#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq4 s LYS 2 N 0.00 0.64 -0.00 0.54 2.20 -1.26 -0.75 119.74 121.11 1bq4 s LYS 2 Ca 0.00 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 1bq4 s LYS 2 Cb 0.00 -0.60 -0.00 0.00 -1.51 0.00 0.00 37.83 35.72 1bq4 s LYS 2 CO 0.00 0.16 0.01 -1.17 -0.36 0.00 0.00 175.35 173.99 1bq4 s LEU 3 N -0.41 1.99 -0.09 5.43 2.96 0.45 -2.27 118.68 126.75 1bq4 s LEU 3 Ca 0.01 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1bq4 s LEU 3 Cb -0.04 0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.78 1bq4 s LEU 3 CO -0.00 -0.10 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 1bq4 s VAL 4 N -0.43 0.65 0.06 1.68 1.01 -0.09 -0.69 120.40 122.58 1bq4 s VAL 4 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1bq4 s VAL 4 Cb -0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1bq4 s VAL 4 CO -0.00 0.30 0.09 -0.76 0.00 0.00 0.00 175.10 174.73 1bq4 s LEU 5 N 1.80 3.86 -0.22 3.92 1.43 -0.36 -1.08 118.68 128.04 1bq4 s LEU 5 Ca 0.04 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1bq4 s LEU 5 Cb -0.12 -2.46 0.11 0.00 0.03 0.00 0.00 46.19 43.74 1bq4 s LEU 5 CO -0.06 0.20 0.37 -0.69 0.23 0.00 0.00 176.35 176.39 1bq4 s VAL 6 N -1.35 -0.58 0.00 -1.59 1.01 -0.60 -0.96 120.40 116.34 1bq4 s VAL 6 Ca 0.28 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1bq4 s VAL 6 Cb -0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1bq4 s VAL 6 CO 0.20 -0.05 0.62 -0.60 0.00 0.00 0.00 175.10 175.27 1bq4 s ARG 7 N 2.54 4.34 1.23 2.72 3.52 -1.26 -2.79 118.95 129.25 1bq4 s ARG 7 Ca 0.08 0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 1bq4 s ARG 7 Cb -0.14 -3.34 0.28 0.00 -1.56 0.00 0.00 34.95 30.18 1bq4 s ARG 7 CO -0.14 0.36 0.74 -2.39 -0.81 0.00 0.00 175.30 173.06 1bq4 n HIS 8 N 2.72 -1.94 -1.78 5.12 1.44 -1.21 -1.65 115.22 117.92 1bq4 n HIS 8 Ca -0.06 -0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.40 1bq4 n HIS 8 Cb 0.51 -1.57 0.00 0.00 0.12 0.00 0.00 29.99 29.05 1bq4 n HIS 8 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bq4 n GLY 9 N 1.50 2.81 3.67 -1.39 0.00 -1.26 -4.14 105.19 106.38 1bq4 n GLY 9 Ca 0.04 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1bq4 n GLY 9 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bq4 n GLN 10 N 0.00 1.62 -4.34 1.61 7.27 -1.26 -4.84 117.38 117.43 1bq4 n GLN 10 Ca 0.00 0.58 -0.25 0.00 0.07 0.00 0.00 57.00 57.40 1bq4 n GLN 10 Cb 0.00 -2.26 -0.09 0.00 2.41 0.00 0.00 30.24 30.30 1bq4 n GLN 10 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1bq4 s SER 11 N -0.70 4.18 0.20 1.69 1.04 -1.26 -1.48 113.70 117.36 1bq4 s SER 11 Ca 0.64 -1.01 -0.18 0.00 0.48 0.00 0.00 55.95 55.87 1bq4 s SER 11 Cb -0.51 -0.52 0.16 0.00 0.10 0.00 0.00 66.02 65.25 1bq4 s SER 11 CO 0.56 -0.26 1.60 -0.33 0.98 0.00 0.00 173.24 175.78 1bq4 h GLU 12 N 1.79 -0.12 0.00 4.02 5.08 -1.33 0.20 114.58 124.22 1bq4 h GLU 12 Ca -0.43 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1bq4 h GLU 12 Cb 1.25 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1bq4 h GLU 12 CO 0.68 -0.08 -0.06 -1.49 -1.00 0.00 0.00 179.01 177.06 1bq4 h TRP 13 N -0.12 0.00 0.00 4.33 4.06 -1.91 -2.94 115.95 119.37 1bq4 h TRP 13 Ca 0.26 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.16 1bq4 h TRP 13 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1bq4 h TRP 13 CO -0.60 0.06 -0.22 -0.97 -3.56 0.00 0.00 178.44 173.14 1bq4 h ASN 14 N 0.00 0.00 0.32 -3.49 -0.73 -0.84 -0.55 115.58 110.28 1bq4 h ASN 14 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1bq4 h ASN 14 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1bq4 h ASN 14 CO 0.01 0.22 -0.63 -1.84 -0.37 0.00 0.00 177.43 174.82 1bq4 n GLU 15 N -3.33 0.10 0.00 6.67 0.28 -1.11 -3.30 120.64 119.96 1bq4 n GLU 15 Ca 0.01 -0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.05 1bq4 n GLU 15 Cb 0.46 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.87 1bq4 n GLU 15 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bq4 n LYS 16 N -1.39 1.73 -3.17 3.44 5.02 -1.10 -4.98 118.16 117.71 1bq4 n LYS 16 Ca 0.06 -1.43 -0.15 0.00 -2.02 0.00 0.00 58.31 54.76 1bq4 n LYS 16 Cb 0.34 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1bq4 n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bq4 n ASN 17 N 0.62 -3.78 -4.41 4.39 4.05 -0.90 -4.89 115.26 110.34 1bq4 n ASN 17 Ca 0.11 -0.41 -0.31 0.00 0.45 0.00 0.00 54.58 54.42 1bq4 n ASN 17 Cb 0.53 -3.78 -0.14 0.00 1.23 0.00 0.00 39.78 37.63 1bq4 n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bq4 s LEU 18 N -5.35 2.44 0.14 1.20 1.43 -0.27 -0.23 118.68 118.04 1bq4 s LEU 18 Ca 0.24 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1bq4 s LEU 18 Cb -0.10 -1.44 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 1bq4 s LEU 18 CO 0.52 0.27 1.33 -0.36 0.23 0.00 0.00 176.35 178.35 1bq4 s PHE 19 N -0.83 3.28 -0.04 0.29 0.40 -0.78 -4.48 117.98 115.83 1bq4 s PHE 19 Ca 0.13 1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 57.53 1bq4 s PHE 19 Cb -0.10 -3.61 -0.01 0.00 0.51 0.00 0.00 43.02 39.81 1bq4 s PHE 19 CO 0.03 -2.01 -0.08 2.41 0.70 0.00 0.00 175.22 176.27 1bq4 n THR 20 N 3.46 0.36 0.00 0.64 -1.04 -1.26 -1.07 114.28 115.37 1bq4 n THR 20 Ca 0.09 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1bq4 n THR 20 Cb 0.43 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1bq4 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bq4 n GLY 21 N 1.55 3.30 0.49 3.41 0.00 -1.26 -2.82 105.19 109.85 1bq4 n GLY 21 Ca -0.03 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1bq4 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bq4 n TRP 22 N 12.35 0.00 -1.89 1.61 7.02 -1.26 -4.64 117.44 130.63 1bq4 n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1bq4 n TRP 22 Cb 0.00 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 1bq4 n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1bq4 s VAL 23 N -2.31 2.97 -1.04 -0.99 1.01 -1.13 -4.79 120.40 114.11 1bq4 s VAL 23 Ca 0.26 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 1bq4 s VAL 23 Cb 0.19 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.19 1bq4 s VAL 23 CO 0.46 -0.00 1.92 -0.67 0.00 0.00 0.00 175.10 176.81 1bq4 n ASP 24 N 5.67 2.89 -4.84 3.32 4.64 -1.26 -4.92 116.55 122.04 1bq4 n ASP 24 Ca 0.16 -2.69 -0.34 0.00 -1.38 0.00 0.00 54.79 50.54 1bq4 n ASP 24 Cb 0.40 -1.53 -0.06 0.00 -1.04 0.00 0.00 41.12 38.89 1bq4 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1bq4 s VAL 25 N 9.15 4.77 0.83 5.18 1.01 -1.26 -4.92 120.40 135.16 1bq4 s VAL 25 Ca 0.65 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1bq4 s VAL 25 Cb 0.04 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1bq4 s VAL 25 CO 0.13 0.09 1.13 -0.54 0.00 0.00 0.00 175.10 175.91 1bq4 s LYS 26 N -2.33 1.80 -0.26 2.72 1.02 -1.26 -3.59 119.74 117.84 1bq4 s LYS 26 Ca 0.44 0.39 -0.21 0.00 0.02 0.00 0.00 55.97 56.61 1bq4 s LYS 26 Cb -0.14 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 1bq4 s LYS 26 CO 0.20 -1.76 0.67 -1.17 -0.92 0.00 0.00 175.35 172.36 1bq4 s LEU 27 N -5.79 4.07 1.07 3.17 2.96 -1.26 -0.98 118.68 121.92 1bq4 s LEU 27 Ca 0.62 0.73 -0.15 0.00 -0.22 0.00 0.00 54.13 55.11 1bq4 s LEU 27 Cb -0.14 -2.91 0.13 0.00 0.50 0.00 0.00 46.19 43.77 1bq4 s LEU 27 CO 0.53 -0.41 0.39 -1.54 -1.32 0.00 0.00 176.35 174.00 1bq4 n SER 28 N 5.79 -1.97 0.16 3.68 3.41 -0.55 -4.66 113.62 119.49 1bq4 n SER 28 Ca 0.01 0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.71 1bq4 n SER 28 Cb 0.49 -1.12 0.58 0.00 -0.26 0.00 0.00 64.21 63.89 1bq4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bq4 h ALA 29 N -2.05 1.94 -0.01 7.33 0.00 -1.96 0.32 119.26 124.82 1bq4 h ALA 29 Ca -0.52 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1bq4 h ALA 29 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1bq4 h ALA 29 CO 0.40 0.05 -0.92 -0.22 0.00 0.00 0.00 179.25 178.55 1bq4 h LYS 30 N 0.17 0.41 0.00 0.00 3.64 -1.88 -3.19 116.57 115.73 1bq4 h LYS 30 Ca 0.06 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1bq4 h LYS 30 Cb 0.04 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1bq4 h LYS 30 CO -0.01 1.10 -0.14 0.78 -2.27 0.00 0.00 179.45 