#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa7 h THR 2 N 0.00 1.31 -0.03 6.66 2.02 -1.93 -3.22 112.91 117.72 1qa7 h THR 2 Ca 0.00 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 65.47 1qa7 h THR 2 Cb 0.00 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1qa7 h THR 2 CO 0.00 0.48 -0.71 -0.07 0.37 0.00 0.00 175.52 175.58 1qa7 h LEU 3 N 0.34 0.23 -0.85 2.58 3.38 -1.98 -1.58 115.31 117.43 1qa7 h LEU 3 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1qa7 h LEU 3 Cb 0.86 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1qa7 h LEU 3 CO 0.07 0.86 0.52 -0.08 0.09 0.00 0.00 178.44 179.91 1qa7 h GLU 4 N 0.13 1.15 0.00 1.13 4.81 -1.99 0.11 114.58 119.91 1qa7 h GLU 4 Ca -0.02 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.95 1qa7 h GLU 4 Cb 1.26 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1qa7 h GLU 4 CO 0.11 0.80 -0.92 0.82 -0.73 0.00 0.00 179.01 179.08 1qa7 h ILE 5 N 1.17 1.06 -0.42 2.32 1.08 -1.59 -2.84 117.51 118.30 1qa7 h ILE 5 Ca 0.31 -2.60 -0.04 0.00 -0.39 0.00 0.00 64.86 62.14 1qa7 h ILE 5 Cb -0.06 2.49 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1qa7 h ILE 5 CO -0.06 0.61 0.10 0.00 -0.69 0.00 0.00 178.15 178.11 1qa7 h ALA 6 N 1.29 1.40 -0.16 1.87 0.00 -0.69 -1.24 119.26 121.73 1qa7 h ALA 6 Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qa7 h ALA 6 Cb 1.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1qa7 h ALA 6 CO 0.08 0.43 0.07 0.78 0.00 0.00 0.00 179.25 180.62 1qa7 h GLY 7 N 0.82 0.24 1.03 0.00 0.00 -0.57 0.16 103.07 104.76 1qa7 h GLY 7 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1qa7 h GLY 7 CO -0.00 0.12 0.46 1.41 0.00 0.00 0.00 176.54 178.52 1qa7 h LEU 8 N 0.11 1.12 0.55 3.11 3.38 -1.28 -1.92 115.31 120.39 1qa7 h LEU 8 Ca 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1qa7 h LEU 8 Cb 0.14 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1qa7 h LEU 8 CO -0.01 0.91 -0.27 0.58 0.09 0.00 0.00 178.44 179.75 1qa7 h VAL 9 N 1.24 0.45 -0.50 1.22 2.07 -1.02 -2.81 116.25 116.90 1qa7 h VAL 9 Ca 0.31 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.89 1qa7 h VAL 9 Cb 0.07 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 1qa7 h VAL 9 CO -0.04 0.01 -0.14 0.03 0.02 0.00 0.00 177.57 177.45 1qa7 h ARG 10 N -0.77 -0.01 0.00 1.57 3.08 -0.52 0.44 114.38 118.18 1qa7 h ARG 10 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1qa7 h ARG 10 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1qa7 h ARG 10 CO 0.12 -0.01 0.00 0.87 -1.07 0.00 0.00 179.97 179.89 1qa7 h LYS 11 N -0.01 0.00 -0.01 0.04 1.79 -1.36 -2.20 116.57 114.82 1qa7 h LYS 11 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1qa7 h LYS 11 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1qa7 h LYS 11 CO -0.53 0.00 -0.62 0.09 -1.08 0.00 0.00 179.45 177.32 1qa7 n ASN 12 N -2.62 1.31 -4.74 0.86 4.13 0.13 -4.97 115.26 109.36 1qa7 n ASN 12 Ca -0.00 -1.15 -0.41 0.00 1.68 0.00 0.00 54.58 54.70 1qa7 n ASN 12 Cb 0.17 0.74 -0.05 0.00 -1.54 0.00 0.00 39.78 39.11 1qa7 n ASN 12 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1qa7 s LEU 13 N -2.53 4.54 0.16 3.41 2.96 0.14 -1.09 118.68 126.27 1qa7 s LEU 13 Ca 0.11 1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 55.94 1qa7 s LEU 13 Cb 0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1qa7 s LEU 13 CO 0.60 -0.05 0.07 0.68 -1.32 0.00 0.00 176.35 176.34 1qa7 s VAL 14 N -0.40 0.13 0.05 1.68 -7.23 -0.68 -4.98 120.40 108.96 1qa7 s VAL 14 Ca 0.46 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1qa7 s VAL 14 Cb -0.26 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1qa7 s VAL 14 CO 0.32 -0.32 0.23 -1.10 -0.31 0.00 0.00 175.10 173.92 1qa7 s GLN 15 N -4.07 3.48 -0.09 4.82 1.11 -1.22 -1.09 119.66 122.59 1qa7 s GLN 15 Ca 0.29 -0.32 0.01 0.00 0.01 0.00 0.00 55.36 55.34 1qa7 s GLN 15 Cb 0.07 -3.04 -0.02 0.00 -1.01 0.00 0.00 33.01 29.01 1qa7 s GLN 15 CO 0.05 0.61 -0.10 0.12 0.01 0.00 0.00 175.29 175.98 1qa7 s PHE 16 N -1.45 2.85 0.17 0.91 5.36 0.16 -2.30 117.98 123.68 1qa7 s PHE 16 Ca 0.33 -0.27 -0.11 0.00 -0.96 0.00 0.00 56.93 55.92 1qa7 s PHE 16 Cb -0.13 -1.77 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1qa7 s PHE 16 CO 0.24 0.08 0.35 0.20 -1.46 0.00 0.00 175.22 174.62 1qa7 s GLY 17 N -0.27 0.35 0.12 13.12 0.00 -0.55 0.29 107.32 120.39 1qa7 s GLY 17 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.06 1qa7 s GLY 17 CO 0.03 -0.70 -0.12 -1.34 0.00 0.00 0.00 173.10 170.97 1qa7 s VAL 18 N -3.95 1.16 0.00 1.40 -7.23 -0.45 0.36 120.40 111.70 1qa7 s VAL 18 Ca 0.16 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1qa7 s VAL 18 Cb 0.02 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1qa7 s VAL 18 CO -0.00 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1qa7 n GLY 19 N 0.45 1.54 3.10 2.32 0.00 -0.98 -0.60 105.19 111.02 1qa7 n GLY 19 Ca -0.15 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1qa7 n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qa7 n GLU 20 N 0.00 0.92 0.05 1.61 2.13 -1.26 -2.09 120.64 122.00 1qa7 n GLU 20 Ca 0.00 -3.06 0.03 0.00 0.66 0.00 0.00 57.16 54.79 1qa7 n GLU 20 Cb 0.00 0.69 0.40 0.00 0.27 0.00 0.00 31.44 32.80 1qa7 n GLU 20 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1qa7 h LYS 21 N 0.00 0.42 -5.19 5.31 1.57 -1.96 -3.39 116.57 113.33 1qa7 h LYS 21 Ca -0.34 -0.06 -0.67 0.00 -1.87 0.00 0.00 60.65 57.72 1qa7 h LYS 21 Cb 1.07 -0.08 -0.32 0.00 0.08 0.00 0.00 32.23 32.99 1qa7 h LYS 21 CO 0.56 0.38 -0.83 1.21 -0.57 0.00 0.00 179.45 180.20 1qa7 s ASN 22 N -6.78 3.45 0.00 0.86 2.47 -1.26 -5.07 114.94 108.61 1qa7 s ASN 22 Ca -0.07 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 52.69 1qa7 s ASN 22 Cb 0.16 -1.52 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 1qa7 s ASN 22 CO 0.73 0.08 0.00 0.61 -3.72 0.00 0.00 177.10 174.81 1qa7 n GLY 23 N 4.07 4.11 3.48 1.21 0.00 -1.26 -5.08 105.19 111.72 1qa7 n GLY 23 Ca -0.19 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 1qa7 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qa7 n SER 24 N 0.00 -0.34 -4.73 1.61 2.88 -1.26 -4.73 113.62 107.05 1qa7 n SER 24 Ca 0.00 1.04 -0.37 0.00 -1.33 0.00 0.00 58.87 58.21 1qa7 n SER 24 Cb 0.00 -1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 62.26 1qa7 n SER 24 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qa7 s VAL 25 N -1.25 5.29 -0.55 2.46 1.01 -1.26 -4.53 120.40 121.57 1qa7 s VAL 25 Ca 0.62 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 1qa7 s VAL 25 Cb -0.70 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.13 1qa7 s VAL 25 CO 0.58 0.40 0.62 -0.60 0.00 0.00 0.00 175.10 176.10 1qa7 s ARG 26 N 0.39 3.04 -0.22 2.72 3.52 0.23 -4.93 118.95 123.71 1qa7 s ARG 26 Ca 0.17 -1.30 -0.29 0.00 -0.13 0.00 0.00 55.73 54.18 1qa7 s ARG 26 Cb -0.13 -4.22 -0.01 0.00 -1.56 0.00 0.00 34.95 29.03 1qa7 s ARG 26 CO 0.04 -1.38 1.31 -1.58 -0.81 0.00 0.00 175.30 172.88 1qa7 s TRP 27 N 2.38 2.73 -0.20 5.12 0.52 -1.26 -1.34 118.94 126.89 1qa7 s TRP 27 Ca 0.10 0.91 -0.15 0.00 0.02 0.00 0.00 56.10 56.98 1qa7 s TRP 27 Cb -0.24 -3.69 -0.09 0.00 -1.15 0.00 0.00 33.47 28.29 1qa7 s TRP 27 CO 0.07 -1.82 -0.17 0.28 0.02 0.00 0.00 176.95 175.33 1qa7 n VAL 28 N 5.75 1.49 -2.61 4.03 0.31 0.15 -4.95 118.33 122.50 1qa7 n VAL 28 Ca 0.15 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1qa7 n VAL 28 Cb 0.45 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1qa7 