#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s ASP 2 N 0.00 -0.33 -0.01 3.42 2.15 -1.26 -5.00 116.67 115.64 2qa4 s ASP 2 Ca 0.00 -1.87 0.01 0.00 0.43 0.00 0.00 52.55 51.12 2qa4 s ASP 2 Cb 0.00 1.13 0.05 0.00 -0.30 0.00 0.00 42.92 43.81 2qa4 s ASP 2 CO 0.00 -0.13 0.82 0.18 -0.17 0.00 0.00 175.17 175.86 2qa4 n LEU 3 N 3.38 0.81 -0.08 -1.34 4.77 -1.26 -4.25 117.00 119.03 2qa4 n LEU 3 Ca 0.18 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 2qa4 n LEU 3 Cb 0.52 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2qa4 n LEU 3 CO 0.03 0.17 0.94 0.77 -1.33 0.00 0.00 177.39 177.97 2qa4 h SER 4 N 0.30 0.34 -0.44 -1.43 4.64 -1.99 0.14 113.55 115.11 2qa4 h SER 4 Ca 0.00 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 2qa4 h SER 4 Cb 0.34 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2qa4 h SER 4 CO 0.02 0.33 0.16 0.00 -0.87 0.00 0.00 176.83 176.46 2qa4 h ALA 5 N 1.03 0.58 -0.66 5.18 0.00 -2.00 -2.28 119.26 121.10 2qa4 h ALA 5 Ca 0.10 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2qa4 h ALA 5 Cb 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2qa4 h ALA 5 CO -0.02 0.21 0.21 1.96 0.00 0.00 0.00 179.25 181.61 2qa4 h GLN 6 N 0.57 0.35 -0.48 0.00 7.50 -1.79 -0.96 115.11 120.29 2qa4 h GLN 6 Ca 0.14 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.34 2qa4 h GLN 6 Cb 0.23 -0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.63 2qa4 h GLN 6 CO -0.01 0.23 0.17 0.87 -1.50 0.00 0.00 178.83 178.59 2qa4 h LYS 7 N 0.36 0.33 -0.30 1.46 1.79 -0.42 0.10 116.57 119.89 2qa4 h LYS 7 Ca 0.35 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.77 2qa4 h LYS 7 Cb 0.50 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2qa4 h LYS 7 CO -0.38 0.22 0.05 -0.09 -1.08 0.00 0.00 179.45 178.17 2qa4 h ARG 8 N 0.34 0.44 -0.03 3.15 2.43 -0.76 -2.67 114.38 117.28 2qa4 h ARG 8 Ca 0.23 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2qa4 h ARG 8 Cb 0.25 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2qa4 h ARG 8 CO -0.24 0.43 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.46 2qa4 h LEU 9 N 0.44 0.16 -0.36 3.80 3.38 -0.15 -3.08 115.31 119.50 2qa4 h LEU 9 Ca 0.10 -0.64 0.08 0.00 0.09 0.00 0.00 57.88 57.51 2qa4 h LEU 9 Cb 0.21 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 2qa4 h LEU 9 CO -0.00 0.77 -0.15 0.00 0.09 0.00 0.00 178.44 179.15 2qa4 h ALA 10 N 0.40 0.14 -0.22 1.53 0.00 -0.74 -0.24 119.26 120.13 2qa4 h ALA 10 Ca -0.01 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2qa4 h ALA 10 Cb 0.76 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2qa4 h ALA 10 CO 0.03 -0.52 0.18 0.00 0.00 0.00 0.00 179.25 178.93 2qa4 h ALA 11 N 1.21 2.08 0.00 0.00 0.00 -1.55 0.18 119.26 121.18 2qa4 h ALA 11 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qa4 h ALA 11 Cb 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qa4 h ALA 11 CO -0.42 -0.29 -0.06 0.22 0.00 0.00 0.00 179.25 178.70 2qa4 h ASP 12 N 0.00 0.00 0.54 0.00 1.82 -0.99 0.33 116.42 118.11 2qa4 h ASP 12 Ca 0.10 -0.98 -0.03 0.00 -0.39 0.00 0.00 57.03 55.74 2qa4 h ASP 12 Cb 0.46 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2qa4 h ASP 12 CO -0.00 1.02 -0.26 1.62 -1.61 0.00 0.00 179.24 180.01 2qa4 h VAL 13 N -1.00 0.46 0.00 2.25 3.04 -0.85 -2.51 116.25 117.64 2qa4 h VAL 13 Ca -0.02 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 2qa4 h VAL 13 Cb 1.02 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2qa4 h VAL 13 CO -0.01 0.01 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.33 2qa4 h LEU 14 N -0.77 0.00 -2.54 3.16 3.38 -0.83 -3.47 115.31 114.23 2qa4 h LEU 14 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qa4 h LEU 14 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2qa4 h LEU 14 CO 0.12 0.16 -0.14 -0.67 0.09 0.00 0.00 178.44 178.01 2qa4 n ASP 15 N -3.83 -6.03 -3.46 -0.43 -0.08 -0.75 -5.05 116.55 96.92 2qa4 n ASP 15 Ca -0.02 0.12 -0.12 0.00 -1.51 0.00 0.00 54.79 53.26 2qa4 n ASP 15 Cb 0.26 -3.99 -0.03 0.00 2.34 0.00 0.00 41.12 39.71 2qa4 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2qa4 s VAL 16 N -2.64 0.01 0.24 5.18 1.01 0.03 -5.02 120.40 119.21 2qa4 s VAL 16 Ca 0.07 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2qa4 s VAL 16 Cb -0.02 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2qa4 s VAL 16 CO 0.52 -0.05 1.30 -0.83 0.00 0.00 0.00 175.10 176.04 2qa4 s GLY 17 N -2.59 2.61 0.34 4.51 0.00 -1.26 -4.52 107.32 106.42 2qa4 s GLY 17 Ca -0.00 1.14 0.26 0.00 0.00 0.00 0.00 44.72 46.12 2qa4 s GLY 17 CO -0.10 2.01 1.21 0.28 0.00 0.00 0.00 173.10 176.50 2qa4 n LYS 18 N 2.08 -0.03 0.01 2.90 5.02 -1.26 0.38 118.16 127.27 2qa4 n LYS 18 Ca 0.04 0.97 0.09 0.00 -2.02 0.00 0.00 58.31 57.39 2qa4 n LYS 18 Cb 0.42 -1.92 0.40 0.00 -0.02 0.00 0.00 35.03 33.91 2qa4 n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qa4 n ASN 19 N -4.23 0.06 -0.04 4.39 3.02 -1.26 -3.04 115.26 114.16 2qa4 n ASN 19 Ca 0.31 