#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx1 n THR -9 N 0.00 -8.01 -3.28 2.03 -2.24 -1.26 -4.97 114.28 96.56 2qx1 n THR -9 Ca 0.00 1.50 -0.36 0.00 -2.27 0.00 0.00 64.05 62.92 2qx1 n THR -9 Cb 0.00 -5.09 -0.06 0.00 -2.10 0.00 0.00 70.33 63.08 2qx1 n THR -9 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qx1 s GLU -8 N -0.84 4.08 -0.11 -0.78 2.56 -1.26 -5.04 118.70 117.32 2qx1 s GLU -8 Ca -0.10 0.62 -0.30 0.00 0.00 0.00 0.00 54.97 55.20 2qx1 s GLU -8 Cb 0.01 -2.97 -0.02 0.00 2.00 0.00 0.00 34.13 33.15 2qx1 s GLU -8 CO 0.47 0.49 1.16 0.42 -0.56 0.00 0.00 175.26 177.23 2qx1 s ILE -7 N -1.42 4.41 0.40 -3.70 1.01 -1.26 -5.02 121.20 115.62 2qx1 s ILE -7 Ca 0.38 1.71 -0.24 0.00 0.00 0.00 0.00 60.65 62.50 2qx1 s ILE -7 Cb -0.16 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 2qx1 s ILE -7 CO 0.20 -0.05 1.04 0.00 0.00 0.00 0.00 174.94 176.13 2qx1 s ALA -6 N 2.53 3.09 0.04 9.38 0.00 -1.26 -5.07 121.76 130.47 2qx1 s ALA -6 Ca 0.53 0.68 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2qx1 s ALA -6 Cb -0.22 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2qx1 s ALA -6 CO 0.18 -0.19 0.04 0.99 0.00 0.00 0.00 175.76 176.78 2qx1 s THR -5 N -1.68 4.35 0.31 0.00 2.01 -1.26 -5.13 115.64 114.25 2qx1 s THR -5 Ca 0.58 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.96 2qx1 s THR -5 Cb -0.21 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2qx1 s THR -5 CO 0.27 0.25 0.29 0.28 -0.69 0.00 0.00 174.62 175.01 2qx1 s THR -4 N -1.24 3.85 0.03 -0.82 -1.32 -1.26 -5.14 115.64 109.73 2qx1 s THR -4 Ca 0.24 -1.34 -0.03 0.00 -1.21 0.00 0.00 61.69 59.36 2qx1 s THR -4 Cb -0.12 -3.27 -0.02 0.00 -1.51 0.00 0.00 72.50 67.58 2qx1 s THR -4 CO 0.16 -0.22 0.03 -0.44 -2.21 0.00 0.00 174.62 171.94 2qx1 s SER -3 N -3.97 0.23 0.32 8.08 0.01 -1.25 -4.69 113.70 112.42 2qx1 s SER -3 Ca 0.39 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 57.17 2qx1 s SER -3 Cb -0.07 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 2qx1 s SER -3 CO 0.27 -0.42 0.24 0.61 0.41 0.00 0.00 173.24 174.35 2qx1 n GLY -2 N 1.09 3.03 1.35 3.44 0.00 0.04 -4.33 105.19 109.80 2qx1 n GLY -2 Ca -0.21 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 2qx1 n GLY -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 n ALA -1 N -0.92 -1.56 0.08 4.61 0.00 -1.25 -4.71 120.51 116.76 2qx1 n ALA -1 Ca -0.11 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 2qx1 n ALA -1 Cb 0.56 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 2qx1 n ALA -1 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qx1 h ARG 1 N 1.23 0.14 -4.53 0.00 2.43 -1.92 -3.36 114.38 108.36 2qx1 h ARG 1 Ca -0.19 -0.21 -0.54 0.00 -0.81 0.00 0.00 59.98 58.23 2qx1 h ARG 1 Cb 0.54 0.08 -0.34 0.00 -0.42 0.00 0.00 29.97 29.82 2qx1 h ARG 1 CO 0.26 1.07 -0.82 -1.54 -1.51 0.00 0.00 179.97 177.43 2qx1 s SER 2 N -6.92 2.03 0.21 -3.80 1.04 -1.26 -4.99 113.70 100.01 2qx1 s SER 2 Ca -0.02 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.14 2qx1 s SER 2 Cb 0.09 -0.90 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 2qx1 s SER 2 CO 0.84 -0.00 -0.09 0.68 0.98 0.00 0.00 173.24 175.65 2qx1 s VAL 3 N 0.95 1.42 0.23 5.02 -7.23 -1.26 -1.24 120.40 118.28 2qx1 s VAL 3 Ca -0.09 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 57.75 2qx1 s VAL 3 Cb -0.15 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.73 2qx1 s VAL 3 CO 0.00 -0.53 0.93 -0.83 -0.31 0.00 0.00 175.10 174.36 2qx1 s GLY 4 N -3.30 0.03 -1.01 2.32 0.00 -0.60 -1.74 107.32 103.03 2qx1 s GLY 4 Ca 0.23 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.45 2qx1 s GLY 4 CO 0.06 0.81 1.66 1.08 0.00 0.00 0.00 173.10 176.71 2qx1 s LEU 5 N -3.14 3.39 0.30 0.66 1.43 -1.26 -2.81 118.68 117.25 2qx1 s LEU 5 Ca 0.16 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2qx1 s LEU 5 Cb -0.03 -2.57 0.58 0.00 0.03 0.00 0.00 46.19 44.21 2qx1 s LEU 5 CO 0.06 -1.97 1.86 -0.07 0.23 0.00 0.00 176.35 176.46 2qx1 h LEU 6 N 14.69 0.89 -8.14 1.79 3.38 -1.25 -3.37 115.31 123.30 2qx1 h LEU 6 Ca 0.19 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2qx1 h LEU 6 Cb 0.99 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2qx1 h LEU 6 CO 1.35 0.49 0.12 -0.94 0.09 0.00 0.00 178.44 179.55 2qx1 s SER 7 N -5.77 0.13 -0.02 -0.43 1.04 -1.25 -3.39 113.70 104.01 2qx1 s SER 7 Ca -0.12 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2qx1 s SER 7 Cb 0.22 0.76 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2qx1 s SER 7 CO 0.80 -1.47 0.01 0.54 0.98 0.00 0.00 173.24 174.10 2qx1 s VAL 8 N -2.99 0.03 -0.05 5.02 0.11 -1.26 -2.60 120.40 118.66 2qx1 s VAL 8 Ca 0.19 0.13 0.06 0.00 -2.93 0.00 0.00 61.98 59.42 2qx1 s VAL 8 Cb -0.04 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2qx1 s VAL 8 CO 0.12 0.09 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.93 2qx1 s GLY 9 N 0.83 1.17 -0.03 6.54 0.00 0.77 -4.56 107.32 112.03 2qx1 s GLY 9 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.74 2qx1 s GLY 9 CO -0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 173.10 172.35 2qx1 s ALA 10 N -0.16 1.20 -0.13 3.20 0.00 -1.26 0.10 121.76 124.72 2qx1 s ALA 10 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2qx1 s ALA 10 Cb -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2qx1 s ALA 10 CO 0.03 0.23 -0.13 -0.47 0.00 0.00 0.00 175.76 175.42 2qx1 s TYR 11 N 0.01 1.93 -0.07 0.00 5.04 0.64 -4.86 117.35 120.05 2qx1 s TYR 11 Ca -0.01 -1.01 0.05 0.00 -2.44 0.00 0.00 57.07 53.65 2qx1 s TYR 11 Cb -0.09 -1.45 -0.00 0.00 0.35 0.00 0.00 41.96 40.77 2qx1 s TYR 11 CO 0.01 -0.57 -0.23 1.03 -1.34 0.00 0.00 175.55 174.45 2qx1 s ARG 12 N 1.39 2.57 0.50 4.97 0.52 -1.26 -1.01 118.95 126.62 2qx1 s ARG 12 Ca 0.01 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 2qx1 s ARG 12 Cb -0.13 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 2qx1 s ARG 12 CO -0.07 0.26 1.15 -2.14 0.02 0.00 0.00 175.30 174.52 2qx1 s PRO 13 N 0.11 3.57 0.34 3.54 0.02 -1.26 -4.95 135.00 136.37 2qx1 s PRO 13 Ca -0.10 1.71 0.03 0.00 0.02 0.00 0.00 61.00 62.66 2qx1 s PRO 13 Cb -0.15 -2.23 0.60 0.00 0.02 0.00 0.00 34.50 32.74 2qx1 s PRO 13 CO 0.05 -0.69 1.94 1.05 -0.33 0.00 0.00 177.00 179.02 2qx1 h GLU 14 N 1.68 0.71 -6.07 5.54 4.11 -2.00 -3.43 114.58 115.12 2qx1 h GLU 14 Ca -0.50 -0.09 -0.53 0.00 0.07 0.00 0.00 59.36 58.31 2qx1 h GLU 14 Cb 1.25 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2qx1 h GLU 14 CO 0.59 0.57 1.35 0.50 0.07 0.00 0.00 179.01 182.09 2qx1 s ARG 15 N -5.36 2.89 0.08 1.06 6.06 -1.26 -4.98 118.95 117.44 2qx1 s ARG 15 Ca -0.09 1.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.91 2qx1 s ARG 15 Cb 0.16 -4.32 -0.06 0.00 0.06 0.00 0.00 34.95 30.80 2qx1 s ARG 15 CO 0.77 -2.39 1.12 0.08 -2.50 0.00 0.00 175.30 172.37 2qx1 s VAL 16 N 8.43 4.18 -0.25 7.11 1.01 -1.26 -2.13 120.40 137.49 2qx1 s VAL 16 Ca 0.76 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 2qx1 s VAL 16 Cb -0.18 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2qx1 s VAL 16 CO 0.27 0.17 -0.07 -0.69 0.00 0.00 0.00 175.10 174.79 2qx1 s VAL 17 N 0.66 2.80 0.75 2.92 1.01 0.92 -4.95 120.40 124.50 2qx1 s VAL 17 Ca 0.54 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2qx1 s VAL 17 Cb -0.27 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.73 2qx1 s VAL 17 CO 0.30 0.20 1.12 0.42 0.00 0.00 0.00 175.10 177.15 2qx1 s THR 18 N 1.31 2.83 0.16 3.92 -4.23 -1.26 -2.06 115.64 116.31 2qx1 s THR 18 Ca -0.00 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.59 2qx1 s THR 18 Cb -0.17 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.45 2qx1 s THR 18 CO -0.05 -0.34 1.81 0.78 -0.54 0.00 0.00 174.62 176.28 2qx1 h ASN 19 N -0.81 0.53 -0.84 3.99 2.35 -1.88 -2.45 115.58 116.47 2qx1 h ASN 19 Ca -0.45 -0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.33 2qx1 h ASN 19 Cb 1.29 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.46 2qx1 h ASN 19 CO 0.65 0.40 0.51 0.44 -1.65 0.00 0.00 177.43 177.78 2qx1 h ASP 20 N 0.61 0.80 -0.85 5.81 5.19 -1.93 -1.68 116.42 124.38 2qx1 h ASP 20 Ca 0.16 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.62 2qx1 h ASP 20 Cb -0.05 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 2qx1 h ASP 20 CO -0.03 0.50 0.56 -0.08 -3.12 0.00 0.00 179.24 177.07 2qx1 h GLU 21 N 0.93 1.06 -0.69 3.56 4.81 -1.87 -1.92 114.58 120.45 2qx1 h GLU 21 Ca 0.37 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2qx1 h GLU 21 Cb 0.19 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2qx1 h GLU 21 CO -0.18 0.70 0.16 0.82 -0.73 0.00 0.00 179.01 179.78 2qx1 h ILE 22 N 1.09 1.26 0.00 2.32 1.08 -0.85 -3.20 117.51 119.21 2qx1 h ILE 22 Ca 0.33 -0.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 2qx1 h ILE 22 Cb -0.03 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2qx1 h ILE 22 CO -0.09 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 2qx1 h GLN 24 N 0.10 0.46 -0.48 0.00 4.20 -1.59 -3.33 115.11 114.46 2qx1 h GLN 24 Ca 0.00 -0.42 -0.12 0.00 0.06 0.00 0.00 58.65 58.17 2qx1 h GLN 24 Cb 0.22 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2qx1 h GLN 24 CO 0.00 1.06 0.09 0.72 -0.67 0.00 0.00 178.83 180.04 2qx1 n HIS 25 N -4.24 1.62 -3.72 2.96 8.25 -1.23 -4.95 115.22 113.91 2qx1 n HIS 25 Ca -0.09 -1.14 -0.12 0.00 -0.26 0.00 0.00 57.72 56.11 2qx1 n HIS 25 Cb 0.63 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 2qx1 n HIS 25 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2qx1 s ILE 26 N -2.98 0.07 -0.89 1.59 -4.36 -1.25 -4.21 121.20 109.17 2qx1 s ILE 26 Ca 0.48 -0.60 -0.21 0.00 -0.26 0.00 0.00 60.65 60.06 2qx1 s ILE 26 Cb 0.40 -0.95 0.09 0.00 1.25 0.00 0.00 42.46 43.24 2qx1 s ILE 26 CO 0.09 -0.33 1.21 -0.62 0.24 0.00 0.00 174.94 175.53 2qx1 s ASP 27 N -2.06 6.46 0.00 4.36 2.15 -1.26 -4.75 116.67 121.57 2qx1 s ASP 27 Ca -0.05 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.40 2qx1 s ASP 27 Cb -0.01 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2qx1 s ASP 27 CO -0.03 -1.34 0.00 -0.24 -0.17 0.00 0.00 175.17 173.39 2qx1 n SER 28 N 7.71 0.00 -3.88 -0.34 2.88 -1.26 -5.08 113.62 113.65 2qx1 n SER 28 Ca 0.20 -0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.55 2qx1 n SER 28 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2qx1 n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2qx1 s SER 29 N 1.47 -0.23 0.06 -3.46 1.04 -1.26 -5.00 113.70 106.32 2qx1 s SER 29 Ca 0.00 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.52 2qx1 s SER 29 Cb 0.00 0.70 -0.17 0.00 0.10 0.00 0.00 66.02 66.65 2qx1 s SER 29 CO 0.00 -1.30 1.61 -0.78 0.98 0.00 0.00 173.24 173.75 2qx1 h ASP 30 N 2.05 -0.18 -0.89 7.02 1.82 -1.97 -2.50 116.42 121.77 2qx1 h ASP 30 Ca -0.21 -0.07 0.11 0.00 -0.39 0.00 0.00 57.03 56.47 2qx1 h ASP 30 Cb 1.25 0.05 -0.08 0.00 0.68 0.00 0.00 39.33 41.23 2qx1 h ASP 30 CO 0.26 -0.04 0.52 -0.08 -1.61 0.00 0.00 179.24 178.30 2qx1 h GLU 31 N -0.31 0.81 -0.64 0.28 4.57 -1.98 0.24 114.58 117.56 2qx1 h GLU 31 Ca -0.02 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 2qx1 h GLU 31 Cb 0.24 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2qx1 h GLU 31 CO 0.03 0.54 0.16 2.35 -1.18 0.00 0.00 179.01 180.92 2qx1 h TRP 32 N 0.84 1.08 -0.00 0.92 7.01 -1.95 -2.42 115.95 121.43 2qx1 h TRP 32 Ca 0.44 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 2qx1 h TRP 32 Cb 0.45 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2qx1 h TRP 32 CO -0.04 0.89 -0.01 0.82 -2.79 0.00 0.00 178.44 177.31 2qx1 h ILE 33 N 0.95 1.48 -0.18 2.65 1.08 -0.91 -3.15 117.51 119.43 2qx1 h ILE 33 Ca 0.20 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.25 2qx1 h ILE 33 Cb 0.35 2.