n VAL 28 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1qa7 n MET 29 N -4.46 0.00 -2.60 5.55 0.00 -1.19 -4.85 117.12 109.58 1qa7 n MET 29 Ca -0.25 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.27 1qa7 n MET 29 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.85 1qa7 n MET 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1qa7 n ASN 30 N -0.55 1.65 -3.72 3.17 3.02 -0.42 0.36 115.26 118.78 1qa7 n ASN 30 Ca 0.00 -2.24 -0.13 0.00 -0.03 0.00 0.00 54.58 52.17 1qa7 n ASN 30 Cb 0.00 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.67 1qa7 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qa7 s ALA 31 N -2.75 -0.91 -0.18 5.41 0.00 -0.25 -4.37 121.76 118.71 1qa7 s ALA 31 Ca 0.54 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1qa7 s ALA 31 Cb -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1qa7 s ALA 31 CO 0.35 -0.34 -0.09 -1.17 0.00 0.00 0.00 175.76 174.51 1qa7 s LEU 32 N -1.57 2.75 0.03 0.00 2.96 -0.35 -1.69 118.68 120.80 1qa7 s LEU 32 Ca -0.10 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.11 1qa7 s LEU 32 Cb -0.03 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1qa7 s LEU 32 CO 0.02 0.05 1.03 -0.83 -1.32 0.00 0.00 176.35 175.30 1qa7 s GLY 33 N 1.05 2.81 -0.11 7.98 0.00 -0.25 0.99 107.32 119.80 1qa7 s GLY 33 Ca -0.00 0.62 0.10 0.00 0.00 0.00 0.00 44.72 45.44 1qa7 s GLY 33 CO -0.02 1.74 0.05 3.33 0.00 0.00 0.00 173.10 178.20 1qa7 n VAL 34 N 3.71 0.73 0.00 1.40 0.24 -0.78 -4.83 118.33 118.80 1qa7 n VAL 34 Ca 0.06 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1qa7 n VAL 34 Cb 0.50 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 1qa7 n VAL 34 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1qa7 n LYS 35 N -2.39 0.00 0.00 7.34 2.85 -1.24 -0.52 118.16 124.19 1qa7 n LYS 35 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1qa7 n LYS 35 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1qa7 n LYS 35 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1qa7 n ASP 36 N 0.00 0.00 -1.84 -5.58 8.00 -1.15 -1.04 116.55 114.95 1qa7 n ASP 36 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1qa7 n ASP 36 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1qa7 n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qa7 n ASP 37 N 4.33 4.60 -4.65 -2.24 8.00 -1.26 -0.09 116.55 125.24 1qa7 n ASP 37 Ca 0.00 -3.77 -0.34 0.00 0.71 0.00 0.00 54.79 51.39 1qa7 n ASP 37 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 1qa7 n ASP 37 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1qa7 s TRP 38 N -3.56 3.06 0.04 1.24 0.52 -0.20 -1.18 118.94 118.85 1qa7 s TRP 38 Ca 0.50 0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.76 1qa7 s TRP 38 Cb 0.41 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 1qa7 s TRP 38 CO 0.02 0.43 -0.12 -0.51 0.02 0.00 0.00 176.95 176.79 1qa7 s LEU 39 N -1.11 2.17 -0.25 2.99 1.43 -0.12 -1.86 118.68 121.94 1qa7 s LEU 39 Ca 0.15 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 1qa7 s LEU 39 Cb -0.11 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 1qa7 s LEU 39 CO 0.05 -0.02 0.59 -0.76 0.23 0.00 0.00 176.35 176.45 1qa7 s LEU 40 N -1.13 4.07 -0.03 1.79 1.43 0.28 -1.16 118.68 123.93 1qa7 s LEU 40 Ca -0.01 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1qa7 s LEU 40 Cb -0.08 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1qa7 s LEU 40 CO 0.01 -0.33 -0.09 -0.69 0.23 0.00 0.00 176.35 175.48 1qa7 s VAL 41 N 2.37 0.79 -0.07 -1.59 1.01 0.17 -1.21 120.40 121.86 1qa7 s VAL 41 Ca 0.25 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1qa7 s VAL 41 Cb -0.16 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1qa7 s VAL 41 CO 0.09 0.25 1.16 -2.84 0.00 0.00 0.00 175.10 173.76 1qa7 s PRO 42 N 0.32 4.36 0.00 2.72 0.02 -1.26 0.16 135.00 141.32 1qa7 s PRO 42 Ca -0.05 1.60 0.21 0.00 0.02 0.00 0.00 61.00 62.77 1qa7 s PRO 42 Cb -0.10 -3.56 0.89 0.00 0.02 0.00 0.00 34.50 31.74 1qa7 s PRO 42 CO 0.01 -0.43 1.66 -1.13 -0.33 0.00 0.00 177.00 176.77 1qa7 n SER 43 N 5.24 0.00 0.00 2.53 3.41 0.44 -1.78 113.62 123.46 1qa7 n SER 43 Ca 0.11 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1qa7 n SER 43 Cb 0.47 -0.49 0.67 0.00 -0.26 0.00 0.00 64.21 64.60 1qa7 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qa7 n HIS 44 N -1.49 0.00 0.22 7.33 1.44 -1.26 -1.23 115.22 120.24 1qa7 n HIS 44 Ca 0.05 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 1qa7 n HIS 44 Cb 0.24 -0.22 0.45 0.00 0.12 0.00 0.00 29.99 30.58 1qa7 n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qa7 h ALA 45 N 3.30 1.04 0.00 1.59 0.00 -1.71 -3.38 119.26 120.11 1qa7 h ALA 45 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qa7 h ALA 45 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qa7 h ALA 45 CO 0.00 0.31 -0.48 2.48 0.00 0.00 0.00 179.25 181.56 1qa7 n TYR 46 N -3.45 0.00 -0.00 0.00 0.18 -0.90 -4.89 117.16 108.10 1qa7 n TYR 46 Ca -0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.93 1qa7 n TYR 46 Cb 0.43 0.00 0.60 0.00 -0.38 0.00 0.00 39.34 39.99 1qa7 n TYR 46 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1qa7 h LYS 47 N 0.00 0.17 -0.18 -3.48 1.57 -1.34 -2.56 116.57 110.75 1qa7 h LYS 47 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1qa7 h LYS 47 Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qa7 h LYS 47 CO 0.00 0.11 0.00 1.19 -0.57 0.00 0.00 179.45 180.18 1qa7 n PHE 48 N -4.44 0.24 -3.14 -1.35 3.72 -1.26 -4.82 117.46 106.40 1qa7 n PHE 48 Ca 0.08 -0.12 -0.39 0.00 -0.05 0.00 0.00 57.45 56.97 1qa7 n PHE 48 Cb 0.44 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 1qa7 n PHE 48 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qa7 s GLU 49 N -1.76 4.38 0.39 -1.08 0.41 -0.96 -5.03 118.70 115.03 1qa7 s GLU 49 Ca 0.26 0.71 -0.27 0.00 -0.41 0.00 0.00 54.97 55.26 1qa7 s GLU 49 Cb 0.14 -3.46 -0.09 0.00 -1.78 0.00 0.00 34.13 28.93 1qa7 s GLU 49 CO 0.20 0.06 1.34 0.21 -0.49 0.00 0.00 175.26 176.58 1qa7 s LYS 50 N 0.87 4.07 -1.57 1.61 2.20 -1.26 -2.38 119.74 123.27 1qa7 s LYS 50 Ca 0.33 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1qa7 s LYS 50 Cb -0.17 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1qa7 s LYS 50 CO 0.15 -0.45 0.00 -0.25 -0.36 0.00 0.00 175.35 174.44 1qa7 n ASP 51 N 0.33 -4.92 0.19 1.43 9.92 -1.26 -4.79 116.55 117.45 1qa7 n ASP 51 Ca 0.02 0.17 0.15 0.00 -0.53 0.00 0.00 54.79 54.60 1qa7 n ASP 51 Cb 0.42 -4.20 0.76 0.00 -0.64 0.00 0.00 41.12 37.46 1qa7 n ASP 51 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1qa7 h TYR 52 N 0.00 0.00 0.00 1.24 -0.00 -1.78 0.13 116.97 116.56 1qa7 h TYR 52 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 1qa7 h TYR 52 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1qa7 h TYR 52 CO 0.59 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.68 1qa7 h GLU 53 N 0.00 0.00 -0.13 0.10 3.07 -1.86 -2.22 114.58 113.53 1qa7 h GLU 53 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1qa7 h GLU 53 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1qa7 h GLU 53 CO -0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 1qa7 n MET 54 N -3.07 1.76 -1.51 2.33 2.81 0.45 -3.86 117.12 116.03 1qa7 n MET 54 Ca -0.01 -1.13 -0.11 0.00 -1.81 0.00 0.00 57.70 54.64 1qa7 n MET 54 Cb 0.22 -1.43 0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1qa7 n MET 54 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1qa7 n MET 55 N 0.36 0.20 -4.71 0.03 2.81 -0.84 -4.88 117.12 110.09 1qa7 n MET 55 Ca 0.17 -1.29 -0.31 0.00 -1.81 0.00 0.00 57.70 54.46 1qa7 n MET 55 Cb 0.36 -0.34 -0.13 0.00 -0.71 0.00 0.00 33.22 32.39 1qa7 n MET 55 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1qa7 s GLU 56 N -3.75 2.02 0.11 0.03 0.41 -0.89 -0.94 118.70 115.69 1qa7 s GLU 56 Ca 0.32 -1.00 0.07 0.00 -0.41 0.00 0.00 54.97 53.95 1qa7 s GLU 56 Cb -0.02 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 1qa7 s GLU 56 CO 0.22 0.54 -0.09 -0.06 -0.49 0.00 0.00 175.26 175.37 1qa7 s PHE 57 N -0.90 2.75 0.05 1.61 0.08 -0.32 -2.32 117.98 118.93 1qa7 s PHE 57 Ca 0.14 -0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.09 1qa7 s PHE 57 Cb -0.10 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1qa7 s PHE 57 CO 0.04 0.44 -0.16 0.71 -0.10 0.00 0.00 175.22 176.15 1qa7 s TYR 58 N -1.25 1.38 -0.13 0.36 1.51 0.16 -2.24 117.35 117.14 1qa7 s TYR 58 Ca 0.22 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1qa7 s TYR 58 Cb -0.11 -0.