#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx1 s THR -9 N 0.00 -0.80 0.16 3.17 -1.32 -1.26 -5.16 115.64 110.43 2qx1 s THR -9 Ca 0.00 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 2qx1 s THR -9 Cb 0.00 -0.85 -0.07 0.00 -1.51 0.00 0.00 72.50 70.07 2qx1 s THR -9 CO 0.00 -0.00 0.91 -1.83 -2.21 0.00 0.00 174.62 171.49 2qx1 s GLU -8 N 2.72 4.72 -0.17 7.08 -1.05 -1.26 -5.04 118.70 125.70 2qx1 s GLU -8 Ca 0.05 1.39 -0.24 0.00 -0.15 0.00 0.00 54.97 56.02 2qx1 s GLU -8 Cb -0.13 -3.32 -0.02 0.00 -0.44 0.00 0.00 34.13 30.22 2qx1 s GLU -8 CO -0.17 0.38 0.79 0.42 0.95 0.00 0.00 175.26 177.63 2qx1 s ILE -7 N -0.60 4.91 0.42 1.83 1.01 -1.26 -5.03 121.20 122.48 2qx1 s ILE -7 Ca 0.42 1.54 -0.25 0.00 0.00 0.00 0.00 60.65 62.37 2qx1 s ILE -7 Cb -0.24 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 2qx1 s ILE -7 CO 0.30 0.05 1.08 0.00 0.00 0.00 0.00 174.94 176.36 2qx1 n ALA -6 N 5.16 0.46 -3.25 9.38 0.00 -1.26 -4.99 120.51 126.00 2qx1 n ALA -6 Ca 0.03 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 2qx1 n ALA -6 Cb 0.49 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 17.68 2qx1 n ALA -6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qx1 s THR -5 N -1.25 3.84 0.29 0.00 2.01 -1.26 -5.11 115.64 114.17 2qx1 s THR -5 Ca 0.63 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.06 2qx1 s THR -5 Cb -0.55 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.08 2qx1 s THR -5 CO 0.57 0.20 0.18 0.35 -0.69 0.00 0.00 174.62 175.22 2qx1 n THR -4 N 4.85 0.00 -3.50 -0.82 -2.24 -1.26 -5.16 114.28 106.14 2qx1 n THR -4 Ca -0.16 -1.21 -0.16 0.00 -2.27 0.00 0.00 64.05 60.25 2qx1 n THR -4 Cb 0.49 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 2qx1 n THR -4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qx1 s SER -3 N -2.71 -0.60 0.00 3.42 0.15 -1.26 -4.94 113.70 107.77 2qx1 s SER -3 Ca 0.13 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2qx1 s SER -3 Cb -0.01 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2qx1 s SER -3 CO 0.09 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2qx1 n GLY -2 N 0.50 4.14 3.77 9.45 0.00 -0.00 -4.55 105.19 118.49 2qx1 n GLY -2 Ca -0.18 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.27 2qx1 n GLY -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 s ALA -1 N -2.00 3.46 -0.25 4.61 0.00 -1.24 -4.83 121.76 121.50 2qx1 s ALA -1 Ca 0.00 1.15 0.21 0.00 0.00 0.00 0.00 51.96 53.32 2qx1 s ALA -1 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2qx1 s ALA -1 CO 0.00 -0.50 1.19 0.00 0.00 0.00 0.00 175.76 176.45 2qx1 h ARG 1 N 3.48 0.00 -4.99 0.00 2.47 -1.91 -3.34 114.38 110.08 2qx1 h ARG 1 Ca -0.48 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.59 2qx1 h ARG 1 Cb 1.22 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 2qx1 h ARG 1 CO 0.66 0.12 -0.61 -1.12 0.56 0.00 0.00 179.97 179.57 2qx1 s SER 2 N -5.78 5.23 0.02 7.04 0.01 -1.26 -4.93 113.70 114.04 2qx1 s SER 2 Ca 0.01 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2qx1 s SER 2 Cb 0.08 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2qx1 s SER 2 CO 0.76 -0.01 -0.06 0.68 0.41 0.00 0.00 173.24 175.02 2qx1 s VAL 3 N 1.46 0.41 0.31 3.43 -7.23 -1.26 -1.32 120.40 116.20 2qx1 s VAL 3 Ca 0.06 -0.73 -0.06 0.00 -1.81 0.00 0.00 61.98 59.44 2qx1 s VAL 3 Cb -0.15 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.34 2qx1 s VAL 3 CO 0.04 -0.22 0.47 -0.83 -0.31 0.00 0.00 175.10 174.24 2qx1 s GLY 4 N -1.02 1.16 -0.62 2.32 0.00 0.22 -0.17 107.32 109.20 2qx1 s GLY 4 Ca -0.06 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.10 2qx1 s GLY 4 CO 0.00 -0.89 1.01 1.08 0.00 0.00 0.00 173.10 174.30 2qx1 s LEU 5 N -3.16 4.06 0.27 0.66 1.43 -1.26 -1.85 118.68 118.83 2qx1 s LEU 5 Ca 0.28 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2qx1 s LEU 5 Cb -0.00 -2.63 0.36 0.00 0.03 0.00 0.00 46.19 43.95 2qx1 s LEU 5 CO 0.16 -1.41 1.82 -0.07 0.23 0.00 0.00 176.35 177.08 2qx1 h LEU 6 N 11.45 0.84 -7.17 1.79 3.38 -0.33 -3.37 115.31 121.90 2qx1 h LEU 6 Ca -0.27 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.67 2qx1 h LEU 6 Cb 1.07 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2qx1 h LEU 6 CO 1.16 0.79 0.46 -0.94 0.09 0.00 0.00 178.44 180.01 2qx1 s SER 7 N -6.53 -0.34 0.10 -0.43 1.04 -1.24 -2.50 113.70 103.80 2qx1 s SER 7 Ca -0.10 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.31 2qx1 s SER 7 Cb 0.16 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 2qx1 s SER 7 CO 0.81 -0.73 -0.23 0.54 0.98 0.00 0.00 173.24 174.61 2qx1 s VAL 8 N -3.23 1.89 -0.03 5.02 0.11 -1.26 -1.96 120.40 120.95 2qx1 s VAL 8 Ca 0.06 -1.56 -0.00 0.00 -2.93 0.00 0.00 61.98 57.55 2qx1 s VAL 8 Cb -0.01 -1.69 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 2qx1 s VAL 8 CO -0.06 0.04 0.03 -0.83 -3.33 0.00 0.00 175.10 170.94 2qx1 s GLY 9 N -1.84 0.15 0.17 6.54 0.00 -0.43 -4.49 107.32 107.42 2qx1 s GLY 9 Ca 0.09 0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.14 2qx1 s GLY 9 CO 0.04 0.79 0.01 0.00 0.00 0.00 0.00 173.10 173.94 2qx1 s ALA 10 N 1.24 3.24 -0.06 3.20 0.00 -1.26 -1.37 121.76 126.74 2qx1 s ALA 10 Ca -0.07 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2qx1 s ALA 10 Cb -0.13 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.00 2qx1 s ALA 10 CO -0.03 0.49 0.12 -0.47 0.00 0.00 0.00 175.76 175.87 2qx1 s TYR 11 N -1.72 -0.09 -0.12 0.00 5.04 -0.18 -4.74 117.35 115.53 2qx1 s TYR 11 Ca 0.28 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.38 2qx1 s TYR 11 Cb -0.09 -0.30 0.01 0.00 0.35 0.00 0.00 41.96 41.93 2qx1 s TYR 11 CO 0.19 -0.22 -0.19 1.03 -1.34 0.00 0.00 175.55 175.02 2qx1 s ARG 12 N 2.01 2.66 0.80 4.97 0.52 -1.26 -1.63 118.95 127.02 2qx1 s ARG 12 Ca 0.01 -0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 54.35 2qx1 s ARG 12 Cb -0.12 -2.18 0.02 0.00 0.52 0.00 0.00 34.95 33.19 2qx1 s ARG 12 CO -0.05 -0.03 0.76 -2.30 0.02 0.00 0.00 175.30 173.70 2qx1 n PRO 13 N 4.10 0.15 0.13 3.54 -0.02 -1.26 -4.92 135.00 136.72 2qx1 n PRO 13 Ca -0.20 0.11 0.01 0.00 -2.02 0.00 0.00 63.50 61.41 2qx1 n PRO 13 Cb 0.51 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2qx1 n PRO 13 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qx1 h GLU 14 N -0.80 0.00 -6.24 -0.52 4.11 -1.99 -3.44 114.58 105.70 2qx1 h GLU 14 Ca -0.45 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.42 2qx1 h GLU 14 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2qx1 h GLU 14 CO 0.42 0.55 1.05 0.50 0.07 0.00 0.00 179.01 181.60 2qx1 s ARG 15 N -2.93 4.09 -0.22 1.06 6.06 -1.25 -5.00 118.95 120.75 2qx1 s ARG 15 Ca 0.04 1.90 -0.13 0.00 -2.50 0.00 0.00 55.73 55.04 2qx1 s ARG 15 Cb 0.08 -3.94 -0.05 0.00 0.06 0.00 0.00 34.95 31.10 2qx1 s ARG 15 CO 0.75 -0.94 0.25 0.08 -2.50 0.00 0.00 175.30 172.95 2qx1 s VAL 16 N 4.22 5.30 -0.42 7.11 1.01 -1.26 -2.13 120.40 134.22 2qx1 s VAL 16 Ca 0.68 0.39 0.02 0.00 0.00 0.00 0.00 61.98 63.06 2qx1 s VAL 16 Cb -0.28 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.63 2qx1 s VAL 16 CO 0.25 0.31 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 2qx1 s VAL 17 N 1.15 2.69 1.04 2.92 1.01 0.16 -4.97 120.40 124.40 2qx1 s VAL 17 Ca 0.12 -2.59 -0.12 0.00 0.00 0.00 0.00 61.98 59.39 2qx1 s VAL 17 Cb -0.14 -2.90 0.21 0.00 0.00 0.00 0.00 36.38 33.55 2qx1 s VAL 17 CO 0.06 -0.69 1.07 0.42 0.00 0.00 0.00 175.10 175.96 2qx1 s THR 18 N 0.56 2.18 0.45 3.92 -4.23 -1.26 -1.71 115.64 115.55 2qx1 s THR 18 Ca 0.12 0.06 0.19 0.00 -1.18 0.00 0.00 61.69 60.89 2qx1 s THR 18 Cb -0.22 -2.25 0.22 0.00 1.34 0.00 0.00 72.50 71.60 2qx1 s THR 18 CO -0.05 -0.08 2.03 0.78 -0.54 0.00 0.00 174.62 176.76 2qx1 h ASN 19 N -2.16 0.00 -0.47 3.99 4.21 -1.86 -2.63 115.58 116.65 2qx1 h ASN 19 Ca -0.54 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 56.85 2qx1 h ASN 19 Cb 1.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.49 2qx1 h ASN 19 CO 0.50 0.15 -0.16 0.44 -1.29 0.00 0.00 177.43 177.08 2qx1 h ASP 20 N 0.00 0.96 0.19 5.81 5.19 -1.91 0.26 116.42 126.91 2qx1 h ASP 20 Ca -0.00 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 2qx1 h ASP 20 Cb 0.31 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2qx1 h ASP 20 CO 0.02 1.12 -0.09 -0.08 -3.12 0.00 0.00 179.24 177.09 2qx1 h GLU 21 N 0.79 -0.24 0.05 3.56 4.81 -1.88 -2.17 114.58 119.50 2qx1 h GLU 21 Ca 0.11 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2qx1 h GLU 21 Cb 0.72 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 2qx1 h GLU 21 CO 0.06 0.05 -0.30 0.82 -0.73 0.00 0.00 179.01 178.90 2qx1 h ILE 22 N -0.52 0.34 0.00 2.32 1.08 -1.40 -3.22 117.51 116.10 2qx1 h ILE 22 Ca -0.03 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.36 2qx1 h ILE 22 Cb 0.40 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2qx1 h ILE 22 CO 0.04 0.00 -0.41 0.00 -0.69 0.00 0.00 178.15 177.09 2qx1 n GLN 24 N -3.47 0.13 0.00 0.00 -0.00 -0.82 -1.53 117.38 111.69 2qx1 n GLN 24 Ca 0.00 0.44 0.10 0.00 -0.00 0.00 0.00 57.00 57.55 2qx1 n GLN 24 Cb 0.56 -1.78 -0.09 0.00 -0.00 0.00 0.00 30.24 28.92 2qx1 n GLN 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2qx1 n HIS 25 N -2.03 0.00 -2.24 2.61 8.25 -1.19 -4.88 115.22 115.74 2qx1 n HIS 25 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2qx1 n HIS 25 Cb 0.15 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2qx1 n HIS 25 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qx1 n ILE 26 N -1.48 0.00 -3.90 1.59 5.41 -0.58 -4.74 119.36 115.65 2qx1 n ILE 26 Ca 0.04 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.49 2qx1 n ILE 26 Cb 0.33 -0.25 -0.15 0.00 -0.71 0.00 0.00 39.64 38.86 2qx1 n ILE 26 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2qx1 s ASP 27 N 0.21 4.32 0.00 4.38 1.11 -1.25 -4.96 116.67 120.49 2qx1 s ASP 27 Ca 0.00 -1.76 0.00 0.00 0.18 0.00 0.00 52.55 50.97 2qx1 s ASP 27 Cb 0.00 -1.27 0.00 0.00 1.07 0.00 0.00 42.92 42.72 2qx1 s ASP 27 CO 0.00 -0.36 0.00 -0.24 1.18 0.00 0.00 175.17 175.75 2qx1 n SER 28 N 4.55 2.31 -3.52 0.27 2.88 -1.26 -5.12 113.62 113.73 2qx1 n SER 28 Ca -0.02 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.44 2qx1 n SER 28 Cb 0.42 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.78 -0.35 0.11 -3.46 1.04 -1.26 -5.00 113.70 106.57 2qx1 s SER 29 Ca 0.00 0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.22 2qx1 s SER 29 Cb 0.00 0.35 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 2qx1 s SER 29 CO 0.00 -0.55 1.46 -0.78 0.98 0.00 0.00 173.24 174.35 2qx1 h ASP 30 N 2.08 -1.62 -0.56 7.02 3.58 -1.97 -2.53 116.42 122.43 2qx1 h ASP 30 Ca -0.20 0.22 0.11 0.00 0.42 0.00 0.00 57.03 57.57 2qx1 h ASP 30 Cb 1.22 0.67 -0.11 0.00 1.72 0.00 0.00 39.33 42.84 2qx1 h ASP 30 CO 0.30 -0.30 -0.24 -0.08 -2.88 0.00 0.00 179.24 176.04 2qx1 h GLU 31 N -0.26 -0.10 -1.00 0.28 4.57 -1.98 -1.82 114.58 114.27 2qx1 h GLU 31 Ca 0.08 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2qx1 h GLU 31 Cb 0.46 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 2qx1 h GLU 31 CO -0.56 -0.07 0.66 2.35 -1.18 0.00 0.00 179.01 180.21 2qx1 h TRP 32 N -0.10 1.22 -0.10 0.92 7.01 -1.86 -1.46 115.95 121.59 2qx1 h TRP 32 Ca 0.25 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.21 2qx1 h TRP 32 Cb 0.50 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2qx1 h TRP 32 CO -0.55 0.68 -0.24 0.82 -2.79 0.00 0.00 178.44 176.37 2qx1 h ILE 33 N 1.24 1.40 -0.74 2.65 1.08 -1.17 -3.17 117.51 118.80 2qx1 h ILE 33 Ca 0.41 -1.