#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 n SER 2 N 0.00 1.56 -4.04 2.55 3.41 -1.26 -4.99 113.62 110.85 2qa4 n SER 2 Ca 0.00 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2qa4 n SER 2 Cb 0.00 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 2qa4 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qa4 s SER 3 N -6.55 0.17 -0.49 4.04 1.04 -1.26 -5.11 113.70 105.54 2qa4 s SER 3 Ca -0.18 -1.01 0.08 0.00 0.48 0.00 0.00 55.95 55.31 2qa4 s SER 3 Cb 0.07 0.37 0.37 0.00 0.10 0.00 0.00 66.02 66.92 2qa4 s SER 3 CO 0.76 -0.81 0.93 -3.20 0.98 0.00 0.00 173.24 171.91 2qa4 n ASN 4 N -0.15 3.51 -3.77 7.02 5.15 -1.26 -4.96 115.26 120.80 2qa4 n ASN 4 Ca -0.07 -3.47 -0.17 0.00 -0.60 0.00 0.00 54.58 50.26 2qa4 n ASN 4 Cb 0.63 -0.55 0.10 0.00 -0.53 0.00 0.00 39.78 39.42 2qa4 n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qa4 n GLY 5 N -0.16 0.36 0.22 8.20 0.00 -1.26 -5.02 105.19 107.53 2qa4 n GLY 5 Ca 0.29 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 2qa4 n GLY 5 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qa4 h PRO 6 N 0.00 0.75 -0.54 1.61 0.11 -2.05 -3.28 132.00 128.60 2qa4 h PRO 6 Ca -0.25 -0.58 0.00 0.00 0.11 0.00 0.00 66.00 65.28 2qa4 h PRO 6 Cb 0.88 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qa4 h PRO 6 CO 0.25 1.19 0.00 1.28 -0.21 0.00 0.00 178.00 180.51 2qa4 n LEU 7 N -4.03 2.75 -4.71 2.35 4.77 -1.26 -4.65 117.00 112.22 2qa4 n LEU 7 Ca -0.07 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.11 2qa4 n LEU 7 Cb 0.68 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2qa4 n LEU 7 CO 0.51 0.53 1.35 -0.70 -1.33 0.00 0.00 177.39 177.74 2qa4 s GLU 8 N -1.63 4.16 0.00 3.23 -6.30 -1.24 -2.29 118.70 114.63 2qa4 s GLU 8 Ca 0.29 2.49 0.00 0.00 -2.50 0.00 0.00 54.97 55.25 2qa4 s GLU 8 Cb 0.18 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 31.01 2qa4 s GLU 8 CO 0.16 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2qa4 n GLY 9 N 3.97 0.30 1.39 -1.50 0.00 -1.26 -4.87 105.19 103.22 2qa4 n GLY 9 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2qa4 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qa4 n THR 10 N -2.23 1.71 -0.15 2.61 -2.24 -0.97 -4.54 114.28 108.47 2qa4 n THR 10 Ca 0.00 -0.83 -0.03 0.00 -2.27 0.00 0.00 64.05 60.92 2qa4 n THR 10 Cb 0.16 -0.52 0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2qa4 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qa4 h ARG 11 N 1.44 0.07 0.16 -0.78 2.43 -1.90 -2.99 114.38 112.82 2qa4 h ARG 11 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2qa4 h ARG 11 Cb 1.55 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2qa4 h ARG 11 CO 0.38 0.05 -0.08 0.78 -1.51 0.00 0.00 179.97 179.59 2qa4 h GLY 12 N 0.07 -0.22 1.15 2.80 0.00 -1.93 -3.14 103.07 101.79 2qa4 h GLY 12 Ca 0.24 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.67 2qa4 h GLY 12 CO -0.44 -0.08 0.41 0.07 0.00 0.00 0.00 176.54 176.50 2qa4 h LYS 13 N -0.29 0.00 -0.23 4.80 2.10 -1.91 0.34 116.57 121.38 2qa4 h LYS 13 Ca -0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2qa4 h LYS 13 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 2qa4 h LYS 13 CO 0.04 0.00 -0.01 1.28 -2.00 0.00 0.00 179.45 178.75 2qa4 