#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 0.76 -0.17 2.46 2.02 -1.93 0.25 112.91 116.30 1qa7 h THR 2 Ca 0.00 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 1qa7 h THR 2 Cb 0.00 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1qa7 h THR 2 CO 0.00 0.13 -0.52 0.25 0.37 0.00 0.00 175.52 175.75 1qa7 h LEU 3 N 0.71 0.51 0.48 2.58 5.85 -1.98 -0.81 115.31 122.65 1qa7 h LEU 3 Ca 0.52 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1qa7 h LEU 3 Cb 0.87 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1qa7 h LEU 3 CO -0.29 0.94 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.40 1qa7 h GLU 4 N 0.37 -0.68 -0.06 1.25 4.81 -1.00 0.10 114.58 119.37 1qa7 h GLU 4 Ca 0.01 0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1qa7 h GLU 4 Cb 1.03 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1qa7 h GLU 4 CO 0.09 -0.46 -0.33 0.82 -0.73 0.00 0.00 179.01 178.41 1qa7 h ILE 5 N -0.71 1.25 -0.20 2.32 1.08 -1.21 -1.42 117.51 118.63 1qa7 h ILE 5 Ca -0.06 -1.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.13 1qa7 h ILE 5 Cb 0.57 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1qa7 h ILE 5 CO 0.07 0.35 -0.22 0.00 -0.69 0.00 0.00 178.15 177.66 1qa7 h ALA 6 N 1.58 1.26 -0.39 1.87 0.00 -0.96 -0.84 119.26 121.78 1qa7 h ALA 6 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1qa7 h ALA 6 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1qa7 h ALA 6 CO 0.05 0.49 0.14 0.78 0.00 0.00 0.00 179.25 180.70 1qa7 h GLY 7 N 0.96 0.64 0.73 0.00 0.00 0.31 0.58 103.07 106.29 1qa7 h GLY 7 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1qa7 h GLY 7 CO 0.04 0.34 0.00 1.41 0.00 0.00 0.00 176.54 178.34 1qa7 h LEU 8 N 0.49 0.04 -0.36 3.11 3.38 -1.30 -2.43 115.31 118.23 1qa7 h LEU 8 Ca 0.13 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1qa7 h LEU 8 Cb 0.23 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1qa7 h LEU 8 CO -0.01 0.31 0.09 0.58 0.09 0.00 0.00 178.44 179.51 1qa7 h VAL 9 N -0.23 0.85 -0.85 1.22 2.07 -1.02 -2.12 116.25 116.16 1qa7 h VAL 9 Ca 0.01 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.66 1qa7 h VAL 9 Cb 0.29 0.60 -0.12 0.00 -1.52 0.00 0.00 31.29 30.54 1qa7 h VAL 9 CO 0.00 0.04 0.30 -0.09 0.02 0.00 0.00 177.57 177.84 1qa7 h ARG 10 N 0.22 0.32 0.00 1.57 9.65 0.35 -0.55 114.38 125.94 1qa7 h ARG 10 Ca 0.17 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1qa7 h ARG 10 Cb 0.18 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1qa7 h ARG 10 CO -0.20 0.21 0.00 0.87 2.80 0.00 0.00 179.97 183.64 1qa7 h LYS 11 N 0.33 0.00 -0.01 0.20 1.57 -0.89 -2.62 116.57 115.14 1qa7 h LYS 11 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1qa7 h LYS 11 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1qa7 h LYS 11 CO -0.55 0.00 -0.21 0.09 -0.57 0.00 0.00 179.45 178.21 1qa7 n ASN 12 N -2.77 1.66 -4.76 0.86 4.13 -0.28 -4.96 115.26 109.14 1qa7 n ASN 12 Ca -0.00 -1.33 -0.40 0.00 1.68 0.00 0.00 54.58 54.53 1qa7 n ASN 12 Cb 0.18 0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 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 -1.70 4.60 0.19 3.41 2.96 -0.78 -1.63 118.68 125.74 1qa7 s LEU 13 Ca 0.13 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 1qa7 s LEU 13 Cb 0.11 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1qa7 s LEU 13 CO 0.30 0.14 0.03 0.68 -1.32 0.00 0.00 176.35 176.18 1qa7 s VAL 14 N -1.24 0.61 0.20 1.68 -7.23 -0.48 -4.81 120.40 109.14 1qa7 s VAL 14 Ca 0.42 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1qa7 s VAL 14 Cb -0.25 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 1qa7 s VAL 14 CO 0.30 -0.35 0.45 -1.10 -0.31 0.00 0.00 175.10 174.09 1qa7 s GLN 15 N -3.95 3.64 -0.11 4.82 -0.21 -1.03 -0.96 119.66 121.85 1qa7 s GLN 15 Ca 0.28 -0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.64 1qa7 s GLN 15 Cb 0.07 -2.76 0.01 0.00 1.00 0.00 0.00 33.01 31.32 1qa7 s GLN 15 CO 0.06 0.37 -0.21 0.12 -2.12 0.00 0.00 175.29 173.51 1qa7 s PHE 16 N -1.83 2.38 0.23 0.91 2.19 0.45 -1.50 117.98 120.82 1qa7 s PHE 16 Ca 0.42 -1.08 0.04 0.00 0.33 0.00 0.00 56.93 56.65 1qa7 s PHE 16 Cb -0.11 -1.63 -0.05 0.00 -1.31 0.00 0.00 43.02 39.91 1qa7 s PHE 16 CO 0.26 -0.48 -0.01 0.20 1.83 0.00 0.00 175.22 177.02 1qa7 s GLY 17 N 0.65 1.57 -0.08 13.12 0.00 0.53 -0.16 107.32 122.94 1qa7 s GLY 17 Ca -0.12 -1.77 0.04 0.00 0.00 0.00 0.00 44.72 42.87 1qa7 s GLY 17 CO 0.03 -1.68 -0.23 0.14 0.00 0.00 0.00 173.10 171.36 1qa7 s VAL 18 N -3.38 2.24 0.39 1.40 1.01 0.96 -0.59 120.40 122.43 1qa7 s VAL 18 Ca 0.28 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1qa7 s VAL 18 Cb 0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1qa7 s VAL 18 CO 0.09 0.56 0.29 -0.83 0.00 0.00 0.00 175.10 175.21 1qa7 s GLY 19 N 0.06 2.10 0.00 4.51 0.00 0.27 -1.01 107.32 113.25 1qa7 s GLY 19 Ca -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1qa7 s GLY 19 CO 0.06 -1.73 0.00 -2.21 0.00 0.00 0.00 173.10 169.21 1qa7 n GLU 20 N -1.40 0.00 -3.73 2.90 2.13 -1.25 -0.94 120.64 118.35 1qa7 n GLU 20 Ca 0.01 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.59 1qa7 n GLU 20 Cb 0.62 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.16 1qa7 n GLU 20 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qa7 s LYS 21 N 0.43 0.42 0.00 5.31 -0.14 -1.26 -4.64 119.74 119.86 1qa7 s LYS 21 Ca 0.00 0.03 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1qa7 s LYS 21 Cb 0.00 -1.21 0.00 0.00 -1.68 0.00 0.00 37.83 34.94 1qa7 s LYS 21 CO 0.00 -0.42 0.00 -1.71 -0.76 0.00 0.00 175.35 172.46 1qa7 n ASN 22 N 5.17 0.00 0.00 2.83 4.05 -1.26 -4.73 115.26 121.32 1qa7 n ASN 22 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 1qa7 n ASN 22 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 1qa7 n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qa7 n GLY 23 N 0.00 0.76 3.90 8.20 0.00 -1.26 -5.07 105.19 111.72 1qa7 n GLY 23 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1qa7 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qa7 s SER 24 N -2.40 6.25 0.01 1.61 1.04 -1.26 -4.94 113.70 114.01 1qa7 s SER 24 Ca 0.00 1.04 0.08 0.00 0.48 0.00 0.00 55.95 57.55 1qa7 s SER 24 Cb 0.00 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 1qa7 s SER 24 CO 0.00 -0.65 -0.24 0.54 0.98 0.00 0.00 173.24 173.88 1qa7 s VAL 25 N -2.84 2.30 -0.23 5.02 0.11 -1.26 -3.90 120.40 119.60 1qa7 s VAL 25 Ca 0.49 -1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 1qa7 s VAL 25 Cb -0.10 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1qa7 s VAL 25 CO 0.47 0.46 0.03 -0.13 -3.33 0.00 0.00 175.10 172.59 1qa7 s ARG 26 N -1.00 3.59 -0.04 1.54 0.52 -0.18 -4.92 118.95 118.45 1qa7 s ARG 26 Ca 0.12 -0.52 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 1qa7 s ARG 26 Cb -0.10 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 1qa7 s ARG 26 CO 0.01 -0.14 0.92 -1.58 0.02 0.00 0.00 175.30 174.54 1qa7 s TRP 27 N 1.42 3.61 -0.13 -0.53 0.52 -1.26 -0.03 118.94 122.54 1qa7 s TRP 27 Ca 0.05 1.57 -0.03 0.00 0.02 0.00 0.00 56.10 57.72 1qa7 s TRP 27 Cb -0.15 -3.06 -0.07 0.00 -1.15 0.00 0.00 33.47 29.04 1qa7 s TRP 27 CO 0.02 -0.04 -0.14 0.28 0.02 0.00 0.00 176.95 177.09 1qa7 n VAL 28 N 4.03 0.72 -0.98 4.03 0.31 0.77 -4.93 118.33 122.28 1qa7 n VAL 28 Ca 0.05 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1qa7 n VAL 28 Cb 0.51 