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.36 2qx1 h ILE 33 Cb 0.05 2.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 2qx1 h ILE 33 CO -0.14 0.45 0.49 0.22 -0.69 0.00 0.00 178.15 178.48 2qx1 h TYR 34 N -0.12 0.88 0.00 1.37 5.03 -0.67 -2.56 116.97 120.90 2qx1 h TYR 34 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2qx1 h TYR 34 Cb 0.84 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2qx1 h TYR 34 CO 0.11 0.52 -0.71 1.79 -1.32 0.00 0.00 178.16 178.55 2qx1 h THR 35 N 0.92 0.00 0.00 1.81 1.35 -1.37 -2.05 112.91 113.57 2qx1 h THR 35 Ca 0.29 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qx1 h THR 35 Cb 0.03 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2qx1 h THR 35 CO -0.08 0.00 -1.65 0.54 -0.25 0.00 0.00 175.52 174.07 2qx1 n ARG 36 N -2.60 0.58 0.00 4.72 1.74 -1.12 -4.75 116.66 115.22 2qx1 n ARG 36 Ca 0.02 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2qx1 n ARG 36 Cb 0.52 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.28 0.00 0.00 0.55 -2.24 -0.98 -4.69 114.28 104.64 2qx1 n THR 37 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2qx1 n THR 37 Cb 0.54 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.19 0.47 3.76 3.38 0.00 -0.77 0.13 105.19 114.36 2qx1 n GLY 38 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.47 0.03 -0.61 1.01 -1.26 -3.76 121.20 119.08 2qx1 s ILE 39 Ca 0.00 1.72 -0.03 0.00 0.00 0.00 0.00 60.65 62.34 2qx1 s ILE 39 Cb 0.00 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2qx1 s ILE 39 CO 0.00 0.46 -0.07 0.29 0.00 0.00 0.00 174.94 175.63 2qx1 n LYS 40 N 2.01 0.10 -4.30 2.79 4.76 -0.58 -3.78 118.16 119.17 2qx1 n LYS 40 Ca -0.04 0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2qx1 n LYS 40 Cb 0.49 -0.63 -0.10 0.00 -1.84 0.00 0.00 35.03 32.95 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 -2.05 1.30 0.08 -0.18 -4.23 -1.12 -2.42 115.64 107.02 2qx1 s THR 41 Ca -0.05 -2.10 -0.07 0.00 -1.18 0.00 0.00 61.69 58.29 2qx1 s THR 41 Cb 0.01 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2qx1 s THR 41 CO 0.08 -0.61 0.14 0.00 -0.54 0.00 0.00 174.62 173.69 2qx1 s ARG 42 N -3.74 0.79 -0.18 3.99 3.03 -0.70 -3.42 118.95 118.72 2qx1 s ARG 42 Ca 0.21 -1.02 -0.06 0.00 2.03 0.00 0.00 55.73 56.89 2qx1 s ARG 42 Cb 0.02 0.31 -0.04 0.00 -1.03 0.00 0.00 34.95 34.22 2qx1 s ARG 42 CO 0.04 -0.23 0.03 1.03 -1.13 0.00 0.00 175.30 175.04 2qx1 s ARG 43 N -3.86 3.87 0.03 3.89 1.81 -1.26 0.38 118.95 123.81 2qx1 s ARG 43 Ca 0.05 -0.40 0.05 0.00 -1.72 0.00 0.00 55.73 53.71 2qx1 s ARG 43 Cb 0.06 -3.12 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 2qx1 s ARG 43 CO -0.11 0.25 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.62 2qx1 s PHE 44 N 0.41 2.82 0.42 -0.53 0.40 -0.91 -1.62 117.98 118.97 2qx1 s PHE 44 Ca 0.01 -0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 2qx1 s PHE 44 Cb -0.13 -1.55 -0.07 0.00 0.51 0.00 0.00 43.02 41.77 2qx1 s PHE 44 CO 0.01 0.37 0.82 0.00 0.70 0.00 0.00 175.22 177.13 2qx1 s ALA 45 N -1.05 3.26 0.95 5.36 0.00 -1.26 -3.95 121.76 125.07 2qx1 s ALA 45 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 2qx1 s ALA 45 Cb -0.11 -2.84 0.16 0.00 0.00 0.00 0.00 23.12 20.33 2qx1 s ALA 45 CO 0.09 0.01 1.09 0.00 0.00 0.00 0.00 175.76 176.94 2qx1 s ALA 46 N -2.35 1.23 0.22 0.00 0.00 -1.26 -4.97 121.76 114.63 2qx1 s ALA 46 Ca 0.54 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 2qx1 s ALA 46 Cb -0.10 -3.18 0.18 0.00 0.00 0.00 0.00 23.12 20.03 2qx1 s ALA 46 CO 0.28 -2.61 1.84 -0.44 0.00 0.00 0.00 175.76 174.82 2qx1 h ASP 47 N -1.73 1.07 0.72 0.00 5.19 -2.06 -2.71 116.42 116.90 2qx1 h ASP 47 Ca -0.52 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2qx1 h ASP 47 Cb 1.30 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2qx1 h ASP 47 CO 0.55 0.88 -0.05 -0.90 -3.12 0.00 0.00 179.24 176.60 2qx1 n ASP 48 N -4.36 0.10 -4.81 6.45 5.75 -1.26 -4.86 116.55 113.56 2qx1 n ASP 48 Ca 0.09 0.06 -0.35 0.00 -0.01 0.00 0.00 54.79 54.58 2qx1 n ASP 48 Cb 0.11 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.77 4.30 0.31 0.11 2.02 -1.02 -5.03 118.70 116.61 2qx1 s GLU 49 Ca 0.21 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.26 2qx1 s GLU 49 Cb 0.20 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2qx1 s GLU 49 CO 0.51 0.21 0.12 -1.54 0.02 0.00 0.00 175.26 174.57 2qx1 s SER 50 N -1.90 1.80 0.38 -0.19 1.04 -1.26 -4.89 113.70 108.69 2qx1 s SER 50 Ca 0.52 -1.49 0.09 0.00 0.48 0.00 0.00 55.95 55.55 2qx1 s SER 50 Cb -0.14 0.25 0.74 0.00 0.10 0.00 0.00 66.02 66.97 2qx1 s SER 50 CO 0.19 -0.79 1.90 0.00 0.98 0.00 0.00 173.24 175.51 2qx1 h ALA 51 N 2.17 1.46 -0.15 5.32 0.00 -1.88 -0.43 119.26 125.75 2qx1 h ALA 51 Ca -0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2qx1 h ALA 51 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2qx1 h ALA 51 CO 0.59 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 180.19 2qx1 h ALA 52 N 1.61 0.21 0.46 0.00 0.00 -1.95 0.69 119.26 120.28 2qx1 h ALA 52 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2qx1 h ALA 52 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qx1 h ALA 52 CO 0.02 -0.05 -0.22 0.66 0.00 0.00 0.00 179.25 179.66 2qx1 h SER 53 N 0.00 -0.52 -0.88 0.00 4.64 -1.88 0.55 113.55 115.46 2qx1 h SER 53 Ca 0.04 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 2qx1 h SER 53 Cb 0.43 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 2qx1 h SER 53 CO 0.01 -0.35 0.55 0.24 -0.87 0.00 0.00 176.83 176.41 2qx1 h MET 54 N -0.65 0.97 -0.92 4.77 0.00 -1.15 -1.22 114.93 116.73 2qx1 h MET 54 Ca -0.06 -0.06 0.04 0.00 0.00 0.00 0.00 59.70 59.62 2qx1 h MET 54 Cb 0.49 -0.22 -0.06 0.00 0.00 0.00 0.00 31.60 31.82 2qx1 h MET 54 CO 0.10 0.64 0.59 0.00 0.00 0.00 0.00 176.91 178.25 2qx1 h ALA 55 N 1.41 1.22 0.16 6.32 0.00 -0.67 -1.09 119.26 126.62 2qx1 h ALA 55 Ca 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2qx1 h ALA 55 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qx1 h ALA 55 CO -0.17 0.43 -0.08 1.15 0.00 0.00 0.00 179.25 180.58 2qx1 h THR 56 N 1.13 0.90 -0.38 0.00 2.02 0.25 -1.54 112.91 115.28 2qx1 h THR 56 Ca 0.37 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.34 2qx1 h THR 56 Cb 0.05 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2qx1 h THR 56 CO -0.13 0.06 0.25 -0.08 0.37 0.00 0.00 175.52 175.99 2qx1 h GLU 57 N -0.33 0.43 -0.01 6.66 4.57 -1.07 -1.67 114.58 123.16 2qx1 h GLU 57 Ca -0.02 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2qx1 h GLU 57 Cb 0.26 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2qx1 h GLU 57 CO 0.04 0.28 -0.00 0.00 -1.18 0.00 0.00 179.01 178.15 2qx1 h ALA 58 N 1.77 0.01 -0.07 2.92 0.00 -0.98 -3.10 119.26 119.81 2qx1 h ALA 58 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qx1 h ALA 58 Cb 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2qx1 h ALA 58 CO -0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 179.25 178.61 2qx1 h ARG 60 N -0.42 0.29 0.11 0.00 3.08 -1.32 0.28 114.38 116.40 2qx1 h ARG 60 Ca 0.08 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.87 2qx1 h ARG 60 Cb 0.54 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.55 2qx1 h ARG 60 CO -0.31 0.19 -1.01 0.00 -1.07 0.00 0.00 179.97 177.77 2qx1 h ARG 61 N 0.29 0.49 -0.27 0.04 3.08 -1.32 -1.31 114.38 115.38 2qx1 h ARG 61 Ca 0.59 -0.67 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2qx1 h ARG 61 Cb 1.68 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.93 2qx1 h ARG 61 CO -0.23 1.29 0.12 0.00 -1.07 0.00 0.00 179.97 180.08 2qx1 h ALA 62 N 0.23 0.32 -0.55 0.04 0.00 -0.45 0.48 119.26 119.32 2qx1 h ALA 62 Ca -0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qx1 h ALA 62 Cb 1.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2qx1 h ALA 62 CO 0.19 -0.27 0.32 -0.07 0.00 0.00 0.00 179.25 179.42 2qx1 h LEU 63 N 0.27 0.50 0.15 0.00 3.38 -1.07 0.71 115.31 119.25 2qx1 h LEU 63 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qx1 h LEU 63 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qx1 h LEU 63 CO -0.09 0.35 -0.13 -1.28 0.09 0.00 0.00 178.44 177.38 2qx1 h SER 64 N 0.63 -0.34 -0.52 -0.43 0.87 -0.61 0.20 113.55 113.34 2qx1 h SER 64 Ca 0.23 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2qx1 h SER 64 Cb 0.06 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2qx1 h SER 64 CO -0.12 -0.20 0.18 0.78 -0.53 0.00 0.00 176.83 176.94 2qx1 h ASN 65 N -0.30 0.78 0.53 6.23 2.35 0.49 -0.87 115.58 124.79 2qx1 h ASN 65 Ca -0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2qx1 h ASN 65 Cb 0.27 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2qx1 h ASN 65 CO -0.02 0.73 0.00 0.00 -1.65 0.00 0.00 177.43 176.49 2qx1 n ALA 66 N -2.46 1.87 -2.76 -0.83 0.00 0.24 -4.90 120.51 111.68 2qx1 n ALA 66 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2qx1 n ALA 66 Cb 0.20 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 0.32 0.15 3.22 0.00 0.00 -0.33 -5.02 105.19 103.52 2qx1 n GLY 67 Ca 0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.64 2.50 0.68 0.99 1.43 0.55 -5.02 118.68 116.17 2qx1 s LEU 68 Ca 0.19 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 2qx1 s LEU 68 Cb -0.08 -0.27 0.12 0.00 0.03 0.00 0.00 46.19 45.98 2qx1 s LEU 68 CO 0.24 -0.35 0.94 -0.94 0.23 0.00 0.00 176.35 176.47 2qx1 s SER 69 N -2.98 4.55 0.38 2.29 1.04 -1.26 -4.08 113.70 113.64 2qx1 s SER 69 Ca 0.13 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.06 2qx1 s SER 69 Cb 0.02 0.16 0.75 0.00 0.10 0.00 0.00 66.02 67.05 2qx1 s SER 69 CO -0.01 -1.73 1.96 0.00 0.98 0.00 0.00 173.24 174.44 2qx1 h ALA 70 N -0.32 1.54 -0.70 5.32 0.00 -1.97 -2.89 119.26 120.24 2qx1 h ALA 70 Ca -0.34 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 54.64 2qx1 h ALA 70 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2qx1 h ALA 70 CO 0.39 0.35 0.50 0.00 0.00 0.00 0.00 179.25 180.49 2qx1 h ALA 71 N 1.63 2.61 -0.00 0.00 0.00 -1.92 -1.09 119.26 120.49 2qx1 h ALA 71 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qx1 h ALA 71 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qx1 h ALA 71 CO -0.00 -0.81 -0.03 -0.25 0.00 0.00 0.00 179.25 178.16 2qx1 n ASP 72 N -4.34 0.07 -4.75 0.00 8.00 -1.09 -4.83 116.55 109.61 2qx1 n ASP 72 Ca 0.14 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2qx1 n ASP 72 Cb 0.75 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.61 5.39 -0.54 0.53 -1.09 -0.41 -4.55 121.20 117.92 2qx1 s ILE 73 Ca 0.27 0.29 0.22 0.00 -2.23 0.00 0.00 60.65 59.20 2qx1 s ILE 73 Cb 0.20 -3.50 -0.21 0.00 -1.58 0.00 0.00 42.46 37.37 2qx1 s ILE 73 CO 0.47 0.46 0.83 0.47 -1.23 0.00 0.00 174.94 175.94 2qx1 n ASP 74 N 3.26 0.55 -3.55 3.58 10.43 -0.10 -4.96 116.55 125.75 2qx1 n ASP 74 Ca -0.16 -0.36 -0.09 0.00 2.57 0.00 0.00 54.79 56.75 2qx1 n ASP 74 Cb 0.52 1.21 -0.04 0.00 1.84 0.00 0.00 41.12 44.66 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 -3.74 -0.34 -0.02 0.44 0.00 -1.24 -3.18 107.32 99.24 2qx1 s GLY 75 Ca 0.01 1.62 0.02 0.00 0.00 0.00 0.00 44.72 46.37 2qx1 s GLY 75 CO 0.85 0.73 -0.06 0.54 0.00 0.00 0.00 173.10 175.16 2qx1 s VAL 76 N -1.97 0.59 -0.29 1.40 0.11 -0.99 -0.11 120.40 119.14 2qx1 s VAL 76 Ca 0.02 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2qx1 s VAL 76 Cb -0.01 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2qx1 s VAL 76 CO -0.03 0.20 0.01 -0.63 -3.33 0.00 0.00 175.10 171.32 2qx1 s ILE 77 N 0.34 3.27 -0.46 7.04 1.01 0.01 -3.03 121.20 129.37 2qx1 s ILE 77 Ca -0.05 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.32 2qx1 s ILE 77 Cb -0.09 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.66 2qx1 s ILE 77 CO 0.00 0.02 0.64 -0.69 0.00 0.00 0.00 174.94 174.92 2qx1 s VAL 78 N 1.35 4.83 -0.17 2.92 1.01 -0.71 -0.76 120.40 128.88 2qx1 s VAL 78 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2qx1 s VAL 78 Cb -0.18 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2qx1 s VAL 78 CO -0.01 -0.68 0.11 0.28 0.00 0.00 0.00 175.10 174.79 2qx1 s THR 79 N 2.79 5.19 -0.18 3.92 -1.32 0.93 -2.01 115.64 124.96 2qx1 s THR 79 Ca 0.20 0.10 -0.33 0.00 -1.21 0.00 0.00 61.69 60.46 2qx1 s THR 79 Cb -0.16 -3.32 0.14 0.00 -1.51 0.00 0.00 72.50 67.65 2qx1 s THR 79 CO 0.16 0.50 1.17 0.28 -2.21 0.00 0.00 174.62 174.52 2qx1 s THR 80 N -0.08 0.00 0.00 5.08 -1.32 -1.13 -1.93 115.64 116.26 2qx1 s THR 80 Ca 0.09 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2qx1 s THR 80 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2qx1 s THR 80 CO 0.00 0.00 0.88 0.59 -2.21 0.00 0.00 174.62 173.89 2qx1 n ASN 81 N 0.12 1.74 -1.82 8.08 3.02 -1.26 -4.53 115.26 120.61 2qx1 n ASN 81 Ca -0.02 -1.78 -0.06 0.00 -0.03 0.00 0.00 54.58 52.70 2qx1 n ASN 81 Cb 0.59 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.39 1.64 -2.98 3.41 -2.24 -1.26 -4.97 114.28 107.50 2qx1 n THR 82 Ca 0.00 -3.04 -0.42 0.00 -2.27 0.00 0.00 64.05 58.32 2qx1 n THR 82 Cb 0.21 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.89 3.17 -0.30 4.78 5.04 -1.26 -4.51 115.29 119.31 2qx1 s HIS 83 Ca 0.38 0.66 0.02 0.00 -1.54 0.00 0.00 55.06 54.58 2qx1 s HIS 83 Cb 0.37 -3.26 0.38 0.00 0.04 0.00 0.00 32.58 30.11 2qx1 s HIS 83 CO -0.05 -0.62 1.65 1.19 -2.34 0.00 0.00 174.74 174.57 2qx1 n PHE 84 N 6.24 1.90 -4.49 3.88 3.01 -1.26 -4.78 117.46 121.96 2qx1 n PHE 84 Ca 0.03 -1.51 -0.23 0.00 1.01 0.00 0.00 57.45 56.75 2qx1 n PHE 84 Cb 0.48 -0.76 -0.16 0.00 -0.01 0.00 0.00 39.48 39.03 2qx1 n PHE 84 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2qx1 s LEU 85 N -2.08 1.62 0.26 4.37 1.43 -1.26 -5.02 118.68 118.01 2qx1 s LEU 85 Ca 0.36 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2qx1 s LEU 85 Cb 0.30 -0.72 0.39 0.00 0.03 0.00 0.00 46.19 46.19 2qx1 s LEU 85 CO 0.05 0.03 1.89 1.56 0.23 0.00 0.00 176.35 180.11 2qx1 h GLN 86 N 6.87 1.17 -3.22 1.70 1.08 -2.05 -3.44 115.11 117.23 2qx1 h GLN 86 Ca -0.33 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 2qx1 h GLN 86 Cb 1.18 -0.26 -0.13 0.00 -0.05 0.00 0.00 27.48 28.21 2qx1 h GLN 86 CO 0.48 0.78 0.03 -0.08 -0.95 0.00 0.00 178.83 179.09 2qx1 s THR 87 N -6.05 0.04 0.79 -0.54 -1.32 -1.26 -4.78 115.64 102.52 2qx1 s THR 87 Ca -0.13 -0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 59.89 2qx1 s THR 87 Cb 0.20 -1.10 0.07 0.00 -1.51 0.00 0.00 72.50 70.16 2qx1 s THR 87 CO 0.82 -0.20 1.09 -2.16 -2.21 0.00 0.00 174.62 171.96 2qx1 s PRO 88 N -3.72 2.10 0.62 7.08 0.04 -1.26 -5.12 135.00 134.74 2qx1 s PRO 88 Ca 0.02 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 2qx1 s PRO 88 Cb 0.01 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2qx1 s PRO 88 CO -0.12 -1.72 1.11 -1.25 0.04 0.00 0.00 177.00 175.06 2qx1 s PRO 89 N -4.93 3.02 0.16 0.56 0.04 -1.26 -4.87 135.00 127.72 2qx1 s PRO 89 Ca 0.61 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 2qx1 s PRO 89 Cb -0.17 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2qx1 s PRO 89 CO 0.56 -1.08 1.59 0.00 0.04 0.00 0.00 177.00 178.11 2qx1 h ALA 90 N 0.43 0.72 -0.93 8.56 0.00 -1.94 -3.36 119.26 122.74 2qx1 h ALA 90 Ca -0.48 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.22 2qx1 h ALA 90 Cb 1.25 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 2qx1 h ALA 90 CO 0.55 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 179.95 2qx1 h ALA 91 N 0.93 -0.16 -0.43 0.00 0.00 -1.90 -0.47 119.26 117.24 2qx1 h ALA 91 Ca 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2qx1 h ALA 91 Cb 0.63 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2qx1 h ALA 91 CO 0.04 -0.77 0.21 -1.35 0.00 0.00 0.00 179.25 177.38 2qx1 h PRO 92 N -0.04 0.59 -0.10 0.00 0.11 -1.86 0.05 132.00 130.75 2qx1 h PRO 92 Ca 0.26 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2qx1 h PRO 92 Cb 0.53 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 2qx1 h PRO 92 CO -0.93 0.45 0.06 0.52 -0.21 0.00 0.00 178.00 177.89 2qx1 h MET 93 N 0.59 0.13 -0.98 1.05 2.86 -1.30 0.43 114.93 117.71 2qx1 h MET 93 Ca 0.15 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2qx1 h MET 93 Cb 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 2qx1 h MET 93 CO -0.02 0.14 0.63 0.28 1.06 0.00 0.00 176.91 179.00 2qx1 h VAL 94 N 0.09 1.07 -0.06 -2.22 2.07 -0.85 -1.22 116.25 115.13 2qx1 h VAL 94 Ca 0.03 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2qx1 h VAL 94 Cb 0.04 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.66 2qx1 h VAL 94 CO -0.01 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.79 2qx1 h ALA 95 N 1.48 0.07 -0.20 1.67 0.00 0.03 -3.02 119.26 119.29 2qx1 h ALA 95 Ca 0.42 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2qx1 h ALA 95 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qx1 h ALA 95 CO -0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 179.25 178.77 2qx1 h ALA 96 N 0.74 0.14 -0.54 0.00 0.00 0.25 -1.55 119.26 118.30 2qx1 h ALA 96 Ca 0.02 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.16 2qx1 h ALA 96 Cb 0.30 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qx1 h ALA 96 CO 0.00 -0.47 0.46 0.77 0.00 0.00 0.00 179.25 180.01 2qx1 h SER 97 N 0.01 0.00 1.42 0.00 0.02 -1.26 -1.62 113.55 112.12 2qx1 h SER 97 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2qx1 h SER 97 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2qx1 h SER 97 CO -0.20 0.00 -0.59 -0.07 -1.14 0.00 0.00 176.83 174.82 2qx1 h LEU 98 N 0.00 0.00 0.00 5.07 3.38 -1.15 -3.47 115.31 119.13 2qx1 h LEU 98 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2qx1 h LEU 98 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2qx1 h LEU 98 CO -0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.34 2qx1 n GLY 99 N 1.19 0.99 2.81 0.83 0.00 -0.61 -4.68 105.19 105.73 2qx1 n GLY 99 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.90 6.27 -0.45 4.61 0.00 -1.12 -4.88 120.51 124.04 2qx1 n ALA 100 Ca 0.00 -4.31 0.38 0.00 0.00 0.00 0.00 53.44 49.52 2qx1 n ALA 100 Cb 0.00 -1.97 0.64 0.00 0.00 0.00 0.00 19.45 18.12 2qx1 n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qx1 n LYS 101 N -0.37 -0.03 -0.14 0.00 4.81 -1.25 -2.63 118.16 118.55 2qx1 n LYS 101 Ca 0.50 1.18 0.07 0.00 -0.87 0.00 0.00 58.31 59.19 2qx1 n LYS 101 Cb 0.26 -2.33 0.14 0.00 0.02 0.00 0.00 35.03 33.12 2qx1 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qx1 n GLY 102 N -1.50 1.72 3.78 3.14 0.00 -1.26 -4.53 105.19 106.54 2qx1 n GLY 102 Ca 0.38 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 3.47 0.72 -0.61 -4.36 -1.08 -5.02 121.20 113.27 2qx1 s ILE 103 Ca 0.24 0.48 -0.14 0.00 -0.26 0.00 0.00 60.65 60.97 2qx1 s ILE 103 Cb 0.14 -3.05 0.03 0.00 1.25 0.00 0.00 42.46 40.83 2qx1 s ILE 103 CO 0.19 -0.62 1.13 -1.48 0.24 0.00 0.00 174.94 174.39 2qx1 s LEU 104 N -5.83 3.26 0.00 0.37 0.05 -1.19 -4.92 118.68 110.41 2qx1 s LEU 104 Ca 0.60 2.06 0.00 0.00 0.05 0.00 0.00 54.13 56.84 2qx1 s LEU 104 Cb -0.16 -4.55 0.00 0.00 -2.05 0.00 0.00 46.19 39.42 2qx1 s LEU 104 CO 0.56 -1.98 0.00 0.61 -0.55 0.00 0.00 176.35 174.99 2qx1 n GLY 105 N -0.39 1.24 3.40 -3.48 0.00 -1.26 -2.34 105.19 102.35 2qx1 n GLY 105 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.78 0.28 -0.08 1.61 -0.71 -1.17 -4.76 117.98 111.37 2qx1 s PHE 106 Ca 0.00 -0.64 -0.09 0.00 -1.04 0.00 0.00 56.93 55.17 2qx1 s PHE 106 Cb 0.00 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2qx1 s PHE 106 CO 0.00 -0.78 0.21 -0.51 -1.34 0.00 0.00 175.22 172.80 2qx1 s ASP 107 N -2.95 6.49 -0.07 1.98 1.11 -1.26 -1.73 116.67 120.24 2qx1 s ASP 107 Ca 0.16 0.59 0.02 0.00 0.18 0.00 0.00 52.55 53.50 2qx1 s ASP 107 Cb 0.02 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.91 2qx1 s ASP 107 CO -0.00 0.38 -0.14 -0.22 1.18 0.00 0.00 175.17 176.37 2qx1 s LEU 108 N -1.12 1.69 -0.25 1.23 0.20 -0.85 -4.98 118.68 114.61 2qx1 s LEU 108 Ca 0.18 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.68 2qx1 s LEU 108 Cb -0.13 -0.92 0.06 0.00 -0.43 0.00 0.00 46.19 44.77 2qx1 s LEU 108 CO 0.07 0.04 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.68 2qx1 s SER 109 N 0.67 4.02 -0.39 3.68 0.01 -1.26 -2.83 113.70 117.60 2qx1 s SER 109 Ca -0.14 -1.27 0.11 0.00 1.31 0.00 0.00 55.95 55.95 2qx1 s SER 109 Cb -0.16 -1.27 0.36 0.00 0.21 0.00 0.00 66.02 65.16 2qx1 s SER 109 CO 0.04 -0.24 0.92 0.00 0.41 0.00 0.00 173.24 174.37 2qx1 n ALA 110 N 4.61 1.31 -0.24 1.44 0.00 -1.26 -5.00 120.51 121.36 2qx1 n ALA 110 Ca -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.68 2qx1 n ALA 110 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.19 1.57 0.22 0.00 0.00 -1.26 -1.64 105.19 104.27 2qx1 n GLY 111 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.44 2.52 -0.12 0.00 0.00 -0.73 -3.87 120.51 115.87 2qx1 n ALA 113 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 2qx1 n ALA 113 Cb 0.31 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 5.58 0.31 0.51 0.00 0.00 -0.82 -2.62 103.07 106.04 2qx1 h GLY 114 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.49 2qx1 h GLY 114 CO 0.01 -0.14 0.02 -2.75 0.00 0.00 0.00 176.54 173.68 2qx1 h PHE 115 N 0.03 0.01 -0.78 5.60 3.57 -1.74 0.14 116.94 123.76 2qx1 h PHE 115 Ca 0.19 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.85 2qx1 h PHE 115 Cb 0.29 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 2qx1 h PHE 115 CO -0.33 -0.04 0.35 0.78 -2.23 0.00 0.00 178.31 176.84 2qx1 h GLY 116 N 0.11 1.22 1.37 2.40 0.00 -1.76 0.31 103.07 106.72 2qx1 h GLY 116 Ca 0.16 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 2qx1 h GLY 116 CO -0.25 -0.07 -0.44 -0.97 0.00 0.00 0.00 176.54 174.80 2qx1 h TYR 117 N 0.51 0.82 0.08 5.60 0.05 -0.92 -1.81 116.97 121.30 2qx1 h TYR 117 Ca 0.43 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 2qx1 h TYR 117 Cb 0.63 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2qx1 h TYR 117 CO -0.14 1.00 -0.04 0.00 -1.05 0.00 0.00 178.16 177.93 2qx1 h ALA 118 N 0.96 -0.11 -0.33 3.88 0.00 0.32 0.26 119.26 124.24 2qx1 h ALA 118 Ca 0.04 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2qx1 h ALA 118 Cb 0.98 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2qx1 h ALA 118 CO 0.09 -0.39 -0.19 1.25 