178.90 1bq4 h GLY 31 N 1.23 0.00 2.00 5.01 0.00 -1.02 -1.61 103.07 108.68 1bq4 h GLY 31 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 1bq4 h GLY 31 CO 0.16 0.00 -0.61 1.46 0.00 0.00 0.00 176.54 177.55 1bq4 h GLN 32 N 0.00 0.00 0.07 4.80 4.20 -1.36 -2.97 115.11 119.85 1bq4 h GLN 32 Ca -0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1bq4 h GLN 32 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1bq4 h GLN 32 CO 0.02 0.61 -0.58 1.96 -0.67 0.00 0.00 178.83 180.17 1bq4 h GLN 33 N 0.00 0.26 0.00 1.46 4.20 -1.34 -2.49 115.11 117.20 1bq4 h GLN 33 Ca -0.01 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1bq4 h GLN 33 Cb 1.33 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 1bq4 h GLN 33 CO 0.08 1.14 -0.04 0.93 -0.67 0.00 0.00 178.83 180.27 1bq4 h GLU 34 N -0.43 0.00 0.31 1.46 5.08 -1.51 -0.12 114.58 119.37 1bq4 h GLU 34 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1bq4 h GLU 34 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1bq4 h GLU 34 CO 0.11 0.04 -0.15 0.00 -1.00 0.00 0.00 179.01 178.01 1bq4 h ALA 35 N 1.96 -0.41 -0.88 3.43 0.00 -1.44 -2.32 119.26 119.60 1bq4 h ALA 35 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1bq4 h ALA 35 Cb 0.12 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1bq4 h ALA 35 CO 0.00 -0.53 0.57 0.00 0.00 0.00 0.00 179.25 179.30 1bq4 h ALA 36 N -0.31 1.54 -0.15 0.00 0.00 -0.86 -0.83 119.26 118.64 1bq4 h ALA 36 Ca -0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1bq4 h ALA 36 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bq4 h ALA 36 CO 0.07 0.33 -0.27 -0.09 0.00 0.00 0.00 179.25 179.29 1bq4 h ARG 37 N 1.00 0.27 -0.31 0.00 9.65 -0.99 0.27 114.38 124.27 1bq4 h ARG 37 Ca 0.38 -0.10 -0.12 0.00 -1.10 0.00 0.00 59.98 59.04 1bq4 h ARG 37 Cb 0.20 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1bq4 h ARG 37 CO -0.14 0.53 -0.28 0.00 2.80 0.00 0.00 179.97 182.88 1bq4 h ALA 38 N 1.48 0.46 0.44 2.80 0.00 -0.69 0.58 119.26 124.33 1bq4 h ALA 38 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1bq4 h ALA 38 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1bq4 h ALA 38 CO 0.04 0.47 -0.43 0.78 0.00 0.00 0.00 179.25 180.12 1bq4 h GLY 39 N 0.51 -1.04 0.65 0.00 0.00 -0.44 -0.14 103.07 102.60 1bq4 h GLY 39 Ca 0.05 0.49 0.14 0.00 0.00 0.00 0.00 47.33 48.02 1bq4 h GLY 39 CO 0.07 -0.34 0.53 0.83 0.00 0.00 0.00 176.54 177.63 1bq4 h GLU 40 N -0.88 0.53 0.00 4.80 5.08 -0.97 0.24 114.58 123.38 1bq4 h GLU 40 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1bq4 h GLU 40 Cb 0.78 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1bq4 h GLU 40 CO -0.06 0.35 -0.29 1.25 -1.00 0.00 0.00 179.01 179.27 1bq4 h LEU 41 N 0.55 0.00 0.03 1.33 5.85 -0.07 0.47 115.31 123.47 1bq4 h LEU 41 Ca 0.40 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1bq4 h LEU 41 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1bq4 h LEU 41 CO -0.15 0.29 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.15 1bq4 h LEU 42 N 0.00 -0.03 0.61 2.25 3.38 0.12 -1.72 115.31 119.92 1bq4 h LEU 42 Ca -0.00 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 1bq4 h LEU 42 Cb 0.94 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1bq4 h LEU 42 CO 0.04 0.70 -0.45 0.50 0.09 0.00 0.00 178.44 179.32 1bq4 h LYS 43 N -0.81 -0.98 -0.25 1.13 3.64 -1.05 -1.96 116.57 116.29 1bq4 h LYS 43 Ca -0.00 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1bq4 h LYS 43 Cb 0.71 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1bq4 h LYS 43 CO 0.01 -0.65 -0.42 1.49 -2.27 0.00 0.00 179.45 177.60 1bq4 h GLU 44 N -1.02 -0.33 -0.45 1.90 4.81 -1.03 -2.26 114.58 116.20 1bq4 h GLU 44 Ca -0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bq4 h GLU 44 Cb 0.84 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1bq4 h GLU 44 CO 0.03 -0.22 0.00 1.63 -0.73 0.00 0.00 179.01 179.72 1bq4 n LYS 45 N -4.72 0.91 -3.36 1.92 4.76 -0.65 -4.93 118.16 112.10 1bq4 n LYS 45 Ca -0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.18 1bq4 n LYS 45 Cb 0.27 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 1bq4 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bq4 n LYS 46 N -0.23 -3.16 -3.35 1.97 5.02 -0.85 -4.98 118.16 112.57 1bq4 n LYS 46 Ca 0.00 0.43 -0.38 0.00 -2.02 0.00 0.00 58.31 56.34 1bq4 n LYS 46 Cb 0.11 -5.11 -0.07 0.00 -0.02 0.00 0.00 35.03 29.94 1bq4 n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bq4 s VAL 47 N -2.89 5.20 -0.38 -0.18 1.01 -0.79 -5.05 120.40 117.32 1bq4 s VAL 47 Ca 0.39 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1bq4 s VAL 47 Cb -0.21 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1bq4 s VAL 47 CO 0.48 0.30 0.13 -0.31 0.00 0.00 0.00 175.10 175.69 1bq4 s TYR 48 N 0.91 2.91 -0.26 5.22 4.12 -1.26 -4.53 117.35 124.46 1bq4 s TYR 48 Ca 0.23 -2.66 -0.28 0.00 0.02 0.00 0.00 57.07 54.38 1bq4 s TYR 48 Cb -0.15 -2.47 -0.06 0.00 -1.52 0.00 0.00 41.96 37.76 1bq4 s TYR 48 CO 0.09 -0.87 2.25 -2.30 0.02 0.00 0.00 175.55 174.74 1bq4 n PRO 49 N 4.07 1.80 0.12 -1.71 -0.02 -1.26 -4.76 135.00 133.24 1bq4 n PRO 49 Ca 0.03 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1bq4 n PRO 49 Cb 0.39 -3.23 -0.01 0.00 -0.02 0.00 0.00 33.50 30.64 1bq4 n PRO 49 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bq4 h ASP 50 N 15.56 0.00 -5.03 2.55 3.32 -1.42 -3.46 116.42 127.94 1bq4 h ASP 50 Ca -0.38 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 1bq4 h ASP 50 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1bq4 h ASP 50 CO 0.99 0.59 -0.31 0.54 -1.72 0.00 0.00 179.24 179.33 1bq4 s VAL 51 N -2.92 0.08 0.01 -1.35 0.11 -1.12 -4.15 120.40 111.06 1bq4 s VAL 51 Ca 0.03 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.52 1bq4 s VAL 51 Cb 0.08 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1bq4 s VAL 51 CO 0.76 -0.35 -0.26 -0.22 -3.33 0.00 0.00 175.10 171.70 1bq4 s LEU 52 N -1.72 2.12 -0.12 2.54 2.96 -0.49 -1.49 118.68 122.48 1bq4 s LEU 52 Ca -0.09 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1bq4 s LEU 52 Cb -0.03 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.35 1bq4 s LEU 52 CO -0.00 0.30 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.91 1bq4 s TYR 53 N -0.69 1.76 0.34 5.38 1.51 0.19 -2.46 117.35 123.38 1bq4 s TYR 53 Ca 0.11 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1bq4 s TYR 53 Cb -0.10 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1bq4 s TYR 53 CO 0.00 -0.56 0.09 0.25 -1.11 0.00 0.00 175.55 174.22 1bq4 n THR 54 N 4.79 0.00 -2.46 -0.71 -2.24 -0.25 -0.99 114.28 112.42 1bq4 n THR 54 Ca -0.15 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1bq4 n THR 54 Cb 0.50 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1bq4 n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bq4 n SER 55 N -1.43 0.00 -0.84 3.42 3.41 -1.22 -2.94 113.62 114.02 1bq4 n SER 55 Ca -0.10 -0.53 0.07 0.00 -0.26 0.00 0.00 58.87 58.05 1bq4 n SER 55 Cb 0.42 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.57 1bq4 n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bq4 n LYS 56 N -0.53 2.88 -3.14 4.33 5.02 -1.21 -4.20 118.16 121.31 1bq4 n LYS 56 Ca 0.00 -2.25 -0.41 0.00 -2.02 0.00 0.00 58.31 53.63 1bq4 n LYS 56 Cb 0.00 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1bq4 n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bq4 s LEU 57 N -1.13 4.12 0.40 -0.35 1.43 -1.26 -4.98 118.68 116.91 1bq4 s LEU 57 Ca 0.31 0.48 0.21 0.00 -1.03 0.00 0.00 54.13 54.09 1bq4 s LEU 57 Cb 0.17 -2.78 1.17 0.00 0.03 0.00 0.00 46.19 44.77 1bq4 s LEU 57 CO 0.19 -0.42 1.74 0.28 0.23 0.00 0.00 176.35 178.37 1bq4 h SER 58 N 8.11 0.41 -0.93 2.29 0.02 -1.91 -1.33 113.55 120.21 1bq4 h SER 58 Ca -0.27 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1bq4 h SER 58 Cb 1.12 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 1bq4 h SER 58 CO 0.78 0.02 0.60 0.08 -1.14 0.00 0.00 176.83 177.18 1bq4 h ARG 59 N 0.33 0.97 -0.13 3.45 0.11 -1.90 0.91 114.38 118.12 1bq4 h ARG 59 Ca 0.64 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 60.65 1bq4 h ARG 59 Cb 1.72 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 32.58 1bq4 h ARG 59 CO -0.33 0.64 0.01 