.68 135.00 136.12 2qf7 s PRO 841 Ca 0.66 2.26 0.06 0.00 0.02 0.00 0.00 61.00 63.99 2qf7 s PRO 841 Cb -0.37 -2.45 0.72 0.00 0.02 0.00 0.00 34.50 32.42 2qf7 s PRO 841 CO 0.30 -0.96 1.81 0.78 -0.33 0.00 0.00 177.00 178.60 2qf7 h GLY 842 N 1.90 1.64 2.00 0.52 0.00 -1.18 0.50 103.07 108.45 2qf7 h GLY 842 Ca -0.51 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2qf7 h GLY 842 CO 0.59 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.76 2qf7 n GLY 843 N -1.36 -1.01 0.10 4.60 0.00 -1.26 -3.26 105.19 103.00 2qf7 n GLY 843 Ca 0.21 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.89 0.84 -0.22 1.61 7.27 0.17 -4.74 117.38 120.42 2qf7 n GLN 844 Ca 0.02 0.07 -0.01 0.00 0.07 0.00 0.00 57.00 57.14 2qf7 n GLN 844 Cb 0.15 -1.44 0.06 0.00 2.41 0.00 0.00 30.24 31.42 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 -0.52 -0.19 3.69 3.57 -1.40 0.03 116.94 122.12 2qf7 h PHE 845 Ca -0.47 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 60.96 2qf7 h PHE 845 Cb 1.88 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.95 2qf7 h PHE 845 CO 0.01 -0.32 -0.40 1.15 -2.23 0.00 0.00 178.31 176.53 2qf7 h THR 846 N -0.05 1.33 -0.62 4.41 2.02 -1.86 -1.20 112.91 116.94 2qf7 h THR 846 Ca 0.30 -1.63 0.07 0.00 0.77 0.00 0.00 66.41 65.92 2qf7 h THR 846 Cb 0.52 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2qf7 h THR 846 CO -0.70 0.50 0.30 0.78 0.37 0.00 0.00 175.52 176.78 2qf7 h ASN 847 N 0.28 0.40 -0.27 4.18 -0.26 -1.63 -1.65 115.58 116.64 2qf7 h ASN 847 Ca 0.00 0.05 -0.14 0.00 -0.56 0.00 0.00 56.30 55.65 2qf7 h ASN 847 Cb 1.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 2qf7 h ASN 847 CO 0.09 0.25 -0.36 0.25 -1.06 0.00 0.00 177.43 176.60 2qf7 h LEU 848 N 0.55 0.85 -0.88 1.61 5.85 -0.82 0.11 115.31 122.58 2qf7 h LEU 848 Ca 0.30 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2qf7 h LEU 848 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2qf7 h LEU 848 CO -0.23 1.11 0.03 0.50 -0.34 0.00 0.00 178.44 179.52 2qf7 h LYS 849 N 0.67 0.86 -0.31 1.25 3.64 -0.89 0.23 116.57 122.02 2qf7 h LYS 849 Ca 0.06 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 59.06 2qf7 h LYS 849 Cb 0.91 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2qf7 h LYS 849 CO 0.08 0.84 -0.43 0.93 -2.27 0.00 0.00 179.45 178.60 2qf7 h GLU 850 N 0.80 0.83 -0.78 1.90 5.08 -1.14 -0.88 114.58 120.40 2qf7 h GLU 850 Ca 0.16 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2qf7 h GLU 850 Cb 0.44 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2qf7 h GLU 850 CO 0.02 1.12 0.34 0.37 -1.00 0.00 0.00 179.01 179.86 2qf7 h GLN 851 N 0.61 1.14 -0.51 2.33 4.15 -0.54 -0.70 115.11 121.59 2qf7 h GLN 851 Ca 0.03 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 2qf7 h GLN 851 Cb 1.03 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 2qf7 h GLN 851 CO 0.10 0.90 0.32 0.00 -1.93 0.00 0.00 178.83 178.22 2qf7 h ALA 852 N 1.25 0.65 -0.72 3.38 0.00 -0.31 -2.80 119.26 120.70 2qf7 h ALA 852 Ca 0.27 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2qf7 h ALA 852 Cb 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2qf7 h ALA 852 CO -0.03 0.12 0.41 -0.09 0.00 0.00 0.00 179.25 179.66 2qf7 h ARG 853 N 0.69 0.71 0.00 0.00 2.43 -0.73 -0.01 114.38 117.46 2qf7 h ARG 853 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2qf7 h ARG 853 Cb -0.03 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2qf7 h ARG 853 CO -0.04 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 2qf7 h SER 854 N 0.73 0.00 -0.61 -3.80 4.64 -0.89 -1.42 113.55 112.20 2qf7 h SER 854 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2qf7 h SER 854 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2qf7 h SER 854 CO -0.20 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.94 2qf7 n LEU 855 N -3.00 4.40 -0.19 5.97 4.77 -0.77 -4.95 117.00 123.23 2qf7 n LEU 855 Ca -0.02 -2.36 -0.02 0.00 -0.03 0.00 0.00 56.01 53.57 2qf7 n LEU 855 Cb 0.11 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2qf7 n LEU 855 CO 0.21 0.83 -0.02 0.61 -1.33 0.00 0.00 177.39 177.68 2qf7 n GLY 856 N 1.05 0.53 1.08 -0.72 0.00 -0.53 -4.94 105.19 101.66 2qf7 n GLY 856 Ca 0.24 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.28 3.93 -0.19 0.99 4.77 -0.09 -4.71 117.00 121.43 2qf7 n LEU 857 Ca -0.02 -2.47 0.04 0.00 -0.03 0.00 0.00 56.01 53.52 2qf7 n LEU 857 Cb 0.12 -0.46 0.31 0.00 -2.33 0.00 0.00 43.42 41.07 2qf7 n LEU 857 CO 0.04 0.75 1.22 -0.33 -1.33 0.00 0.00 177.39 177.74 2qf7 h GLU 858 N 2.75 0.83 0.00 3.23 4.39 -1.81 0.57 114.58 124.55 2qf7 h GLU 858 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qf7 h GLU 858 Cb 1.22 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2qf7 h GLU 858 CO 0.16 0.55 0.00 0.25 -1.16 0.00 0.00 179.01 178.80 2qf7 n THR 859 N -4.46 0.05 -1.57 1.13 -2.24 -1.26 -3.31 114.28 102.62 2qf7 n THR 859 Ca 0.10 0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 2qf7 n THR 859 Cb 0.15 -0.54 0.19 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.19 1.46 -0.15 -0.78 1.74 0.18 -4.78 116.66 113.15 2qf7 n ARG 860 Ca 0.17 -3.13 -0.05 0.00 -0.77 0.00 0.00 57.85 54.07 2qf7 n ARG 860 Cb 0.18 -1.52 0.13 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.85 0.94 0.00 -1.55 2.91 -1.53 -1.08 115.95 116.49 2qf7 h TRP 861 Ca -0.01 -0.12 -0.12 0.00 1.13 0.00 0.00 58.89 59.77 2qf7 h TRP 861 Cb 1.04 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 2qf7 h TRP 861 CO 0.62 0.83 -0.57 0.45 -1.03 0.00 0.00 178.44 178.74 2qf7 h HIS 862 N 0.83 0.00 -0.42 2.65 3.86 -1.89 -0.44 115.15 119.74 2qf7 h HIS 862 Ca 0.17 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2qf7 h HIS 862 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2qf7 h HIS 862 CO 0.03 0.57 0.02 1.96 0.86 0.00 0.00 177.93 181.36 2qf7 h GLN 863 N 0.00 0.67 -0.41 2.45 4.20 -1.69 -1.57 115.11 118.76 2qf7 h GLN 863 Ca -0.01 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2qf7 h GLN 863 Cb 1.10 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2qf7 h GLN 863 CO 0.07 0.67 0.06 0.28 -0.67 0.00 0.00 178.83 179.25 2qf7 h VAL 864 N 0.63 1.24 -0.86 -0.54 2.07 -0.53 -0.06 116.25 118.21 2qf7 h VAL 864 Ca 0.13 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2qf7 h VAL 864 Cb 0.37 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2qf7 h VAL 864 CO 0.01 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.39 2qf7 h ALA 865 N 0.92 1.25 -0.38 1.67 0.00 -0.93 0.16 119.26 121.96 2qf7 h ALA 865 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2qf7 h ALA 865 Cb 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qf7 h ALA 865 CO 0.01 0.62 -0.29 0.37 0.00 0.00 0.00 179.25 179.96 2qf7 h GLN 866 N 1.19 0.86 -0.27 0.00 5.75 -1.17 -2.13 115.11 119.34 2qf7 h GLN 866 Ca 0.30 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2qf7 h GLN 866 Cb -0.01 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2qf7 h GLN 866 CO -0.05 1.07 0.02 0.00 -2.65 0.00 0.00 178.83 177.22 2qf7 h ALA 867 N 0.78 1.54 -0.14 3.38 0.00 -0.46 -0.11 119.26 124.25 2qf7 h ALA 867 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qf7 h ALA 867 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2qf7 h ALA 867 CO 0.08 0.34 0.02 -0.92 0.00 0.00 0.00 179.25 178.77 2qf7 h TYR 868 N 0.39 0.24 -0.39 0.00 3.20 -0.56 0.25 116.97 120.10 2qf7 h TYR 868 Ca 0.09 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2qf7 h TYR 868 Cb 0.23 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2qf7 h TYR 868 CO 0.01 0.40 0.24 0.00 -1.64 0.00 0.00 178.16 177.16 2qf7 h ALA 869 N 0.81 0.49 -0.56 1.82 0.00 -1.07 -0.78 119.26 119.97 2qf7 h ALA 869 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qf7 h ALA 869 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qf7 h ALA 869 CO 0.00 -0.09 0.22 -0.44 0.00 0.00 0.00 179.25 178.93 2qf7 h ASP 870 N 0.48 0.77 -0.49 0.00 3.32 -0.84 -2.73 116.42 116.92 2qf7 h ASP 870 Ca 0.15 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2qf7 h ASP 870 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2qf7 h ASP 870 CO -0.06 0.74 0.08 0.00 -1.72 0.00 0.00 179.24 178.27 2qf7 h ALA 871 N 1.07 0.65 -0.47 3.45 0.00 -0.41 -0.34 119.26 123.21 2qf7 h ALA 871 Ca 0.18 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2qf7 h ALA 871 Cb 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2qf7 h ALA 871 CO -0.01 0.39 -0.02 -0.97 0.00 0.00 0.00 179.25 178.63 2qf7 h ASN 872 N 0.69 -0.24 -0.23 0.00 -1.24 -0.98 -0.29 115.58 113.28 2qf7 h ASN 872 Ca 0.15 0.12 -0.09 0.00 0.71 0.00 0.00 56.30 57.18 2qf7 h ASN 872 Cb 0.40 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 2qf7 h ASN 872 CO 0.01 -0.08 -0.17 1.56 -1.29 0.00 0.00 177.43 177.46 2qf7 h GLN 873 N 0.09 0.66 -0.63 6.67 1.08 -1.25 0.40 115.11 122.14 2qf7 h GLN 873 Ca 0.24 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2qf7 h GLN 873 Cb 0.36 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 2qf7 h GLN 873 CO -0.41 0.79 0.41 1.98 -0.95 0.00 0.00 178.83 180.66 2qf7 h MET 874 N 0.59 0.81 -0.00 1.46 4.05 -0.34 -1.83 114.93 119.66 2qf7 h MET 874 Ca 0.10 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2qf7 h MET 874 Cb 0.62 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2qf7 h MET 874 CO 0.04 0.53 -0.00 1.19 0.23 0.00 0.00 176.91 178.91 2qf7 n PHE 875 N -4.45 0.00 0.00 1.39 3.72 -0.19 -4.82 117.46 113.12 2qf7 n PHE 875 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2qf7 n PHE 875 Cb 0.06 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 1.14 0.95 1.70 1.37 0.00 -0.69 -4.49 105.19 105.18 2qf7 n GLY 876 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.90 -4.57 1.61 -0.08 0.10 -4.97 116.55 105.74 2qf7 n ASP 877 Ca 0.00 0.24 -0.25 0.00 -1.51 0.00 0.00 54.79 53.27 2qf7 n ASP 877 Cb 0.00 -1.72 -0.09 0.00 2.34 0.00 0.00 41.12 41.65 2qf7 n ASP 877 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qf7 s ILE 878 N -0.26 2.58 0.15 5.18 -4.36 -1.26 -5.03 121.20 118.19 2qf7 s ILE 878 Ca -0.00 -2.13 -0.31 0.00 -0.26 0.00 0.00 60.65 57.94 2qf7 s ILE 878 Cb 0.00 -2.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 2qf7 s ILE 878 CO 0.13 -0.27 1.39 -0.69 0.24 0.00 0.00 174.94 175.74 2qf7 s VAL 879 N -2.52 3.19 -0.36 8.37 1.01 -1.26 -5.00 120.40 123.83 2qf7 s VAL 879 Ca 0.33 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2qf7 s VAL 879 Cb -0.01 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.90 2qf7 s VAL 879 CO 0.18 0.09 0.07 -0.54 0.00 0.00 0.00 175.10 174.90 2qf7 s LYS 880 N 0.73 1.54 0.12 2.72 1.02 -1.26 -4.69 119.74 119.92 2qf7 s LYS 880 Ca 0.63 -1.95 -0.13 0.00 0.02 0.00 0.00 55.97 54.53 2qf7 s LYS 880 Cb -0.38 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2qf7 s LYS 880 CO 0.33 -0.96 0.33 0.54 -0.92 0.00 0.00 175.35 174.67 2qf7 s VAL 881 N 0.78 0.09 0.25 3.17 0.11 -1.26 -4.53 120.40 119.01 2qf7 s VAL 881 Ca 0.12 -0.82 -0.31 0.00 -2.93 0.00 0.00 61.98 58.04 2qf7 s VAL 881 Cb -0.20 -1.27 -0.13 0.00 -1.53 0.00 0.00 36.38 33.25 2qf7 s VAL 881 CO -0.07 -0.42 1.53 1.07 -3.33 0.00 0.00 175.10 173.88 2qf7 n THR 882 N -0.18 0.82 0.74 5.04 5.66 -1.26 -0.16 114.28 124.94 2qf7 n THR 882 Ca -0.15 -0.20 0.12 0.00 -3.05 0.00 0.00 64.05 60.76 2qf7 n THR 882 Cb 0.63 -1.72 0.23 0.00 -1.55 0.00 0.00 70.33 67.93 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 2.36 2.28 0.12 1.09 -0.04 -1.26 -4.62 135.00 134.93 2qf7 n PRO 883 Ca 0.11 -1.90 0.04 0.00 -0.04 0.00 0.00 63.50 61.71 2qf7 n PRO 883 Cb 0.34 -1.48 0.45 0.00 -0.04 0.00 0.00 33.50 32.77 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 4.03 0.24 -0.85 3.54 4.64 -0.87 -2.13 113.55 122.14 2qf7 h SER 884 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2qf7 h SER 884 Cb 0.88 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 2qf7 h SER 884 CO 0.00 0.29 0.55 0.77 -0.87 0.00 0.00 176.83 177.57 2qf7 h SER 885 N 0.26 0.99 -0.72 4.97 4.64 -1.64 -2.55 113.55 119.50 2qf7 h SER 885 Ca 0.06 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 2qf7 h SER 885 Cb 0.19 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2qf7 h SER 885 CO 0.00 0.73 0.22 0.50 -0.87 0.00 0.00 176.83 177.42 2qf7 h LYS 886 N 1.16 1.12 -0.06 4.77 3.64 -1.67 -0.43 116.57 125.12 2qf7 h LYS 886 Ca 0.31 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2qf7 h LYS 886 Cb -0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 2qf7 h LYS 886 CO -0.06 0.96 -0.03 0.28 -2.27 0.00 0.00 179.45 178.32 2qf7 h VAL 887 N 1.08 0.89 -0.80 2.00 2.07 -1.40 0.13 116.25 120.21 2qf7 h VAL 887 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2qf7 h VAL 887 Cb 0.30 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2qf7 h VAL 887 CO -0.01 0.00 0.35 0.58 0.02 0.00 0.00 177.57 178.52 2qf7 h VAL 888 N -0.04 1.26 -0.30 2.57 2.07 -1.29 -0.68 116.25 119.84 2qf7 h VAL 888 Ca 0.03 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2qf7 h VAL 888 Cb 0.09 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2qf7 h VAL 888 CO -0.08 0.32 0.19 1.23 0.02 0.00 0.00 177.57 179.25 2qf7 h GLY 889 N 1.17 0.43 0.79 2.17 0.00 -0.87 -0.44 103.07 106.32 2qf7 h GLY 889 Ca 0.27 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2qf7 h GLY 889 CO -0.03 0.17 0.53 -0.55 0.00 0.00 0.00 176.54 176.66 2qf7 h ASP 890 N 0.39 0.85 -0.15 0.19 3.32 -0.26 -0.89 116.42 119.87 2qf7 h ASP 890 Ca 0.11 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2qf7 h ASP 890 Cb -0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2qf7 h ASP 890 CO -0.02 0.56 0.06 -0.03 -1.72 0.00 0.00 179.24 178.09 2qf7 h MET 891 N 0.99 0.24 -0.52 3.56 4.05 -0.93 -2.39 114.93 119.93 2qf7 h MET 891 Ca 0.36 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.74 2qf7 h MET 891 Cb 0.10 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 2qf7 h MET 891 CO -0.15 0.34 0.34 0.00 0.23 0.00 0.00 176.91 177.67 2qf7 h ALA 892 N 0.89 0.66 -0.74 0.39 0.00 -0.72 -0.90 119.26 118.85 2qf7 h ALA 892 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qf7 h ALA 892 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2qf7 h ALA 892 CO -0.00 0.09 0.48 -0.07 0.00 0.00 0.00 179.25 179.75 2qf7 h LEU 893 N 0.69 0.83 -0.61 0.00 3.38 -1.15 -1.83 115.31 116.62 2qf7 h LEU 893 Ca 0.19 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2qf7 h LEU 893 Cb -0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2qf7 h LEU 893 CO -0.05 0.59 0.40 -0.03 0.09 0.00 0.00 178.44 179.45 2qf7 h MET 894 N 0.98 0.79 -0.57 1.13 4.05 -1.03 0.16 114.93 120.44 2qf7 h MET 894 Ca 0.27 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2qf7 h MET 894 Cb -0.09 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 30.49 2qf7 h MET 894 CO -0.07 0.53 0.35 0.52 0.23 0.00 0.00 176.91 178.47 2qf7 h MET 895 N 0.82 0.68 -0.02 0.39 2.86 -0.72 0.19 114.93 119.13 2qf7 h MET 895 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2qf7 h MET 895 Cb -0.09 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.42 2qf7 h MET 895 CO -0.05 0.45 -0.03 0.28 1.06 0.00 0.00 176.91 178.61 2qf7 h VAL 896 N 0.70 1.44 -0.91 -2.22 2.07 -1.15 0.10 116.25 116.29 2qf7 h VAL 896 Ca 0.23 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.46 2qf7 h VAL 896 Cb 0.01 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 2qf7 h VAL 896 CO -0.09 0.36 0.59 0.28 0.02 0.00 0.00 177.57 178.72 2qf7 h SER 897 N -0.49 0.89 -0.43 0.57 0.02 -0.54 -2.49 113.55 111.07 2qf7 h SER 897 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2qf7 h SER 897 Cb 0.61 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2qf7 h SER 897 CO 0.01 0.56 0.00 0.00 -1.14 0.00 0.00 176.83 176.26 2qf7 n GLN 898 N -4.50 2.48 -3.69 3.45 1.13 0.67 -4.98 117.38 111.94 2qf7 n GLN 898 Ca 0.14 -2.28 -0.21 0.00 -1.94 0.00 0.00 57.00 52.70 