0.00 0.00 0.00 179.25 180.01 2qx1 h LEU 119 N -0.47 -0.64 -0.38 0.00 5.85 -0.51 -0.42 115.31 118.73 2qx1 h LEU 119 Ca -0.01 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.92 2qx1 h LEU 119 Cb 0.39 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 2qx1 h LEU 119 CO 0.02 -0.23 -0.35 1.23 -0.34 0.00 0.00 178.44 178.77 2qx1 h GLY 120 N -0.15 -0.34 1.59 3.75 0.00 -1.25 -2.29 103.07 104.40 2qx1 h GLY 120 Ca 0.17 0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 2qx1 h GLY 120 CO -0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 176.54 175.87 2qx1 h ALA 121 N 0.65 1.34 -0.36 3.60 0.00 0.19 -2.71 119.26 121.98 2qx1 h ALA 121 Ca 0.16 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2qx1 h ALA 121 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qx1 h ALA 121 CO -0.54 0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 2qx1 h ALA 122 N 1.49 0.51 -0.53 0.00 0.00 -0.81 -1.99 119.26 117.93 2qx1 h ALA 122 Ca 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qx1 h ALA 122 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qx1 h ALA 122 CO 0.02 0.46 0.22 0.00 0.00 0.00 0.00 179.25 179.94 2qx1 h ALA 123 N 0.78 0.69 -0.48 0.00 0.00 -1.20 -1.42 119.26 117.63 2qx1 h ALA 123 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qx1 h ALA 123 Cb 0.76 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2qx1 h ALA 123 CO 0.06 0.29 0.18 -0.44 0.00 0.00 0.00 179.25 179.34 2qx1 h ASP 124 N 0.72 0.63 0.25 0.00 3.32 -1.49 -1.84 116.42 118.02 2qx1 h ASP 124 Ca 0.18 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 2qx1 h ASP 124 Cb 0.19 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qx1 h ASP 124 CO -0.02 0.59 -0.78 -0.03 -1.72 0.00 0.00 179.24 177.29 2qx1 h MET 125 N 0.69 0.43 -0.15 3.56 4.05 -0.94 -1.54 114.93 121.03 2qx1 h MET 125 Ca 0.17 -0.37 -0.13 0.00 -0.28 0.00 0.00 59.70 59.09 2qx1 h MET 125 Cb 0.17 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2qx1 h MET 125 CO -0.01 1.01 -0.40 0.82 0.23 0.00 0.00 176.91 178.56 2qx1 h ILE 126 N 0.28 1.35 -0.33 1.77 2.04 -1.19 -1.10 117.51 120.34 2qx1 h ILE 126 Ca -0.04 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.06 2qx1 h ILE 126 Cb 1.37 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 2qx1 h ILE 126 CO 0.13 0.51 -0.13 0.03 0.00 0.00 0.00 178.15 178.69 2qx1 h ARG 127 N 0.16 0.58 0.00 2.37 3.08 -1.40 -2.19 114.38 116.98 2qx1 h ARG 127 Ca -0.01 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2qx1 h ARG 127 Cb 1.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2qx1 h ARG 127 CO 0.09 0.70 0.00 0.78 -1.07 0.00 0.00 179.97 180.47 2qx1 h GLY 128 N 0.96 0.00 0.00 0.04 0.00 -1.28 0.03 103.07 102.82 2qx1 h GLY 128 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2qx1 h GLY 128 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2qx1 n GLY 129 N -0.47 1.00 1.02 4.60 0.00 -0.82 -3.95 105.19 106.56 2qx1 n GLY 129 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.39 2.27 0.00 -0.02 0.00 -0.44 -4.81 105.19 100.80 2qx1 n GLY 130 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2qx1 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 n ALA 131 N 1.17 0.00 -0.10 4.61 0.00 -1.24 -4.95 120.51 120.01 2qx1 n ALA 131 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 2qx1 n ALA 131 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 2qx1 n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qx1 n ALA 132 N -0.03 1.33 -3.20 0.00 0.00 -1.26 -4.15 120.51 113.20 2qx1 n ALA 132 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 2qx1 n ALA 132 Cb 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.53 0.19 0.06 0.00 2.01 -1.26 -3.83 115.64 110.28 2qx1 s THR 133 Ca -0.31 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2qx1 s THR 133 Cb 0.08 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 2qx1 s THR 133 CO 0.65 0.09 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.56 2qx1 s MET 134 N 0.39 0.62 -0.20 4.92 1.00 0.85 -0.93 119.30 125.94 2qx1 s MET 134 Ca -0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 55.69 54.62 2qx1 s MET 134 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 34.83 34.50 2qx1 s MET 134 CO -0.01 0.02 0.09 -0.51 0.00 0.00 0.00 175.02 174.61 2qx1 s LEU 135 N -2.08 3.86 -0.14 -0.03 1.43 0.84 0.20 118.68 122.76 2qx1 s LEU 135 Ca -0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2qx1 s LEU 135 Cb -0.05 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2qx1 s LEU 135 CO -0.02 0.12 -0.21 -0.69 0.23 0.00 0.00 176.35 175.79 2qx1 s VAL 136 N 0.69 1.98 -0.10 -1.59 1.01 -0.56 -0.81 120.40 121.02 2qx1 s VAL 136 Ca 0.05 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2qx1 s VAL 136 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2qx1 s VAL 136 CO 0.02 0.53 -0.16 0.54 0.00 0.00 0.00 175.10 176.03 2qx1 s VAL 137 N 0.91 1.49 -0.20 2.92 0.11 0.06 -0.74 120.40 124.94 2qx1 s VAL 137 Ca -0.05 -0.66 -0.15 0.00 -2.93 0.00 0.00 61.98 58.19 2qx1 s VAL 137 Cb -0.15 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2qx1 s VAL 137 CO -0.03 0.44 0.36 -0.83 -3.33 0.00 0.00 175.10 171.70 2qx1 s GLY 138 N 0.81 2.09 -0.00 6.54 0.00 -0.82 -0.05 107.32 115.89 2qx1 s GLY 138 Ca -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 2qx1 s GLY 138 CO 0.01 0.73 0.09 -1.08 0.00 0.00 0.00 173.10 172.85 2qx1 s THR 139 N 1.20 0.07 -0.28 0.90 -1.32 -0.81 -0.40 115.64 115.00 2qx1 s THR 139 Ca 0.17 -0.58 -0.21 0.00 -1.21 0.00 0.00 61.69 59.87 2qx1 s THR 139 Cb -0.14 -0.32 0.08 0.00 -1.51 0.00 0.00 72.50 70.60 2qx1 s THR 139 CO 0.07 -0.32 0.74 -0.70 -2.21 0.00 0.00 174.62 172.20 2qx1 s GLU 140 N -1.05 0.74 -0.55 7.08 2.56 0.08 -4.35 118.70 123.20 2qx1 s GLU 140 Ca -0.11 1.06 0.04 0.00 0.00 0.00 0.00 54.97 55.95 2qx1 s GLU 140 Cb -0.07 0.27 0.15 0.00 2.00 0.00 0.00 34.13 36.49 2qx1 s GLU 140 CO 0.01 -0.12 0.36 0.21 -0.56 0.00 0.00 175.26 175.16 2qx1 s LYS 141 N 0.95 1.79 0.41 4.30 2.20 -1.26 -1.61 119.74 126.52 2qx1 s LYS 141 Ca -0.05 -2.65 0.23 0.00 -0.36 0.00 0.00 55.97 53.15 2qx1 s LYS 141 Cb -0.05 -2.75 0.41 0.00 -1.51 0.00 0.00 37.83 33.93 2qx1 s LYS 141 CO -0.09 -1.24 1.63 -0.07 -0.36 0.00 0.00 175.35 175.22 2qx1 h LEU 142 N 5.98 0.00 -0.56 5.43 3.38 -1.94 -3.39 115.31 124.22 2qx1 h LEU 142 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2qx1 h LEU 142 Cb 0.85 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2qx1 h LEU 142 CO 0.59 0.00 -0.33 -1.20 0.09 0.00 0.00 178.44 177.59 2qx1 n SER 143 N -3.00 -0.59 0.00 -0.43 7.64 -1.26 -0.97 113.62 115.01 2qx1 n SER 143 Ca 0.04 1.30 0.05 0.00 1.01 0.00 0.00 58.87 61.27 2qx1 n SER 143 Cb 0.52 -0.28 0.25 0.00 -1.01 0.00 0.00 64.21 63.68 2qx1 n SER 143 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2qx1 n PRO 144 N -4.29 0.12 0.05 1.43 -0.02 -1.26 -1.99 135.00 129.04 2qx1 n PRO 144 Ca 0.01 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 2qx1 n PRO 144 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2qx1 n PRO 144 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qx1 n THR 145 N -1.31 0.32 -2.57 3.45 -2.24 -0.14 -4.93 114.28 106.86 2qx1 n THR 145 Ca 0.04 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 2qx1 n THR 145 Cb 0.08 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.30 4.33 -0.53 2.28 1.01 -0.84 -2.01 121.20 122.14 2qx1 s ILE 146 Ca 0.01 1.76 -0.23 0.00 0.00 0.00 0.00 60.65 62.18 2qx1 s ILE 146 Cb 0.13 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.51 2qx1 s ILE 146 CO 0.80 0.18 0.89 -0.62 0.00 0.00 0.00 174.94 176.19 2qx1 s ASP 147 N 0.70 6.33 0.50 3.58 2.15 -1.26 -4.94 116.67 123.74 2qx1 s ASP 147 Ca 0.53 -0.40 0.31 0.00 0.43 0.00 0.00 52.55 53.42 2qx1 s ASP 147 Cb -0.26 -2.41 1.67 0.00 -0.30 0.00 0.00 42.92 41.62 2qx1 s ASP 147 CO 0.30 -1.15 1.93 0.24 -0.17 0.00 0.00 175.17 176.32 2qx1 h MET 148 N 9.24 0.00 -0.02 4.34 2.86 -1.95 0.41 114.93 129.81 2qx1 h MET 148 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2qx1 h MET 148 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2qx1 h MET 148 CO 1.06 0.00 -0.10 0.66 1.06 0.00 0.00 176.91 179.59 2qx1 n TYR 149 N -2.63 0.00 -2.66 -0.22 4.02 -1.26 -4.31 117.16 110.10 2qx1 n TYR 149 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 2qx1 n TYR 149 Cb 0.12 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 -2.16 6.33 0.00 7.72 3.68 0.13 -4.90 116.67 127.48 2qx1 s ASP 150 Ca 0.31 -1.08 0.00 0.00 2.13 0.00 0.00 52.55 53.92 2qx1 s ASP 150 Cb 0.20 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 2qx1 s ASP 150 CO 0.39 -1.56 0.31 0.54 0.13 0.00 0.00 175.17 174.98 2qx1 n ARG 151 N 8.56 0.44 -0.05 4.34 1.74 -1.26 -2.64 116.66 127.80 2qx1 n ARG 151 Ca 0.14 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 2qx1 n ARG 151 Cb 0.49 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.75 2qx1 n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qx1 n GLY 152 N 0.14 -0.22 0.00 -0.13 0.00 -1.26 -4.91 105.19 98.80 2qx1 n GLY 152 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2qx1 n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qx1 n ASN 153 N -2.61 0.06 0.25 1.61 0.23 -1.11 -4.84 115.26 108.86 2qx1 n ASN 153 Ca -0.16 -1.01 0.11 0.00 -0.53 0.00 0.00 54.58 53.00 2qx1 n ASN 153 Cb 0.71 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 39.08 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 -3.79 0.16 -0.09 0.00 1.16 -1.26 -4.51 117.46 109.12 2qx1 n PHE 155 Ca -0.02 -0.08 -0.12 0.00 -1.87 0.00 0.00 57.45 55.36 2qx1 n PHE 155 Cb 0.24 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.06 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 0.58 1.47 -3.00 1.97 2.08 -0.76 -4.96 119.36 116.74 2qx1 n ILE 156 Ca 0.17 0.08 -0.33 0.00 0.56 0.00 0.00 62.75 63.23 2qx1 n ILE 156 Cb 0.41 -2.25 -0.06 0.00 -0.75 0.00 0.00 39.64 36.99 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 -2.40 3.41 0.11 1.39 0.40 -1.25 -1.49 117.98 118.14 2qx1 s PHE 157 Ca -0.23 1.41 -0.01 0.00 -0.60 0.00 0.00 56.93 57.50 2qx1 s PHE 157 Cb 0.05 -2.68 0.00 0.00 0.51 0.00 0.00 43.02 40.90 2qx1 s PHE 157 CO 0.38 0.06 0.15 0.00 0.70 0.00 0.00 175.22 176.51 2qx1 n ALA 158 N -0.25 -0.11 -2.43 5.36 0.00 -1.07 -4.82 120.51 117.18 2qx1 n ALA 158 Ca 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 2qx1 n ALA 158 Cb 0.53 0.39 -0.12 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.65 3.20 0.00 0.00 -0.00 -0.64 -3.86 116.67 113.72 2qx1 s ASP 159 Ca 0.09 -0.83 0.00 0.00 -0.00 0.00 0.00 52.55 51.80 2qx1 s ASP 159 Cb -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 42.92 42.70 2qx1 s ASP 159 CO 0.06 0.10 0.00 0.61 -0.00 0.00 0.00 175.17 175.94 2qx1 n GLY 160 N 0.44 1.14 3.06 0.21 0.00 -0.63 -4.63 105.19 104.78 2qx1 n GLY 160 Ca -0.14 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.96 0.34 -0.28 4.61 0.00 -0.64 -0.75 121.76 123.08 2qx1 s ALA 161 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 2qx1 s ALA 161 Cb 0.00 0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.47 2qx1 s ALA 161 CO 0.00 -0.30 0.92 0.00 0.00 0.00 0.00 175.76 176.38 2qx1 s ALA 162 N -3.02 -2.07 0.20 0.00 0.00 0.46 -1.01 121.76 116.32 2qx1 s ALA 162 