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1qa7 s TYR 58 CO 0.14 0.06 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.49 1qa7 s PHE 59 N -0.92 1.72 -0.49 2.71 0.40 0.08 -1.48 117.98 119.99 1qa7 s PHE 59 Ca 0.03 -0.93 -0.24 0.00 -0.60 0.00 0.00 56.93 55.18 1qa7 s PHE 59 Cb -0.08 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.13 1qa7 s PHE 59 CO 0.02 -0.57 0.90 1.21 0.70 0.00 0.00 175.22 177.47 1qa7 s ASN 60 N 1.63 6.41 -0.36 1.36 3.84 -0.97 -1.11 114.94 125.75 1qa7 s ASN 60 Ca 0.04 -0.13 0.04 0.00 0.21 0.00 0.00 52.86 53.02 1qa7 s ASN 60 Cb -0.13 -2.43 0.10 0.00 -0.55 0.00 0.00 41.25 38.24 1qa7 s ASN 60 CO -0.09 -1.09 0.07 -0.60 -2.79 0.00 0.00 177.10 172.61 1qa7 s ARG 61 N 3.71 1.53 -1.04 0.43 6.06 0.03 -3.41 118.95 126.26 1qa7 s ARG 61 Ca 0.33 -1.95 -0.04 0.00 -2.50 0.00 0.00 55.73 51.57 1qa7 s ARG 61 Cb -0.12 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.68 1qa7 s ARG 61 CO 0.23 -0.96 0.51 0.41 -2.50 0.00 0.00 175.30 172.99 1qa7 n GLY 62 N 4.14 -0.12 1.69 8.12 0.00 -1.26 -2.93 105.19 114.83 1qa7 n GLY 62 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1qa7 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa7 n GLY 63 N -1.34 1.96 3.69 -0.02 0.00 -1.26 -5.02 105.19 103.20 1qa7 n GLY 63 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1qa7 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa7 s THR 64 N -2.39 4.90 -0.66 2.61 2.01 -1.15 -5.06 115.64 115.91 1qa7 s THR 64 Ca 0.00 -0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1qa7 s THR 64 Cb 0.00 -3.18 0.17 0.00 0.01 0.00 0.00 72.50 69.49 1qa7 s THR 64 CO 0.00 0.50 0.59 -0.31 -0.69 0.00 0.00 174.62 174.71 1qa7 s TYR 65 N 0.01 3.49 -0.06 4.92 2.02 -1.26 -0.79 117.35 125.68 1qa7 s TYR 65 Ca 0.06 -1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 54.73 1qa7 s TYR 65 Cb -0.12 -3.74 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 1qa7 s TYR 65 CO 0.01 -0.99 0.98 0.71 -1.57 0.00 0.00 175.55 174.69 1qa7 s TYR 66 N 0.88 3.58 0.20 2.71 2.02 -0.27 -4.84 117.35 121.63 1qa7 s TYR 66 Ca 0.10 1.63 0.09 0.00 -0.37 0.00 0.00 57.07 58.53 1qa7 s TYR 66 Cb -0.21 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1qa7 s TYR 66 CO -0.03 -0.12 -0.09 -1.54 -1.57 0.00 0.00 175.55 172.21 1qa7 s SER 67 N 1.05 4.23 -0.26 2.29 1.04 -1.26 -0.75 113.70 120.04 1qa7 s SER 67 Ca 0.50 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 1qa7 s SER 67 Cb -0.20 -0.70 0.07 0.00 0.10 0.00 0.00 66.02 65.30 1qa7 s SER 67 CO 0.23 0.08 0.66 -0.51 0.98 0.00 0.00 173.24 174.68 1qa7 s ILE 68 N -1.85 -0.00 0.55 -1.02 2.07 -0.95 -4.81 121.20 115.19 1qa7 s ILE 68 Ca 0.26 0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.31 1qa7 s ILE 68 Cb -0.08 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 1qa7 s ILE 68 CO 0.16 0.00 1.17 -0.44 -1.91 0.00 0.00 174.94 173.92 1qa7 s SER 69 N 1.25 5.59 0.33 4.50 0.01 -1.26 -1.18 113.70 122.94 1qa7 s SER 69 Ca -0.07 2.30 0.04 0.00 1.31 0.00 0.00 55.95 59.53 1qa7 s SER 69 Cb -0.05 -2.59 0.66 0.00 0.21 0.00 0.00 66.02 64.25 1qa7 s SER 69 CO -0.13 -1.32 1.91 0.00 0.41 0.00 0.00 173.24 174.11 1qa7 h ALA 70 N 1.24 1.65 0.00 1.44 0.00 -1.25 -1.13 119.26 121.21 1qa7 h ALA 70 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qa7 h ALA 70 Cb 1.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1qa7 h ALA 70 CO 0.57 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1qa7 n GLY 71 N -1.42 -0.98 0.32 0.00 0.00 -1.25 -2.72 105.19 99.15 1qa7 n GLY 71 Ca 0.14 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1qa7 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qa7 n ASN 72 N -1.40 1.54 -4.91 1.61 5.03 -0.43 -4.98 115.26 111.72 1qa7 n ASN 72 Ca 0.06 -1.27 -0.27 0.00 0.87 0.00 0.00 54.58 53.97 1qa7 n ASN 72 Cb 0.17 0.55 -0.00 0.00 -1.02 0.00 0.00 39.78 39.47 1qa7 n ASN 72 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1qa7 s VAL 73 N -2.03 4.93 -0.37 2.41 -7.23 -1.10 -4.98 120.40 112.03 1qa7 s VAL 73 Ca 0.13 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 1qa7 s VAL 73 Cb 0.13 -3.86 0.07 0.00 0.56 0.00 0.00 36.38 33.28 1qa7 s VAL 73 CO 0.45 -0.81 0.15 -0.69 -0.31 0.00 0.00 175.10 173.90 1qa7 s VAL 74 N -2.68 3.68 -0.11 1.32 1.01 -1.16 -4.94 120.40 117.51 1qa7 s VAL 74 Ca 0.47 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1qa7 s VAL 74 Cb -0.10 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1qa7 s VAL 74 CO 0.43 -0.36 0.47 -0.63 0.00 0.00 0.00 175.10 175.01 1qa7 s ILE 75 N 1.33 5.19 -0.13 2.22 1.01 -1.26 -0.59 121.20 128.96 1qa7 s ILE 75 Ca 0.01 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 1qa7 s ILE 75 Cb -0.21 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1qa7 s ILE 75 CO 0.01 0.34 -0.05 -1.58 0.00 0.00 0.00 174.94 173.66 1qa7 s GLN 76 N 0.55 1.28 0.48 2.79 2.00 0.16 -4.98 119.66 121.94 1qa7 s GLN 76 Ca 0.25 -0.32 -0.24 0.00 -2.00 0.00 0.00 55.36 53.05 1qa7 s GLN 76 Cb -0.15 -1.70 -0.07 0.00 0.80 0.00 0.00 33.01 31.88 1qa7 s GLN 76 CO 0.10 -0.37 1.42 -1.54 -0.50 0.00 0.00 175.29 174.40 1qa7 s SER 77 N 1.73 5.71 0.04 6.67 1.04 -1.26 -0.52 113.70 127.11 1qa7 s SER 77 Ca 0.03 2.90 -0.19 0.00 0.48 0.00 0.00 55.95 59.17 1qa7 s SER 77 Cb -0.14 -2.65 -0.17 0.00 0.10 0.00 0.00 66.02 63.17 1qa7 s SER 77 CO -0.08 -1.29 1.26 -0.07 0.98 0.00 0.00 173.24 174.05 1qa7 h LEU 78 N 2.10 0.52 0.00 2.42 3.38 -1.94 -3.46 115.31 118.34 1qa7 h LEU 78 Ca -0.51 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 56.87 1qa7 h LEU 78 Cb 1.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1qa7 h LEU 78 CO 0.60 1.03 0.00 -0.90 0.09 0.00 0.00 178.44 179.26 1qa7 n ASP 79 N -4.35 0.00 0.00 -0.43 5.75 -1.26 -4.72 116.55 111.53 1qa7 n ASP 79 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1qa7 n ASP 79 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1qa7 n ASP 79 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1qa7 n VAL 80 N 0.00 0.00 0.00 2.12 0.31 -1.26 -4.95 118.33 114.55 1qa7 n VAL 80 Ca 0.00 0.93 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 1qa7 n VAL 80 Cb 0.00 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 1qa7 n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qa7 n GLY 81 N -0.47 0.00 3.55 2.92 0.00 -1.26 -5.06 105.19 104.87 1qa7 n GLY 81 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qa7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa7 s ALA 82 N -0.05 2.27 -0.10 4.61 0.00 -1.26 -4.96 121.76 122.28 1qa7 s ALA 82 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 1qa7 s ALA 82 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 1qa7 s ALA 82 CO 0.00 -3.90 0.09 -0.65 0.00 0.00 0.00 175.76 171.29 1qa7 s GLN 83 N 6.47 3.25 0.00 0.00 -1.52 -1.26 -4.80 119.66 121.81 1qa7 s GLN 83 Ca 0.57 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 1qa7 s GLN 83 Cb -0.09 -3.