2qf7 n GLN 898 Cb 0.22 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.12 2qf7 n GLN 898 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qf7 n ASP 899 N 1.39 -1.32 -4.37 1.08 2.03 0.03 -4.98 116.55 110.41 2qf7 n ASP 899 Ca 0.19 -0.82 -0.33 0.00 0.52 0.00 0.00 54.79 54.35 2qf7 n ASP 899 Cb 0.58 -4.08 -0.14 0.00 -0.72 0.00 0.00 41.12 36.75 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 -6.64 2.75 0.71 -2.67 1.43 0.13 -5.03 118.68 109.36 2qf7 s LEU 900 Ca 0.02 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2qf7 s LEU 900 Cb -0.00 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2qf7 s LEU 900 CO 0.81 0.15 1.08 0.42 0.23 0.00 0.00 176.35 179.04 2qf7 s THR 901 N 0.42 3.10 0.44 5.49 -4.23 -1.26 -4.66 115.64 114.94 2qf7 s THR 901 Ca -0.09 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.81 2qf7 s THR 901 Cb -0.16 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.70 2qf7 s THR 901 CO 0.05 -0.42 1.95 -0.37 -0.54 0.00 0.00 174.62 175.29 2qf7 h VAL 902 N -0.66 0.83 -0.76 2.29 -1.51 -1.98 -0.74 116.25 113.72 2qf7 h VAL 902 Ca -0.45 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 64.84 2qf7 h VAL 902 Cb 1.28 0.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 2qf7 h VAL 902 CO 0.63 0.07 0.29 0.00 -1.23 0.00 0.00 177.57 177.33 2qf7 h ALA 903 N 1.67 0.99 -0.54 5.19 0.00 -1.98 -2.30 119.26 122.28 2qf7 h ALA 903 Ca 0.32 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2qf7 h ALA 903 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qf7 h ALA 903 CO -0.09 0.63 0.02 -0.44 0.00 0.00 0.00 179.25 179.37 2qf7 h ASP 904 N 1.10 0.92 -0.77 0.00 3.32 -1.65 -1.62 116.42 117.72 2qf7 h ASP 904 Ca 0.25 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 57.07 2qf7 h ASP 904 Cb 0.24 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2qf7 h ASP 904 CO -0.02 0.99 0.46 0.58 -1.72 0.00 0.00 179.24 179.53 2qf7 h VAL 905 N 0.82 0.99 -0.01 -1.35 2.07 -0.91 -2.67 116.25 115.20 2qf7 h VAL 905 Ca 0.16 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qf7 h VAL 905 Cb 0.51 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2qf7 h VAL 905 CO 0.02 0.15 -0.45 1.33 0.02 0.00 0.00 177.57 178.65 2qf7 n VAL 906 N -4.71 0.00 -1.78 2.57 0.24 -0.89 -4.97 118.33 108.79 2qf7 n VAL 906 Ca 0.11 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 2qf7 n VAL 906 Cb 0.19 0.70 0.01 0.00 -1.47 0.00 0.00 33.84 33.26 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 -2.63 6.15 0.31 -1.34 1.04 -0.62 -4.84 113.70 111.77 2qf7 s SER 907 Ca 0.19 3.02 0.05 0.00 0.48 0.00 0.00 55.95 59.69 2qf7 s SER 907 Cb 0.18 -2.66 0.69 0.00 0.10 0.00 0.00 66.02 64.33 2qf7 s SER 907 CO 0.61 -1.00 1.82 -0.65 0.98 0.00 0.00 173.24 174.99 2qf7 h PRO 908 N 2.74 0.81 -0.40 4.02 0.11 -1.90 -3.29 132.00 134.09 2qf7 h PRO 908 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2qf7 h PRO 908 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qf7 h PRO 908 CO 0.63 0.54 0.00 -0.25 -0.21 0.00 0.00 178.00 178.71 2qf7 n ASP 909 N -4.65 3.75 -4.11 -2.05 8.00 -1.26 -4.86 116.55 111.36 2qf7 n ASP 909 Ca 0.20 -2.47 -0.33 0.00 0.71 0.00 0.00 54.79 52.90 2qf7 n ASP 909 Cb 0.47 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 2qf7 n ASP 909 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2qf7 s ARG 910 N -1.85 2.22 0.19 -1.24 6.06 -1.24 -5.08 118.95 118.01 2qf7 s ARG 910 Ca 0.37 -1.41 -0.31 0.00 -2.50 0.00 0.00 55.73 51.88 2qf7 s ARG 910 Cb 0.25 -3.10 -0.10 0.00 0.06 0.00 0.00 34.95 32.06 2qf7 s ARG 910 CO 0.16 -0.67 1.54 -1.83 -2.50 0.00 0.00 175.30 172.00 2qf7 s GLU 911 N 1.15 4.22 -0.04 5.12 -1.05 -1.26 -4.86 118.70 121.98 2qf7 s GLU 911 Ca -0.04 2.36 0.01 0.00 -0.15 0.00 0.00 54.97 57.15 2qf7 s GLU 911 Cb -0.20 -3.14 0.02 0.00 -0.44 0.00 0.00 34.13 30.37 2qf7 s GLU 911 CO -0.04 -0.57 -0.04 0.08 0.95 0.00 0.00 175.26 175.64 2qf7 s VAL 912 N 0.84 0.50 -0.72 1.83 1.01 -1.26 -5.08 120.40 117.51 2qf7 s VAL 912 Ca 0.67 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 2qf7 s VAL 912 Cb -0.44 -0.51 0.16 0.00 0.00 0.00 0.00 36.38 35.59 2qf7 s VAL 912 CO 0.35 0.20 0.74 -0.55 0.00 0.00 0.00 175.10 175.84 2qf7 s SER 913 N 0.72 6.48 0.51 3.32 0.15 -1.26 -5.02 113.70 118.60 2qf7 s SER 913 Ca -0.09 -2.11 -0.22 0.00 0.70 0.00 0.00 55.95 54.22 2qf7 s SER 913 Cb -0.12 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.87 2qf7 s SER 913 CO 0.00 -0.83 1.29 -0.36 1.20 0.00 0.00 173.24 174.54 2qf7 s PHE 914 N 1.41 2.52 0.61 3.44 0.08 -1.26 -4.95 117.98 119.83 2qf7 s PHE 914 Ca 0.15 1.43 -0.18 0.00 0.12 0.00 0.00 56.93 58.44 2qf7 s PHE 914 Cb -0.17 -3.65 -0.04 0.00 -0.57 0.00 0.00 43.02 38.59 2qf7 s PHE 914 CO -0.03 -2.37 1.07 -2.30 -0.10 0.00 0.00 175.22 171.48 2qf7 n PRO 915 N -0.76 0.99 0.13 0.24 -0.02 -1.26 -4.82 135.00 129.49 2qf7 n PRO 915 Ca 0.09 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 2qf7 n PRO 915 Cb 0.46 -2.28 0.45 0.00 -0.02 0.00 0.00 33.50 32.11 2qf7 n PRO 915 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qf7 h GLU 916 N 0.54 0.24 -0.13 -0.52 4.57 -2.00 -2.21 114.58 115.08 2qf7 h GLU 916 Ca -0.49 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.57 2qf7 h GLU 916 Cb 1.36 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2qf7 h GLU 916 CO 0.52 0.30 -0.27 0.66 -1.18 0.00 0.00 179.01 179.04 2qf7 h SER 917 N 0.24 0.23 -0.05 1.04 4.64 -1.96 -1.81 113.55 115.88 2qf7 h SER 917 Ca 0.06 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 2qf7 h SER 917 Cb 0.22 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2qf7 h SER 917 CO 0.01 0.50 -0.35 0.58 -0.87 0.00 0.00 176.83 176.71 2qf7 h VAL 918 N 0.21 1.44 -0.34 0.95 2.07 -1.74 -1.81 116.25 117.03 2qf7 h VAL 918 Ca 0.03 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2qf7 h VAL 918 Cb 0.59 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2qf7 h VAL 918 CO 0.04 0.51 0.15 0.58 0.02 0.00 0.00 177.57 178.87 2qf7 h VAL 919 N -0.19 0.94 -0.60 2.57 2.07 -1.31 -0.95 116.25 118.79 2qf7 h VAL 919 Ca -0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2qf7 h VAL 919 Cb 1.02 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2qf7 h VAL 919 CO 0.07 0.06 0.21 -1.28 0.02 0.00 0.00 177.57 176.65 2qf7 h SER 920 N 0.31 0.85 -0.22 0.57 0.87 -1.35 0.46 113.55 115.03 2qf7 h SER 920 Ca 0.15 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2qf7 h SER 920 Cb 0.09 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2qf7 h SER 920 CO -0.13 0.81 0.11 -0.03 -0.53 0.00 0.00 176.83 177.06 2qf7 h MET 921 N 0.84 0.32 0.00 2.24 4.05 -1.14 -0.97 114.93 120.26 2qf7 h MET 921 Ca 0.20 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 2qf7 h MET 921 Cb 0.24 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2qf7 h MET 921 CO -0.01 0.32 -0.23 -0.07 0.23 0.00 0.00 176.91 177.15 2qf7 h LEU 922 N 0.23 0.00 -1.26 3.39 3.38 -0.94 -2.13 115.31 117.98 2qf7 h LEU 922 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2qf7 h LEU 922 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qf7 h LEU 922 CO -0.01 0.23 -0.36 0.50 0.09 0.00 0.00 178.44 178.89 2qf7 h LYS 923 N 0.00 0.03 0.00 1.13 3.64 -0.76 -3.45 116.57 117.15 2qf7 h LYS 923 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qf7 h LYS 923 Cb 0.49 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qf7 h LYS 923 CO 0.03 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 178.00 2qf7 n GLY 924 N -0.49 0.76 0.28 5.01 0.00 -0.80 -0.90 105.19 109.05 2qf7 n GLY 924 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.03 1.61 3.32 -1.33 -0.84 116.42 119.15 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 -0.08 0.18 -1.72 0.00 0.00 179.24 177.62 2qf7 n LEU 926 N -3.02 2.81 0.00 1.55 4.77 -1.26 -4.86 117.00 117.00 2qf7 n LEU 926 Ca -0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2qf7 n LEU 926 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2qf7 