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 -3.20 0.00 -4.31 5.55 0.00 -1.02 -4.93 117.12 109.22 1qa7 n MET 29 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.22 1qa7 n MET 29 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.85 1qa7 n MET 29 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1qa7 s ASN 30 N 2.00 4.26 0.08 3.17 0.01 0.54 -0.41 114.94 124.59 1qa7 s ASN 30 Ca 0.00 -0.92 -0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1qa7 s ASN 30 Cb 0.00 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 1qa7 s ASN 30 CO 0.00 -0.20 -0.00 0.00 -1.51 0.00 0.00 177.10 175.39 1qa7 s ALA 31 N -2.48 0.67 -0.16 0.60 0.00 -0.14 -4.16 121.76 116.09 1qa7 s ALA 31 Ca 0.34 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1qa7 s ALA 31 Cb -0.02 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.62 1qa7 s ALA 31 CO 0.20 -0.41 -0.07 -1.17 0.00 0.00 0.00 175.76 174.31 1qa7 s LEU 32 N -2.97 1.57 0.30 0.00 2.96 -0.85 -1.38 118.68 118.32 1qa7 s LEU 32 Ca 0.14 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1qa7 s LEU 32 Cb 0.08 -0.94 -0.10 0.00 0.50 0.00 0.00 46.19 45.73 1qa7 s LEU 32 CO -0.05 -0.16 1.35 -0.83 -1.32 0.00 0.00 176.35 175.33 1qa7 s GLY 33 N 1.62 2.79 -0.03 7.98 0.00 -0.64 -1.18 107.32 117.87 1qa7 s GLY 33 Ca 0.02 1.28 0.04 0.00 0.00 0.00 0.00 44.72 46.06 1qa7 s GLY 33 CO -0.08 2.03 0.06 3.33 0.00 0.00 0.00 173.10 178.44 1qa7 n VAL 34 N 1.30 0.16 -3.65 1.40 0.24 -0.76 -4.83 118.33 112.19 1qa7 n VAL 34 Ca 0.02 -0.15 -0.02 0.00 -2.04 0.00 0.00 64.34 62.15 1qa7 n VAL 34 Cb 0.41 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 1qa7 n VAL 34 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1qa7 s LYS 35 N -2.22 0.26 2.90 7.34 2.20 -1.24 -1.33 119.74 127.66 1qa7 s LYS 35 Ca -0.02 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1qa7 s LYS 35 Cb 0.02 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1qa7 s LYS 35 CO 0.19 -0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 174.88 1qa7 n ASP 36 N 3.10 0.00 -1.15 1.43 8.00 -0.89 -0.59 116.55 126.45 1qa7 n ASP 36 Ca -0.16 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1qa7 n ASP 36 Cb 0.57 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.88 1qa7 n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1qa7 n ASP 37 N 7.22 2.86 -4.76 -2.24 5.68 -1.26 -0.50 116.55 123.54 1qa7 n ASP 37 Ca 0.00 -3.59 -0.32 0.00 -0.50 0.00 0.00 54.79 50.38 1qa7 n ASP 37 Cb 0.00 -0.62 -0.07 0.00 -1.14 0.00 0.00 41.12 39.28 1qa7 n ASP 37 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1qa7 s TRP 38 N -3.15 3.21 0.05 2.11 0.52 0.25 -0.73 118.94 121.20 1qa7 s TRP 38 Ca 0.45 0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.68 1qa7 s TRP 38 Cb 0.39 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1qa7 s TRP 38 CO 0.02 0.53 -0.00 -0.51 0.02 0.00 0.00 176.95 177.01 1qa7 s LEU 39 N -1.95 2.32 -0.18 2.99 1.02 0.16 -1.83 118.68 121.21 1qa7 s LEU 39 Ca 0.25 -0.87 -0.09 0.00 0.02 0.00 0.00 54.13 53.43 1qa7 s LEU 39 Cb -0.12 0.29 -0.05 0.00 0.02 0.00 0.00 46.19 46.33 1qa7 s LEU 39 CO 0.16 -0.57 0.13 -0.76 0.02 0.00 0.00 176.35 175.33 1qa7 s LEU 40 N -2.67 4.22 -0.02 1.79 1.43 -0.32 -0.52 118.68 122.60 1qa7 s LEU 40 Ca 0.03 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1qa7 s LEU 40 Cb 0.05 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1qa7 s LEU 40 CO -0.09 0.24 -0.01 -0.69 0.23 0.00 0.00 176.35 176.03 1qa7 s VAL 41 N -0.00 0.17 0.24 -1.59 1.01 -0.53 -2.01 120.40 117.69 1qa7 s VAL 41 Ca 0.10 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1qa7 s VAL 41 Cb -0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 1qa7 s VAL 41 CO -0.00 0.10 1.24 -2.84 0.00 0.00 0.00 175.10 173.60 1qa7 s PRO 42 N 0.53 4.46 0.38 2.72 0.02 -1.26 -1.59 135.00 140.25 1qa7 s PRO 42 Ca -0.05 2.00 0.15 0.00 0.02 0.00 0.00 61.00 63.12 1qa7 s PRO 42 Cb -0.08 -3.18 0.76 0.00 0.02 0.00 0.00 34.50 32.02 1qa7 s PRO 42 CO -0.01 -0.10 1.81 0.66 -0.33 0.00 0.00 177.00 179.03 1qa7 h SER 43 N 4.58 0.00 0.03 2.53 4.64 -0.88 -2.08 113.55 122.38 1qa7 h SER 43 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1qa7 h SER 43 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qa7 h SER 43 CO 0.72 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 177.05 1qa7 n HIS 44 N -3.92 0.00 -0.21 4.77 1.44 -1.26 -0.53 115.22 115.51 1qa7 n HIS 44 Ca -0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 1qa7 n HIS 44 Cb 0.43 -0.08 0.03 0.00 0.12 0.00 0.00 29.99 30.49 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 2.34 0.84 0.00 1.59 0.00 -1.75 -3.39 119.26 118.89 1qa7 h ALA 45 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qa7 h ALA 45 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1qa7 h ALA 45 CO 0.00 0.67 -0.59 2.48 0.00 0.00 0.00 179.25 181.81 1qa7 n TYR 46 N -4.18 0.00 -0.26 0.00 0.18 0.31 -4.84 117.16 108.37 1qa7 n TYR 46 Ca 0.03 0.00 0.22 0.00 1.88 0.00 0.00 57.90 60.03 1qa7 n TYR 46 Cb 0.35 0.00 0.55 0.00 -0.38 0.00 0.00 39.34 39.86 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 0.32 -0.69 -3.48 1.57 -1.25 -2.03 116.57 111.00 1qa7 h LYS 47 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1qa7 h LYS 47 Cb 0.00 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 1qa7 h LYS 47 CO 0.00 0.21 0.15 1.19 -0.57 0.00 0.00 179.45 180.43 1qa7 n PHE 48 N -4.49 2.25 -1.93 -1.35 3.72 -1.26 -4.95 117.46 109.45 1qa7 n PHE 48 Ca 0.21 -0.96 -0.32 0.00 -0.05 0.00 0.00 57.45 56.33 1qa7 n PHE 48 Cb 0.81 -0.60 0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 -2.83 3.33 0.30 -1.08 0.41 -0.77 -4.97 118.70 113.10 1qa7 s GLU 49 Ca 0.53 1.03 0.06 0.00 -0.41 0.00 0.00 54.97 56.19 1qa7 s GLU 49 Cb 0.42 -2.04 0.48 0.00 -1.78 0.00 0.00 34.13 31.21 1qa7 s GLU 49 CO 0.14 -0.79 1.72 0.87 -0.49 0.00 0.00 175.26 176.72 1qa7 h LYS 50 N 0.06 0.27 -2.20 1.61 1.57 -1.92 -3.42 116.57 112.52 1qa7 h LYS 50 Ca -0.45 -0.12 -0.33 0.00 -1.87 0.00 0.00 60.65 57.88 1qa7 h LYS 50 Cb 1.21 -0.01 -0.34 0.00 0.08 0.00 0.00 32.23 33.17 1qa7 h LYS 50 CO 0.58 0.60 -0.64 0.34 -0.57 0.00 0.00 179.45 179.77 1qa7 s ASP 51 N -6.87 1.67 0.49 0.86 -1.08 -1.26 -5.01 116.67 105.46 1qa7 s ASP 51 Ca -0.05 -0.69 0.19 0.00 -0.52 0.00 0.00 52.55 51.48 1qa7 s ASP 51 Cb 0.14 0.48 1.21 0.00 -1.46 0.00 0.00 42.92 43.29 1qa7 s ASP 51 CO 0.77 -0.38 2.05 1.88 0.52 0.00 0.00 175.17 180.01 1qa7 h TYR 52 N 8.27 0.00 0.00 -5.34 0.05 -1.96 -2.80 116.97 115.19 1qa7 h TYR 52 Ca -0.14 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.51 1qa7 h TYR 52 Cb 1.