n LEU 14 N -2.95 3.67 -4.33 7.07 4.77 -1.13 -4.80 117.00 119.30 2qa4 n LEU 14 Ca -0.01 -3.15 -0.29 0.00 -0.03 0.00 0.00 56.01 52.53 2qa4 n LEU 14 Cb 0.47 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 2qa4 n LEU 14 CO 0.14 0.77 -0.56 -0.75 -1.33 0.00 0.00 177.39 175.66 2qa4 s LYS 15 N -2.91 1.73 0.03 3.23 2.20 0.11 -4.71 119.74 119.42 2qa4 s LYS 15 Ca 0.41 -1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 54.85 2qa4 s LYS 15 Cb 0.34 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.71 2qa4 s LYS 15 CO 0.06 0.49 0.33 -0.80 -0.36 0.00 0.00 175.35 175.07 2qa4 s ASN 16 N -1.22 6.58 0.26 1.43 0.02 -1.26 -4.90 114.94 115.85 2qa4 s ASN 16 Ca 0.11 0.69 -0.30 0.00 -1.02 0.00 0.00 52.86 52.34 2qa4 s ASN 16 Cb -0.10 -2.14 -0.10 0.00 0.02 0.00 0.00 41.25 38.93 2qa4 s ASN 16 CO 0.02 0.24 1.39 -0.54 0.02 0.00 0.00 177.10 178.23 2qa4 s LYS 17 N -1.70 4.30 0.14 -0.60 3.01 -1.26 -4.84 119.74 118.79 2qa4 s LYS 17 Ca 0.29 2.24 0.05 0.00 -1.01 0.00 0.00 55.97 57.53 2qa4 s LYS 17 Cb -0.14 -3.12 0.43 0.00 -1.01 0.00 0.00 37.83 33.99 2qa4 s LYS 17 CO 0.16 -0.35 0.63 -2.30 0.51 0.00 0.00 175.35 174.01 2qa4 n PRO 18 N 2.10 -0.03 0.13 -1.68 -0.02 -1.26 -0.06 135.00 134.17 2qa4 n PRO 18 Ca 0.05 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2qa4 n PRO 18 Cb 0.41 -0.98 -0.15 0.00 -0.02 0.00 0.00 33.50 32.76 2qa4 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa4 h ARG 19 N 0.00 0.44 0.00 -0.52 3.08 -2.05 -3.29 114.38 112.04 2qa4 h ARG 19 Ca 0.29 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2qa4 h ARG 19 Cb 0.71 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2qa4 h ARG 19 CO -0.34 1.35 0.00 -0.25 -1.07 0.00 0.00 179.97 179.65 2qa4 n ASP 20 N -3.65 0.00 -4.69 7.04 8.00 0.91 -4.88 116.55 119.29 2qa4 n ASP 20 Ca -0.13 -1.27 -0.37 0.00 0.71 0.00 0.00 54.79 53.74 2qa4 n ASP 20 Cb 1.07 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.24 2qa4 n ASP 20 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2qa4 n ARG 21 N -0.73 0.91 0.00 -1.24 0.63 -1.16 -4.87 116.66 110.20 2qa4 n ARG 21 Ca 0.09 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2qa4 n ARG 21 Cb 0.04 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.55 2qa4 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qa4 n GLY 22 N 1.00 -0.72 0.28 5.14 0.00 -1.26 -5.00 105.19 104.63 2qa4 n GLY 22 Ca 0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 2qa4 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qa4 n THR 23 N 0.16 0.06 -2.87 2.61 -1.04 -1.26 -4.95 114.28 107.00 2qa4 n THR 23 Ca 0.00 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 2qa4 n THR 23 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 2qa4 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2qa4 s SER 24 N -0.03 5.60 0.81 8.00 0.01 -1.26 -5.08 113.70 121.76 2qa4 s SER 24 Ca 0.06 0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.28 2qa4 s SER 24 Cb -0.09 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 2qa4 s SER 24 CO 0.04 -0.87 0.39 -2.65 0.41 0.00 0.00 173.24 170.57 2qa4 n PRO 25 N -2.15 0.07 0.01 12.44 -0.02 -1.26 -4.96 135.00 139.13 2qa4 n PRO 25 Ca 0.04 0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2qa4 