n LEU 926 CO 0.25 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2qf7 n GLY 927 N 1.35 -1.37 3.05 -0.72 0.00 -0.32 -4.78 105.19 102.39 2qf7 n GLY 927 Ca 0.13 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 1.97 0.66 1.61 -1.52 -1.26 -4.73 119.66 116.38 2qf7 s GLN 928 Ca 0.00 -0.49 -0.11 0.00 -1.95 0.00 0.00 55.36 52.81 2qf7 s GLN 928 Cb 0.00 -1.64 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 2qf7 s GLN 928 CO 0.00 0.00 1.05 -1.25 -0.25 0.00 0.00 175.29 174.84 2qf7 s PRO 929 N 0.78 3.23 0.46 2.91 0.04 -1.26 -4.76 135.00 136.40 2qf7 s PRO 929 Ca -0.12 0.85 0.20 0.00 0.04 0.00 0.00 61.00 61.96 2qf7 s PRO 929 Cb -0.16 -2.03 1.11 0.00 0.04 0.00 0.00 34.50 33.46 2qf7 s PRO 929 CO 0.02 -0.86 1.98 -1.00 0.04 0.00 0.00 177.00 177.18 2qf7 h PRO 930 N -0.54 0.00 -0.02 0.56 0.13 -1.97 -0.16 132.00 130.00 2qf7 h PRO 930 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qf7 h PRO 930 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qf7 h PRO 930 CO 0.59 0.21 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.41 2qf7 n SER 931 N -3.95 1.72 0.00 1.44 3.41 -1.26 -5.07 113.62 109.92 2qf7 n SER 931 Ca -0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2qf7 n SER 931 Cb 0.29 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2qf7 n SER 931 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qf7 n GLY 932 N 1.22 -1.20 3.81 5.00 0.00 -0.08 -4.92 105.19 109.02 2qf7 n GLY 932 Ca 0.18 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.02 3.81 0.19 1.61 0.52 -1.26 -4.76 118.94 118.02 2qf7 s TRP 933 Ca 0.00 1.29 -0.33 0.00 0.02 0.00 0.00 56.10 57.08 2qf7 s TRP 933 Cb 0.00 -2.51 -0.13 0.00 -1.15 0.00 0.00 33.47 29.69 2qf7 s TRP 933 CO 0.00 0.58 1.69 -2.30 0.02 0.00 0.00 176.95 176.94 2qf7 n PRO 934 N 1.74 2.60 0.05 4.98 -0.02 -1.26 -4.91 135.00 138.18 2qf7 n PRO 934 Ca -0.10 0.94 -0.20 0.00 -2.02 0.00 0.00 63.50 62.12 2qf7 n PRO 934 Cb 0.51 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 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 6.57 0.67 -0.29 -0.52 5.08 -1.98 -1.43 114.58 122.69 2qf7 h GLU 935 Ca -0.44 -0.74 -0.02 0.00 -1.00 0.00 0.00 59.36 57.16 2qf7 h GLU 935 Cb 1.22 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2qf7 h GLU 935 CO 0.94 1.32 0.12 0.00 -1.00 0.00 0.00 179.01 180.38 2qf7 h ALA 936 N 0.42 0.38 0.44 3.43 0.00 -1.97 0.04 119.26 122.00 2qf7 h ALA 936 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2qf7 h ALA 936 Cb 1.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2qf7 h ALA 936 CO 0.21 -0.03 -0.23 1.25 0.00 0.00 0.00 179.25 180.45 2qf7 h LEU 937 N 0.32 -0.56 -0.60 0.00 5.85 -1.88 -1.85 115.31 116.59 2qf7 h LEU 937 Ca 0.10 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2qf7 h LEU 937 Cb 0.18 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 2qf7 h LEU 937 CO -0.01 -0.38 0.14 -0.61 -0.34 0.00 0.00 178.44 177.24 2qf7 h GLN 938 N -0.62 0.27 -0.24 1.25 4.15 -1.15 -0.54 115.11 118.23 2qf7 h GLN 938 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2qf7 h GLN 938 Cb 0.49 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2qf7 h GLN 938 CO 0.08 0.18 0.13 0.87 -1.93 0.00 0.00 178.83 178.15 2qf7 h LYS 939 N 0.27 0.34 -0.29 1.69 1.79 -0.90 -0.96 116.57 118.51 2qf7 h LYS 939 Ca 0.32 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2qf7 h LYS 939 Cb 0.46 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2qf7 h LYS 939 CO -0.39 0.31 0.13 -0.22 -1.08 0.00 0.00 179.45 178.20 2qf7 h LYS 940 N 0.27 0.43 -0.57 3.15 3.64 -0.97 -3.00 116.57 119.52 2qf7 h LYS 940 Ca 0.08 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2qf7 h LYS 940 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2qf7 h LYS 940 CO -0.01 0.43 0.03 0.00 -2.27 0.00 0.00 179.45 177.63 2qf7 h ALA 941 N 0.97 0.97 0.00 5.00 0.00 -0.94 -3.23 119.26 122.03 2qf7 h ALA 941 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qf7 h ALA 941 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qf7 h ALA 941 CO -0.01 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2qf7 h LEU 942 N 0.90 0.00 -1.02 0.00 3.38 -1.15 -3.47 115.31 113.96 2qf7 h LEU 942 Ca 0.17 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.69 2qf7 h LEU 942 Cb 0.49 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.25 2qf7 h LEU 942 CO 0.02 0.00 -0.74 0.29 0.09 0.00 0.00 178.44 178.10 2qf7 n LYS 943 N -2.85 -6.12 0.00 1.13 5.02 -1.14 -1.70 118.16 112.50 2qf7 n LYS 943 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2qf7 n LYS 943 Cb 0.48 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 -1.76 3.16 3.76 0.72 0.00 -1.26 -5.07 105.19 104.75 2qf7 n GLY 944 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.72 4.54 -0.07 1.61 2.12 -0.69 -4.98 118.70 120.51 2qf7 s GLU 945 Ca 0.00 1.94 -0.21 0.00 0.36 0.00 0.00 54.97 57.06 2qf7 s GLU 945 Cb 0.00 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2qf7 s GLU 945 CO 0.00 0.05 0.59 0.15 -0.54 0.00 0.00 175.26 175.51 2qf7 s LYS 946 N -1.38 4.36 0.76 4.30 3.01 -1.26 -4.83 119.74 124.70 2qf7 s LYS 946 Ca 0.47 0.68 -0.12 0.00 -1.01 0.00 0.00 55.97 55.99 2qf7 s LYS 946 Cb -0.34 -3.41 0.04 0.00 -1.01 0.00 0.00 37.83 33.11 2qf7 s LYS 946 CO 0.44 0.19 1.11 -1.25 0.51 0.00 0.00 175.35 176.35 2qf7 s PRO 947 N 0.43 2.44 0.26 -1.68 0.04 -1.26 -5.00 135.00 130.23 2qf7 s PRO 947 Ca 0.31 0.49 0.06 0.00 0.04 0.00 0.00 61.00 61.91 2qf7 s PRO 947 Cb -0.17 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2qf7 s PRO 947 CO 0.15 -1.34 -0.06 1.52 0.04 0.00 0.00 177.00 177.31 2qf7 s TYR 948 N -3.30 1.86 0.00 0.56 -0.85 -0.08 -5.04 117.35 110.50 2qf7 s TYR 948 Ca 0.60 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 2qf7 s TYR 948 Cb -0.12 -1.04 0.00 0.00 0.38 0.00 0.00 41.96 41.17 2qf7 s TYR 948 CO 0.52 0.23 0.31 0.25 -1.52 0.00 0.00 175.55 175.35 2qf7 n THR 949 N -0.53 0.00 -1.42 -3.49 -2.24 -1.26 -4.35 114.28 100.99 2qf7 n THR 949 Ca -0.06 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 2qf7 n THR 949 Cb 0.63 1.24 0.10 0.00 -2.10 0.00 0.00 70.33 70.20 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 -0.10 3.13 0.06 2.28 -7.23 -1.26 -4.87 120.40 112.41 2qf7 s VAL 950 Ca 0.00 0.37 -0.34 0.00 -1.81 0.00 0.00 61.98 60.19 2qf7 s VAL 950 Cb 0.00 -3.01 -0.13 0.00 0.56 0.00 0.00 36.38 33.80 2qf7 s VAL 950 CO 0.00 -0.48 1.67 -1.14 -0.31 0.00 0.00 175.10 174.84 2qf7 n ARG 951 N -3.52 2.06 -0.27 4.82 0.63 -1.26 -4.90 116.66 114.21 2qf7 n ARG 951 Ca 0.07 0.75 0.07 0.00 -0.92 0.00 0.00 57.85 57.82 2qf7 n ARG 951 Cb 0.55 -2.53 0.21 0.00 0.45 0.00 0.00 32.46 31.14 2qf7 n ARG 951 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2qf7 h PRO 952 N 7.01 0.46 0.00 -0.14 0.11 -1.89 -1.57 132.00 135.97 2qf7 h PRO 952 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qf7 h PRO 952 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qf7 h PRO 952 CO 0.90 0.30 -0.02 0.78 -0.21 0.00 0.00 178.00 179.75 2qf7 h GLY 953 N 0.47 0.00 2.00 -0.55 0.00 -1.90 -2.01 103.07 101.08 2qf7 h GLY 953 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2qf7 h GLY 953 CO -0.42 0.00 0.00 1.48 0.00 0.00 0.00 176.54 177.60 2qf7 h SER 954 N 0.00 0.00 0.43 0.19 4.64 -1.66 -2.68 113.55 114.48 2qf7 h SER 954 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qf7 h SER 954 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qf7 h SER 954 CO 0.00 0.00 -0.44 0.18 -0.87 0.00 0.00 176.83 175.70 2qf7 n LEU 955 N -2.55 0.63 -4.79 5.97 4.77 -0.75 -4.92 117.00 115.36 2qf7 n LEU 955 Ca -0.00 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.55 2qf7 n LEU 955 Cb 0.16 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2qf7 n LEU 955 CO 0.18 0.14 -0.06 -0.76 -1.33 0.00 0.00 177.39 175.56 2qf7 s LEU 956 N -2.88 4.33 0.43 2.23 1.43 -1.01 -5.06 118.68 118.15 2qf7 s LEU 956 Ca 0.14 