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1qa7 s GLN 83 CO 0.11 0.74 0.00 -0.40 -0.25 0.00 0.00 175.29 175.49 1qa7 n ASP 84 N 1.94 3.73 -4.00 5.90 5.68 -1.26 -4.90 116.55 123.63 1qa7 n ASP 84 Ca -0.19 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 53.91 1qa7 n ASP 84 Cb 0.54 0.25 -0.15 0.00 -1.14 0.00 0.00 41.12 40.62 1qa7 n ASP 84 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qa7 s VAL 85 N -1.81 0.71 0.33 2.12 1.01 -1.26 -0.42 120.40 121.08 1qa7 s VAL 85 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1qa7 s VAL 85 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1qa7 s VAL 85 CO 0.00 0.22 0.10 0.68 0.00 0.00 0.00 175.10 176.09 1qa7 s VAL 86 N 0.05 0.77 -0.10 2.92 -7.23 0.12 -4.37 120.40 112.56 1qa7 s VAL 86 Ca -0.01 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 1qa7 s VAL 86 Cb -0.06 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1qa7 s VAL 86 CO 0.00 0.00 0.17 -0.76 -0.31 0.00 0.00 175.10 174.20 1qa7 s LEU 87 N -3.46 4.39 -0.04 1.32 1.02 0.33 -0.65 118.68 121.59 1qa7 s LEU 87 Ca 0.33 0.50 0.01 0.00 0.02 0.00 0.00 54.13 55.00 1qa7 s LEU 87 Cb 0.06 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 44.14 1qa7 s LEU 87 CO 0.15 0.39 -0.05 -0.32 0.02 0.00 0.00 176.35 176.54 1qa7 s MET 88 N -1.10 0.78 -0.19 1.70 1.75 -0.31 0.39 119.30 122.32 1qa7 s MET 88 Ca 0.17 -0.13 -0.09 0.00 -1.25 0.00 0.00 55.69 54.39 1qa7 s MET 88 Cb -0.12 -0.78 -0.04 0.00 2.84 0.00 0.00 34.83 36.73 1qa7 s MET 88 CO 0.06 -0.04 0.09 0.21 -0.65 0.00 0.00 175.02 174.69 1qa7 s LYS 89 N 0.71 4.06 -0.29 4.11 2.20 0.24 -0.94 119.74 129.83 1qa7 s LYS 89 Ca -0.09 -0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1qa7 s LYS 89 Cb -0.13 -3.32 0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1qa7 s LYS 89 CO 0.00 0.26 0.15 0.14 -0.36 0.00 0.00 175.35 175.54 1qa7 s VAL 90 N 0.43 -0.10 0.15 4.02 -7.23 -0.33 -3.01 120.40 114.33 1qa7 s VAL 90 Ca 0.05 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 1qa7 s VAL 90 Cb -0.12 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.87 1qa7 s VAL 90 CO -0.00 -0.70 1.69 -0.65 -0.31 0.00 0.00 175.10 175.13 1qa7 h PRO 91 N 8.39 0.76 -1.03 4.82 0.11 -1.94 -2.13 132.00 140.98 1qa7 h PRO 91 Ca -0.19 -0.15 0.30 0.00 0.11 0.00 0.00 66.00 66.07 1qa7 h PRO 91 Cb 1.02 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 1qa7 h PRO 91 CO 0.43 0.69 0.93 1.79 -0.21 0.00 0.00 178.00 181.63 1qa7 h THR 92 N 0.67 0.22 -3.49 -1.15 1.35 -1.95 -3.43 112.91 105.13 1qa7 h THR 92 Ca 0.16 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.50 1qa7 h THR 92 Cb 0.23 0.30 0.01 0.00 -1.73 0.00 0.00 68.15 66.95 1qa7 h THR 92 CO -0.01 0.00 0.53 -0.63 -0.25 0.00 0.00 175.52 175.16 1qa7 s ILE 93 N -4.69 3.74 0.31 6.82 -1.09 -0.80 -4.97 121.20 120.51 1qa7 s ILE 93 Ca -0.04 1.45 -0.29 0.00 -2.23 0.00 0.00 60.65 59.54 1qa7 s ILE 93 Cb 0.19 -3.93 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 1qa7 s ILE 93 CO 0.64 0.23 1.39 -2.84 -1.23 0.00 0.00 174.94 173.13 1qa7 s PRO 94 N -0.16 4.28 0.26 2.79 0.02 -1.26 -4.80 135.00 136.12 1qa7 s PRO 94 Ca 0.52 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.55 1qa7 s PRO 94 Cb -0.31 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 1qa7 s PRO 94 CO 0.35 -0.34 1.55 0.15 -0.33 0.00 0.00 177.00 178.38 1qa7 s LYS 95 N -1.27 4.18 0.31 5.54 1.02 -1.26 -4.90 119.74 123.36 1qa7 s LYS 95 Ca 0.54 2.46 -0.15 0.00 0.02 0.00 0.00 55.97 58.84 1qa7 s LYS 95 Cb -0.42 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 33.73 1qa7 s LYS 95 CO 0.51 -0.57 0.72 -0.06 -0.92 0.00 0.00 175.35 175.03 1qa7 s PHE 96 N 0.23 3.39 0.40 3.18 0.08 0.88 -4.93 117.98 121.21 1qa7 s PHE 96 Ca 0.64 1.20 -0.25 0.00 0.12 0.00 0.00 56.93 58.64 1qa7 s PHE 96 Cb -0.45 -2.52 -0.08 0.00 -0.57 0.00 0.00 43.02 39.39 1qa7 s PHE 96 CO 0.43 0.12 1.20 0.50 -0.10 0.00 0.00 175.22 177.37 1qa7 s ARG 97 N -2.91 4.01 -0.10 0.44 3.52 -1.26 -2.92 118.95 119.74 1qa7 s ARG 97 Ca 0.53 1.92 -0.30 0.00 -0.13 0.00 0.00 55.73 57.75 1qa7 s ARG 97 Cb -0.11 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1qa7 s ARG 97 CO 0.18 -0.38 1.33 0.34 -0.81 0.00 0.00 175.30 175.96 1qa7 s ASP 98 N -1.04 6.91 -0.05 -2.12 -1.08 -1.26 -4.18 116.67 113.84 1qa7 s ASP 98 Ca 0.57 1.87 0.08 0.00 -0.52 0.00 0.00 52.55 54.55 1qa7 s ASP 98 Cb -0.32 -2.55 0.12 0.00 -1.46 0.00 0.00 42.92 38.71 1qa7 s ASP 98 CO 0.41 -0.74 1.00 2.30 0.52 0.00 0.00 175.17 178.66 1qa7 n ILE 99 N 5.11 1.09 0.26 4.11 -5.35 0.32 -4.74 119.36 120.16 1qa7 n ILE 99 Ca 0.14 -1.24 0.12 0.00 -0.27 0.00 0.00 62.75 61.50 1qa7 n ILE 99 Cb 0.45 0.26 0.73 0.00 -1.74 0.00 0.00 39.64 39.34 1qa7 n ILE 99 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1qa7 h THR 100 N 1.42 0.67 0.00 7.28 1.35 -1.87 -2.23 112.91 119.53 1qa7 h THR 100 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1qa7 h THR 100 Cb 0.90 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1qa7 h THR 100 CO 0.00 0.10 0.00 1.67 -0.25 0.00 0.00 175.52 177.04 1qa7 n GLN 101 N -3.84 0.14 -0.14 4.72 -0.06 -1.26 -2.42 117.38 114.52 1qa7 n GLN 101 Ca -0.02 0.07 0.12 0.00 -2.00 0.00 0.00 57.00 55.17 1qa7 n GLN 101 Cb 0.20 -1.50 0.22 0.00 -4.06 0.00 0.00 30.24 25.09 1qa7 n GLN 101 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1qa7 n HIS 102 N -1.41 0.37 -3.05 3.69 8.25 -0.84 -4.88 115.22 117.34 1qa7 n HIS 102 Ca 0.08 -0.18 -0.35 0.00 -0.26 0.00 0.00 57.72 57.01 1qa7 n HIS 102 Cb 0.25 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 1qa7 n HIS 102 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1qa7 s PHE 103 N -1.63 3.52 0.41 4.41 0.40 -1.02 -0.09 117.98 123.98 1qa7 s PHE 103 Ca 0.36 1.39 -0.26 0.00 -0.60 0.00 0.00 56.93 57.82 1qa7 s PHE 103 Cb 0.22 -2.65 -0.09 0.00 0.51 0.00 0.00 43.02 41.01 1qa7 s PHE 103 CO 0.31 0.19 1.37 -1.50 0.70 0.00 0.00 175.22 176.29 1qa7 s ILE 104 N -1.77 2.35 0.07 0.64 2.07 -0.39 -4.34 121.20 119.82 1qa7 s ILE 104 Ca 0.50 0.32 -0.25 0.00 -1.41 0.00 0.00 60.65 59.81 1qa7 s ILE 104 Cb -0.14 -3.19 -0.06 0.00 0.13 0.00 0.00 42.46 39.20 1qa7 s ILE 104 CO 0.19 0.05 0.75 -0.54 -1.91 0.00 0.00 174.94 173.48 1qa7 s LYS 105 N -2.27 4.49 0.45 3.50 1.02 -1.26 0.82 119.74 126.49 1qa7 s LYS 105 Ca 0.57 1.05 0.28 0.00 0.02 0.00 0.00 55.97 57.90 1qa7 s LYS 105 Cb -0.41 -3.33 1.33 0.00 -0.52 0.00 0.00 37.83 34.90 1qa7 s LYS 105 CO 0.54 0.37 1.72 -0.22 -0.92 0.00 0.00 175.35 176.84 1qa7 h LYS 106 N 5.30 0.19 0.00 1.68 3.64 -1.94 0.97 116.57 126.41 1qa7 h LYS 106 Ca -0.45 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1qa7 h LYS 106 Cb 1.