n PRO 25 Cb 0.59 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.19 2qa4 n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qa4 n PRO 26 N -0.82 0.63 0.23 0.52 -0.02 -1.26 -4.43 135.00 129.85 2qa4 n PRO 26 Ca 0.08 0.23 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 2qa4 n PRO 26 Cb 0.51 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 2qa4 n PRO 26 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2qa4 h GLN 27 N 0.00 -0.82 0.00 -0.52 5.75 -1.97 -2.86 115.11 114.68 2qa4 h GLN 27 Ca -0.21 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2qa4 h GLN 27 Cb 1.70 0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.44 2qa4 h GLN 27 CO 0.05 -0.55 0.00 2.89 -2.65 0.00 0.00 178.83 178.58 2qa4 n ARG 28 N -5.13 0.10 0.17 1.69 1.85 -1.26 -2.21 116.66 111.87 2qa4 n ARG 28 Ca -0.10 0.30 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 2qa4 n ARG 28 Cb 0.40 -1.68 0.23 0.00 -1.05 0.00 0.00 32.46 30.35 2qa4 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qa4 h ALA 29 N 2.44 0.93 -0.10 2.89 0.00 -1.72 -3.17 119.26 120.53 2qa4 h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qa4 h ALA 29 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qa4 h ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 2qa4 n VAL 30 N -2.75 1.47 -1.73 0.00 0.31 -0.94 -4.01 118.33 110.69 2qa4 n VAL 30 Ca 0.04 -1.53 -0.40 0.00 -0.01 0.00 0.00 64.34 62.44 2qa4 n VAL 30 Cb 0.50 0.16 0.02 0.00 -0.91 0.00 0.00 33.84 33.60 2qa4 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qa4 n GLU 31 N -0.61 2.06 -3.64 5.55 4.07 -0.95 -4.98 120.64 122.14 2qa4 n GLU 31 Ca 0.10 0.73 -0.37 0.00 -0.06 0.00 0.00 57.16 57.56 2qa4 n GLU 31 Cb 0.50 -2.50 -0.10 0.00 -0.06 0.00 0.00 31.44 29.28 2qa4 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2qa4 s GLU 32 N -2.33 3.99 0.21 5.31 0.41 -1.26 -4.86 118.70 120.17 2qa4 s GLU 32 Ca 0.61 -0.30 0.09 0.00 -0.41 0.00 0.00 54.97 54.96 2qa4 s GLU 32 Cb -0.48 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.25 2qa4 s GLU 32 CO 0.57 -0.06 -0.04 -0.06 -0.49 0.00 0.00 175.26 175.19 2qa4 s PHE 33 N 1.39 2.71 0.39 1.61 2.99 -1.26 -5.15 117.98 120.66 2qa4 s PHE 33 Ca 0.07 -0.20 0.08 0.00 0.00 0.00 0.00 56.93 56.88 2qa4 s PHE 33 Cb -0.15 -1.28 -0.07 0.00 0.00 0.00 0.00 43.02 41.53 2qa4 s PHE 33 CO 0.07 0.55 0.03 -0.51 -0.00 0.00 0.00 175.22 175.37 2qa4 s ASP 34 N -3.13 4.05 0.63 1.36 1.01 -1.26 -5.11 116.67 114.22 2qa4 s ASP 34 Ca 0.28 -1.20 -0.15 0.00 0.71 0.00 0.00 52.55 52.19 2qa4 s ASP 34 Cb -0.08 -0.44 -0.01 0.00 1.01 0.00 0.00 42.92 43.40 2qa4 s ASP 34 CO 0.18 -0.39 1.09 -1.81 0.21 0.00 0.00 175.17 174.44 2qa4 s ASP 35 N -3.74 5.40 0.00 0.27 1.11 -1.26 -3.14 116.67 115.31 2qa4 s ASP 35 Ca 0.36 1.90 0.00 0.00 0.18 0.00 0.00 52.55 54.99 2qa4 s ASP 35 Cb 0.05 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.50 2qa4 s ASP 35 CO 0.19 -1.43 0.00 0.61 1.18 0.00 0.00 175.17 175.72 2qa4 n GLY 36 N -0.79 2.73 3.72 0.21 0.00 0.81 -4.93 105.19 106.94 2qa4 n GLY 36 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qa4 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qa4 s GLU 37 N 0.00 4.46 0.01 1.61 2.02 -1.19 -4.63 118.70 120.99 2qa4 s GLU 37 Ca 