0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 55.36 2qa4 n ASN 19 Cb 1.23 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 39.73 2qa4 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qa4 n ARG 20 N -1.56 0.66 -1.95 3.52 1.74 0.16 -4.94 116.66 114.30 2qa4 n ARG 20 Ca 0.04 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2qa4 n ARG 20 Cb 0.22 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2qa4 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qa4 s VAL 21 N -2.91 2.60 0.02 1.55 -7.23 -1.17 -1.15 120.40 112.11 2qa4 s VAL 21 Ca -0.08 0.45 0.06 0.00 -1.81 0.00 0.00 61.98 60.61 2qa4 s VAL 21 Cb 0.09 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 2qa4 s VAL 21 CO 0.85 0.05 -0.18 0.86 -0.31 0.00 0.00 175.10 176.37 2qa4 s TRP 22 N 0.79 2.57 -0.09 2.82 -0.00 0.13 -4.92 118.94 120.24 2qa4 s TRP 22 Ca 0.67 -0.25 0.03 0.00 -0.00 0.00 0.00 56.10 56.55 2qa4 s TRP 22 Cb -0.43 -1.50 0.01 0.00 -0.00 0.00 0.00 33.47 31.54 2qa4 s TRP 22 CO 0.35 0.21 -0.19 -0.06 -0.00 0.00 0.00 176.95 177.27 2qa4 s PHE 23 N -0.86 2.12 0.04 5.86 0.08 -1.26 -1.96 117.98 122.01 2qa4 s PHE 23 Ca 0.14 -0.88 -0.31 0.00 0.12 0.00 0.00 56.93 55.99 2qa4 s PHE 23 Cb -0.10 -1.47 -0.10 0.00 -0.57 0.00 0.00 43.02 40.78 2qa4 s PHE 23 CO 0.04 -0.39 1.93 -1.71 -0.10 0.00 0.00 175.22 174.98 2qa4 n ASN 24 N 3.74 4.01 -0.48 1.36 2.85 -0.54 -4.81 115.26 121.38 2qa4 n ASN 24 Ca -0.20 0.93 0.00 0.00 -0.11 0.00 0.00 54.58 55.20 2qa4 n ASN 24 Cb 0.52 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.04 2qa4 n ASN 24 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qa4 n PRO 25 N 6.92 0.09 0.00 1.20 -0.02 -1.26 -1.91 135.00 140.02 2qa4 n PRO 25 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2qa4 n PRO 25 Cb 0.38 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 2qa4 n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qa4 n GLU 26 N 0.43 0.05 -0.71 -0.52 1.02 -1.26 -4.83 120.64 114.81 2qa4 n GLU 26 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2qa4 n GLU 26 Cb 0.02 -0.74 0.06 0.00 -0.02 0.00 0.00 31.44 30.76 2qa4 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qa4 n ARG 27 N -1.97 1.66 -0.12 3.49 1.74 -0.80 -4.46 116.66 116.21 2qa4 n ARG 27 Ca 0.00 -1.43 0.02 0.00 -0.77 0.00 0.00 57.85 55.67 2qa4 n ARG 27 Cb 0.24 -1.56 0.31 0.00 -1.02 0.00 0.00 32.46 30.43 2qa4 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qa4 h GLN 28 N 0.94 0.80 0.18 5.56 4.20 -1.88 -1.48 115.11 123.42 2qa4 h GLN 28 Ca 0.28 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 2qa4 h GLN 28 Cb 1.39 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2qa4 h GLN 28 CO 0.61 0.55 -0.09 0.78 -0.67 0.00 0.00 178.83 180.01 2qa4 h GLY 29 N 0.84 -0.25 1.01 3.46 0.00 -1.95 -0.28 103.07 105.89 2qa4 h GLY 29 Ca 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2qa4 h GLY 29 CO -0.04 -0.09 0.48 -0.55 0.00 0.00 0.00 176.54 176.34 2qa4 h ASP 30 N -0.37 0.98 -0.03 0.19 3.32 -1.85 -2.08 116.42 116.57 2qa4 h ASP 30 Ca -0.02 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2qa4 h ASP 30 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qa4 h ASP 30 CO 0.04 0.76 -0.21 0.40 -1.72 0.00 0.00 179.24 178.51 2qa4 h ILE 31 N 1.11 1.25 -0.31 0.35 2.04 -1.17 -2.33 117.51 118.45 2qa4 h ILE 31 Ca 0.29 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2qa4 h ILE 31 Cb -0.04 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2qa4 h ILE 31 CO -0.05 0.36 0.13 0.00 0.00 0.00 0.00 178.15 178.59 2qa4 h ALA 32 N 1.41 1.65 -0.04 1.87 0.00 -0.34 -1.69 119.26 122.12 2qa4 h ALA 32 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qa4 h ALA 32 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qa4 h ALA 32 CO 0.04 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 2qa4 n ASP 33 N -4.42 0.37 -4.56 0.00 8.00 -0.88 -4.70 116.55 110.37 2qa4 n ASP 33 Ca 0.02 -1.52 -0.42 0.00 0.71 0.00 0.00 54.79 53.57 2qa4 n ASP 33 Cb 0.13 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2qa4 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 s ALA 34 N -1.95 2.97 -0.16 2.24 0.00 -0.64 -4.81 121.76 119.41 2qa4 s ALA 34 Ca 0.27 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2qa4 s ALA 34 Cb 0.13 -4.04 -0.15 0.00 0.00 0.00 0.00 23.12 19.06 2qa4 s ALA 34 CO 0.21 -2.78 -0.05 -0.89 0.00 0.00 0.00 175.76 172.24 2qa4 n ILE 35 N 6.48 1.03 -3.67 0.00 2.08 -1.26 -4.82 119.36 119.21 2qa4 n ILE 35 Ca 0.05 -0.52 -0.25 0.00 0.56 0.00 0.00 62.75 62.60 2qa4 n ILE 35 Cb 0.49 -0.88 -0.02 0.00 -0.75 0.00 0.00 39.64 38.48 2qa4 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qa4 s THR 36 N -2.36 5.19 0.59 1.39 -4.23 -1.26 -4.96 115.64 109.99 2qa4 s THR 36 Ca -0.16 -0.52 0.31 0.00 -1.18 0.00 0.00 61.69 60.13 2qa4 s THR 36 Cb 0.05 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.46 2qa4 s THR 36 CO 0.52 -0.31 2.26 0.03 -0.54 0.00 0.00 174.62 176.57 2qa4 h ARG 37 N 1.48 0.00 0.08 3.99 3.08 -2.00 -1.79 114.38 119.22 2qa4 h ARG 37 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2qa4 h ARG 37 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2qa4 h ARG 37 CO 0.65 0.01 -0.04 1.49 -1.07 0.00 0.00 179.97 181.00 2qa4 h GLU 38 N 0.00 -0.11 -1.06 0.04 4.57 -2.00 -2.88 114.58 113.15 2qa4 h GLU 38 Ca -0.00 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.47 2qa4 h GLU 38 Cb 0.02 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.53 2qa4 h GLU 38 CO 0.00 0.40 0.67 -0.44 -1.18 0.00 0.00 179.01 178.46 2qa4 h ASP 39 N -0.70 0.46 0.45 1.04 3.32 -1.72 0.13 116.42 119.40 2qa4 h ASP 39 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2qa4 h ASP 39 Cb 0.56 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2qa4 h ASP 39 CO 0.02 0.06 -0.22 0.58 -1.72 0.00 0.00 179.24 177.96 2qa4 h VAL 40 N 0.39 0.51 -0.69 -1.35 2.07 -1.51 -2.29 116.25 113.38 2qa4 h VAL 40 Ca 0.62 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.92 2qa4 h VAL 40 Cb 1.56 0.67 -0.13 0.00 -1.52 0.00 0.00 31.29 31.86 2qa4 h VAL 40 CO -0.34 0.06 -0.17 0.03 0.02 0.00 0.00 177.57 177.17 2qa4 h ARG 41 N -0.83 -0.00 -0.74 1.57 3.08 -0.57 0.21 114.38 117.10 2qa4 h ARG 41 Ca -0.06 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.09 2qa4 h ARG 41 Cb 0.56 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 2qa4 h ARG 41 CO 0.10 -0.00 0.38 1.49 -1.07 0.00 0.00 179.97 180.87 2qa4 h GLU 42 N -0.00 0.62 0.00 0.04 4.81 -1.14 0.14 114.58 119.06 2qa4 h GLU 42 Ca 0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2qa4 h GLU 42 Cb 0.50 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qa4 h GLU 42 CO -0.71 0.41 0.00 -0.07 -0.73 0.00 0.00 179.01 177.91 2qa4 h LEU 43 N 0.64 0.00 0.01 1.64 3.38 -0.12 -2.77 115.31 118.09 2qa4 h LEU 43 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 2qa4 h LEU 43 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qa4 h LEU 43 CO -0.27 0.00 -0.00 0.58 0.09 0.00 0.00 178.44 178.84 2qa4 h VAL 44 N 0.00 1.59 -0.01 1.22 2.07 0.18 -0.92 116.25 120.38 2qa4 h VAL 44 Ca 0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2qa4 h VAL 44 Cb 0.68 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2qa4 h VAL 44 CO 0.00 0.48 0.03 0.44 0.02 0.00 0.00 177.57 178.55 2qa4 h ASP 45 N -0.84 0.00 0.48 0.57 3.32 -0.99 0.29 116.42 119.26 2qa4 h ASP 45 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qa4 h ASP 45 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2qa4 h ASP 45 CO 0.00 0.00 -0.38 -0.62 -1.72 0.00 0.00 179.24 176.52 2qa4 n GLU 46 N -3.33 0.22 -0.88 3.56 1.02 -1.05 -4.95 120.64 115.23 2qa4 n GLU 46 Ca -0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2qa4 n GLU 46 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2qa4 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qa4 n GLY 47 N 1.45 0.56 0.12 0.62 0.00 0.10 -4.90 105.19 103.14 2qa4 n GLY 47 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2qa4 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 h ALA 48 N 0.00 0.82 -3.83 4.61 0.00 -1.36 -3.42 119.26 116.08 2qa4 h ALA 48 Ca 0.00 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 53.59 2qa4 h ALA 48 Cb 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 17.39 2qa4 h ALA 48 CO 0.00 0.88 -0.83 0.42 0.00 0.00 0.00 179.25 179.71 2qa4 s ILE 49 N -3.38 2.50 0.02 0.00 1.01 -1.00 -1.47 121.20 118.88 2qa4 s ILE 49 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 2qa4 s ILE 49 Cb 0.12 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2qa4 s ILE 49 CO 0.77 0.56 0.28 -1.10 0.00 0.00 0.00 174.94 175.46 2qa4 s GLN 50 N -0.15 0.72 -0.46 2.79 -0.21 -0.83 -4.58 119.66 116.95 2qa4 s GLN 50 Ca -0.03 -0.41 -0.12 0.00 0.02 0.00 0.00 55.36 54.82 2qa4 s GLN 50 Cb -0.14 0.31 0.09 0.00 1.00 0.00 0.00 33.01 34.28 2qa4 s GLN 50 CO 0.04 -0.22 0.35 0.00 -2.12 0.00 0.00 175.29 173.34 2qa4 s ALA 51 N -2.06 3.43 0.50 6.09 0.00 -1.26 0.22 121.76 128.68 2qa4 s ALA 51 Ca -0.09 -2.28 -0.21 0.00 0.00 0.00 0.00 51.96 49.38 2qa4 s ALA 51 Cb -0.03 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 2qa4 s ALA 51 CO -0.00 -1.78 0.78 1.63 0.00 0.00 0.00 175.76 176.38 2qa4 n LYS 52 N 5.03 0.87 -2.70 0.00 5.02 -0.30 -4.92 118.16 121.17 2qa4 n LYS 52 Ca -0.11 0.32 -0.35 0.00 -2.02 0.00 0.00 58.31 56.15 2qa4 n LYS 52 Cb 0.42 -1.87 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 2qa4 n LYS 52 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qa4 s ASP 53 N -1.00 6.95 0.41 4.39 1.01 -1.26 -4.89 116.67 122.28 2qa4 s ASP 53 Ca 0.67 1.86 -0.12 0.00 0.71 0.00 0.00 52.55 55.68 2qa4 s ASP 53 Cb -0.51 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 40.79 2qa4 s ASP 53 CO 0.54 -0.35 0.79 -1.59 0.21 0.00 0.00 175.17 174.78 2qa4 s LYS 54 N -2.64 3.82 0.56 8.23 -2.85 -1.26 -5.09 119.74 120.51 2qa4 s LYS 54 Ca 0.58 0.55 0.08 0.00 -1.00 0.00 0.00 55.97 56.17 2qa4 s LYS 54 Cb -0.16 -2.36 0.06 0.00 -2.06 0.00 0.00 37.83 33.31 2qa4 s LYS 