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 2qf7 s LEU 956 Cb 0.18 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 2qf7 s LEU 956 CO 0.66 0.25 1.34 -1.59 0.23 0.00 0.00 176.35 177.23 2qf7 s LYS 957 N -0.29 3.84 0.21 1.70 0.00 -1.26 -4.82 119.74 119.11 2qf7 s LYS 957 Ca 0.16 2.23 -0.32 0.00 0.00 0.00 0.00 55.97 58.04 2qf7 s LYS 957 Cb -0.13 -2.69 -0.14 0.00 0.00 0.00 0.00 37.83 34.86 2qf7 s LYS 957 CO 0.05 -0.62 1.30 -1.91 0.00 0.00 0.00 175.35 174.16 2qf7 n GLU 958 N -0.04 1.63 -2.32 1.78 2.13 -1.26 -4.66 120.64 117.90 2qf7 n GLU 958 Ca 0.04 0.58 -0.39 0.00 0.66 0.00 0.00 57.16 58.06 2qf7 n GLU 958 Cb 0.43 -2.17 -0.02 0.00 0.27 0.00 0.00 31.44 29.95 2qf7 n GLU 958 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qf7 s ALA 959 N -0.10 3.20 -0.90 4.31 0.00 -1.26 -4.97 121.76 122.05 2qf7 s ALA 959 Ca 0.71 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 53.41 2qf7 s ALA 959 Cb -0.74 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.08 2qf7 s ALA 959 CO 0.51 -0.47 1.25 0.34 0.00 0.00 0.00 175.76 177.39 2qf7 s ASP 960 N -1.09 6.45 0.28 0.00 -1.08 -1.26 -4.87 116.67 115.10 2qf7 s ASP 960 Ca 0.55 -1.44 -0.00 0.00 -0.52 0.00 0.00 52.55 51.14 2qf7 s ASP 960 Cb -0.31 -2.49 0.41 0.00 -1.46 0.00 0.00 42.92 39.07 2qf7 s ASP 960 CO 0.39 -1.40 1.79 -0.07 0.52 0.00 0.00 175.17 176.40 2qf7 h LEU 961 N 11.86 0.67 -0.23 -1.34 3.38 -1.99 -0.93 115.31 126.74 2qf7 h LEU 961 Ca 0.05 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qf7 h LEU 961 Cb 1.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2qf7 h LEU 961 CO 1.27 0.75 0.13 0.44 0.09 0.00 0.00 178.44 181.12 2qf7 h ASP 962 N 0.66 0.21 -0.62 -0.43 3.32 -2.00 -0.67 116.42 116.90 2qf7 h ASP 962 Ca 0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2qf7 h ASP 962 Cb 0.43 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2qf7 h ASP 962 CO 0.02 0.15 0.28 0.00 -1.72 0.00 0.00 179.24 177.97 2qf7 h ALA 963 N 1.10 0.80 -0.66 3.45 0.00 -1.89 -2.03 119.26 120.03 2qf7 h ALA 963 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2qf7 h ALA 963 Cb -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2qf7 h ALA 963 CO -0.04 0.38 0.11 0.93 0.00 0.00 0.00 179.25 180.63 2qf7 h GLU 964 N 0.85 1.08 -0.54 0.00 5.08 -0.90 -1.30 114.58 118.85 2qf7 h GLU 964 Ca 0.21 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2qf7 h GLU 964 Cb 0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qf7 h GLU 964 CO -0.02 0.99 0.36 -0.09 -1.00 0.00 0.00 179.01 179.25 2qf7 h ARG 965 N 1.00 0.71 -0.83 2.33 2.43 -1.03 -2.52 114.38 116.47 2qf7 h ARG 965 Ca 0.20 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2qf7 h ARG 965 Cb 0.43 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2qf7 h ARG 965 CO 0.01 0.47 0.55 0.87 -1.51 0.00 0.00 179.97 180.36 2qf7 h LYS 966 N 0.73 1.07 0.33 0.20 1.57 -1.03 -1.83 116.57 117.62 2qf7 h LYS 966 Ca 0.20 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2qf7 h LYS 966 Cb -0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 2qf7 h LYS 966 CO -0.04 0.71 -0.33 0.28 -0.57 0.00 0.00 179.45 179.50 2qf7 h VAL 967 N 1.11 0.32 -0.52 0.50 2.07 -0.83 -1.38 116.25 117.51 2qf7 h VAL 967 Ca 0.31 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.77 2qf7 h VAL 967 Cb -0.10 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2qf7 h VAL 967 CO -0.08 0.00 0.06 -0.29 0.02 0.00 0.00 177.57 177.28 2qf7 h ILE 968 N -0.69 1.24 -0.16 4.57 6.09 -1.40 -1.62 117.51 125.55 2qf7 h ILE 968 Ca -0.02 -0.94 -0.08 0.00 -1.37 0.00 0.00 64.86 62.45 2qf7 h ILE 968 Cb 0.62 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 2qf7 h ILE 968 CO -0.06 0.34 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.76 2qf7 h GLU 969 N 0.79 0.29 -0.15 2.19 5.08 -1.15 -0.60 114.58 121.03 2qf7 h GLU 969 Ca 0.16 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2qf7 h GLU 969 Cb 0.39 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2qf7 h GLU 969 CO 0.01 0.54 -0.60 -0.22 -1.00 0.00 0.00 179.01 177.74 2qf7 h LYS 970 N 0.26 0.67 -0.59 2.33 1.63 -0.91 0.72 116.57 120.67 2qf7 h LYS 970 Ca 0.04 -0.52 0.02 0.00 -0.85 0.00 0.00 60.65 59.34 2qf7 h LYS 970 Cb 0.61 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 2qf7 h LYS 970 CO 0.04 1.14 0.37 -0.22 -3.45 0.00 0.00 179.45 177.34 2qf7 h LYS 971 N 0.35 0.72 -0.01 1.90 1.63 -0.86 -2.88 116.57 117.43 2qf7 h LYS 971 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2qf7 h LYS 971 Cb 1.23 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2qf7 h LYS 971 CO 0.13 0.48 -0.24 1.28 -3.45 0.00 0.00 179.45 177.64 2qf7 n LEU 972 N -4.72 0.75 -3.95 5.20 4.77 -0.27 -4.95 117.00 113.83 2qf7 n LEU 972 Ca 0.05 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 2qf7 n LEU 972 Cb 0.06 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2qf7 n LEU 972 CO 0.34 0.15 0.03 -0.62 -1.33 0.00 0.00 177.39 175.96 2qf7 n GLU 973 N -0.89 -4.83 -3.55 3.23 1.02 0.13 -4.95 120.64 110.79 2qf7 n GLU 973 Ca 0.12 0.54 -0.08 0.00 -0.02 0.00 0.00 57.16 57.72 2qf7 n GLU 973 Cb 0.33 -5.30 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 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 -6.60 0.91 0.46 3.49 1.70 -0.48 -5.03 118.95 113.41 2qf7 s ARG 974 Ca 0.54 -0.38 -0.23 0.00 -0.47 0.00 0.00 55.73 55.19 2qf7 s ARG 974 Cb -0.28 0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 34.42 2qf7 s ARG 974 CO 0.85 -0.40 1.23 -1.21 -1.08 0.00 0.00 175.30 174.69 2qf7 s GLU 975 N -3.18 3.68 0.16 3.89 2.02 -1.26 -4.44 118.70 119.58 2qf7 s GLU 975 Ca 0.06 1.94 0.07 0.00 0.02 0.00 0.00 54.97 57.07 2qf7 s GLU 975 Cb -0.01 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 2qf7 s GLU 975 CO -0.07 -0.66 -0.02 0.14 0.02 0.00 0.00 175.26 174.67 2qf7 s VAL 976 N -1.44 3.66 0.83 2.63 -7.23 -1.26 -5.06 120.40 112.54 2qf7 s VAL 976 Ca 0.64 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2qf7 s VAL 976 Cb -0.33 -2.82 0.09 0.00 0.56 0.00 0.00 36.38 33.88 2qf7 s VAL 976 CO 0.40 -0.08 1.11 -0.94 -0.31 0.00 0.00 175.10 175.28 2qf7 s SER 977 N -2.84 4.18 0.40 4.85 1.04 -1.26 -4.87 113.70 115.21 2qf7 s SER 977 Ca 0.27 1.19 0.08 0.00 0.48 0.00 0.00 55.95 57.96 2qf7 s SER 977 Cb -0.10 -1.87 0.86 0.00 0.10 0.00 0.00 66.02 65.01 2qf7 s SER 977 CO 0.18 -2.15 2.03 0.44 0.98 0.00 0.00 173.24 174.72 2qf7 h ASP 978 N -1.22 0.50 -0.05 7.02 3.32 -2.00 -1.31 116.42 122.68 2qf7 h ASP 978 Ca -0.48 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 2qf7 h ASP 978 Cb 1.29 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2qf7 h ASP 978 CO 0.60 0.34 0.01 -0.26 -1.72 0.00 0.00 179.24 178.22 2qf7 h PHE 979 N 0.58 0.08 -0.67 4.55 0.04 -1.96 -1.67 116.94 117.88 2qf7 h PHE 979 Ca 0.20 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.98 2qf7 h PHE 979 Cb 0.08 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 2qf7 h PHE 979 CO -0.00 0.28 0.44 0.93 -0.60 0.00 0.00 178.31 179.37 2qf7 h GLU 980 N -0.15 0.84 -0.32 1.51 5.08 -1.89 -0.72 114.58 118.94 2qf7 h GLU 980 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2qf7 h GLU 980 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2qf7 h GLU 980 CO 0.00 0.56 0.13 0.35 -1.00 0.00 0.00 179.01 179.04 2qf7 h PHE 981 N 0.87 0.48 -0.72 4.33 3.57 -1.15 -0.01 116.94 124.31 2qf7 h PHE 981 Ca 0.26 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2qf7 h PHE 981 Cb -0.03 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 2qf7 h PHE 981 CO -0.00 0.46 0.42 0.00 -2.23 0.00 0.00 178.31 176.96 2qf7 h ALA 982 N 0.97 0.97 -0.36 2.41 0.00 -0.72 0.77 119.26 123.30 2qf7 h ALA 982 Ca 0.11 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qf7 h ALA 982 Cb 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2qf7 h ALA 982 CO -0.01 0.12 0.08 0.77 0.00 0.00 0.00 179.25 180.22 2qf7 h SER 983 N 0.77 0.04 -0.78 0.00 0.02 -0.78 -1.84 113.55 110.99 2qf7 h SER 983 Ca 0.32 