Ca -0.01 2.14 0.11 0.00 0.00 0.00 0.00 51.96 54.19 2qx1 s ALA 162 Cb 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2qx1 s ALA 162 CO -0.07 -0.32 -0.23 0.00 0.00 0.00 0.00 175.76 175.15 2qx1 s ALA 163 N 0.99 2.51 0.06 0.00 0.00 -0.47 -1.93 121.76 122.90 2qx1 s ALA 163 Ca -0.05 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.33 2qx1 s ALA 163 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2qx1 s ALA 163 CO -0.12 0.38 -0.23 0.14 0.00 0.00 0.00 175.76 175.94 2qx1 s VAL 164 N -1.86 2.46 -0.33 0.00 -7.23 0.08 -1.32 120.40 112.20 2qx1 s VAL 164 Ca 0.22 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.85 2qx1 s VAL 164 Cb -0.07 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 2qx1 s VAL 164 CO 0.10 0.31 0.59 -0.69 -0.31 0.00 0.00 175.10 175.11 2qx1 s VAL 165 N -0.90 4.95 -0.20 1.32 1.01 -0.83 -1.50 120.40 124.26 2qx1 s VAL 165 Ca 0.13 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2qx1 s VAL 165 Cb -0.10 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2qx1 s VAL 165 CO 0.04 -0.21 0.23 -0.69 0.00 0.00 0.00 175.10 174.48 2qx1 s VAL 166 N 2.56 5.33 0.34 2.92 1.01 0.13 0.45 120.40 133.14 2qx1 s VAL 166 Ca 0.23 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 2qx1 s VAL 166 Cb -0.15 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2qx1 s VAL 166 CO 0.13 0.37 0.69 -0.83 0.00 0.00 0.00 175.10 175.46 2qx1 s GLY 167 N 0.70 0.48 0.26 4.51 0.00 -0.77 -0.11 107.32 112.39 2qx1 s GLY 167 Ca 0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 2qx1 s GLY 167 CO 0.03 -0.41 1.59 1.85 0.00 0.00 0.00 173.10 176.16 2qx1 s GLU 168 N -2.95 4.15 0.18 2.90 2.12 -1.25 -0.61 118.70 123.25 2qx1 s GLU 168 Ca 0.18 2.52 0.07 0.00 0.36 0.00 0.00 54.97 58.10 2qx1 s GLU 168 Cb -0.04 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2qx1 s GLU 168 CO 0.12 -0.61 -0.14 0.95 -0.54 0.00 0.00 175.26 175.04 2qx1 s THR 169 N 0.26 1.57 0.16 -1.70 -4.23 -0.44 -4.79 115.64 106.46 2qx1 s THR 169 Ca 0.65 -2.09 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 2qx1 s THR 169 Cb -0.47 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.48 2qx1 s THR 169 CO 0.44 -0.58 1.78 -0.65 -0.54 0.00 0.00 174.62 175.06 2qx1 h PRO 170 N 2.80 0.39 -6.45 3.99 0.11 -1.96 -3.41 132.00 127.46 2qx1 h PRO 170 Ca -0.38 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.06 2qx1 h PRO 170 Cb 1.21 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 2qx1 h PRO 170 CO 0.60 0.26 -0.70 -0.06 -0.21 0.00 0.00 178.00 177.88 2qx1 s PHE 171 N -6.15 2.81 -0.11 0.65 0.08 -1.26 -4.92 117.98 109.08 2qx1 s PHE 171 Ca -0.13 -0.13 -0.35 0.00 0.12 0.00 0.00 56.93 56.45 2qx1 s PHE 171 Cb 0.12 -1.44 -0.12 0.00 -0.57 0.00 0.00 43.02 41.01 2qx1 s PHE 171 CO 0.72 0.47 1.86 0.94 -0.10 0.00 0.00 175.22 179.10 2qx1 n GLN 172 N 0.44 2.05 -0.00 0.44 -0.06 -1.26 -4.55 117.38 114.44 2qx1 n GLN 172 Ca -0.12 0.75 0.06 0.00 -2.00 0.00 0.00 57.00 55.70 2qx1 n GLN 172 Cb 0.53 -2.58 -0.09 0.00 -4.06 0.00 0.00 30.24 24.04 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 4.37 -0.43 2.95 1.69 0.00 0.75 -4.87 105.19 109.65 2qx1 n GLY 173 Ca 0.23 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.60 0.99 0.99 -0.61 1.01 -0.55 -1.30 121.20 119.14 2qx1 s ILE 174 Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2qx1 s ILE 174 Cb 0.09 -0.97 0.19 0.00 0.01 0.00 0.00 42.46 41.78 2qx1 s ILE 174 CO 0.55 0.34 1.21 -0.83 0.00 0.00 0.00 174.94 176.21 2qx1 s GLY 175 N 1.20 1.66 0.20 6.18 0.00 0.29 -4.92 107.32 111.92 2qx1 s GLY 175 Ca -0.05 -0.91 -0.31 0.00 0.00 0.00 0.00 44.72 43.46 2qx1 s GLY 175 CO -0.02 -0.20 1.45 -4.14 0.00 0.00 0.00 173.10 170.19 2qx1 s PRO 176 N -5.59 4.28 0.18 2.90 0.02 -1.26 -4.76 135.00 130.77 2qx1 s PRO 176 Ca 0.69 2.25 -0.33 0.00 0.02 0.00 0.00 61.00 63.63 2qx1 s PRO 176 Cb -0.09 -3.15 -0.15 0.00 0.02 0.00 0.00 34.50 31.13 2qx1 s PRO 176 CO 0.53 -0.45 1.28 2.41 -0.33 0.00 0.00 177.00 180.45 2qx1 n THR 177 N 3.06 0.75 -4.06 0.99 -1.04 -1.26 -4.71 114.28 107.99 2qx1 n THR 177 Ca 0.09 -0.19 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 2qx1 n THR 177 Cb 0.40 -1.08 -0.16 0.00 -1.82 0.00 0.00 70.33 67.68 2qx1 n THR 177 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qx1 s VAL 178 N -0.00 1.92 0.22 12.58 1.01 0.17 -5.00 120.40 131.30 2qx1 s VAL 178 Ca 0.73 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2qx1 s VAL 178 Cb -0.79 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2qx1 s VAL 178 CO 0.50 0.28 0.19 0.00 0.00 0.00 0.00 175.10 176.07 2qx1 s ALA 179 N 1.29 1.02 0.00 5.51 0.00 -1.26 0.40 121.76 128.72 2qx1 s ALA 179 Ca -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2qx1 s ALA 179 Cb -0.16 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.31 2qx1 s ALA 179 CO -0.09 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2qx1 n GLY 180 N -0.32 -1.51 2.78 0.00 0.00 -0.78 -5.00 105.19 100.36 2qx1 n GLY 180 Ca 0.02 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 2qx1 n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qx1 n SER 181 N 1.72 -1.39 -3.32 1.61 3.41 -1.26 -1.57 113.62 112.82 2qx1 n SER 181 Ca 0.00 -1.81 -0.12 0.00 -0.26 0.00 0.00 58.87 56.67 2qx1 n SER 181 Cb 0.00 2.28 -0.06 0.00 -0.26 0.00 0.00 64.21 66.17 2qx1 n SER 181 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qx1 s ASP 182 N -2.69 0.56 0.34 4.04 3.68 -0.08 -4.99 116.67 117.53 2qx1 s ASP 182 Ca 0.15 -1.21 0.13 0.00 2.13 0.00 0.00 52.55 53.75 2qx1 s ASP 182 Cb -0.03 0.91 0.59 0.00 -1.45 0.00 0.00 42.92 42.94 2qx1 s ASP 182 CO 0.05 -0.26 1.74 1.23 0.13 0.00 0.00 175.17 178.06 2qx1 h GLY 183 N 7.27 0.00 2.00 2.66 0.00 -1.82 -3.03 103.07 110.15 2qx1 h GLY 183 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2qx1 h GLY 183 CO 0.20 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.52 2qx1 h GLU 184 N 0.00 0.00 -0.61 4.80 4.39 -1.96 -1.69 114.58 119.51 2qx1 h GLU 184 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2qx1 h GLU 184 Cb 0.85 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.36 2qx1 h GLU 184 CO 0.06 0.04 0.21 1.04 -1.16 0.00 0.00 179.01 179.20 2qx1 n GLN 185 N -4.21 2.75 -0.26 2.33 6.02 -1.14 -4.71 117.38 118.15 2qx1 n GLN 185 Ca -0.03 -3.06 0.05 0.00 -0.01 0.00 0.00 57.00 53.95 2qx1 n GLN 185 Cb 0.13 -2.04 0.18 0.00 1.02 0.00 0.00 30.24 29.54 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 1.70 1.10 0.00 -1.58 0.00 -1.40 -2.43 119.26 116.66 2qx1 h ALA 186 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qx1 h ALA 186 Cb 2.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2qx1 h ALA 186 CO 0.64 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 2qx1 n ASP 187 N -4.93 0.00 -0.12 0.00 3.85 -1.26 -3.56 116.55 110.53 2qx1 n ASP 187 Ca 0.14 -1.04 -0.05 0.00 -0.71 0.00 0.00 54.79 53.13 2qx1 n ASP 187 Cb 0.38 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.16 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 3.83 0.09 -3.09 2.12 0.00 -1.77 -3.37 119.26 117.07 2qx1 h ALA 188 Ca 0.00 0.14 -0.67 0.00 0.00 0.00 0.00 54.91 54.38 2qx1 h ALA 188 Cb 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 17.79 17.92 2qx1 h ALA 188 CO 0.00 -0.57 -0.85 0.42 0.00 0.00 0.00 179.25 178.25 2qx1 s ILE 189 N -6.14 2.11 0.07 0.00 1.01 -1.23 -1.20 121.20 115.82 2qx1 s ILE 189 Ca -0.14 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 2qx1 s ILE 189 Cb 0.15 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2qx1 s ILE 189 CO 0.70 0.51 0.36 0.00 0.00 0.00 0.00 174.94 176.52 2qx1 s ARG 190 N 1.29 0.92 -0.12 2.79 1.70 -0.65 -4.14 118.95 120.74 2qx1 s ARG 190 Ca 0.04 -0.53 -0.26 0.00 -0.47 0.00 0.00 55.73 54.51 2qx1 s ARG 190 Cb -0.13 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2qx1 s ARG 190 CO -0.12 -0.32 0.83 -1.14 -1.08 0.00 0.00 175.30 173.47 2qx1 s GLN 191 N -2.94 4.37 0.43 3.89 0.74 -1.26 -0.26 119.66 124.63 2qx1 s GLN 191 Ca -0.02 1.06 0.22 0.00 0.05 0.00 0.00 55.36 56.67 2qx1 s GLN 191 Cb 0.00 -3.53 0.94 0.00 1.10 0.00 0.00 33.01 31.52 2qx1 s GLN 191 CO -0.06 -0.21 1.85 0.38 -0.55 0.00 0.00 175.29 176.70 2qx1 h ASP 192 N 7.13 0.00 -3.47 6.67 2.03 -1.68 -3.42 116.42 123.68 2qx1 h ASP 192 Ca -0.33 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.60 2qx1 h ASP 192 Cb 1.16 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 39.31 2qx1 h ASP 192 CO 0.81 0.26 -0.75 -0.63 -1.03 0.00 0.00 179.24 177.90 2qx1 s ILE 193 N -3.79 0.26 0.79 4.15 1.01 -1.26 -5.03 121.20 117.34 2qx1 s ILE 193 Ca -0.01 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2qx1 s ILE 193 Cb 0.11 -0.35 0.07 0.00 0.01 0.00 0.00 42.46 42.30 2qx1 s ILE 193 CO 0.65 0.17 1.16 1.51 0.00 0.00 0.00 174.94 178.42 2qx1 s ASP 194 N 1.08 3.93 0.22 3.58 1.47 -1.26 -4.70 116.67 120.99 2qx1 s ASP 194 Ca -0.09 2.17 -0.05 0.00 1.18 0.00 0.00 52.55 55.77 2qx1 s ASP 194 Cb -0.14 -2.57 0.20 0.00 -0.34 0.00 0.00 42.92 40.08 2qx1 s ASP 194 CO -0.02 -2.43 1.65 -0.50 0.68 0.00 0.00 175.17 174.56 2qx1 h TRP 195 N -0.91 0.91 -0.25 2.11 -0.00 -1.98 -2.15 115.95 113.67 2qx1 h TRP 195 Ca -0.45 -0.19 -0.18 0.00 -0.00 0.00 0.00 58.89 58.07 2qx1 h TRP 195 Cb 1.27 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 30.20 2qx1 h TRP 195 CO 0.51 0.91 -0.56 0.82 -0.00 0.00 0.00 178.44 180.12 2qx1 h ILE 196 N 0.73 1.29 -0.74 1.49 1.08 -1.97 0.48 117.51 119.86 2qx1 h ILE 196 Ca 0.11 -1.77 -0.03 0.00 -0.39 0.00 0.00 64.86 62.78 2qx1 h ILE 196 Cb 0.66 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2qx1 h ILE 196 CO 0.05 0.57 0.33 0.74 -0.69 0.00 0.00 178.15 179.15 2qx1 h THR 197 N 0.59 1.24 -0.33 -0.27 2.02 -1.93 0.27 112.91 114.51 2qx1 h THR 197 Ca 0.01 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2qx1 h THR 197 Cb 1.16 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2qx1 h THR 197 CO 0.12 0.30 0.13 0.15 0.37 0.00 0.00 175.52 176.58 2qx1 h PHE 198 N 1.04 0.51 -0.71 3.16 3.57 -1.24 -2.37 116.94 120.89 2qx1 h PHE 198 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2qx1 h PHE 198 Cb 0.15 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2qx1 h PHE 198 CO 0.01 0.48 0.45 0.00 -2.23 0.00 0.00 178.31 177.02 2qx1 h ALA 199 N 0.97 0.93 0.00 2.41 0.00 0.77 -2.87 119.26 121.46 2qx1 h ALA 199 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qx1 h ALA 199 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qx1 h ALA 199 CO -0.01 0.23 -0.18 1.96 0.00 0.00 0.00 179.25 181.25 2qx1 h GLN 200 N 0.88 0.00 -2.67 0.00 4.20 -0.43 -3.35 115.11 113.74 2qx1 h GLN 200 Ca 0.28 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.39 2qx1 h GLN 200 Cb 0.01 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.38 2qx1 h GLN 200 CO -0.10 0.18 -0.72 -1.71 -0.67 0.00 0.00 178.83 175.81 2qx1 n ASN 201 N -3.21 2.07 0.02 1.46 5.15 -0.90 -4.96 115.26 114.89 2qx1 n ASN 201 Ca 0.02 -3.01 0.11 0.00 -0.60 0.00 0.00 54.58 51.10 2qx1 n ASN 201 Cb 0.51 -0.68 0.55 0.00 -0.53 0.00 0.00 39.78 39.63 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 5.13 0.27 0.00 1.20 0.11 -1.69 -2.70 132.00 134.31 2qx1 h PRO 202 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2qx1 h PRO 202 Cb 0.78 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qx1 