54 CO 0.21 -0.05 0.61 -1.59 0.10 0.00 0.00 175.35 174.63 2qa4 s LYS 55 N -3.81 2.30 0.07 1.78 -2.85 -1.26 -5.15 119.74 110.82 2qa4 s LYS 55 Ca 0.52 -1.80 -0.15 0.00 -1.00 0.00 0.00 55.97 53.54 2qa4 s LYS 55 Cb -0.10 -2.40 0.02 0.00 -2.06 0.00 0.00 37.83 33.29 2qa4 s LYS 55 CO 0.30 -0.73 0.34 0.20 0.10 0.00 0.00 175.35 175.56 2qa4 s GLY 56 N -4.48 -0.17 0.28 0.59 0.00 -1.26 -5.14 107.32 97.14 2qa4 s GLY 56 Ca 0.49 -0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 2qa4 s GLY 56 CO 0.31 -0.25 1.24 -1.31 0.00 0.00 0.00 173.10 173.09 2qa4 s ASN 57 N -2.33 6.96 -0.70 1.64 0.01 -1.26 -4.94 114.94 114.33 2qa4 s ASN 57 Ca -0.02 2.47 -0.27 0.00 -0.71 0.00 0.00 52.86 54.33 2qa4 s ASN 57 Cb 0.01 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.06 2qa4 s ASN 57 CO -0.06 -0.41 1.28 -0.44 -1.51 0.00 0.00 177.10 175.96 2qa4 s SER 58 N -0.36 6.20 0.00 -1.22 0.01 -1.26 -4.83 113.70 112.24 2qa4 s SER 58 Ca 0.50 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2qa4 s SER 58 Cb -0.36 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2qa4 s SER 58 CO 0.45 -1.77 0.44 0.54 0.41 0.00 0.00 173.24 173.31 2qa4 n ARG 59 N 9.15 0.89 0.23 12.44 1.74 -1.26 -4.16 116.66 135.70 2qa4 n ARG 59 Ca 0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 2qa4 n ARG 59 Cb 0.49 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 2qa4 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2qa4 h GLY 60 N 4.55 -0.64 0.97 -0.13 0.00 -1.99 -0.87 103.07 104.96 2qa4 h GLY 60 Ca 0.00 0.24 0.14 0.00 0.00 0.00 0.00 47.33 47.70 2qa4 h GLY 60 CO 0.00 -0.23 0.38 3.21 0.00 0.00 0.00 176.54 179.90 2qa4 h ARG 61 N -0.75 0.11 -0.39 4.80 3.08 -2.01 0.33 114.38 119.55 2qa4 h ARG 61 Ca -0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 2qa4 h ARG 61 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2qa4 h ARG 61 CO 0.10 0.07 -0.23 0.00 -1.07 0.00 0.00 179.97 178.85 2qa4 h ALA 62 N 1.73 0.86 -0.32 0.04 0.00 -1.78 -2.18 119.26 117.62 2qa4 h ALA 62 Ca 0.26 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2qa4 h ALA 62 Cb 0.88 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2qa4 h ALA 62 CO -0.03 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.39 2qa4 h ARG 63 N 0.68 0.88 0.56 0.00 3.08 0.11 0.22 114.38 119.92 2qa4 h ARG 63 Ca 0.09 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 2qa4 h ARG 63 Cb 0.74 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2qa4 h ARG 63 CO 0.06 1.16 -0.45 0.93 -1.07 0.00 0.00 179.97 180.60 2qa4 h GLU 64 N 0.68 -0.94 -0.50 0.04 5.08 -1.08 -2.35 114.58 115.51 2qa4 h GLU 64 Ca 0.03 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2qa4 h GLU 64 Cb 1.07 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 2qa4 h GLU 64 CO 0.11 -0.63 0.12 -0.09 -1.00 0.00 0.00 179.01 177.52 2qa4 h ARG 65 N -0.98 0.26 -0.92 2.33 2.43 -1.41 -2.21 114.38 113.88 2qa4 h ARG 65 Ca -0.07 -0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.29 2qa4 h ARG 65 Cb 0.82 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 2qa4 h ARG 65 CO 0.00 0.17 0.61 1.96 -1.51 0.00 0.00 179.97 181.20 2qa4 h GLN 66 N 0.27 0.38 -0.04 0.20 4.20 -0.31 -1.96 115.11 117.85 2qa4 h GLN 66 Ca 0.25 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 2qa4 h GLN 66 Cb 0.32 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2qa4 h GLN 66 CO -0.31 0.25 -0.21 0.87 -0.67 0.00 0.00 178.83 178.77 2qa4 h LYS 67 N 0.39 0.21 -0.73 1.46 1.57 -0.86 -2.97 116.57 115.64 2qa4 h LYS 67 Ca 0.48 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 2qa4 h LYS 67 Cb 1.23 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 2qa4 h LYS 67 CO -0.18 0.83 0.48 0.87 -0.57 0.00 0.00 179.45 180.88 2qa4 h LYS 68 N -0.35 0.78 0.00 3.15 1.57 -1.27 -2.08 116.57 118.37 2qa4 h LYS 68 Ca -0.01 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2qa4 h LYS 68 Cb 0.87 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2qa4 h LYS 68 CO 0.04 0.51 -0.42 0.00 -0.57 0.00 0.00 179.45 179.02 2qa4 h ARG 69 N 0.80 0.00 -0.00 3.15 3.08 -1.44 -0.13 114.38 119.83 2qa4 h ARG 69 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2qa4 h ARG 69 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qa4 h ARG 69 CO -0.10 0.42 -0.11 0.00 -1.07 0.00 0.00 179.97 179.10 2qa4 n ALA 70 N -2.25 2.66 0.97 0.04 0.00 -0.83 -3.01 120.51 118.10 2qa4 n ALA 70 Ca 0.01 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2qa4 n ALA 70 Cb 0.61 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 2qa4 n ALA 70 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qa4 n TYR 71 N -1.35 0.00 -0.24 0.00 9.36 -0.94 -4.98 117.16 119.02 2qa4 n TYR 71 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 2qa4 n TYR 71 Cb 0.31 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 2qa4 n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qa4 n GLY 72 N 1.41 0.73 3.98 2.98 0.00 -1.06 -5.07 105.19 108.16 2qa4 n GLY 72 