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 2qx1 h ILE 33 CO 0.00 0.37 0.10 0.22 -0.69 0.00 0.00 178.15 178.15 2qx1 h TYR 34 N -0.59 0.25 -0.48 1.37 5.03 -1.00 -1.82 116.97 119.73 2qx1 h TYR 34 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2qx1 h TYR 34 Cb 0.61 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2qx1 h TYR 34 CO 0.14 0.25 0.31 1.79 -1.32 0.00 0.00 178.16 179.33 2qx1 h THR 35 N 0.18 1.13 0.00 1.81 1.35 -1.57 1.16 112.91 116.97 2qx1 h THR 35 Ca 0.06 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2qx1 h THR 35 Cb 0.08 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2qx1 h THR 35 CO -0.01 0.13 -0.16 0.54 -0.25 0.00 0.00 175.52 175.76 2qx1 n ARG 36 N -4.74 0.06 0.00 4.72 1.74 -1.17 -4.39 116.66 112.88 2qx1 n ARG 36 Ca 0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2qx1 n ARG 36 Cb 0.03 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2qx1 n ARG 36 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qx1 n THR 37 N -1.66 0.00 -0.00 0.55 -2.24 -0.69 -4.79 114.28 105.45 2qx1 n THR 37 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2qx1 n THR 37 Cb 0.36 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2qx1 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qx1 n GLY 38 N 2.57 0.68 3.72 3.38 0.00 0.40 -0.09 105.19 115.85 2qx1 n GLY 38 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2qx1 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qx1 s ILE 39 N -2.00 5.06 -0.18 -0.61 1.01 -1.26 -3.76 121.20 119.46 2qx1 s ILE 39 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 61.91 2qx1 s ILE 39 Cb 0.00 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 2qx1 s ILE 39 CO 0.00 0.25 -0.27 0.29 0.00 0.00 0.00 174.94 175.22 2qx1 n LYS 40 N 3.82 0.43 -4.05 2.79 4.76 0.27 -3.51 118.16 122.66 2qx1 n LYS 40 Ca -0.02 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 2qx1 n LYS 40 Cb 0.51 -1.23 -0.09 0.00 -1.84 0.00 0.00 35.03 32.38 2qx1 n LYS 40 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2qx1 s THR 41 N -2.46 0.14 0.22 -0.18 -4.23 -1.05 -2.55 115.64 105.52 2qx1 s THR 41 Ca -0.27 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 2qx1 s THR 41 Cb 0.09 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 2qx1 s THR 41 CO 0.35 -0.63 0.38 0.00 -0.54 0.00 0.00 174.62 174.18 2qx1 s ARG 42 N -3.97 1.39 -0.18 3.99 3.03 -0.87 -2.61 118.95 119.73 2qx1 s ARG 42 Ca 0.15 -1.27 -0.05 0.00 2.03 0.00 0.00 55.73 56.58 2qx1 s ARG 42 Cb 0.06 0.42 -0.03 0.00 -1.03 0.00 0.00 34.95 34.37 2qx1 s ARG 42 CO -0.04 -0.55 0.01 1.03 -1.13 0.00 0.00 175.30 174.62 2qx1 s ARG 43 N -4.02 3.75 -0.12 3.89 1.81 -1.26 -0.05 118.95 122.95 2qx1 s ARG 43 Ca 0.23 -0.47 -0.02 0.00 -1.72 0.00 0.00 55.73 53.76 2qx1 s ARG 43 Cb 0.01 -3.06 -0.03 0.00 -0.45 0.00 0.00 34.95 31.43 2qx1 s ARG 43 CO 0.07 0.18 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.76 2qx1 s PHE 44 N 0.56 3.00 0.66 -0.53 0.40 -0.90 -0.62 117.98 120.54 2qx1 s PHE 44 Ca -0.00 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 2qx1 s PHE 44 Cb -0.14 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 2qx1 s PHE 44 CO 0.02 0.13 1.07 0.00 0.70 0.00 0.00 175.22 177.14 2qx1 s ALA 45 N -0.15 2.60 0.85 5.36 0.00 -1.26 -4.31 121.76 124.85 2qx1 s ALA 45 Ca 0.03 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2qx1 s ALA 45 Cb -0.13 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.86 2qx1 s ALA 45 CO 0.03 -1.17 1.09 0.00 0.00 0.00 0.00 175.76 175.71 2qx1 s ALA 46 N -2.67 1.82 0.26 0.00 0.00 -1.26 -4.97 121.76 114.94 2qx1 s ALA 46 Ca 0.62 -0.06 0.15 0.00 0.00 0.00 0.00 51.96 52.67 2qx1 s ALA 46 Cb -0.16 -3.18 0.60 0.00 0.00 0.00 0.00 23.12 20.38 2qx1 s ALA 46 CO 0.46 -2.11 1.72 -0.44 0.00 0.00 0.00 175.76 175.39 2qx1 h ASP 47 N -1.37 0.00 -0.07 0.00 5.19 -2.06 -2.59 116.42 115.52 2qx1 h ASP 47 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2qx1 h ASP 47 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2qx1 h ASP 47 CO 0.55 0.45 0.00 -0.90 -3.12 0.00 0.00 179.24 176.23 2qx1 n ASP 48 N -3.75 0.88 -5.00 6.45 5.75 -1.26 -4.90 116.55 114.72 2qx1 n ASP 48 Ca -0.01 -1.52 -0.18 0.00 -0.01 0.00 0.00 54.79 53.07 2qx1 n ASP 48 Cb 0.52 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.57 2qx1 n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qx1 s GLU 49 N -1.91 2.85 0.13 0.11 2.02 -0.98 -5.02 118.70 115.91 2qx1 s GLU 49 Ca 0.32 -1.11 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 2qx1 s GLU 49 Cb 0.16 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.73 2qx1 s GLU 49 CO 0.26 -0.26 0.81 -1.54 0.02 0.00 0.00 175.26 174.55 2qx1 s SER 50 N -4.32 -0.34 0.37 -0.19 1.04 -1.26 -4.94 113.70 104.06 2qx1 s SER 50 Ca 0.53 -0.24 0.21 0.00 0.48 0.00 0.00 55.95 56.93 2qx1 s SER 50 Cb -0.10 0.53 1.33 0.00 0.10 0.00 0.00 66.02 67.88 2qx1 s SER 50 CO 0.33 -0.93 1.59 0.00 0.98 0.00 0.00 173.24 175.22 2qx1 h ALA 51 N 2.00 2.16 0.21 5.32 0.00 -1.91 -0.41 119.26 126.63 2qx1 h ALA 51 Ca -0.25 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qx1 h ALA 51 Cb 1.26 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2qx1 h ALA 51 CO 0.29 -0.93 -0.10 0.00 0.00 0.00 0.00 179.25 178.51 2qx1 h ALA 52 N 1.98 -0.29 -0.49 0.00 0.00 -1.94 -1.65 119.26 116.87 2qx1 h ALA 52 Ca 0.84 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.66 2qx1 h ALA 52 Cb 2.20 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 20.00 2qx1 h ALA 52 CO -0.75 -0.32 -0.26 0.66 0.00 0.00 0.00 179.25 178.58 2qx1 h SER 53 N -0.96 -0.89 0.32 0.00 4.64 -1.76 0.10 113.55 115.00 2qx1 h SER 53 Ca -0.03 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2qx1 h SER 53 Cb 0.46 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2qx1 h SER 53 CO 0.05 -0.27 -0.16 0.24 -0.87 0.00 0.00 176.83 175.82 2qx1 h MET 54 N -0.15 -0.42 -0.74 4.77 0.00 -1.22 -2.29 114.93 114.88 2qx1 h MET 54 Ca 0.22 0.03 0.16 0.00 0.00 0.00 0.00 59.70 60.11 2qx1 h MET 54 Cb 0.50 0.10 -0.14 0.00 0.00 0.00 0.00 31.60 32.06 2qx1 h MET 54 CO -0.58 -0.23 -0.13 0.00 0.00 0.00 0.00 176.91 175.97 2qx1 h ALA 55 N 0.14 0.58 -0.26 6.32 0.00 -0.79 -0.56 119.26 124.68 2qx1 h ALA 55 Ca -0.04 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2qx1 h ALA 55 Cb 0.39 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2qx1 h ALA 55 CO 0.07 -0.42 0.03 1.15 0.00 0.00 0.00 179.25 180.09 2qx1 h THR 56 N 0.03 0.85 -0.25 0.00 2.02 -0.57 -1.79 112.91 113.21 2qx1 h THR 56 Ca 0.37 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.53 2qx1 h THR 56 Cb 0.60 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2qx1 h THR 56 CO -0.73 0.02 0.12 -0.08 0.37 0.00 0.00 175.52 175.22 2qx1 h GLU 57 N 0.13 0.25 -0.84 6.66 4.57 -0.56 -2.04 114.58 122.75 2qx1 h GLU 57 Ca 0.12 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.44 2qx1 h GLU 57 Cb 0.14 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.58 2qx1 h GLU 57 CO -0.18 0.17 0.42 0.00 -1.18 0.00 0.00 179.01 178.24 2qx1 h ALA 58 N 1.13 1.26 -0.52 2.92 0.00 -1.10 -2.60 119.26 120.34 2qx1 h ALA 58 Ca 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qx1 h ALA 58 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qx1 h ALA 58 CO -0.07 -0.11 0.25 0.00 0.00 0.00 0.00 179.25 179.32 2qx1 h ARG 60 N 0.69 0.37 -0.73 0.00 3.08 -1.24 0.35 114.38 116.90 2qx1 h ARG 60 Ca 0.18 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 2qx1 h ARG 60 Cb 0.12 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2qx1 h ARG 60 CO -0.02 0.25 0.20 0.00 -1.07 0.00 0.00 179.97 179.32 2qx1 h ARG 61 N 0.39 1.15 0.43 0.04 3.08 -0.99 0.13 114.38 118.61 2qx1 h ARG 61 Ca 0.26 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qx1 h ARG 61 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2qx1 h ARG 61 CO -0.25 1.00 -0.21 0.00 -1.07 0.00 0.00 179.97 179.44 2qx1 h ALA 62 N 1.11 -0.57 -0.91 0.04 0.00 -0.77 -2.28 119.26 115.87 2qx1 h ALA 62 Ca 0.23 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.15 2qx1 h ALA 62 Cb 0.35 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2qx1 h ALA 62 CO -0.00 -0.74 0.48 -0.07 0.00 0.00 0.00 179.25 178.92 2qx1 h LEU 63 N -0.74 0.57 -0.68 0.00 3.38 0.30 -0.37 115.31 117.77 2qx1 h LEU 63 Ca -0.06 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2qx1 h LEU 63 Cb 0.52 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2qx1 h LEU 63 CO 0.10 0.19 -0.17 -1.28 0.09 0.00 0.00 178.44 177.36 2qx1 h SER 64 N 0.62 0.85 0.36 -0.43 0.87 -0.74 0.83 113.55 115.91 2qx1 h SER 64 Ca 0.52 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 2qx1 h SER 64 Cb 0.83 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2qx1 h SER 64 CO -0.41 1.01 -0.45 0.78 -0.53 0.00 0.00 176.83 177.24 2qx1 h ASN 65 N 0.75 0.12 1.21 6.23 2.35 -0.50 -2.96 115.58 122.77 2qx1 h ASN 65 Ca 0.11 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2qx1 h ASN 65 Cb 0.69 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2qx1 h ASN 65 CO 0.05 0.56 -0.28 0.00 -1.65 0.00 0.00 177.43 176.12 2qx1 n ALA 66 N -2.46 2.57 -2.43 -0.83 0.00 -0.54 -4.90 120.51 111.91 2qx1 n ALA 66 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qx1 n ALA 66 Cb 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2qx1 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx1 n GLY 67 N 1.32 0.89 3.11 0.00 0.00 -1.02 -5.00 105.19 104.49 2qx1 n GLY 67 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2qx1 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qx1 s LEU 68 N -0.88 2.42 0.53 0.99 1.43 0.25 -5.03 118.68 118.39 2qx1 s LEU 68 Ca 0.00 -0.84 0.06 0.00 -1.03 0.00 0.00 54.13 52.32 2qx1 s LEU 68 Cb 0.00 -0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.20 2qx1 s LEU 68 CO 0.00 -0.40 0.39 -0.94 0.23 0.00 0.00 176.35 175.63 2qx1 s SER 69 N -2.49 4.64 0.27 2.29 1.04 -1.26 -3.99 113.70 114.20 2qx1 s SER 69 Ca 0.03 -1.21 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 2qx1 s SER 69 Cb 0.00 0.30 0.56 0.00 0.10 0.00 0.00 66.02 66.99 2qx1 s SER 69 CO -0.04 -1.04 1.75 0.00 0.98 0.00 0.00 173.24 174.89 2qx1 h ALA 70 N 0.81 1.31 -1.09 5.32 0.00 -1.96 -0.90 119.26 122.74 2qx1 h ALA 70 Ca -0.37 0.10 0.32 0.00 0.00 0.00 0.00 54.91 54.95 2qx1 h ALA 70 Cb 1.30 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2qx1 h ALA 70 CO 0.58 -0.12 0.85 0.00 0.00 0.00 0.00 179.25 180.55 2qx1 h ALA 71 N 1.58 2.99 0.00 0.00 0.00 -1.92 0.44 119.26 122.35 2qx1 h ALA 71 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2qx1 h ALA 71 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qx1 h ALA 71 CO -0.38 -1.41 -0.12 -0.25 0.00 0.00 0.00 179.25 177.09 2qx1 n ASP 72 N -4.02 0.38 -4.83 0.00 8.00 -0.34 -4.85 116.55 110.89 2qx1 n ASP 72 Ca 0.23 0.40 -0.38 0.00 0.71 0.00 0.00 54.79 55.75 2qx1 n ASP 72 Cb 1.21 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 2qx1 n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qx1 s ILE 73 N -3.05 5.09 -0.14 0.53 -1.09 0.14 -4.59 121.20 118.09 2qx1 s ILE 73 Ca 0.12 0.78 0.08 0.00 -2.23 0.00 0.00 60.65 59.40 2qx1 s ILE 73 Cb 0.16 -3.68 -0.12 0.00 -1.58 0.00 0.00 42.46 37.24 2qx1 s ILE 73 CO 0.59 0.57 0.24 0.47 -1.23 0.00 0.00 174.94 175.58 2qx1 n ASP 74 N 1.96 2.13 -3.53 3.58 10.43 0.14 -4.99 116.55 126.27 2qx1 n ASP 74 Ca -0.14 -0.24 -0.15 0.00 2.57 0.00 0.00 54.79 56.83 2qx1 n ASP 74 Cb 0.53 1.25 -0.05 0.00 1.84 0.00 0.00 41.12 44.68 2qx1 n ASP 74 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2qx1 s GLY 75 N -2.56 -0.50 -0.04 0.44 0.00 -1.25 -2.94 107.32 100.47 2qx1 s GLY 75 Ca -0.01 1.42 