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1qa7 h LYS 106 CO 0.69 0.12 -0.09 0.78 -2.27 0.00 0.00 179.45 178.68 1qa7 h GLY 107 N 0.19 0.00 -0.42 5.01 0.00 -2.03 -2.88 103.07 102.94 1qa7 h GLY 107 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1qa7 h GLY 107 CO -0.25 0.00 -0.46 1.22 0.00 0.00 0.00 176.54 177.04 1qa7 n ASP 108 N -3.75 1.54 -0.42 0.19 8.00 0.34 -4.53 116.55 117.92 1qa7 n ASP 108 Ca -0.02 -1.21 0.34 0.00 0.71 0.00 0.00 54.79 54.61 1qa7 n ASP 108 Cb 0.20 0.41 0.62 0.00 -0.02 0.00 0.00 41.12 42.33 1qa7 n ASP 108 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1qa7 h VAL 109 N 1.69 0.20 0.00 2.53 2.07 -1.40 0.12 116.25 121.46 1qa7 h VAL 109 Ca 0.00 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1qa7 h VAL 109 Cb 0.64 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1qa7 h VAL 109 CO 0.00 0.03 -0.60 -0.65 0.02 0.00 0.00 177.57 176.36 1qa7 h PRO 110 N 0.14 0.00 0.00 1.57 0.11 -1.84 -2.81 132.00 129.17 1qa7 h PRO 110 Ca 0.78 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.89 1qa7 h PRO 110 Cb 2.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.47 1qa7 h PRO 110 CO -0.40 0.60 0.00 0.54 -0.21 0.00 0.00 178.00 178.53 1qa7 n ARG 111 N -3.78 0.40 -0.00 1.05 5.12 0.43 -2.57 116.66 117.32 1qa7 n ARG 111 Ca -0.01 0.06 0.05 0.00 -1.93 0.00 0.00 57.85 56.02 1qa7 n ARG 111 Cb 0.61 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.34 1qa7 n ARG 111 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qa7 n ALA 112 N -1.12 2.86 -1.76 7.54 0.00 -1.06 -4.90 120.51 122.06 1qa7 n ALA 112 Ca 0.10 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1qa7 n ALA 112 Cb 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1qa7 n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qa7 s LEU 113 N -3.21 4.00 -1.55 0.00 2.01 -1.06 -2.87 118.68 116.00 1qa7 s LEU 113 Ca -0.00 2.46 0.00 0.00 0.01 0.00 0.00 54.13 56.59 1qa7 s LEU 113 Cb 0.08 -4.21 0.00 0.00 0.01 0.00 0.00 46.19 42.07 1qa7 s LEU 113 CO 0.45 -1.07 0.00 0.59 1.01 0.00 0.00 176.35 177.34 1qa7 n ASN 114 N -0.54 -5.25 -4.38 2.29 3.02 0.44 -4.80 115.26 106.04 1qa7 n ASN 114 Ca 0.08 0.36 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 1qa7 n ASN 114 Cb 0.47 -4.03 -0.11 0.00 -0.61 0.00 0.00 39.78 35.49 1qa7 n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qa7 s ARG 115 N -3.18 1.40 0.75 3.52 0.52 -1.14 -4.64 118.95 116.18 1qa7 s ARG 115 Ca 0.00 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.58 1qa7 s ARG 115 Cb 0.00 -1.49 0.04 0.00 0.52 0.00 0.00 34.95 34.02 1qa7 s ARG 115 CO 0.00 0.30 1.13 -0.51 0.02 0.00 0.00 175.30 176.24 1qa7 s LEU 116 N -2.86 2.74 0.17 2.53 1.43 -1.26 0.21 118.68 121.64 1qa7 s LEU 116 Ca 0.20 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 1qa7 s LEU 116 Cb -0.06 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1qa7 s LEU 116 CO 0.09 -1.58 0.35 0.00 0.23 0.00 0.00 176.35 175.44 1qa7 s ALA 117 N -3.43 -0.26 -0.15 4.21 0.00 -0.54 -2.75 121.76 118.83 1qa7 s ALA 117 Ca 0.60 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1qa7 s ALA 117 Cb -0.11 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1qa7 s ALA 117 CO 0.51 -0.69 -0.19 0.99 0.00 0.00 0.00 175.76 176.38 1qa7 s THR 118 N -3.94 1.92 -0.15 0.00 2.01 -0.02 -1.42 115.64 114.04 1qa7 s THR 118 Ca 0.15 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 1qa7 s THR 118 Cb 0.02 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1qa7 s THR 118 CO -0.01 0.52 0.78 -0.22 -0.69 0.00 0.00 174.62 175.00 1qa7 s LEU 119 N 1.14 4.20 -0.38 4.42 2.96 0.41 -1.57 118.68 129.86 1qa7 s LEU 119 Ca 0.00 1.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.95 1qa7 s LEU 119 Cb -0.14 -3.16 0.05 0.00 0.50 0.00 0.00 46.19 43.44 1qa7 s LEU 119 CO -0.08 -0.33 0.19 -0.69 -1.32 0.00 0.00 176.35 174.12 1qa7 s VAL 120 N 1.86 4.14 0.25 1.68 1.01 0.57 -0.90 120.40 129.01 1qa7 s VAL 120 Ca 0.37 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1qa7 s VAL 120 Cb -0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1qa7 s VAL 120 CO 0.13 -0.31 0.28 -0.89 0.00 0.00 0.00 175.10 174.31 1qa7 s THR 121 N 1.45 0.00 0.01 3.92 2.01 -1.02 -1.29 115.64 120.72 1qa7 s THR 121 Ca 0.01 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.24 1qa7 s THR 121 Cb -0.21 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1qa7 s THR 121 CO 0.04 0.00 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.99 1qa7 s THR 122 N -3.89 0.65 -0.60 -0.82 2.01 -1.26 0.84 115.64 112.57 1qa7 s THR 122 Ca 0.34 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1qa7 s THR 122 Cb 0.04 -0.60 0.17 0.00 0.01 0.00 0.00 72.50 72.11 1qa7 s THR 122 CO 0.14 0.00 0.44 -0.69 -0.69 0.00 0.00 174.62 173.82 1qa7 s VAL 123 N -0.58 1.99 -0.28 3.82 1.01 0.19 -4.87 120.40 121.67 1qa7 s VAL 123 Ca -0.01 -3.69 -0.17 0.00 0.00 0.00 0.00 61.98 58.12 1qa7 s VAL 123 Cb -0.05 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1qa7 s VAL 123 CO 0.00 -1.08 0.35 -0.46 0.00 0.00 0.00 175.10 173.91 1qa7 n ASN 124 N 2.30 -6.62 -0.31 3.32 6.94 -1.26 -2.48 115.26 117.16 1qa7 n ASN 124 Ca 0.23 0.37 -0.04 0.00 -0.02 0.00 0.00 54.58 55.12 1qa7 n ASN 124 Cb 0.39 -2.79 -0.02 0.00 -2.36 0.00 0.00 39.78 35.01 1qa7 n ASN 124 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qa7 n GLY 125 N 0.40 0.51 2.89 4.83 0.00 -1.26 -4.93 105.19 107.63 1qa7 n GLY 125 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1qa7 n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa7 s THR 126 N -1.61 2.40 0.37 2.61 2.01 -1.03 -5.08 115.64 115.30 1qa7 s THR 126 Ca 0.00 -3.34 -0.28 0.00 0.31 0.00 0.00 61.69 58.38 1qa7 s THR 126 Cb 0.00 -2.65 -0.11 0.00 0.01 0.00 0.00 72.50 69.75 1qa7 s THR 126 CO 0.00 -0.86 1.47 -2.84 -0.69 0.00 0.00 174.62 171.70 1qa7 s PRO 127 N -0.37 4.14 -0.05 4.92 0.02 -1.26 0.53 135.00 142.93 1qa7 s PRO 127 Ca 0.19 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.77 1qa7 s PRO 127 Cb -0.22 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.33 1qa7 s PRO 127 CO -0.03 -0.50 -0.12 -1.64 -0.33 0.00 0.00 177.00 174.38 1qa7 s MET 128 N -2.06 1.49 -0.42 5.54 -1.94 0.25 -4.88 119.30 117.27 1qa7 s MET 128 Ca 0.52 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 54.10 1qa7 s MET 128 Cb -0.46 -1.29 0.12 0.00 2.01 0.00 0.00 34.83 35.22 1qa7 s MET 128 CO 0.62 0.11 0.19 -0.51 -0.01 0.00 0.00 175.02 175.41 1qa7 s LEU 129 N 0.37 3.44 -0.21 -0.03 1.43 -1.26 -2.43 118.68 120.00 1qa7 s LEU 129 Ca -0.08 -2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 50.37 1qa7 s LEU 129 Cb -0.13 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1qa7 s LEU 129 CO 0.02 -0.30 0.38 -0.63 0.23 0.00 0.00 176.35 176.05 1qa7 s ILE 130 N 0.47 5.21 0.03 -0.59 -1.09 -0.08 -4.89 121.20 120.27 1qa7 s ILE 130 Ca 0.15 0.65 -0.25 0.00 -2.23 0.00 0.00 60.65 58.98 1qa7 s ILE 130 Cb -0.23 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1qa7 s ILE 130 CO -0.05 0.25 0.75 -0.55 -1.23 0.00 0.00 174.94 174.11 1qa7 s SER 131 N 1.10 7.19 0.22 3.58 0.15 -1.26 0.15 113.70 124.83 1qa7 s SER 131 Ca 0.18 1.42 -0.10 0.00 0.70 0.00 0.00 55.95 58.14 1qa7 s SER 131 Cb -0.15 -2.46 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1qa7 s SER 131 CO 0.08 0.01 0.39 -1.83 1.20 0.00 0.00 173.24 173.08 1qa7 s GLU 132 N 0.01 1.42 0.00 5.44 -1.05 -0.50 -4.73 118.70 119.29 1qa7 s GLU 132 Ca 0.38 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 1qa7 s GLU 132 Cb -0.20 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1qa7 s GLU 132 CO 0.22 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.28 1qa7 n GLY 133 N -0.33 -0.65 3.77 -3.83 0.00 -0.78 -1.47 105.19 