#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s GLN 2 N 0.00 0.52 -0.08 2.12 1.03 -1.26 -3.46 119.66 118.53 2qa4 s GLN 2 Ca 0.00 0.65 0.03 0.00 0.04 0.00 0.00 55.36 56.09 2qa4 s GLN 2 Cb 0.00 0.23 -0.01 0.00 0.03 0.00 0.00 33.01 33.26 2qa4 s GLN 2 CO 0.00 -0.07 -0.19 0.00 -2.54 0.00 0.00 175.29 172.49 2qa4 s ALA 3 N 0.36 2.42 -0.23 2.60 0.00 0.48 -4.58 121.76 122.81 2qa4 s ALA 3 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 2qa4 s ALA 3 Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2qa4 s ALA 3 CO -0.01 0.38 0.62 0.99 0.00 0.00 0.00 175.76 177.74 2qa4 s THR 4 N -0.06 5.01 0.47 0.00 2.01 -1.26 -0.06 115.64 121.75 2qa4 s THR 4 Ca -0.05 1.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.90 2qa4 s THR 4 Cb -0.14 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 2qa4 s THR 4 CO 0.04 0.07 0.97 -0.63 -0.69 0.00 0.00 174.62 174.38 2qa4 s ILE 5 N 2.22 4.43 -0.02 1.82 1.01 -1.18 -4.08 121.20 125.41 2qa4 s ILE 5 Ca 0.27 1.37 0.04 0.00 0.00 0.00 0.00 60.65 62.33 2qa4 s ILE 5 Cb -0.16 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2qa4 s ILE 5 CO 0.09 -0.47 -0.13 -0.31 0.00 0.00 0.00 174.94 174.13 2qa4 s TYR 6 N -2.36 1.21 0.60 3.97 1.51 -0.61 -0.70 117.35 120.98 2qa4 s TYR 6 Ca 0.61 -0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2qa4 s TYR 6 Cb -0.10 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 2qa4 s TYR 6 CO 0.21 -0.06 0.98 0.16 -1.11 0.00 0.00 175.55 175.73 2qa4 s ASP 7 N -0.15 6.15 0.00 2.29 -4.77 -1.07 -2.89 116.67 116.23 2qa4 s ASP 7 Ca 0.02 1.27 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 2qa4 s ASP 7 Cb -0.07 -2.35 0.00 0.00 -1.09 0.00 0.00 42.92 39.41 2qa4 s ASP 7 CO 0.00 -0.86 0.12 0.18 0.70 0.00 0.00 175.17 175.31 2qa4 n LEU 8 N -2.67 0.10 -0.01 2.11 4.77 -1.26 -1.19 117.00 118.85 2qa4 n LEU 8 Ca 0.05 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2qa4 n LEU 8 Cb 0.55 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2qa4 n LEU 8 CO 0.57 0.02 -0.59 0.47 -1.33 0.00 0.00 177.39 176.54 2qa4 n ASP 9 N 0.04 3.85 0.00 -1.43 8.00 -1.26 -4.77 116.55 120.98 2qa4 n ASP 9 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2qa4 n ASP 9 Cb 0.02 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 2qa4 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qa4 n GLY 10 N 2.37 1.28 3.38 0.44 0.00 -0.33 -4.91 105.19 107.41 2qa4 n GLY 10 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2qa4 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qa4 s ASN 11 N -2.00 3.36 0.50 1.61 0.01 -1.26 -4.82 114.94 112.34 2qa4 s ASN 11 Ca 0.00 -0.51 -0.21 0.00 -0.71 0.00 0.00 52.86 51.44 2qa4 s ASN 11 Cb 0.00 -0.41 -0.10 0.00 0.41 0.00 0.00 41.25 41.15 2qa4 s ASN 11 CO 0.00 0.27 0.71 0.35 -1.51 0.00 0.00 177.10 176.93 2qa4 n THR 12 N 1.86 2.38 -3.14 1.60 -2.24 -1.26 -2.59 114.28 110.89 2qa4 n THR 12 Ca -0.17 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 2qa4 n THR 12 Cb 0.52 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 2qa4 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qa4 n ASP 13 N 0.52 0.56 0.00 3.42 -0.08 0.13 -4.78 116.55 116.32 2qa4 n ASP 13 Ca 0.11 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2qa4 n ASP 13 Cb 0.43 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2qa4 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qa4 n GLY 14 N 0.28 -1.19 3.65 0.27 0.00 -1.26 -4.61 105.19 102.32 2qa4 n GLY 14 Ca 0.23 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 2qa4 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qa4 s GLU 15 N 0.00 0.16 0.36 1.61 -1.05 -1.26 -3.08 118.70 115.44 2qa4 s GLU 15 Ca 0.00 0.21 0.03 0.00 -0.15 0.00 0.00 54.97 55.06 2qa4 s GLU 15 Cb 0.00 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2qa4 s GLU 15 CO 0.00 -0.02 0.27 0.28 0.95 0.00 0.00 175.26 176.74 2qa4 n VAL 16 N 2.01 0.00 -3.48 1.83 0.31 0.92 -4.90 118.33 115.03 2qa4 n VAL 16 Ca -0.12 -1.43 -0.37 0.00 -0.01 0.00 0.00 64.34 62.41 2qa4 n VAL 16 Cb 0.57 -0.19 -0.07 0.00 -0.91 0.00 0.00 33.84 33.23 2qa4 n VAL 16 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2qa4 s ASP 17 N -3.11 6.41 -0.13 4.52 1.01 -1.26 0.18 116.67 124.29 2qa4 s ASP 17 Ca 0.20 0.48 -0.29 0.00 0.71 0.00 0.00 52.55 53.65 2qa4 s ASP 17 Cb -0.02 -2.20 -0.06 0.00 1.01 0.00 0.00 42.92 41.66 2qa4 s ASP 17 CO 0.13 0.02 1.92 -0.22 0.21 0.00 0.00 175.17 177.23 2qa4 s LEU 18 N 0.89 3.95 1.10 1.23 2.96 -1.22 -4.70 118.68 122.88 2qa4 s LEU 18 Ca 0.17 2.08 -0.18 0.00 -0.22 0.00 0.00 54.13 55.97 2qa4 s LEU 18 Cb -0.14 -3.52 0.13 0.00 0.50 0.00 0.00 46.19 43.15 2qa4 s LEU 18 CO 0.06 -1.40 0.07 -0.81 -1.32 0.00 0.00 176.35 172.94 2qa4 n PRO 19 N 7.95 -1.92 -0.27 0.98 -0.04 -1.26 -3.81 135.00 136.63 2qa4 n PRO 19 Ca 0.23 -0.55 -0.07 0.00 -0.04 0.00 0.00 63.50 63.07 2qa4 n PRO 19 Cb 0.44 -1.61 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2qa4 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2qa4 h ASP 20 N -2.29 1.07 -0.45 3.54 5.19 -1.92 -3.17 116.42 118.39 2qa4 h ASP 20 Ca -0.44 -0.20 0.09 0.00 -0.62 0.00 0.00 57.03 55.86 2qa4 h ASP 20 Cb 1.19 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2qa4 h ASP 20 CO 0.30 0.99 0.31 -0.37 -3.12 0.00 0.00 179.24 177.35 2qa4 h VAL 21 N 1.10 0.88 0.00 -1.35 -1.51 -1.92 0.81 116.25 114.26 2qa4 h VAL 21 Ca 0.24 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 2qa4 h VAL 21 Cb 0.29 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2qa4 h VAL 21 CO -0.01 0.04 0.00 0.49 -1.23 0.00 0.00 177.57 176.86 2qa4 n PHE 22 N -4.46 0.00 -0.42 5.19 3.01 -1.20 -1.51 117.46 118.09 2qa4 n PHE 22 Ca 0.07 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.57 2qa4 n PHE 22 Cb 0.37 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.93 2qa4 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qa4 n GLU 23 N -0.59 2.49 -3.00 -1.08 1.02 0.28 -4.71 120.64 115.05 2qa4 n GLU 23 Ca 0.03 -2.01 -0.39 0.00 -0.02 0.00 0.00 57.16 54.76 2qa4 n GLU 23 Cb 0.01 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 2qa4 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qa4 s THR 24 N -1.69 4.48 0.30 2.62 2.01 -0.57 -5.01 115.64 117.78 2qa4 s THR 24 Ca 0.16 1.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 2qa4 s THR 24 Cb 0.13 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 2qa4 s THR 24 CO 0.04 0.48 1.47 -0.81 -0.69 0.00 0.00 174.62 175.11 2qa4 n PRO 25 N 1.91 2.40 -2.70 4.92 -0.04 -1.26 -4.77 135.00 135.46 2qa4 n PRO 25 Ca -0.05 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 63.83 2qa4 n PRO 25 Cb 0.49 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 2qa4 n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qa4 s VAL 26 N -0.39 4.21 -1.12 0.52 1.01 -1.26 -4.69 120.40 118.68 2qa4 s VAL 26 Ca 0.62 0.69 -0.08 0.00 0.00 0.00 0.00 61.98 63.21 2qa4 s VAL 26 Cb -0.55 -4.62 0.28 0.00 0.00 0.00 0.00 36.38 31.49 2qa4 s VAL 26 CO 0.54 -1.18 1.20 -1.14 0.00 0.00 0.00 175.10 174.52 2qa4 n ARG 27 N 7.91 3.72 0.01 2.72 3.00 -1.26 -4.89 116.66 127.87 2qa4 n ARG 27 Ca 0.06 -4.46 0.23 0.00 -0.00 0.00 0.00 57.85 53.68 2qa4 n ARG 27 Cb 0.48 -2.56 0.71 0.00 0.00 0.00 0.00 32.46 31.09 2qa4 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2qa4 h SER 28 N 6.42 0.00 0.10 6.15 4.64 -1.95 -1.11 113.55 127.80 2qa4 h SER 28 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2qa4 h SER 28 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2qa4 h SER 28 CO 1.09 0.00 -0.05 -2.24 -0.87 0.00 0.00 176.83 174.76 2qa4 h ASP 29 N 0.00 -0.12 -0.78 4.97 2.03 -1.93 -1.98 116.42 118.61 2qa4 h ASP 29 Ca 0.27 -0.46 0.13 0.00 -0.73 0.00 0.00 57.03 56.24 2qa4 h ASP 29 Cb 1.41 0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 39.89 2qa4 h ASP 29 CO -0.00 0.48 0.51 -0.07 -1.03 0.00 0.00 179.24 179.13 2qa4 h LEU 30 N -0.80 0.51 -0.13 0.15 3.38 -1.64 -0.21 115.31 116.57 2qa4 h LEU 30 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qa4 h LEU 30 Cb 0.57 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qa4 h LEU 30 CO 0.02 0.28 -0.02 0.40 0.09 0.00 0.00 178.44 179.21 2qa4 h ILE 31 N 0.56 1.28 -0.66 1.22 2.04 -1.46 -2.03 117.51 118.46 2qa4 h ILE 31 Ca 0.38 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.36 2qa4 h ILE 31 Cb 0.68 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2qa4 h ILE 31 CO -0.14 0.27 0.35 1.23 0.00 0.00 0.00 178.15 179.86 2qa4 h GLY 32 N -0.06 0.96 0.96 5.37 0.00 -0.30 0.24 103.07 110.24 2qa4 h GLY 32 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2qa4 h GLY 32 CO 0.01 0.12 0.14 1.70 0.00 0.00 0.00 176.54 178.51 2qa4 h LYS 33 N 0.63 0.33 -0.68 