0.03 0.00 0.00 0.00 0.00 44.72 46.17 2qx1 s GLY 75 CO 0.35 0.88 -0.14 0.54 0.00 0.00 0.00 173.10 174.73 2qx1 s VAL 76 N -1.47 1.22 -0.34 1.40 0.11 0.15 -2.60 120.40 118.88 2qx1 s VAL 76 Ca -0.07 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.37 2qx1 s VAL 76 Cb -0.00 -1.07 0.07 0.00 -1.53 0.00 0.00 36.38 33.84 2qx1 s VAL 76 CO 0.05 0.36 0.07 -0.63 -3.33 0.00 0.00 175.10 171.62 2qx1 s ILE 77 N 0.22 3.16 -0.11 7.04 1.01 -0.73 -2.67 121.20 129.12 2qx1 s ILE 77 Ca -0.06 -1.55 -0.27 0.00 0.00 0.00 0.00 60.65 58.77 2qx1 s ILE 77 Cb -0.12 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 2qx1 s ILE 77 CO 0.02 -0.29 0.87 -0.69 0.00 0.00 0.00 174.94 174.85 2qx1 s VAL 78 N 1.23 4.89 -0.24 2.92 1.01 -1.11 -1.64 120.40 127.47 2qx1 s VAL 78 Ca -0.01 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.74 2qx1 s VAL 78 Cb -0.21 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2qx1 s VAL 78 CO -0.02 0.09 -0.09 0.28 0.00 0.00 0.00 175.10 175.37 2qx1 s THR 79 N 1.64 1.81 0.20 3.92 -1.32 -0.60 -1.30 115.64 119.98 2qx1 s THR 79 Ca 0.43 -1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.47 2qx1 s THR 79 Cb -0.18 -1.97 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2qx1 s THR 79 CO 0.17 -0.01 0.36 0.28 -2.21 0.00 0.00 174.62 173.22 2qx1 s THR 80 N 1.28 0.04 0.00 5.08 -1.32 -1.17 -3.02 115.64 116.53 2qx1 s THR 80 Ca -0.06 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2qx1 s THR 80 Cb -0.19 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 2qx1 s THR 80 CO -0.06 -0.17 0.67 0.59 -2.21 0.00 0.00 174.62 173.44 2qx1 n ASN 81 N -0.28 1.24 -1.56 8.08 3.02 -1.26 -4.51 115.26 120.00 2qx1 n ASN 81 Ca -0.05 -1.42 -0.08 0.00 -0.03 0.00 0.00 54.58 53.00 2qx1 n ASN 81 Cb 0.63 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.89 2qx1 n ASN 81 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qx1 n THR 82 N -0.21 2.03 -2.94 3.41 -2.24 -1.26 -4.96 114.28 108.11 2qx1 n THR 82 Ca 0.00 -3.41 -0.42 0.00 -2.27 0.00 0.00 64.05 57.94 2qx1 n THR 82 Cb 0.17 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 2qx1 n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qx1 s HIS 83 N -3.15 3.06 -0.29 4.78 5.04 -1.26 -4.46 115.29 119.01 2qx1 s HIS 83 Ca 0.42 0.45 0.01 0.00 -1.54 0.00 0.00 55.06 54.40 2qx1 s HIS 83 Cb 0.38 -3.54 0.32 0.00 0.04 0.00 0.00 32.58 29.79 2qx1 s HIS 83 CO -0.03 -0.84 1.70 1.19 -2.34 0.00 0.00 174.74 174.42 2qx1 n PHE 84 N 6.59 1.72 -4.21 3.88 0.99 -1.26 -4.75 117.46 120.43 2qx1 n PHE 84 Ca 0.03 -1.57 -0.25 0.00 -0.00 0.00 0.00 57.45 55.66 2qx1 n PHE 84 Cb 0.48 -0.78 -0.17 0.00 -1.00 0.00 0.00 39.48 38.01 2qx1 n PHE 84 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2qx1 s LEU 85 N -1.92 1.38 0.25 4.37 1.43 -1.26 -5.01 118.68 117.92 2qx1 s LEU 85 Ca 0.33 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2qx1 s LEU 85 Cb 0.27 -0.80 0.42 0.00 0.03 0.00 0.00 46.19 46.11 2qx1 s LEU 85 CO 0.04 -0.05 1.82 1.56 0.23 0.00 0.00 176.35 179.94 2qx1 h GLN 86 N 7.60 0.83 -3.43 1.70 1.08 -2.05 -3.44 115.11 117.41 2qx1 h GLN 86 Ca -0.31 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 56.78 2qx1 h GLN 86 Cb 1.16 -0.19 -0.13 0.00 -0.05 0.00 0.00 27.48 28.27 2qx1 h GLN 86 CO 0.44 0.55 -0.11 -0.08 -0.95 0.00 0.00 178.83 178.67 2qx1 s THR 87 N -6.02 0.08 0.70 -0.54 -1.32 -1.26 -4.82 115.64 102.46 2qx1 s THR 87 Ca -0.12 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 59.60 2qx1 s THR 87 Cb 0.20 -1.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 2qx1 s THR 87 CO 0.79 -0.36 1.09 -2.16 -2.21 0.00 0.00 174.62 171.77 2qx1 s PRO 88 N -3.73 2.88 0.71 7.08 0.04 -1.26 -5.12 135.00 135.60 2qx1 s PRO 88 Ca 0.03 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 2qx1 s PRO 88 Cb 0.02 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2qx1 s PRO 88 CO -0.11 -1.01 1.15 -1.25 0.04 0.00 0.00 177.00 175.81 2qx1 s PRO 89 N -5.34 2.41 0.27 0.56 0.04 -1.26 -4.90 135.00 126.78 2qx1 s PRO 89 Ca 0.58 1.52 0.10 0.00 0.04 0.00 0.00 61.00 63.23 2qx1 s PRO 89 Cb -0.11 -1.89 0.35 0.00 0.04 0.00 0.00 34.50 32.89 2qx1 s PRO 89 CO 0.52 -1.57 1.61 0.00 0.04 0.00 0.00 177.00 177.59 2qx1 h ALA 90 N -0.28 0.97 -0.27 8.56 0.00 -1.95 -3.37 119.26 122.93 2qx1 h ALA 90 Ca -0.47 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 53.95 2qx1 h ALA 90 Cb 1.26 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2qx1 h ALA 90 CO 0.51 0.76 -0.20 0.00 0.00 0.00 0.00 179.25 180.33 2qx1 h ALA 91 N 1.36 -0.02 0.14 0.00 0.00 -1.90 0.42 119.26 119.25 2qx1 h ALA 91 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2qx1 h ALA 91 Cb 1.08 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2qx1 h ALA 91 CO 0.08 -0.61 -0.35 -1.35 0.00 0.00 0.00 179.25 177.03 2qx1 h PRO 92 N -0.18 -0.56 -0.93 0.00 0.11 -1.88 -0.54 132.00 128.02 2qx1 h PRO 92 Ca 0.15 0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.50 2qx1 h PRO 92 Cb 0.40 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.57 2qx1 h PRO 92 CO -0.37 -0.38 0.61 0.52 -0.21 0.00 0.00 178.00 178.17 2qx1 h MET 93 N -0.59 0.48 -0.14 1.05 2.86 -1.58 0.25 114.93 117.26 2qx1 h MET 93 Ca 0.03 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2qx1 h MET 93 Cb 0.61 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2qx1 h MET 93 CO -0.19 0.32 -0.05 0.28 1.06 0.00 0.00 176.91 178.33 2qx1 h VAL 94 N 0.49 1.30 -0.17 -2.22 2.07 -0.57 -1.09 116.25 116.06 2qx1 h VAL 94 Ca 0.50 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qx1 h VAL 94 Cb 1.12 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2qx1 h VAL 94 CO -0.22 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.78 2qx1 h ALA 95 N 0.69 0.22 -0.21 1.67 0.00 0.43 -2.51 119.26 119.54 2qx1 h ALA 95 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2qx1 h ALA 95 Cb 0.49 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2qx1 h ALA 95 CO 0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 179.25 178.66 2qx1 h ALA 96 N 1.06 -0.29 -0.92 0.00 0.00 -0.58 -1.86 119.26 116.67 2qx1 h ALA 96 Ca 0.06 0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.29 2qx1 h ALA 96 Cb -0.02 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2qx1 h ALA 96 CO -0.01 -0.76 0.66 0.77 0.00 0.00 0.00 179.25 179.91 2qx1 h SER 97 N -0.34 0.04 1.07 0.00 0.02 -0.77 0.97 113.55 114.54 2qx1 h SER 97 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2qx1 h SER 97 Cb 0.53 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2qx1 h SER 97 CO -0.40 0.01 -0.59 -0.07 -1.14 0.00 0.00 176.83 174.64 2qx1 h LEU 98 N 0.03 0.00 0.00 5.07 3.38 -1.03 -3.48 115.31 119.29 2qx1 h LEU 98 Ca 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2qx1 h LEU 98 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2qx1 h LEU 98 CO -0.02 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2qx1 n GLY 99 N 1.27 0.88 2.72 0.83 0.00 0.33 -4.68 105.19 106.54 2qx1 n GLY 99 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2qx1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 n ALA 100 N -1.60 6.12 -0.35 4.61 0.00 -0.82 -4.91 120.51 123.56 2qx1 n ALA 100 Ca 0.00 -4.48 0.28 0.00 0.00 0.00 0.00 53.44 49.24 2qx1 n ALA 100 Cb 0.00 -2.05 0.54 0.00 0.00 0.00 0.00 19.45 17.94 2qx1 n ALA 100 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qx1 h LYS 101 N 3.81 0.21 -0.20 0.00 3.64 -1.82 -2.84 116.57 119.38 2qx1 h LYS 101 Ca 0.53 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2qx1 h LYS 101 Cb 0.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2qx1 h LYS 101 CO 1.23 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 2qx1 n GLY 102 N -1.35 1.52 3.82 5.01 0.00 -1.26 -4.59 105.19 108.34 2qx1 n GLY 102 Ca 0.34 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2qx1 n GLY 102 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qx1 s ILE 103 N -0.94 4.03 0.70 -0.61 -4.36 -1.07 -5.02 121.20 113.92 2qx1 s ILE 103 Ca 0.17 0.70 -0.11 0.00 -0.26 0.00 0.00 60.65 61.15 2qx1 s ILE 103 Cb 0.10 -3.41 0.01 0.00 1.25 0.00 0.00 42.46 40.41 2qx1 s ILE 103 CO 0.14 -0.82 1.06 -1.48 0.24 0.00 0.00 174.94 174.08 2qx1 s LEU 104 N -5.39 3.06 0.00 0.37 0.05 -1.15 -4.86 118.68 110.76 2qx1 s LEU 104 Ca 0.59 1.52 0.00 0.00 0.05 0.00 0.00 54.13 56.28 2qx1 s LEU 104 Cb -0.14 -4.38 0.00 0.00 -2.05 0.00 0.00 46.19 39.62 2qx1 s LEU 104 CO 0.52 -1.42 0.00 0.61 -0.55 0.00 0.00 176.35 175.51 2qx1 n GLY 105 N -2.18 1.27 3.61 -3.48 0.00 -1.26 -0.67 105.19 102.48 2qx1 n GLY 105 Ca 0.07 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 2qx1 n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qx1 s PHE 106 N -2.00 -0.09 0.05 1.61 -0.71 -1.09 -4.81 117.98 110.95 2qx1 s PHE 106 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 56.93 55.78 2qx1 s PHE 106 Cb 0.00 0.53 -0.06 0.00 -1.21 0.00 0.00 43.02 42.29 2qx1 s PHE 106 CO 0.00 -0.25 0.41 -0.51 -1.34 0.00 0.00 175.22 173.52 2qx1 s ASP 107 N -2.60 6.71 -0.12 1.98 1.11 -1.26 -2.76 116.67 119.74 2qx1 s ASP 107 Ca 0.12 0.87 0.00 0.00 0.18 0.00 0.00 52.55 53.72 2qx1 s ASP 107 Cb 0.02 -2.21 0.02 0.00 1.07 0.00 0.00 42.92 41.82 2qx1 s ASP 107 CO -0.04 0.23 -0.11 -0.22 1.18 0.00 0.00 175.17 176.21 2qx1 s LEU 108 N -1.60 1.43 -0.22 1.23 0.20 -0.42 -5.00 118.68 114.31 2qx1 s LEU 108 Ca 0.30 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.76 2qx1 s LEU 108 Cb -0.15 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.68 2qx1 s LEU 108 CO 0.16 -0.07 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.58 2qx1 s SER 109 N 1.44 3.79 -0.37 3.68 0.01 -1.26 -3.05 113.70 117.94 2qx1 s SER 109 Ca 0.01 -0.82 0.12 0.00 1.31 0.00 0.00 55.95 56.57 2qx1 s SER 109 Cb -0.13 -1.56 0.41 0.00 0.21 0.00 0.00 66.02 64.94 2qx1 s SER 109 CO -0.07 -0.07 1.18 0.00 0.41 0.00 0.00 173.24 174.69 2qx1 n ALA 110 N 4.61 1.97 -0.77 1.44 0.00 -1.26 -5.03 120.51 121.47 2qx1 n ALA 110 Ca -0.18 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.21 2qx1 n ALA 110 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2qx1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx1 n GLY 111 N -0.33 2.41 0.28 0.00 0.00 -1.26 -2.59 105.19 103.70 2qx1 n GLY 111 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 2qx1 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 n ALA 113 N -2.49 1.86 0.14 0.00 0.00 -1.07 -3.81 120.51 115.14 2qx1 n ALA 113 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2qx1 n ALA 113 Cb 0.37 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 2qx1 n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qx1 h GLY 114 N 3.19 -0.29 0.67 0.00 0.00 -1.40 -3.04 103.07 102.20 2qx1 h GLY 114 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.51 2qx1 h GLY 114 CO 0.00 -0.12 0.40 -2.75 0.00 0.00 0.00 176.54 174.07 2qx1 h PHE 115 N -0.29 0.73 -0.30 5.60 3.57 -1.75 -1.85 116.94 122.65 2qx1 h PHE 115 Ca -0.02 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.58 2qx1 h PHE 115 Cb 0.24 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 2qx1 h PHE 115 CO -0.08 0.35 -0.22 0.78 -2.23 0.00 0.00 178.31 176.90 2qx1 h GLY 116 N 0.73 -0.06 1.16 2.40 0.00 -1.82 -0.50 103.07 104.97 2qx1 h GLY 116 Ca 0.32 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 2qx1 h GLY 116 CO -0.19 -0.20 0.44 -0.97 0.00 0.00 0.00 176.54 175.62 2qx1 h TYR 117 N -0.20 1.08 -0.25 5.60 0.05 -1.31 -2.22 116.97 119.73 2qx1 h TYR 117 Ca 0.16 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.75 2qx1 h TYR 117 Cb 0.44 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2qx1 h TYR 117 CO -0.41 0.75 -0.50 0.00 -1.05 0.00 0.00 178.16 176.95 2qx1 h ALA 118 N 