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2qa4 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qa4 s HIS 73 N -2.27 3.13 -1.78 1.61 3.76 -0.10 -4.49 115.29 115.14 2qa4 s HIS 73 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2qa4 s HIS 73 Cb 0.00 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.52 2qa4 s HIS 73 CO 0.00 -0.21 0.00 1.04 -0.85 0.00 0.00 174.74 174.72 2qa4 n GLN 74 N -1.85 -1.45 -1.74 1.40 6.02 -1.26 -3.85 117.38 114.64 2qa4 n GLN 74 Ca 0.01 1.03 -0.19 0.00 -0.01 0.00 0.00 57.00 57.84 2qa4 n GLN 74 Cb 0.58 -5.36 0.06 0.00 1.02 0.00 0.00 30.24 26.54 2qa4 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qa4 n LYS 75 N -1.95 3.22 -1.56 -1.09 5.02 -1.26 -4.86 118.16 115.68 2qa4 n LYS 75 Ca -0.17 -3.99 -0.29 0.00 -2.02 0.00 0.00 58.31 51.84 2qa4 n LYS 75 Cb 0.59 -2.16 0.13 0.00 -0.02 0.00 0.00 35.03 33.57 2qa4 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qa4 s GLY 76 N -3.49 1.58 0.56 0.72 0.00 -1.26 -4.84 107.32 100.59 2qa4 s GLY 76 Ca 0.49 -0.47 0.33 0.00 0.00 0.00 0.00 44.72 45.06 2qa4 s GLY 76 CO 0.02 0.06 1.82 0.00 0.00 0.00 0.00 173.10 174.99 2qa4 h ALA 77 N -1.40 2.80 -0.48 3.20 0.00 -1.97 0.30 119.26 121.70 2qa4 h ALA 77 Ca -0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2qa4 h ALA 77 Cb 1.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2qa4 h ALA 77 CO 0.62 -1.20 0.03 0.41 0.00 0.00 0.00 179.25 179.11 2qa4 n GLY 78 N -1.68 2.76 0.00 0.00 0.00 -1.26 -3.74 105.19 101.27 2qa4 n GLY 78 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2qa4 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qa4 n SER 79 N 0.44 0.61 -4.89 1.61 7.64 0.10 -5.04 113.62 114.09 2qa4 n SER 79 Ca 0.24 -0.94 -0.35 0.00 1.01 0.00 0.00 58.87 58.83 2qa4 n SER 79 Cb 1.04 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 64.24 2qa4 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2qa4 s ARG 80 N -0.06 3.53 0.00 1.43 0.52 -1.18 -4.89 118.95 118.30 2qa4 s ARG 80 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2qa4 s ARG 80 Cb 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2qa4 s ARG 80 CO 0.00 0.68 0.00 1.17 0.02 0.00 0.00 175.30 177.17 2qa4 n LYS 81 N 1.29 0.00 -2.13 3.54 3.00 -1.26 -5.04 118.16 117.56 2qa4 n LYS 81 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.90 2qa4 n LYS 81 Cb 0.53 -0.78 0.05 0.00 0.00 0.00 0.00 35.03 34.84 2qa4 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qa4 s GLY 82 N -3.60 1.63 1.25 3.14 0.00 -1.26 -5.06 107.32 103.41 2qa4 s GLY 82 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 2qa4 s GLY 82 CO 0.00 -0.26 0.87 1.17 0.00 0.00 0.00 173.10 174.88 2qa4 n LYS 83 N -2.88 -3.98 0.13 2.90 3.00 -1.26 -4.81 118.16 111.26 2qa4 n LYS 83 Ca 0.06 -1.43 -0.07 0.00 -0.00 0.00 0.00 58.31 56.87 2qa4 n LYS 83 Cb 0.58 -1.63 -0.04 0.00 0.00 0.00 0.00 35.03 33.95 2qa4 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qa4 h ALA 84 N -3.18 -0.41 0.00 3.14 0.00 -1.97 -3.04 119.26 113.81 2qa4 h ALA 84 Ca -0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qa4 h ALA 84 Cb 1.18 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2qa4 h ALA 84 CO 0.23 -0.39 0.09 0.41 0.00 0.00 0.00 179.25 179.58 2qa4 n GLY 85 N 0.65 -0.24 0.10 0.00 0.00 -1.26 -0.35 105.19 104.09 2qa4 n GLY 85 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2qa4 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 h ALA 86 N 1.47 0.22 -0.28 4.61 0.00 -1.90 -3.29 119.26 120.10 2qa4 h ALA 86 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 54.91 53.73 2qa4 h ALA 86 Cb 0.17 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qa4 h ALA 86 CO 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 2qa4 h ARG 87 N -0.85 0.51 -3.24 0.00 3.08 -0.57 -3.40 114.38 109.91 2qa4 h ARG 87 Ca -0.29 -0.17 -0.44 0.00 0.07 0.00 0.00 59.98 59.14 2qa4 h ARG 87 Cb 1.36 -0.04 -0.40 0.00 0.08 0.00 0.00 29.97 30.96 2qa4 h ARG 87 CO -0.13 0.67 -0.75 -1.14 -1.07 0.00 0.00 179.97 177.55 2qa4 s GLN 88 N -4.63 0.15 -0.19 0.04 0.74 -0.82 -5.11 119.66 109.84 2qa4 s GLN 88 Ca -0.07 -0.00 -0.29 0.00 0.05 0.00 0.00 55.36 55.05 2qa4 s GLN 88 Cb 0.14 -1.48 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 2qa4 s GLN 88 CO 0.79 -0.55 1.84 1.21 -0.55 0.00 0.00 175.29 178.02 2qa4 s ASN 89 N 2.09 6.12 0.20 6.67 3.84 -1.24 -4.28 114.94 128.35 2qa4 s ASN 89 Ca 0.03 1.82 -0.15 0.00 0.21 0.00 0.00 52.86 54.77 2qa4 s ASN 89 Cb -0.15 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.23 2qa4 s ASN 89 CO -0.07 -1.44 1.63 0.77 -2.79 0.00 0.00 177.10 175.19 2qa4 h SER 90 N 11.97 -0.63 0.45 -4.21 4.64 -1.95 -2.47 113.55 121.36 2qa4 h SER 90 Ca -0.38 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2qa4 h SER 90 Cb 1.19 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2qa4 h SER 90 CO 0.99 -0.21 -0.22 0.50 -0.87 0.00 0.00 176.83 177.01 2qa4 h LYS 91 N -0.02 -0.59 -0.82 4.77 3.11 -1.97 -2.39 116.57 118.66 2qa4 h LYS 91 Ca 0.28 