4.80 3.64 -1.05 -1.14 116.57 123.10 2qa4 h LYS 33 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2qa4 h LYS 33 Cb 0.23 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2qa4 h LYS 33 CO -0.20 0.29 0.45 0.00 -2.27 0.00 0.00 179.45 177.71 2qa4 h ALA 34 N 1.02 0.87 -0.43 5.00 0.00 -0.61 -0.85 119.26 124.26 2qa4 h ALA 34 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qa4 h ALA 34 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qa4 h ALA 34 CO -0.01 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.88 2qa4 h VAL 35 N 0.93 1.25 -0.04 0.00 2.07 -0.35 -2.45 116.25 117.66 2qa4 h VAL 35 Ca 0.25 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2qa4 h VAL 35 Cb -0.09 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2qa4 h VAL 35 CO -0.05 0.32 -0.10 -0.09 0.02 0.00 0.00 177.57 177.66 2qa4 h ARG 36 N 0.58 -0.15 -0.98 1.57 2.43 -0.90 -0.31 114.38 116.61 2qa4 h ARG 36 Ca 0.13 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.55 2qa4 h ARG 36 Cb 0.40 0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 29.86 2qa4 h ARG 36 CO 0.01 -0.10 0.54 0.00 -1.51 0.00 0.00 179.97 178.91 2qa4 h ALA 37 N 0.85 1.70 0.23 2.80 0.00 -1.00 0.55 119.26 124.40 2qa4 h ALA 37 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qa4 h ALA 37 Cb 0.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qa4 h ALA 37 CO -0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 179.25 178.71 2qa4 h ALA 38 N 1.73 -0.57 -0.83 0.00 0.00 -0.78 -2.41 119.26 116.39 2qa4 h ALA 38 Ca 0.63 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.67 2qa4 h ALA 38 Cb 1.19 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 2qa4 h ALA 38 CO -0.49 -0.55 0.18 1.96 0.00 0.00 0.00 179.25 180.35 2qa4 h GLN 39 N -0.56 0.20 -0.11 0.00 4.20 -0.48 0.36 115.11 118.72 2qa4 h GLN 39 Ca -0.03 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2qa4 h GLN 39 Cb 0.24 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2qa4 h GLN 39 CO 0.05 0.13 -0.23 0.00 -0.67 0.00 0.00 178.83 178.11 2qa4 h ALA 40 N 1.73 1.41 0.00 3.87 0.00 -0.01 -3.19 119.26 123.07 2qa4 h ALA 40 Ca 0.50 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2qa4 h ALA 40 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2qa4 h ALA 40 CO -0.63 0.42 -0.57 -0.91 0.00 0.00 0.00 179.25 177.56 2qa4 h ASN 41 N 0.17 0.00 -0.16 0.00 2.35 0.26 -3.16 115.58 115.05 2qa4 h ASN 41 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2qa4 h ASN 41 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2qa4 h ASN 41 CO 0.04 0.57 0.00 -2.11 -1.65 0.00 0.00 177.43 174.28 2qa4 n ARG 42 N -3.69 1.38 -2.96 0.81 1.85 -1.15 -4.83 116.66 108.08 2qa4 n ARG 42 Ca -0.01 -0.59 -0.40 0.00 -1.00 0.00 0.00 57.85 55.85 2qa4 n ARG 42 Cb 0.61 -1.15 -0.04 0.00 -1.05 0.00 0.00 32.46 30.82 2qa4 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2qa4 s LYS 43 N -1.79 4.48 0.56 2.89 3.01 -1.19 -5.05 119.74 122.65 2qa4 s LYS 43 Ca 0.13 1.04 -0.15 0.00 -1.01 0.00 0.00 55.97 55.98 2qa4 s LYS 43 Cb 0.07 -3.44 -0.05 0.00 -1.01 0.00 0.00 37.83 33.40 2qa4 s LYS 43 CO 0.09 0.07 1.02 -0.65 0.51 0.00 0.00 175.35 176.40 2qa4 s GLN 44 N 0.71 3.63 0.70 1.68 -0.21 -1.26 -4.96 119.66 119.95 2qa4 s GLN 44 Ca 0.41 1.02 -0.11 0.00 0.02 0.00 0.00 55.36 56.71 2qa4 s GLN 44 Cb -0.19 -2.08 0.01 0.00 1.00 0.00 0.00 33.01 31.75 2qa4 s GLN 44 CO 0.21 -0.54 1.06 -0.51 -2.12 0.00 0.00 175.29 173.39 2qa4 s ASP 45 N -3.13 5.30 0.00 5.90 -0.00 -1.26 -5.05 116.67 118.43 2qa4 s ASP 45 Ca 0.60 1.61 0.00 0.00 -0.00 0.00 0.00 52.55 54.76 2qa4 s ASP 45 Cb -0.12 -2.47 0.00 0.00 -0.00 0.00 0.00 42.92 40.33 2qa4 s ASP 45 CO 0.37 -1.50 0.00 0.00 -0.00 0.00 0.00 175.17 174.04 2qa4 n TYR 46 N -3.16 -0.40 0.00 4.23 -0.00 -1.26 -5.04 117.16 111.52 2qa4 n TYR 46 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2qa4 n TYR 46 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 2qa4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qa4 n GLY 47 N 0.00 0.73 4.01 -7.48 0.00 -1.26 -0.30 105.19 100.89 2qa4 n GLY 47 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 2qa4 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qa4 s SER 48 N 0.00 4.95 0.38 1.61 1.04 -1.20 -4.91 113.70 115.59 2qa4 s SER 48 Ca 0.00 -0.47 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 2qa4 s SER 48 Cb 0.00 -0.16 -0.11 0.00 0.10 0.00 0.00 66.02 65.85 2qa4 s SER 48 CO 0.00 -1.40 1.44 -0.67 0.98 0.00 0.00 173.24 173.59 2qa4 n ASP 49 N -2.41 3.50 0.09 7.02 -0.08 -1.26 -4.89 116.55 118.51 2qa4 n ASP 49 Ca 0.13 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.62 2qa4 n ASP 49 Cb 0.60 -1.59 0.31 0.00 2.34 0.00 0.00 41.12 42.79 2qa4 n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2qa4 h GLU 50 N 2.75 0.30 -0.43 -0.67 4.39 -1.99 -3.10 114.58 115.82 2qa4 h GLU 50 Ca -0.50 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2qa4 h GLU 50 Cb 1.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2qa4 h GLU 50 CO 0.63 0.50 0.00 0.66 -1.16 0.00 0.00 179.01 179.64 2qa4 n TYR 51 N -4.19 1.18 -1.80 4.33 4.02 -1.26 -4.96 117.16 114.47 2qa4 n TYR 51 Ca -0.01 -0.71 -0.42 0.00 -0.01 0.00 0.00 57.90 56.76 2qa4 n TYR 51 Cb 0.33 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.36 2qa4 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qa4 s ALA 52 N -2.19 3.80 0.00 -0.72 0.00 -1.17 -2.25 121.76 119.23 2qa4 s ALA 52 Ca 0.43 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2qa4 s ALA 52 Cb 0.31 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2qa4 s ALA 52 CO 0.16 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2qa4 n GLY 53 N 2.90 1.66 0.15 0.00 0.00 -1.26 -4.47 105.19 104.17 2qa4 n GLY 53 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2qa4 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa4 n LEU 54 N 0.00 0.66 -3.60 0.99 4.77 -0.95 -3.91 117.00 114.95 2qa4 n LEU 54 Ca 0.00 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 2qa4 n LEU 54 Cb 0.00 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2qa4 n LEU 54 CO 0.00 0.13 2.51 0.54 -1.33 0.00 0.00 177.39 179.24 2qa4 n ARG 55 N -0.89 2.36 -3.53 3.23 1.74 -1.23 -4.82 116.66 113.52 2qa4 n ARG 55 Ca 0.13 -2.18 -0.08 0.00 -0.77 0.00 0.00 57.85 54.94 2qa4 n ARG 55 Cb 0.31 -3.03 -0.03 0.00 -1.02 0.00 0.00 32.46 28.69 2qa4 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2qa4 s THR 56 N 3.79 0.00 -0.66 0.55 -1.32 -1.26 -5.04 115.64 111.70 2qa4 s THR 56 Ca 0.52 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.15 2qa4 s THR 56 Cb 0.14 -1.00 0.75 0.00 -1.51 0.00 0.00 72.50 70.88 2qa4 s THR 56 CO -0.01 0.00 1.65 -0.81 -2.21 0.00 0.00 174.62 173.25 2qa4 n PRO 57 N -0.02 4.26 -1.65 7.08 -0.04 -1.26 -5.02 135.00 138.35 2qa4 n PRO 57 Ca -0.07 -2.90 -0.47 0.00 -0.04 0.00 0.00 63.50 60.02 2qa4 n PRO 57 Cb 0.60 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 2qa4 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qa4 n ALA 58 N 0.81 0.75 -2.35 0.55 0.00 -1.26 -4.97 120.51 114.03 2qa4 n ALA 58 Ca 0.26 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 2qa4 n ALA 58 Cb 1.03 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 2qa4 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qa4 s GLU 59 N 0.48 0.92 -0.16 0.00 2.02 -1.19 -4.60 118.70 116.18 2qa4 s GLU 59 Ca 0.77 -1.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 2qa4 s GLU 59 Cb -0.74 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 2qa4 s GLU 59 CO 0.43 0.06 0.10 0.45 0.02 0.00 0.00 175.26 176.32 2qa4 s SER 60 N -2.80 6.00 0.20 -0.19 0.15 -1.26 -0.62 113.70 115.19 2qa4 s SER 60 Ca 0.11 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.98 2qa4 s SER 60 Cb 0.00 -1.98 0.16 0.00 -1.71 0.00 0.00 66.02 62.49 2qa4 s SER 60 CO -0.01 0.27 1.57 -0.26 1.20 0.00 0.00 173.24 176.01 2qa4 h PHE 61 N 5.99 0.77 0.00 3.44 -1.00 -1.93 -3.49 116.94 120.72 2qa4 h PHE 61 Ca -0.45 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.10 2qa4 h PHE 61 Cb 1.18 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.58 2qa4 h PHE 61 CO 0.64 0.94 0.00 0.41 -1.61 0.00 0.00 178.31 178.69 2qa4 n GLY 62 N 0.01 0.09 3.66 -1.45 0.00 -1.26 -4.91 105.19 101.33 2qa4 n GLY 62 Ca -0.02 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2qa4 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa4 s SER 63 N -4.00 6.86 0.00 1.61 0.01 -1.26 -4.46 113.70 112.46 2qa4 s SER 63 Ca 0.00 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2qa4 s SER 63 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2qa4 s SER 63 CO 0.00 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2qa4 n GLY 64 