0.00 0.10 0.00 0.00 179.97 180.39 1bq4 h ALA 60 N 1.52 0.18 0.12 0.08 0.00 -1.54 -2.97 119.26 116.65 1bq4 h ALA 60 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1bq4 h ALA 60 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bq4 h ALA 60 CO -0.18 -0.15 -0.06 0.82 0.00 0.00 0.00 179.25 179.68 1bq4 h ILE 61 N -0.02 0.93 -0.57 0.00 2.04 -1.37 -2.08 117.51 116.44 1bq4 h ILE 61 Ca 0.04 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.85 1bq4 h ILE 61 Cb 0.32 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1bq4 h ILE 61 CO 0.00 0.04 0.39 -0.61 0.00 0.00 0.00 178.15 177.98 1bq4 h GLN 62 N -0.24 0.22 -0.24 2.37 4.15 -0.91 -1.67 115.11 118.78 1bq4 h GLN 62 Ca -0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1bq4 h GLN 62 Cb 0.19 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1bq4 h GLN 62 CO 0.03 0.14 0.00 1.15 -1.93 0.00 0.00 178.83 178.22 1bq4 h THR 63 N 0.22 1.25 -0.30 2.39 2.02 -1.21 -2.38 112.91 114.90 1bq4 h THR 63 Ca 0.27 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1bq4 h THR 63 Cb 0.76 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1bq4 h THR 63 CO -0.05 0.28 0.10 0.00 0.37 0.00 0.00 175.52 176.21 1bq4 h ALA 64 N 0.81 0.40 -0.23 6.16 0.00 -1.21 -0.71 119.26 124.47 1bq4 h ALA 64 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bq4 h ALA 64 Cb 0.40 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1bq4 h ALA 64 CO 0.01 0.02 -0.27 -0.91 0.00 0.00 0.00 179.25 178.10 1bq4 h ASN 65 N 0.33 -0.88 -0.27 0.00 -0.26 -1.24 0.62 115.58 113.88 1bq4 h ASN 65 Ca 0.10 0.15 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 1bq4 h ASN 65 Cb 0.23 0.40 -0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1bq4 h ASN 65 CO -0.00 -0.31 -0.35 0.40 -1.06 0.00 0.00 177.43 176.11 1bq4 h ILE 66 N -0.29 1.30 -0.12 2.81 2.04 -1.43 -2.45 117.51 119.36 1bq4 h ILE 66 Ca 0.13 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1bq4 h ILE 66 Cb 0.50 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1bq4 h ILE 66 CO -0.40 0.49 0.04 0.00 0.00 0.00 0.00 178.15 178.29 1bq4 h ALA 67 N 0.68 0.15 0.00 1.87 0.00 -0.55 -2.64 119.26 118.78 1bq4 h ALA 67 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bq4 h ALA 67 Cb 0.93 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1bq4 h ALA 67 CO 0.08 -0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 178.90 1bq4 h LEU 68 N 0.02 0.00 -0.43 0.00 3.38 0.19 -2.03 115.31 116.44 1bq4 h LEU 68 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1bq4 h LEU 68 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1bq4 h LEU 68 CO -0.00 0.11 0.04 -0.08 0.09 0.00 0.00 178.44 178.60 1bq4 h GLU 69 N 0.00 0.74 0.00 1.13 4.22 -1.09 -1.29 114.58 118.28 1bq4 h GLU 69 Ca -0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.18 1bq4 h GLU 69 Cb 0.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1bq4 h GLU 69 CO 0.01 0.78 -0.21 0.87 -2.18 0.00 0.00 179.01 178.29 1bq4 h LYS 70 N 0.59 0.00 -0.01 1.92 1.79 -1.11 -3.07 116.57 116.67 1bq4 h LYS 70 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1bq4 h LYS 70 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1bq4 h LYS 70 CO 0.01 0.21 -0.39 0.00 -1.08 0.00 0.00 179.45 178.21 1bq4 n ALA 71 N -2.16 3.37 -1.25 3.86 0.00 -0.85 -4.50 120.51 118.98 1bq4 n ALA 71 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1bq4 n ALA 71 Cb 0.57 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1bq4 n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bq4 n ASP 72 N -0.39 -4.70 -2.43 0.00 10.43 -0.55 -4.85 116.55 114.05 1bq4 n ASP 72 Ca 0.10 0.22 -0.32 0.00 2.57 0.00 0.00 54.79 57.36 1bq4 n ASP 72 Cb 0.41 -2.97 0.04 0.00 1.84 0.00 0.00 41.12 40.43 1bq4 n ASP 72 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1bq4 n ARG 73 N -1.88 3.07 0.26 -1.24 1.74 -0.81 -4.75 116.66 113.06 1bq4 n ARG 73 Ca -0.09 -3.80 0.12 0.00 -0.77 0.00 0.00 57.85 53.32 1bq4 n ARG 73 Cb 0.40 -2.27 0.73 0.00 -1.02 0.00 0.00 32.46 30.30 1bq4 n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1bq4 h LEU 74 N 2.41 0.00 -0.01 0.55 3.38 -1.90 -3.12 115.31 116.62 1bq4 h LEU 74 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1bq4 h LEU 74 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1bq4 h LEU 74 CO 1.21 0.10 -0.00 -2.67 0.09 0.00 0.00 178.44 177.17 1bq4 n TRP 75 N -3.77 0.00 -1.77 1.13 4.27 -1.26 -4.96 117.44 111.08 1bq4 n TRP 75 Ca -0.02 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.27 1bq4 n TRP 75 Cb 0.21 -0.17 0.04 0.00 -1.36 0.00 0.00 31.31 30.03 1bq4 n TRP 75 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 1bq4 s ILE 76 N -2.34 3.59 0.51 -1.67 -4.36 -1.18 -5.00 121.20 110.75 1bq4 s ILE 76 Ca 0.36 0.68 -0.22 0.00 -0.26 0.00 0.00 60.65 61.21 1bq4 s ILE 76 Cb 0.21 -3.23 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 1bq4 s ILE 76 CO 0.43 -0.52 1.25 -2.65 0.24 0.00 0.00 174.94 173.68 1bq4 n PRO 77 N -2.53 1.62 -4.17 0.37 -0.02 -1.26 -4.82 135.00 124.18 1bq4 n PRO 77 Ca 0.09 0.59 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 1bq4 n PRO 77 Cb 0.53 -2.42 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1bq4 n PRO 77 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bq4 s VAL 78 N -1.30 0.96 0.06 -1.45 0.11 -1.26 -1.39 120.40 116.13 1bq4 s VAL 78 Ca 0.68 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 1bq4 s VAL 78 Cb -0.45 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1bq4 s VAL 78 CO 0.52 0.34 -0.21 0.20 -3.33 0.00 0.00 175.10 172.62 1bq4 s ASN 79 N 1.25 2.50 0.06 3.54 -0.87 -1.03 -5.06 114.94 115.33 1bq4 s ASN 79 Ca -0.04 -0.57 0.04 0.00 -1.57 0.00 0.00 52.86 50.72 1bq4 s ASN 79 Cb -0.14 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 40.88 1bq4 s ASN 79 CO -0.03 0.13 -0.12 -0.13 -2.57 0.00 0.00 177.10 174.39 1bq4 s ARG 80 N -1.38 0.73 -0.09 -0.60 0.52 -1.26 -1.09 118.95 115.77 1bq4 s ARG 80 Ca 0.07 -0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 54.17 1bq4 s ARG 80 Cb -0.09 -0.66 0.06 0.00 0.52 0.00 0.00 34.95 34.78 1bq4 s ARG 80 CO 0.02 0.14 0.59 0.45 0.02 0.00 0.00 175.30 176.52 1bq4 s SER 81 N -1.60 -0.56 0.58 0.23 0.15 -1.15 -4.97 113.70 106.37 1bq4 s SER 81 Ca -0.04 0.73 0.36 0.00 0.70 0.00 0.00 55.95 57.70 1bq4 s SER 81 Cb -0.10 0.69 1.59 0.00 -1.71 0.00 0.00 66.02 66.50 1bq4 s SER 81 CO 0.02 -0.47 2.07 4.11 1.20 0.00 0.00 173.24 180.16 1bq4 h TRP 82 N 3.78 0.00 0.00 3.44 5.08 -1.90 -2.66 115.95 123.68 1bq4 h TRP 82 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1bq4 h TRP 82 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1bq4 h TRP 82 CO 0.41 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.11 1bq4 n ARG 83 N -3.09 0.07 0.00 0.12 1.74 -1.26 -1.98 116.66 112.25 1bq4 n ARG 83 Ca -0.00 0.28 0.11 0.00 -0.77 0.00 0.00 57.85 57.47 1bq4 n ARG 83 Cb 0.26 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 1bq4 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bq4 n LEU 84 N -1.74 0.74 -4.33 0.55 4.77 -1.01 -4.17 117.00 111.81 1bq4 n LEU 84 Ca 0.03 -0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.38 1bq4 n LEU 84 Cb 0.21 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1bq4 n LEU 84 CO 0.17 0.16 -0.35 0.59 -1.33 0.00 0.00 177.39 176.63 1bq4 n ASN 85 N -1.69 -2.84 -4.31 -1.43 4.13 -0.84 -4.07 115.26 104.22 1bq4 n ASN 85 Ca 0.03 0.37 -0.29 0.00 1.68 0.00 0.00 54.58 56.36 1bq4 n ASN 85 Cb 0.38 -1.10 0.22 0.00 -1.54 0.00 0.00 39.78 37.74 1bq4 n ASN 85 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1bq4 s GLU 86 N -2.98 -0.53 0.54 3.52 2.56 -1.26 -4.51 118.70 116.04 1bq4 s GLU 86 Ca 0.55 0.33 -0.20 0.00 0.00 0.00 0.00 54.97 55.65 1bq4 s GLU 86 Cb -0.25 -1.64 -0.06 0.00 2.00 0.00 0.00 34.13 34.18 1bq4 s GLU 86 CO 0.69 -3.33 1.12 0.50 -0.56 0.00 0.00 175.26 173.68 1bq4 s ARG 87 N -5.05 3.39 0.14 4.30 3.00 -1.26 -4.81 118.95 118.66 1bq4 s ARG 87 Ca 0.68 1.60 -0.25 0.00 -1.00 0.00 0.00 55.73 56.76 1bq4 s ARG 87 Cb -0.16 -2.01 -0.08 0.00 0.00 0.00 0.00 34.95 32.70 1bq4 s ARG 87 CO 0.58 -0.82 0.77 -1.58 0.00 0.00 0.00 175.30 174.25 1bq4 s HIS 88 N -1.78 3.88 -2.44 5.12 5.65 -1.26 -3.99 115.29 120.47 1bq4 s HIS 88 Ca 0.72 1.59 