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 2qf7 h SER 983 Cb 0.17 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2qf7 h SER 983 CO -0.17 0.06 0.35 0.22 -1.14 0.00 0.00 176.83 176.14 2qf7 h TYR 984 N 0.21 1.15 -0.73 3.45 3.20 -0.11 0.53 116.97 124.68 2qf7 h TYR 984 Ca 0.17 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2qf7 h TYR 984 Cb 0.19 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2qf7 h TYR 984 CO -0.18 0.85 0.26 -0.07 -1.64 0.00 0.00 178.16 177.38 2qf7 h LEU 985 N 1.13 1.04 -0.08 2.82 3.38 -0.65 -1.44 115.31 121.51 2qf7 h LEU 985 Ca 0.27 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qf7 h LEU 985 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qf7 h LEU 985 CO -0.03 0.95 -0.24 0.24 0.09 0.00 0.00 178.44 179.46 2qf7 h MET 986 N 1.07 0.30 -2.33 1.13 2.86 -0.98 -3.42 114.93 113.56 2qf7 h MET 986 Ca 0.24 -0.22 -0.59 0.00 -2.06 0.00 0.00 59.70 57.08 2qf7 h MET 986 Cb 0.26 0.04 -0.39 0.00 0.06 0.00 0.00 31.60 31.57 2qf7 h MET 986 CO -0.01 0.84 -0.96 0.66 1.06 0.00 0.00 176.91 178.49 2qf7 n TYR 987 N -4.50 -0.27 -0.15 -0.22 4.01 0.15 -4.44 117.16 111.73 2qf7 n TYR 987 Ca -0.08 -3.48 -0.05 0.00 -0.16 0.00 0.00 57.90 54.13 2qf7 n TYR 987 Cb 0.44 0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.53 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 5.16 0.45 0.09 -0.72 0.13 -1.45 0.19 132.00 135.85 2qf7 h PRO 988 Ca 0.21 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2qf7 h PRO 988 Cb 0.88 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2qf7 h PRO 988 CO 0.44 0.30 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.24 2qf7 h LYS 989 N 0.46 -0.11 -0.56 0.86 1.63 -1.95 -1.49 116.57 115.42 2qf7 h LYS 989 Ca 0.21 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.06 2qf7 h LYS 989 Cb 0.12 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 2qf7 h LYS 989 CO -0.15 0.38 0.29 0.28 -3.45 0.00 0.00 179.45 176.80 2qf7 h VAL 990 N -0.68 0.96 -0.05 2.00 2.07 -1.95 0.04 116.25 118.65 2qf7 h VAL 990 Ca -0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2qf7 h VAL 990 Cb 0.54 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2qf7 h VAL 990 CO 0.02 0.10 0.02 0.15 0.02 0.00 0.00 177.57 177.89 2qf7 h PHE 991 N 0.56 0.07 -0.44 1.57 3.57 -0.65 -0.76 116.94 120.86 2qf7 h PHE 991 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2qf7 h PHE 991 Cb 0.14 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2qf7 h PHE 991 CO -0.09 0.17 0.18 1.15 -2.23 0.00 0.00 178.31 177.49 2qf7 h THR 992 N -0.05 0.91 -0.65 4.41 2.02 -0.98 0.28 112.91 118.85 2qf7 h THR 992 Ca 0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2qf7 h THR 992 Cb 0.12 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qf7 h THR 992 CO -0.00 0.07 0.28 0.44 0.37 0.00 0.00 175.52 176.68 2qf7 h ASP 993 N 0.37 0.86 -0.36 4.18 3.32 -0.85 -1.91 116.42 122.03 2qf7 h ASP 993 Ca 0.20 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 2qf7 h ASP 993 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2qf7 h ASP 993 CO -0.18 0.75 -0.30 0.15 -1.72 0.00 0.00 179.24 177.95 2qf7 h PHE 994 N 0.93 0.98 -0.81 4.55 3.57 -0.32 -1.56 116.94 124.28 2qf7 h PHE 994 Ca 0.22 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2qf7 h PHE 994 Cb 0.15 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2qf7 h PHE 994 CO 0.01 1.07 0.43 0.00 -2.23 0.00 0.00 178.31 177.58 2qf7 h ALA 995 N 0.76 1.23 -0.19 2.41 0.00 -0.19 -0.33 119.26 122.95 2qf7 h ALA 995 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qf7 h ALA 995 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qf7 h ALA 995 CO 0.08 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.79 2qf7 h LEU 996 N 1.13 0.41 -0.66 0.00 3.38 -1.25 -2.66 115.31 115.67 2qf7 h LEU 996 Ca 0.28 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.96 2qf7 h LEU 996 Cb 0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2qf7 h LEU 996 CO -0.04 0.72 0.26 0.00 0.09 0.00 0.00 178.44 179.47 2qf7 h ALA 997 N 0.70 0.87 -0.20 1.53 0.00 -1.10 -1.76 119.26 119.30 2qf7 h ALA 997 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qf7 h ALA 997 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qf7 h ALA 997 CO 0.03 -0.18 0.01 0.77 0.00 0.00 0.00 179.25 179.88 2qf7 h SER 998 N 0.44 0.27 -0.08 0.00 0.02 -1.04 0.60 113.55 113.75 2qf7 h SER 998 Ca 0.34 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 2qf7 h SER 998 Cb 0.43 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2qf7 h SER 998 CO -0.32 0.31 -0.37 -0.78 -1.14 0.00 0.00 176.83 174.53 2qf7 h ASP 999 N 0.29 0.62 0.27 3.07 3.58 -0.97 0.15 116.42 123.43 2qf7 h ASP 999 Ca 0.07 -0.26 -0.26 0.00 0.42 0.00 0.00 57.03 57.00 2qf7 h ASP 999 Cb 0.18 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2qf7 h ASP 999 CO 0.00 0.93 -1.08 0.74 -2.88 0.00 0.00 179.24 176.95 2qf7 h THR 1000N 0.49 1.36 -0.00 2.25 2.02 -0.68 -3.39 112.91 114.97 2qf7 h THR 1000Ca 0.05 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.73 2qf7 h THR 1000Cb 0.86 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2qf7 h THR 1000CO 0.07 0.75 -0.18 -1.22 0.37 0.00 0.00 175.52 175.32 2qf7 n TYR 1001N -3.75 0.00 -4.66 3.16 4.01 0.12 -4.69 117.16 111.35 2qf7 n TYR 1001Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2qf7 n TYR 1001Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 0.99 0.41 2.77 2.72 0.00 0.04 -2.78 105.19 109.33 2qf7 n GLY 1002Ca 0.01 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 3.32 0.22 1.61 -0.04 -1.26 -4.75 135.00 134.10 2qf7 n PRO 1003Ca 0.00 -3.07 0.15 0.00 -0.04 0.00 0.00 63.50 60.54 2qf7 n PRO 1003Cb 0.00 -3.07 0.72 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.78 0.00 0.00 0.52 -1.51 -1.84 -2.33 116.25 114.88 2qf7 h VAL 1004Ca 0.50 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.79 2qf7 h VAL 1004Cb 0.61 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2qf7 h VAL 1004CO 1.75 0.00 -0.01 0.77 -1.23 0.00 0.00 177.57 178.85 2qf7 h SER 1005N 0.00 0.00 0.99 4.19 4.64 -1.86 -1.45 113.55 120.06 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2qf7 h SER 1005CO 0.00 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 2qf7 n VAL 1006N -3.17 0.24 -2.60 0.95 0.24 -0.88 -4.12 118.33 108.99 2qf7 n VAL 1006Ca -0.02 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 2qf7 n VAL 1006Cb 0.14 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 31.87 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 -3.25 4.57 0.69 1.34 1.43 -0.55 -4.53 118.68 118.37 2qf7 s LEU 1007Ca 0.12 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.14 2qf7 s LEU 1007Cb 0.17 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2qf7 s LEU 1007CO 0.50 -0.05 1.19 -2.84 0.23 0.00 0.00 176.35 175.37 2qf7 s PRO 1008N -0.97 2.45 0.19 1.29 0.02 -1.26 -4.70 135.00 132.01 2qf7 s PRO 1008Ca 0.45 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 63.04 2qf7 s PRO 1008Cb -0.29 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.54 2qf7 s PRO 1008CO 0.36 -1.59 1.77 1.15 -0.33 0.00 0.00 177.00 178.36 2qf7 h THR 1009N 0.02 0.89 -0.27 0.99 2.02 -1.96 -0.82 112.91 113.78 2qf7 h THR 1009Ca -0.48 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2qf7 h THR 1009Cb 1.29 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2qf7 h THR 1009CO 0.52 0.08 0.01 -0.65 0.37 0.00 0.00 175.52 175.85 2qf7 h PRO 1010N 0.46 0.40 -0.45 6.66 0.11 -1.91 -1.96 132.00 135.31 2qf7 h PRO 1010Ca 0.25 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 2qf7 h PRO 1010Cb 0.