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 1qa7 h TYR 52 CO 0.26 0.13 -0.59 0.93 -1.05 0.00 0.00 178.16 177.83 1qa7 h GLU 53 N 0.00 0.00 -0.20 4.88 5.08 -1.99 -3.30 114.58 119.06 1qa7 h GLU 53 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qa7 h GLU 53 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1qa7 h GLU 53 CO 0.02 0.59 0.00 -1.33 -1.00 0.00 0.00 179.01 177.29 1qa7 n MET 54 N -3.44 2.39 -2.26 2.33 2.81 -1.07 -4.85 117.12 113.03 1qa7 n MET 54 Ca 0.00 -2.06 -0.42 0.00 -1.81 0.00 0.00 57.70 53.41 1qa7 n MET 54 Cb 0.69 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 1qa7 n MET 54 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1qa7 s MET 55 N -1.77 4.31 -0.08 0.03 0.00 -1.11 -4.46 119.30 116.23 1qa7 s MET 55 Ca 0.33 1.93 0.01 0.00 0.00 0.00 0.00 55.69 57.96 1qa7 s MET 55 Cb 0.21 -3.48 -0.03 0.00 0.00 0.00 0.00 34.83 31.53 1qa7 s MET 55 CO 0.31 -0.50 -0.07 -2.00 0.00 0.00 0.00 175.02 172.76 1qa7 s GLU 56 N 1.98 2.83 -0.06 4.11 2.56 -0.11 -1.41 118.70 128.60 1qa7 s GLU 56 Ca 0.63 -0.56 -0.02 0.00 0.00 0.00 0.00 54.97 55.01 1qa7 s GLU 56 Cb -0.32 -2.61 -0.04 0.00 2.00 0.00 0.00 34.13 33.17 1qa7 s GLU 56 CO 0.27 0.61 0.06 -0.06 -0.56 0.00 0.00 175.26 175.58 1qa7 s PHE 57 N -0.66 3.31 0.05 5.30 0.08 0.62 0.97 117.98 127.64 1qa7 s PHE 57 Ca 0.10 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1qa7 s PHE 57 Cb -0.11 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1qa7 s PHE 57 CO 0.02 0.56 -0.16 0.71 -0.10 0.00 0.00 175.22 176.25 1qa7 s TYR 58 N -1.04 1.39 -0.04 0.36 1.51 0.25 -1.05 117.35 118.73 1qa7 s TYR 58 Ca 0.18 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1qa7 s TYR 58 Cb -0.12 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1qa7 s TYR 58 CO 0.07 0.06 0.01 -0.06 -1.11 0.00 0.00 175.55 174.53 1qa7 s PHE 59 N -0.90 0.33 -0.44 2.71 0.40 0.12 -0.35 117.98 119.84 1qa7 s PHE 59 Ca 0.03 0.01 -0.17 0.00 -0.60 0.00 0.00 56.93 56.20 1qa7 s PHE 59 Cb -0.08 -0.48 0.04 0.00 0.51 0.00 0.00 43.02 43.01 1qa7 s PHE 59 CO 0.02 -0.17 0.44 1.21 0.70 0.00 0.00 175.22 177.42 1qa7 s ASN 60 N 1.34 6.18 -0.35 1.36 2.47 -0.56 -1.12 114.94 124.25 1qa7 s ASN 60 Ca -0.05 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.37 1qa7 s ASN 60 Cb -0.13 -2.22 0.10 0.00 -1.45 0.00 0.00 41.25 37.56 1qa7 s ASN 60 CO -0.02 -0.63 0.07 -0.60 -3.72 0.00 0.00 177.10 172.20 1qa7 s ARG 61 N 2.04 1.43 -0.98 0.43 6.06 -0.51 -2.46 118.95 124.95 1qa7 s ARG 61 Ca 0.10 -1.84 0.00 0.00 -2.50 0.00 0.00 55.73 51.48 1qa7 s ARG 61 Cb -0.19 -3.06 0.00 0.00 0.06 0.00 0.00 34.95 31.75 1qa7 s ARG 61 CO 0.11 -0.96 0.00 0.41 -2.50 0.00 0.00 175.30 172.36 1qa7 n GLY 62 N 4.22 0.86 1.07 8.12 0.00 -1.26 -2.57 105.19 115.64 1qa7 n GLY 62 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.62 0.75 3.44 -0.02 0.00 -1.26 -5.05 105.19 101.43 1qa7 n GLY 63 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.11 2.83 -0.25 2.61 2.01 -1.06 -5.10 115.64 114.57 1qa7 s THR 64 Ca 0.00 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1qa7 s THR 64 Cb 0.00 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1qa7 s THR 64 CO 0.00 0.57 0.43 -0.31 -0.69 0.00 0.00 174.62 174.62 1qa7 s TYR 65 N -0.72 3.28 0.03 4.92 2.02 -1.26 -1.43 117.35 124.20 1qa7 s TYR 65 Ca 0.11 0.54 0.05 0.00 -0.37 0.00 0.00 57.07 57.41 1qa7 s TYR 65 Cb -0.10 -2.61 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 1qa7 s TYR 65 CO 0.00 -0.20 -0.12 0.71 -1.57 0.00 0.00 175.55 174.38 1qa7 s TYR 66 N 1.97 2.72 0.34 2.71 2.02 -0.28 -4.97 117.35 121.87 1qa7 s TYR 66 Ca 0.18 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1qa7 s TYR 66 Cb -0.15 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 1qa7 s TYR 66 CO 0.09 0.32 0.10 -1.54 -1.57 0.00 0.00 175.55 172.95 1qa7 s SER 67 N -1.52 2.26 -0.25 2.29 1.04 -1.26 -0.70 113.70 115.56 1qa7 s SER 67 Ca 0.16 -1.50 -0.26 0.00 0.48 0.00 0.00 55.95 54.83 1qa7 s SER 67 Cb -0.11 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.35 1qa7 s SER 67 CO 0.07 -0.77 1.01 -0.51 0.98 0.00 0.00 173.24 174.02 1qa7 s ILE 68 N -3.37 0.00 0.19 -1.02 2.07 -0.22 -4.83 121.20 114.02 1qa7 s ILE 68 Ca 0.32 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.26 1qa7 s ILE 68 Cb 0.06 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.57 1qa7 s ILE 68 CO 0.15 0.00 1.28 -0.55 -1.91 0.00 0.00 174.94 173.91 1qa7 s SER 69 N -0.06 6.95 0.59 4.50 0.15 -1.26 -0.28 113.70 124.29 1qa7 s SER 69 Ca 0.02 2.34 0.29 0.00 0.70 0.00 0.00 55.95 59.30 1qa7 s SER 69 Cb -0.04 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 63.03 1qa7 s SER 69 CO -0.04 -0.49 1.75 0.00 1.20 0.00 0.00 173.24 175.67 1qa7 h ALA 70 N 5.43 2.46 0.00 5.45 0.00 -1.55 0.26 119.26 131.31 1qa7 h ALA 70 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qa7 h ALA 70 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qa7 h ALA 70 CO 0.77 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 179.39 1qa7 n GLY 71 N -1.58 -1.56 0.64 0.00 0.00 -1.26 -3.54 105.19 97.89 1qa7 n GLY 71 Ca 0.14 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.11 3.11 -4.98 1.61 5.03 0.91 -4.99 115.26 113.85 1qa7 n ASN 72 Ca 0.05 -2.34 -0.19 0.00 0.87 0.00 0.00 54.58 52.98 1qa7 n ASN 72 Cb 0.36 -0.31 0.01 0.00 -1.02 0.00 0.00 39.78 38.83 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 -1.60 2.69 -0.13 2.41 -7.23 -1.23 -4.85 120.40 110.45 1qa7 s VAL 73 Ca 0.27 -1.09 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1qa7 s VAL 73 Cb 0.18 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1qa7 s VAL 73 CO 0.12 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.09 1qa7 s VAL 74 N -2.46 3.09 -0.21 1.32 1.01 -1.15 -4.93 120.40 117.07 1qa7 s VAL 74 Ca 0.54 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1qa7 s VAL 74 Cb -0.07 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1qa7 s VAL 74 CO 0.33 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 175.24 1qa7 s ILE 75 N 0.31 3.02 0.10 2.22 -1.09 -1.26 -0.41 121.20 124.08 1qa7 s ILE 75 Ca -0.10 -0.62 0.10 0.00 -2.23 0.00 0.00 60.65 57.81 1qa7 s ILE 75 Cb -0.16 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1qa7 s ILE 75 CO 0.05 0.45 -0.27 -1.58 -1.23 0.00 0.00 174.94 172.37 1qa7 s GLN 76 N 1.43 1.54 0.70 2.79 0.74 -0.24 -5.00 119.66 121.63 1qa7 s GLN 76 Ca 0.06 -1.27 -0.06 0.00 0.05 0.00 0.00 55.36 54.14 1qa7 s GLN 76 Cb -0.14 -1.93 0.06 0.00 1.10 0.00 0.00 33.01 32.11 1qa7 s GLN 76 CO -0.06 0.47 1.01 -1.12 -0.55 0.00 0.00 175.29 175.04 1qa7 s SER 77 N -1.77 4.78 -0.08 6.67 0.01 -1.26 -1.24 113.70 120.80 1qa7 s SER 77 Ca 0.13 0.41 0.13 0.00 1.31 0.00 0.00 55.95 57.93 1qa7 s SER 77 Cb -0.10 -1.05 -0.19 0.00 0.21 0.00 0.00 66.02 64.89 1qa7 s SER 77 CO 0.05 -1.61 0.16 0.18 0.41 0.00 0.00 173.24 172.42 1qa7 n LEU 78 N -2.91 0.00 -3.77 2.44 4.77 -1.26 -4.73 117.00 111.54 1qa7 n LEU 78 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1qa7 n LEU 78 Cb 0.60 0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1qa7 n LEU 78 CO 0.51 0.19 0.89 -0.62 -1.33 0.00 0.00 177.39 177.03 1qa7 s ASP 79 N -4.20 -0.08 0.48 -1.43 2.15 -1.26 -4.86 116.67 107.48 1qa7 s ASP 79 Ca -0.06 -0.37 -0.19 0.00 0.43 0.00 0.00 52.55 52.36 1qa7 s ASP 79 Cb 0.06 0.36 -0.09 0.00 -0.30 0.00 0.00 42.92 42.95 1qa7 s ASP 79 CO 0.56 -0.68 0.99 0.68 -0.17 0.00 0.00 175.17 176.55 1qa7 s VAL 80 N -2.61 4.22 0.00 1.11 -7.23 -1.26 -4.91 120.40 109.72 1qa7 s VAL 80 Ca 0.17 1.27 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 1qa7 s VAL 80 Cb 0.00 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1qa7 s VAL 80 CO 0.01 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1qa7 n GLY 81 N -0.82 -0.70 3.67 2.32 0.00 -1.26 -5.01 105.19 103.39 1qa7 n GLY 81 Ca 0.08 -2.26 -0.45 0.00 0.00 0.00 0.00 46.02 43.38 1qa7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa7 n ALA 82 N -0.43 1.09 -2.69 4.61 0.00 -1.26 -4.88 120.51 116.94 1qa7 n ALA 82 Ca 0.00 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 1qa7 n ALA 82 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 1qa7 n ALA 82 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qa7 s GLN 83 N -0.04 4.27 -0.00 0.00 -1.52 -1.26 -4.92 119.66 116.19 1qa7 s GLN 83 Ca 0.71 0.54 -0.00 0.00 -1.95 0.00 0.00 55.36 54.67 1qa7 s GLN 83 Cb -0.67 -3.52 -0.00 0.00 -0.22 0.00 0.00 33.01 28.60 1qa7 s GLN 83 CO 0.46 -0.06 -0.00 -0.44 -0.25 0.00 0.00 175.29 175.00 1qa7 h ASP 84 N 7.17 0.00 -4.14 5.90 3.32 -1.91 -3.44 116.42 123.32 1qa7 h ASP 84 Ca -0.36 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.02 1qa7 h ASP 84 Cb 1.16 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.47 1qa7 h ASP 84 CO 0.76 0.01 -0.87 0.68 -1.72 0.00 0.00 179.24 178.10 1qa7 s VAL 85 N -1.02 2.09 0.33 -1.35 -7.23 -1.26 -0.20 120.40 111.75 1qa7 s VAL 85 Ca -0.00 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1qa7 s VAL 85 Cb 0.00 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 1qa7 s VAL 85 CO 0.00 0.20 0.06 0.68 -0.31 0.00 0.00 175.10 175.74 1qa7 s VAL 86 N -0.93 1.15 -0.07 1.32 -7.23 -0.62 -4.42 120.40 109.59 1qa7 s VAL 86 Ca 0.12 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 1qa7 s VAL 86 Cb -0.10 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1qa7 s VAL 86 CO 0.04 0.00 0.32 -0.76 -0.31 0.00 0.00 175.10 174.39 1qa7 s LEU 87 N -3.49 4.40 -0.03 1.32 1.43 -0.37 -1.46 118.68 120.48 1qa7 s LEU 87 Ca 0.36 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1qa7 s LEU 87 Cb 0.08 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1qa7 s LEU 87 CO 0.15 0.28 -0.01 -0.32 0.23 0.00 0.00 176.35 176.69 1qa7 s MET 88 N -0.67 0.43 -0.25 1.70 1.75 0.33 -1.08 119.30 121.51 1qa7 s MET 88 Ca 0.20 0.04 -0.12 0.00 -1.25 0.00 0.00 55.69 54.56 1qa7 s MET 88 Cb -0.15 -0.59 -0.05 0.00 2.84 0.00 0.00 34.83 36.89 1qa7 s MET 88 CO 0.09 -0.13 0.23 0.21 -0.65 0.00 0.00 175.02 174.77 1qa7 s LYS 89 N 1.06 4.04 -0.36 4.11 2.20 0.45 -0.66 119.74 130.57 1qa7 s LYS 89 Ca -0.09 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1qa7 s LYS 89 Cb -0.14 -3.60 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 1qa7 s LYS 89 CO -0.01 -0.08 0.15 0.08 -0.36 0.00 0.00 175.35 175.12 1qa7 s VAL 90 N 1.47 1.17 0.24 4.02 1.01 0.09 -2.92 120.40 125.48 1qa7 s VAL 90 Ca 0.10 -1.91 0.27 0.00 0.00 0.00 0.00 61.98 60.44 1qa7 s VAL 90 Cb -0.15 -1.86 0.28 0.00 0.00 0.00 0.00 36.38 34.65 1qa7 s VAL 90 CO 0.08 -0.76 1.94 -0.65 0.00 0.00 0.00 175.10 175.71 1qa7 h PRO 91 N 7.52 0.00 0.00 2.72 0.11 -1.89 -2.12 132.00 138.34 1qa7 h PRO 91 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1qa7 h PRO 91 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1qa7 h PRO 91 CO 0.47 0.16 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 1qa7 n THR 92 N -3.42 0.55 -2.66 -1.15 -2.24 -1.26 -4.81 114.28 99.29 1qa7 n THR 92 Ca -0.01 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1qa7 n THR 92 Cb 0.34 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1qa7 n THR 92 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1qa7 s ILE 93 N -3.11 4.38 0.20 2.28 1.10 -0.80 -4.98 121.20 120.27 1qa7 s ILE 93 Ca 0.10 1.93 -0.33 0.00 -0.51 0.00 0.00 60.65 61.84 1qa7 s ILE 93 Cb 0.13 -4.23 -0.13 0.00 0.15 0.00 0.00 42.46 38.38 1qa7 s ILE 93 CO 0.49 0.27 1.61 -2.65 -2.11 0.00 0.00 174.94 172.55 1qa7 n PRO 94 N 2.93 2.38 -1.51 3.50 -0.02 -1.26 -4.85 135.00 136.17 1qa7 n PRO 94 Ca 0.03 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 1qa7 n PRO 94 Cb 0.49 -2.64 0.09 0.00 -0.02 0.00 0.00 33.50 31.41 1qa7 n PRO 94 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qa7 s LYS 95 N 0.72 2.23 0.06 -0.52 -0.14 -1.26 -4.94 119.74 115.89 1qa7 s LYS 95 Ca 0.75 1.90 0.02 0.00 -1.36 0.00 0.00 55.97 57.28 1qa7 s LYS 95 Cb -0.61 -1.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1qa7 s LYS 95 CO 0.38 -1.81 0.13 -0.06 -0.76 0.00 0.00 175.35 173.23 1qa7 s PHE 96 N -1.74 3.32 0.69 3.18 0.08 0.34 -4.93 117.98 118.93 1qa7 s PHE 96 Ca 0.78 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.82 1qa7 s PHE 96 Cb -0.33 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1qa7 s PHE 96 CO 0.44 0.55 1.27 -2.13 -0.10 0.00 0.00 175.22 175.25 1qa7 n ARG 97 N 0.47 0.85 -2.72 0.44 0.63 -1.26 -2.10 116.66 112.98 1qa7 n ARG 97 Ca -0.08 0.35 -0.43 0.00 -0.92 0.00 0.00 57.85 56.78 1qa7 n ARG 97 Cb 0.51 -2.51 -0.03 0.00 0.45 0.00 0.00 32.46 30.89 1qa7 n ARG 97 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1qa7 s ASP 98 N -1.59 7.02 -0.02 6.15 -1.08 -1.26 -4.11 116.67 121.78 1qa7 s ASP 98 Ca 0.80 1.26 0.03 0.00 -0.52 0.00 0.00 52.55 54.12 1qa7 s ASP 98 Cb -0.36 -2.51 0.04 0.00 -1.46 0.00 0.00 42.92 38.63 1qa7 s ASP 98 CO 0.43 -0.65 0.86 2.30 0.52 0.00 0.00 175.17 178.63 1qa7 n ILE 99 N 5.36 0.68 -0.05 4.11 -5.35 -0.44 -4.75 119.36 118.92 1qa7 n ILE 99 Ca 0.10 -0.74 0.08 0.00 -0.27 0.00 0.00 62.75 61.93 1qa7 n ILE 99 Cb 0.46 0.55 0.46 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.88 1.00 0.00 7.28 1.35 -1.88 -1.13 112.91 121.40 1qa7 h THR 100 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1qa7 h THR 100 Cb 0.85 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1qa7 h THR 100 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 1qa7 n GLN 101 N -4.47 0.07 0.02 4.72 1.13 -1.26 -2.37 117.38 115.21 1qa7 n GLN 101 Ca 0.07 0.09 0.12 0.00 -1.94 0.00 0.00 57.00 55.34 1qa7 n GLN 101 Cb 0.22 -1.50 0.28 0.00 0.11 0.00 0.00 30.24 29.35 1qa7 n GLN 101 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1qa7 n HIS 102 N -1.46 0.18 -2.31 1.08 8.25 -0.43 -4.88 115.22 115.65 1qa7 n HIS 102 Ca 0.07 0.05 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1qa7 n HIS 102 Cb 0.26 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 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 -3.05 2.85 0.41 4.41 0.40 -1.00 -1.40 117.98 120.59 1qa7 s PHE 103 Ca 0.10 1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 57.73 1qa7 s PHE 103 Cb 0.16 -3.15 -0.08 0.00 0.51 0.00 0.00 43.02 40.46 1qa7 s PHE 103 CO 0.68 -1.21 1.18 -1.50 0.70 0.00 0.00 175.22 175.08 1qa7 s ILE 104 N -1.99 3.08 0.22 0.64 2.07 0.43 -4.41 121.20 121.24 1qa7 s ILE 104 Ca 0.69 0.90 -0.28 0.00 -1.41 0.00 0.00 60.65 60.54 1qa7 s ILE 104 Cb -0.19 -3.50 -0.09 0.00 0.13 0.00 0.00 42.46 38.81 1qa7 s ILE 104 CO 0.26 0.07 0.89 -0.54 -1.91 0.00 0.00 174.94 173.72 1qa7 s LYS 105 N -2.35 4.76 0.56 3.50 1.02 -1.26 -0.06 119.74 125.90 1qa7 s LYS 105 Ca 0.58 1.38 0.27 0.00 0.02 0.00 0.00 55.97 58.22 1qa7 s LYS 105 Cb -0.31 -3.25 1.47 0.00 -0.52 0.00 0.00 37.83 35.22 1qa7 s LYS 105 CO 0.39 0.52 1.99 -0.22 -0.92 0.00 0.00 175.35 177.11 1qa7 h LYS 106 N 4.15 0.00 0.00 1.68 3.64 -1.95 0.27 116.57 124.36 1qa7 h LYS 106 Ca -0.46 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.82 1qa7 h LYS 106 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1qa7 h LYS 106 CO 0.67 0.00 -0.50 0.78 -2.27 0.00 0.00 179.45 178.13 1qa7 h GLY 107 N 0.00 0.00 0.67 5.01 0.00 -2.03 -3.06 103.07 103.65 1qa7 h GLY 107 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1qa7 h GLY 107 CO -0.00 0.00 -0.29 1.22 0.00 0.00 0.00 176.54 177.47 1qa7 n ASP 108 N -3.69 0.72 -0.32 0.19 8.00 0.93 -4.49 116.55 117.89 1qa7 n ASP 108 Ca -0.01 -0.58 0.29 0.00 0.71 0.00 0.00 54.79 55.21 1qa7 n ASP 108 Cb 0.56 0.10 0.54 0.00 -0.02 0.00 0.00 41.12 42.31 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 0.68 0.04 0.00 2.53 2.07 -1.41 0.85 116.25 121.00 1qa7 h VAL 109 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1qa7 h VAL 109 Cb 0.48 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1qa7 h VAL 109 CO 0.00 0.01 0.00 -0.65 0.02 0.00 0.00 177.57 176.95 1qa7 h PRO 110 N 0.04 0.00 0.00 1.57 0.11 -1.85 -2.47 132.00 129.41 1qa7 h PRO 110 Ca 0.80 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.91 1qa7 h PRO 110 Cb 2.