0.23 0.00 0.25 0.00 0.00 55.06 57.85 1bq4 s HIS 88 Cb -0.24 -2.76 0.48 0.00 -1.18 0.00 0.00 32.58 28.89 1bq4 s HIS 88 CO 0.27 0.48 1.43 0.66 -0.65 0.00 0.00 174.74 176.93 1bq4 n TYR 89 N 1.78 0.45 0.00 3.88 4.01 -1.26 -3.36 117.16 122.66 1bq4 n TYR 89 Ca -0.05 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1bq4 n TYR 89 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1bq4 n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bq4 n GLY 90 N 1.44 3.40 0.29 2.72 0.00 -1.26 -1.78 105.19 109.99 1bq4 n GLY 90 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1bq4 n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bq4 h ASP 91 N 0.00 0.62 0.03 1.61 1.82 -1.28 -1.34 116.42 117.88 1bq4 h ASP 91 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1bq4 h ASP 91 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1bq4 h ASP 91 CO 0.00 0.38 0.00 0.18 -1.61 0.00 0.00 179.24 178.19 1bq4 n LEU 92 N -4.76 0.00 -4.67 2.28 4.32 -0.74 -4.70 117.00 108.74 1bq4 n LEU 92 Ca 0.11 0.22 -0.43 0.00 -0.02 0.00 0.00 56.01 55.89 1bq4 n LEU 92 Cb 0.23 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.79 1bq4 n LEU 92 CO 0.28 -0.20 1.07 -1.10 -1.22 0.00 0.00 177.39 176.22 1bq4 s GLN 93 N -2.43 4.25 -0.38 3.23 -0.21 -0.51 -3.23 119.66 120.38 1bq4 s GLN 93 Ca 0.03 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.09 1bq4 s GLN 93 Cb 0.02 -3.73 0.00 0.00 1.00 0.00 0.00 33.01 30.30 1bq4 s GLN 93 CO 0.03 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 172.95 1bq4 n GLY 94 N 3.58 0.48 3.79 3.09 0.00 -0.23 -4.86 105.19 111.04 1bq4 n GLY 94 Ca 0.13 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1bq4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bq4 s LYS 95 N -3.10 3.04 0.00 1.61 -0.14 -1.20 -4.84 119.74 115.11 1bq4 s LYS 95 Ca 0.00 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.76 1bq4 s LYS 95 Cb 0.00 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 1bq4 s LYS 95 CO 0.00 0.62 1.38 0.34 -0.76 0.00 0.00 175.35 176.92 1bq4 s ASP 96 N -2.03 6.87 0.14 2.83 -1.08 -1.26 -1.86 116.67 120.29 1bq4 s ASP 96 Ca 0.26 2.09 -0.18 0.00 -0.52 0.00 0.00 52.55 54.20 1bq4 s ASP 96 Cb -0.12 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.80 1bq4 s ASP 96 CO 0.18 -0.70 1.71 0.11 0.52 0.00 0.00 175.17 176.99 1bq4 h LYS 97 N 7.73 0.08 0.00 4.34 1.57 -0.94 -1.12 116.57 128.22 1bq4 h LYS 97 Ca -0.38 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.31 1bq4 h LYS 97 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1bq4 h LYS 97 CO 0.90 0.05 -0.44 0.00 -0.57 0.00 0.00 179.45 179.39 1bq4 h ALA 98 N 1.25 1.07 0.00 3.86 0.00 -1.92 -2.55 119.26 120.97 1bq4 h ALA 98 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bq4 h ALA 98 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bq4 h ALA 98 CO -0.23 0.55 0.00 1.49 0.00 0.00 0.00 179.25 181.05 1bq4 h GLU 99 N 0.00 0.00 0.00 0.00 4.81 -1.78 -2.93 114.58 114.69 1bq4 h GLU 99 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1bq4 h GLU 99 Cb 0.89 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1bq4 h GLU 99 CO 0.06 0.00 -1.60 2.41 -0.73 0.00 0.00 179.01 179.15 1bq4 n THR 100 N -2.52 0.89 -0.02 0.32 -1.04 -0.48 -3.41 114.28 108.02 1bq4 n THR 100 Ca 0.04 -0.66 -0.08 0.00 -2.04 0.00 0.00 64.05 61.32 1bq4 n THR 100 Cb 0.42 -0.49 0.09 0.00 -1.82 0.00 0.00 70.33 68.53 1bq4 n THR 100 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1bq4 h LEU 101 N 0.00 0.65 -0.52 -4.42 5.85 -1.27 -2.63 115.31 112.97 1bq4 h LEU 101 Ca -0.16 -0.29 -0.16 0.00 0.84 0.00 0.00 57.88 58.12 1bq4 h LEU 101 Cb 1.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1bq4 h LEU 101 CO 0.03 0.97 -0.74 0.11 -0.34 0.00 0.00 178.44 178.47 1bq4 h LYS 102 N 0.51 0.03 0.01 1.25 1.57 -1.65 0.11 116.57 118.40 1bq4 h LYS 102 Ca 0.04 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1bq4 h LYS 102 Cb 0.90 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1bq4 h LYS 102 CO 0.08 0.76 -0.92 -0.22 -0.57 0.00 0.00 179.45 178.57 1bq4 h LYS 103 N 0.02 0.05 0.00 3.15 3.64 -1.56 -3.33 116.57 118.54 1bq4 h LYS 103 Ca -0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1bq4 h LYS 103 Cb 1.30 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1bq4 h LYS 103 CO 0.10 0.93 -1.99 1.19 -2.27 0.00 0.00 179.45 177.41 1bq4 n PHE 104 N -3.50 0.00 -0.79 1.91 3.72 -1.00 -5.10 117.46 112.70 1bq4 n PHE 104 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1bq4 n PHE 104 Cb 0.86 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1bq4 n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bq4 n GLY 105 N 1.28 -4.05 0.01 1.37 0.00 0.39 -4.05 105.19 100.14 1bq4 n GLY 105 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.28 1bq4 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bq4 n GLU 106 N 0.16 -0.00 -0.02 1.61 2.13 -1.25 -1.77 120.64 121.50 1bq4 n GLU 106 Ca 0.00 0.03 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 1bq4 n GLU 106 Cb 0.00 -0.07 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 1bq4 n GLU 106 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1bq4 h GLU 107 N 0.00 -0.06 -0.50 5.31 4.39 -1.94 -2.89 114.58 118.89 1bq4 h GLU 107 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1bq4 h GLU 107 Cb 0.08 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1bq4 h GLU 107 CO -0.01 0.57 0.13 -0.22 -1.16 0.00 0.00 179.01 178.31 1bq4 h LYS 108 N -0.83 0.75 0.19 2.33 3.64 -1.49 -2.21 116.57 118.95 1bq4 h LYS 108 Ca -0.01 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1bq4 h LYS 108 Cb 0.66 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1bq4 h LYS 108 CO 0.01 0.68 -0.09 0.35 -2.27 0.00 0.00 179.45 178.13 1bq4 h PHE 109 N 0.73 -0.23 -0.28 1.91 3.57 -1.68 -2.73 116.94 118.23 1bq4 h PHE 109 Ca 0.16 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1bq4 h PHE 109 Cb 0.26 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1bq4 h PHE 109 CO 0.01 -0.10 -0.17 -0.97 -2.23 0.00 0.00 178.31 174.85 1bq4 h ASN 110 N -0.30 0.49 -0.33 0.41 -1.24 -1.40 -1.19 115.58 112.01 1bq4 h ASN 110 Ca -0.03 -0.14 -0.11 0.00 0.71 0.00 0.00 56.30 56.74 1bq4 h ASN 110 Cb 0.23 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 1bq4 h ASN 110 CO 0.04 0.68 -0.17 0.74 -1.29 0.00 0.00 177.43 177.43 1bq4 h THR 111 N 0.45 1.27 -0.33 -3.57 2.02 -1.36 0.13 112.91 111.51 1bq4 h THR 111 Ca 0.08 -1.27 -0.15 0.00 0.77 0.00 0.00 66.41 65.84 1bq4 h THR 111 Cb 0.56 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1bq4 h THR 111 CO 0.04 0.43 -0.40 1.88 0.37 0.00 0.00 175.52 177.84 1bq4 h TYR 112 N 0.71 0.96 0.11 3.16 0.05 -1.24 -0.84 116.97 119.88 1bq4 h TYR 112 Ca 0.11 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1bq4 h TYR 112 Cb 0.67 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1bq4 h TYR 112 CO 0.04 1.07 -0.05 0.00 -1.05 0.00 0.00 178.16 178.16 1bq4 h ARG 113 N 0.65 -0.15 -0.22 4.88 3.08 -0.95 -3.42 114.38 118.26 1bq4 h ARG 113 Ca 0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1bq4 h ARG 113 Cb 0.96 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1bq4 h ARG 113 CO 0.09 0.34 0.00 0.54 -1.07 0.00 0.00 179.97 179.87 1bq4 n ARG 114 N -4.87 2.62 -2.49 0.04 5.12 0.41 -5.03 116.66 112.46 1bq4 n ARG 114 Ca -0.08 -1.79 -0.32 0.00 -1.93 0.00 0.00 57.85 53.73 1bq4 n ARG 114 Cb 0.28 -1.18 -0.04 0.00 -1.16 0.00 0.00 32.46 30.35 1bq4 n ARG 114 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bq4 s SER 115 N -0.96 6.69 0.20 0.55 1.04 -0.32 -4.75 113.70 116.14 1bq4 s SER 115 Ca 0.15 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 1bq4 s SER 115 Cb 0.08 -2.51 0.14 0.00 0.10 0.00 0.00 66.02 63.83 1bq4 s SER 115 CO 0.11 -0.54 1.54 0.15 0.98 0.00 0.00 173.24 175.48 1bq4 h PHE 116 N 1.13 0.71 0.00 5.02 3.57 -1.88 -3.39 116.94 122.11 1bq4 h PHE 116 Ca -0.47 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 60.80 1bq4 h PHE 116 Cb 1.18 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1bq4 h PHE 116 CO 0.63 0.95 -0.32 -0.40 -2.23 0.00 0.00 178.31 176.95 1bq4 n ASP 117 N -3.99 0.73 -4.31 0.41 5.68 -1.26 -0.48 116.55 113.32 1bq4 n ASP 117 Ca -0.03 -2.27 -0.36 0.00 -0.50 0.00 0.00 54.79 51.63 1bq4 n ASP 117 Cb 0.57 -0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 40.16 1bq4 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1bq4 s VAL 118 N -0.86 3.65 0.15 2.12 1.01 -1.26 -4.98 120.40 120.23 1bq4 s VAL 118 Ca 0.09 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1bq4 s VAL 118 Cb 0.08 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1bq4 s VAL 118 CO 0.01 0.18 0.44 -2.16 0.00 0.00 0.00 175.10 173.57 1bq4 s PRO 119 N 1.46 3.74 1.17 2.72 0.04 -1.26 -4.64 135.00 138.23 1bq4 s PRO 119 Ca 0.03 0.