N 3.76 1.87 0.75 3.44 0.00 -1.26 -5.00 105.19 108.75 2qa4 n GLY 64 Ca 0.15 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.06 2qa4 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qa4 n ARG 65 N 0.00 2.28 -1.57 1.61 1.85 -1.26 -4.95 116.66 114.62 2qa4 n ARG 65 Ca 0.00 -2.87 -0.10 0.00 -1.00 0.00 0.00 57.85 53.88 2qa4 n ARG 65 Cb 0.00 -1.75 -0.03 0.00 -1.05 0.00 0.00 32.46 29.63 2qa4 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qa4 n GLY 66 N -0.87 0.77 3.59 2.89 0.00 -1.26 -5.02 105.19 105.28 2qa4 n GLY 66 Ca 0.22 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 2qa4 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qa4 s GLN 67 N -3.35 2.11 0.34 1.61 -0.21 -1.26 -5.11 119.66 113.78 2qa4 s GLN 67 Ca 0.00 -1.48 -0.27 0.00 0.02 0.00 0.00 55.36 53.64 2qa4 s GLN 67 Cb 0.00 -2.07 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 2qa4 s GLN 67 CO 0.00 0.37 1.05 0.00 -2.12 0.00 0.00 175.29 174.59 2qa4 s ALA 68 N -2.27 3.23 -0.99 6.09 0.00 -1.26 -4.81 121.76 121.74 2qa4 s ALA 68 Ca 0.30 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 2qa4 s ALA 68 Cb -0.06 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2qa4 s ALA 68 CO 0.18 -0.13 1.83 -1.01 0.00 0.00 0.00 175.76 176.63 2qa4 s HIS 69 N -1.44 2.04 -0.02 0.00 0.09 -1.26 -4.88 115.29 109.82 2qa4 s HIS 69 Ca 0.51 0.16 0.03 0.00 -0.00 0.00 0.00 55.06 55.76 2qa4 s HIS 69 Cb -0.26 -4.22 -0.00 0.00 -0.00 0.00 0.00 32.58 28.10 2qa4 s HIS 69 CO 0.32 -1.71 -0.11 0.08 -0.00 0.00 0.00 174.74 173.33 2qa4 s VAL 70 N 8.79 0.92 0.34 -0.90 1.01 -1.26 -5.02 120.40 124.28 2qa4 s VAL 70 Ca 0.64 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2qa4 s VAL 70 Cb -0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 36.38 35.44 2qa4 s VAL 70 CO -0.00 0.27 1.41 -2.84 0.00 0.00 0.00 175.10 173.94 2qa4 s PRO 71 N 0.00 4.23 -0.07 2.72 0.02 -1.26 -4.20 135.00 136.45 2qa4 s PRO 71 Ca -0.00 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 2qa4 s PRO 71 Cb -0.07 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.44 2qa4 s PRO 71 CO 0.00 -0.37 0.19 0.15 -0.33 0.00 0.00 177.00 176.64 2qa4 s LYS 72 N -1.79 0.22 -0.04 5.54 1.02 0.21 -1.92 119.74 122.98 2qa4 s LYS 72 Ca 0.52 0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.79 2qa4 s LYS 72 Cb -0.43 0.10 0.01 0.00 -0.52 0.00 0.00 37.83 36.99 2qa4 s LYS 72 CO 0.57 -0.03 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.71 2qa4 s LEU 73 N 0.11 1.64 -1.39 3.17 2.96 -0.39 -3.14 118.68 121.64 2qa4 s LEU 73 Ca -0.00 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2qa4 s LEU 73 Cb -0.01 -0.59 0.03 0.00 0.50 0.00 0.00 46.19 46.12 2qa4 s LEU 73 CO 0.00 0.03 0.44 0.47 -1.32 0.00 0.00 176.35 175.97 2qa4 n ASP 74 N 3.60 -4.86 0.00 3.68 9.92 -1.26 -1.46 116.55 126.18 2qa4 n ASP 74 Ca -0.21 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 2qa4 n ASP 74 Cb 0.53 -3.98 0.00 0.00 -0.64 0.00 0.00 41.12 37.02 2qa4 n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qa4 n GLY 75 N -1.26 2.28 3.84 0.44 0.00 -1.26 -5.00 105.19 104.23 2qa4 n GLY 75 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2qa4 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qa4 s ARG 76 N -0.02 3.97 -0.04 1.61 3.52 -0.53 -5.05 118.95 122.40 2qa4 s ARG 76 Ca 0.00 0.48 -0.22 0.00 -0.13 0.00 0.00 55.73 55.85 2qa4 s ARG 76 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2qa4 s ARG 76 CO 0.00 0.50 0.66 0.00 -0.81 0.00 0.00 175.30 175.66 2qa4 s ALA 77 N -1.42 3.39 0.29 6.12 0.00 -1.26 -1.27 121.76 127.61 2qa4 s ALA 77 Ca 0.36 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.46 2qa4 s ALA 77 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2qa4 s ALA 77 CO 0.19 -0.01 0.22 1.03 0.00 0.00 0.00 175.76 177.19 2qa4 s ARG 78 N 0.43 1.56 0.00 0.00 0.52 -0.81 -4.59 118.95 116.07 2qa4 s ARG 78 Ca 0.35 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 2qa4 s ARG 78 Cb -0.18 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.54 2qa4 s ARG 78 CO 0.18 -0.55 0.00 -2.13 0.02 0.00 0.00 175.30 172.82 2qa4 n ARG 79 N -0.51 0.00 -1.62 3.54 0.63 -1.25 -4.40 116.66 113.05 2qa4 n ARG 79 Ca 0.05 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.58 2qa4 n ARG 79 Cb 0.64 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.57 2qa4 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2qa4 n VAL 80 N 0.00 2.77 -0.35 5.15 0.24 -1.26 0.17 118.33 125.06 2qa4 n VAL 80 Ca 0.00 -0.50 0.16 0.00 -2.04 0.00 0.00 64.34 61.96 2qa4 n VAL 80 Cb 0.00 -1.18 0.36 0.00 -1.47 0.00 0.00 33.84 31.55 2qa4 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2qa4 h PRO 81 N 1.27 0.61 0.00 7.34 0.11 -1.90 -1.28 132.00 138.15 2qa4 h PRO 81 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2qa4 h PRO 81 Cb 1.34 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2qa4 h PRO 81 CO 0.55 0.40 -0.20 -0.56 -0.21 0.00 0.00 178.00 177.98 2qa4 h GLN 82 N 0.63 0.00 -7.00 1.05 -0.00 -1.90 -3.45 115.11 104.44 2qa4 h GLN 82 Ca 0.62 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.80 2qa4 h GLN 82 Cb 1.13 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.63 2qa4 h GLN 82 CO -0.45 0.20 0.40 0.00 -0.00 0.00 0.00 178.83 178.98 2qa4 s ALA 83 N -3.56 3.01 0.15 0.06 0.00 -0.48 -4.97 121.76 115.97 2qa4 s ALA 83 Ca 0.01 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2qa4 s ALA 83 Cb 0.09 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2qa4 s ALA 83 CO 0.64 -0.24 1.20 0.08 0.00 0.00 0.00 175.76 177.44 2qa4 s VAL 84 N -1.78 3.68 0.00 0.00 1.01 -1.26 -1.45 120.40 120.60 2qa4 s VAL 84 Ca 0.61 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2qa4 s VAL 84 Cb -0.20 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2qa4 s VAL 84 CO 0.25 0.18 0.00 0.29 0.00 0.00 0.00 175.10 175.82 2qa4 n LYS 85 N 2.92 0.00 -1.89 2.72 4.76 -1.26 -4.78 118.16 120.63 2qa4 n LYS 85 Ca 0.06 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2qa4 n LYS 85 Cb 0.45 -2.78 0.17 0.00 -1.84 0.00 0.00 35.03 31.03 2qa4 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2qa4 s GLY 86 N -1.99 1.73 0.92 0.72 0.00 -0.53 -4.42 107.32 103.76 2qa4 s GLY 86 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 2qa4 s GLY 86 CO 0.00 -0.36 1.10 1.09 0.00 0.00 0.00 173.10 174.93 2qa4 s ARG 87 N -5.80 1.08 -0.11 2.90 1.70 0.45 -4.61 118.95 114.56 2qa4 s ARG 87 Ca 0.71 0.64 -0.14 0.00 -0.47 0.00 0.00 55.73 56.46 2qa4 s ARG 87 Cb -0.06 -1.80 -0.05 0.00 -0.57 0.00 0.00 34.95 32.47 2qa4 s ARG 87 CO 0.52 -2.32 0.35 0.45 -1.08 0.00 0.00 175.30 173.23 2qa4 s SER 88 N -3.57 6.58 0.00 -2.89 0.15 -1.26 -3.94 113.70 108.77 2qa4 s SER 88 Ca 0.64 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2qa4 s SER 88 Cb -0.17 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2qa4 s SER 88 CO 0.56 0.16 0.90 0.00 1.20 0.00 0.00 173.24 176.06 2qa4 n ALA 89 N 3.04 -0.31 -3.73 5.45 0.00 -1.26 -4.50 120.51 119.20 2qa4 n ALA 89 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2qa4 n ALA 89 Cb 0.52 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.93 2qa4 n ALA 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qa4 s HIS 90 N -2.60 1.90 0.61 0.00 3.76 -1.26 -5.13 115.29 112.57 2qa4 s HIS 90 Ca 0.00 -2.10 0.06 0.00 -0.15 0.00 0.00 55.06 52.86 2qa4 s HIS 90 Cb 0.00 -1.83 0.09 0.00 1.11 0.00 0.00 32.58 31.96 2qa4 s HIS 90 CO 0.00 -0.84 0.85 -1.25 -0.85 0.00 0.00 174.74 172.65 2qa4 s PRO 91 N 1.00 2.13 0.61 8.40 0.04 -1.26 -5.07 135.00 140.86 2qa4 s PRO 91 Ca 0.14 -1.39 -0.18 0.00 0.04 0.00 0.00 61.00 59.60 2qa4 s PRO 91 Cb -0.21 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2qa4 s PRO 91 CO -0.12 -1.02 1.24 -2.14 0.04 0.00 0.00 177.00 175.00 2qa4 s PRO 92 N -4.81 2.82 -0.06 0.56 0.02 -1.26 -4.94 135.00 127.33 2qa4 s PRO 92 Ca 0.63 1.90 0.02 0.00 0.02 0.00 0.00 61.00 63.57 2qa4 s PRO 92 Cb -0.06 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.58 2qa4 s PRO 92 CO 0.40 -1.34 -0.09 0.15 -0.33 0.00 0.00 177.00 175.79 2qa4 s LYS 93 N -3.36 1.38 0.32 5.54 1.02 -1.24 -3.21 119.74 120.18 2qa4 s LYS 93 Ca 0.79 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.53 2qa4 s LYS 93 Cb -0.33 -1.20 0.67 0.00 -0.52 0.00 0.00 37.83 36.45 2qa4 s LYS 93 CO 0.35 -0.02 1.87 1.15 -0.92 0.00 0.00 175.35 177.79 2qa4 h THR 94 N 6.04 0.93 0.00 2.17 2.02 -1.00 -2.68 112.91 120.38 2qa4 h THR 94 Ca -0.33 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2qa4 h THR 94 Cb 1.17 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2qa4 h THR 94 CO 0.47 0.16 0.00 -0.62 0.37 0.00 0.00 175.52 175.90 2qa4 n GLU 95 N -4.56 0.58 -3.91 6.66 4.71 -1.26 -4.67 120.64 118.19 2qa4 n GLU 95 Ca 0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.99 2qa4 n GLU 95 Cb 0.35 -1.28 -0.05 0.00 -1.01 0.00 0.00 31.44 29.46 2qa4 n GLU 95 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2qa4 s LYS 96 N -0.82 3.43 -0.58 3.49 2.20 -1.01 -5.06 119.74 121.38 2qa4 s LYS 96 Ca 0.00 -0.35 -0.21 0.00 -0.36 0.00 0.00 55.97 55.05 2qa4 s LYS 96 Cb 0.00 -3.08 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 2qa4 s LYS 96 CO 0.00 0.66 0.79 0.34 -0.36 0.00 0.00 175.35 176.78 2qa4 s ASP 97 N -2.06 6.21 -0.15 1.43 3.68 -1.26 -4.89 116.67 119.63 2qa4 s ASP 97 Ca 0.29 -1.01 0.10 0.00 2.13 0.00 0.00 52.55 54.06 2qa4 s ASP 97 Cb -0.13 -2.35 0.56 0.00 -1.45 0.00 0.00 42.92 39.56 2qa4 s ASP 97 CO 0.21 -1.16 1.37 0.54 0.13 0.00 0.00 175.17 176.26 2qa4 n ARG 98 N 6.83 3.58 -4.09 4.34 1.74 -1.26 -4.92 116.66 122.88 2qa4 n ARG 98 Ca -0.05 -2.17 -0.33 0.00 -0.77 0.00 0.00 57.85 54.53 2qa4 n ARG 98 Cb 0.45 -1.97 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 2qa4 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qa4 s SER 99 N -0.59 5.70 -0.01 0.55 1.04 -1.26 -4.58 113.70 114.55 2qa4 s SER 99 Ca 0.38 0.14 0.05 0.00 0.48 0.00 0.00 55.95 57.00 2qa4 s SER 99 Cb 0.28 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 2qa4 s SER 99 CO 0.12 0.26 -0.15 -0.76 0.98 0.00 0.00 173.24 173.69 2qa4 s LEU 100 N -1.83 2.73 0.09 2.42 1.43 -1.26 -5.05 118.68 117.21 2qa4 s LEU 100 Ca 0.24 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2qa4 s LEU 100 Cb -0.12 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2qa4 s LEU 100 CO 0.15 0.30 0.00 -1.81 0.23 0.00 0.00 176.35 175.23 2qa4 s ASP 101 N -1.09 5.06 -0.12 2.29 1.11 -1.26 -4.92 116.67 117.73 2qa4 s ASP 101 Ca 0.13 -0.17 -0.06 0.00 0.18 0.00 0.00 52.55 52.64 2qa4 s ASP 101 Cb -0.11 -1.21 0.05 0.00 1.07 0.00 0.00 42.92 42.72 2qa4 s ASP 101 CO 0.03 0.17 0.27 -0.22 1.18 0.00 0.00 175.17 176.61 2qa4 s LEU 102 N -2.32 0.10 0.22 1.23 2.96 -1.26 -5.06 118.68 114.55 2qa4 s LEU 102 Ca 0.26 0.60 -0.32 0.00 -0.22 0.00 0.00 54.13 54.45 2qa4 s LEU 102 Cb -0.12 0.80 -0.12 0.00 0.50 0.00 0.00 46.19 47.25 2qa4 s LEU 102 CO 0.19 -0.19 1.64 0.59 -1.32 0.00 0.00 176.35 177.26 2qa4 n ASN 103 N 4.63 3.70 -0.21 3.68 4.13 -1.26 -4.79 115.26 125.13 2qa4 n ASN 103 Ca -0.18 1.09 -0.04 0.00 1.68 0.00 0.00 54.58 57.12 2qa4 n ASN 103 Cb 0.52 -1.54 0.02 0.00 -1.54 0.00 0.00 39.78 37.24 2qa4 n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2qa4 h ASP 104 N 5.98 -1.11 -0.89 6.41 3.32 -2.00 0.16 116.42 128.28 2qa4 h ASP 104 Ca -0.44 0.23 0.19 0.00 0.02 0.00 0.00 57.03 57.03 2qa4 h ASP 104 Cb 1.22 0.56 -0.11 0.00 0.22 0.00 0.00 39.33 41.22 2qa4 h ASP 104 CO 0.89 -0.30 0.43 0.11 -1.72 0.00 0.00 179.24 178.66 2qa4 h LYS 105 N -0.14 0.49 -0.30 3.56 1.57 -1.99 0.29 116.57 120.04 2qa4 h LYS 105 Ca 0.25 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2qa4 h LYS 105 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2qa4 h LYS 105 CO -0.69 0.33 -0.27 1.49 -0.57 0.00 0.00 179.45 179.74 2qa4 h GLU 106 N 0.51 0.61 -0.10 3.15 4.81 -1.14 -1.14 114.58 121.28 2qa4 h GLU 106 Ca 0.53 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 2qa4 h GLU 106 Cb 0.92 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2qa4 h GLU 106 CO -0.46 0.82 -0.39 -0.09 -0.73 0.00 0.00 179.01 178.16 2qa4 h ARG 107 N 0.53 0.44 -0.80 1.92 2.43 0.12 -3.18 114.38 115.84 2qa4 h ARG 107 Ca 0.07 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 2qa4 h ARG 107 Cb 0.73 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 2qa4 h ARG 107 CO 0.06 0.97 0.35 1.96 -1.51 0.00 0.00 179.97 181.80 2qa4 h GLN 108 N 0.01 1.17 -0.88 0.20 4.20 -0.75 -1.96 115.11 117.10 2qa4 h GLN 108 Ca -0.02 -0.19 0.15 0.00 0.06 0.00 0.00 58.65 58.65 2qa4 h GLN 108 Cb 1.03 -0.20 -0.10 0.00 0.30 0.00 0.00 27.48 28.51 2qa4 h GLN 108 CO 0.08 0.92 0.47 1.25 -0.67 0.00 0.00 178.83 180.88 2qa4 h LEU 109 N 1.15 0.57 -0.27 1.46 7.12 -1.22 -1.18 115.31 122.93 2qa4 h LEU 109 Ca 0.27 0.09 -0.20 0.00 0.13 0.00 0.00 57.88 58.17 2qa4 h LEU 109 Cb 0.16 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 2qa4 h LEU 109 CO -0.03 0.23 -0.67 0.00 -0.13 0.00 0.00 178.44 177.84 2qa4 h ALA 110 N 1.57 0.44 -0.38 1.25 0.00 -1.35 -2.42 119.26 118.37 2qa4 h ALA 110 Ca 0.48 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2qa4 h ALA 110 Cb 0.69 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2qa4 h ALA 110 CO -0.37 0.69 0.10 0.28 0.00 0.00 0.00 179.25 179.95 2qa4 h VAL 111 N 0.54 0.84 0.33 0.00 2.07 -0.86 0.55 116.25 119.73 2qa4 h VAL 111 Ca -0.02 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2qa4 h VAL 111 Cb 1.28 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2qa4 h VAL 111 CO 0.14 0.04 -0.16 0.03 0.02 0.00 0.00 177.57 177.64 2qa4 h ARG 112 N 0.23 -0.43 -0.65 1.57 3.08 -1.40 0.77 114.38 117.54 2qa4 h ARG 112 Ca 0.18 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.32 2qa4 h ARG 112 Cb 0.19 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 2qa4 h ARG 112 CO -0.22 -0.29 0.43 1.03 -1.07 0.00 0.00 179.97 179.85 2qa4 h SER 113 N -0.45 0.58 0.15 7.04 0.87 -0.90 0.17 113.55 121.02 2qa4 h SER 113 Ca -0.05 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.38 2qa4 h SER 113 Cb 0.34 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2qa4 h SER 113 CO 0.08 0.38 -0.47 0.00 -0.53 0.00 0.00 176.83 176.28 2qa4 h ALA 114 N 1.65 0.91 0.73 6.23 0.00 0.60 -1.05 119.26 128.32 2qa4 h ALA 114 Ca 0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2qa4 h ALA 114 Cb 0.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qa4 h ALA 114 CO -0.08 0.65 -0.35 -0.07 0.00 0.00 0.00 179.25 179.40 2qa4 h LEU 115 N 0.31 -0.83 -1.87 0.00 -0.00 0.99 -2.75 115.31 111.16 2qa4 h LEU 115 Ca 0.02 0.03 0.17 0.00 -0.00 0.00 0.00 57.88 58.10 2qa4 h LEU 115 Cb 0.95 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 2qa4 h LEU 115 CO 0.08 -0.55 0.59 0.00 -0.00 0.00 0.00 178.44 178.56 2qa4 h ALA 116 N -1.47 2.39 -0.12 1.53 0.00 -0.98 0.64 119.26 121.25 2qa4 h ALA 116 Ca -0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2qa4 h ALA 116 Cb 0.75 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2qa4 h ALA 116 CO 0.16 -0.90 -0.19 0.00 0.00 0.00 0.00 179.25 178.32 2qa4 h ALA 117 N 1.38 1.47 -0.46 0.00 0.00 -0.88 -2.50 119.26 118.28 2qa4 h ALA 117 Ca 0.29 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qa4 h ALA 117 Cb 1.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2qa4 h ALA 117 CO -0.00 0.38 0.04 1.15 0.00 0.00 0.00 179.25 180.82 2qa4 h THR 118 N 0.18 1.22 -0.88 0.00 2.02 0.32 -3.13 112.91 112.64 2qa4 h THR 118 Ca 0.03 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.35 2qa4 h THR 118 Cb 0.45 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2qa4 h THR 118 CO 0.03 0.31 0.58 0.00 0.37 0.00 0.00 175.52 176.82 2qa4 h ALA 119 N 1.36 1.38 -2.28 6.16 0.00 -1.52 -3.33 119.26 121.04 2qa4 h ALA 119 Ca 0.14 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.44 2qa4 h ALA 119 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qa4 h ALA 119 CO 0.01 0.57 0.87 0.34 0.00 0.00 0.00 179.25 181.04 2qa4 s ASP 120 N -6.22 6.89 0.44 0.00 -1.08 -1.18 -4.52 116.67 110.99 2qa4 s ASP 120 Ca -0.12 1.95 0.22 0.00 -0.52 0.00 0.00 52.55 54.08 2qa4 s ASP 120 Cb 0.18 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 40.10 2qa4 s ASP 120 CO 0.80 -0.74 1.88 0.00 0.52 0.00 0.00 175.17 177.64 2qa4 h ALA 121 N 8.14 1.16 0.16 3.66 0.00 -1.88 -3.14 119.26 127.36 2qa4 h ALA 121 Ca -0.34 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.00 2qa4 h ALA 121 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qa4 h ALA 121 CO 0.93 0.31 -1.72 -0.44 0.00 0.00 0.00 179.25 178.33 2qa4 h ASP 122 N 0.00 0.53 -0.69 0.00 3.32 -1.95 -3.03 116.42 114.60 2qa4 h ASP 122 Ca -0.00 -0.82 0.03 0.00 0.02 0.00 0.00 57.03 56.26 2qa4 h ASP 122 Cb 0.63 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2qa4 h ASP 122 CO 0.03 1.69 0.43 -0.07 -1.72 0.00 0.00 179.24 179.61 2qa4 h LEU 123 N 0.09 0.70 -0.33 1.55 3.38 -1.87 0.19 115.31 119.02 2qa4 h LEU 123 Ca -0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2qa4 h LEU 123 Cb 2.