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.16 1qa7 h PRO 110 CO -0.77 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.56 1qa7 n ARG 111 N -2.66 0.16 0.00 1.05 1.74 0.29 -3.01 116.66 114.23 1qa7 n ARG 111 Ca 0.01 0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.24 1qa7 n ARG 111 Cb 0.26 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.15 1qa7 n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qa7 n ALA 112 N -1.40 3.44 -1.78 7.54 0.00 -0.93 -4.86 120.51 122.52 1qa7 n ALA 112 Ca 0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 1qa7 n ALA 112 Cb 0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.42 3.78 -2.14 0.00 1.43 -1.16 -3.57 118.68 114.60 1qa7 s LEU 113 Ca 0.06 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1qa7 s LEU 113 Cb 0.09 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1qa7 s LEU 113 CO 0.45 -1.08 0.00 0.59 0.23 0.00 0.00 176.35 176.54 1qa7 n ASN 114 N -1.20 -5.41 -4.36 2.29 3.02 -0.10 -4.85 115.26 104.64 1qa7 n ASN 114 Ca 0.11 0.47 -0.18 0.00 -0.03 0.00 0.00 54.58 54.94 1qa7 n ASN 114 Cb 0.51 -4.77 -0.10 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.83 1.42 0.68 3.52 0.52 -1.23 -4.71 118.95 115.32 1qa7 s ARG 115 Ca 0.00 -1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 53.37 1qa7 s ARG 115 Cb 0.00 -0.73 0.01 0.00 0.52 0.00 0.00 34.95 34.74 1qa7 s ARG 115 CO 0.00 -0.09 1.07 -0.51 0.02 0.00 0.00 175.30 175.79 1qa7 s LEU 116 N -3.36 2.97 0.11 2.53 1.43 -1.26 -1.33 118.68 119.77 1qa7 s LEU 116 Ca 0.30 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 1qa7 s LEU 116 Cb 0.06 -3.97 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1qa7 s LEU 116 CO 0.10 -1.25 0.28 0.00 0.23 0.00 0.00 176.35 175.71 1qa7 s ALA 117 N -3.31 -0.49 -0.10 4.21 0.00 -0.47 -1.08 121.76 120.52 1qa7 s ALA 117 Ca 0.57 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1qa7 s ALA 117 Cb -0.11 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1qa7 s ALA 117 CO 0.52 -0.57 -0.21 0.99 0.00 0.00 0.00 175.76 176.49 1qa7 s THR 118 N -3.84 1.86 -0.27 0.00 2.01 -0.34 -0.79 115.64 114.27 1qa7 s THR 118 Ca 0.05 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.96 1qa7 s THR 118 Cb 0.04 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1qa7 s THR 118 CO -0.11 0.51 0.59 -0.22 -0.69 0.00 0.00 174.62 174.71 1qa7 s LEU 119 N 0.53 4.08 -0.53 4.42 2.96 0.26 -0.06 118.68 130.34 1qa7 s LEU 119 Ca -0.15 0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 54.17 1qa7 s LEU 119 Cb -0.17 -2.78 0.12 0.00 0.50 0.00 0.00 46.19 43.86 1qa7 s LEU 119 CO 0.05 -0.37 0.49 -0.69 -1.32 0.00 0.00 176.35 174.51 1qa7 s VAL 120 N 2.47 5.18 0.00 1.68 1.01 0.11 -0.51 120.40 130.35 1qa7 s VAL 120 Ca 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1qa7 s VAL 120 Cb -0.15 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1qa7 s VAL 120 CO 0.10 -0.84 0.00 0.41 0.00 0.00 0.00 175.10 174.76 1qa7 n THR 121 N 5.24 0.00 -3.15 3.92 -1.04 -0.57 -1.74 114.28 116.93 1qa7 n THR 121 Ca -0.14 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.92 1qa7 n THR 121 Cb 0.40 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 1qa7 n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1qa7 s THR 122 N 0.20 -0.82 -0.38 12.58 2.01 -1.26 -1.45 115.64 126.53 1qa7 s THR 122 Ca 0.00 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 1qa7 s THR 122 Cb 0.00 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1qa7 s THR 122 CO 0.00 0.00 1.03 -0.69 -0.69 0.00 0.00 174.62 174.27 1qa7 s VAL 123 N 2.87 4.47 -1.20 3.82 1.01 0.49 -3.61 120.40 128.25 1qa7 s VAL 123 Ca 0.15 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1qa7 s VAL 123 Cb -0.11 -4.43 0.11 0.00 0.00 0.00 0.00 36.38 31.95 1qa7 s VAL 123 CO -0.22 -0.64 0.42 -3.20 0.00 0.00 0.00 175.10 171.47 1qa7 n ASN 124 N 7.07 -2.54 0.00 3.32 5.15 -1.26 0.26 115.26 127.26 1qa7 n ASN 124 Ca 0.10 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1qa7 n ASN 124 Cb 0.48 -2.16 0.00 0.00 -0.53 0.00 0.00 39.78 37.57 1qa7 n ASN 124 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qa7 n GLY 125 N -1.00 3.02 3.58 8.20 0.00 -1.24 -5.00 105.19 112.76 1qa7 n GLY 125 Ca 0.03 0.00 -0.42 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 -2.82 3.84 0.37 2.61 2.01 0.74 -4.98 115.64 117.41 1qa7 s THR 126 Ca 0.00 0.78 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 1qa7 s THR 126 Cb 0.00 -4.36 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1qa7 s THR 126 CO 0.00 -1.02 1.41 -2.16 -0.69 0.00 0.00 174.62 172.16 1qa7 s PRO 127 N 5.28 4.13 0.06 4.92 0.05 -1.26 0.18 135.00 148.36 1qa7 s PRO 127 Ca 0.55 2.42 -0.14 0.00 0.05 0.00 0.00 61.00 63.88 1qa7 s PRO 127 Cb -0.11 -2.95 0.02 0.00 0.05 0.00 0.00 34.50 31.51 1qa7 s PRO 127 CO 0.28 -0.46 0.32 -1.64 0.05 0.00 0.00 177.00 175.56 1qa7 s MET 128 N -2.05 0.87 -0.10 4.56 -1.94 -0.52 -4.84 119.30 115.27 1qa7 s MET 128 Ca 0.53 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1qa7 s MET 128 Cb -0.44 0.38 -0.01 0.00 2.01 0.00 0.00 34.83 36.77 1qa7 s MET 128 CO 0.58 -0.29 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.60 1qa7 s LEU 129 N -2.22 2.39 -0.23 -0.03 1.43 -1.26 -1.51 118.68 117.25 1qa7 s LEU 129 Ca -0.03 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1qa7 s LEU 129 Cb 0.00 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.78 1qa7 s LEU 129 CO -0.05 0.20 -0.09 -0.63 0.23 0.00 0.00 176.35 176.01 1qa7 s ILE 130 N 0.11 1.77 0.41 -0.59 -1.09 0.34 -4.92 121.20 117.22 1qa7 s ILE 130 Ca -0.09 -1.25 -0.25 0.00 -2.23 0.00 0.00 60.65 56.83 1qa7 s ILE 130 Cb -0.15 -1.91 -0.08 0.00 -1.58 0.00 0.00 42.46 38.74 1qa7 s ILE 130 CO 0.06 0.04 1.18 -0.55 -1.23 0.00 0.00 174.94 174.44 1qa7 s SER 131 N 1.31 6.46 0.19 3.58 0.15 -1.26 0.93 113.70 125.05 1qa7 s SER 131 Ca -0.05 2.37 -0.14 0.00 0.70 0.00 0.00 55.95 58.84 1qa7 s SER 131 Cb -0.18 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1qa7 s SER 131 CO -0.07 -0.72 0.43 -1.83 1.20 0.00 0.00 173.24 172.24 1qa7 s GLU 132 N -2.34 1.31 0.00 5.44 -1.05 0.03 -4.39 118.70 117.70 1qa7 s GLU 132 Ca 0.58 -1.