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.07 1bq4 s PRO 119 Cb -0.16 -2.85 0.25 0.00 0.04 0.00 0.00 34.50 31.77 1bq4 s PRO 119 CO 0.00 0.46 0.79 -2.30 0.04 0.00 0.00 177.00 175.99 1bq4 n PRO 120 N 0.36 -2.28 -1.31 0.56 -0.02 -1.26 -4.89 135.00 126.16 1bq4 n PRO 120 Ca -0.04 -0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 60.48 1bq4 n PRO 120 Cb 0.52 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1bq4 n PRO 120 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1bq4 s PRO 121 N -4.18 2.12 0.89 0.52 0.02 -1.26 -4.77 135.00 128.34 1bq4 s PRO 121 Ca 0.66 1.42 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 1bq4 s PRO 121 Cb -0.23 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.56 1bq4 s PRO 121 CO 0.65 -1.78 1.11 -1.25 -0.33 0.00 0.00 177.00 175.41 1bq4 s PRO 122 N -4.44 1.27 0.43 5.54 0.04 -1.26 -1.21 135.00 135.37 1bq4 s PRO 122 Ca 0.66 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 1bq4 s PRO 122 Cb -0.22 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1bq4 s PRO 122 CO 0.50 -2.37 0.65 -1.50 0.04 0.00 0.00 177.00 174.32 1bq4 s ILE 123 N -2.74 4.31 0.40 0.56 2.07 -0.22 -3.95 121.20 121.62 1bq4 s ILE 123 Ca 0.65 -0.44 -0.21 0.00 -1.41 0.00 0.00 60.65 59.24 1bq4 s ILE 123 Cb -0.21 -3.59 -0.11 0.00 0.13 0.00 0.00 42.46 38.69 1bq4 s ILE 123 CO 0.58 -0.42 0.91 -0.62 -1.91 0.00 0.00 174.94 173.48 1bq4 s ASP 124 N -4.17 6.97 0.47 4.50 3.68 -1.26 -4.95 116.67 121.92 1bq4 s ASP 124 Ca 0.46 1.65 0.24 0.00 2.13 0.00 0.00 52.55 57.03 1bq4 s ASP 124 Cb -0.10 -2.52 1.18 0.00 -1.45 0.00 0.00 42.92 40.04 1bq4 s ASP 124 CO 0.38 -0.29 1.96 0.00 0.13 0.00 0.00 175.17 177.35 1bq4 h ALA 125 N 2.15 1.23 0.00 3.66 0.00 -2.00 -2.60 119.26 121.71 1bq4 h ALA 125 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bq4 h ALA 125 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bq4 h ALA 125 CO 0.62 0.24 -0.25 0.66 0.00 0.00 0.00 179.25 180.53 1bq4 h SER 126 N 0.00 0.00 -3.59 0.00 4.64 -1.99 -3.45 113.55 109.16 1bq4 h SER 126 Ca -0.00 -0.07 -0.55 0.00 -0.47 0.00 0.00 61.79 60.71 1bq4 h SER 126 Cb 0.50 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.78 1bq4 h SER 126 CO 0.02 0.03 -0.19 -0.24 -0.87 0.00 0.00 176.83 175.59 1bq4 n SER 127 N -2.34 -0.64 -0.06 4.97 2.88 -0.98 -4.89 113.62 112.56 1bq4 n SER 127 Ca 0.04 0.53 0.14 0.00 -1.33 0.00 0.00 58.87 58.25 1bq4 n SER 127 Cb 0.45 -1.31 0.55 0.00 -0.75 0.00 0.00 64.21 63.15 1bq4 n SER 127 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1bq4 n PRO 128 N -1.79 0.38 -0.60 -1.46 -0.02 -1.26 -3.54 135.00 126.72 1bq4 n PRO 128 Ca 0.10 -0.12 0.02 0.00 -2.02 0.00 0.00 63.50 61.48 1bq4 n PRO 128 Cb 0.51 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.71 1bq4 n PRO 128 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bq4 n PHE 129 N -1.20 0.94 -3.98 6.00 0.99 -1.26 -4.98 117.46 113.97 1bq4 n PHE 129 Ca 0.11 -1.26 -0.35 0.00 -0.00 0.00 0.00 57.45 55.95 1bq4 n PHE 129 Cb 0.30 -0.39 -0.06 0.00 -1.00 0.00 0.00 39.48 38.33 1bq4 n PHE 129 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1bq4 s SER 130 N -2.33 6.13 -0.08 4.37 0.15 -1.23 -4.82 113.70 115.89 1bq4 s SER 130 Ca 0.43 0.35 0.13 0.00 0.70 0.00 0.00 55.95 57.56 1bq4 s SER 130 Cb 0.37 -1.91 0.40 0.00 -1.71 0.00 0.00 66.02 63.17 1bq4 s SER 130 CO 0.04 0.35 1.32 0.00 1.20 0.00 0.00 173.24 176.15 1bq4 n GLN 131 N 1.64 2.88 -1.59 5.44 3.00 -1.26 -4.98 117.38 122.51 1bq4 n GLN 131 Ca -0.17 -2.40 -0.42 0.00 -0.01 0.00 0.00 57.00 54.01 1bq4 n GLN 131 Cb 0.54 -1.52 -0.03 0.00 0.00 0.00 0.00 30.24 29.22 1bq4 n GLN 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1bq4 n LYS 132 N -0.01 1.77 -0.71 -1.09 0.00 -1.26 -1.67 118.16 115.19 1bq4 n LYS 132 Ca 0.16 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.89 1bq4 n LYS 132 Cb 0.63 -3.28 0.00 0.00 0.00 0.00 0.00 35.03 32.39 1bq4 n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bq4 n GLY 133 N 5.84 0.79 3.76 3.14 0.00 -1.26 -5.06 105.19 112.40 1bq4 n GLY 133 Ca 0.32 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1bq4 n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bq4 s ASP 134 N -2.55 6.94 0.48 1.61 1.11 -0.67 -4.94 116.67 118.65 1bq4 s ASP 134 Ca 0.00 2.51 0.22 0.00 0.18 0.00 0.00 52.55 55.46 1bq4 s ASP 134 Cb 0.00 -2.63 1.25 0.00 1.07 0.00 0.00 42.92 42.61 1bq4 s ASP 134 CO 0.00 -0.42 1.93 -0.08 1.18 0.00 0.00 175.17 177.78 1bq4 h GLU 135 N 3.93 0.19 -0.01 8.23 4.81 -1.97 -1.31 114.58 128.45 1bq4 h GLU 135 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1bq4 h GLU 135 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1bq4 h GLU 135 CO 0.68 0.13 0.00 2.89 -0.73 0.00 0.00 179.01 181.98 1bq4 n ARG 136 N -4.41 1.13 -1.35 1.92 1.85 -1.26 -3.10 116.66 111.44 1bq4 n ARG 136 Ca 0.14 -0.19 -0.01 0.00 -1.00 0.00 0.00 57.85 56.79 1bq4 n ARG 136 Cb 0.67 -1.45 0.11 0.00 -1.05 0.00 0.00 32.46 30.73 1bq4 n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1bq4 n TYR 137 N -0.73 0.71 0.55 2.89 4.02 -0.50 -4.85 117.16 119.25 1bq4 n TYR 137 Ca 0.21 -1.48 0.12 0.00 -0.01 0.00 0.00 57.90 56.74 1bq4 n TYR 137 Cb 0.15 -0.24 0.18 0.00 -0.02 0.00 0.00 39.34 39.40 1bq4 n TYR 137 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1bq4 h LYS 138 N 1.42 0.00 -0.43 -0.72 2.10 -1.55 -3.34 116.57 114.05 1bq4 h LYS 138 Ca 0.01 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.48 1bq4 h LYS 138 Cb 1.36 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.58 1bq4 h LYS 138 CO 0.20 0.00 0.05 0.66 -2.00 0.00 0.00 179.45 178.36 1bq4 n TYR 139 N -2.16 1.38 -4.65 0.07 4.02 -1.26 -4.95 117.16 109.60 1bq4 n TYR 139 Ca 0.03 -1.42 -0.30 0.00 -0.01 0.00 0.00 57.90 56.20 1bq4 n TYR 139 Cb 0.44 -0.52 -0.13 0.00 -0.02 0.00 0.00 39.34 39.12 1bq4 n TYR 139 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1bq4 s VAL 140 N -3.13 2.39 -0.41 -0.72 1.01 -1.25 -5.06 120.40 113.23 1bq4 s VAL 140 Ca 0.46 -1.45 -0.34 0.00 0.00 0.00 0.00 61.98 60.64 1bq4 s VAL 140 Cb 0.40 -2.00 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 1bq4 s VAL 140 CO 0.04 0.26 2.24 -0.67 0.00 0.00 0.00 175.10 176.97 1bq4 n ASP 141 N 1.40 1.98 -0.38 3.32 2.03 -1.26 -4.81 116.55 118.82 1bq4 n ASP 141 Ca -0.17 0.33 0.30 0.00 0.52 0.00 0.00 54.79 55.77 1bq4 n ASP 141 Cb 0.52 -1.26 0.59 0.00 -0.72 0.00 0.00 41.12 40.26 1bq4 n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1bq4 h PRO 142 N 12.84 0.22 -0.00 -0.67 0.11 -1.94 -0.80 132.00 141.76 1bq4 h PRO 142 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1bq4 h PRO 142 Cb 1.32 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1bq4 h PRO 142 CO 1.06 0.15 -0.07 -0.91 -0.21 0.00 0.00 178.00 178.02 1bq4 h ASN 143 N 0.23 0.00 1.42 -2.05 2.35 -2.02 -3.15 115.58 112.35 1bq4 h ASN 143 Ca 0.70 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 1bq4 h ASN 143 Cb 2.05 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.42 1bq4 h ASN 143 CO -0.33 0.07 -0.45 1.62 -1.65 0.00 0.00 177.43 176.69 1bq4 h VAL 144 N 0.00 0.00 -2.52 2.81 3.04 -1.52 -3.46 116.25 114.61 1bq4 h VAL 144 Ca 0.00 -0.87 -0.53 0.00 -1.01 0.00 0.00 66.70 64.29 1bq4 h VAL 144 Cb 0.12 1.63 0.04 0.00 -2.01 0.00 0.00 31.29 31.08 1bq4 h VAL 144 CO 0.01 0.00 1.08 0.18 -1.01 0.00 0.00 177.57 177.83 1bq4 n LEU 145 N -2.72 4.01 -4.89 3.16 4.32 -1.19 -4.96 117.00 114.72 1bq4 n LEU 145 Ca 0.03 1.00 -0.29 0.00 -0.02 0.00 0.00 56.01 56.73 1bq4 n LEU 145 Cb 0.51 -1.55 0.02 0.00 -1.62 0.00 0.00 43.42 40.78 1bq4 n LEU 145 CO 0.36 0.17 0.61 -2.16 -1.22 0.00 0.00 177.39 175.15 1bq4 s PRO 146 N 2.37 3.37 0.00 3.23 