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.34 2qa4 h LYS 91 Cb 0.46 0.13 -0.15 0.00 -1.00 0.00 0.00 32.23 31.67 2qa4 h LYS 91 CO -0.63 -0.38 -0.12 0.93 -2.81 0.00 0.00 179.45 176.44 2qa4 h GLU 92 N -0.62 0.03 -0.35 1.90 5.08 -1.87 0.15 114.58 118.89 2qa4 h GLU 92 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2qa4 h GLU 92 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2qa4 h GLU 92 CO 0.10 0.02 0.20 0.22 -1.00 0.00 0.00 179.01 178.55 2qa4 h ASP 93 N 0.03 0.43 -0.22 1.42 3.58 -1.35 -0.98 116.42 119.33 2qa4 h ASP 93 Ca 0.42 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.84 2qa4 h ASP 93 Cb 0.70 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 2qa4 h ASP 93 CO -0.80 0.38 -0.13 -0.25 -2.88 0.00 0.00 179.24 175.57 2qa4 h TRP 94 N 0.45 -0.31 -0.94 0.28 2.91 -0.23 0.13 115.95 118.23 2qa4 h TRP 94 Ca 0.12 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.25 2qa4 h TRP 94 Cb 0.04 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.80 2qa4 h TRP 94 CO -0.03 -0.19 0.61 0.93 -1.03 0.00 0.00 178.44 178.72 2qa4 h GLU 95 N -0.11 1.00 0.96 2.65 5.08 -1.03 0.40 114.58 123.53 2qa4 h GLU 95 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2qa4 h GLU 95 Cb 0.29 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2qa4 h GLU 95 CO -0.29 0.66 -0.47 1.03 -1.00 0.00 0.00 179.01 178.95 2qa4 h SER 96 N 1.03 -1.11 0.42 1.42 0.87 0.32 -1.50 113.55 115.01 2qa4 h SER 96 Ca 0.42 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 2qa4 h SER 96 Cb 0.26 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2qa4 h SER 96 CO -0.17 -0.79 -0.36 0.03 -0.53 0.00 0.00 176.83 175.01 2qa4 h ARG 97 N -1.30 -0.76 -0.72 2.24 3.08 -0.35 -2.16 114.38 114.42 2qa4 h ARG 97 Ca -0.13 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.08 2qa4 h ARG 97 Cb 1.00 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2qa4 h ARG 97 CO 0.22 -0.51 0.48 0.97 -1.07 0.00 0.00 179.97 180.05 2qa4 h ILE 98 N -0.79 0.89 -0.16 2.04 -0.00 -0.27 -0.72 117.51 118.49 2qa4 h ILE 98 Ca -0.04 -0.19 -0.21 0.00 -0.00 0.00 0.00 64.86 64.43 2qa4 h ILE 98 Cb 0.69 0.30 0.00 0.00 -0.00 0.00 0.00 36.82 37.81 2qa4 h ILE 98 CO -0.03 0.10 -0.72 0.03 -0.00 0.00 0.00 178.15 177.54 2qa4 h ARG 99 N 0.55 0.71 0.34 2.19 3.08 -1.06 -2.08 114.38 118.11 2qa4 h ARG 99 Ca 0.34 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2qa4 h ARG 99 Cb 0.57 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2qa4 h ARG 99 CO -0.12 1.17 -0.22 0.00 -1.07 0.00 0.00 179.97 179.73 2qa4 h ALA 100 N 0.69 -0.54 0.00 0.04 0.00 -0.53 0.26 119.26 119.18 2qa4 h ALA 100 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qa4 h ALA 100 Cb 1.32 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2qa4 h ALA 100 CO 0.14 -0.82 -0.10 1.96 0.00 0.00 0.00 179.25 180.43 2qa4 h GLN 101 N -0.55 0.00 0.00 0.00 4.20 -1.24 -0.49 115.11 117.03 2qa4 h GLN 101 Ca -0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 2qa4 h GLN 101 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2qa4 h GLN 101 CO 0.02 0.10 -0.63 0.00 -0.67 0.00 0.00 178.83 177.66 2qa4 h ARG 102 N 0.00 0.00 0.05 1.46 3.08 -0.59 -2.78 114.38 115.60 2qa4 h ARG 102 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2qa4 h ARG 102 Cb 0.22 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.30 2qa4 h ARG 102 CO 0.01 0.63 -1.04 1.15 -1.07 0.00 0.00 179.97 179.65 2qa4 h THR 103 N 0.00 1.31 0.66 2.04 2.02 0.46 -2.92 112.91 116.48 2qa4 h THR 103 Ca -0.01 -2.31 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 2qa4 h THR 103 Cb 1.48 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 70.45 2qa4 h THR 103 CO 0.08 0.70 -0.47 0.50 0.37 0.00 0.00 175.52 176.71 2qa4 h LYS 104 N 0.23 -1.04 -0.67 6.66 1.63 -1.15 -2.02 116.57 120.21 2qa4 h LYS 104 Ca -0.15 0.07 0.15 0.00 -0.85 0.00 0.00 60.65 59.87 2qa4 h LYS 104 Cb 1.72 0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 33.54 2qa4 h LYS 104 CO 0.20 -0.69 0.46 -0.07 -3.45 0.00 0.00 179.45 175.90 2qa4 h LEU 105 N -1.08 0.26 0.33 5.20 3.38 -1.61 -2.35 115.31 119.44 2qa4 h LEU 105 Ca -0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qa4 h LEU 105 Cb 0.89 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2qa4 h LEU 105 CO 0.05 0.14 -0.16 -0.09 0.09 0.00 0.00 178.44 178.47 2qa4 h ARG 106 N 0.28 -0.42 -0.22 1.13 2.43 -1.18 -2.23 114.38 114.16 2qa4 h ARG 106 Ca 0.33 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 2qa4 h ARG 106 Cb 0.88 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 2qa4 h ARG 106 CO -0.08 -0.20 -0.09 0.93 -1.51 0.00 0.00 179.97 179.02 2qa4 h GLU 107 N -0.57 -0.06 -0.02 0.20 5.08 -0.86 -2.00 114.58 116.35 2qa4 h GLU 107 Ca -0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2qa4 h GLU 107 Cb 0.42 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2qa4 h GLU 107 CO 0.07 -0.04 0.02 -0.07 -1.00 0.00 0.00 179.01 177.99 2qa4 h LEU 108 N -0.06 0.00 0.28 1.33 