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 1qa7 s GLU 132 Cb -0.31 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1qa7 s GLU 132 CO 0.39 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.48 1qa7 n GLY 133 N -0.29 -1.84 3.74 -3.83 0.00 -1.01 -1.36 105.19 100.59 1qa7 n GLY 133 Ca -0.08 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1qa7 n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qa7 n PRO 134 N -0.19 2.37 -2.46 1.61 -0.02 -1.26 -4.26 135.00 130.79 1qa7 n PRO 134 Ca 0.00 0.83 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 1qa7 n PRO 134 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 1qa7 n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qa7 s LEU 135 N -1.68 4.37 0.21 2.45 1.43 -0.44 -4.62 118.68 120.41 1qa7 s LEU 135 Ca 0.55 2.23 0.11 0.00 -1.03 0.00 0.00 54.13 55.99 1qa7 s LEU 135 Cb -0.51 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 1qa7 s LEU 135 CO 0.62 -0.34 -0.22 -0.75 0.23 0.00 0.00 176.35 175.90 1qa7 s LYS 136 N -1.89 1.60 -0.13 1.70 2.20 0.11 -0.92 119.74 122.40 1qa7 s LYS 136 Ca 0.50 -1.56 0.01 0.00 -0.36 0.00 0.00 55.97 54.56 1qa7 s LYS 136 Cb -0.29 -1.86 -0.01 0.00 -1.51 0.00 0.00 37.83 34.16 1qa7 s LYS 136 CO 0.37 0.39 -0.15 1.41 -0.36 0.00 0.00 175.35 177.01 1qa7 s MET 137 N -2.86 3.28 -0.09 4.03 -2.45 -1.26 0.49 119.30 120.44 1qa7 s MET 137 Ca 0.23 -0.73 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 1qa7 s MET 137 Cb -0.07 -2.58 -0.03 0.00 1.25 0.00 0.00 34.83 33.40 1qa7 s MET 137 CO 0.11 0.14 -0.07 -1.21 1.05 0.00 0.00 175.02 175.05 1qa7 s GLU 138 N 0.51 3.02 0.14 4.11 0.41 0.14 -4.97 118.70 122.04 1qa7 s GLU 138 Ca -0.10 -0.56 -0.01 0.00 -0.41 0.00 0.00 54.97 53.88 1qa7 s GLU 138 Cb -0.16 -2.66 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 1qa7 s GLU 138 CO 0.04 0.52 1.31 0.93 -0.49 0.00 0.00 175.26 177.57 1qa7 h GLU 139 N 5.73 0.29 -4.42 1.61 4.39 -1.91 -0.85 114.58 119.43 1qa7 h GLU 139 Ca -0.42 -0.34 -0.46 0.00 0.34 0.00 0.00 59.36 58.47 1qa7 h GLU 139 Cb 1.18 0.10 -0.33 0.00 -0.10 0.00 0.00 28.75 29.61 1qa7 h GLU 139 CO 0.55 1.06 -0.80 0.15 -1.16 0.00 0.00 179.01 178.81 1qa7 s LYS 140 N -3.14 1.28 -0.02 2.33 -0.14 -1.26 -0.14 119.74 118.63 1qa7 s LYS 140 Ca -0.04 -0.30 0.03 0.00 -1.36 0.00 0.00 55.97 54.29 1qa7 s LYS 140 Cb 0.09 -1.12 0.00 0.00 -1.68 0.00 0.00 37.83 35.12 1qa7 s LYS 140 CO 0.85 0.02 -0.10 0.00 -0.76 0.00 0.00 175.35 175.37 1qa7 s ALA 141 N 0.62 0.90 -0.02 5.17 0.00 0.81 -4.96 121.76 124.27 1qa7 s ALA 141 Ca -0.11 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1qa7 s ALA 141 Cb -0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1qa7 s ALA 141 CO 0.02 0.16 -0.23 0.99 0.00 0.00 0.00 175.76 176.69 1qa7 s THR 142 N 0.13 2.29 0.29 0.00 2.01 -1.26 0.06 115.64 119.16 1qa7 s THR 142 Ca -0.02 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 60.99 1qa7 s THR 142 Cb -0.08 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1qa7 s THR 142 CO 0.00 0.56 0.25 0.00 -0.69 0.00 0.00 174.62 174.74 1qa7 n TYR 143 N 2.34 -0.69 -4.30 4.92 4.11 0.73 -4.97 117.16 119.30 1qa7 n TYR 143 Ca -0.16 -2.44 -0.33 0.00 -0.00 0.00 0.00 57.90 54.96 1qa7 n TYR 143 Cb 0.51 0.25 -0.15 0.00 -0.00 0.00 0.00 39.34 39.95 1qa7 n TYR 143 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1qa7 s VAL 144 N -3.18 2.55 -0.22 -3.48 1.01 -1.26 0.48 120.40 116.30 1qa7 s VAL 144 Ca 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1qa7 s VAL 144 Cb 0.02 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1qa7 s VAL 144 CO 0.25 0.51 0.13 -2.28 0.00 0.00 0.00 175.10 173.70 1qa7 s HIS 145 N 1.09 3.32 -0.20 5.22 5.04 0.52 -4.92 115.29 125.36 1qa7 s HIS 145 Ca -0.00 0.19 -0.16 0.00 -1.54 0.00 0.00 55.06 53.55 1qa7 s HIS 145 Cb -0.14 -2.20 -0.04 0.00 0.04 0.00 0.00 32.58 30.23 1qa7 s HIS 145 CO -0.05 0.12 0.39 0.15 -2.34 0.00 0.00 174.74 173.01 1qa7 s LYS 146 N 0.77 4.17 0.70 2.88 3.01 -1.26 -1.80 119.74 128.21 1qa7 s LYS 146 Ca 0.07 0.19 -0.08 0.00 -1.01 0.00 0.00 55.97 55.13 1qa7 s LYS 146 Cb -0.13 -3.53 0.05 0.00 -1.01 0.00 0.00 37.83 33.21 1qa7 s LYS 146 CO 0.02 -0.03 1.04 0.21 0.51 0.00 0.00 175.35 177.10 1qa7 s LYS 147 N 1.28 2.42 0.66 1.68 2.47 -0.62 -4.94 119.74 122.69 1qa7 s LYS 147 Ca 0.19 0.01 0.31 0.00 -1.56 0.00 0.00 55.97 54.92 1qa7 s LYS 147 Cb -0.15 -2.12 1.70 0.00 -1.46 0.00 0.00 37.83 35.80 1qa7 s LYS 147 CO 0.08 -1.16 1.96 -0.91 0.16 0.00 0.00 175.35 175.47 1qa7 h ASN 148 N -0.62 0.00 -0.60 1.43 4.21 -1.98 0.31 115.58 118.34 1qa7 h ASN 148 Ca -0.45 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 56.92 1qa7 h ASN 148 Cb 1.29 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.41 1qa7 h ASN 148 CO 0.62 0.00 0.15 -0.90 -1.29 0.00 0.00 177.43 176.02 1qa7 n ASP 149 N -2.90 4.60 0.00 5.81 5.68 -1.26 -4.89 116.55 123.59 1qa7 n ASP 149 Ca -0.02 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.07 1qa7 n ASP 149 Cb 0.35 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1qa7 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qa7 n GLY 150 N -0.20 0.04 3.77 6.12 0.00 0.11 -4.89 105.19 110.14 1qa7 n GLY 150 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1qa7 n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa7 s THR 151 N -1.11 2.24 -0.24 2.61 2.01 -1.25 -4.77 115.64 115.13 1qa7 s THR 151 Ca 0.00 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1qa7 s THR 151 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1qa7 s THR 151 CO 0.00 0.05 0.27 0.42 -0.69 0.00 0.00 174.62 174.67 1qa7 s THR 152 N -1.16 5.27 -0.16 -0.82 -4.23 -1.26 -1.59 115.64 111.69 1qa7 s THR 152 Ca 0.54 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1qa7 s THR 152 Cb -0.44 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 69.82 1qa7 s THR 152 CO 0.58 0.26 -0.14 0.68 -0.54 0.00 0.00 174.62 175.47 1qa7 s VAL 153 N 1.47 1.63 0.05 2.29 -7.23 -0.74 -4.99 120.40 112.87 1qa7 s VAL 153 Ca 0.12 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1qa7 s VAL 153 Cb -0.15 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 1qa7 s VAL 153 CO 0.08 0.43 1.11 -1.81 -0.31 0.00 0.00 175.10 174.59 1qa7 s ASP 154 N 1.46 7.20 0.19 4.85 1.11 -1.26 -0.35 116.67 129.86 1qa7 s ASP 154 Ca 0.04 1.89 0.05 0.00 0.18 0.00 0.00 52.55 54.71 1qa7 s ASP 154 Cb -0.13 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.23 1qa7 s ASP 154 CO -0.11 -0.38 -0.08 -0.76 1.18 0.00 0.00 175.17 175.02 1qa7 s LEU 155 N 0.96 2.45 0.00 1.23 1.43 0.18 -4.93 118.68 119.99 1qa7 s LEU 155 Ca 0.56 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1qa7 s LEU 155 Cb -0.26 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.53 1qa7 s LEU 155 CO 0.29 -0.34 0.00 0.35 0.23 0.00 0.00 176.35 176.88 1qa7 n THR 156 N -0.32 0.00 -3.64 5.49 -2.24 -1.26 -0.19 114.28 112.11 1qa7 n THR 156 Ca -0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1qa7 n THR 156 Cb 0.62 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 1qa7 n THR 156 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qa7 s VAL 157 N 0.16 0.00 -0.17 2.28 1.01 0.11 -4.84 120.40 118.94 1qa7 s VAL 157 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1qa7 s VAL 157 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1qa7 s VAL 157 CO 0.00 0.00 0.12 -1.81 0.00 0.00 0.00 175.10 173.41 1qa7 s ASP 158 N 0.88 6.12 -0.43 3.32 1.11 -1.26 -0.14 116.67 126.27 1qa7 s ASP 158 Ca -0.04 0.26 -0.18 0.00 0.18 0.00 0.00 52.55 52.77 1qa7 s ASP 158 Cb -0.04 -2.04 0.02 0.00 1.07 0.00 0.00 42.92 41.94 1qa7 s ASP 158 CO -0.12 0.24 0.61 0.00 1.18 0.00 0.00 175.17 177.08 1qa7 n GLN 159 N 3.08 -2.33 -4.80 8.23 1.13 0.80 -4.69 117.38 118.80 1qa7 n GLN 159 Ca -0.17 2.05 -0.24 0.00 -1.94 0.00 0.00 57.00 56.69 1qa7 n GLN 159 Cb 0.53 -5.28 -0.15 0.00 0.11 0.00 0.00 30.24 25.44 1qa7 n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qa7 s ALA 160 N -2.49 1.40 0.25 -1.58 0.00 -0.33 -0.85 121.76 118.16 1qa7 s ALA 160 Ca 0.26 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1qa7 s ALA 160 Cb -0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1qa7 s ALA 160 CO 0.78 0.34 0.92 -1.58 0.00 0.00 0.00 175.76 176.22 1qa7 s TRP 161 N -0.36 3.93 -0.07 0.00 0.52 0.77 0.24 118.94 123.97 1qa7 s TRP 161 Ca 0.06 1.86 