1.37 0.40 -0.28 3.88 0.00 -0.81 0.22 119.26 124.04 2qx1 h ALA 118 Ca 0.28 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2qx1 h ALA 118 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2qx1 h ALA 118 CO -0.05 0.58 0.09 1.25 0.00 0.00 0.00 179.25 181.12 2qx1 h LEU 119 N 0.53 0.08 -1.05 0.00 5.85 -1.10 -1.17 115.31 118.45 2qx1 h LEU 119 Ca 0.01 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2qx1 h LEU 119 Cb 1.10 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2qx1 h LEU 119 CO 0.11 0.08 0.64 1.23 -0.34 0.00 0.00 178.44 180.16 2qx1 h GLY 120 N 0.21 1.44 1.68 3.75 0.00 -0.84 -1.36 103.07 107.95 2qx1 h GLY 120 Ca 0.12 -0.47 -0.23 0.00 0.00 0.00 0.00 47.33 46.75 2qx1 h GLY 120 CO -0.14 0.37 -1.02 0.00 0.00 0.00 0.00 176.54 175.75 2qx1 h ALA 121 N 1.45 0.33 0.26 3.60 0.00 -0.51 -2.51 119.26 121.88 2qx1 h ALA 121 Ca 0.40 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2qx1 h ALA 121 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qx1 h ALA 121 CO -0.14 0.93 -0.13 0.00 0.00 0.00 0.00 179.25 179.91 2qx1 h ALA 122 N 0.78 -0.35 0.01 0.00 0.00 -0.70 -0.87 119.26 118.13 2qx1 h ALA 122 Ca -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qx1 h ALA 122 Cb 1.69 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2qx1 h ALA 122 CO 0.16 -0.62 -0.01 0.00 0.00 0.00 0.00 179.25 178.79 2qx1 h ALA 123 N 0.19 -0.01 -0.98 0.00 0.00 -1.36 -1.93 119.26 115.16 2qx1 h ALA 123 Ca -0.04 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.06 2qx1 h ALA 123 Cb 0.38 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2qx1 h ALA 123 CO 0.06 -0.49 0.62 -0.44 0.00 0.00 0.00 179.25 179.00 2qx1 h ASP 124 N -0.05 0.61 -0.14 0.00 5.19 -1.40 0.08 116.42 120.72 2qx1 h ASP 124 Ca -0.00 0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.31 2qx1 h ASP 124 Cb 0.04 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.53 2qx1 h ASP 124 CO 0.00 0.21 -0.59 -0.03 -3.12 0.00 0.00 179.24 175.72 2qx1 h MET 125 N 0.59 0.64 -0.61 3.56 4.05 -0.82 -2.37 114.93 119.97 2qx1 h MET 125 Ca 0.55 -0.51 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 2qx1 h MET 125 Cb 1.08 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2qx1 h MET 125 CO -0.30 1.12 -0.00 0.82 0.23 0.00 0.00 176.91 178.78 2qx1 h ILE 126 N 0.30 1.27 -0.26 1.77 2.04 -0.54 -2.03 117.51 120.07 2qx1 h ILE 126 Ca -0.03 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 2qx1 h ILE 126 Cb 1.22 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2qx1 h ILE 126 CO 0.12 0.42 -0.20 0.03 0.00 0.00 0.00 178.15 178.53 2qx1 h ARG 127 N 0.98 0.47 0.00 2.37 3.08 -1.06 -2.37 114.38 117.85 2qx1 h ARG 127 Ca 0.17 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qx1 h ARG 127 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qx1 h ARG 127 CO 0.03 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 179.99 2qx1 n GLY 128 N -0.51 -1.08 2.12 0.04 0.00 -0.89 -0.78 105.19 104.09 2qx1 n GLY 128 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2qx1 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx1 n GLY 129 N 0.95 0.43 0.15 -0.02 0.00 -0.81 -3.84 105.19 102.04 2qx1 n GLY 129 Ca 0.16 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2qx1 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx1 n GLY 130 N -1.58 -0.82 3.60 -0.02 0.00 -0.89 -4.79 105.19 100.69 2qx1 n GLY 130 Ca -0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 2qx1 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 s ALA 131 N -2.78 -1.91 -0.19 4.61 0.00 -1.25 -5.00 121.76 115.24 2qx1 s ALA 131 Ca 0.15 1.72 0.14 0.00 0.00 0.00 0.00 51.96 53.98 2qx1 s ALA 131 Cb 0.18 -0.98 -0.22 0.00 0.00 0.00 0.00 23.12 22.10 2qx1 s ALA 131 CO 0.67 -0.29 0.02 0.00 0.00 0.00 0.00 175.76 176.16 2qx1 n ALA 132 N 1.58 1.54 -3.71 0.00 0.00 -1.26 -3.89 120.51 114.77 2qx1 n ALA 132 Ca -0.13 -1.18 -0.12 0.00 0.00 0.00 0.00 53.44 52.01 2qx1 n ALA 132 Cb 0.57 -0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 2qx1 n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qx1 s THR 133 N -2.45 -0.09 0.01 0.00 2.01 -1.26 -3.81 115.64 110.05 2qx1 s THR 133 Ca -0.12 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2qx1 s THR 133 Cb 0.06 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2qx1 s THR 133 CO 0.72 0.06 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.61 2qx1 s MET 134 N 1.45 0.47 -0.26 4.92 -1.94 0.13 -0.68 119.30 123.38 2qx1 s MET 134 Ca -0.08 -0.35 -0.18 0.00 -1.71 0.00 0.00 55.69 53.36 2qx1 s MET 134 Cb -0.10 -0.40 -0.03 0.00 2.01 0.00 0.00 34.83 36.32 2qx1 s MET 134 CO -0.10 0.10 0.53 -0.51 -0.01 0.00 0.00 175.02 175.03 2qx1 s LEU 135 N -0.53 4.06 -0.25 -0.03 1.43 -1.07 0.54 118.68 122.83 2qx1 s LEU 135 Ca -0.01 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2qx1 s LEU 135 Cb -0.04 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2qx1 s LEU 135 CO -0.00 -0.29 0.04 -0.69 0.23 0.00 0.00 176.35 175.64 2qx1 s VAL 136 N 2.29 3.89 -0.14 -1.59 1.01 -0.30 -1.77 120.40 123.78 2qx1 s VAL 136 Ca 0.22 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2qx1 s VAL 136 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2qx1 s VAL 136 CO 0.09 0.28 -0.19 0.54 0.00 0.00 0.00 175.10 175.82 2qx1 s VAL 137 N 1.53 2.30 -0.28 2.92 0.11 -0.65 -0.22 120.40 126.11 2qx1 s VAL 137 Ca 0.05 -0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 58.09 2qx1 s VAL 137 Cb -0.16 -1.94 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2qx1 s VAL 137 CO 0.01 0.54 0.18 -0.83 -3.33 0.00 0.00 175.10 171.67 2qx1 s GLY 138 N 0.79 1.92 0.04 6.54 0.00 0.25 -1.56 107.32 115.30 2qx1 s GLY 138 Ca -0.07 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.57 2qx1 s GLY 138 CO -0.01 0.65 -0.10 -1.08 0.00 0.00 0.00 173.10 172.56 2qx1 s THR 139 N 1.74 0.71 -0.21 0.90 -1.32 -1.17 -1.00 115.64 115.31 2qx1 s THR 139 Ca 0.07 -1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 59.45 2qx1 s THR 139 Cb -0.16 -0.72 0.08 0.00 -1.51 0.00 0.00 72.50 70.19 2qx1 s THR 139 CO 0.10 -0.23 0.48 -0.70 -2.21 0.00 0.00 174.62 172.07 2qx1 s GLU 140 N -1.35 0.45 -0.66 7.08 2.56 0.02 -4.44 118.70 122.37 2qx1 s GLU 140 Ca -0.05 0.98 0.05 0.00 0.00 0.00 0.00 54.97 55.95 2qx1 s GLU 140 Cb -0.09 0.16 0.16 0.00 2.00 0.00 0.00 34.13 36.36 2qx1 s GLU 140 CO 0.01 -0.18 0.44 0.21 -0.56 0.00 0.00 175.26 175.18 2qx1 s LYS 141 N 1.84 2.36 0.28 4.30 2.20 -1.26 -1.22 119.74 128.24 2qx1 s LYS 141 Ca -0.08 -3.17 0.22 0.00 -0.36 0.00 0.00 55.97 52.58 2qx1 s LYS 141 Cb -0.09 -3.41 0.11 0.00 -1.51 0.00 0.00 37.83 32.93 2qx1 s LYS 141 CO -0.15 -1.24 1.24 -0.07 -0.36 0.00 0.00 175.35 174.78 2qx1 h LEU 142 N 5.68 0.00 -0.96 5.43 3.38 -1.94 -3.40 115.31 123.50 2qx1 h LEU 142 Ca 0.09 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2qx1 h LEU 142 Cb 0.79 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.36 2qx1 h LEU 142 CO 0.71 0.09 -0.24 -1.20 0.09 0.00 0.00 178.44 177.89 2qx1 n SER 143 N -2.88 -0.35 0.17 -0.43 7.64 -1.26 -0.18 113.62 116.32 2qx1 n SER 143 Ca 0.01 1.66 0.13 0.00 1.01 0.00 0.00 58.87 61.68 2qx1 n SER 143 Cb 0.58 -0.50 0.54 0.00 -1.01 0.00 0.00 64.21 63.82 2qx1 n SER 143 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2qx1 h PRO 144 N 0.00 0.00 -0.01 1.43 0.11 -2.00 -2.66 132.00 128.87 2qx1 h PRO 144 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2qx1 h PRO 144 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2qx1 h PRO 144 CO -0.99 0.00 -0.17 0.25 -0.21 0.00 0.00 178.00 176.88 2qx1 n THR 145 N -2.47 0.00 -2.96 -1.15 -2.24 0.74 -4.88 114.28 101.33 2qx1 n THR 145 Ca 0.02 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2qx1 n THR 145 Cb 0.26 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 2qx1 n THR 145 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qx1 s ILE 146 N -2.48 4.83 -0.56 2.28 1.01 -1.01 0.23 121.20 125.51 2qx1 s ILE 146 Ca 0.27 1.27 -0.27 0.00 0.00 0.00 0.00 60.65 61.92 2qx1 s ILE 146 Cb 0.20 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2qx1 s ILE 146 CO 0.49 -0.17 1.57 -0.62 0.00 0.00 0.00 174.94 176.22 2qx1 s ASP 147 N 1.53 5.86 0.00 3.58 -1.08 -1.26 -4.87 116.67 120.43 2qx1 s ASP 147 Ca 0.32 0.37 0.07 0.00 -0.52 0.00 0.00 52.55 52.78 2qx1 s ASP 147 Cb -0.15 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.13 2qx1 s ASP 147 CO 0.11 -1.90 0.99 0.23 0.52 0.00 0.00 175.17 175.11 2qx1 n MET 148 N 8.83 0.14 -0.01 4.34 2.81 -1.26 -0.44 117.12 131.53 2qx1 n MET 148 Ca 0.15 0.14 0.11 0.00 -1.81 0.00 0.00 57.70 56.30 2qx1 n MET 148 Cb 0.50 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.61 2qx1 n MET 148 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2qx1 n TYR 149 N -1.18 0.02 -2.72 2.03 4.02 -1.26 -4.36 117.16 113.70 2qx1 n TYR 149 Ca 0.04 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2qx1 n TYR 149 Cb 0.04 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 2qx1 n TYR 149 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2qx1 s ASP 150 N -1.88 6.45 0.46 7.72 2.15 0.42 -4.83 116.67 127.16 2qx1 s ASP 150 Ca 0.27 -1.44 0.27 0.00 0.43 0.00 0.00 52.55 52.08 2qx1 s ASP 150 Cb 0.19 -2.49 1.46 0.00 -0.30 0.00 0.00 42.92 41.78 2qx1 s ASP 150 CO 0.29 -1.40 1.80 0.03 -0.17 0.00 0.00 175.17 175.72 2qx1 h ARG 151 N 9.49 0.00 0.00 4.34 3.08 -1.89 -0.30 114.38 129.10 2qx1 h ARG 151 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 2qx1 h ARG 151 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2qx1 h ARG 151 CO 1.27 0.00 -1.22 0.78 -1.07 0.00 0.00 179.97 179.73 2qx1 h GLY 152 N 0.00 0.00 0.00 0.04 0.00 -1.96 -3.44 103.07 97.71 2qx1 h GLY 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qx1 h GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2qx1 n ASN 153 N -3.12 0.00 0.30 0.19 0.23 -0.86 -4.92 115.26 107.07 2qx1 n ASN 153 Ca -0.07 -0.67 0.16 0.00 -0.53 0.00 0.00 54.58 53.47 2qx1 n ASN 153 Cb 0.91 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.44 2qx1 n ASN 153 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qx1 n PHE 155 N -2.78 0.33 -0.07 0.00 1.16 -1.26 -4.61 117.46 110.23 2qx1 n PHE 155 Ca -0.02 -0.16 -0.22 0.00 -1.87 0.00 0.00 57.45 55.17 2qx1 n PHE 155 Cb 0.28 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.03 2qx1 n PHE 155 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2qx1 n ILE 156 N 1.38 1.62 -3.36 1.97 2.08 0.13 -4.87 119.36 118.31 2qx1 n ILE 156 Ca 0.18 -0.27 -0.36 0.00 0.56 0.00 0.00 62.75 62.87 2qx1 n ILE 156 Cb 0.59 -1.92 -0.06 0.00 -0.75 0.00 0.00 39.64 37.50 2qx1 n ILE 156 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2qx1 s PHE 157 N -2.44 3.62 0.23 1.39 0.40 -1.26 -0.36 117.98 119.56 2qx1 s PHE 157 Ca -0.27 1.07 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 2qx1 s PHE 157 Cb 0.07 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 2qx1 s PHE 157 CO 0.64 0.45 0.25 0.00 0.70 0.00 0.00 175.22 177.26 2qx1 n ALA 158 N 0.89 0.18 -2.58 5.36 0.00 -0.63 -4.79 120.51 118.94 2qx1 n ALA 158 Ca -0.06 -1.20 -0.29 0.00 0.00 0.00 0.00 53.44 51.88 2qx1 n ALA 158 Cb 0.52 0.97 -0.10 0.00 0.00 0.00 0.00 19.45 20.84 2qx1 n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qx1 s ASP 159 N -2.51 4.40 0.00 0.00 -0.00 0.20 -4.07 116.67 114.69 2qx1 s ASP 159 Ca 0.23 -0.41 0.00 0.00 -0.00 0.00 0.00 52.55 52.37 2qx1 s ASP 159 Cb 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 42.92 42.09 2qx1 s ASP 159 CO 0.17 0.16 0.00 0.61 -0.00 0.00 0.00 175.17 176.11 2qx1 n GLY 160 N 0.58 1.53 3.16 0.21 0.00 -0.36 -4.64 105.19 105.68 2qx1 n GLY 160 Ca -0.13 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 