0.04 -1.26 -4.96 135.00 137.79 1bq4 s PRO 146 Ca 0.81 0.42 0.02 0.00 0.04 0.00 0.00 61.00 62.29 1bq4 s PRO 146 Cb -0.49 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1bq4 s PRO 146 CO 0.36 -0.55 0.67 0.39 0.04 0.00 0.00 177.00 177.92 1bq4 n GLU 147 N -2.61 0.08 -3.82 4.56 1.02 -1.26 -4.97 120.64 113.63 1bq4 n GLU 147 Ca 0.04 -0.84 0.03 0.00 -0.02 0.00 0.00 57.16 56.37 1bq4 n GLU 147 Cb 0.55 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.93 1bq4 n GLU 147 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bq4 s THR 148 N -0.36 0.00 0.01 2.62 -1.32 -1.26 -1.06 115.64 114.27 1bq4 s THR 148 Ca 0.03 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.08 1bq4 s THR 148 Cb 0.02 -2.55 0.10 0.00 -1.51 0.00 0.00 72.50 68.57 1bq4 s THR 148 CO 0.03 0.00 1.26 -0.70 -2.21 0.00 0.00 174.62 173.00 1bq4 s GLU 149 N -2.13 0.49 0.22 7.08 2.12 -1.21 -4.78 118.70 120.48 1bq4 s GLU 149 Ca 0.23 -0.30 -0.08 0.00 0.36 0.00 0.00 54.97 55.18 1bq4 s GLU 149 Cb 0.02 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 1bq4 s GLU 149 CO -0.03 -0.23 0.33 -1.54 -0.54 0.00 0.00 175.26 173.25 1bq4 s SER 150 N -3.37 0.01 0.17 -1.70 1.04 -1.26 -4.32 113.70 104.27 1bq4 s SER 150 Ca 0.21 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.38 1bq4 s SER 150 Cb 0.02 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.73 1bq4 s SER 150 CO -0.02 -1.00 1.63 0.25 0.98 0.00 0.00 173.24 175.08 1bq4 h LEU 151 N 2.43 -0.74 -0.95 2.42 6.46 -1.72 0.88 115.31 124.09 1bq4 h LEU 151 Ca -0.30 0.16 0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1bq4 h LEU 151 Cb 1.25 0.39 -0.13 0.00 -0.73 0.00 0.00 40.66 41.43 1bq4 h LEU 151 CO 0.43 -0.25 -0.48 0.00 -0.62 0.00 0.00 178.44 177.53 1bq4 n ALA 152 N -2.90 -0.40 0.04 1.25 0.00 0.37 -0.98 120.51 117.88 1bq4 n ALA 152 Ca 0.02 0.87 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 1bq4 n ALA 152 Cb 0.30 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 1bq4 n ALA 152 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bq4 h LEU 153 N 0.00 -0.08 -0.90 0.00 4.07 -1.61 -1.99 115.31 114.81 1bq4 h LEU 153 Ca 0.23 -0.27 0.24 0.00 0.08 0.00 0.00 57.88 58.15 1bq4 h LEU 153 Cb 0.47 0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.09 1bq4 h LEU 153 CO -0.92 0.24 0.34 0.58 -1.08 0.00 0.00 178.44 177.60 1bq4 h VAL 154 N -0.40 0.38 -0.23 1.22 2.07 0.30 0.54 116.25 120.13 1bq4 h VAL 154 Ca -0.01 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1bq4 h VAL 154 Cb 0.35 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1bq4 h VAL 154 CO 0.02 0.05 -0.47 0.40 0.02 0.00 0.00 177.57 177.59 1bq4 h ILE 155 N 0.30 1.31 -1.01 4.57 2.04 -0.88 -0.92 117.51 122.92 1bq4 h ILE 155 Ca 0.58 -1.68 0.23 0.00 1.00 0.00 0.00 64.86 64.99 1bq4 h ILE 155 Cb 1.16 1.79 -0.10 0.00 -0.74 0.00 0.00 36.82 38.94 1bq4 h ILE 155 CO -0.60 0.53 0.63 0.44 0.00 0.00 0.00 178.15 179.16 1bq4 h ASP 156 N 0.44 0.59 0.88 1.72 3.45 0.80 -2.02 116.42 122.29 1bq4 h ASP 156 Ca 0.01 0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1bq4 h ASP 156 Cb 1.08 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 1bq4 h ASP 156 CO 0.10 0.15 -1.16 0.08 -1.57 0.00 0.00 179.24 176.85 1bq4 h ARG 157 N 0.54 0.00 0.10 3.56 0.11 -0.99 -3.39 114.38 114.31 1bq4 h ARG 157 Ca 0.59 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.53 1bq4 h ARG 157 Cb 1.24 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.33 1bq4 h ARG 157 CO -0.35 0.12 -0.62 1.25 0.10 0.00 0.00 179.97 180.47 1bq4 h LEU 158 N 0.00 0.33 -0.90 0.08 6.46 -0.55 -3.39 115.31 117.34 1bq4 h LEU 158 Ca -0.07 -0.96 0.23 0.00 -0.12 0.00 0.00 57.88 56.97 1bq4 h LEU 158 Cb 1.24 -0.11 -0.17 0.00 -0.73 0.00 0.00 40.66 40.89 1bq4 h LEU 158 CO 0.02 1.29 -0.03 0.18 -0.62 0.00 0.00 178.44 179.28 1bq4 n LEU 159 N -4.26 -0.15 0.29 2.25 4.77 -0.82 -1.85 117.00 117.24 1bq4 n LEU 159 Ca -0.13 1.54 0.15 0.00 -0.03 0.00 0.00 56.01 57.54 1bq4 n LEU 159 Cb 0.73 -0.54 0.86 0.00 -2.33 0.00 0.00 43.42 42.14 1bq4 n LEU 159 CO 0.44 -1.54 1.06 -0.65 -1.33 0.00 0.00 177.39 175.37 1bq4 h PRO 160 N 0.00 0.00 0.00 3.23 0.11 -1.80 0.38 132.00 133.92 1bq4 h PRO 160 Ca 0.52 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.38 1bq4 h PRO 160 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1bq4 h PRO 160 CO -0.87 0.05 -1.37 -0.92 -0.21 0.00 0.00 178.00 174.69 1bq4 h TYR 161 N 0.00 0.00 0.07 0.65 3.20 -1.61 -3.06 116.97 116.21 1bq4 h TYR 161 Ca -0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1bq4 h TYR 161 Cb 0.18 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.47 1bq4 h TYR 161 CO 0.00 0.99 -0.91 2.35 -1.64 0.00 0.00 178.16 178.95 1bq4 h TRP 162 N 0.00 0.79 -0.70 -3.82 2.91 -1.10 -1.58 115.95 112.45 1bq4 h TRP 162 Ca -0.15 -0.48 -0.04 0.00 1.13 0.00 0.00 58.89 59.35 1bq4 h TRP 162 Cb 1.89 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 30.44 1bq4 h TRP 162 CO 0.00 1.32 0.28 1.96 -1.03 0.00 0.00 178.44 180.97 1bq4 h GLN 163 N 0.03 1.03 0.00 2.65 4.20 -0.37 -2.16 115.11 120.49 1bq4 h GLN 163 Ca -0.13 -0.17 -0.35 0.00 0.06 0.00 0.00 58.65 58.05 1bq4 h GLN 163 Cb 1.62 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 29.17 1bq4 h GLN 163 CO 0.18 0.83 -2.25 -0.25 -0.67 0.00 0.00 178.83 176.67 1bq4 n ASP 164 N -4.30 2.01 -0.07 1.46 10.43 -1.16 -4.55 116.55 120.37 1bq4 n ASP 164 Ca 0.06 0.07 -0.05 0.00 2.57 0.00 0.00 54.79 57.44 1bq4 n ASP 164 Cb 0.18 -0.49 -0.02 0.00 1.84 0.00 0.00 41.12 42.62 1bq4 n ASP 164 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1bq4 h VAL 165 N -0.38 0.04 0.00 2.53 2.07 -1.56 -3.38 116.25 115.58 1bq4 h VAL 165 Ca -0.53 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1bq4 h VAL 165 Cb 1.64 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1bq4 h VAL 165 CO -0.20 0.01 -0.12 0.40 0.02 0.00 0.00 177.57 177.68 1bq4 h ILE 166 N -1.00 0.27 0.00 4.57 2.04 -1.41 -3.24 117.51 118.75 1bq4 h ILE 166 Ca -0.01 -0.91 -0.19 0.00 1.00 0.00 0.00 64.86 64.75 1bq4 h ILE 166 Cb 0.50 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1bq4 h ILE 166 CO -0.01 0.12 -0.92 0.00 0.00 0.00 0.00 178.15 177.33 1bq4 h ALA 167 N 1.88 0.46 0.11 1.87 0.00 -1.62 -3.10 119.26 118.86 1bq4 h ALA 167 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1bq4 h ALA 167 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bq4 h ALA 167 CO 0.02 1.11 -0.08 -0.22 0.00 0.00 0.00 179.25 180.07 1bq4 h LYS 168 N 0.00 -0.19 -0.36 0.00 3.64 -1.73 -0.61 116.57 117.33 1bq4 h LYS 168 Ca -0.03 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1bq4 h LYS 168 Cb 1.68 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.49 1bq4 h LYS 168 CO 0.11 -0.12 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.71 1bq4 h ASP 169 N -0.19 -0.19 -0.00 4.20 3.45 -1.70 0.54 116.42 122.52 1bq4 h ASP 169 Ca -0.00 0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.56 1bq4 h ASP 169 Cb 0.17 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1bq4 h ASP 169 CO -0.00 -0.06 -0.08 -0.07 -1.57 0.00 0.00 179.24 177.46 1bq4 h LEU 170 N 0.07 -0.22 -0.39 1.55 -0.00 -1.39 -1.45 115.31 113.49 1bq4 h LEU 170 Ca 0.17 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1bq4 h LEU 170 Cb 0.25 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1bq4 h LEU 170 CO -0.31 -0.11 0.00 0.18 -0.00 0.00 0.00 178.44 178.20 1bq4 n LEU 171 N -5.20 0.54 -0.27 1.67 4.77 -0.27 -1.17 117.00 117.07 1bq4 n LEU 171 Ca -0.06 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 1bq4 n LEU 171 Cb 0.12 -0.50 0.47 0.00 -2.33 0.00 0.00 43.42 41.18 1bq4 n LEU 171 CO 0.29 -0.39 0.82 -1.20 -1.33 0.00 0.00 177.39 175.58 1bq4 n SER 172 N -2.07 0.82 0.00 -1.43 7.64 0.18 -4.90 113.62 113.86 1bq4 n SER 172 Ca 0.03 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1bq4 n SER 172 Cb 0.27 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1bq4 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bq4 n GLY 173 N 0.96 2.99 3.45 0.23 0.00 -0.32 -5.01 105.19 107.48 1bq4 n GLY 173 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1bq4 n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bq4 n LYS 174 N -0.72 -0.22 -3.70 1.61 5.02 -0.69 -4.81 