0.02 0.00 0.02 0.00 0.00 56.10 58.06 1qa7 s TRP 161 Cb -0.07 -2.95 0.01 0.00 -1.15 0.00 0.00 33.47 29.32 1qa7 s TRP 161 CO -0.00 0.42 -0.13 1.03 0.02 0.00 0.00 176.95 178.29 1qa7 s ARG 162 N -1.34 1.84 -0.05 4.98 0.52 0.18 -1.50 118.95 123.58 1qa7 s ARG 162 Ca 0.42 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1qa7 s ARG 162 Cb -0.24 -1.52 0.02 0.00 0.52 0.00 0.00 34.95 33.73 1qa7 s ARG 162 CO 0.30 0.02 0.27 0.20 0.02 0.00 0.00 175.30 176.11 1qa7 s GLY 163 N 0.72 -0.14 0.27 -3.53 0.00 -0.89 0.07 107.32 103.81 1qa7 s GLY 163 Ca -0.13 0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.71 1qa7 s GLY 163 CO 0.03 0.27 1.48 1.17 0.00 0.00 0.00 173.10 176.05 1qa7 n LYS 164 N 1.93 2.31 -3.61 2.90 4.81 -1.26 -0.65 118.16 124.60 1qa7 n LYS 164 Ca -0.18 0.82 -0.04 0.00 -0.87 0.00 0.00 58.31 58.04 1qa7 n LYS 164 Cb 0.57 -2.53 -0.02 0.00 0.02 0.00 0.00 35.03 33.07 1qa7 n LYS 164 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1qa7 s GLY 165 N 0.34 -0.22 -0.34 3.14 0.00 0.19 -2.41 107.32 108.02 1qa7 s GLY 165 Ca 0.66 1.85 -0.29 0.00 0.00 0.00 0.00 44.72 46.94 1qa7 s GLY 165 CO 0.50 0.65 1.53 1.85 0.00 0.00 0.00 173.10 177.63 1qa7 s GLU 166 N -2.10 3.61 -1.17 2.90 2.56 -1.26 -3.68 118.70 119.55 1qa7 s GLU 166 Ca 0.09 1.25 -0.13 0.00 0.00 0.00 0.00 54.97 56.18 1qa7 s GLU 166 Cb -0.01 -4.05 -0.06 0.00 2.00 0.00 0.00 34.13 32.01 1qa7 s GLU 166 CO -0.04 -1.52 2.29 0.41 -0.56 0.00 0.00 175.26 175.83 1qa7 n GLY 167 N 4.98 3.55 3.76 -1.50 0.00 -1.26 -4.93 105.19 109.79 1qa7 n GLY 167 Ca 0.18 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1qa7 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qa7 s LEU 168 N 0.89 3.29 0.45 0.99 1.43 -1.26 -4.87 118.68 119.60 1qa7 s LEU 168 Ca 0.53 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 1qa7 s LEU 168 Cb 0.14 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 1qa7 s LEU 168 CO -0.02 -1.82 0.87 -2.16 0.23 0.00 0.00 176.35 173.45 1qa7 s PRO 169 N -4.27 3.85 0.00 1.29 0.05 -1.26 -4.33 135.00 130.33 1qa7 s PRO 169 Ca 0.66 0.68 0.00 0.00 0.05 0.00 0.00 61.00 62.39 1qa7 s PRO 169 Cb -0.21 -2.28 0.00 0.00 0.05 0.00 0.00 34.50 32.07 1qa7 s PRO 169 CO 0.45 -0.14 0.00 0.41 0.05 0.00 0.00 177.00 177.77 1qa7 n GLY 170 N -1.44 0.26 0.00 0.56 0.00 -1.26 -4.77 105.19 98.55 1qa7 n GLY 170 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1qa7 n GLY 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qa7 n MET 171 N -1.08 0.21 -1.66 1.61 2.81 -1.26 -4.61 117.12 113.14 1qa7 n MET 171 Ca 0.00 0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 1qa7 n MET 171 Cb 0.19 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1qa7 n MET 171 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qa7 n GLY 173 N 0.93 0.80 3.89 0.00 0.00 -0.52 -0.34 105.19 109.95 1qa7 n GLY 173 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.63 1.62 -0.13 -0.02 0.00 -1.04 -4.23 107.32 101.90 1qa7 s GLY 174 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 1qa7 s GLY 174 CO 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 173.10 173.09 1qa7 s ALA 175 N -3.39 3.25 -0.23 3.20 0.00 -0.71 -1.27 121.76 122.61 1qa7 s ALA 175 Ca 0.59 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1qa7 s ALA 175 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1qa7 s ALA 175 CO 0.51 0.38 0.52 -1.17 0.00 0.00 0.00 175.76 176.00 1qa7 s LEU 176 N -0.22 4.10 -0.17 0.00 2.96 -0.82 0.10 118.68 124.63 1qa7 s LEU 176 Ca 0.06 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1qa7 s LEU 176 Cb -0.12 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1qa7 s LEU 176 CO 0.02 -0.23 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.05 1qa7 s VAL 177 N 1.96 3.36 0.37 1.68 1.01 0.91 -0.80 120.40 128.89 1qa7 s VAL 177 Ca 0.23 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1qa7 s VAL 177 Cb -0.15 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.65 1qa7 s VAL 177 CO 0.09 0.48 1.32 -0.55 0.00 0.00 0.00 175.10 176.44 1qa7 s SER 178 N 0.83 6.52 0.35 3.32 0.15 0.40 -1.20 113.70 124.07 1qa7 s SER 178 Ca -0.02 2.70 0.25 0.00 0.70 0.00 0.00 55.95 59.58 1qa7 s SER 178 Cb -0.15 -2.65 0.69 0.00 -1.71 0.00 0.00 66.02 62.20 1qa7 s SER 178 CO 0.01 -0.71 1.72 0.77 1.20 0.00 0.00 173.24 176.23 1qa7 h SER 179 N 3.01 0.00 -2.77 5.45 4.64 -1.45 -3.37 113.55 119.07 1qa7 h SER 179 Ca -0.49 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.26 1qa7 h SER 179 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1qa7 h SER 179 CO 0.64 0.00 1.23 0.21 -0.87 0.00 0.00 176.83 178.04 1qa7 s ASN 180 N -5.32 5.96 0.36 4.97 3.84 -1.26 -4.84 114.94 118.65 1qa7 s ASN 180 Ca 0.08 1.11 0.27 0.00 0.21 0.00 0.00 52.86 54.52 1qa7 s ASN 180 Cb 0.09 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 39.21 1qa7 s ASN 180 CO 0.60 -1.69 1.79 1.56 -2.79 0.00 0.00 177.10 176.57 1qa7 h GLN 181 N 12.47 0.00 0.00 0.43 4.20 -1.94 -0.24 115.11 130.03 1qa7 h GLN 181 Ca -0.32 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.28 1qa7 h GLN 181 Cb 1.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 1qa7 h GLN 181 CO 1.06 0.00 -0.56 0.77 -0.67 0.00 0.00 178.83 179.43 1qa7 h SER 182 N 0.00 0.00 -0.79 1.46 0.02 -1.98 -1.03 113.55 111.24 1qa7 h SER 182 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1qa7 h SER 182 Cb 0.59 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.88 1qa7 h SER 182 CO 0.00 0.56 0.39 2.30 -1.14 0.00 0.00 176.83 178.94 1qa7 n ILE 183 N -3.84 3.04 -4.18 3.27 -5.35 -1.01 -4.94 119.36 106.36 1qa7 n ILE 183 Ca -0.01 -2.43 -0.32 0.00 -0.27 0.00 0.00 62.75 59.71 1qa7 n ILE 183 Cb 0.57 -0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 37.87 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 -1.09 -2.61 -4.02 6.28 3.00 -0.39 -2.11 117.38 116.44 1qa7 n GLN 184 Ca 0.52 0.31 -0.31 0.00 -0.01 0.00 0.00 57.00 57.51 1qa7 n GLN 184 Cb 1.31 -4.60 -0.00 0.00 0.00 0.00 0.00 30.24 26.94 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 -2.79 -3.24 -4.43 1.08 4.13 -0.13 -4.85 115.26 105.02 1qa7 n ASN 185 Ca -0.13 -0.91 -0.41 0.00 1.68 0.00 0.00 54.58 54.82 1qa7 n ASN 185 Cb 0.59 -3.35 0.01 0.00 -1.54 0.00 0.00 39.78 35.50 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 -4.50 -1.66 -2.70 5.41 0.00 -0.90 -3.81 120.51 112.35 1qa7 n ALA 186 Ca -0.03 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1qa7 n ALA 186 Cb 0.55 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.59 4.89 -0.13 0.00 1.01 -0.49 -0.45 121.20 124.43 1qa7 s ILE 187 Ca 0.64 1.87 0.20 0.00 0.00 0.00 0.00 60.65 63.35 1qa7 s ILE 187 Cb -0.56 -4.23 -0.29 0.00 0.01 0.00 0.00 42.46 37.39 1qa7 s ILE 187 CO 0.58 0.13 0.24 0.18 0.00 0.00 0.00 174.94 176.07 1qa7 n LEU 188 N 4.28 0.00 0.00 2.97 4.77 0.02 -0.43 117.00 128.61 1qa7 n LEU 188 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1qa7 n LEU 188 Cb 0.50 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1qa7 n LEU 188 CO 0.50 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1qa7 n GLY 189 N 1.55 -1.67 3.20 -0.72 0.00 -1.25 -1.67 105.19 104.63 1qa7 n GLY 189 Ca -0.21 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.79 2.00 0.12 -0.61 -1.09 -0.45 -1.95 121.20 116.43 1qa7 s ILE 190 Ca 0.00 -0.98 -0.32 0.00 -2.23 0.00 0.00 60.65 57.12 1qa7 s ILE 190 Cb 0.00 -1.74 -0.12 0.00 -1.58 0.00 0.00 42.46 39.02 1qa7 