101.88 1qa7 n GLY 133 Ca -0.02 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 1qa7 n GLY 133 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qa7 s PRO 134 N -0.15 3.34 0.45 1.61 0.02 -1.26 -4.02 135.00 135.00 1qa7 s PRO 134 Ca 0.00 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.47 1qa7 s PRO 134 Cb 0.00 -2.05 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1qa7 s PRO 134 CO 0.00 -0.87 1.15 -0.51 -0.33 0.00 0.00 177.00 176.44 1qa7 s LEU 135 N -3.73 4.02 0.27 -5.54 1.43 0.57 -4.63 118.68 111.07 1qa7 s LEU 135 Ca 0.72 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 56.18 1qa7 s LEU 135 Cb -0.26 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1qa7 s LEU 135 CO 0.29 -0.87 -0.12 -0.54 0.23 0.00 0.00 176.35 175.34 1qa7 s LYS 136 N -2.68 1.56 0.02 1.70 -0.14 -0.80 0.16 119.74 119.56 1qa7 s LYS 136 Ca 0.63 -1.75 0.06 0.00 -1.36 0.00 0.00 55.97 53.55 1qa7 s LYS 136 Cb -0.28 -1.36 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 1qa7 s LYS 136 CO 0.34 0.15 -0.18 1.41 -0.76 0.00 0.00 175.35 176.31 1qa7 s MET 137 N -3.64 1.32 -0.12 1.68 -2.45 -1.26 -1.67 119.30 113.16 1qa7 s MET 137 Ca 0.28 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 1qa7 s MET 137 Cb 0.01 -1.35 0.02 0.00 1.25 0.00 0.00 34.83 34.75 1qa7 s MET 137 CO 0.12 0.35 -0.12 -1.21 1.05 0.00 0.00 175.02 175.21 1qa7 s GLU 138 N -0.86 1.96 0.28 4.11 2.02 -0.48 -4.99 118.70 120.74 1qa7 s GLU 138 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1qa7 s GLU 138 Cb -0.08 -1.79 0.57 0.00 0.10 0.00 0.00 34.13 32.93 1qa7 s GLU 138 CO 0.01 -0.16 1.81 0.93 0.02 0.00 0.00 175.26 177.86 1qa7 h GLU 139 N 7.78 0.84 -1.73 1.61 5.08 -1.90 -1.81 114.58 124.45 1qa7 h GLU 139 Ca -0.33 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 1qa7 h GLU 139 Cb 1.15 -0.19 -0.29 0.00 0.50 0.00 0.00 28.75 29.93 1qa7 h GLU 139 CO 0.47 0.55 -0.53 0.21 -1.00 0.00 0.00 179.01 178.72 1qa7 s LYS 140 N -5.95 0.40 0.13 2.33 2.47 -1.25 -0.05 119.74 117.83 1qa7 s LYS 140 Ca -0.12 0.20 -0.06 0.00 -1.56 0.00 0.00 55.97 54.43 1qa7 s LYS 140 Cb 0.22 -0.32 -0.06 0.00 -1.46 0.00 0.00 37.83 36.21 1qa7 s LYS 140 CO 0.80 -0.97 0.39 0.00 0.16 0.00 0.00 175.35 175.73 1qa7 s ALA 141 N 2.55 3.76 0.07 3.13 0.00 0.31 -4.85 121.76 126.73 1qa7 s ALA 141 Ca 0.10 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1qa7 s ALA 141 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1qa7 s ALA 141 CO -0.28 0.64 -0.12 0.95 0.00 0.00 0.00 175.76 176.95 1qa7 s THR 142 N -1.62 3.21 -0.24 0.00 -4.23 -1.26 0.11 115.64 111.61 1qa7 s THR 142 Ca 0.40 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.53 1qa7 s THR 142 Cb -0.12 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.34 1qa7 s THR 142 CO 0.23 0.24 0.64 -0.72 -0.54 0.00 0.00 174.62 174.46 1qa7 s TYR 143 N -1.08 -0.74 0.46 3.99 -0.85 -0.22 -4.96 117.35 113.96 1qa7 s TYR 143 Ca 0.18 1.75 -0.25 0.00 -0.52 0.00 0.00 57.07 58.23 1qa7 s TYR 143 Cb -0.11 0.28 -0.08 0.00 0.38 0.00 0.00 41.96 42.43 1qa7 s TYR 143 CO 0.10 -0.36 1.40 0.08 -1.52 0.00 0.00 175.55 175.25 1qa7 s VAL 144 N 0.50 2.13 0.00 -3.49 1.01 -1.26 -2.67 120.40 116.62 1qa7 s VAL 144 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1qa7 s VAL 144 Cb -0.05 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1qa7 s VAL 144 CO -0.02 0.01 0.00 1.57 0.00 0.00 0.00 175.10 176.67 1qa7 n HIS 145 N -0.28 0.00 0.00 5.22 -0.00 -0.79 -4.78 115.22 114.58 1qa7 n HIS 145 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1qa7 n HIS 145 Cb 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 1qa7 n HIS 145 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1qa7 n LYS 146 N -2.35 3.40 0.00 1.57 4.76 -1.26 -4.77 118.16 119.51 1qa7 n LYS 146 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1qa7 n LYS 146 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1qa7 n LYS 146 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1qa7 n LYS 147 N 0.00 0.00 -2.42 1.97 2.85 -1.26 -4.97 118.16 114.34 1qa7 n LYS 147 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1qa7 n LYS 147 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1qa7 n LYS 147 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1qa7 s ASN 148 N 1.68 6.23 0.00 -5.58 0.01 -1.26 -4.67 114.94 111.34 1qa7 s ASN 148 Ca 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 52.86 50.22 1qa7 s ASN 148 Cb 0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1qa7 s ASN 148 CO 0.00 -1.79 0.07 -0.67 -1.51 0.00 0.00 177.10 173.20 1qa7 n ASP 149 N 10.29 -0.15 -0.11 -1.22 2.03 -1.26 -4.39 116.55 121.75 1qa7 n ASP 149 Ca 0.44 -0.11 -0.19 0.00 0.52 0.00 0.00 54.79 55.46 1qa7 n ASP 149 Cb 0.47 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.80 1qa7 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qa7 n GLY 150 N 0.68 -0.70 2.94 0.27 0.00 -1.26 -4.95 105.19 102.17 1qa7 n GLY 150 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1qa7 n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qa7 s THR 151 N -2.47 0.02 -1.22 2.61 -4.23 -1.26 -5.07 115.64 104.01 1qa7 s THR 151 Ca -0.29 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1qa7 s THR 151 Cb 0.08 -0.12 0.20 0.00 1.34 0.00 0.00 72.50 73.99 1qa7 s THR 151 CO 0.46 -0.09 1.69 0.41 -0.54 0.00 0.00 174.62 176.55 1qa7 n THR 152 N 2.77 4.52 -2.19 3.99 -1.04 -1.26 -4.45 114.28 116.62 1qa7 n THR 152 Ca -0.14 -4.78 -0.41 0.00 -2.04 0.00 0.00 64.05 56.68 1qa7 n THR 152 Cb 0.59 -2.34 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 1qa7 n THR 152 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qa7 s VAL 153 N -0.05 2.91 -0.38 12.58 1.01 -1.26 -4.84 120.40 130.37 1qa7 s VAL 153 Ca 0.38 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 1qa7 s VAL 153 Cb 0.06 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1qa7 s VAL 153 CO 0.02 0.21 0.17 -1.81 0.00 0.00 0.00 175.10 173.69 1qa7 s ASP 154 N -0.48 5.39 0.32 3.32 1.11 -1.26 -1.89 116.67 123.18 1qa7 s ASP 154 Ca 0.49 -1.45 0.08 0.00 0.18 0.00 0.00 52.55 51.85 1qa7 s ASP 154 Cb -0.38 -1.89 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 1qa7 s ASP 154 CO 0.49 -0.44 0.13 -0.76 1.18 0.00 0.00 175.17 175.77 1qa7 s LEU 155 N 1.35 3.33 -0.02 1.23 1.43 -1.09 -4.95 118.68 119.96 1qa7 s LEU 155 Ca 0.02 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1qa7 s LEU 155 Cb -0.21 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1qa7 s LEU 155 CO 0.01 -0.22 -0.04 0.42 0.23 0.00 0.00 176.35 176.75 1qa7 s THR 156 N -2.37 0.42 -0.12 5.49 -4.23 -1.26 -1.06 115.64 112.51 1qa7 s THR 156 Ca 0.36 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.68 1qa7 s THR 156 Cb -0.04 -0.40 -0.03 0.00 1.34 0.00 0.00 72.50 73.36 1qa7 s THR 156 CO 0.23 0.15 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.77 1qa7 s VAL 157 N 0.32 4.25 -0.25 2.29 1.01 0.30 -4.86 120.40 123.46 1qa7 s VAL 157 Ca -0.04 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1qa7 s VAL 157 Cb -0.07 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1qa7 s VAL 157 CO -0.00 0.54 0.45 -1.81 0.00 0.00 0.00 175.10 174.28 1qa7 s ASP 158 N -0.26 6.38 -0.50 3.32 1.01 -1.26 0.11 116.67 125.47 1qa7 s ASP 158 Ca 0.06 0.45 -0.02 0.00 0.71 0.00 0.00 52.55 53.75 1qa7 s ASP 158 Cb -0.12 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 1qa7 s ASP 158 CO 0.02 -0.20 0.45 0.00 0.21 0.00 0.00 175.17 175.65 