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 2qa4 h LEU 123 CO 0.16 0.48 0.12 0.58 0.09 0.00 0.00 178.44 179.87 2qa4 h VAL 124 N 0.83 1.20 -0.08 1.22 2.07 -1.65 0.24 116.25 120.07 2qa4 h VAL 124 Ca 0.28 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 2qa4 h VAL 124 Cb 0.04 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2qa4 h VAL 124 CO -0.12 0.21 -0.40 0.00 0.02 0.00 0.00 177.57 177.28 2qa4 h ALA 125 N 0.96 1.18 0.03 1.67 0.00 -1.34 -2.85 119.26 118.91 2qa4 h ALA 125 Ca 0.11 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 2qa4 h ALA 125 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qa4 h ALA 125 CO -0.01 0.56 -1.02 -0.44 0.00 0.00 0.00 179.25 178.34 2qa4 h ASP 126 N 0.14 0.16 0.09 0.00 3.32 -0.39 -3.03 116.42 116.71 2qa4 h ASP 126 Ca 0.01 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2qa4 h ASP 126 Cb 0.78 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2qa4 h ASP 126 CO 0.06 1.08 0.00 -1.14 -1.72 0.00 0.00 179.24 177.52 2qa4 n ARG 127 N -3.48 0.24 0.00 3.56 0.63 0.81 -4.86 116.66 113.57 2qa4 n ARG 127 Ca -0.03 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2qa4 n ARG 127 Cb 0.92 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.33 2qa4 n ARG 127 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qa4 n GLY 128 N -0.38 3.10 3.46 5.14 0.00 -1.14 -5.06 105.19 110.31 2qa4 n GLY 128 Ca 0.06 -1.02 -0.53 0.00 0.00 0.00 0.00 46.02 44.53 2qa4 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qa4 n HIS 129 N 0.00 0.21 -3.60 1.61 8.25 -1.22 -4.94 115.22 115.53 2qa4 n HIS 129 Ca 0.00 0.99 -0.39 0.00 -0.26 0.00 0.00 57.72 58.06 2qa4 n HIS 129 Cb 0.00 -2.05 -0.11 0.00 1.12 0.00 0.00 29.99 28.95 2qa4 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qa4 s GLU 130 N -0.47 3.57 0.25 -0.41 0.41 -1.26 -4.62 118.70 116.17 2qa4 s GLU 130 Ca 0.78 -0.58 -0.18 0.00 -0.41 0.00 0.00 54.97 54.58 2qa4 s GLU 130 Cb -1.08 -3.66 0.01 0.00 -1.78 0.00 0.00 34.13 27.62 2qa4 s GLU 130 CO 0.56 -0.35 0.60 -0.59 -0.49 0.00 0.00 175.26 174.99 2qa4 s PHE 131 N 1.69 0.01 -0.37 1.61 -0.12 -1.26 -0.08 117.98 119.45 2qa4 s PHE 131 Ca 0.06 -0.41 0.13 0.00 -0.05 0.00 0.00 56.93 56.66 2qa4 s PHE 131 Cb -0.17 0.47 0.38 0.00 -0.63 0.00 0.00 43.02 43.08 2qa4 s PHE 131 CO 0.09 -1.09 0.81 -0.25 -0.05 0.00 0.00 175.22 174.73 2qa4 n ASP 132 N -0.41 1.33 -3.24 1.98 8.00 -1.07 -5.08 116.55 118.06 2qa4 n ASP 132 Ca -0.04 -3.00 -0.16 0.00 0.71 0.00 0.00 54.79 52.29 2qa4 n ASP 132 Cb 0.61 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 2qa4 n ASP 132 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2qa4 n ARG 133 N 0.14 1.17 0.00 -1.24 0.63 -1.26 -4.89 116.66 111.21 2qa4 n ARG 133 Ca 0.22 -1.95 0.00 0.00 -0.92 0.00 0.00 57.85 55.20 2qa4 n ARG 133 Cb 0.68 0.67 0.00 0.00 0.45 0.00 0.00 32.46 34.26 2qa4 n ARG 133 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qa4 n ASP 134 N -1.34 1.58 -4.88 6.15 8.00 -1.26 -5.07 116.55 119.74 2qa4 n ASP 134 Ca -0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.10 2qa4 n ASP 134 Cb 0.34 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 2qa4 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qa4 s GLU 135 N -1.37 3.79 -0.24 -1.24 2.02 -1.26 -4.83 118.70 115.57 2qa4 s GLU 135 Ca 0.00 0.29 -0.26 0.00 0.02 0.00 0.00 54.97 55.02 2qa4 s GLU 135 Cb 0.00 -2.60 0.09 0.00 0.10 0.00 0.00 34.13 31.72 2qa4 s GLU 135 CO 0.00 0.26 0.83 0.54 0.02 0.00 0.00 175.26 176.91 2qa4 s VAL 136 N -1.92 0.00 1.34 2.63 0.11 -1.26 -4.69 120.40 116.61 2qa4 s VAL 136 Ca 0.48 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.31 2qa4 s VAL 136 Cb -0.11 -1.00 0.34 0.00 -1.53 0.00 0.00 36.38 34.08 2qa4 s VAL 136 CO 0.23 0.00 1.01 -2.16 -3.33 0.00 0.00 175.10 170.85 2qa4 s PRO 137 N 0.07 -2.31 -0.25 1.54 0.04 -1.25 -4.34 135.00 128.51 2qa4 s PRO 137 Ca -0.00 -0.01 -0.13 0.00 0.04 0.00 0.00 61.00 60.91 2qa4 s PRO 137 Cb -0.04 -1.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.99 2qa4 s PRO 137 CO -0.00 -4.44 0.26 0.08 0.04 0.00 0.00 177.00 172.93 2qa4 s VAL 138 N -2.61 5.28 -0.12 -0.36 1.01 -1.21 -4.94 120.40 117.45 2qa4 s VAL 138 Ca 0.70 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 2qa4 s VAL 138 Cb -0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2qa4 s VAL 138 CO 0.57 0.27 0.07 -0.69 0.00 0.00 0.00 175.10 175.32 2qa4 s VAL 139 N 1.44 4.91 0.05 2.92 1.01 -1.26 -0.83 120.40 128.65 2qa4 s VAL 139 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2qa4 s VAL 139 Cb -0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2qa4 s VAL 139 CO 0.08 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 2qa4 s VAL 140 N -0.66 0.95 0.56 2.92 1.01 -0.30 -1.57 120.40 123.31 2qa4 s VAL 140 Ca 0.12 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 2qa4 s VAL 140 Cb -0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2qa4 s VAL 140 CO 0.02 -0.17 1.12 -0.94 0.00 0.00 0.00 175.10 175.13 2qa4 s SER 141 N -1.43 5.69 0.09 3.32 1.04 -1.14 0.22 113.70 121.48 2qa4 s SER 141 Ca -0.02 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.55 2qa4 s SER 141 Cb -0.09 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.61 2qa4 s SER 141 CO 0.01 -1.24 0.86 0.47 0.98 0.00 0.00 173.24 174.32 2qa4 n ASP 142 N -1.45 0.07 0.00 7.02 8.00 -1.26 -0.91 116.55 128.02 2qa4 n ASP 142 Ca 0.11 0.31 0.11 0.00 0.71 0.00 0.00 54.79 56.03 2qa4 n ASP 142 Cb 0.51 -0.28 0.61 0.00 -0.02 0.00 0.00 41.12 41.94 2qa4 n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qa4 n ASP 143 N -1.44 0.00 -0.04 -2.24 8.00 -1.26 -2.50 116.55 117.07 2qa4 n ASP 143 Ca -0.00 -0.41 -0.12 0.00 0.71 0.00 0.00 54.79 54.97 2qa4 n ASP 143 Cb 0.30 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2qa4 n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2qa4 h PHE 144 N 0.00 0.25 0.00 1.24 3.57 -1.38 -2.64 116.94 117.99 2qa4 h PHE 144 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2qa4 h PHE 144 Cb 0.08 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2qa4 h PHE 144 CO 0.00 0.42 0.00 0.39 -2.23 0.00 0.00 178.31 176.89 2qa4 n GLU 145 N -4.81 0.00 0.03 1.11 1.02 -1.04 -1.45 120.64 115.51 2qa4 n GLU 145 Ca -0.05 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 2qa4 n GLU 145 Cb 0.18 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 2qa4 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qa4 n ASP 146 N -1.05 0.33 -4.72 1.62 8.00 -0.99 -4.98 116.55 114.75 2qa4 n ASP 146 Ca 0.00 0.13 -0.39 0.00 0.71 0.00 0.00 54.79 55.23 2qa4 n ASP 146 Cb 0.00 1.37 0.03 0.00 -0.02 0.00 0.00 41.12 42.50 2qa4 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qa4 n LEU 147 N -2.44 4.91 0.00 0.64 4.77 -0.53 -4.95 117.00 119.40 2qa4 n LEU 147 Ca -0.04 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 2qa4 n LEU 147 Cb 0.59 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2qa4 n LEU 147 CO 0.44 -0.67 -0.42 0.52 -1.33 0.00 0.00 177.39 175.93 2qa4 n VAL 148 N -0.78 0.00 -2.92 4.08 0.31 -1.26 -4.45 118.33 113.32 2qa4 n VAL 148 Ca 0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.02 2qa4 n VAL 148 Cb 0.43 -0.44 -0.05 0.00 -0.91 0.00 0.00 33.84 32.87 2qa4 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qa4 s LYS 149 N -1.84 4.55 0.24 5.55 -0.14 -1.26 -4.44 119.74 122.40 2qa4 s LYS 149 Ca 0.00 1.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.77 2qa4 s LYS 149 Cb 0.00 -3.36 0.27 0.00 -1.68 0.00 0.00 37.83 33.06 2qa4 s LYS 149 CO 0.00 0.28 1.65 1.15 -0.76 0.00 0.00 175.35 177.66 2qa4 h THR 150 N 4.06 1.28 -0.84 2.17 2.02 -1.93 -3.14 112.91 116.53 2qa4 h THR 150 Ca -0.44 -1.39 0.18 0.00 0.77 0.00 0.00 66.41 65.53 2qa4 h THR 150 Cb 1.21 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 2qa4 h THR 150 CO 0.71 0.45 0.56 1.56 0.37 0.00 0.00 175.52 179.16 2qa4 h GLN 151 N 0.52 0.42 -0.35 6.66 1.08 -1.92 -1.15 115.11 120.36 2qa4 h GLN 151 Ca 0.07 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2qa4 h GLN 151 Cb 0.77 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2qa4 h GLN 151 CO 0.06 0.28 -0.03 0.93 -0.95 0.00 0.00 178.83 179.12 2qa4 h GLU 152 N 0.43 0.65 -0.53 1.46 5.08 -1.96 -2.68 114.58 117.02 2qa4 h GLU 152 Ca 0.43 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2qa4 h GLU 152 Cb 1.