118.16 114.64 1bq4 n LYS 174 Ca 0.00 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 1bq4 n LYS 174 Cb 0.00 -1.91 -0.12 0.00 -0.02 0.00 0.00 35.03 32.98 1bq4 n LYS 174 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bq4 s THR 175 N -2.35 4.17 -0.12 -0.18 2.01 -1.26 -4.33 115.64 113.57 1bq4 s THR 175 Ca 0.59 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1bq4 s THR 175 Cb -0.23 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1bq4 s THR 175 CO 0.65 -0.07 0.25 -0.69 -0.69 0.00 0.00 174.62 174.07 1bq4 s VAL 176 N 1.51 5.33 -0.12 3.82 1.01 -0.96 -0.92 120.40 130.06 1bq4 s VAL 176 Ca 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1bq4 s VAL 176 Cb -0.18 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1bq4 s VAL 176 CO 0.04 0.51 -0.04 -0.32 0.00 0.00 0.00 175.10 175.29 1bq4 s MET 177 N -0.36 3.30 -0.05 2.72 -2.45 -0.56 -0.91 119.30 120.98 1bq4 s MET 177 Ca 0.16 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.14 1bq4 s MET 177 Cb -0.13 -2.81 0.00 0.00 1.25 0.00 0.00 34.83 33.14 1bq4 s MET 177 CO 0.05 0.44 -0.16 0.42 1.05 0.00 0.00 175.02 176.82 1bq4 s ILE 178 N -0.19 1.41 -0.26 10.11 1.01 -0.24 0.57 121.20 133.61 1bq4 s ILE 178 Ca 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1bq4 s ILE 178 Cb -0.13 -1.23 0.08 0.00 0.01 0.00 0.00 42.46 41.19 1bq4 s ILE 178 CO 0.02 0.41 0.04 0.00 0.00 0.00 0.00 174.94 175.42 1bq4 s ALA 179 N 0.24 1.52 0.00 9.38 0.00 -0.16 -1.56 121.76 131.18 1bq4 s ALA 179 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1bq4 s ALA 179 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1bq4 s ALA 179 CO 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 175.76 174.39 1bq4 n ALA 180 N 4.85 0.00 -2.59 0.00 0.00 -1.12 -3.42 120.51 118.22 1bq4 n ALA 180 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1bq4 n ALA 180 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1bq4 n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1bq4 s HIS 181 N 1.79 2.23 0.09 0.00 3.76 -1.26 -3.31 115.29 118.59 1bq4 s HIS 181 Ca 0.00 -0.76 -0.33 0.00 -0.15 0.00 0.00 55.06 53.82 1bq4 s HIS 181 Cb 0.00 -1.79 -0.15 0.00 1.11 0.00 0.00 32.58 31.75 1bq4 s HIS 181 CO 0.00 0.21 1.52 0.78 -0.85 0.00 0.00 174.74 176.39 1bq4 h GLY 182 N 1.43 -1.21 0.97 -2.22 0.00 -1.94 -0.94 103.07 99.16 1bq4 h GLY 182 Ca -0.43 0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1bq4 h GLY 182 CO 0.73 -0.33 0.08 3.43 0.00 0.00 0.00 176.54 180.46 1bq4 h ASN 183 N -0.83 0.74 0.39 0.19 2.35 -1.96 -2.45 115.58 114.01 1bq4 h ASN 183 Ca -0.03 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 1bq4 h ASN 183 Cb 0.77 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1bq4 h ASN 183 CO -0.16 0.81 -0.33 0.77 -1.65 0.00 0.00 177.43 176.87 1bq4 h SER 184 N 0.64 0.00 0.57 5.81 4.64 -1.78 -0.06 113.55 123.37 1bq4 h SER 184 Ca 0.14 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.18 1bq4 h SER 184 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1bq4 h SER 184 CO 0.01 0.33 -1.37 -0.07 -0.87 0.00 0.00 176.83 174.86 1bq4 h LEU 185 N 0.00 0.38 -0.61 5.97 3.38 -1.14 -1.24 115.31 122.04 1bq4 h LEU 185 Ca -0.00 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1bq4 h LEU 185 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1bq4 h LEU 185 CO 0.04 1.37 0.12 0.03 0.09 0.00 0.00 178.44 180.10 1bq4 h ARG 186 N 0.07 1.00 -0.76 1.13 3.08 -1.33 0.12 114.38 117.69 1bq4 h ARG 186 Ca -0.18 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.63 1bq4 h ARG 186 Cb 1.98 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.87 1bq4 h ARG 186 CO 0.18 0.92 0.49 0.78 -1.07 0.00 0.00 179.97 181.27 1bq4 h GLY 187 N 0.91 1.08 0.98 0.04 0.00 -0.97 0.53 103.07 105.63 1bq4 h GLY 187 Ca 0.19 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1bq4 h GLY 187 CO 0.01 0.35 -0.04 -2.00 0.00 0.00 0.00 176.54 174.86 1bq4 h LEU 188 N 0.98 0.77 -1.33 3.11 5.85 -0.91 -2.83 115.31 120.95 1bq4 h LEU 188 Ca 0.29 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1bq4 h LEU 188 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1bq4 h LEU 188 CO -0.08 0.91 -0.26 0.58 -0.34 0.00 0.00 178.44 179.25 1bq4 h VAL 189 N 0.61 1.22 -0.17 1.05 2.07 -0.54 -1.41 116.25 119.06 1bq4 h VAL 189 Ca 0.12 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1bq4 h VAL 189 Cb 0.54 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1bq4 h VAL 189 CO 0.03 0.30 -0.00 0.50 0.02 0.00 0.00 177.57 178.42 1bq4 h LYS 190 N 0.11 0.31 -0.48 1.57 3.64 -0.77 0.28 116.57 121.23 1bq4 h LYS 190 Ca 0.02 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1bq4 h LYS 190 Cb 0.52 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1bq4 h LYS 190 CO 0.04 0.53 0.21 1.25 -2.27 0.00 0.00 179.45 179.21 1bq4 h HIS 191 N 0.05 0.39 0.36 1.91 2.76 -1.25 -1.22 115.15 118.15 1bq4 h HIS 191 Ca 0.05 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1bq4 h HIS 191 Cb 0.39 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1bq4 h HIS 191 CO 0.04 0.17 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.59 1bq4 h LEU 192 N 0.42 -0.42 -0.03 0.26 3.38 -0.94 -3.25 115.31 114.74 1bq4 h LEU 192 Ca 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bq4 h LEU 192 Cb 0.17 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bq4 h LEU 192 CO -0.18 -0.21 -0.22 -0.62 0.09 0.00 0.00 178.44 177.30 1bq4 n GLU 193 N -5.26 0.09 -0.69 1.13 1.02 0.95 -4.70 120.64 113.18 1bq4 n GLU 193 Ca -0.10 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1bq4 n GLU 193 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1bq4 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bq4 n GLY 194 N 1.47 0.84 3.42 0.62 0.00 -0.47 -5.03 105.19 106.05 1bq4 n GLY 194 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1bq4 n GLY 194 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bq4 n ILE 195 N -2.02 1.68 -1.49 -0.61 5.41 -1.21 -4.96 119.36 116.16 1bq4 n ILE 195 Ca 0.00 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.96 1bq4 n ILE 195 Cb 0.00 -0.25 0.16 0.00 -0.71 0.00 0.00 39.64 38.84 1bq4 n ILE 195 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1bq4 s SER 196 N -0.92 2.96 0.13 4.38 1.04 -1.26 -4.80 113.70 115.22 1bq4 s SER 196 Ca 0.62 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.70 1bq4 s SER 196 Cb -0.78 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 1bq4 s SER 196 CO 0.58 -2.88 1.68 0.44 0.98 0.00 0.00 173.24 174.04 1bq4 h ASP 197 N -1.73 0.53 -0.73 7.02 5.19 -2.01 -2.32 116.42 122.36 1bq4 h ASP 197 Ca -0.49 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 1bq4 h ASP 197 Cb 1.31 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 1bq4 h ASP 197 CO 0.54 0.55 0.39 0.00 -3.12 0.00 0.00 179.24 177.60 1bq4 h ALA 198 N 1.00 1.29 0.07 3.45 0.00 -2.03 -3.29 119.26 119.74 1bq4 h ALA 198 Ca 0.13 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1bq4 h ALA 198 Cb 0.19 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.69 1bq4 h ALA 198 CO -0.01 0.57 -1.13 -0.44 0.00 0.00 0.00 179.25 178.24 1bq4 h ASP 199 N 1.04 0.73 -0.12 0.00 3.32 -1.83 -3.35 116.42 116.21 1bq4 h ASP 199 Ca 0.26 -0.64 0.03 0.00 0.02 0.00 0.00 57.03 56.70 1bq4 h ASP 199 Cb 0.05 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1bq4 h ASP 199 CO -0.04 1.46 0.48 -0.29 -1.72 0.00 0.00 179.24 179.12 1bq4 h ILE 200 N 0.26 0.07 -0.28 0.35 6.09 -1.50 -1.06 117.51 121.44 1bq4 h ILE 200 Ca -0.14 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.37 1bq4 h ILE 200 Cb 1.79 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 1bq4 h ILE 200 CO 0.21 0.00 0.19 0.00 -3.07 0.00 0.00 178.15 175.48 1bq4 h ALA 201 N 1.15 1.88 -0.00 0.18 0.00 -1.78 -2.89 119.26 117.80 1bq4 h ALA 201 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bq4 h ALA 201 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1bq4 h ALA 201 CO -0.00 0.09 -0.08 1.63 0.00 0.00 0.00 179.25 180.89 1bq4 n LYS 202 N -4.49 0.45 -3.00 0.00 5.02 -0.40 -4.89 118.16 110.85 1bq4 n LYS 202 Ca 0.02 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 1bq4 n LYS 202 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1bq4 n LYS 202 