2qx1 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 s ALA 161 N -1.88 -0.34 -0.20 4.61 0.00 -0.18 -0.80 121.76 122.97 2qx1 s ALA 161 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 2qx1 s ALA 161 Cb 0.00 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.42 2qx1 s ALA 161 CO 0.00 -0.33 0.51 0.00 0.00 0.00 0.00 175.76 175.94 2qx1 s ALA 162 N -2.33 -1.31 0.12 0.00 0.00 -0.17 -0.26 121.76 117.80 2qx1 s ALA 162 Ca -0.07 1.68 0.10 0.00 0.00 0.00 0.00 51.96 53.66 2qx1 s ALA 162 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2qx1 s ALA 162 CO -0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 175.76 175.24 2qx1 s ALA 163 N 0.96 2.58 0.20 0.00 0.00 0.12 -0.58 121.76 125.04 2qx1 s ALA 163 Ca -0.06 -1.38 0.11 0.00 0.00 0.00 0.00 51.96 50.63 2qx1 s ALA 163 Cb -0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2qx1 s ALA 163 CO -0.08 0.58 -0.18 0.14 0.00 0.00 0.00 175.76 176.21 2qx1 s VAL 164 N -1.11 2.65 -0.27 0.00 -7.23 0.69 -0.16 120.40 114.98 2qx1 s VAL 164 Ca 0.16 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2qx1 s VAL 164 Cb -0.10 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2qx1 s VAL 164 CO 0.09 -0.16 0.07 -0.69 -0.31 0.00 0.00 175.10 174.09 2qx1 s VAL 165 N -1.82 4.12 -0.16 1.32 1.01 -1.07 -1.15 120.40 122.64 2qx1 s VAL 165 Ca 0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2qx1 s VAL 165 Cb -0.08 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2qx1 s VAL 165 CO 0.12 0.24 0.13 -0.69 0.00 0.00 0.00 175.10 174.91 2qx1 s VAL 166 N 1.56 5.43 0.31 2.92 1.01 0.19 -0.70 120.40 131.12 2qx1 s VAL 166 Ca 0.05 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2qx1 s VAL 166 Cb -0.16 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.86 2qx1 s VAL 166 CO 0.03 0.53 0.88 -0.83 0.00 0.00 0.00 175.10 175.71 2qx1 s GLY 167 N -0.30 0.28 0.45 4.51 0.00 -1.12 0.18 107.32 111.31 2qx1 s GLY 167 Ca 0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 2qx1 s GLY 167 CO 0.01 0.73 1.38 1.85 0.00 0.00 0.00 173.10 177.07 2qx1 s GLU 168 N -2.24 3.71 0.12 2.90 2.12 -1.25 -1.56 118.70 122.50 2qx1 s GLU 168 Ca 0.18 2.31 0.04 0.00 0.36 0.00 0.00 54.97 57.86 2qx1 s GLU 168 Cb -0.04 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 2qx1 s GLU 168 CO 0.09 -0.76 -0.10 0.95 -0.54 0.00 0.00 175.26 174.90 2qx1 s THR 169 N -1.24 1.08 0.34 -1.70 -4.23 -0.38 -4.76 115.64 104.75 2qx1 s THR 169 Ca 0.61 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 2qx1 s THR 169 Cb -0.41 -1.61 0.28 0.00 1.34 0.00 0.00 72.50 72.09 2qx1 s THR 169 CO 0.53 -0.64 1.96 -0.65 -0.54 0.00 0.00 174.62 175.28 2qx1 h PRO 170 N 3.18 0.88 -5.13 3.99 0.11 -1.97 -3.43 132.00 129.63 2qx1 h PRO 170 Ca -0.37 -0.05 -0.36 0.00 0.11 0.00 0.00 66.00 65.32 2qx1 h PRO 170 Cb 1.19 -0.20 -0.20 0.00 0.11 0.00 0.00 31.00 31.90 2qx1 h PRO 170 CO 0.58 0.58 -0.75 -0.06 -0.21 0.00 0.00 178.00 178.14 2qx1 s PHE 171 N -5.78 1.13 0.21 0.65 0.08 -1.26 -4.99 117.98 108.02 2qx1 s PHE 171 Ca -0.10 -0.55 -0.32 0.00 0.12 0.00 0.00 56.93 56.08 2qx1 s PHE 171 Cb 0.19 -0.62 -0.14 0.00 -0.57 0.00 0.00 43.02 41.88 2qx1 s PHE 171 CO 0.78 0.04 1.39 0.94 -0.10 0.00 0.00 175.22 178.27 2qx1 n GLN 172 N 0.93 1.88 0.00 0.44 -0.06 -1.26 -4.69 117.38 114.62 2qx1 n GLN 172 Ca -0.19 0.67 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 2qx1 n GLN 172 Cb 0.56 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.42 2qx1 n GLN 172 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qx1 n GLY 173 N 2.35 0.70 2.72 1.69 0.00 -0.71 -4.89 105.19 107.05 2qx1 n GLY 173 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2qx1 n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qx1 s ILE 174 N -0.49 -0.19 1.00 -0.61 1.01 -1.11 -1.31 121.20 119.50 2qx1 s ILE 174 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 2qx1 s ILE 174 Cb 0.00 -0.38 0.19 0.00 0.01 0.00 0.00 42.46 42.28 2qx1 s ILE 174 CO 0.00 0.00 1.10 -0.83 0.00 0.00 0.00 174.94 175.22 2qx1 s GLY 175 N 2.23 1.56 0.97 6.18 0.00 0.22 -4.93 107.32 113.55 2qx1 s GLY 175 Ca 0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 2qx1 s GLY 175 CO -0.07 0.17 0.56 -1.05 0.00 0.00 0.00 173.10 172.72 2qx1 n PRO 176 N -4.14 -0.53 -3.35 2.90 -0.02 -1.26 -4.63 135.00 123.96 2qx1 n PRO 176 Ca 0.06 -0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 2qx1 n PRO 176 Cb 0.58 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 2qx1 n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2qx1 s THR 177 N -2.44 5.15 -0.15 3.45 2.01 -1.26 -4.56 115.64 117.84 2qx1 s THR 177 Ca 0.59 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 2qx1 s THR 177 Cb -0.21 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2qx1 s THR 177 CO 0.65 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.15 2qx1 s VAL 178 N 0.28 3.03 0.17 3.82 1.01 -0.24 -4.98 120.40 123.49 2qx1 s VAL 178 Ca 0.25 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2qx1 s VAL 178 Cb -0.15 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2qx1 s VAL 178 CO 0.11 0.51 0.29 0.00 0.00 0.00 0.00 175.10 176.00 2qx1 n ALA 179 N 3.83 -0.48 0.00 5.51 0.00 -1.26 0.71 120.51 128.83 2qx1 n ALA 179 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2qx1 n ALA 179 Cb 0.52 0.52 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2qx1 n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx1 n GLY 180 N -0.25 -1.65 3.73 0.00 0.00 -0.60 -4.98 105.19 101.45 2qx1 n GLY 180 Ca -0.02 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 2qx1 n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qx1 s SER 181 N -0.52 0.10 -0.45 1.61 1.04 -1.26 -1.12 113.70 113.10 2qx1 s SER 181 Ca 0.00 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.42 2qx1 s SER 181 Cb 0.00 0.76 0.18 0.00 0.10 0.00 0.00 66.02 67.05 2qx1 s SER 181 CO 0.00 -1.48 0.50 -0.62 0.98 0.00 0.00 173.24 172.63 2qx1 s ASP 182 N -3.06 0.19 0.57 7.02 3.68 0.14 -4.96 116.67 120.25 2qx1 s ASP 182 Ca 0.18 -2.41 0.31 0.00 2.13 0.00 0.00 52.55 52.76 2qx1 s ASP 182 Cb -0.04 0.61 1.74 0.00 -1.45 0.00 0.00 42.92 43.77 2qx1 s ASP 182 CO 0.12 -0.13 2.19 1.23 0.13 0.00 0.00 175.17 178.71 2qx1 h GLY 183 N 5.47 0.00 0.90 2.66 0.00 -1.80 -2.49 103.07 107.81 2qx1 h GLY 183 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.55 2qx1 h GLY 183 CO 0.21 0.00 0.61 0.83 0.00 0.00 0.00 176.54 178.19 2qx1 h GLU 184 N 0.00 1.09 -0.97 4.80 4.39 -1.95 -1.56 114.58 120.38 2qx1 h GLU 184 Ca -0.00 -0.07 -0.63 0.00 0.34 0.00 0.00 59.36 59.00 2qx1 h GLU 184 Cb 0.16 -0.25 -0.30 0.00 -0.10 0.00 0.00 28.75 28.27 2qx1 h GLU 184 CO 0.01 0.72 0.71 1.04 -1.16 0.00 0.00 179.01 180.33 2qx1 n GLN 185 N -4.46 2.66 0.30 2.33 6.02 -0.94 -4.61 117.38 118.67 2qx1 n GLN 185 Ca 0.13 -3.30 0.18 0.00 -0.01 0.00 0.00 57.00 54.00 2qx1 n GLN 185 Cb 0.14 -2.26 0.96 0.00 1.02 0.00 0.00 30.24 30.10 2qx1 n GLN 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qx1 h ALA 186 N 1.82 1.17 -0.39 -1.58 0.00 -1.33 -2.69 119.26 116.26 2qx1 h ALA 186 Ca 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2qx1 h ALA 186 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qx1 h ALA 186 CO 1.43 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 180.32 2qx1 n ASP 187 N -3.37 3.21 -0.14 0.00 3.85 -1.26 -4.29 116.55 114.55 2qx1 n ASP 187 Ca -0.02 -1.96 -0.11 0.00 -0.71 0.00 0.00 54.79 51.99 2qx1 n ASP 187 Cb 0.15 -0.25 -0.01 0.00 -1.35 0.00 0.00 41.12 39.66 2qx1 n ASP 187 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qx1 h ALA 188 N 4.42 0.58 -3.21 2.12 0.00 -1.84 -3.41 119.26 117.92 2qx1 h ALA 188 Ca 0.00 -0.33 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2qx1 h ALA 188 Cb 0.90 -0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.18 2qx1 h ALA 188 CO 0.00 0.47 -0.82 0.42 0.00 0.00 0.00 179.25 179.31 2qx1 s ILE 189 N -4.79 1.56 0.19 0.00 1.01 -1.26 -0.01 121.20 117.90 2qx1 s ILE 189 Ca -0.12 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2qx1 s ILE 189 Cb 0.11 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 41.07 2qx1 s ILE 189 CO 0.83 0.36 0.48 0.00 0.00 0.00 0.00 174.94 176.61 2qx1 s ARG 190 N 1.47 1.35 -0.12 2.79 1.70 -0.46 -4.18 118.95 121.50 2qx1 s ARG 190 Ca 0.03 -0.93 -0.20 0.00 -0.47 0.00 0.00 55.73 54.16 2qx1 s ARG 190 Cb -0.14 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2qx1 s ARG 190 CO -0.10 -0.56 0.58 -1.14 -1.08 0.00 0.00 175.30 172.99 2qx1 s GLN 191 N -3.89 4.34 0.33 3.89 0.74 -1.26 0.34 119.66 124.14 2qx1 s GLN 191 Ca 0.11 0.61 0.17 0.00 0.05 0.00 0.00 55.36 56.30 2qx1 s GLN 191 Cb -0.00 -3.47 0.26 0.00 1.10 0.00 0.00 33.01 30.90 2qx1 s GLN 191 CO -0.02 0.04 1.54 0.38 -0.55 0.00 0.00 175.29 176.68 2qx1 h ASP 192 N 6.90 0.00 -3.36 6.67 2.03 -1.92 -3.43 116.42 123.30 2qx1 h ASP 192 Ca -0.39 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.52 2qx1 h ASP 192 Cb 1.18 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.31 2qx1 h ASP 192 CO 0.76 0.41 -0.76 -0.63 -1.03 0.00 0.00 179.24 177.99 2qx1 s ILE 193 N -3.13 0.25 0.87 4.15 1.01 -1.26 -5.08 121.20 118.01 2qx1 s ILE 193 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 2qx1 s ILE 193 Cb 0.08 -0.39 0.11 0.00 0.01 0.00 0.00 42.46 42.28 2qx1 s ILE 193 CO 0.72 0.21 1.10 1.51 0.00 0.00 0.00 174.94 178.47 2qx1 s ASP 194 N 1.59 3.58 0.20 3.58 1.47 -1.26 -4.66 116.67 121.17 2qx1 s ASP 194 Ca -0.02 1.78 -0.04 0.00 1.18 0.00 0.00 52.55 55.45 2qx1 s ASP 194 Cb -0.13 -2.41 0.15 0.00 -0.34 0.00 0.00 42.92 40.20 2qx1 s ASP 194 CO -0.03 -2.61 1.57 -0.50 0.68 0.00 0.00 175.17 174.27 2qx1 h TRP 195 N -1.53 0.80 0.46 2.11 4.06 -2.00 -3.04 115.95 116.81 2qx1 h TRP 195 Ca -0.47 -0.23 -0.02 0.00 2.06 0.00 0.00 58.89 60.24 2qx1 h TRP 195 Cb 1.26 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2qx1 h TRP 195 CO 0.49 0.95 -0.22 0.82 -3.56 0.00 0.00 178.44 176.92 2qx1 h ILE 196 N 0.56 0.53 -0.74 1.49 1.08 -1.98 0.18 117.51 118.63 2qx1 h ILE 196 Ca 0.05 -0.24 0.15 0.00 -0.39 0.00 0.00 64.86 64.44 2qx1 h ILE 196 Cb 0.90 0.64 -0.14 0.00 -3.07 0.00 0.00 36.82 35.16 2qx1 h ILE 196 CO 0.08 0.04 -0.14 0.74 -0.69 0.00 0.00 178.15 178.18 2qx1 h THR 197 N -0.76 0.28 -0.70 -0.27 2.02 -1.96 0.10 112.91 111.63 2qx1 h THR 197 Ca -0.06 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2qx1 h THR 197 Cb 0.54 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2qx1 h THR 197 CO 0.10 0.00 0.24 0.15 0.37 0.00 0.00 175.52 176.39 2qx1 h PHE 198 N 0.02 1.07 0.00 3.16 3.57 -1.40 -2.64 116.94 120.73 2qx1 h PHE 198 Ca 0.37 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2qx1 h PHE 198 Cb 0.59 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2qx1 h PHE 198 CO -0.55 0.84 -0.33 0.00 -2.23 0.00 0.00 178.31 176.04 2qx1 h ALA 199 N 1.24 1.35 -0.01 2.41 0.00 0.18 -0.79 119.26 123.66 2qx1 h ALA 199 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qx1 h ALA 199 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qx1 h ALA 199 CO -0.01 0.41 -0.15 1.04 0.00 0.00 0.00 179.25 180.54 2qx1 n GLN 200 N -4.00 0.77 -3.12 0.00 6.02 -0.49 -4.17 117.38 112.40 2qx1 n GLN 200 Ca -0.02 -0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 56.46 2qx1 n GLN 200 Cb 0.38 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 2qx1 n GLN 200 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qx1 n ASN 201 N -0.82 0.20 -0.27 1.08 5.15 -0.43 -5.01 115.26 115.15 2qx1 n ASN 201 Ca 0.14 -3.05 -0.01 0.00 -0.60 0.00 0.00 54.58 51.07 2qx1 n ASN 201 Cb 0.30 -0.23 0.19 0.00 -0.53 0.00 0.00 39.78 39.51 2qx1 n ASN 201 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2qx1 