0.00 1.77 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 2qa4 s GLU 37 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 2qa4 s GLU 37 CO 0.00 -0.19 1.06 0.15 0.02 0.00 0.00 175.26 176.30 2qa4 s LYS 38 N 0.68 4.50 0.00 1.61 -0.14 -1.26 -1.25 119.74 123.89 2qa4 s LYS 38 Ca 0.57 1.54 0.00 0.00 -1.36 0.00 0.00 55.97 56.72 2qa4 s LYS 38 Cb -0.30 -3.43 -0.01 0.00 -1.68 0.00 0.00 37.83 32.41 2qa4 s LYS 38 CO 0.31 -0.15 -0.02 0.14 -0.76 0.00 0.00 175.35 174.87 2qa4 s VAL 39 N 1.13 0.13 -0.17 3.17 -7.23 -0.81 -1.63 120.40 114.99 2qa4 s VAL 39 Ca 0.54 -0.25 -0.17 0.00 -1.81 0.00 0.00 61.98 60.29 2qa4 s VAL 39 Cb -0.24 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 2qa4 s VAL 39 CO 0.28 -0.08 0.44 -1.00 -0.31 0.00 0.00 175.10 174.42 2qa4 s HIS 40 N -0.33 3.43 -0.17 2.82 0.09 0.24 -2.38 115.29 118.98 2qa4 s HIS 40 Ca -0.03 0.73 -0.21 0.00 -0.00 0.00 0.00 55.06 55.56 2qa4 s HIS 40 Cb -0.03 -2.54 -0.03 0.00 -0.00 0.00 0.00 32.58 29.98 2qa4 s HIS 40 CO -0.00 0.05 0.62 -0.51 -0.00 0.00 0.00 174.74 174.91 2qa4 s LEU 41 N 1.07 4.18 -0.27 0.89 1.02 0.32 -1.92 118.68 123.98 2qa4 s LEU 41 Ca 0.22 0.89 -0.05 0.00 0.02 0.00 0.00 54.13 55.21 2qa4 s LEU 41 Cb -0.15 -2.90 0.15 0.00 0.02 0.00 0.00 46.19 43.31 2qa4 s LEU 41 CO 0.09 -0.22 0.54 -0.75 0.02 0.00 0.00 176.35 176.03 2qa4 s LYS 42 N 1.60 0.49 0.38 1.70 2.47 -1.15 -0.07 119.74 125.16 2qa4 s LYS 42 Ca 0.30 1.04 -0.26 0.00 -1.56 0.00 0.00 55.97 55.48 2qa4 s LYS 42 Cb -0.16 0.40 -0.09 0.00 -1.46 0.00 0.00 37.83 36.53 2qa4 s LYS 42 CO 0.11 -0.46 1.23 0.42 0.16 0.00 0.00 175.35 176.82 2qa4 s ILE 43 N 2.77 2.93 -0.37 5.43 1.01 -1.26 -4.48 121.20 127.24 2qa4 s ILE 43 Ca 0.09 0.84 -0.14 0.00 0.00 0.00 0.00 60.65 61.43 2qa4 s ILE 43 Cb -0.14 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2qa4 s ILE 43 CO -0.18 0.13 0.30 -0.62 0.00 0.00 0.00 174.94 174.57 2qa4 s ASP 44 N -0.87 6.11 0.60 3.58 -1.08 -1.26 -4.94 116.67 118.81 2qa4 s ASP 44 Ca 0.54 -0.52 0.30 0.00 -0.52 0.00 0.00 52.55 52.35 2qa4 s ASP 44 Cb -0.35 -2.17 1.66 0.00 -1.46 0.00 0.00 42.92 40.60 2qa4 s ASP 44 CO 0.45 -0.35 1.92 -0.65 0.52 0.00 0.00 175.17 177.06 2qa4 h PRO 45 N 8.54 0.00 0.12 4.34 0.11 -1.87 -2.26 132.00 140.99 2qa4 h PRO 45 Ca -0.29 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.59 2qa4 h PRO 45 Cb 1.14 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.27 2qa4 h PRO 45 CO 0.69 0.00 -0.95 0.77 -0.21 0.00 0.00 178.00 178.30 2qa4 h SER 46 N 0.00 0.62 -3.35 -2.05 0.02 -1.92 -3.43 113.55 103.44 2qa4 h SER 46 Ca 0.00 -0.88 -0.69 0.00 -0.84 0.00 0.00 61.79 59.38 2qa4 h SER 46 Cb 0.47 -0.20 -0.19 0.00 0.14 0.00 0.00 62.40 62.62 2qa4 h SER 46 CO 0.00 1.44 -0.07 -0.69 -1.14 0.00 0.00 176.83 176.37 2qa4 s VAL 47 N -2.74 4.98 -0.45 2.27 1.01 -0.85 -4.89 120.40 119.73 2qa4 s VAL 47 Ca -0.12 -0.51 0.25 0.00 0.00 0.00 0.00 61.98 61.60 2qa4 s VAL 47 Cb 0.03 -4.20 0.28 0.00 0.00 0.00 0.00 36.38 32.49 2qa4 s VAL 47 CO 0.87 -0.66 1.76 -0.65 0.00 0.00 0.00 175.10 176.42 2qa4 h PRO 48 N 8.88 0.00 -5.93 2.72 0.11 -1.84 -3.43 132.00 132.52 2qa4 h PRO 48 Ca -0.27 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.22 2qa4 h PRO 48 Cb 1.10 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 