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2qf7 h PRO 1010CO -0.21 0.42 -0.14 0.00 -0.21 0.00 0.00 178.00 177.86 2qf7 h ALA 1011N 1.63 0.62 -0.20 -0.75 0.00 -1.51 -0.61 119.26 118.45 2qf7 h ALA 1011Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2qf7 h ALA 1011Cb 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2qf7 h ALA 1011CO 0.00 0.55 -0.18 -0.92 0.00 0.00 0.00 179.25 178.70 2qf7 h TYR 1012N 0.73 -0.47 0.00 0.00 3.20 -0.65 0.12 116.97 119.90 2qf7 h TYR 1012Ca 0.11 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 2qf7 h TYR 1012Cb 0.70 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2qf7 h TYR 1012CO 0.05 -0.26 -1.22 0.74 -1.64 0.00 0.00 178.16 175.84 2qf7 h PHE 1013N -0.20 0.00 0.00 -3.82 0.04 -1.36 -3.41 116.94 108.20 2qf7 h PHE 1013Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2qf7 h PHE 1013Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2qf7 h PHE 1013CO -0.33 0.81 0.00 0.66 -0.60 0.00 0.00 178.31 178.86 2qf7 n TYR 1014N -3.13 0.00 -4.46 -0.55 4.01 -0.24 -3.63 117.16 109.16 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 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 0.57 0.92 3.09 2.72 0.00 0.40 -4.47 105.19 108.42 2qf7 n GLY 1015Ca 0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 1.82 0.79 0.99 1.43 -1.26 -4.31 118.68 118.13 2qf7 s LEU 1016Ca 0.00 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2qf7 s LEU 1016Cb 0.00 -0.93 0.07 0.00 0.03 0.00 0.00 46.19 45.36 2qf7 s LEU 1016CO 0.00 0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.77 2qf7 s ALA 1017N 0.33 2.25 0.10 4.21 0.00 -1.26 -4.92 121.76 122.46 2qf7 s ALA 1017Ca -0.10 -0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.37 2qf7 s ALA 1017Cb -0.14 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 2qf7 s ALA 1017CO 0.03 -1.72 1.66 -3.47 0.00 0.00 0.00 175.76 172.27 2qf7 n ASP 1018N -3.43 3.22 0.00 0.00 2.03 -1.26 -1.19 116.55 115.91 2qf7 n ASP 1018Ca 0.07 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2qf7 n ASP 1018Cb 0.56 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2qf7 n ASP 1018CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qf7 n GLY 1019N 3.69 0.70 3.77 0.27 0.00 0.18 -5.00 105.19 108.80 2qf7 n GLY 1019Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.29 4.42 -0.07 1.61 2.12 -0.34 -4.76 118.70 121.38 2qf7 s GLU 1020Ca 0.00 1.77 -0.01 0.00 0.36 0.00 0.00 54.97 57.09 2qf7 s GLU 1020Cb 0.00 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 2qf7 s GLU 1020CO 0.00 0.02 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.73 2qf7 s GLU 1021N -1.85 2.93 -0.02 4.30 2.12 -1.26 -2.04 118.70 122.88 2qf7 s GLU 1021Ca 0.50 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.40 2qf7 s GLU 1021Cb -0.30 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2qf7 s GLU 1021CO 0.38 0.69 -0.07 -1.17 -0.54 0.00 0.00 175.26 174.55 2qf7 s LEU 1022N -0.95 1.85 -0.18 2.70 2.96 0.16 -4.99 118.68 120.23 2qf7 s LEU 1022Ca 0.14 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2qf7 s LEU 1022Cb -0.11 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 2qf7 s LEU 1022CO 0.03 0.06 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.72 2qf7 s PHE 1023N 0.09 2.97 -0.01 5.38 0.08 -1.26 -0.10 117.98 125.14 2qf7 s PHE 1023Ca -0.01 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.47 2qf7 s PHE 1023Cb -0.06 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2qf7 s PHE 1023CO -0.00 -0.26 0.01 0.00 -0.10 0.00 0.00 175.22 174.87 2qf7 s ALA 1024N 0.84 0.07 -0.41 5.36 0.00 -0.60 -4.81 121.76 122.21 2qf7 s ALA 1024Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 2qf7 s ALA 1024Cb -0.15 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2qf7 s ALA 1024CO 0.01 -0.03 0.31 -0.51 0.00 0.00 0.00 175.76 175.54 2qf7 s ASP 1025N 0.41 6.11 0.06 0.00 1.11 -1.26 -0.44 116.67 122.65 2qf7 s ASP 1025Ca -0.03 -0.86 0.02 0.00 0.18 0.00 0.00 52.55 51.86 2qf7 s ASP 1025Cb -0.05 -2.16 -0.25 0.00 1.07 0.00 0.00 42.92 41.53 2qf7 s ASP 1025CO -0.01 -0.45 1.05 0.40 1.18 0.00 0.00 175.17 177.34 2qf7 h ILE 1026N 5.63 1.40 -2.57 0.77 5.03 -1.95 -3.47 117.51 122.35 2qf7 h ILE 1026Ca -0.27 -3.07 -0.52 0.00 -0.12 0.00 0.00 64.86 60.88 2qf7 h ILE 1026Cb 1.12 2.79 -0.14 0.00 -3.03 0.00 0.00 36.82 37.56 2qf7 h ILE 1026CO 0.73 0.85 -0.73 -1.61 -0.68 0.00 0.00 178.15 176.71 2qf7 s GLU 1027N -2.66 1.50 -1.58 2.37 8.01 -1.26 -5.02 118.70 120.07 2qf7 s GLU 1027Ca -0.04 -1.69 -0.11 0.00 0.01 0.00 0.00 54.97 53.14 2qf7 s GLU 1027Cb 0.08 -1.38 -0.05 0.00 -4.31 0.00 0.00 34.13 28.47 2qf7 s GLU 1027CO 0.84 0.21 2.76 0.36 0.01 0.00 0.00 175.26 179.45 2qf7 n LYS 1028N -0.51 3.50 0.00 1.61 0.00 -1.26 -3.44 118.16 118.06 2qf7 n LYS 1028Ca -0.06 -2.33 0.00 0.00 -0.00 0.00 0.00 58.31 55.92 2qf7 n LYS 1028Cb 0.61 -2.92 0.00 0.00 -0.00 0.00 0.00 35.03 32.71 2qf7 n LYS 1028CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qf7 n GLY 1029N 3.68 0.10 0.00 2.58 0.00 -1.26 -5.12 105.19 105.18 2qf7 n GLY 1029Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.91 0.00 -3.23 1.61 4.76 -1.22 -5.14 118.16 113.03 2qf7 n LYS 1030Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2qf7 n LYS 1030Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2qf7 n LYS 1030CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2qf7 s THR 1031N 0.00 5.11 -0.15 -0.18 2.01 -1.26 -3.69 115.64 117.47 2qf7 s THR 1031Ca 0.00 1.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 2qf7 s THR 1031Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2qf7 s THR 1031CO 0.00 0.32 0.45 -0.76 -0.69 0.00 0.00 174.62 173.95 2qf7 s LEU 1032N 0.52 4.23 -0.40 4.42 1.43 0.41 -4.94 118.68 124.35 2qf7 s LEU 1032Ca 0.30 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 2qf7 s LEU 1032Cb -0.16 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.44 2qf7 s LEU 1032CO 0.14 -0.04 0.29 -0.69 0.23 0.00 0.00 176.35 176.28 2qf7 s VAL 1033N 0.93 5.24 -0.12 -1.59 1.01 -1.26 -1.55 120.40 123.06 2qf7 s VAL 1033Ca 0.23 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2qf7 s VAL 1033Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2qf7 s VAL 1033CO 0.09 -0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 174.15 2qf7 s ILE 1034N 1.68 3.02 -0.07 2.22 1.01 0.86 -0.80 121.20 129.12 2qf7 s ILE 1034Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2qf7 s ILE 1034Cb -0.19 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2qf7 s ILE 1034CO 0.10 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.74 2qf7 s VAL 1035N 0.18 1.32 -0.60 2.92 1.01 -0.25 0.38 120.40 125.35 2qf7 s VAL 1035Ca -0.08 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 2qf7 s VAL 1035Cb -0.15 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2qf7 s VAL 1035CO 0.05 0.40 1.15 0.21 0.00 0.00 0.00 175.10 176.91 2qf7 s ASN 1036N 0.60 6.37 -0.08 3.32 3.84 -0.87 -0.37 114.94 127.75 2qf7 s ASN 1036Ca -0.15 -0.11 0.08 0.00 0.21 0.00 0.00 52.86 52.89 2qf7 s ASN 1036Cb -0.16 -2.53 -0.24 0.00 -0.55 0.00 0.00 41.25 37.77 2qf7 s ASN 1036CO 0.05 -1.49 0.54 0.00 -2.79 0.00 0.00 177.10 173.40 2qf7 n GLN 1037N 8.40 0.67 -3.56 0.43 1.13 0.12 0.51 117.38 125.07 2qf7 n GLN 1037Ca 0.06 0.27 -0.08 0.00 -1.94 0.00 0.00 57.00 55.30 2qf7 n GLN 1037Cb 0.49 -1.75 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 2qf7 n GLN 1037CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qf7 s ALA 1038N -2.58 -1.93 -0.08 -1.58 0.00 -1.05 -4.71 121.76 109.83 2qf7 s ALA 1038Ca -0.10 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2qf7 s ALA 1038Cb 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2qf7 s ALA 1038CO 0.81 -0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.13 2qf7 s VAL 1039N -1.88 0.77 0.80 0.00 1.01 -1.26 -0.32 120.40 119.52 2qf7 s VAL 1039Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2qf7 s VAL 1039Cb -0.01 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.64 2qf7 s VAL 1039CO -0.03 0.31 1.09 -0.94 0.00 0.00 0.00 175.10 175.53 2qf7 s SER 1040N 1.45 4.33 0.91 3.32 1.04 0.10 -5.00 113.70 119.86 2qf7 s SER 1040Ca -0.01 1.60 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 2qf7 