h PRO 202 N 3.21 1.11 0.00 1.20 0.11 -1.37 -2.74 132.00 133.51 2qx1 h PRO 202 Ca 0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2qx1 h PRO 202 Cb 0.97 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qx1 h PRO 202 CO 0.44 0.74 0.00 0.45 -0.21 0.00 0.00 178.00 179.43 2qx1 n SER 202 N -4.40 0.00 -0.89 -2.05 2.88 -1.26 -4.78 113.62 103.11 2qx1 n SER 202 Ca 0.09 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2qx1 n SER 202 Cb 0.03 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2qx1 n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qx1 n GLY 202 N 0.62 1.14 3.74 0.46 0.00 -1.04 -5.02 105.19 105.09 2qx1 n GLY 202 Ca 0.14 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2qx1 n GLY 202 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qx1 n PRO 202 N -0.02 2.75 -3.62 1.61 -0.02 -1.26 -5.01 135.00 129.44 2qx1 n PRO 202 Ca 0.00 0.98 -0.28 0.00 -2.02 0.00 0.00 63.50 62.18 2qx1 n PRO 202 Cb 0.00 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 30.66 2qx1 n PRO 202 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2qx1 s ARG 202 N -0.07 3.55 0.46 -0.52 1.70 -1.26 -4.95 118.95 117.85 2qx1 s ARG 202 Ca 0.67 -0.26 -0.21 0.00 -0.47 0.00 0.00 55.73 55.46 2qx1 s ARG 202 Cb -0.49 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 31.00 2qx1 s ARG 202 CO 0.44 0.36 1.02 -2.14 -1.08 0.00 0.00 175.30 173.90 2qx1 s PRO 203 N -3.36 3.94 0.28 3.89 0.02 -1.26 -4.97 135.00 133.55 2qx1 s PRO 203 Ca 0.40 1.34 0.03 0.00 0.02 0.00 0.00 61.00 62.79 2qx1 s PRO 203 Cb -0.11 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 2qx1 s PRO 203 CO 0.29 -0.31 0.18 -0.06 -0.33 0.00 0.00 177.00 176.78 2qx1 s PHE 204 N -1.96 1.52 0.11 6.54 0.08 -1.26 -4.93 117.98 118.08 2qx1 s PHE 204 Ca 0.65 -1.45 -0.27 0.00 0.12 0.00 0.00 56.93 55.98 2qx1 s PHE 204 Cb -0.16 -0.74 -0.07 0.00 -0.57 0.00 0.00 43.02 41.48 2qx1 s PHE 204 CO 0.20 -0.65 0.83 0.54 -0.10 0.00 0.00 175.22 176.04 2qx1 s VAL 205 N -3.71 4.51 0.20 -0.44 0.11 0.14 -3.18 120.40 118.03 2qx1 s VAL 205 Ca 0.38 1.80 0.11 0.00 -2.93 0.00 0.00 61.98 61.34 2qx1 s VAL 205 Cb 0.05 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 2qx1 s VAL 205 CO 0.19 0.41 -0.22 -0.13 -3.33 0.00 0.00 175.10 172.01 2qx1 s ARG 206 N -0.46 1.58 -0.12 1.54 1.81 0.15 -4.71 118.95 118.75 2qx1 s ARG 206 Ca 0.40 -1.54 -0.07 0.00 -1.72 0.00 0.00 55.73 52.81 2qx1 s ARG 206 Cb -0.22 -1.86 0.05 0.00 -0.45 0.00 0.00 34.95 32.46 2qx1 s ARG 206 CO 0.26 0.39 0.28 -1.17 -0.68 0.00 0.00 175.30 174.39 2qx1 s LEU 207 N -2.79 0.38 -1.00 2.53 2.96 -1.25 -1.36 118.68 118.16 2qx1 s LEU 207 Ca 0.22 0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2qx1 s LEU 207 Cb -0.08 0.88 0.30 0.00 0.50 0.00 0.00 46.19 47.80 2qx1 s LEU 207 CO 0.11 -0.16 1.38 -0.62 -1.32 0.00 0.00 176.35 175.73 2qx1 n GLU 208 N 4.07 4.20 0.00 1.98 -0.58 0.99 -4.97 120.64 126.33 2qx1 n GLU 208 Ca -0.23 -4.59 0.00 0.00 -0.42 0.00 0.00 57.16 51.92 2qx1 n GLU 208 Cb 0.54 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 2qx1 n GLU 208 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qx1 n GLY 209 N 1.13 0.00 0.30 0.62 0.00 -1.26 -1.15 105.19 104.83 2qx1 n GLY 209 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2qx1 n GLY 209 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qx1 h PRO 210 N 0.00 -0.06 -0.57 1.61 0.11 -1.99 -1.20 132.00 129.92 2qx1 h PRO 210 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.22 2qx1 h PRO 210 Cb 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.04 2qx1 h PRO 210 CO 0.00 -0.04 0.11 0.00 -0.21 0.00 0.00 178.00 177.86 2qx1 h ALA 211 N 1.45 0.65 -0.20 -0.75 0.00 -1.56 0.37 119.26 119.21 2qx1 h ALA 211 Ca 0.30 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 2qx1 h ALA 211 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qx1 h ALA 211 CO -0.72 -0.32 -0.44 0.28 0.00 0.00 0.00 179.25 178.06 2qx1 h VAL 212 N 0.24 1.32 0.07 0.00 2.07 -1.21 0.54 116.25 119.27 2qx1 h VAL 212 Ca 0.29 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2qx1 h VAL 212 Cb 0.43 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2qx1 h VAL 212 CO -0.39 0.52 -0.19 0.15 0.02 0.00 0.00 177.57 177.68 2qx1 h PHE 213 N 0.34 -0.54 -0.85 1.57 3.57 -0.78 0.10 116.94 120.35 2qx1 h PHE 213 Ca 0.00 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.70 2qx1 h PHE 213 Cb 1.04 0.23 -0.16 0.00 2.79 0.00 0.00 35.95 39.85 2qx1 h PHE 213 CO 0.09 -0.22 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.72 2qx1 h ARG 214 N -0.28 0.02 0.37 1.11 2.43 -0.33 0.20 114.38 117.89 2qx1 h ARG 214 Ca -0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qx1 h ARG 214 Cb 0.28 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2qx1 h ARG 214 CO -0.09 0.01 -0.24 2.35 -1.51 0.00 0.00 179.97 180.49 2qx1 h TRP 215 N 0.02 -0.65 -0.37 2.20 7.01 -0.58 -3.18 115.95 120.40 2qx1 h TRP 215 Ca 0.44 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.47 2qx1 h TRP 215 Cb 0.72 0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.98 2qx1 h TRP 215 CO -0.60 -0.36 0.15 0.00 -2.79 0.00 0.00 178.44 174.84 2qx1 h ALA 216 N -1.51 0.44 -0.06 2.65 0.00 -0.31 -2.38 119.26 118.09 2qx1 h ALA 216 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qx1 h ALA 216 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qx1 h ALA 216 CO 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.12 2qx1 h ALA 217 N 1.22 1.56 0.00 0.00 0.00 -0.67 -2.37 119.26 119.01 2qx1 h ALA 217 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qx1 h ALA 217 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qx1 h ALA 217 CO -0.15 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.18 2qx1 n PHE 218 N -3.74 0.00 0.00 0.00 3.72 -1.13 -4.76 117.46 111.56 2qx1 n PHE 218 Ca -0.01 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2qx1 n PHE 218 Cb 0.17 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2qx1 n PHE 218 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qx1 n LYS 219 N -0.04 3.14 0.24 -1.08 4.76 -0.91 -4.68 118.16 119.59 2qx1 n LYS 219 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 2qx1 n LYS 219 Cb 0.03 -0.96 0.67 0.00 -1.84 0.00 0.00 35.03 32.93 2qx1 n LYS 219 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2qx1 h MET 220 N 0.00 0.00 0.24 1.97 2.86 -1.64 -3.03 114.93 115.33 2qx1 h MET 220 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2qx1 h MET 220 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 2qx1 h MET 220 CO 0.00 0.00 -0.30 0.78 1.06 0.00 0.00 176.91 178.45 2qx1 h GLY 221 N 1.93 -0.63 2.00 8.32 0.00 -1.83 -0.61 103.07 112.24 2qx1 h GLY 221 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 2qx1 h GLY 221 CO 0.00 -0.25 -0.34 -0.55 0.00 0.00 0.00 176.54 175.40 2qx1 h ASP 222 N -0.59 0.00 0.50 0.19 3.32 -1.87 -1.78 116.42 116.19 2qx1 h ASP 222 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2qx1 h ASP 222 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2qx1 h ASP 222 CO -0.10 0.34 -0.24 0.58 -1.72 0.00 0.00 179.24 178.10 2qx1 h VAL 223 N 0.00 0.51 -0.79 -1.35 2.07 -1.39 -0.05 116.25 115.25 2qx1 h VAL 223 Ca -0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2qx1 h VAL 223 Cb 0.89 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2qx1 h VAL 223 CO 0.04 0.01 0.49 1.23 0.02 0.00 0.00 177.57 179.36 2qx1 h GLY 224 N -0.69 1.14 0.54 2.17 0.00 -1.01 -1.71 103.07 103.51 2qx1 h GLY 224 Ca -0.07 -0.46 0.08 0.00 0.00 0.00 0.00 47.33 46.87 2qx1 h GLY 224 CO 0.11 0.45 0.30 3.21 0.00 0.00 0.00 176.54 180.61 2qx1 h ARG 225 N 1.08 0.52 -0.35 4.80 3.08 -1.19 0.40 114.38 122.72 2qx1 h ARG 225 Ca 0.28 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 2qx1 h ARG 225 Cb -0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2qx1 h ARG 225 CO -0.06 0.35 0.02 0.00 -1.07 0.00 0.00 179.97 179.21 2qx1 h ARG 226 N 0.54 0.54 -0.16 0.04 3.08 -0.44 -1.90 114.38 116.08 2qx1 h ARG 226 Ca 0.30 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2qx1 h ARG 226 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2qx1 h ARG 226 CO -0.24 0.55 -0.29 0.00 -1.07 0.00 0.00 179.97 178.92 2qx1 h ALA 227 N 1.51 1.22 0.00 0.04 0.00 -0.08 -2.44 119.26 119.51 2qx1 h ALA 227 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qx1 h ALA 227 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qx1 h ALA 227 CO 0.01 0.52 -0.35 0.52 0.00 0.00 0.00 179.25 179.94 2qx1 h MET 228 N 0.27 0.00 0.10 0.00 2.86 -1.00 -3.15 114.93 114.01 2qx1 h MET 228 Ca 0.04 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 2qx1 h MET 228 Cb 0.65 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.33 2qx1 h MET 228 CO 0.05 0.00 -0.69 0.22 1.06 0.00 0.00 176.91 177.55 2qx1 h ASP 229 N 0.00 0.42 -0.02 1.22 3.58 -0.94 -1.09 116.42 119.59 2qx1 h ASP 229 Ca 0.00 -0.93 -0.07 0.00 0.42 0.00 0.00 57.03 56.45 2qx1 h ASP 229 Cb 0.92 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2qx1 h ASP 229 CO 0.00 1.32 -0.18 0.00 -2.88 0.00 0.00 179.24 177.50 2qx1 h ALA 230 N 0.11 1.30 0.00 -0.78 0.00 -1.56 -2.42 119.26 115.90 2qx1 h ALA 230 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qx1 h ALA 230 Cb 1.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2qx1 h ALA 230 CO 0.13 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2qx1 n ALA 231 N -2.48 2.03 -2.58 0.00 0.00 -1.19 -4.68 120.51 111.60 2qx1 n ALA 231 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2qx1 n ALA 231 Cb 0.33 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.38 2qx1 n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx1 n GLY 232 N 0.78 0.15 3.37 0.00 0.00 -0.91 -5.02 105.19 103.55 2qx1 n GLY 232 Ca 0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 2qx1 n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qx1 s VAL 233 N -2.80 2.15 0.27 1.61 -7.23 -0.44 -5.05 120.40 108.90 2qx1 s VAL 233 Ca 0.13 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2qx1 s VAL 233 Cb -0.06 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2qx1 s VAL 233 CO 0.16 -0.01 0.45 -0.13 -0.31 0.00 0.00 175.10 175.26 2qx1 s ARG 234 N -2.22 3.50 0.26 4.82 0.52 -1.26 -4.36 118.95 120.19 2qx1 s ARG 234 Ca 0.14 -0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 2qx1 s ARG 234 Cb -0.09 -2.77 0.51 0.00 0.52 0.00 0.00 34.95 33.11 2qx1 s ARG 234 CO 0.07 0.30 1.65 -1.35 0.02 0.00 0.00 175.30 175.99 2qx1 h PRO 235 N 1.36 0.17 0.00 3.54 0.11 -1.89 0.17 132.00 135.46 2qx1 h PRO 235 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qx1 h PRO 235 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qx1 h PRO 235 CO 0.64 0.11 0.00 0.38 -0.21 0.00 0.00 178.00 178.92 2qx1 h ASP 236 N 0.18 0.00 0.45 -2.05 -0.00 -1.90 -2.77 116.42 110.32 2qx1 h ASP 236 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.48 2qx1 h ASP 236 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 2qx1 h ASP 236 CO -0.62 0.00 -0.54 0.00 -0.00 0.00 0.00 179.24 178.09 2qx1 n GLN 237 N -2.43 0.03 -2.75 4.15 6.02 0.05 -4.73 117.38 117.71 2qx1 n GLN 237 Ca -0.02 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 2qx1 n GLN 237 Cb 0.04 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 2qx1 n GLN 237 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qx1 s ILE 238 N -2.98 4.74 -0.10 5.09 -1.09 -1.05 -4.78 121.20 121.03 2qx1 s ILE 238 Ca 0.11 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.35 2qx1 s ILE 238 Cb 0.17 -4.23 -0.25 0.00 -1.58 0.00 0.00 42.46 36.57 2qx1 s ILE 238 CO 0.71 -0.15 0.45 0.47 -1.23 0.00 0.00 174.94 175.19 2qx1 n ASP 239 N 6.21 1.77 -3.98 3.58 8.00 -0.66 -4.71 116.55 126.76 