h PRO 202 CO 0.63 0.18 -0.07 0.66 -0.21 0.00 0.00 178.00 179.19 2qx1 h SER 202 N 0.28 0.00 -1.01 -2.05 4.64 -1.93 -3.45 113.55 110.03 2qx1 h SER 202 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2qx1 h SER 202 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2qx1 h SER 202 CO -0.04 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2qx1 n GLY 202 N -0.19 -1.87 3.83 -0.77 0.00 -1.02 -5.01 105.19 100.17 2qx1 n GLY 202 Ca -0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2qx1 n GLY 202 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qx1 s PRO 202 N -1.82 4.08 0.63 1.61 0.02 -1.26 -5.06 135.00 133.20 2qx1 s PRO 202 Ca 0.00 0.96 -0.11 0.00 0.02 0.00 0.00 61.00 61.88 2qx1 s PRO 202 Cb 0.00 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 2qx1 s PRO 202 CO 0.00 -0.08 1.03 -0.98 -0.33 0.00 0.00 177.00 176.65 2qx1 s ARG 202 N -3.46 3.55 0.11 5.54 1.70 -1.26 -4.95 118.95 120.18 2qx1 s ARG 202 Ca 0.59 0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 56.31 2qx1 s ARG 202 Cb -0.10 -2.07 -0.06 0.00 -0.57 0.00 0.00 34.95 32.15 2qx1 s ARG 202 CO 0.20 -0.61 1.01 -2.14 -1.08 0.00 0.00 175.30 172.69 2qx1 s PRO 203 N -5.17 4.64 0.23 3.89 0.02 -1.26 -4.92 135.00 132.42 2qx1 s PRO 203 Ca 0.55 1.53 0.06 0.00 0.02 0.00 0.00 61.00 63.16 2qx1 s PRO 203 Cb -0.11 -3.36 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 2qx1 s PRO 203 CO 0.54 0.12 -0.07 -0.06 -0.33 0.00 0.00 177.00 177.20 2qx1 s PHE 204 N 0.13 1.67 0.24 6.54 0.08 -1.26 -4.94 117.98 120.44 2qx1 s PHE 204 Ca 0.49 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 2qx1 s PHE 204 Cb -0.25 -0.90 -0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2qx1 s PHE 204 CO 0.31 0.17 1.06 0.54 -0.10 0.00 0.00 175.22 177.20 2qx1 s VAL 205 N -3.17 3.74 -0.06 -0.44 0.11 -0.85 -1.67 120.40 118.06 2qx1 s VAL 205 Ca 0.25 1.66 0.02 0.00 -2.93 0.00 0.00 61.98 60.98 2qx1 s VAL 205 Cb 0.03 -4.06 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 2qx1 s VAL 205 CO 0.08 0.36 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.99 2qx1 s ARG 206 N -1.04 1.31 -0.05 1.54 1.81 0.64 -4.74 118.95 118.42 2qx1 s ARG 206 Ca 0.45 -0.27 0.06 0.00 -1.72 0.00 0.00 55.73 54.25 2qx1 s ARG 206 Cb -0.30 -1.16 -0.01 0.00 -0.45 0.00 0.00 34.95 33.03 2qx1 s ARG 206 CO 0.37 -0.03 -0.23 -1.17 -0.68 0.00 0.00 175.30 173.57 2qx1 s LEU 207 N 0.81 2.02 -0.86 2.53 2.96 -1.26 -1.64 118.68 123.25 2qx1 s LEU 207 Ca -0.12 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 2qx1 s LEU 207 Cb -0.15 -1.25 0.22 0.00 0.50 0.00 0.00 46.19 45.52 2qx1 s LEU 207 CO 0.02 0.23 0.78 -1.61 -1.32 0.00 0.00 176.35 174.45 2qx1 s GLU 208 N -0.15 3.54 0.09 1.98 0.41 -0.34 -4.94 118.70 119.29 2qx1 s GLU 208 Ca -0.02 -2.68 -0.18 0.00 -0.41 0.00 0.00 54.97 51.68 2qx1 s GLU 208 Cb -0.13 -4.32 -0.04 0.00 -1.78 0.00 0.00 34.13 27.86 2qx1 s GLU 208 CO 0.03 -1.26 1.31 0.78 -0.49 0.00 0.00 175.26 175.63 2qx1 h GLY 209 N 7.33 -1.61 0.64 -1.39 0.00 -1.95 -1.65 103.07 104.44 2qx1 h GLY 209 Ca 0.11 0.93 0.08 0.00 0.00 0.00 0.00 47.33 48.44 2qx1 h GLY 209 CO 0.80 -0.41 0.56 -2.55 0.00 0.00 0.00 176.54 174.94 2qx1 h PRO 210 N -0.04 0.95 -0.52 4.80 0.11 -1.99 0.24 132.00 135.56 2qx1 h PRO 210 Ca 0.08 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 2qx1 h PRO 210 Cb 0.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2qx1 h PRO 210 CO -0.51 0.63 -0.08 0.00 -0.21 0.00 0.00 178.00 177.84 2qx1 h ALA 211 N 1.45 0.89 0.18 -0.75 0.00 -1.86 -1.26 119.26 117.91 2qx1 h ALA 211 Ca 0.41 -0.33 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 2qx1 h ALA 211 Cb 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qx1 h ALA 211 CO -0.20 0.64 -1.40 0.28 0.00 0.00 0.00 179.25 178.57 2qx1 h VAL 212 N 0.85 1.34 0.37 0.00 2.07 -0.43 -2.26 116.25 118.19 2qx1 h VAL 212 Ca 0.14 -2.86 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 2qx1 h VAL 212 Cb 0.60 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 2qx1 h VAL 212 CO 0.04 0.85 -0.38 0.15 0.02 0.00 0.00 177.57 178.25 2qx1 h PHE 213 N 0.11 -1.03 -0.24 1.57 3.57 -0.51 -2.03 116.94 118.37 2qx1 h PHE 213 Ca -0.21 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.36 2qx1 h PHE 213 Cb 2.07 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 41.15 2qx1 h PHE 213 CO 0.09 -0.53 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.39 2qx1 h ARG 214 N -0.78 -0.14 0.39 1.11 2.43 -1.30 0.13 114.38 116.22 2qx1 h ARG 214 Ca -0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2qx1 h ARG 214 Cb 0.70 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2qx1 h ARG 214 CO -0.07 -0.10 -0.43 2.35 -1.51 0.00 0.00 179.97 180.22 2qx1 h TRP 215 N -0.15 -1.19 -0.53 2.20 7.01 -1.36 -2.46 115.95 119.48 2qx1 h TRP 215 Ca 0.13 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 2qx1 h TRP 215 Cb 0.35 0.47 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 2qx1 h TRP 215 CO -0.33 -0.56 0.22 0.00 -2.79 0.00 0.00 178.44 174.98 2qx1 h ALA 216 N -1.02 0.69 -0.55 2.65 0.00 -1.25 -1.66 119.26 118.12 2qx1 h ALA 216 Ca -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2qx1 h ALA 216 Cb 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qx1 h ALA 216 CO -0.07 0.30 0.24 0.00 0.00 0.00 0.00 179.25 179.72 2qx1 h ALA 217 N 1.06 1.39 -0.00 0.00 0.00 -0.67 -2.02 119.26 119.02 2qx1 h ALA 217 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qx1 h ALA 217 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qx1 h ALA 217 CO -0.02 0.47 -0.64 1.19 0.00 0.00 0.00 179.25 180.26 2qx1 n PHE 218 N -4.35 0.00 -0.06 0.00 3.72 -0.93 -4.61 117.46 111.22 2qx1 n PHE 218 Ca 0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.37 2qx1 n PHE 218 Cb 0.15 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.16 1.24 0.07 -1.08 4.76 -0.63 -4.63 118.16 116.73 2qx1 n LYS 219 Ca 0.03 0.04 0.10 0.00 -2.87 0.00 0.00 58.31 55.62 2qx1 n LYS 219 Cb 0.25 -1.29 0.43 0.00 -1.84 0.00 0.00 35.03 32.57 2qx1 n LYS 219 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2qx1 n MET 220 N -2.68 0.11 0.06 1.97 2.81 -0.77 -2.60 117.12 116.03 2qx1 n MET 220 Ca -0.22 0.30 -0.13 0.00 -1.81 0.00 0.00 57.70 55.84 2qx1 n MET 220 Cb 0.82 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 31.56 2qx1 n MET 220 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2qx1 h GLY 221 N 2.82 -0.12 1.06 3.03 0.00 -1.82 0.16 103.07 108.20 2qx1 h GLY 221 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2qx1 h GLY 221 CO 0.00 -0.04 0.00 -0.55 0.00 0.00 0.00 176.54 175.95 2qx1 h ASP 222 N -0.27 1.00 -0.92 0.19 3.32 -1.81 -1.17 116.42 116.76 2qx1 h ASP 222 Ca -0.01 -0.31 0.08 0.00 0.02 0.00 0.00 57.03 56.81 2qx1 h ASP 222 Cb 0.23 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 2qx1 h ASP 222 CO 0.02 1.06 0.58 0.58 -1.72 0.00 0.00 179.24 179.75 2qx1 h VAL 223 N 0.91 1.02 -0.66 -1.35 2.07 -1.45 -0.04 116.25 116.74 2qx1 h VAL 223 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2qx1 h VAL 223 Cb 0.55 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2qx1 h VAL 223 CO 0.03 0.19 0.38 1.23 0.02 0.00 0.00 177.57 179.41 2qx1 h GLY 224 N 1.02 0.97 1.23 2.17 0.00 -0.09 -2.60 103.07 105.77 2qx1 h GLY 224 Ca 0.41 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2qx1 h GLY 224 CO -0.20 0.40 -0.46 3.21 0.00 0.00 0.00 176.54 179.49 2qx1 h ARG 225 N 0.92 0.82 -0.48 4.80 3.08 0.15 -3.04 114.38 120.63 2qx1 h ARG 225 Ca 0.24 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2qx1 h ARG 225 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2qx1 h ARG 225 CO -0.04 1.10 0.20 0.00 -1.07 0.00 0.00 179.97 180.17 2qx1 h ARG 226 N 0.66 0.71 -0.74 0.04 3.08 -1.00 0.88 114.38 118.01 2qx1 h ARG 226 Ca 0.04 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.08 2qx1 h ARG 226 Cb 1.04 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.89 2qx1 h ARG 226 CO 0.10 0.63 0.35 0.00 -1.07 0.00 0.00 179.97 179.98 2qx1 h ALA 227 N 1.05 1.04 0.00 0.04 0.00 -1.44 0.22 119.26 120.17 2qx1 h ALA 227 Ca 0.16 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2qx1 h ALA 227 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qx1 h ALA 227 CO -0.02 -0.09 -0.68 0.52 0.00 0.00 0.00 179.25 178.99 2qx1 h MET 228 N 0.57 0.00 -0.26 0.00 2.86 -1.41 -2.50 114.93 114.19 2qx1 h MET 228 Ca 0.38 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.99 2qx1 h MET 228 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2qx1 h MET 228 CO -0.31 0.68 0.06 0.22 1.06 0.00 0.00 176.91 178.61 2qx1 h ASP 229 N 0.00 0.41 0.44 1.22 3.58 0.78 -0.79 116.42 122.05 2qx1 h ASP 229 Ca -0.01 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2qx1 h ASP 229 Cb 1.36 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2qx1 h ASP 229 CO 0.09 0.55 -0.43 0.00 -2.88 0.00 0.00 179.24 176.56 2qx1 h ALA 230 N 0.88 1.28 -0.00 -0.78 0.00 -0.66 -2.86 119.26 117.13 2qx1 h ALA 230 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qx1 h ALA 230 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qx1 h ALA 230 CO 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 179.25 179.52 2qx1 n ALA 231 N -2.45 3.02 -2.97 0.00 0.00 -0.94 -4.66 120.51 112.51 2qx1 n ALA 231 Ca -0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2qx1 n ALA 231 Cb 0.46 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 1.46 -0.02 3.21 0.00 0.00 -0.53 -5.02 105.19 104.29 2qx1 n GLY 232 Ca 0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.07 1.55 0.15 1.61 -7.23 -0.42 -5.06 120.40 107.93 2qx1 s VAL 233 Ca 0.28 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.40 2qx1 s VAL 233 Cb -0.12 -1.31 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 2qx1 s VAL 233 CO 0.35 0.36 0.52 -0.13 -0.31 0.00 0.00 175.10 175.89 2qx1 s ARG 234 N -0.65 3.91 0.47 4.82 0.52 -1.26 -4.42 118.95 122.33 2qx1 s ARG 234 Ca 0.07 0.39 0.27 0.00 -0.52 0.00 0.00 55.73 55.95 2qx1 s ARG 234 Cb -0.08 -2.90 1.33 0.00 0.52 0.00 0.00 34.95 33.82 2qx1 s ARG 234 CO -0.00 0.47 1.79 -1.35 0.02 0.00 0.00 175.30 176.23 2qx1 h PRO 235 N 3.42 0.19 0.00 3.54 0.11 -1.90 0.12 132.00 137.48 2qx1 h PRO 235 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qx1 h PRO 235 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qx1 h PRO 235 CO 0.66 0.12 0.00 0.38 -0.21 0.00 0.00 178.00 178.96 2qx1 h ASP 236 N 0.19 0.00 -0.02 -2.05 -0.00 -1.93 -2.85 116.42 109.76 2qx1 h ASP 236 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.60 2qx1 h ASP 236 Cb 1.86 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.19 2qx1 h ASP 236 CO -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 179.24 178.99 2qx1 n GLN 237 N -2.54 1.92 -2.40 4.15 6.02 0.42 -4.64 117.38 120.31 2qx1 n GLN 237 Ca -0.01 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.00 54.92 2qx1 n GLN 237 Cb 0.13 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.95 4.10 -0.10 5.09 -1.09 -1.07 -4.78 121.20 121.39 2qx1 s ILE 238 Ca 0.24 1.45 0.02 0.00 -2.23 0.00 0.00 60.65 60.13 2qx1 s ILE 238 Cb 0.18 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.88 2qx1 s ILE 238 CO 0.33 0.02 0.44 0.47 -1.23 0.00 0.00 174.94 174.97 2qx1 n