s SER 1040Cb -0.13 -2.33 0.14 0.00 0.10 0.00 0.00 66.02 63.80 2qf7 s SER 1040CO -0.04 -2.11 1.09 0.00 0.98 0.00 0.00 173.24 173.16 2qf7 s ALA 1041N -2.98 1.43 0.04 5.32 0.00 -1.26 -4.60 121.76 119.71 2qf7 s ALA 1041Ca 0.61 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 2qf7 s ALA 1041Cb -0.16 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2qf7 s ALA 1041CO 0.56 -2.48 0.78 -0.08 0.00 0.00 0.00 175.76 174.54 2qf7 s THR 1042N -2.83 4.75 0.00 0.00 -1.32 -1.26 -4.62 115.64 110.35 2qf7 s THR 1042Ca 0.64 1.66 0.00 0.00 -1.21 0.00 0.00 61.69 62.78 2qf7 s THR 1042Cb -0.19 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.67 2qf7 s THR 1042CO 0.58 0.34 0.00 -0.90 -2.21 0.00 0.00 174.62 172.43 2qf7 n ASP 1043N 2.93 0.00 0.00 8.08 3.85 -0.47 -4.93 116.55 126.01 2qf7 n ASP 1043Ca -0.02 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.06 2qf7 n ASP 1043Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2qf7 n ASP 1043CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 2qf7 n SER 1044N 0.00 0.00 0.00 -1.12 7.64 -1.26 -4.61 113.62 114.27 2qf7 n SER 1044Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qf7 n SER 1044Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2qf7 n SER 1044CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qf7 n GLN 1045N 0.00 0.00 -3.79 1.43 3.00 -1.26 -4.69 117.38 112.08 2qf7 n GLN 1045Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2qf7 n GLN 1045Cb 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 30.24 29.48 2qf7 n GLN 1045CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qf7 n GLY 1046N -2.00 -0.51 3.73 1.08 0.00 -1.26 -4.97 105.19 101.26 2qf7 n GLY 1046Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.48 2.62 -0.06 1.61 -1.94 -1.26 -1.49 119.30 112.30 2qf7 s MET 1047Ca 0.62 -1.15 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 2qf7 s MET 1047Cb -0.30 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.14 2qf7 s MET 1047CO 0.79 0.41 -0.16 0.08 -0.01 0.00 0.00 175.02 176.14 2qf7 s VAL 1048N -2.05 1.38 -0.22 -6.03 1.01 0.14 -1.37 120.40 113.25 2qf7 s VAL 1048Ca 0.31 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2qf7 s VAL 1048Cb -0.08 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2qf7 s VAL 1048CO 0.22 0.40 0.22 -0.89 0.00 0.00 0.00 175.10 175.06 2qf7 s THR 1049N 0.30 5.32 -0.18 3.92 2.01 -1.26 -0.93 115.64 124.82 2qf7 s THR 1049Ca -0.09 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 2qf7 s THR 1049Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2qf7 s THR 1049CO 0.03 0.33 0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 2qf7 s VAL 1050N 1.03 4.27 -0.32 3.82 1.01 0.11 0.01 120.40 130.34 2qf7 s VAL 1050Ca 0.11 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2qf7 s VAL 1050Cb -0.14 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2qf7 s VAL 1050CO 0.05 0.46 0.14 0.12 0.00 0.00 0.00 175.10 175.87 2qf7 s PHE 1051N 0.54 3.19 0.19 5.22 5.36 0.56 -0.97 117.98 132.06 2qf7 s PHE 1051Ca -0.00 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.16 2qf7 s PHE 1051Cb -0.14 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.17 2qf7 s PHE 1051CO 0.02 -0.56 0.27 -0.06 -1.46 0.00 0.00 175.22 173.43 2qf7 s PHE 1052N 1.55 3.37 -0.17 10.12 0.08 0.33 -0.70 117.98 132.57 2qf7 s PHE 1052Ca 0.03 0.03 -0.09 0.00 0.12 0.00 0.00 56.93 57.02 2qf7 s PHE 1052Cb -0.18 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2qf7 s PHE 1052CO 0.05 0.50 0.15 -2.00 -0.10 0.00 0.00 175.22 173.82 2qf7 s GLU 1053N -3.46 3.94 -0.21 0.44 2.12 0.50 -0.85 118.70 121.17 2qf7 s GLU 1053Ca 0.34 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.51 2qf7 s GLU 1053Cb -0.10 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 31.01 2qf7 s GLU 1053CO 0.27 0.47 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.25 2qf7 s LEU 1054N -0.13 2.17 -1.31 2.70 2.96 0.13 -1.09 118.68 124.10 2qf7 s LEU 1054Ca 0.11 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 52.85 2qf7 s LEU 1054Cb -0.12 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.54 2qf7 s LEU 1054CO 0.01 -0.23 0.51 0.59 -1.32 0.00 0.00 176.35 175.90 2qf7 n ASN 1055N 4.77 -2.38 0.00 3.68 3.02 0.02 -1.22 115.26 123.15 2qf7 n ASN 1055Ca -0.12 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2qf7 n ASN 1055Cb 0.45 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 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 -2.06 0.49 3.26 7.41 0.00 -1.26 -5.02 105.19 108.01 2qf7 n GLY 1056Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.48 1.82 0.13 1.61 -1.52 -0.35 -5.11 119.66 115.76 2qf7 s GLN 1057Ca 0.00 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.27 2qf7 s GLN 1057Cb 0.00 -1.79 -0.07 0.00 -0.22 0.00 0.00 33.01 30.93 2qf7 s GLN 1057CO 0.00 0.49 1.22 -1.25 -0.25 0.00 0.00 175.29 175.50 2qf7 s PRO 1058N -0.61 4.45 0.07 2.91 0.04 -1.26 0.21 135.00 140.80 2qf7 s PRO 1058Ca 0.09 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.06 2qf7 s PRO 1058Cb -0.09 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2qf7 s PRO 1058CO -0.01 -0.19 -0.17 1.03 0.04 0.00 0.00 177.00 177.70 2qf7 s ARG 1059N 0.37 1.00 -0.07 4.56 1.81 -0.02 -4.89 118.95 121.71 2qf7 s ARG 1059Ca 0.56 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2qf7 s ARG 1059Cb -0.32 -1.10 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 2qf7 s ARG 1059CO 0.33 0.26 -0.16 1.03 -0.68 0.00 0.00 175.30 176.08 2qf7 s ARG 1060N -1.61 2.02 -0.07 3.54 0.52 -1.26 -0.51 118.95 121.58 2qf7 s ARG 1060Ca 0.02 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 2qf7 s ARG 1060Cb -0.09 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.75 2qf7 s ARG 1060CO 0.03 0.13 -0.07 0.42 0.02 0.00 0.00 175.30 175.83 2qf7 s ILE 1061N 0.39 0.83 -0.09 1.52 -1.09 -0.14 -4.99 121.20 117.63 2qf7 s ILE 1061Ca -0.12 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2qf7 s ILE 1061Cb -0.15 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 2qf7 s ILE 1061CO 0.04 0.31 0.16 -0.54 -1.23 0.00 0.00 174.94 173.69 2qf7 s LYS 1062N 1.20 3.46 0.01 2.79 1.02 -1.26 -0.71 119.74 126.26 2qf7 s LYS 1062Ca -0.05 -0.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 2qf7 s LYS 1062Cb -0.14 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2qf7 s LYS 1062CO -0.02 0.75 0.13 0.14 -0.92 0.00 0.00 175.35 175.43 2qf7 s VAL 1063N -1.10 0.09 0.42 3.17 -7.23 -0.10 -4.96 120.40 110.68 2qf7 s VAL 1063Ca 0.18 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.34 2qf7 s VAL 1063Cb -0.12 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.24 2qf7 s VAL 1063CO 0.08 -0.41 1.40 -2.16 -0.31 0.00 0.00 175.10 173.69 2qf7 s PRO 1064N -1.56 3.88 -0.61 4.82 0.04 -1.26 0.24 135.00 140.55 2qf7 s PRO 1064Ca -0.14 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 2qf7 s PRO 1064Cb -0.07 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.74 2qf7 s PRO 1064CO 0.01 -0.64 1.15 0.34 0.04 0.00 0.00 177.00 177.90 2qf7 s ASP 1065N -0.50 6.36 0.00 6.66 -1.08 -0.56 -4.76 116.67 122.79 2qf7 s ASP 1065Ca 0.58 -0.14 0.20 0.00 -0.52 0.00 0.00 52.55 52.66 2qf7 s ASP 1065Cb -0.42 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 39.48 2qf7 s ASP 1065CO 0.55 -1.50 1.62 0.54 0.52 0.00 0.00 175.17 176.91 2qf7 n ARG 1066N 8.39 0.23 -0.58 4.34 1.74 -1.26 -1.42 116.66 128.10 2qf7 n ARG 1066Ca 0.06 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.33 2qf7 n ARG 1066Cb 0.49 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.74 2qf7 n ARG 1066CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qf7 n ALA 1067N -1.33 3.15 -0.04 7.54 0.00 -1.26 -5.18 120.51 123.39 2qf7 n ALA 1067Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.67 2qf7 n ALA 1067Cb 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2qf7 n ALA 1067CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11