2qx1 n ASP 239 Ca 0.09 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.56 2qx1 n ASP 239 Cb 0.47 -0.64 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 2qx1 n ASP 239 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qx1 s VAL 240 N -2.57 1.52 -0.18 2.53 1.01 0.09 0.14 120.40 122.94 2qx1 s VAL 240 Ca -0.17 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 2qx1 s VAL 240 Cb 0.07 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2qx1 s VAL 240 CO 0.79 0.23 0.41 0.12 0.00 0.00 0.00 175.10 176.64 2qx1 s PHE 241 N 1.47 3.41 -0.52 5.22 5.99 0.44 -0.58 117.98 133.40 2qx1 s PHE 241 Ca 0.01 0.68 0.03 0.00 0.00 0.00 0.00 56.93 57.65 2qx1 s PHE 241 Cb -0.15 -2.52 0.15 0.00 0.00 0.00 0.00 43.02 40.50 2qx1 s PHE 241 CO -0.09 0.05 0.33 0.08 -0.00 0.00 0.00 175.22 175.59 2qx1 s VAL 242 N 1.10 1.80 0.52 3.12 1.01 0.99 -0.93 120.40 128.00 2qx1 s VAL 242 Ca 0.20 -3.15 -0.16 0.00 0.00 0.00 0.00 61.98 58.87 2qx1 s VAL 242 Cb -0.15 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2qx1 s VAL 242 CO 0.08 -0.97 0.99 -2.16 0.00 0.00 0.00 175.10 173.04 2qx1 s PRO 243 N -0.29 3.87 0.28 2.72 0.04 -1.26 -2.46 135.00 137.90 2qx1 s PRO 243 Ca 0.22 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2qx1 s PRO 243 Cb -0.14 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.14 2qx1 s PRO 243 CO -0.08 -0.34 1.30 1.58 0.04 0.00 0.00 177.00 179.51 2qx1 n HIS 244 N -1.63 2.04 -2.28 0.56 -0.00 0.25 -4.79 115.22 109.37 2qx1 n HIS 244 Ca 0.07 0.52 -0.43 0.00 -0.00 0.00 0.00 57.72 57.88 2qx1 n HIS 244 Cb 0.54 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 2qx1 n HIS 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2qx1 n GLN 245 N 1.33 3.22 0.03 1.57 1.13 -1.26 -4.61 117.38 118.80 2qx1 n GLN 245 Ca 0.09 -3.21 -0.22 0.00 -1.94 0.00 0.00 57.00 51.72 2qx1 n GLN 245 Cb 0.33 -3.20 -0.14 0.00 0.11 0.00 0.00 30.24 27.34 2qx1 n GLN 245 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qx1 h ALA 246 N 6.47 0.19 0.00 -1.58 0.00 -1.92 -3.37 119.26 119.06 2qx1 h ALA 246 Ca 0.45 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2qx1 h ALA 246 Cb 0.73 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qx1 h ALA 246 CO 1.62 0.96 0.00 -1.71 0.00 0.00 0.00 179.25 180.11 2qx1 n ASN 247 N -3.75 0.00 -0.35 0.00 5.15 -1.26 -4.85 115.26 110.20 2qx1 n ASN 247 Ca -0.26 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.76 2qx1 n ASN 247 Cb 0.99 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 40.45 2qx1 n ASN 247 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2qx1 h SER 248 N 0.00 0.97 0.12 1.20 0.02 -0.83 -2.56 113.55 112.48 2qx1 h SER 248 Ca 0.00 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2qx1 h SER 248 Cb 0.00 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2qx1 h SER 248 CO 0.00 0.60 -0.23 0.03 -1.14 0.00 0.00 176.83 176.09 2qx1 h ARG 249 N 1.09 -0.41 -0.53 3.45 -0.00 -1.87 0.55 114.38 116.67 2qx1 h ARG 249 Ca 0.44 0.03 0.11 0.00 -0.50 0.00 0.00 59.98 60.05 2qx1 h ARG 249 Cb 0.26 0.09 -0.09 0.00 0.00 0.00 0.00 29.97 30.23 2qx1 h ARG 249 CO -0.19 -0.28 -0.05 0.82 0.00 0.00 0.00 179.97 180.28 2qx1 h ILE 250 N -0.43 0.54 -0.66 2.04 2.04 -1.87 -2.25 117.51 116.92 2qx1 h ILE 250 Ca 0.03 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 2qx1 h ILE 250 Cb 0.45 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2qx1 h ILE 250 CO -0.12 0.01 0.11 0.78 0.00 0.00 0.00 178.15 178.93 2qx1 h ASN 251 N 0.07 1.03 -0.87 1.72 2.35 -1.10 -1.48 115.58 117.30 2qx1 h ASN 251 Ca 0.26 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2qx1 h ASN 251 Cb 0.41 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2qx1 h ASN 251 CO -0.48 1.01 0.57 -0.33 -1.65 0.00 0.00 177.43 176.55 2qx1 h GLU 252 N 1.01 1.09 -0.13 0.81 5.08 -0.54 -0.28 114.58 121.63 2qx1 h GLU 252 Ca 0.20 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2qx1 h GLU 252 Cb 0.42 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2qx1 h GLU 252 CO 0.01 0.72 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.33 2qx1 h LEU 253 N 1.13 0.27 -0.22 1.33 3.38 -0.99 -2.33 115.31 117.88 2qx1 h LEU 253 Ca 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qx1 h LEU 253 Cb -0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qx1 h LEU 253 CO -0.09 0.60 0.01 -0.07 0.09 0.00 0.00 178.44 178.99 2qx1 h LEU 254 N 0.23 0.36 -0.38 1.67 3.38 -0.75 -0.96 115.31 118.87 2qx1 h LEU 254 Ca 0.03 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2qx1 h LEU 254 Cb 0.72 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2qx1 h LEU 254 CO 0.05 0.57 -0.11 0.58 0.09 0.00 0.00 178.44 179.62 2qx1 h VAL 255 N 0.15 0.58 -0.20 1.22 2.07 -0.87 0.23 116.25 119.44 2qx1 h VAL 255 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2qx1 h VAL 255 Cb 0.37 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2qx1 h VAL 255 CO 0.01 0.00 0.03 0.50 0.02 0.00 0.00 177.57 178.13 2qx1 h LYS 256 N -0.03 0.33 -0.86 1.57 1.63 -1.40 -2.94 116.57 114.87 2qx1 h LYS 256 Ca 0.18 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 2qx1 h LYS 256 Cb 0.31 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.85 2qx1 h LYS 256 CO -0.40 0.48 0.56 -0.97 -3.45 0.00 0.00 179.45 175.67 2qx1 h ASN 257 N 0.12 0.96 0.60 4.20 -0.73 -0.54 -2.12 115.58 118.07 2qx1 h ASN 257 Ca 0.06 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2qx1 h ASN 257 Cb 0.31 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2qx1 h ASN 257 CO 0.00 0.68 0.00 0.18 -0.37 0.00 0.00 177.43 177.93 2qx1 n LEU 258 N -4.51 0.03 -3.61 0.34 4.77 0.77 -4.90 117.00 109.89 2qx1 n LEU 258 Ca 0.10 0.51 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 2qx1 n LEU 258 Cb 0.04 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2qx1 n LEU 258 CO 0.35 -0.22 0.08 0.00 -1.33 0.00 0.00 177.39 176.28 2qx1 n GLN 259 N -1.54 -6.20 -1.66 3.23 1.13 -0.80 -4.83 117.38 106.72 2qx1 n GLN 259 Ca 0.04 0.74 -0.30 0.00 -1.94 0.00 0.00 57.00 55.54 2qx1 n GLN 259 Cb 0.20 -5.60 0.08 0.00 0.11 0.00 0.00 30.24 25.03 2qx1 n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qx1 s LEU 260 N -6.77 2.70 0.56 1.08 1.43 -1.23 -4.42 118.68 112.03 2qx1 s LEU 260 Ca 0.20 1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 54.36 2qx1 s LEU 260 Cb -0.09 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 2qx1 s LEU 260 CO 0.77 -1.77 1.02 0.54 0.23 0.00 0.00 176.35 177.15 2qx1 n ARG 261 N -3.30 1.10 -0.05 1.70 1.74 -1.26 -4.89 116.66 111.70 2qx1 n ARG 261 Ca 0.07 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2qx1 n ARG 261 Cb 0.56 -2.19 0.52 0.00 -1.02 0.00 0.00 32.46 30.33 2qx1 n ARG 261 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qx1 h PRO 262 N 0.84 0.36 -0.12 5.56 0.11 -2.00 -2.48 132.00 134.27 2qx1 h PRO 262 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qx1 h PRO 262 Cb 1.35 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qx1 h PRO 262 CO 0.53 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 2qx1 n ASP 263 N -4.47 2.27 -4.69 -2.05 5.75 -1.26 -4.96 116.55 107.13 2qx1 n ASP 263 Ca 0.09 -1.77 -0.40 0.00 -0.01 0.00 0.00 54.79 52.70 2qx1 n ASP 263 Cb 0.35 -0.07 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2qx1 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qx1 n ALA 263 N 0.74 1.17 -2.70 2.12 0.00 -0.94 -4.95 120.51 115.95 2qx1 n ALA 263 Ca 0.17 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 2qx1 n ALA 263 Cb 0.46 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 2qx1 n ALA 263 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qx1 s VAL 264 N -1.24 5.12 -0.17 0.00 1.01 0.12 -4.95 120.40 120.29 2qx1 s VAL 264 Ca 0.63 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.73 2qx1 s VAL 264 Cb -0.49 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2qx1 s VAL 264 CO 0.56 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 175.03 2qx1 s VAL 265 N 0.99 2.12 0.11 2.92 1.01 -1.26 -0.42 120.40 125.87 2qx1 s VAL 265 Ca 0.29 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 2qx1 s VAL 265 Cb -0.16 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 2qx1 s VAL 265 CO 0.12 0.54 1.79 0.00 0.00 0.00 0.00 175.10 177.54 2qx1 s ALA 266 N 1.19 3.74 -0.31 5.51 0.00 -0.11 -4.91 121.76 126.87 2qx1 s ALA 266 Ca 0.02 1.38 0.19 0.00 0.00 0.00 0.00 51.96 53.55 2qx1 s ALA 266 Cb -0.14 -3.75 0.47 0.00 0.00 0.00 0.00 23.12 19.70 2qx1 s ALA 266 CO -0.10 -1.20 0.97 -1.71 0.00 0.00 0.00 175.76 173.72 2qx1 n ASN 267 N 5.70 1.47 0.27 0.00 4.05 -1.26 -4.73 115.26 120.76 2qx1 n ASN 267 Ca 0.17 -2.63 0.18 0.00 0.45 0.00 0.00 54.58 52.75 2qx1 n ASN 267 Cb 0.39 -0.52 0.80 0.00 1.23 0.00 0.00 39.78 41.68 2qx1 n ASN 267 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2qx1 h ASP 268 N 2.95 0.00 -0.13 1.20 3.58 -1.92 -3.04 116.42 119.06 2qx1 h ASP 268 Ca -0.10 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.38 2qx1 h ASP 268 Cb 1.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2qx1 h ASP 268 CO 0.46 0.00 0.13 -0.29 -2.88 0.00 0.00 179.24 176.66 2qx1 h ILE 269 N 0.00 0.60 -0.95 2.25 2.10 -1.90 -2.97 117.51 116.63 2qx1 h ILE 269 Ca 0.00 0.00 0.19 0.00 1.08 0.00 0.00 64.86 66.13 2qx1 h ILE 269 Cb 0.33 0.90 -0.11 0.00 -1.09 0.00 0.00 36.82 36.85 2qx1 h ILE 269 CO 0.00 0.00 0.53 -0.08 -1.08 0.00 0.00 178.15 177.52 2qx1 h GLU 270 N 0.00 0.64 0.00 2.19 4.81 -1.62 0.25 114.58 120.84 2qx1 h GLU 270 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2qx1 h GLU 270 Cb 0.32 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2qx1 h GLU 270 CO -0.00 0.42 -0.22 0.72 -0.73 0.00 0.00 179.01 179.19 2qx1 n HIS 271 N -4.85 0.00 0.00 0.92 8.25 -1.19 -0.57 115.22 117.78 2qx1 n HIS 271 Ca 0.22 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2qx1 n HIS 271 Cb 0.57 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2qx1 n HIS 271 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2qx1 n THR 272 N -0.76 0.00 -3.09 1.59 -1.04 -1.03 -4.07 114.28 105.88 2qx1 n THR 272 Ca 0.08 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2qx1 n THR 272 Cb 0.66 0.41 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 2qx1 n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qx1 n GLY 273 N 0.93 0.45 3.52 3.41 0.00 0.05 -4.47 105.19 109.08 2qx1 n GLY 273 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2qx1 n GLY 273 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qx1 s ASN 274 N -4.00 6.35 -0.41 1.61 3.84 0.51 -4.59 114.94 118.26 2qx1 s ASN 274 Ca 0.00 -0.27 0.05 0.00 0.21 0.00 0.00 52.86 52.85 2qx1 s ASN 274 Cb 0.00 -2.34 0.59 0.00 -0.55 0.00 0.00 41.25 38.95 2qx1 s ASN 274 CO 0.00 -0.84 1.75 0.35 -2.79 0.00 0.00 177.10 175.57 2qx1 n THR 275 N 5.96 2.99 0.00 -5.21 -2.24 -1.26 -1.60 114.28 112.92 2qx1 n THR 275 Ca -0.00 -2.37 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 2qx1 n THR 275 Cb 0.48 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2qx1 n THR 275 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2qx1 n SER 276 N -1.11 0.00 0.14 3.42 2.88 -1.26 -0.74 113.62 116.95 2qx1 n SER 276 Ca 0.50 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 2qx1 n SER 276 Cb 1.35 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 65.34 2qx1 n SER 276 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qx1 n ALA 277 N 9.94 1.34 0.16 -1.46 0.00 -1.25 -1.67 120.51 127.58 2qx1 n ALA 277 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2qx1 n ALA 277 Cb 0.00 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.19 2qx1 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qx1 h ALA 