ASP 239 N 5.03 1.54 -3.79 3.58 8.00 0.22 -4.73 116.55 126.41 2qx1 n ASP 239 Ca 0.11 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.72 2qx1 n ASP 239 Cb 0.46 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.02 -0.36 2.53 1.01 -0.91 -2.81 120.40 117.30 2qx1 s VAL 240 Ca -0.16 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2qx1 s VAL 240 Cb 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.35 2qx1 s VAL 240 CO 0.79 0.11 0.15 0.12 0.00 0.00 0.00 175.10 176.27 2qx1 s PHE 241 N 1.06 3.26 -0.74 5.22 5.99 -0.16 -0.07 117.98 132.54 2qx1 s PHE 241 Ca -0.09 -1.30 -0.05 0.00 0.00 0.00 0.00 56.93 55.48 2qx1 s PHE 241 Cb -0.13 -2.41 0.19 0.00 0.00 0.00 0.00 43.02 40.67 2qx1 s PHE 241 CO -0.03 -0.72 0.61 0.08 -0.00 0.00 0.00 175.22 175.16 2qx1 s VAL 242 N 1.45 4.32 0.33 3.12 1.01 0.62 -0.69 120.40 130.56 2qx1 s VAL 242 Ca 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 61.98 58.81 2qx1 s VAL 242 Cb -0.20 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2qx1 s VAL 242 CO 0.04 -0.97 0.65 -2.16 0.00 0.00 0.00 175.10 172.66 2qx1 s PRO 243 N -0.37 3.71 0.21 2.72 0.04 -1.26 -0.91 135.00 139.14 2qx1 s PRO 243 Ca 0.20 0.22 -0.32 0.00 0.04 0.00 0.00 61.00 61.14 2qx1 s PRO 243 Cb -0.15 -2.54 -0.15 0.00 0.04 0.00 0.00 34.50 31.71 2qx1 s PRO 243 CO -0.07 0.11 1.24 1.58 0.04 0.00 0.00 177.00 179.91 2qx1 n HIS 244 N -1.05 1.63 -2.67 0.56 -0.00 0.47 -4.85 115.22 109.32 2qx1 n HIS 244 Ca 0.00 0.59 -0.43 0.00 -0.00 0.00 0.00 57.72 57.88 2qx1 n HIS 244 Cb 0.54 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 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 1.73 3.61 -0.05 1.57 1.13 -1.26 -4.58 117.38 119.53 2qx1 n GLN 245 Ca 0.13 -3.79 -0.12 0.00 -1.94 0.00 0.00 57.00 51.28 2qx1 n GLN 245 Cb 0.28 -2.90 -0.14 0.00 0.11 0.00 0.00 30.24 27.58 2qx1 n GLN 245 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qx1 n ALA 246 N 4.17 1.38 -3.28 -1.58 0.00 -1.26 -3.61 120.51 116.33 2qx1 n ALA 246 Ca 0.37 -0.94 0.03 0.00 0.00 0.00 0.00 53.44 52.89 2qx1 n ALA 246 Cb 0.38 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 2qx1 n ALA 246 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qx1 s ASN 247 N -6.13 -0.34 0.44 0.00 2.47 -1.26 -4.83 114.94 105.28 2qx1 s ASN 247 Ca -0.13 0.44 0.10 0.00 0.42 0.00 0.00 52.86 53.70 2qx1 s ASN 247 Cb 0.07 1.38 0.97 0.00 -1.45 0.00 0.00 41.25 42.22 2qx1 s ASN 247 CO 0.79 -0.06 2.05 0.28 -3.72 0.00 0.00 177.10 176.44 2qx1 h SER 248 N 7.34 0.37 -0.28 -4.21 0.02 0.83 -2.25 113.55 115.36 2qx1 h SER 248 Ca -0.14 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 2qx1 h SER 248 Cb 1.12 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2qx1 h SER 248 CO 0.06 0.25 -0.26 0.03 -1.14 0.00 0.00 176.83 175.77 2qx1 h ARG 249 N 0.43 0.68 0.07 3.45 2.47 -1.84 -0.69 114.38 118.95 2qx1 h ARG 249 Ca 0.16 -0.35 0.02 0.00 -1.26 0.00 0.00 59.98 58.54 2qx1 h ARG 249 Cb 0.11 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 2qx1 h ARG 249 CO -0.04 0.96 -0.19 0.82 0.56 0.00 0.00 179.97 182.09 2qx1 h ILE 250 N 0.42 0.57 0.00 2.04 2.04 -1.85 -2.43 117.51 118.30 2qx1 h ILE 250 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2qx1 h ILE 250 Cb 0.83 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2qx1 h ILE 250 CO 0.07 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.84 2qx1 h ASN 251 N -0.34 0.00 -0.25 1.72 2.35 -1.37 -1.98 115.58 115.72 2qx1 h ASN 251 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2qx1 h ASN 251 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2qx1 h ASN 251 CO -0.13 0.16 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.42 2qx1 h GLU 252 N 0.00 0.48 -0.55 0.81 5.08 -0.88 -2.91 114.58 116.61 2qx1 h GLU 252 Ca -0.00 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2qx1 h GLU 252 Cb 0.54 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2qx1 h GLU 252 CO 0.02 0.70 0.08 -0.07 -1.00 0.00 0.00 179.01 178.74 2qx1 h LEU 253 N 0.22 0.89 -1.75 1.33 3.38 -0.90 -2.64 115.31 115.83 2qx1 h LEU 253 Ca 0.06 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2qx1 h LEU 253 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qx1 h LEU 253 CO 0.02 0.93 0.23 -0.07 0.09 0.00 0.00 178.44 179.64 2qx1 h LEU 254 N 0.81 0.28 -0.20 1.67 3.38 -1.43 -2.12 115.31 117.69 2qx1 h LEU 254 Ca 0.17 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2qx1 h LEU 254 Cb 0.43 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qx1 h LEU 254 CO 0.01 0.19 -0.24 0.58 0.09 0.00 0.00 178.44 179.07 2qx1 h VAL 255 N 0.32 1.33 0.61 1.22 2.07 -1.26 -0.20 116.25 120.33 2qx1 h VAL 255 Ca 0.14 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 2qx1 h VAL 255 Cb 0.16 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2qx1 h VAL 255 CO -0.03 0.44 -0.29 0.50 0.02 0.00 0.00 177.57 178.21 2qx1 h LYS 256 N 0.19 -0.79 -0.75 1.57 1.63 -1.44 -3.12 116.57 113.87 2qx1 h LYS 256 Ca 0.03 0.05 0.17 0.00 -0.85 0.00 0.00 60.65 60.05 2qx1 h LYS 256 Cb 0.81 0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 32.50 2qx1 h LYS 256 CO 0.06 -0.51 0.11 -0.97 -3.45 0.00 0.00 179.45 174.68 2qx1 h ASN 257 N -0.85 -0.14 0.70 4.20 -0.73 -1.37 -1.46 115.58 115.92 2qx1 h ASN 257 Ca -0.08 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2qx1 h ASN 257 Cb 0.64 0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.49 2qx1 h ASN 257 CO 0.14 -0.11 0.00 0.18 -0.37 0.00 0.00 177.43 177.27 2qx1 n LEU 258 N -5.24 0.00 -3.23 0.34 4.77 -0.09 -4.93 117.00 108.62 2qx1 n LEU 258 Ca 0.14 0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 56.53 2qx1 n LEU 258 Cb 0.48 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2qx1 n LEU 258 CO 0.09 -0.13 0.18 0.00 -1.33 0.00 0.00 177.39 176.20 2qx1 n GLN 259 N -1.49 -1.55 -2.87 3.23 1.13 -0.55 -4.88 117.38 110.40 2qx1 n GLN 259 Ca 0.05 1.19 -0.20 0.00 -1.94 0.00 0.00 57.00 56.11 2qx1 n GLN 259 Cb 0.24 -5.32 0.05 0.00 0.11 0.00 0.00 30.24 25.32 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 -4.63 3.30 0.47 1.08 1.43 -1.25 -4.37 118.68 114.70 2qx1 s LEU 260 Ca 0.15 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2qx1 s LEU 260 Cb -0.03 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.82 2qx1 s LEU 260 CO 0.77 -1.19 1.12 0.54 0.23 0.00 0.00 176.35 177.82 2qx1 n ARG 261 N -2.23 1.49 0.24 1.70 1.74 -1.26 -4.87 116.66 113.47 2qx1 n ARG 261 Ca 0.11 0.54 0.18 0.00 -0.77 0.00 0.00 57.85 57.91 2qx1 n ARG 261 Cb 0.60 -2.23 0.88 0.00 -1.02 0.00 0.00 32.46 30.69 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 1.51 0.00 -0.10 5.56 0.11 -1.99 -2.38 132.00 134.71 2qx1 h PRO 262 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qx1 h PRO 262 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qx1 h PRO 262 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2qx1 n ASP 263 N -3.62 2.59 -4.71 -2.05 5.75 -1.26 -4.96 116.55 108.28 2qx1 n ASP 263 Ca 0.00 -1.85 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 2qx1 n ASP 263 Cb 0.29 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 2qx1 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qx1 s ALA 263 N -1.89 3.88 -0.46 2.12 0.00 -0.90 -4.90 121.76 119.61 2qx1 s ALA 263 Ca 0.33 1.54 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 2qx1 s ALA 263 Cb 0.20 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2qx1 s ALA 263 CO 0.31 -1.01 1.34 0.08 0.00 0.00 0.00 175.76 176.48 2qx1 s VAL 264 N 1.67 3.95 -0.12 0.00 1.01 -1.13 -4.87 120.40 120.91 2qx1 s VAL 264 Ca 0.76 0.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.49 2qx1 s VAL 264 Cb -0.48 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 2qx1 s VAL 264 CO 0.33 -0.91 0.56 -0.69 0.00 0.00 0.00 175.10 174.39 2qx1 s VAL 265 N 5.31 5.12 0.22 2.92 1.01 -1.26 -0.98 120.40 132.74 2qx1 s VAL 265 Ca 0.56 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 63.34 2qx1 s VAL 265 Cb -0.11 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 2qx1 s VAL 265 CO 0.31 0.27 1.70 0.00 0.00 0.00 0.00 175.10 177.37 2qx1 n ALA 266 N 3.96 2.71 -2.64 5.51 0.00 0.13 -4.91 120.51 125.27 2qx1 n ALA 266 Ca -0.05 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.81 2qx1 n ALA 266 Cb 0.51 -2.50 0.03 0.00 0.00 0.00 0.00 19.45 17.49 2qx1 n ALA 266 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qx1 n ASN 267 N 3.63 1.16 0.32 0.00 4.05 -1.26 -4.84 115.26 118.31 2qx1 n ASN 267 Ca 0.15 -2.01 0.21 0.00 0.45 0.00 0.00 54.58 53.38 2qx1 n ASN 267 Cb 0.35 -0.35 1.13 0.00 1.23 0.00 0.00 39.78 42.14 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 1.70 0.00 -0.33 1.20 3.58 -1.90 -2.97 116.42 117.69 2qx1 h ASP 268 Ca -0.20 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.32 2qx1 h ASP 268 Cb 1.60 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.63 2qx1 h ASP 268 CO 0.12 0.00 0.23 -0.29 -2.88 0.00 0.00 179.24 176.42 2qx1 h ILE 269 N 0.00 0.89 -0.67 2.25 2.10 -1.90 -2.36 117.51 117.82 2qx1 h ILE 269 Ca 0.00 -0.04 0.19 0.00 1.08 0.00 0.00 64.86 66.10 2qx1 h ILE 269 Cb 0.02 0.77 -0.03 0.00 -1.09 0.00 0.00 36.82 36.50 2qx1 h ILE 269 CO 0.00 0.02 0.49 -0.08 -1.08 0.00 0.00 178.15 177.50 2qx1 h GLU 270 N 0.11 0.00 0.00 2.19 4.81 -1.61 -1.82 114.58 118.26 2qx1 h GLU 270 Ca 0.15 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2qx1 h GLU 270 Cb 0.46 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.72 2qx1 h GLU 270 CO -0.02 0.00 -0.62 0.72 -0.73 0.00 0.00 179.01 178.37 2qx1 n HIS 271 N -4.29 0.00 0.00 0.92 8.25 -0.96 -1.52 115.22 117.61 2qx1 n HIS 271 Ca 0.13 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2qx1 n HIS 271 Cb 0.75 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.06 0.00 -3.66 1.59 -1.04 -0.93 -4.53 114.28 105.65 2qx1 n THR 272 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2qx1 n THR 272 Cb 0.83 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 1.56 -1.98 3.48 3.41 0.00 -0.70 -4.24 105.19 106.72 2qx1 n GLY 273 Ca 0.00 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 6.42 -0.15 1.61 2.47 -0.56 -4.64 114.94 116.09 2qx1 s ASN 274 Ca 0.00 -1.45 0.05 0.00 0.42 0.00 0.00 52.86 51.89 2qx1 s ASN 274 Cb 0.00 -2.45 0.38 0.00 -1.45 0.00 0.00 41.25 37.73 2qx1 s ASN 274 CO 0.00 -1.34 1.22 0.35 -3.72 0.00 0.00 177.10 173.60 2qx1 n THR 275 N 5.99 1.58 -0.10 -5.21 -2.24 -1.26 -2.59 114.28 110.44 2qx1 n THR 275 Ca 0.15 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2qx1 n THR 275 Cb 0.48 -0.50 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 0.12 0.00 0.26 3.42 2.88 -1.26 -2.01 113.62 117.03 2qx1 n SER 276 Ca 0.18 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.83 2qx1 n SER 276 Cb 0.83 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.86 2qx1 n SER 276 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qx1 h ALA 277 N -0.69 1.30 -0.02 -1.46 0.00 -1.77 0.15 119.26 116.77 2qx1 h ALA 277 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qx1 h ALA 277 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qx1 h ALA 277 CO 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 179.25 178.80 2qx1 n ALA 278 N -1.73 2.86 0.28 0.00 0.00 -0.85 -4.27 120.51 116.81 2qx1 n ALA 278 