2qa4 h PRO 48 CO 0.90 0.00 -0.35 -0.80 -0.21 0.00 0.00 178.00 177.55 2qa4 s ASN 49 N -4.57 6.55 0.00 -2.05 0.01 -1.26 -4.33 114.94 109.29 2qa4 s ASN 49 Ca 0.05 0.65 0.00 0.00 -0.71 0.00 0.00 52.86 52.85 2qa4 s ASN 49 Cb 0.10 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.63 2qa4 s ASN 49 CO 0.46 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.93 2qa4 n GLY 50 N 1.26 0.42 3.81 0.66 0.00 -1.26 -4.74 105.19 105.34 2qa4 n GLY 50 Ca -0.12 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2qa4 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qa4 s ARG 51 N -2.11 2.22 0.00 1.61 0.52 -1.26 -2.02 118.95 117.90 2qa4 s ARG 51 Ca 0.00 0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 2qa4 s ARG 51 Cb 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2qa4 s ARG 51 CO 0.00 -1.53 0.00 1.97 0.02 0.00 0.00 175.30 175.76 2qa4 n PHE 52 N -3.37 0.00 -2.69 -0.53 1.16 -1.26 -4.77 117.46 106.00 2qa4 n PHE 52 Ca 0.07 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.23 2qa4 n PHE 52 Cb 0.56 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.40 2qa4 n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2qa4 s HIS 53 N -1.22 3.62 -0.46 2.97 5.65 -1.26 -4.87 115.29 119.72 2qa4 s HIS 53 Ca 0.00 1.66 0.00 0.00 0.25 0.00 0.00 55.06 56.97 2qa4 s HIS 53 Cb 0.00 -3.15 0.00 0.00 -1.18 0.00 0.00 32.58 28.25 2qa4 s HIS 53 CO 0.00 -0.13 0.50 -2.30 -0.65 0.00 0.00 174.74 172.16 2qa4 n PRO 54 N 4.05 0.00 0.11 2.88 -0.02 -1.26 0.15 135.00 140.90 2qa4 n PRO 54 Ca 0.07 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.43 2qa4 n PRO 54 Cb 0.50 -1.72 -0.15 0.00 -0.02 0.00 0.00 33.50 32.11 2qa4 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa4 h ARG 55 N 0.00 0.44 0.00 -0.52 3.08 -1.90 -3.34 114.38 112.15 2qa4 h ARG 55 Ca 0.00 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.29 2qa4 h ARG 55 Cb 0.43 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2qa4 h ARG 55 CO 0.00 1.35 0.00 1.19 -1.07 0.00 0.00 179.97 181.44 2qa4 n PHE 56 N -3.63 0.00 -1.66 3.04 3.72 0.12 -4.84 117.46 114.21 2qa4 n PHE 56 Ca -0.20 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.74 2qa4 n PHE 56 Cb 1.09 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 39.39 2qa4 n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qa4 n ASP 57 N -1.19 3.01 0.00 4.37 9.92 -1.25 -1.10 116.55 130.31 2qa4 n ASP 57 Ca 0.13 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.48 2qa4 n ASP 57 Cb 0.15 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.21 2qa4 n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qa4 n GLY 58 N 3.36 3.45 3.74 0.44 0.00 0.89 -5.02 105.19 112.06 2qa4 n GLY 58 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2qa4 n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qa4 n GLN 59 N -1.91 1.88 -3.75 1.61 1.13 -0.26 -4.66 117.38 111.43 2qa4 n GLN 59 Ca 0.00 0.68 -0.30 0.00 -1.94 0.00 0.00 57.00 55.45 2qa4 n GLN 59 Cb 0.00 -2.56 -0.15 0.00 0.11 0.00 0.00 30.24 27.64 2qa4 n GLN 59 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2qa4 s THR 60 N -1.25 0.91 0.00 5.09 2.01 -1.26 -0.52 115.64 120.62 2qa4 s THR 60 Ca 0.67 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2qa4 