1qa7 n GLN 159 N 5.21 -1.03 -4.67 8.23 6.02 0.92 -4.71 117.38 127.35 1qa7 n GLN 159 Ca -0.06 0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 57.30 1qa7 n GLN 159 Cb 0.50 -3.83 -0.13 0.00 1.02 0.00 0.00 30.24 27.80 1qa7 n GLN 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qa7 s ALA 160 N -3.13 2.55 0.46 -1.58 0.00 -0.69 -1.01 121.76 118.36 1qa7 s ALA 160 Ca 0.16 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1qa7 s ALA 160 Cb -0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 1qa7 s ALA 160 CO 0.40 0.57 0.87 -1.58 0.00 0.00 0.00 175.76 176.02 1qa7 s TRP 161 N -0.92 3.47 -0.04 0.00 0.52 0.23 -1.38 118.94 120.82 1qa7 s TRP 161 Ca 0.14 1.23 -0.01 0.00 0.02 0.00 0.00 56.10 57.48 1qa7 s TRP 161 Cb -0.10 -2.60 0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1qa7 s TRP 161 CO 0.05 -0.24 0.02 1.03 0.02 0.00 0.00 176.95 177.83 1qa7 s ARG 162 N -4.01 0.27 -0.01 4.98 0.52 -0.67 -1.57 118.95 118.47 1qa7 s ARG 162 Ca 0.54 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 1qa7 s ARG 162 Cb -0.10 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.76 1qa7 s ARG 162 CO 0.32 -0.23 -0.03 0.20 0.02 0.00 0.00 175.30 175.59 1qa7 s GLY 163 N 1.56 0.17 0.15 -3.53 0.00 0.34 -1.90 107.32 104.11 1qa7 s GLY 163 Ca -0.02 -0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 1qa7 s GLY 163 CO -0.03 0.01 1.38 1.25 0.00 0.00 0.00 173.10 175.71 1qa7 s LYS 164 N 0.12 4.33 0.00 2.90 2.20 -1.26 0.11 119.74 128.15 1qa7 s LYS 164 Ca -0.01 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 1qa7 s LYS 164 Cb -0.04 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1qa7 s LYS 164 CO -0.00 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1qa7 n GLY 165 N 3.11 1.02 3.09 5.54 0.00 -0.88 -1.87 105.19 115.20 1qa7 n GLY 165 Ca 0.10 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1qa7 n GLY 165 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qa7 s GLU 166 N -2.00 2.52 -0.01 1.61 1.03 -1.26 -3.55 118.70 117.04 1qa7 s GLU 166 Ca 0.00 -0.67 0.08 0.00 0.03 0.00 0.00 54.97 54.41 1qa7 s GLU 166 Cb 0.00 -2.13 -0.02 0.00 -0.80 0.00 0.00 34.13 31.18 1qa7 s GLU 166 CO 0.00 -0.09 -0.25 0.20 -1.33 0.00 0.00 175.26 173.80 1qa7 s GLY 167 N 1.04 1.32 0.65 -3.83 0.00 -1.26 -5.03 107.32 100.20 1qa7 s GLY 167 Ca -0.04 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1qa7 s GLY 167 CO -0.04 -0.94 1.05 1.08 0.00 0.00 0.00 173.10 174.25 1qa7 s LEU 168 N -0.71 3.12 0.83 0.66 1.43 -1.26 -4.91 118.68 117.84 1qa7 s LEU 168 Ca 0.10 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1qa7 s LEU 168 Cb -0.10 -4.27 0.09 0.00 0.03 0.00 0.00 46.19 41.94 1qa7 s LEU 168 CO -0.00 -1.03 1.09 -2.84 0.23 0.00 0.00 176.35 173.80 1qa7 s PRO 169 N -5.24 1.81 0.00 1.29 0.02 -1.26 -3.38 135.00 128.24 1qa7 s PRO 169 Ca 0.56 0.74 0.00 0.00 0.02 0.00 0.00 61.00 62.32 1qa7 s PRO 169 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1qa7 s PRO 169 CO 0.53 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.77 1qa7 n GLY 170 N -1.70 2.43 0.33 0.52 0.00 -1.26 -4.87 105.19 100.65 1qa7 n GLY 170 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.31 1qa7 n GLY 170 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qa7 h MET 171 N 2.37 0.00 -6.81 1.61 2.86 -1.91 -3.40 114.93 109.65 1qa7 h MET 171 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1qa7 h MET 171 Cb 0.00 0.00 0.07 0.00 0.06 0.00 0.00 31.60 31.73 1qa7 h MET 171 CO 0.00 0.00 0.77 0.00 1.06 0.00 0.00 176.91 178.74 1qa7 n GLY 173 N 1.67 0.92 3.72 0.00 0.00 -0.67 -1.29 105.19 109.53 1qa7 n GLY 173 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1qa7 n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qa7 s GLY 174 N -1.66 1.58 -0.11 -0.02 0.00 -0.64 -4.28 107.32 102.18 1qa7 s GLY 174 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1qa7 s GLY 174 CO 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 173.10 173.19 1qa7 s ALA 175 N -3.13 3.20 -0.24 3.20 0.00 -0.41 -0.93 121.76 123.46 1qa7 s ALA 175 Ca 0.66 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1qa7 s ALA 175 Cb -0.16 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1qa7 s ALA 175 CO 0.56 0.44 0.53 -1.17 0.00 0.00 0.00 175.76 176.12 1qa7 s LEU 176 N -0.40 4.09 -0.13 0.00 2.96 0.10 -0.31 118.68 124.98 1qa7 s LEU 176 Ca 0.07 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 1qa7 s LEU 176 Cb -0.12 -2.70 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1qa7 s LEU 176 CO 0.02 -0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.91 1qa7 s VAL 177 N 2.09 2.36 0.32 1.68 1.01 -0.61 0.16 120.40 127.42 1qa7 s VAL 177 Ca 0.23 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1qa7 s VAL 177 Cb -0.16 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 1qa7 s VAL 177 CO 0.09 0.54 1.25 -0.55 0.00 0.00 0.00 175.10 176.43 1qa7 s SER 178 N 0.57 6.89 0.00 3.32 0.15 -0.24 -0.84 113.70 123.56 1qa7 s SER 178 Ca -0.11 2.57 0.29 0.00 0.70 0.00 0.00 55.95 59.40 1qa7 s SER 178 Cb -0.16 -2.64 1.37 0.00 -1.71 0.00 0.00 66.02 62.87 1qa7 s SER 178 CO 0.04 -0.44 1.93 -1.20 1.20 0.00 0.00 173.24 174.77 1qa7 n SER 179 N 0.88 0.73 -4.53 5.45 7.64 -1.11 -4.04 113.62 118.64 1qa7 n SER 179 Ca -0.00 -1.08 -0.43 0.00 1.01 0.00 0.00 58.87 58.37 1qa7 n SER 179 Cb 0.43 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 1qa7 n SER 179 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1qa7 s ASN 180 N -2.14 6.35 0.24 6.43 3.84 -1.26 -4.90 114.94 123.49 1qa7 s ASN 180 Ca 0.39 -0.29 -0.06 0.00 0.21 0.00 0.00 52.86 53.11 1qa7 s ASN 180 Cb 0.21 -2.47 0.23 0.00 -0.55 0.00 0.00 41.25 38.68 1qa7 s ASN 180 CO 0.39 -1.32 1.84 1.56 -2.79 0.00 0.00 177.10 176.78 1qa7 h GLN 181 N 9.40 1.19 0.00 0.43 4.20 -1.94 -1.66 115.11 126.73 1qa7 h GLN 181 Ca -0.26 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1qa7 h GLN 181 Cb 1.07 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1qa7 h GLN 181 CO 1.12 0.91 0.00 -1.13 -0.67 0.00 0.00 178.83 179.06 1qa7 n SER 182 N -4.31 0.41 -0.94 1.46 3.41 -1.26 0.16 113.62 112.55 1qa7 n SER 182 Ca 0.08 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1qa7 n SER 182 Cb 0.13 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 63.59 1qa7 n SER 182 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1qa7 n ILE 183 N -2.01 1.38 -3.44 -1.33 -5.35 -0.93 -4.96 119.36 102.71 1qa7 n ILE 183 Ca 0.00 -1.19 -0.21 0.00 -0.27 0.00 0.00 62.75 61.08 1qa7 n ILE 183 Cb 0.09 0.30 0.07 0.00 -1.74 0.00 0.00 39.64 38.36 1qa7 n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qa7 n GLN 184 N 0.58 -6.95 -4.14 6.28 0.00 0.42 -3.25 117.38 110.32 1qa7 n GLN 184 Ca 0.17 0.75 -0.30 0.00 0.00 0.00 0.00 57.00 57.62 1qa7 n GLN 184 Cb 0.62 -5.52 -0.06 0.00 0.00 0.00 0.00 30.24 25.28 1qa7 n GLN 184 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1qa7 n ASN 185 N -2.50 -0.07 -4.69 2.61 4.13 -0.67 -4.83 115.26 109.24 1qa7 n ASN 185 Ca 0.00 -1.17 -0.37 0.00 1.68 0.00 0.00 54.58 54.72 1qa7 n ASN 185 Cb 0.56 -2.22 0.07 0.00 -1.54 0.00 0.00 39.78 36.65 1qa7 n ASN 185 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qa7 n ALA 186 N -4.54 0.81 -2.25 5.41 0.00 -1.20 -3.95 120.51 114.79 1qa7 n ALA 186 Ca -0.30 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 1qa7 n ALA 186 Cb 0.68 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 1qa7 n ALA 186 