278 N 2.13 0.76 0.26 0.00 0.00 -1.10 -3.38 119.26 117.93 2qx1 h ALA 278 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qx1 h ALA 278 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qx1 h ALA 278 CO 0.00 0.04 -0.25 0.77 0.00 0.00 0.00 179.25 179.81 2qx1 h SER 279 N 0.00 -0.68 -0.47 0.00 0.02 -1.34 -1.48 113.55 109.60 2qx1 h SER 279 Ca -0.00 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2qx1 h SER 279 Cb 1.02 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 2qx1 h SER 279 CO 0.00 -0.34 -0.47 0.40 -1.14 0.00 0.00 176.83 175.29 2qx1 h ILE 280 N -0.51 0.00 -0.17 3.27 2.04 -1.83 0.46 117.51 120.76 2qx1 h ILE 280 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2qx1 h ILE 280 Cb 0.44 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2qx1 h ILE 280 CO -0.02 0.00 -0.07 1.55 0.00 0.00 0.00 178.15 179.61 2qx1 h PRO 281 N -0.25 0.26 -0.48 2.37 0.13 -1.85 0.16 132.00 132.35 2qx1 h PRO 281 Ca 0.08 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2qx1 h PRO 281 Cb 0.45 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 2qx1 h PRO 281 CO -0.57 0.35 0.19 -0.07 -0.23 0.00 0.00 178.00 177.67 2qx1 h LEU 282 N 0.26 0.62 0.37 1.56 3.38 -0.21 -2.13 115.31 119.15 2qx1 h LEU 282 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qx1 h LEU 282 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qx1 h LEU 282 CO 0.01 0.56 -0.18 0.00 0.09 0.00 0.00 178.44 178.93 2qx1 h ALA 283 N 1.53 -0.50 -0.89 1.53 0.00 0.19 -1.54 119.26 119.58 2qx1 h ALA 283 Ca 0.16 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.14 2qx1 h ALA 283 Cb 0.14 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.97 2qx1 h ALA 283 CO -0.02 -0.63 0.18 0.52 0.00 0.00 0.00 179.25 179.30 2qx1 h MET 284 N -0.80 0.14 -0.37 0.00 2.86 -0.62 0.10 114.93 116.24 2qx1 h MET 284 Ca -0.05 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2qx1 h MET 284 Cb 0.53 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2qx1 h MET 284 CO 0.08 0.09 0.12 0.00 1.06 0.00 0.00 176.91 178.27 2qx1 h ALA 285 N 1.83 0.48 -0.29 6.32 0.00 -1.20 -2.49 119.26 123.89 2qx1 h ALA 285 Ca 0.56 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.36 2qx1 h ALA 285 Cb 1.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2qx1 h ALA 285 CO -0.72 0.11 0.02 1.49 0.00 0.00 0.00 179.25 180.15 2qx1 h GLU 286 N 0.44 0.11 -0.54 0.00 4.22 0.23 0.93 114.58 119.97 2qx1 h GLU 286 Ca 0.12 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 2qx1 h GLU 286 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2qx1 h GLU 286 CO -0.01 0.07 0.21 -0.07 -2.18 0.00 0.00 179.01 177.03 2qx1 h LEU 287 N 0.11 0.76 0.05 1.64 3.38 -1.33 -0.45 115.31 119.47 2qx1 h LEU 287 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qx1 h LEU 287 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qx1 h LEU 287 CO -0.22 0.73 -0.02 -0.07 0.09 0.00 0.00 178.44 178.95 2qx1 h LEU 288 N 0.74 -0.05 -0.71 1.67 3.38 -1.14 0.20 115.31 119.39 2qx1 h LEU 288 Ca 0.18 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2qx1 h LEU 288 Cb 0.22 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2qx1 h LEU 288 CO -0.01 0.07 0.33 0.74 0.09 0.00 0.00 178.44 179.65 2qx1 h THR 289 N -0.17 0.79 -0.00 0.22 2.02 -0.70 -1.55 112.91 113.52 2qx1 h THR 289 Ca -0.01 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2qx1 h THR 289 Cb 0.15 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2qx1 h THR 289 CO 0.01 0.10 -0.03 0.35 0.37 0.00 0.00 175.52 176.32 2qx1 n THR 290 N -4.91 0.00 -1.51 3.16 -2.24 -0.19 -4.89 114.28 103.70 2qx1 n THR 290 Ca 0.11 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 2qx1 n THR 290 Cb 0.31 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 2qx1 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qx1 n GLY 291 N 1.17 1.27 0.07 3.38 0.00 -0.58 -4.88 105.19 105.62 2qx1 n GLY 291 Ca 0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2qx1 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 h ALA 292 N 0.08 0.39 -2.08 4.61 0.00 -0.89 -3.45 119.26 117.91 2qx1 h ALA 292 Ca -0.30 -1.02 -0.55 0.00 0.00 0.00 0.00 54.91 53.04 2qx1 h ALA 292 Cb 0.96 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2qx1 h ALA 292 CO 0.42 1.27 -0.60 0.00 0.00 0.00 0.00 179.25 180.34 2qx1 s ALA 293 N -2.68 3.29 -0.02 0.00 0.00 -0.78 -4.95 121.76 116.63 2qx1 s ALA 293 Ca -0.01 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.28 2qx1 s ALA 293 Cb 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2qx1 s ALA 293 CO 0.83 0.18 -0.17 0.15 0.00 0.00 0.00 175.76 176.75 2qx1 s LYS 294 N -3.74 1.45 0.03 0.00 1.02 -1.26 -4.42 119.74 112.82 2qx1 s LYS 294 Ca 0.34 -0.61 -0.36 0.00 0.02 0.00 0.00 55.97 55.36 2qx1 s LYS 294 Cb -0.05 -1.37 -0.15 0.00 -0.52 0.00 0.00 37.83 35.74 2qx1 s LYS 294 CO 0.21 0.35 1.54 -2.30 -0.92 0.00 0.00 175.35 174.22 2qx1 n PRO 295 N 2.74 1.57 0.00 -1.68 -0.02 -1.26 -0.95 135.00 135.40 2qx1 n PRO 295 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2qx1 n PRO 295 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2qx1 n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qx1 n GLY 296 N 3.26 1.47 3.58 -1.23 0.00 -0.12 -4.90 105.19 107.24 2qx1 n GLY 296 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 2qx1 n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qx1 n ASP 297 N 0.00 1.17 -4.72 1.61 10.43 -0.13 -4.43 116.55 120.48 2qx1 n ASP 297 Ca 0.00 1.18 -0.42 0.00 2.57 0.00 0.00 54.79 58.12 2qx1 n ASP 297 Cb 0.00 -1.27 -0.03 0.00 1.84 0.00 0.00 41.12 41.66 2qx1 n ASP 297 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2qx1 s LEU 298 N 0.57 4.40 0.05 0.64 2.96 -1.26 -0.56 118.68 125.48 2qx1 s LEU 298 Ca 0.59 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.61 2qx1 s LEU 298 Cb -0.71 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.37 2qx1 s LEU 298 CO 0.60 -0.41 -0.15 0.00 -1.32 0.00 0.00 176.35 175.07 2qx1 s ALA 299 N 0.65 1.23 -0.17 5.97 0.00 0.75 -0.73 121.76 129.46 2qx1 s ALA 299 Ca 0.56 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 2qx1 s ALA 299 Cb -0.30 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2qx1 s ALA 299 CO 0.31 0.23 -0.15 -1.17 0.00 0.00 0.00 175.76 174.98 2qx1 s LEU 300 N -1.25 2.42 -0.18 0.00 2.96 0.25 -1.58 118.68 121.30 2qx1 s LEU 300 Ca 0.02 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2qx1 s LEU 300 Cb -0.08 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2qx1 s LEU 300 CO 0.02 0.04 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.28 2qx1 s LEU 301 N 1.08 3.07 -0.19 -0.68 1.43 -0.18 -0.01 118.68 123.19 2qx1 s LEU 301 Ca -0.00 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2qx1 s LEU 301 Cb -0.14 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.36 2qx1 s LEU 301 CO -0.05 0.08 -0.10 -0.63 0.23 0.00 0.00 176.35 175.89 2qx1 s ILE 302 N 0.87 1.57 -0.15 -0.59 1.01 -1.03 -1.63 121.20 121.25 2qx1 s ILE 302 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 2qx1 s ILE 302 Cb -0.15 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2qx1 s ILE 302 CO 0.01 0.17 0.19 -0.83 0.00 0.00 0.00 174.94 174.48 2qx1 s GLY 303 N 1.43 2.15 -0.05 6.18 0.00 0.38 0.86 107.32 118.27 2qx1 s GLY 303 Ca -0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 44.72 43.97 2qx1 s GLY 303 CO -0.08 0.03 0.35 -2.52 0.00 0.00 0.00 173.10 170.87 2qx1 s TYR 304 N -0.19 -0.27 -1.39 1.90 -0.85 -1.26 -2.26 117.35 113.02 2qx1 s TYR 304 Ca 0.13 0.52 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 2qx1 s TYR 304 Cb -0.12 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.34 2qx1 s TYR 304 CO 0.02 -0.34 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 2qx1 n GLY 305 N 1.73 -0.57 3.58 5.49 0.00 -1.10 -4.44 105.19 109.87 2qx1 n GLY 305 Ca -0.19 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2qx1 n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 s ALA 306 N -1.00 0.48 0.00 4.61 0.00 -1.26 -2.08 121.76 122.50 2qx1 s ALA 306 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2qx1 s ALA 306 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2qx1 s ALA 306 CO 0.00 -3.33 0.00 0.41 0.00 0.00 0.00 175.76 172.84 2qx1 n GLY 307 N 0.55 1.57 2.71 0.00 0.00 -1.26 -2.58 105.19 106.18 2qx1 n GLY 307 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2qx1 n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qx1 n LEU 308 N 0.00 -7.44 -3.97 0.99 4.77 -0.88 -4.06 117.00 106.40 2qx1 n LEU 308 Ca 0.00 0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 56.40 2qx1 n LEU 308 Cb 0.00 -3.19 -0.15 0.00 -2.33 0.00 0.00 43.42 37.75 2qx1 n LEU 308 CO 0.00 -2.28 -0.42 -0.44 -1.33 0.00 0.00 177.39 172.92 2qx1 s SER 309 N -2.32 1.03 -0.03 -1.43 0.01 -1.05 0.27 113.70 110.18 2qx1 s SER 309 Ca 0.19 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.33 2qx1 s SER 309 Cb -0.05 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2qx1 s SER 309 CO 0.70 0.05 -0.10 -0.72 0.41 0.00 0.00 173.24 173.58 2qx1 s TYR 310 N 0.23 1.06 -0.02 2.43 -0.85 -0.27 -2.71 117.35 117.21 2qx1 s TYR 310 Ca -0.03 -0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 2qx1 s TYR 310 Cb -0.08 -0.75 -0.00 0.00 0.38 0.00 0.00 41.96 41.51 2qx1 s TYR 310 CO 0.00 -0.11 -0.09 0.00 -1.52 0.00 0.00 175.55 173.83 2qx1 s ALA 311 N 0.17 0.83 -0.08 9.51 0.00 -0.96 -1.55 121.76 129.68 2qx1 s ALA 311 Ca -0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 2qx1 s ALA 311 Cb -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2qx1 s ALA 311 CO 0.01 0.17 0.26 0.00 0.00 0.00 0.00 175.76 176.19 2qx1 s ALA 312 N -0.02 -0.64 0.13 0.00 0.00 0.22 -0.47 121.76 120.99 2qx1 s ALA 312 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2qx1 s ALA 312 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2qx1 s ALA 312 CO 0.00 -0.16 0.28 1.14 0.00 0.00 0.00 175.76 177.02 2qx1 s GLN 313 N -0.25 1.05 -0.15 0.00 0.00 -0.65 -1.08 119.66 118.59 2qx1 s GLN 313 Ca -0.04 -1.03 -0.09 0.00 -0.00 0.00 0.00 55.36 54.20 2qx1 s GLN 313 Cb -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 33.01 33.32 2qx1 s GLN 313 CO 0.01 -0.38 0.16 0.08 0.00 0.00 0.00 175.29 175.16 2qx1 s VAL 314 N -3.91 5.44 0.15 3.63 1.01 -1.26 -1.01 120.40 124.44 2qx1 s VAL 314 Ca 0.11 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2qx1 s VAL 314 Cb 0.03 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2qx1 s VAL 314 CO -0.05 0.54 0.09 0.68 0.00 0.00 0.00 175.10 176.35 2qx1 s VAL 315 N -0.41 0.08 0.04 2.92 -7.23 -0.61 0.70 120.40 115.88 2qx1 s VAL 315 Ca 0.13 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 2qx1 s VAL 315 Cb -0.12 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 2qx1 s VAL 315 CO 0.02 -0.35 0.39 -0.13 -0.31 0.00 0.00 175.10 174.72 2qx1 s ARG 316 N -4.07 3.81 0.48 4.82 0.52 -0.43 -0.18 118.95 123.91 2qx1 s ARG 316 Ca 0.27 0.26 -0.24 0.00 -0.52 0.00 0.00 55.73 55.50 2qx1 s ARG 316 Cb 0.07 -3.09 -0.07 0.00 0.52 0.00 0.00 34.95 32.38 2qx1 s ARG 316 CO 0.04 0.62 1.40 -1.64 0.02 0.00 0.00 175.30 175.74 2qx1 s MET 317 N -1.54 3.54 0.00 3.54 -1.94 0.27 -4.53 119.30 118.64 2qx1 s MET 317 Ca 0.29 2.34 0.00 0.00 -1.71 0.00 0.00 55.69 56.61 2qx1 s MET 317 Cb -0.15 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.15 2qx1 s MET 317 CO 0.16 -0.91 0.00 -0.35 -0.01 0.00 0.00 175.02 173.91 2qx1 n PRO 317 N -0.43 2.76 -0.31 2.03 -0.04 -1.26 -0.95 135.00 136.79 2qx1 n PRO 317 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2qx1 n PRO 317 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2qx1 n PRO 317 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63