s THR 60 Cb -0.44 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.44 2qa4 s THR 60 CO 0.53 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 2qa4 n GLY 61 N 4.84 4.22 3.08 4.40 0.00 -1.00 -4.86 105.19 115.88 2qa4 n GLY 61 Ca -0.03 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 2qa4 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s THR 62 N 2.25 1.11 -0.20 2.61 2.01 -1.16 -1.93 115.64 120.33 2qa4 s THR 62 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 2qa4 s THR 62 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2qa4 s THR 62 CO 0.00 0.32 0.99 -0.69 -0.69 0.00 0.00 174.62 174.56 2qa4 s VAL 63 N -0.03 4.73 -0.53 3.82 1.01 -0.38 -0.47 120.40 128.57 2qa4 s VAL 63 Ca -0.01 1.95 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2qa4 s VAL 63 Cb -0.09 -4.27 0.16 0.00 0.00 0.00 0.00 36.38 32.18 2qa4 s VAL 63 CO 0.01 -0.11 0.35 -1.61 0.00 0.00 0.00 175.10 173.74 2qa4 s GLU 64 N 2.84 1.61 0.09 2.72 0.41 -0.67 -0.13 118.70 125.57 2qa4 s GLU 64 Ca 0.43 -2.51 0.00 0.00 -0.41 0.00 0.00 54.97 52.48 2qa4 s GLU 64 Cb -0.16 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 2qa4 s GLU 64 CO 0.09 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 2qa4 n GLY 65 N 2.80 -1.77 3.37 -1.39 0.00 -1.26 -4.60 105.19 102.34 2qa4 n GLY 65 Ca 0.18 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 2qa4 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s LYS 66 N -1.79 1.65 -0.27 1.61 -2.85 -1.26 -1.19 119.74 115.64 2qa4 s LYS 66 Ca 0.00 -1.95 -0.02 0.00 -1.00 0.00 0.00 55.97 53.00 2qa4 s LYS 66 Cb 0.00 -0.21 0.09 0.00 -2.06 0.00 0.00 37.83 35.65 2qa4 s LYS 66 CO 0.00 -0.44 0.08 -1.14 0.10 0.00 0.00 175.35 173.94 2qa4 s GLN 67 N -3.80 0.67 7.76 1.78 0.74 0.28 -4.82 119.66 122.27 2qa4 s GLN 67 Ca 0.34 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.94 2qa4 s GLN 67 Cb 0.05 -1.96 0.00 0.00 1.10 0.00 0.00 33.01 32.20 2qa4 s GLN 67 CO 0.17 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.45 2qa4 n GLY 68 N 4.95 2.77 0.12 2.59 0.00 -1.26 -2.21 105.19 112.15 2qa4 n GLY 68 Ca -0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 2qa4 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa4 n ASP 69 N 8.48 1.45 -4.72 1.61 8.00 -1.26 -4.94 116.55 125.18 2qa4 n ASP 69 Ca 0.00 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 2qa4 n ASP 69 Cb 0.00 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 2qa4 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 n ALA 70 N -2.95 1.65 -2.50 2.24 0.00 -0.94 -4.78 120.51 113.23 2qa4 n ALA 70 Ca -0.34 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 2qa4 n ALA 70 Cb 1.05 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2qa4 n ALA 70 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2qa4 s TYR 71 N -0.84 3.48 -0.22 0.00 1.51 -0.40 0.98 117.35 121.86 2qa4 s TYR 71 Ca 0.58 0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 57.24 2qa4 s TYR 71 Cb -0.55 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 2qa4 s TYR 71 CO 0.59 0.13 -0.03 0.15 -1.11 0.00 0.00 175.55 175.28 2qa4 s LYS 72 N -3.70 3.41 -0.02 -0.62 1.02 -0.33 -1.34 119.74 118.16 2qa4 s LYS 72 Ca 0.44 