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2qa4 h GLU 152 CO -0.15 0.78 0.29 0.28 -1.00 0.00 0.00 179.01 179.21 2qa4 h VAL 153 N 0.45 1.16 0.32 3.13 2.07 -1.34 -0.93 116.25 121.12 2qa4 h VAL 153 Ca 0.10 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2qa4 h VAL 153 Cb 0.51 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2qa4 h VAL 153 CO 0.02 0.18 -0.17 0.58 0.02 0.00 0.00 177.57 178.20 2qa4 h VAL 154 N 0.74 0.64 -0.31 2.57 2.07 -1.29 -0.88 116.25 119.79 2qa4 h VAL 154 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2qa4 h VAL 154 Cb 0.02 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2qa4 h VAL 154 CO -0.03 0.00 -0.18 0.28 0.02 0.00 0.00 177.57 177.66 2qa4 h SER 155 N -0.46 -0.59 -0.75 0.57 0.02 -1.04 0.65 113.55 111.95 2qa4 h SER 155 Ca -0.04 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 2qa4 h SER 155 Cb 0.37 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 2qa4 h SER 155 CO 0.06 -0.21 0.50 0.25 -1.14 0.00 0.00 176.83 176.28 2qa4 h LEU 156 N -0.14 0.51 -0.18 5.07 5.85 -0.92 -0.58 115.31 124.91 2qa4 h LEU 156 Ca 0.16 0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.68 2qa4 h LEU 156 Cb 0.38 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.34 2qa4 h LEU 156 CO -0.40 0.29 -0.90 -0.07 -0.34 0.00 0.00 178.44 177.01 2qa4 h LEU 157 N 0.55 0.64 -0.76 2.25 3.38 0.32 -2.72 115.31 118.98 2qa4 h LEU 157 Ca 0.36 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qa4 h LEU 157 Cb 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qa4 h LEU 157 CO -0.13 1.27 0.00 -0.62 0.09 0.00 0.00 178.44 179.06 2qa4 n GLU 158 N -3.80 0.15 -0.00 1.13 1.02 0.07 -1.55 120.64 117.65 2qa4 n GLU 158 Ca -0.07 0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 57.31 2qa4 n GLU 158 Cb 0.81 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 2qa4 n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qa4 h ALA 159 N 2.21 0.23 0.00 0.62 0.00 -1.22 -3.32 119.26 117.78 2qa4 h ALA 159 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2qa4 h ALA 159 Cb 0.25 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qa4 h ALA 159 CO 0.00 0.90 0.00 1.28 0.00 0.00 0.00 179.25 181.43 2qa4 n LEU 160 N -3.90 0.00 -2.75 0.00 4.77 -0.87 -4.88 117.00 109.37 2qa4 n LEU 160 Ca -0.27 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.51 2qa4 n LEU 160 Cb 0.91 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.03 2qa4 n LEU 160 CO 0.39 0.00 -0.01 0.47 -1.33 0.00 0.00 177.39 176.91 2qa4 n ASP 161 N -1.00 -5.78 -0.46 -1.43 8.00 -0.60 -4.73 116.55 110.55 2qa4 n ASP 161 Ca 0.22 -0.25 0.07 0.00 0.71 0.00 0.00 54.79 55.54 2qa4 n ASP 161 Cb 0.10 -4.61 0.16 0.00 -0.02 0.00 0.00 41.12 36.74 2qa4 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2qa4 n VAL 162 N -4.40 1.68 0.11 2.53 0.31 -0.59 -2.61 118.33 115.35 2qa4 n VAL 162 Ca -0.11 -1.64 0.07 0.00 -0.01 0.00 0.00 64.34 62.65 2qa4 n VAL 162 Cb 0.62 0.04 0.01 0.00 -0.91 0.00 0.00 33.84 33.59 2qa4 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2qa4 h HIS 163 N 1.05 0.00 -0.86 3.52 6.17 -1.86 -3.34 115.15 119.83 2qa4 h HIS 163 Ca 0.00 0.00 0.17 0.00 0.71 0.00 0.00 60.37 61.25 2qa4 h HIS 163 Cb 1.01 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.87 2qa4 h HIS 163 CO 0.22 0.23 0.56 0.00 0.71 0.00 0.00 177.93 179.65 2qa4 h ALA 164 N 1.77 2.08 -0.49 5.26 0.00 -1.80 -0.57 119.26 125.51 2qa4 h ALA 164 Ca -0.05 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2qa4 h ALA 164 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2qa4 h ALA 164 CO 0.02 -0.33 -0.20 0.22 0.00 0.00 0.00 179.25 178.96 2qa4 h ASP 165 N 0.48 1.01 1.41 0.00 3.58 -0.62 -2.15 116.42 120.13 2qa4 h ASP 165 Ca 0.44 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2qa4 h ASP 165 Cb 0.96 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 2qa4 h ASP 165 CO -0.17 1.17 -0.05 0.40 -2.88 0.00 0.00 179.24 177.71 2qa4 h ILE 166 N 0.85 0.09 -0.04 2.25 2.04 -1.35 -1.76 117.51 119.59 2qa4 h ILE 166 Ca 0.11 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 2qa4 h ILE 166 Cb 0.77 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2qa4 h ILE 166 CO 0.06 0.04 -0.54 0.44 0.00 0.00 0.00 178.15 178.16 2qa4 h ASP 167 N 0.00 0.12 -0.08 1.72 3.45 -0.61 -2.29 116.42 118.73 2qa4 h ASP 167 Ca -0.00 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 2qa4 h ASP 167 Cb 0.76 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2qa4 h ASP 167 CO 0.01 0.63 -0.03 -0.09 -1.57 0.00 0.00 179.24 178.19 2qa4 h ARG 168 N 0.09 0.16 0.00 3.56 2.43 -0.74 -3.04 114.38 116.83 2qa4 h ARG 168 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qa4 h ARG 168 Cb 0.97 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2qa4 h ARG 168 CO 0.08 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 2qa4 n ALA 169 N -2.32 1.93 -0.75 2.80 0.00 -0.91 -4.00 120.51 117.25 2qa4 n ALA 169 Ca -0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2qa4 n ALA 169 Cb 0.24 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 2qa4 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qa4 n ASP 170 N -1.70 4.00 -3.67 0.00 4.64 -0.87 -4.52 116.55 114.43 2qa4 n ASP 170 Ca 0.05 -2.24 -0.10 0.00 -1.38 0.00 0.00 54.79 51.11 2qa4 n ASP 170 Cb 0.26 -1.07 -0.09 0.00 -1.04 0.00 0.00 41.12 39.18 2qa4 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 2qa4 s GLU 171 N 1.44 0.59 -0.04 -0.67 2.02 -1.26 -5.04 118.70 115.74 2qa4 s GLU 171 Ca 0.49 0.93 -0.03 0.00 0.02 0.00 0.00 54.97 56.39 2qa4 s GLU 171 Cb 0.24 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 2qa4 s GLU 171 CO 0.00 -0.13 0.11 0.95 0.02 0.00 0.00 175.26 176.21 2qa4 s THR 172 N 1.09 5.02 -0.19 3.63 -4.23 -1.26 -4.45 115.64 115.24 2qa4 s THR 172 Ca -0.06 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2qa4 s THR 172 Cb -0.06 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2qa4 s THR 172 CO -0.10 0.44 0.03 -0.75 -0.54 0.00 0.00 174.62 173.70 2qa4 s LYS 173 N -1.51 3.79 -0.57 3.99 2.20 0.66 -4.96 119.74 123.34 2qa4 s LYS 173 Ca 0.21 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 55.16 2qa4 s LYS 173 Cb -0.12 -3.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2qa4 s LYS 173 CO 0.11 0.14 0.88 0.42 -0.36 0.00 0.00 175.35 176.53 2qa4 s ILE 174 N 0.71 4.48 0.13 5.43 1.01 -1.26 -1.83 121.20 129.87 2qa4 s ILE 174 Ca 0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 60.65 60.25 2qa4 s ILE 174 Cb -0.14 -4.52 -0.15 0.00 0.01 0.00 0.00 42.46 37.66 2qa4 s ILE 174 CO 0.02 -1.13 1.44 1.17 0.00 0.00 0.00 174.94 176.44 2qa4 n LYS 175 N 7.22 1.65 -2.59 2.79 4.81 0.71 -4.97 118.16 127.79 2qa4 n LYS 175 Ca -0.02 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.60 2qa4 n LYS 175 Cb 0.46 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 33.20 2qa4 n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qa4 s ALA 176 N 0.62 3.33 0.00 3.14 0.00 -1.26 -4.74 121.76 122.85 2qa4 s ALA 176 Ca 0.80 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2qa4 s ALA 176 Cb -0.81 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2qa4 s ALA 176 CO 0.43 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2qa4 n GLY 177 N 3.11 1.69 0.00 0.00 0.00 -1.26 -4.74 105.19 103.99 2qa4 n GLY 177 Ca 0.08 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.98 2qa4 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qa4 n GLN 178 N -0.36 0.26 -0.28 1.61 6.02 -1.26 -3.24 117.38 120.13 2qa4 n GLN 178 Ca 0.00 0.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 2qa4 n GLN 178 Cb 0.00 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 29.97 2qa4 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2qa4 h GLY 179 N 1.39 1.28 -0.42 1.08 0.00 -1.90 -0.08 103.07 104.42 2qa4 h GLY 179 Ca 0.00 -0.20 0.30 0.00 0.00 0.00 0.00 47.33 47.43 2qa4 h GLY 179 CO 0.00 -0.07 0.61 1.48 0.00 0.00 0.00 176.54 178.56 2qa4 h SER 180 N 0.54 0.53 0.90 0.19 4.64 -1.78 0.57 113.55 119.13 2qa4 h SER 180 Ca 0.44 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2qa4 h SER 180 Cb 0.65 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2qa4 h SER 180 CO -0.38 -0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.53 2qa4 n ALA 181 N -2.34 1.89 -0.54 5.18 0.00 -0.04 -2.78 120.51 121.87 2qa4 n ALA 181 Ca 0.30 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.82 2qa4 n ALA 181 Cb 0.95 -1.39 0.18 0.00 0.00 0.00 0.00 19.45 19.19 2qa4 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qa4 n ARG 182 N -2.02 2.82 -1.81 0.00 1.74 0.20 -4.99 116.66 112.59 2qa4 n ARG 182 Ca 0.04 -2.36 -0.01 0.00 -0.77 0.00 0.00 57.85 54.75 2qa4 n ARG 182 Cb 0.28 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2qa4 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 183 N -0.09 0.00 0.40 -0.13 0.00 -1.10 -4.99 105.19 99.28 2qa4 n GLY 183 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qa4 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa4 n ARG 184 N -1.47 0.00 -0.33 1.61 1.74 -1.17 -4.99 116.66 112.05 2qa4 n ARG 184 Ca -0.01 -0.16 0.27 0.00 -0.77 0.00 0.00 57.85 57.19 2qa4 n ARG 184 Cb 0.51 -0.09 0.52 0.00 -1.02 0.00 0.00 32.46 32.38 2qa4 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2qa4 h LYS 185 N 0.00 0.14 -5.93 5.56 3.64 -1.76 -3.41 116.57 114.81 2qa4 h LYS 185 Ca 0.00 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 