3.38 -1.49 -0.80 115.31 117.95 2qa4 h LEU 108 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2qa4 h LEU 108 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qa4 h LEU 108 CO -0.26 0.00 -0.13 -0.09 0.09 0.00 0.00 178.44 178.04 2qa4 h ARG 109 N 0.00 -0.36 0.00 1.13 2.43 -0.72 -2.10 114.38 114.76 2qa4 h ARG 109 Ca 0.01 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2qa4 h ARG 109 Cb 0.04 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2qa4 h ARG 109 CO -0.00 -0.06 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.57 2qa4 h ASP 110 N -0.67 0.00 0.33 -3.80 3.32 -1.40 -2.21 116.42 111.99 2qa4 h ASP 110 Ca -0.04 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2qa4 h ASP 110 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2qa4 h ASP 110 CO 0.06 0.38 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.55 2qa4 h GLU 111 N 0.00 0.02 0.00 3.56 4.81 -1.12 -3.47 114.58 118.38 2qa4 h GLU 111 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qa4 h GLU 111 Cb 0.76 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2qa4 h GLU 111 CO 0.05 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.10 2qa4 n GLY 112 N -0.54 2.62 0.40 1.92 0.00 -0.83 -4.96 105.19 103.80 2qa4 n GLY 112 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.22 2qa4 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qa4 h THR 113 N 0.00 0.70 -3.95 2.61 2.02 -1.63 -3.40 112.91 109.26 2qa4 h THR 113 Ca 0.00 -0.01 -0.62 0.00 0.77 0.00 0.00 66.41 66.55 2qa4 h THR 113 Cb 0.00 0.67 -0.31 0.00 -1.74 0.00 0.00 68.15 66.77 2qa4 h THR 113 CO 0.00 0.00 -0.86 -0.76 0.37 0.00 0.00 175.52 174.27 2qa4 s LEU 114 N -8.74 1.99 0.64 2.58 1.43 -1.00 -5.01 118.68 110.57 2qa4 s LEU 114 Ca -0.05 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2qa4 s LEU 114 Cb 0.20 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 45.26 2qa4 s LEU 114 CO 0.74 0.20 1.00 -0.94 0.23 0.00 0.00 176.35 177.58 2qa4 s SER 115 N -0.05 5.73 0.00 2.29 1.04 -1.26 -4.53 113.70 116.91 2qa4 s SER 115 Ca -0.04 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2qa4 s SER 115 Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2qa4 s SER 115 CO 0.03 -1.10 0.39 -1.54 0.98 0.00 0.00 173.24 172.01 2qa4 n SER 116 N -2.77 0.28 0.00 7.02 3.41 -1.26 -1.26 113.62 119.03 2qa4 n SER 116 Ca 0.05 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2qa4 n SER 116 Cb 0.56 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qa4 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qa4 n SER 117 N -0.12 4.20 -0.03 4.04 3.41 -1.26 -4.35 113.62 119.51 2qa4 n SER 117 Ca 0.00 -0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 2qa4 n SER 117 Cb 0.07 0.86 -0.13 0.00 -0.26 0.00 0.00 64.21 64.75 2qa4 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2qa4 h GLN 118 N 0.00 0.18 -0.76 4.33 4.20 -1.54 -3.24 115.11 118.28 2qa4 h GLN 118 Ca 0.00 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.45 2qa4 h GLN 118 Cb 0.00 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2qa4 h GLN 118 CO 0.00 1.15 0.47 -0.92 -0.67 0.00 0.00 178.83 178.86 2qa4 h TYR 119 N -0.32 0.87 0.42 2.96 3.20 -1.49 -2.14 116.97 120.48 2qa4 h TYR 119 Ca -0.39 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 2qa4 h TYR 119 Cb 1.77 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.76 2qa4 h TYR 119 CO 0.09 0.47 -0.20 -0.09 -1.64 0.00 0.00 178.16 176.79 2qa4 h ARG 120 N 0.89 -0.55 -0.98 1.82 9.65 -1.76 0.16 114.38 123.61 2qa4 h ARG 120 Ca 0.32 0.04 0.23 0.00 -1.10 0.00 0.00 59.98 59.46 2qa4 h ARG 120 Cb 0.08 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.70 2qa4 h ARG 120 CO -0.14 -0.31 0.63 0.22 2.80 0.00 0.00 179.97 183.18 2qa4 h ASP 121 N -0.68 0.50 0.22 -3.80 1.82 -1.53 -1.65 116.42 111.30 2qa4 h ASP 121 Ca -0.06 0.07 -0.34 0.00 -0.39 0.00 0.00 57.03 56.31 2qa4 h ASP 121 Cb 0.49 -0.02 0.02 0.00 0.68 0.00 0.00 39.33 40.51 2qa4 h ASP 121 CO 0.10 0.15 -1.59 -0.07 -1.61 0.00 0.00 179.24 176.22 2qa4 h LEU 122 N 0.47 0.73 -0.05 2.28 3.38 -1.07 -3.16 115.31 117.90 2qa4 h LEU 122 Ca 0.55 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2qa4 h LEU 122 Cb 1.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2qa4 h LEU 122 CO -0.27 1.74 -0.05 0.22 0.09 0.00 0.00 178.44 180.18 2qa4 h TYR 123 N 0.10 -0.11 -0.40 1.13 3.20 0.07 0.42 116.97 121.38 2qa4 h TYR 123 Ca -0.30 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 2qa4 h TYR 123 Cb 2.12 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 40.43 2qa4 h TYR 123 CO 0.12 -0.08 0.20 -0.44 -1.64 0.00 0.00 178.16 176.32 2qa4 h ASP 124 N -0.06 0.49 -0.09 -2.11 5.19 -1.48 0.12 116.42 118.48 2qa4 h ASP 124 Ca 0.04 -0.04 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 2qa4 h ASP 124 Cb 0.11 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.51 2qa4 h ASP 124 CO -0.09 0.42 -0.79 0.11 -3.12 0.00 0.00 179.24 175.77 2qa4 h LYS 125 N 0.56 0.75 0.57 3.56 1.57 -1.40 -2.68 116.57 119.49 2qa4 h LYS 125 Ca 0.14 -0.62 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 2qa4 h LYS 125 Cb 0.05 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2qa4 h LYS 125 CO -0.02 1.23 -0.27 0.00 -0.57 0.00 0.00 179.45 179.81 2qa4 h ALA 126 N 0.59 -0.77 0.00 3.86 0.00 0.65 -1.09 119.26 122.51 2qa4 h ALA 126 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qa4 h ALA 126 Cb 1.42 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2qa4 h ALA 126 CO 0.16 -0.91 0.09 0.41 0.00 0.00 0.00 179.25 178.99 2qa4 n GLY 127 N -1.33 -0.73 0.86 0.00 0.00 0.34 0.10 105.19 104.44 2qa4 n GLY 127 Ca -0.13 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2qa4 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 128 N -1.31 0.94 1.81 -0.02 0.00 -0.44 -4.97 105.19 101.20 2qa4 n GLY 128 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 2qa4 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 129 N 1.33 0.65 0.03 -0.02 0.00 0.12 -4.98 105.19 102.31 2qa4 n GLY 129 Ca 0.17 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2qa4 n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qa4 n GLU 130 N -1.32 0.25 -4.05 1.61 -0.58 -1.05 -4.85 120.64 110.65 2qa4 n GLU 130 Ca -0.01 0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 2qa4 n GLU 130 Cb 0.51 -1.60 -0.16 0.00 -0.57 0.00 0.00 31.44 29.63 2qa4 n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2qa4 s PHE 131 N -3.16 2.78 0.22 -0.32 0.40 -1.26 -5.00 117.98 111.63 2qa4 s PHE 131 Ca 0.05 -1.85 -0.08 0.00 -0.60 0.00 0.00 56.93 54.45 2qa4 s PHE 131 Cb 0.15 -1.80 0.30 0.00 0.51 0.00 0.00 43.02 42.18 2qa4 s PHE 131 CO 0.77 -0.80 1.76 -0.44 0.70 0.00 0.00 175.22 177.21 2qa4 h ASP 132 N 7.90 0.34 -1.01 1.36 3.32 -1.91 -3.46 116.42 122.96 2qa4 h ASP 132 Ca -0.29 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2qa4 h ASP 132 Cb 1.09 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2qa4 h ASP 132 CO 0.51 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 176.68 2qa4 n SER 133 N -4.93 0.00 0.09 6.45 3.41 -1.26 -5.04 113.62 112.34 2qa4 n SER 133 Ca 0.10 -0.57 -0.20 0.00 -0.26 0.00 0.00 58.87 57.94 2qa4 n SER 133 Cb 0.27 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 2qa4 n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qa4 h VAL 134 N 0.57 1.17 -0.85 -3.33 2.07 -1.91 -3.28 116.25 110.69 2qa4 h VAL 134 Ca 0.00 -2.74 0.03 0.00 0.82 0.00 0.00 66.70 64.81 2qa4 h VAL 134 Cb 0.00 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 2qa4 h VAL 134 CO 0.00 0.84 0.55 0.00 0.02 0.00 0.00 177.57 178.97 2qa4 h ALA 135 N 0.35 1.12 0.00 1.67 0.00 -1.99 -0.04 119.26 120.37 2qa4 h ALA 135 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qa4 h ALA 135 Cb 2.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2qa4 h ALA 135 CO 0.19 0.38 0.00 0.22 0.00 0.00 0.00 179.25 180.04 2qa4 h ASP 136 N 1.06 0.00 0.31 0.00 3.58 -1.97 -1.83 116.42 117.58 2qa4 h ASP 136 Ca 0.34 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 2qa4 h ASP 136 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2qa4 h ASP 136 CO -0.12 0.00 -0.15 0.25 -2.88 0.00 0.00 179.24 176.34 2qa4 h LEU 137 N 0.00 -0.35 -0.98 2.28 5.85 -1.06 -2.87 115.31 118.18 2qa4 h LEU 137 Ca 0.00 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2qa4 h LEU 137 Cb 0.33 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2qa4 h LEU 137 CO 0.00 0.11 0.61 -0.33 -0.34 0.00 0.00 178.44 178.49 2qa4 h GLU 138 N -1.08 0.98 -0.96 1.25 5.08 -1.36 0.27 114.58 118.76 2qa4 h GLU 138 Ca -0.04 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2qa4 h GLU 138 Cb 0.39 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2qa4 h GLU 138 CO 0.07 0.65 0.61 0.00 -1.00 0.00 0.00 179.01 179.34 2qa4 h ARG 139 N 1.01 0.85 0.00 2.33 3.08 -1.38 0.55 114.38 120.82 2qa4 h ARG 139 Ca 0.47 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.31 2qa4 h ARG 139 Cb 0.40 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2qa4 h ARG 139 CO -0.24 0.56 -1.05 -0.92 -1.07 0.00 0.00 179.97 177.25 2qa4 h TYR 140 N 0.87 0.00 -0.74 3.04 3.20 -0.78 -3.34 116.97 119.22 2qa4 h TYR 140 Ca 0.49 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 2qa4 h TYR 140 Cb 0.60 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 2qa4 h TYR 140 CO -0.00 0.64 0.39 0.82 -1.64 0.00 0.00 178.16 178.37 2qa4 h ILE 141 N 0.00 1.22 0.00 1.81 2.04 0.17 -3.18 117.51 119.58 2qa4 h ILE 141 Ca -0.09 -0.58 -0.46 0.00 1.00 0.00 0.00 64.86 64.72 2qa4 h ILE 141 Cb 1.57 0.25 0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2qa4 h ILE 141 CO 0.07 0.26 2.83 0.47 0.00 0.00 0.00 178.15 181.77 2qa4 n ASP 142 N -4.35 6.27 0.00 1.72 8.00 -0.85 -5.08 116.55 122.25 2qa4 n ASP 142 Ca 0.07 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.17 2qa4 n ASP 142 Cb 0.11 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 2qa4 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81