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.87 2qa4 s LYS 72 Cb -0.11 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2qa4 s LYS 72 CO 0.31 -0.18 -0.17 0.08 -0.92 0.00 0.00 175.35 174.47 2qa4 s VAL 73 N 1.45 2.83 -0.61 3.17 1.01 0.08 -1.67 120.40 126.66 2qa4 s VAL 73 Ca 0.05 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 2qa4 s VAL 73 Cb -0.14 -2.12 0.15 0.00 0.00 0.00 0.00 36.38 34.27 2qa4 s VAL 73 CO -0.02 0.51 0.57 -1.81 0.00 0.00 0.00 175.10 174.35 2qa4 s ASP 74 N -0.94 6.31 0.17 3.32 1.11 0.38 -0.46 116.67 126.56 2qa4 s ASP 74 Ca 0.12 -1.95 0.06 0.00 0.18 0.00 0.00 52.55 50.96 2qa4 s ASP 74 Cb -0.10 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.63 2qa4 s ASP 74 CO 0.02 -0.82 0.10 0.27 1.18 0.00 0.00 175.17 175.92 2qa4 s ILE 75 N 1.39 4.29 -0.27 0.77 -4.36 -0.41 -2.97 121.20 119.65 2qa4 s ILE 75 Ca 0.07 -1.17 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 2qa4 s ILE 75 Cb -0.25 -3.18 0.02 0.00 1.25 0.00 0.00 42.46 40.29 2qa4 s ILE 75 CO 0.01 -0.11 0.01 -0.69 0.24 0.00 0.00 174.94 174.40 2qa4 s VAL 76 N -1.74 3.43 -0.68 8.37 1.01 -1.26 -0.87 120.40 128.65 2qa4 s VAL 76 Ca 0.30 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2qa4 s VAL 76 Cb -0.10 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.67 2qa4 s VAL 76 CO 0.22 0.16 0.75 -0.62 0.00 0.00 0.00 175.10 175.61 2qa4 s ASP 77 N 1.42 6.36 0.90 3.32 2.15 0.12 -4.86 116.67 126.07 2qa4 s ASP 77 Ca 0.02 -1.81 0.00 0.00 0.43 0.00 0.00 52.55 51.19 2qa4 s ASP 77 Cb -0.17 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2qa4 s ASP 77 CO -0.01 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.63 2qa4 n GLY 78 N 5.05 1.65 0.01 2.66 0.00 -1.26 -1.79 105.19 111.52 2qa4 n GLY 78 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.95 2qa4 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 79 N 0.00 0.31 3.77 -0.02 0.00 -1.26 -5.01 105.19 102.97 2qa4 n GLY 79 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2qa4 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qa4 s LYS 80 N -1.59 4.33 -0.08 1.61 2.20 -0.74 -5.06 119.74 120.42 2qa4 s LYS 80 Ca 0.03 0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 56.20 2qa4 s LYS 80 Cb 0.05 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2qa4 s LYS 80 CO 0.27 0.41 0.71 -2.00 -0.36 0.00 0.00 175.35 174.38 2qa4 s GLU 81 N -0.37 4.42 0.06 4.03 2.12 -1.26 0.10 118.70 127.80 2qa4 s GLU 81 Ca 0.32 0.88 0.02 0.00 0.36 0.00 0.00 54.97 56.56 2qa4 s GLU 81 Cb -0.19 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2qa4 s GLU 81 CO 0.19 0.03 -0.08 0.15 -0.54 0.00 0.00 175.26 175.01 2qa4 s LYS 82 N 0.91 0.61 -0.17 4.30 1.02 -0.05 -4.94 119.74 121.41 2qa4 s LYS 82 Ca 0.37 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.47 2qa4 s LYS 82 Cb -0.18 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2qa4 s LYS 82 CO 0.18 0.05 -0.10 0.99 -0.92 0.00 0.00 175.35 175.55 2qa4 s THR 83 N -1.77 3.10 -0.09 2.17 2.01 -1.26 -1.28 115.64 118.52 2qa4 s THR 83 Ca -0.05 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2qa4 s THR 83 Cb -0.07 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2qa4 s THR 83 CO -0.00 0.48 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.64 