2qa4 h LYS 185 Cb 1.06 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 2qa4 h LYS 185 CO 0.00 0.10 -0.38 0.71 -2.27 0.00 0.00 179.45 177.60 2qa4 s TYR 186 N -5.61 2.14 -0.21 1.91 1.51 -1.26 -0.21 117.35 115.62 2qa4 s TYR 186 Ca -0.10 -0.71 -0.28 0.00 -1.01 0.00 0.00 57.07 54.98 2qa4 s TYR 186 Cb 0.32 -1.96 0.12 0.00 -0.11 0.00 0.00 41.96 40.33 2qa4 s TYR 186 CO 0.78 -0.18 1.00 -0.98 -1.11 0.00 0.00 175.55 175.07 2qa4 s ARG 187 N -4.12 0.57 -0.00 -0.62 1.04 -0.76 -4.79 118.95 110.26 2qa4 s ARG 187 Ca 0.37 0.34 0.01 0.00 -1.04 0.00 0.00 55.73 55.41 2qa4 s ARG 187 Cb -0.00 0.27 -0.00 0.00 -2.04 0.00 0.00 34.95 33.18 2qa4 s ARG 187 CO 0.22 -0.14 -0.03 -0.98 -0.04 0.00 0.00 175.30 174.34 2qa4 s ARG 188 N -0.54 0.22 0.32 3.89 1.70 -1.26 -0.24 118.95 123.03 2qa4 s ARG 188 Ca 0.00 -0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 54.88 2qa4 s ARG 188 Cb -0.02 -0.22 -0.12 0.00 -0.57 0.00 0.00 34.95 34.02 2qa4 s ARG 188 CO -0.01 0.05 1.51 -2.30 -1.08 0.00 0.00 175.30 173.47 2qa4 n PRO 189 N 3.05 2.57 -2.62 3.89 -0.02 -1.26 -4.93 135.00 135.68 2qa4 n PRO 189 Ca -0.13 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 2qa4 n PRO 189 Cb 0.59 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 2qa4 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa4 s ALA 190 N -0.46 3.36 0.00 3.55 0.00 -1.26 -4.32 121.76 122.62 2qa4 s ALA 190 Ca 0.60 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2qa4 s ALA 190 Cb -0.51 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2qa4 s ALA 190 CO 0.55 0.02 0.00 -1.13 0.00 0.00 0.00 175.76 175.20 2qa4 n SER 191 N 1.25 0.00 -4.86 0.00 3.41 0.14 -4.93 113.62 108.63 2qa4 n SER 191 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 2qa4 n SER 191 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2qa4 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qa4 s ILE 192 N 2.53 5.08 -0.25 -1.33 1.01 -1.26 -4.59 121.20 122.39 2qa4 s ILE 192 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 2qa4 s ILE 192 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2qa4 s ILE 192 CO 0.00 0.33 -0.02 -0.22 0.00 0.00 0.00 174.94 175.03 2qa4 s LEU 193 N -1.79 3.23 -0.50 2.97 2.96 -1.23 -2.03 118.68 122.30 2qa4 s LEU 193 Ca 0.32 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 2qa4 s LEU 193 Cb -0.14 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 44.86 2qa4 s LEU 193 CO 0.17 -0.10 0.52 -0.36 -1.32 0.00 0.00 176.35 175.26 2qa4 s PHE 194 N 1.44 3.15 -0.34 5.38 0.40 -0.68 -2.22 117.98 125.10 2qa4 s PHE 194 Ca 0.03 -0.77 -0.20 0.00 -0.60 0.00 0.00 56.93 55.39 2qa4 s PHE 194 Cb -0.16 -3.40 -0.00 0.00 0.51 0.00 0.00 43.02 39.97 2qa4 s PHE 194 CO -0.02 -0.94 0.61 0.08 0.70 0.00 0.00 175.22 175.65 2qa4 s VAL 195 N 2.13 4.93 0.00 -0.44 1.01 -1.01 -0.92 120.40 126.10 2qa4 s VAL 195 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2qa4 s VAL 195 Cb -0.22 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2qa4 s VAL 195 CO 0.09 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.30 2qa4 n THR 196 N 5.50 0.00 0.00 3.92 -2.24 0.23 -2.36 114.28 119.32 2qa4 n THR 196 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2qa4 n THR 196 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2qa4 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2qa4 n SER 197 N 0.00 0.56 -0.12 3.42 2.88 -1.26 -2.83 113.62 116.26 2qa4 n SER 197 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2qa4 n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2qa4 n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qa4 n ASP 198 N -1.72 1.58 -3.65 -3.46 8.00 -1.26 -4.70 116.55 111.34 2qa4 n ASP 198 Ca 0.00 -0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.25 2qa4 n ASP 198 Cb 0.08 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 2qa4 n ASP 198 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qa4 s GLU 199 N -2.51 0.77 0.37 -1.24 2.02 -1.26 -5.12 118.70 111.74 2qa4 s GLU 199 Ca -0.29 0.51 -0.27 0.00 0.02 0.00 0.00 54.97 54.93 2qa4 s GLU 199 Cb 0.08 0.37 -0.10 0.00 0.10 0.00 0.00 34.13 34.58 2qa4 s GLU 199 CO 0.64 -0.16 1.35 -2.14 0.02 0.00 0.00 175.26 174.98 2qa4 s PRO 200 N -0.33 4.12 -0.69 0.39 0.02 -1.26 -4.79 135.00 132.45 2qa4 s PRO 200 Ca -0.05 2.29 -0.26 0.00 0.02 0.00 0.00 61.00 63.00 2qa4 s PRO 200 Cb -0.03 -2.91 -0.12 0.00 0.02 0.00 0.00 34.50 31.46 2qa4 s PRO 200 CO 0.04 -0.41 2.42 0.45 -0.33 0.00 0.00 177.00 179.16 2qa4 s SER 201 N -0.50 4.03 0.36 2.53 0.15 -1.26 -4.79 113.70 114.23 2qa4 s SER 201 Ca 0.53 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.69 2qa4 s SER 201 Cb -0.41 -2.53 0.93 0.00 -1.71 0.00 0.00 66.02 62.30 2qa4 s SER 201 CO 0.54 -3.59 1.80 0.74 1.20 0.00 0.00 173.24 173.93 2qa4 h THR 202 N 7.70 0.66 0.51 6.45 2.02 -1.88 -0.45 112.91 127.92 2qa4 h THR 202 Ca -0.08 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2qa4 h THR 202 Cb 1.09 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2qa4 h THR 202 CO 1.05 0.10 -0.24 0.00 0.37 0.00 0.00 175.52 176.80 2qa4 h ALA 203 N 1.63 -0.68 0.00 6.16 0.00 -1.78 -3.17 119.26 121.41 2qa4 h ALA 203 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qa4 h ALA 203 Cb 1.11 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2qa4 h ALA 203 CO -0.29 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.10 2qa4 h ALA 204 N -0.27 1.00 0.46 0.00 0.00 -1.60 -3.37 119.26 115.47 2qa4 h ALA 204 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qa4 h ALA 204 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2qa4 h ALA 204 CO 0.11 0.00 -0.40 0.07 0.00 0.00 0.00 179.25 179.04 2qa4 h ARG 205 N 0.00 -0.82 0.00 0.00 0.11 -1.10 -2.46 114.38 110.11 2qa4 h ARG 205 Ca 0.00 0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2qa4 h ARG 205 Cb 0.58 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2qa4 h ARG 205 CO 0.00 -0.55 0.00 -1.71 0.10 0.00 0.00 179.97 177.81 2qa4 n ASN 206 N -5.50 0.00 -4.78 0.08 5.15 -1.26 -4.72 115.26 104.23 2qa4 n ASN 206 Ca -0.11 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.50 2qa4 n ASN 206 Cb 0.40 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 2qa4 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qa4 s LEU 207 N -1.45 4.06 0.11 1.20 1.43 -0.93 -4.96 118.68 118.14 2qa4 s LEU 207 Ca 0.00 2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 2qa4 s LEU 207 Cb 0.00 -4.21 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 2qa4 s LEU 207 CO 0.00 -0.75 1.70 0.00 0.23 0.00 0.00 176.35 177.53 2qa4 s ALA 208 N -1.58 3.73 0.00 4.21 0.00 -1.26 -2.39 121.76 124.47 2qa4 s ALA 208 Ca 0.61 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2qa4 s ALA 208 Cb -0.26 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2qa4 s ALA 208 CO 0.32 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2qa4 n GLY 209 N 4.04 2.16 3.77 0.00 0.00 -1.26 -4.58 105.19 109.32 2qa4 n GLY 209 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2qa4 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 210 N -1.33 3.23 0.13 4.61 0.00 -1.01 -0.68 121.76 126.71 2qa4 s ALA 210 Ca 0.00 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.78 2qa4 s ALA 210 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2qa4 s ALA 210 CO 0.00 -0.14 -0.14 -0.51 0.00 0.00 0.00 175.76 174.97 2qa4 s ASP 211 N -1.30 2.07 0.06 0.00 1.01 -0.86 -4.78 116.67 112.87 2qa4 s ASP 211 Ca 0.51 -0.84 0.05 0.00 0.71 0.00 0.00 52.55 52.98 2qa4 s ASP 211 Cb -0.26 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 2qa4 s ASP 211 CO 0.32 -0.15 -0.14 0.68 0.21 0.00 0.00 175.17 176.09 2qa4 s VAL 212 N -2.28 1.13 0.24 -1.27 -7.23 -1.26 -1.69 120.40 108.03 2qa4 s VAL 212 Ca 0.11 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 2qa4 s VAL 212 Cb -0.04 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 2qa4 s VAL 212 CO 0.03 -0.11 0.43 0.00 -0.31 0.00 0.00 175.10 175.14 2qa4 s ALA 213 N -1.07 -0.02 -0.11 1.32 0.00 -0.10 -4.93 121.76 116.85 2qa4 s ALA 213 Ca -0.00 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2qa4 s ALA 213 Cb -0.09 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 2qa4 s ALA 213 CO 0.02 -0.82 -0.18 0.99 0.00 0.00 0.00 175.76 175.78 2qa4 s THR 214 N -4.03 2.63 -0.72 0.00 2.01 -1.26 0.75 115.64 115.01 2qa4 s THR 214 Ca 0.25 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2qa4 s THR 214 Cb 0.00 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.45 2qa4 s THR 214 CO 0.10 0.54 0.56 0.00 -0.69 0.00 0.00 174.62 175.13 2qa4 n ALA 215 N 3.46 0.62 0.02 7.40 0.00 -1.13 -1.65 120.51 129.23 2qa4 n ALA 215 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2qa4 