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2qx1 n ALA 278 Cb 0.38 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 2qx1 n ALA 278 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2qx1 h SER 279 N 2.65 -0.61 0.14 0.00 0.02 -0.81 -2.62 113.55 112.31 2qx1 h SER 279 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2qx1 h SER 279 Cb 0.67 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2qx1 h SER 279 CO 0.00 -0.42 -0.07 0.40 -1.14 0.00 0.00 176.83 175.60 2qx1 h ILE 280 N -0.69 0.95 -0.58 3.27 2.04 -1.81 0.34 117.51 121.04 2qx1 h ILE 280 Ca -0.06 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2qx1 h ILE 280 Cb 0.53 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2qx1 h ILE 280 CO 0.10 0.09 0.36 1.55 0.00 0.00 0.00 178.15 180.24 2qx1 h PRO 281 N -0.35 0.78 -0.57 2.37 0.13 -1.87 0.43 132.00 132.92 2qx1 h PRO 281 Ca -0.02 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2qx1 h PRO 281 Cb 0.28 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.19 2qx1 h PRO 281 CO 0.03 0.55 0.26 -0.07 -0.23 0.00 0.00 178.00 178.54 2qx1 h LEU 282 N 0.78 0.34 -1.00 1.56 3.38 -1.41 -1.90 115.31 117.05 2qx1 h LEU 282 Ca 0.21 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2qx1 h LEU 282 Cb -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qx1 h LEU 282 CO -0.04 0.22 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 2qx1 h ALA 283 N 1.34 1.17 -0.58 1.53 0.00 0.30 -1.41 119.26 121.62 2qx1 h ALA 283 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qx1 h ALA 283 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2qx1 h ALA 283 CO -0.22 0.54 0.25 0.52 0.00 0.00 0.00 179.25 180.34 2qx1 h MET 284 N 0.65 0.86 -0.25 0.00 2.86 0.22 -2.42 114.93 116.84 2qx1 h MET 284 Ca 0.13 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2qx1 h MET 284 Cb 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2qx1 h MET 284 CO 0.02 0.73 -0.38 0.00 1.06 0.00 0.00 176.91 178.33 2qx1 h ALA 285 N 1.09 0.86 -0.08 6.32 0.00 -0.77 -0.64 119.26 126.04 2qx1 h ALA 285 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qx1 h ALA 285 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qx1 h ALA 285 CO -0.02 0.64 0.02 1.49 0.00 0.00 0.00 179.25 181.38 2qx1 h GLU 286 N 0.48 0.13 -0.94 0.00 4.22 -1.22 0.87 114.58 118.12 2qx1 h GLU 286 Ca 0.05 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.51 2qx1 h GLU 286 Cb 0.88 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 2qx1 h GLU 286 CO 0.08 0.31 0.61 -0.07 -2.18 0.00 0.00 179.01 177.76 2qx1 h LEU 287 N -0.07 0.98 -0.11 1.64 3.38 -1.35 -1.47 115.31 118.31 2qx1 h LEU 287 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2qx1 h LEU 287 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qx1 h LEU 287 CO -0.00 0.65 -0.02 -0.07 0.09 0.00 0.00 178.44 179.09 2qx1 h LEU 288 N 1.13 0.21 -0.61 1.67 3.38 -0.76 -1.78 115.31 118.55 2qx1 h LEU 288 Ca 0.39 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2qx1 h LEU 288 Cb 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2qx1 h LEU 288 CO -0.14 0.50 0.25 0.74 0.09 0.00 0.00 178.44 179.89 2qx1 h THR 289 N -0.09 0.81 0.00 0.22 2.02 0.12 -2.52 112.91 113.46 2qx1 h THR 289 Ca 0.03 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 2qx1 h THR 289 Cb 0.41 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2qx1 h THR 289 CO 0.01 0.08 -0.64 0.71 0.37 0.00 0.00 175.52 176.05 2qx1 h THR 290 N 0.45 1.40 0.00 3.16 1.35 -1.29 -3.48 112.91 114.50 2qx1 h THR 290 Ca 0.30 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 2qx1 h THR 290 Cb 0.35 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2qx1 h THR 290 CO -0.28 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2qx1 n GLY 291 N 0.41 2.90 0.45 5.82 0.00 -0.94 -4.94 105.19 108.88 2qx1 n GLY 291 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 2.56 -3.71 4.61 0.00 -1.82 -3.39 119.26 117.52 2qx1 h ALA 292 Ca 0.00 0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.26 2qx1 h ALA 292 Cb 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.66 2qx1 h ALA 292 CO 0.00 -0.95 -0.77 0.00 0.00 0.00 0.00 179.25 177.53 2qx1 s ALA 293 N -5.28 2.78 0.01 0.00 0.00 -0.71 -4.89 121.76 113.66 2qx1 s ALA 293 Ca -0.07 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2qx1 s ALA 293 Cb 0.24 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2qx1 s ALA 293 CO 0.80 0.61 -0.14 0.15 0.00 0.00 0.00 175.76 177.18 2qx1 s LYS 294 N -1.96 1.03 -0.30 0.00 1.02 -1.26 -4.35 119.74 113.91 2qx1 s LYS 294 Ca 0.18 -0.59 -0.41 0.00 0.02 0.00 0.00 55.97 55.17 2qx1 s LYS 294 Cb -0.11 -1.01 -0.17 0.00 -0.52 0.00 0.00 37.83 36.03 2qx1 s LYS 294 CO 0.10 0.27 1.69 -2.30 -0.92 0.00 0.00 175.35 174.18 2qx1 n PRO 295 N 2.42 0.90 0.00 -1.68 -0.02 -1.26 -1.31 135.00 134.05 2qx1 n PRO 295 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2qx1 n PRO 295 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 4.03 1.48 3.76 -1.23 0.00 0.65 -4.87 105.19 109.01 2qx1 n GLY 296 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 3.52 -4.60 1.61 10.43 -0.43 -4.33 116.55 122.76 2qx1 n ASP 297 Ca 0.00 1.20 -0.43 0.00 2.57 0.00 0.00 54.79 58.13 2qx1 n ASP 297 Cb 0.00 -1.60 -0.03 0.00 1.84 0.00 0.00 41.12 41.33 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 -2.08 3.85 -0.06 0.64 2.96 -1.26 -0.81 118.68 121.92 2qx1 s LEU 298 Ca 0.56 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 2qx1 s LEU 298 Cb -0.48 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 42.79 2qx1 s LEU 298 CO 0.62 -1.07 -0.09 0.00 -1.32 0.00 0.00 176.35 174.49 2qx1 s ALA 299 N 3.95 2.88 -0.32 5.97 0.00 0.34 0.69 121.76 135.26 2qx1 s ALA 299 Ca 0.42 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2qx1 s ALA 299 Cb -0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2qx1 s ALA 299 CO 0.25 0.57 0.26 -1.17 0.00 0.00 0.00 175.76 175.67 2qx1 s LEU 300 N -0.78 4.36 -0.31 0.00 2.96 0.91 -0.14 118.68 125.67 2qx1 s LEU 300 Ca 0.12 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 2qx1 s LEU 300 Cb -0.11 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 2qx1 s LEU 300 CO 0.01 -0.21 0.18 -0.76 -1.32 0.00 0.00 176.35 174.26 2qx1 s LEU 301 N 1.81 4.16 -0.11 -0.68 1.43 -0.03 -0.28 118.68 124.97 2qx1 s LEU 301 Ca 0.08 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2qx1 s LEU 301 Cb -0.17 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2qx1 s LEU 301 CO 0.11 -0.15 -0.17 -0.63 0.23 0.00 0.00 176.35 175.73 2qx1 s ILE 302 N 1.69 1.66 -0.06 -0.59 1.01 -0.09 -1.84 121.20 122.98 2qx1 s ILE 302 Ca 0.06 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2qx1 s ILE 302 Cb -0.17 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2qx1 s ILE 302 CO 0.09 0.47 -0.22 -0.83 0.00 0.00 0.00 174.94 174.45 2qx1 s GLY 303 N 0.89 1.37 -0.08 6.18 0.00 -1.03 -0.40 107.32 114.24 2qx1 s GLY 303 Ca -0.08 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.50 2qx1 s GLY 303 CO -0.01 -0.64 0.31 -2.52 0.00 0.00 0.00 173.10 170.25 2qx1 s TYR 304 N -0.25 -0.29 -0.84 1.90 -0.85 -1.26 -1.96 117.35 113.80 2qx1 s TYR 304 Ca -0.00 0.64 0.00 0.00 -0.52 0.00 0.00 57.07 57.19 2qx1 s TYR 304 Cb -0.13 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.32 2qx1 s TYR 304 CO 0.03 -0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.22 2qx1 n GLY 305 N 2.32 -0.78 3.14 5.49 0.00 -0.97 -4.58 105.19 109.81 2qx1 n GLY 305 Ca -0.16 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2qx1 n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx1 n ALA 306 N 0.00 -4.58 -0.01 4.61 0.00 -1.26 -2.05 120.51 117.22 2qx1 n ALA 306 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2qx1 n ALA 306 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2qx1 n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx1 n GLY 307 N 2.83 1.74 3.35 0.00 0.00 -1.26 -1.69 105.19 110.16 2qx1 n GLY 307 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.78 -4.49 0.99 4.77 -0.87 -4.38 117.00 109.24 2qx1 n LEU 308 Ca 0.00 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 2qx1 n LEU 308 Cb 0.00 -2.00 -0.10 0.00 -2.33 0.00 0.00 43.42 38.99 2qx1 n LEU 308 CO 0.00 -0.63 -0.47 -0.44 -1.33 0.00 0.00 177.39 174.53 2qx1 s SER 309 N -1.67 3.77 -0.12 -1.43 0.01 -0.68 -0.90 113.70 112.67 2qx1 s SER 309 Ca 0.33 -0.84 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 2qx1 s SER 309 Cb -0.04 -0.43 0.04 0.00 0.21 0.00 0.00 66.02 65.80 2qx1 s SER 309 CO 0.81 0.08 0.31 -0.72 0.41 0.00 0.00 173.24 174.13 2qx1 s TYR 310 N -2.03 -0.39 -0.12 2.43 -0.85 -0.61 -2.30 117.35 113.49 2qx1 s TYR 310 Ca 0.26 0.92 -0.04 0.00 -0.52 0.00 0.00 57.07 57.68 2qx1 s TYR 310 Cb -0.07 0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.46 2qx1 s TYR 310 CO 0.14 -0.22 0.21 0.00 -1.52 0.00 0.00 175.55 174.16 2qx1 s ALA 311 N 0.73 -0.34 0.11 9.51 0.00 -0.83 -1.86 121.76 129.08 2qx1 s ALA 311 Ca -0.05 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.67 2qx1 s ALA 311 Cb -0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2qx1 s ALA 311 CO -0.05 -0.67 -0.19 0.00 0.00 0.00 0.00 175.76 174.85 2qx1 s ALA 312 N 2.35 1.73 0.10 0.00 0.00 0.16 -2.48 121.76 123.63 2qx1 s ALA 312 Ca 0.03 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2qx1 s ALA 312 Cb -0.12 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2qx1 s ALA 312 CO -0.08 0.31 0.39 1.14 0.00 0.00 0.00 175.76 177.52 2qx1 s GLN 313 N -2.03 1.02 0.01 0.00 0.00 -0.77 -0.66 119.66 117.23 2qx1 s GLN 313 Ca 0.06 -0.65 -0.20 0.00 -0.00 0.00 0.00 55.36 54.58 2qx1 s GLN 313 Cb -0.09 0.45 -0.06 0.00 0.00 0.00 0.00 33.01 33.31 2qx1 s GLN 313 CO 0.04 -0.38 0.57 0.08 0.00 0.00 0.00 175.29 175.60 2qx1 s VAL 314 N -3.51 4.88 0.08 3.63 1.01 -1.26 -0.86 120.40 124.37 2qx1 s VAL 314 Ca 0.01 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 2qx1 s VAL 314 Cb 0.01 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2qx1 s VAL 314 CO -0.10 0.47 0.05 0.68 0.00 0.00 0.00 175.10 176.19 2qx1 s VAL 315 N -0.48 0.18 0.18 2.92 -7.23 0.80 -0.55 120.40 116.22 2qx1 s VAL 315 Ca 0.30 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 2qx1 s VAL 315 Cb -0.18 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 2qx1 s VAL 315 CO 0.17 -0.81 0.54 -0.13 -0.31 0.00 0.00 175.10 174.55 2qx1 s ARG 316 N -3.93 3.87 0.29 4.82 0.52 -0.42 0.13 118.95 124.23 2qx1 s ARG 316 Ca 0.09 0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.37 2qx1 s ARG 316 Cb 0.07 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 2qx1 s ARG 316 CO -0.08 0.41 1.04 -1.64 0.02 0.00 0.00 175.30 175.04 2qx1 s MET 317 N -2.38 4.64 0.31 3.54 -1.94 0.01 -4.56 119.30 118.93 2qx1 s MET 317 Ca 0.42 1.65 -0.02 0.00 -1.71 0.00 0.00 55.69 56.03 2qx1 s MET 317 Cb -0.13 -3.11 0.07 0.00 2.01 0.00 0.00 34.83 33.66 2qx1 s MET 317 CO 0.20 0.26 0.43 -0.35 -0.01 0.00 0.00 175.02 175.55 2qx1 n PRO 317 N 1.08 0.12 -0.82 2.03 -0.04 -1.26 -0.25 135.00 135.86 2qx1 n PRO 317 Ca -0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 2qx1 n PRO 317 Cb 0.46 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 2qx1 n PRO 317 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09