s ILE 190 CO 0.00 0.54 1.78 1.57 -1.23 0.00 0.00 174.94 177.61 1qa7 n HIS 191 N 3.67 2.56 0.00 3.97 -0.00 -0.40 -0.84 115.22 124.19 1qa7 n HIS 191 Ca -0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 1qa7 n HIS 191 Cb 0.53 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 1qa7 n HIS 191 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1qa7 n VAL 192 N 4.43 0.00 -3.61 3.57 0.24 0.52 -1.44 118.33 122.04 1qa7 n VAL 192 Ca 0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.40 1qa7 n VAL 192 Cb 0.35 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 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 -1.72 -1.64 0.15 2.33 0.00 -0.91 -4.95 121.76 115.02 1qa7 s ALA 193 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1qa7 s ALA 193 Cb 0.00 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.84 1qa7 s ALA 193 CO 0.00 -0.86 1.02 0.20 0.00 0.00 0.00 175.76 176.12 1qa7 s GLY 194 N -2.74 -0.12 0.00 0.00 0.00 -1.26 0.31 107.32 103.51 1qa7 s GLY 194 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1qa7 s GLY 194 CO -0.04 0.86 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1qa7 n GLY 195 N -0.55 4.50 3.57 0.20 0.00 -0.70 -4.99 105.19 107.23 1qa7 n GLY 195 Ca -0.05 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -5.02 -1.52 1.61 3.02 -1.26 -2.05 115.26 110.03 1qa7 n ASN 196 Ca 0.00 -0.58 -0.13 0.00 -0.03 0.00 0.00 54.58 53.84 1qa7 n ASN 196 Cb 0.00 -4.99 -0.05 0.00 -0.61 0.00 0.00 39.78 34.13 1qa7 n ASN 196 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qa7 n SER 197 N -3.04 -3.52 -4.24 6.41 7.64 -1.26 -4.95 113.62 110.66 1qa7 n SER 197 Ca -0.08 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 1qa7 n SER 197 Cb 0.59 -3.25 -0.17 0.00 -1.01 0.00 0.00 64.21 60.38 1qa7 n SER 197 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1qa7 s ILE 198 N -2.18 2.09 -0.05 0.44 -1.09 -0.87 0.55 121.20 120.09 1qa7 s ILE 198 Ca 0.00 -1.02 0.03 0.00 -2.23 0.00 0.00 60.65 57.43 1qa7 s ILE 198 Cb 0.00 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.07 1qa7 s ILE 198 CO 0.00 0.56 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.38 1qa7 s LEU 199 N 0.19 2.81 -0.13 2.97 1.43 0.18 -1.71 118.68 124.41 1qa7 s LEU 199 Ca -0.14 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1qa7 s LEU 199 Cb -0.17 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1qa7 s LEU 199 CO 0.07 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.10 1qa7 s VAL 200 N -0.76 2.19 -0.13 -1.59 1.01 0.15 -2.10 120.40 119.17 1qa7 s VAL 200 Ca 0.12 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1qa7 s VAL 200 Cb -0.11 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1qa7 s VAL 200 CO 0.01 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 1qa7 s ALA 201 N 0.70 1.70 0.17 5.51 0.00 -0.56 -0.36 121.76 128.92 1qa7 s ALA 201 Ca -0.09 -0.78 -0.32 0.00 0.00 0.00 0.00 51.96 50.77 1qa7 s ALA 201 Cb -0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.90 1qa7 s ALA 201 CO 0.01 -0.29 1.73 0.21 0.00 0.00 0.00 175.76 177.42 1qa7 s LYS 202 N 1.37 4.15 0.10 0.00 2.47 -0.02 -0.16 119.74 127.65 1qa7 s LYS 202 Ca 0.01 2.55 -0.31 0.00 -1.56 0.00 0.00 55.97 56.66 1qa7 s LYS 202 Cb -0.13 -3.29 -0.09 0.00 -1.46 0.00 0.00 37.83 32.86 1qa7 s LYS 202 CO -0.07 -0.76 1.62 -1.17 0.16 0.00 0.00 175.35 175.12 1qa7 s LEU 203 N 1.76 4.37 -0.26 5.43 2.96 -0.03 -1.34 118.68 131.56 1qa7 s LEU 203 Ca 0.76 2.53 0.01 0.00 -0.22 0.00 0.00 54.13 57.20 1qa7 s LEU 203 Cb -0.47 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 42.72 1qa7 s LEU 203 CO 0.33 -0.86 0.00 -0.69 -1.32 0.00 0.00 176.35 173.82 1qa7 s VAL 204 N 2.07 1.41 0.38 1.68 1.01 -0.67 -4.90 120.40 121.37 1qa7 s VAL 204 Ca 0.72 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1qa7 s VAL 204 Cb -0.41 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1qa7 s VAL 204 CO 0.32 -0.30 0.70 0.42 0.00 0.00 0.00 175.10 176.23 1qa7 s THR 205 N 1.41 4.89 0.55 3.92 -4.23 -1.26 -4.35 115.64 116.58 1qa7 s THR 205 Ca 0.00 0.33 0.30 0.00 -1.18 0.00 0.00 61.69 61.14 1qa7 s THR 205 Cb -0.18 -3.76 0.44 0.00 1.34 0.00 0.00 72.50 70.34 1qa7 s THR 205 CO -0.11 -0.51 1.90 1.56 -0.54 0.00 0.00 174.62 176.92 1qa7 h GLN 206 N 1.20 0.00 0.00 3.99 4.20 -0.69 0.34 115.11 124.16 1qa7 h GLN 206 Ca -0.47 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1qa7 h GLN 206 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1qa7 h GLN 206 CO 0.64 0.00 -0.20 0.93 -0.67 0.00 0.00 178.83 179.53 1qa7 h GLU 207 N 0.00 0.00 0.00 1.46 3.07 -1.93 -3.00 114.58 114.17 1qa7 h GLU 207 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1qa7 h GLU 207 Cb 1.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1qa7 h GLU 207 CO -0.00 0.20 0.00 -1.33 -1.40 0.00 0.00 179.01 176.48 1qa7 n MET 208 N -3.42 0.23 -0.23 2.33 2.81 0.11 -2.25 117.12 116.70 1qa7 n MET 208 Ca -0.00 0.11 0.08 0.00 -1.81 0.00 0.00 57.70 56.07 1qa7 n MET 208 Cb 0.39 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.62 1qa7 n MET 208 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1qa7 n PHE 209 N -1.33 0.60 0.32 2.03 3.72 -1.13 -4.57 117.46 117.10 1qa7 n PHE 209 Ca 0.09 -0.30 0.19 0.00 -0.05 0.00 0.00 57.45 57.38 1qa7 n PHE 209 Cb 0.18 0.00 1.07 0.00 -0.94 0.00 0.00 39.48 39.79 1qa7 n PHE 209 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1qa7 h GLN 210 N 2.77 0.00 0.00 -1.08 3.07 -1.66 -2.22 115.11 115.99 1qa7 h GLN 210 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1qa7 h GLN 210 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1qa7 h GLN 210 CO 0.00 0.00 -1.25 0.09 0.09 0.00 0.00 178.83 177.76 1qa7 n ASN 211 N -3.42 0.53 0.26 0.06 3.02 -1.26 -4.57 115.26 109.88 1qa7 n ASN 211 Ca -0.03 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.53 1qa7 n ASN 211 Cb 0.08 1.02 0.70 0.00 -0.61 0.00 0.00 39.78 40.97 1qa7 n ASN 211 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1qa7 h ILE 212 N 0.00 0.79 -0.01 2.41 3.07 -1.73 -2.09 117.51 119.95 1qa7 h ILE 212 Ca 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1qa7 h ILE 212 Cb 0.84 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1qa7 h ILE 212 CO 0.00 0.09 -0.30 0.47 -1.05 0.00 0.00 178.15 177.36 1qa7 n ASP 213 N -4.04 1.47 -4.65 2.16 8.00 -1.26 -4.88 116.55 113.35 1qa7 n ASP 213 Ca -0.02 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 1qa7 n ASP 213 Cb 0.18 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1qa7 n ASP 213 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qa7 s LYS 214 N -2.44 4.03 0.59 -1.24 1.02 -0.79 -4.87 119.74 116.04 1qa7 s LYS 214 Ca 0.24 2.39 -0.18 0.00 0.02 0.00 0.00 55.97 58.43 1qa7 s LYS 214 Cb 0.19 -4.13 -0.06 0.00 -0.52 0.00 0.00 37.83 33.31 1qa7 s LYS 214 CO 0.51 -1.06 0.81 1.17 -0.92 0.00 0.00 175.35 175.87 1qa7 n LYS 215 N 7.56 0.76 -2.52 1.68 3.00 -1.26 -3.81 118.16 123.57 1qa7 n LYS 215 Ca 0.20 0.30 -0.07 0.00 -0.00 0.00 0.00 58.31 58.74 1qa7 n LYS 215 Cb 0.42 -2.00 0.03 0.00 0.00 0.00 0.00 35.03 33.48 1qa7 n LYS 215 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1qa7 n ILE 216 N -1.71 -6.04 0.10 3.15 3.06 -1.26 -5.21 119.36 111.45 1qa7 n ILE 216 Ca 0.13 -0.66 0.01 0.00 -2.50 0.00 0.00 62.75 59.73 1qa7 n ILE 216 Cb 0.47 -5.22 0.05 0.00 0.54 0.00 0.00 39.64 35.48 1qa7 n ILE 216 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43