2qa4 s ILE 84 N 0.93 3.07 -0.44 1.82 1.01 0.39 -4.91 121.20 123.06 2qa4 s ILE 84 Ca -0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2qa4 s ILE 84 Cb -0.15 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2qa4 s ILE 84 CO -0.00 0.56 0.42 -0.63 0.00 0.00 0.00 174.94 175.28 2qa4 s ILE 85 N -0.20 5.14 -0.02 2.92 -1.09 -1.26 -0.74 121.20 125.95 2qa4 s ILE 85 Ca 0.00 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 57.80 2qa4 s ILE 85 Cb -0.13 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 2qa4 s ILE 85 CO 0.03 -0.48 0.05 0.54 -1.23 0.00 0.00 174.94 173.85 2qa4 s VAL 86 N 1.97 -0.02 0.82 2.92 0.11 -0.45 -4.64 120.40 121.10 2qa4 s VAL 86 Ca 0.09 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 2qa4 s VAL 86 Cb -0.19 -0.09 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 2qa4 s VAL 86 CO 0.11 0.03 1.09 0.42 -3.33 0.00 0.00 175.10 173.42 2qa4 s THR 87 N 0.41 3.09 0.51 5.04 -4.23 -0.86 -1.28 115.64 118.33 2qa4 s THR 87 Ca -0.03 0.35 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 2qa4 s THR 87 Cb -0.05 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.22 2qa4 s THR 87 CO -0.01 -0.46 2.00 0.00 -0.54 0.00 0.00 174.62 175.60 2qa4 h ALA 88 N -1.22 2.38 -0.67 3.99 0.00 -1.87 -2.79 119.26 119.09 2qa4 h ALA 88 Ca -0.47 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.55 2qa4 h ALA 88 Cb 1.26 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2qa4 h ALA 88 CO 0.56 -0.52 -0.30 0.00 0.00 0.00 0.00 179.25 178.99 2qa4 h ALA 89 N 1.74 0.12 -0.68 0.00 0.00 -1.70 -1.33 119.26 117.41 2qa4 h ALA 89 Ca 0.25 0.21 -0.40 0.00 0.00 0.00 0.00 54.91 54.97 2qa4 h ALA 89 Cb 0.88 0.75 -0.21 0.00 0.00 0.00 0.00 17.79 19.21 2qa4 h ALA 89 CO -0.02 -0.60 0.51 0.72 0.00 0.00 0.00 179.25 179.86 2qa4 n HIS 90 N -5.45 2.14 -4.59 0.00 8.25 -1.05 -4.78 115.22 109.74 2qa4 n HIS 90 Ca 0.06 -1.82 -0.22 0.00 -0.26 0.00 0.00 57.72 55.48 2qa4 n HIS 90 Cb 0.37 -0.90 -0.15 0.00 1.12 0.00 0.00 29.99 30.43 2qa4 n HIS 90 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qa4 s LEU 91 N -2.40 2.07 0.02 2.41 1.43 -0.50 -2.93 118.68 118.78 2qa4 s LEU 91 Ca 0.41 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 2qa4 s LEU 91 Cb 0.34 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 2qa4 s LEU 91 CO 0.04 0.14 -0.14 -0.13 0.23 0.00 0.00 176.35 176.49 2qa4 s ARG 92 N -0.59 1.00 0.14 1.70 1.81 -0.81 -4.96 118.95 117.25 2qa4 s ARG 92 Ca 0.05 -0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 53.07 2qa4 s ARG 92 Cb -0.06 -1.00 -0.07 0.00 -0.45 0.00 0.00 34.95 33.37 2qa4 s ARG 92 CO 0.00 0.26 1.23 1.03 -0.68 0.00 0.00 175.30 177.14 2qa4 s ARG 93 N -0.90 4.44 0.17 3.54 0.52 -1.26 -0.59 118.95 124.86 2qa4 s ARG 93 Ca 0.03 1.88 -0.29 0.00 -0.52 0.00 0.00 55.73 56.84 2qa4 s ARG 93 Cb -0.07 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.05 2qa4 s ARG 93 CO 0.01 -0.20 0.90 -1.14 0.02 0.00 0.00 175.30 174.89 2qa4 s GLN 94 N 0.35 4.72 0.00 3.54 0.74 -0.65 -4.82 119.66 123.54 2qa4 s GLN 94 Ca 0.56 1.38 0.00 0.00 0.05 0.00 0.00 55.36 57.35 2qa4 s GLN 94 Cb -0.33 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.47 2qa4 s GLN 94 CO 0.34 0.41 0.00 0.39 -0.55 0.00 0.00 175.29 175.87