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qa7 s ILE 187 N -1.45 4.09 -0.08 0.00 1.01 0.87 -1.07 121.20 124.56 1qa7 s ILE 187 Ca 0.81 1.67 0.16 0.00 0.00 0.00 0.00 60.65 63.28 1qa7 s ILE 187 Cb -0.39 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 37.79 1qa7 s ILE 187 CO 0.42 0.22 0.37 0.18 0.00 0.00 0.00 174.94 176.14 1qa7 n LEU 188 N 3.00 0.07 0.00 2.97 4.77 0.42 -1.26 117.00 126.96 1qa7 n LEU 188 Ca 0.05 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qa7 n LEU 188 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1qa7 n LEU 188 CO 0.54 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1qa7 n GLY 189 N 1.60 -0.62 3.13 -0.72 0.00 -1.24 -1.74 105.19 105.59 1qa7 n GLY 189 Ca -0.02 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 1qa7 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qa7 s ILE 190 N -2.99 1.32 0.13 -0.61 -1.09 -0.79 -0.73 121.20 116.44 1qa7 s ILE 190 Ca 0.00 -0.69 -0.31 0.00 -2.23 0.00 0.00 60.65 57.43 1qa7 s ILE 190 Cb 0.00 -1.12 -0.08 0.00 -1.58 0.00 0.00 42.46 39.69 1qa7 s ILE 190 CO 0.00 0.38 1.33 -2.28 -1.23 0.00 0.00 174.94 173.13 1qa7 s HIS 191 N -0.18 3.29 0.00 3.97 5.65 -0.10 0.47 115.29 128.40 1qa7 s HIS 191 Ca 0.02 1.10 0.00 0.00 0.25 0.00 0.00 55.06 56.43 1qa7 s HIS 191 Cb -0.09 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 1qa7 s HIS 191 CO 0.01 -2.01 0.00 1.33 -0.65 0.00 0.00 174.74 173.41 1qa7 n VAL 192 N 3.57 0.00 -3.51 0.89 0.24 -0.18 -1.67 118.33 117.66 1qa7 n VAL 192 Ca 0.09 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1qa7 n VAL 192 Cb 0.43 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 1qa7 n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qa7 s ALA 193 N -1.28 -1.45 0.10 2.33 0.00 -1.03 -5.01 121.76 115.42 1qa7 s ALA 193 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1qa7 s ALA 193 Cb 0.00 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1qa7 s ALA 193 CO 0.00 -0.61 0.53 0.20 0.00 0.00 0.00 175.76 175.88 1qa7 s GLY 194 N -2.28 -0.47 0.00 0.00 0.00 -1.26 -0.81 107.32 102.50 1qa7 s GLY 194 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1qa7 s GLY 194 CO -0.06 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1qa7 n GLY 195 N 0.00 4.16 2.70 0.20 0.00 -0.73 -4.97 105.19 106.56 1qa7 n GLY 195 Ca -0.17 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 1qa7 n GLY 195 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qa7 n ASN 196 N 0.00 -5.98 0.00 1.61 3.02 -1.26 -2.07 115.26 110.58 1qa7 n ASN 196 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1qa7 n ASN 196 Cb 0.00 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.28 1qa7 n ASN 196 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qa7 n SER 197 N -2.20 -1.05 -4.21 6.41 2.88 -1.26 -5.01 113.62 109.18 1qa7 n SER 197 Ca -0.18 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.14 1qa7 n SER 197 Cb 0.65 -0.71 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 1qa7 n SER 197 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1qa7 s ILE 198 N -2.91 1.40 -0.11 2.46 2.07 -0.88 -2.07 121.20 121.16 1qa7 s ILE 198 Ca 0.00 -1.18 0.01 0.00 -1.41 0.00 0.00 60.65 58.07 1qa7 s ILE 198 Cb 0.00 -1.25 -0.02 0.00 0.13 0.00 0.00 42.46 41.32 1qa7 s ILE 198 CO 0.00 0.04 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.19 1qa7 s LEU 199 N -1.32 2.80 -0.08 8.50 1.43 0.31 -1.77 118.68 128.55 1qa7 s LEU 199 Ca 0.04 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1qa7 s LEU 199 Cb -0.09 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1qa7 s LEU 199 CO 0.02 0.22 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 1qa7 s VAL 200 N 0.00 3.28 0.12 -1.59 1.01 0.01 -0.51 120.40 122.73 1qa7 s VAL 200 Ca -0.03 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1qa7 s VAL 200 Cb -0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1qa7 s VAL 200 CO 0.04 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.57 1qa7 s ALA 201 N -0.45 1.50 -0.13 5.51 0.00 -0.61 -1.01 121.76 126.56 1qa7 s ALA 201 Ca 0.06 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 1qa7 s ALA 201 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1qa7 s ALA 201 CO 0.02 0.11 0.74 0.21 0.00 0.00 0.00 175.76 176.84 1qa7 s LYS 202 N -2.62 4.34 0.19 0.00 2.47 0.18 -0.60 119.74 123.70 1qa7 s LYS 202 Ca 0.09 0.88 -0.31 0.00 -1.56 0.00 0.00 55.97 55.07 1qa7 s LYS 202 Cb -0.05 -3.52 -0.09 0.00 -1.46 0.00 0.00 37.83 32.70 1qa7 s LYS 202 CO 0.03 -0.15 1.43 -1.17 0.16 0.00 0.00 175.35 175.65 1qa7 s LEU 203 N 1.54 4.39 -0.16 5.43 2.96 -0.18 -1.88 118.68 130.78 1qa7 s LEU 203 Ca 0.36 2.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.77 1qa7 s LEU 203 Cb -0.17 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 42.96 1qa7 s LEU 203 CO 0.14 -0.68 0.02 -0.69 -1.32 0.00 0.00 176.35 173.83 1qa7 s VAL 204 N 0.49 0.53 0.43 1.68 1.01 -0.71 -4.93 120.40 118.90 1qa7 s VAL 204 Ca 0.62 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1qa7 s VAL 204 Cb -0.40 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1qa7 s VAL 204 CO 0.37 -0.07 0.60 0.42 0.00 0.00 0.00 175.10 176.42 1qa7 s THR 205 N 1.87 3.27 0.54 3.92 -4.23 -1.26 -4.27 115.64 115.48 1qa7 s THR 205 Ca 0.01 -0.88 0.23 0.00 -1.18 0.00 0.00 61.69 59.86 1qa7 s THR 205 Cb -0.16 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 70.88 1qa7 s THR 205 CO -0.07 -0.07 2.09 -0.61 -0.54 0.00 0.00 174.62 175.42 1qa7 h GLN 206 N 0.55 0.00 0.00 3.99 4.15 0.22 -2.63 115.11 121.40 1qa7 h GLN 206 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1qa7 h GLN 206 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1qa7 h GLN 206 CO 0.49 0.00 -0.15 0.93 -1.93 0.00 0.00 178.83 178.18 1qa7 h GLU 207 N 0.00 0.00 0.00 1.69 3.07 -1.94 -3.16 114.58 114.24 1qa7 h GLU 207 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1qa7 h GLU 207 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1qa7 h GLU 207 CO -0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 1qa7 n MET 208 N -2.59 0.10 0.15 2.33 2.81 -0.99 -2.68 117.12 116.25 1qa7 n MET 208 Ca 0.04 0.23 0.04 0.00 -1.81 0.00 0.00 57.70 56.20 1qa7 n MET 208 Cb 0.48 -1.65 0.08 0.00 -0.71 0.00 0.00 33.22 31.42 1qa7 n MET 208 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1qa7 h PHE 209 N 0.00 0.00 0.00 2.03 0.04 -1.70 -3.01 116.94 114.31 1qa7 h PHE 209 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1qa7 h PHE 209 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1qa7 h PHE 209 CO 0.00 0.45 0.27 1.96 -0.60 0.00 0.00 178.31 180.39 1qa7 h GLN 210 N 0.00 0.00 0.00 1.51 4.20 -1.69 0.33 115.11 119.46 1qa7 h GLN 210 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1qa7 h GLN 210 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1qa7 h GLN 210 CO 0.06 0.00 -0.35 -0.91 -0.67 0.00 0.00 178.83 176.96 1qa7 h ASN 211 N 0.00 0.00 0.00 1.46 2.35 -1.75 -3.04 115.58 114.59 1qa7 h ASN 211 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1qa7 h ASN 211 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1qa7 h ASN 211 CO 0.00 0.35 -1.24 2.30 -1.65 0.00 0.00 177.43 177.19 1qa7 n ILE 212 N -3.86 0.10 1.37 2.81 -0.00 -0.76 -5.11 119.36 113.90 1qa7 n ILE 212 Ca -0.01 -0.13 0.13 0.00 -0.00 0.00 0.00 62.75 62.74 1qa7 n ILE 212 Cb 0.42 -0.02 0.41 0.00 -0.00 0.00 0.00 39.64 40.45 1qa7 n ILE 212 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88