n ALA 215 Cb 0.53 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 2qa4 n ALA 215 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qa4 h SER 216 N 0.00 0.00 0.00 0.00 4.64 -1.90 -3.40 113.55 112.89 2qa4 h SER 216 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qa4 h SER 216 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2qa4 h SER 216 CO 0.00 0.77 -0.31 -1.84 -0.87 0.00 0.00 176.83 174.58 2qa4 n GLU 217 N -2.99 0.22 -1.79 4.77 0.28 -0.66 -5.05 120.64 115.42 2qa4 n GLU 217 Ca -0.11 -1.02 -0.43 0.00 -0.16 0.00 0.00 57.16 55.44 2qa4 n GLU 217 Cb 0.93 -0.60 -0.03 0.00 1.43 0.00 0.00 31.44 33.16 2qa4 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2qa4 s VAL 218 N -0.28 3.23 0.18 3.84 0.11 -0.76 -4.93 120.40 121.79 2qa4 s VAL 218 Ca 0.03 0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2qa4 s VAL 218 Cb 0.02 -3.23 0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2qa4 s VAL 218 CO 0.00 -0.10 0.25 -0.46 -3.33 0.00 0.00 175.10 171.46 2qa4 n ASN 219 N 9.35 0.32 -0.09 3.54 0.23 -1.26 -5.00 115.26 122.34 2qa4 n ASN 219 Ca 0.23 -1.27 -0.12 0.00 -0.53 0.00 0.00 54.58 52.89 2qa4 n ASN 219 Cb 0.44 -0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 37.93 2qa4 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2qa4 h THR 220 N -0.47 1.30 -0.65 5.53 2.02 -1.93 -2.97 112.91 115.73 2qa4 h THR 220 Ca -0.08 -1.23 0.11 0.00 0.77 0.00 0.00 66.41 65.98 2qa4 h THR 220 Cb 0.30 1.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.14 2qa4 h THR 220 CO 0.09 0.39 0.22 -0.33 0.37 0.00 0.00 175.52 176.26 2qa4 h GLU 221 N 0.31 0.37 0.05 6.66 5.08 -1.93 0.81 114.58 125.93 2qa4 h GLU 221 Ca 0.06 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 2qa4 h GLU 221 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2qa4 h GLU 221 CO 0.04 0.24 -1.07 0.38 -1.00 0.00 0.00 179.01 177.60 2qa4 h ASP 222 N 0.38 0.21 -0.12 1.42 3.04 -1.98 -0.23 116.42 119.14 2qa4 h ASP 222 Ca 0.34 -0.21 -0.16 0.00 -3.24 0.00 0.00 57.03 53.77 2qa4 h ASP 222 Cb 0.48 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 2qa4 h ASP 222 CO -0.37 1.14 -0.48 0.25 -2.04 0.00 0.00 179.24 177.74 2qa4 h LEU 223 N 0.05 0.74 -6.05 0.15 5.85 -1.25 -3.38 115.31 111.41 2qa4 h LEU 223 Ca -0.06 -0.37 -0.54 0.00 0.84 0.00 0.00 57.88 57.75 2qa4 h LEU 223 Cb 1.80 -0.21 -0.36 0.00 0.37 0.00 0.00 40.66 42.26 2qa4 h LEU 223 CO 0.16 1.10 -1.00 0.00 -0.34 0.00 0.00 178.44 178.35 2qa4 n ALA 224 N -2.53 2.24 -1.92 1.25 0.00 0.28 -3.59 120.51 116.24 2qa4 n ALA 224 Ca -0.03 -3.09 -0.42 0.00 0.00 0.00 0.00 53.44 49.90 2qa4 n ALA 224 Cb 0.57 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2qa4 n ALA 224 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qa4 s PRO 225 N -0.52 4.20 0.00 0.00 0.04 -0.10 -1.78 135.00 136.85 2qa4 s PRO 225 Ca 0.34 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2qa4 s PRO 225 Cb 0.12 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2qa4 s PRO 225 CO -0.15 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2qa4 n GLY 226 N 3.87 0.50 2.72 0.56 0.00 -1.26 -3.19 105.19 108.38 2qa4 n GLY 226 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2qa4 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 227 N -2.95 0.70 3.60 -0.02 0.00 -0.73 -5.00 105.19 100.78 2qa4 n GLY 227 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qa4 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 228 N -2.93 3.52 0.65 4.61 0.00 -1.19 -4.31 121.76 122.10 2qa4 s ALA 228 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 2qa4 s ALA 228 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2qa4 s ALA 228 CO 0.00 -1.14 1.07 -2.14 0.00 0.00 0.00 175.76 173.55 2qa4 s PRO 229 N 2.69 3.04 0.00 0.00 0.02 -1.26 -3.80 135.00 135.68 2qa4 s PRO 229 Ca 0.26 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2qa4 s PRO 229 Cb -0.15 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2qa4 s PRO 229 CO 0.12 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 2qa4 n GLY 230 N -1.16 0.70 3.63 0.52 0.00 -1.26 -4.65 105.19 102.98 2qa4 n GLY 230 Ca 0.09 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2qa4 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qa4 s ARG 231 N -1.99 4.11 -0.70 1.61 3.52 -1.24 -3.87 118.95 120.40 2qa4 s ARG 231 Ca 0.00 0.34 -0.25 0.00 -0.13 0.00 0.00 55.73 55.69 2qa4 s ARG 231 Cb 0.00 -3.62 -0.13 0.00 -1.56 0.00 0.00 34.95 29.64 2qa4 s ARG 231 CO 0.00 -0.27 2.42 -0.11 -0.81 0.00 0.00 175.30 176.53 2qa4 n LEU 232 N 5.25 1.63 -4.22 -0.88 7.94 -1.26 -4.75 117.00 120.71 2qa4 n LEU 232 Ca -0.05 -0.85 -0.32 0.00 -1.11 0.00 0.00 56.01 53.68 2qa4 n LEU 232 Cb 0.50 -1.48 -0.16 0.00 0.53 0.00 0.00 43.42 42.81 2qa4 n LEU 232 CO 0.41 -1.92 -0.54 -0.89 -1.11 0.00 0.00 177.39 173.34 2qa4 s THR 233 N 12.06 2.22 -0.34 1.96 2.01 -1.26 -3.48 115.64 128.80 2qa4 s THR 233 Ca 1.02 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 2qa4 s THR 233 Cb -0.31 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 2qa4 s THR 233 CO 0.23 0.55 0.47 0.54 -0.69 0.00 0.00 174.62 175.73 2qa4 s VAL 234 N 0.57 5.06 0.13 3.82 0.11 -0.94 -3.31 120.40 125.83 2qa4 s VAL 234 Ca -0.12 0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 59.15 2qa4 s VAL 234 Cb -0.17 -3.91 -0.06 0.00 -1.53 0.00 0.00 36.38 30.71 2qa4 s VAL 234 CO 0.04 -0.16 0.44 -0.36 -3.33 0.00 0.00 175.10 171.73 2qa4 s PHE 235 N 2.29 3.54 0.35 1.54 0.40 -0.01 -2.39 117.98 123.70 2qa4 s PHE 235 Ca 0.17 0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 57.15 2qa4 s PHE 235 Cb -0.16 -2.17 -0.08 0.00 0.51 0.00 0.00 43.02 41.12 2qa4 s PHE 235 CO 0.13 0.45 0.76 0.99 0.70 0.00 0.00 175.22 178.25 2qa4 s THR 236 N -1.53 4.68 0.09 0.64 2.01 -1.00 -1.14 115.64 119.39 2qa4 s THR 236 Ca 0.38 0.91 -0.20 0.00 0.31 0.00 0.00 61.69 63.09 2qa4 s THR 236 Cb -0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2qa4 s THR 236 CO 0.20 -0.28 1.34 -0.08 -0.69 0.00 0.00 174.62 175.11 2qa4 h GLU 237 N 1.97 -0.10 0.00 4.92 4.57 0.24 0.76 114.58 126.94 2qa4 h GLU 237 Ca -0.48 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2qa4 h GLU 237 Cb 1.18 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2qa4 h GLU 237 CO 0.65 -0.07 0.00 0.77 -1.18 0.00 0.00 179.01 179.18 2qa4 h SER 238 N -0.10 0.00 0.48 1.04 0.02 -1.94 -3.08 113.55 109.96 2qa4 h SER 238 Ca 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2qa4 h SER 238 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2qa4 h SER 238 CO -0.50 0.00 -0.23 0.00 -1.14 0.00 0.00 176.83 174.96 2qa4 h ALA 239 N 2.17 -0.64 -1.40 3.77 0.00 -1.51 -2.89 119.26 118.76 2qa4 h ALA 239 Ca 0.00 -0.19 0.41 0.00 0.00 0.00 0.00 54.91 55.13 2qa4 h ALA 239 Cb 0.62 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2qa4 h ALA 239 CO 0.00 -0.70 0.97 1.25 0.00 0.00 0.00 179.25 180.77 2qa4 h LEU 240 N -0.95 0.12 -0.08 0.00 6.46 -0.80 0.32 115.31 120.39 2qa4 h LEU 240 Ca -0.07 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2qa4 h LEU 240 Cb 0.59 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2qa4 h LEU 240 CO 0.11 -0.03 -0.12 0.00 -0.62 0.00 0.00 178.44 177.78 2qa4 h ALA 241 N 1.38 0.12 -0.46 1.25 0.00 -1.54 -3.29 119.26 116.72 2qa4 h ALA 241 Ca 0.73 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 2qa4 h ALA 241 Cb 2.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.37 2qa4 h ALA 241 CO -0.15 -0.01 -0.04 0.93 0.00 0.00 0.00 179.25 179.98 2qa4 h GLU 242 N -0.23 0.79 -0.98 0.00 5.08 -0.20 -2.94 114.58 116.10 2qa4 h GLU 242 Ca 0.01 -0.23 0.20 0.00 -1.00 0.00 0.00 59.36 58.33 2qa4 h GLU 242 Cb 0.67 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2qa4 h GLU 242 CO 0.03 0.83 0.61 0.28 -1.00 0.00 0.00 179.01 179.76 2qa4 h VAL 243 N 0.73 0.70 -0.44 3.13 2.07 -1.39 -2.05 116.25 119.00 2qa4 h VAL 243 Ca 0.14 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2qa4 h VAL 243 Cb 0.50 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2qa4 h VAL 243 CO 0.03 0.12 0.31 0.00 0.02 0.00 0.00 177.57 178.05 2qa4 h ALA 244 N 1.63 2.36 -0.03 1.67 0.00 -1.59 -2.47 119.26 120.83 2qa4 h ALA 244 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2qa4 h ALA 244 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qa4 h ALA 244 CO -0.30 -0.48 0.00 0.39 0.00 0.00 0.00 179.25 178.86 2qa4 n GLU 245 N -4.42 2.15 0.00 0.00 1.02 -0.77 -4.80 120.64 113.82 2qa4 n GLU 245 Ca 0.07 -1.66 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 2qa4 n GLU 245 Cb 0.49 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2qa4 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85