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1bq4 s LEU 203 N -2.62 4.21 -0.08 -0.35 2.96 -1.09 -5.05 118.68 116.66 1bq4 s LEU 203 Ca 0.25 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 55.30 1bq4 s LEU 203 Cb 0.20 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1bq4 s LEU 203 CO 0.49 -0.27 -0.21 0.21 -1.32 0.00 0.00 176.35 175.25 1bq4 s ASN 204 N 1.05 3.40 -0.39 3.68 2.47 -1.26 -5.04 114.94 118.85 1bq4 s ASN 204 Ca 0.36 -0.44 -0.05 0.00 0.42 0.00 0.00 52.86 53.14 1bq4 s ASN 204 Cb -0.17 -1.13 0.09 0.00 -1.45 0.00 0.00 41.25 38.59 1bq4 s ASN 204 CO 0.14 0.22 0.19 -0.63 -3.72 0.00 0.00 177.10 173.30 1bq4 s ILE 205 N -0.02 3.64 0.22 -5.21 1.01 -1.26 -5.06 121.20 114.52 1bq4 s ILE 205 Ca -0.07 -1.65 -0.32 0.00 0.00 0.00 0.00 60.65 58.62 1bq4 s ILE 205 Cb -0.15 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 1bq4 s ILE 205 CO 0.05 -0.50 1.64 -0.81 0.00 0.00 0.00 174.94 175.31 1bq4 n PRO 206 N 4.74 2.56 -2.29 2.79 -0.04 -1.26 -4.96 135.00 136.54 1bq4 n PRO 206 Ca -0.08 0.92 -0.41 0.00 -0.04 0.00 0.00 63.50 63.89 1bq4 n PRO 206 Cb 0.42 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 1bq4 n PRO 206 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1bq4 s THR 207 N 0.75 3.44 0.00 0.52 -4.23 -1.26 -3.63 115.64 111.24 1bq4 s THR 207 Ca 0.73 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1bq4 s THR 207 Cb -0.56 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.55 1bq4 s THR 207 CO 0.38 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1bq4 n GLY 208 N 2.51 1.21 3.28 3.99 0.00 -0.66 -4.91 105.19 110.61 1bq4 n GLY 208 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1bq4 n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq4 s ILE 209 N -3.61 3.21 0.44 -0.61 1.09 -1.24 -3.64 121.20 116.84 1bq4 s ILE 209 Ca 0.00 -0.63 -0.24 0.00 -1.10 0.00 0.00 60.65 58.68 1bq4 s ILE 209 Cb 0.00 -2.49 -0.08 0.00 -1.06 0.00 0.00 42.46 38.83 1bq4 s ILE 209 CO 0.00 0.38 1.23 -2.84 -0.10 0.00 0.00 174.94 173.61 1bq4 s PRO 210 N 1.44 3.79 -0.13 2.79 0.02 -1.26 -4.66 135.00 136.99 1bq4 s PRO 210 Ca 0.05 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1bq4 s PRO 210 Cb -0.15 -2.54 0.02 0.00 0.02 0.00 0.00 34.50 31.85 1bq4 s PRO 210 CO -0.04 -0.58 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.72 1bq4 s LEU 211 N -2.81 1.75 -0.27 -5.54 0.20 -0.14 -2.73 118.68 109.14 1bq4 s LEU 211 Ca 0.61 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.85 1bq4 s LEU 211 Cb -0.33 -1.18 -0.05 0.00 -0.43 0.00 0.00 46.19 44.20 1bq4 s LEU 211 CO 0.41 -0.01 0.18 -0.69 -0.29 0.00 0.00 176.35 175.96 1bq4 s VAL 212 N 1.21 5.29 -0.19 1.68 1.01 -0.38 -1.22 120.40 127.79 1bq4 s VAL 212 Ca -0.01 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1bq4 s VAL 212 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1bq4 s VAL 212 CO -0.06 0.26 0.02 -0.36 0.00 0.00 0.00 175.10 174.96 1bq4 s PHE 213 N 1.68 3.09 -0.24 5.22 0.40 0.13 -2.14 117.98 126.12 1bq4 s PHE 213 Ca 0.07 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 1bq4 s PHE 213 Cb -0.16 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1bq4 s PHE 213 CO 0.10 -0.11 0.11 -1.21 0.70 0.00 0.00 175.22 174.81 1bq4 s GLU 214 N 0.79 3.87 0.32 0.44 2.02 -1.26 -0.41 118.70 124.47 1bq4 s GLU 214 Ca 0.01 -0.37 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1bq4 s GLU 214 Cb -0.14 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 1bq4 s GLU 214 CO 0.02 -0.04 0.01 -0.51 0.02 0.00 0.00 175.26 174.76 1bq4 s LEU 215 N 1.27 3.03 0.00 1.80 1.43 0.07 0.09 118.68 126.38 1bq4 s LEU 215 Ca 0.06 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1bq4 s LEU 215 Cb -0.14 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.70 1bq4 s LEU 215 CO 0.05 -0.18 0.56 -0.90 0.23 0.00 0.00 176.35 176.11 1bq4 n ASP 216 N -0.94 1.38 0.24 2.29 3.85 0.15 -1.75 116.55 121.76 1bq4 n ASP 216 Ca -0.04 -2.02 0.09 0.00 -0.71 0.00 0.00 54.79 52.10 1bq4 n ASP 216 Cb 0.61 -0.31 0.64 0.00 -1.35 0.00 0.00 41.12 40.72 1bq4 n ASP 216 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1bq4 h GLU 217 N 0.00 0.01 -0.57 0.11 9.09 -1.99 0.15 114.58 121.39 1bq4 h GLU 217 Ca -0.19 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1bq4 h GLU 217 Cb 0.85 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1bq4 h GLU 217 CO 0.26 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.42 1bq4 n ASN 218 N -4.53 2.02 -3.79 3.06 3.02 -1.26 -4.87 115.26 108.91 1bq4 n ASN 218 Ca -0.02 -2.17 -0.28 0.00 -0.03 0.00 0.00 54.58 52.09 1bq4 n ASN 218 Cb 0.12 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1bq4 n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bq4 n LEU 219 N 0.23 -2.90 -4.16 3.41 4.32 0.54 -5.01 117.00 113.43 1bq4 n LEU 219 Ca 0.09 -0.69 -0.23 0.00 -0.02 0.00 0.00 56.01 55.16 1bq4 n LEU 219 Cb 0.40 -2.74 -0.14 0.00 -1.62 0.00 0.00 43.42 39.32 1bq4 n LEU 219 CO 0.09 0.53 -0.49 -0.75 -1.22 0.00 0.00 177.39 175.55 1bq4 s LYS 220 N -6.47 1.21 0.26 3.23 2.20 -1.25 -4.86 119.74 114.05 1bq4 s LYS 220 Ca 0.61 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 55.32 1bq4 s LYS 220 Cb -0.29 -1.21 -0.14 0.00 -1.51 0.00 0.00 37.83 34.68 1bq4 s LYS 220 CO 0.79 0.32 0.24 -2.30 -0.36 0.00 0.00 175.35 174.05 1bq4 n PRO 221 N 2.31 0.00 -0.05 4.03 -0.02 -1.26 -0.68 135.00 139.33 1bq4 n PRO 221 Ca -0.16 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.10 1bq4 n PRO 221 Cb 0.54 -0.84 -0.13 0.00 -0.02 0.00 0.00 33.50 33.06 1bq4 n PRO 221 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1bq4 n SER 222 N 1.83 2.00 -4.10 2.55 7.64 0.11 -4.49 113.62 119.16 1bq4 n SER 222 Ca 0.12 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.17 1bq4 n SER 222 Cb 0.28 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.48 1bq4 n SER 222 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1bq4 s LYS 223 N -2.47 1.30 0.38 1.43 -2.85 -1.26 -5.05 119.74 111.23 1bq4 s LYS 223 Ca -0.26 -1.70 -0.25 0.00 -1.00 0.00 0.00 55.97 52.76 1bq4 s LYS 223 Cb 0.07 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1bq4 s LYS 223 CO 0.67 -0.41 1.06 -1.25 0.10 0.00 0.00 175.35 175.53 1bq4 s PRO 224 N -4.05 4.23 0.18 1.78 0.04 -1.26 -4.70 135.00 131.21 1bq4 s PRO 224 Ca 0.39 1.58 -0.33 0.00 0.04 0.00 0.00 61.00 62.68 1bq4 s PRO 224 Cb 0.06 -2.65 -0.15 0.00 0.04 0.00 0.00 34.50 31.81 1bq4 s PRO 224 CO 0.14 -0.10 1.26 -1.13 0.04 0.00 0.00 177.00 177.21 1bq4 n SER 225 N 0.13 1.81 -4.14 6.66 3.41 -1.26 -4.96 113.62 115.27 1bq4 n SER 225 Ca 0.04 1.14 -0.32 0.00 -0.26 0.00 0.00 58.87 59.47 1bq4 n SER 225 Cb 0.49 -1.28 -0.17 0.00 -0.26 0.00 0.00 64.21 62.99 1bq4 n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bq4 s TYR 226 N -0.05 2.51 0.51 7.33 1.13 -0.91 -4.98 117.35 122.90 1bq4 s TYR 226 Ca 0.73 -1.27 -0.20 0.00 -1.41 0.00 0.00 57.07 54.92 1bq4 s TYR 226 Cb -0.80 -1.73 -0.07 0.00 -1.10 0.00 0.00 41.96 38.25 1bq4 s TYR 226 CO 0.50 -0.60 1.06 0.71 -2.51 0.00 0.00 175.55 174.72 1bq4 s TYR 227 N 0.89 2.93 -2.01 -3.49 2.02 -1.26 -1.25 117.35 115.18 1bq4 s TYR 227 Ca -0.06 1.56 0.32 0.00 -0.37 0.00 0.00 57.07 58.52 1bq4 s TYR 227 Cb -0.15 -3.11 1.81 0.00 -0.40 0.00 0.00 41.96 40.11 1bq4 s TYR 227 CO -0.03 -1.02 2.17 1.28 -1.57 0.00 0.00 175.55 176.39 1bq4 n LEU 228 N -1.17 0.13 -3.31 -1.29 4.77 -1.10 -4.23 117.00 110.80 1bq4 n LEU 228 Ca 0.10 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1bq4 n LEU 228 Cb 0.52 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1bq4 n LEU 228 CO 0.41 0.02 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.79 1bq4 s ASP 229 N -2.04 0.33 0.03 -1.43 3.68 -1.26 -4.96 116.67 111.02 1bq4 s ASP 229 Ca 0.46 -1.25 -0.10 0.00 2.13 0.00 0.00 52.55 53.79 1bq4 s ASP 229 Cb 0.22 1.01 -0.04 0.00 -1.45 0.00 0.00 42.92 42.65 1bq4 s ASP 229 CO 0.37 -0.24 1.16 -0.65 0.13 0.00 0.00 175.17 175.94 1bq4 h PRO 230 N 7.14 -0.21 -0.11 4.34 0.11 -1.99 -2.26 132.00 139.01 1bq4 h PRO 230 Ca 0.04 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1bq4 h PRO 230 Cb 1.10 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bq4 h PRO 230 CO 0.18 -0.14 0.11 1.05 -0.21 0.00 0.00 178.00 178.99 1bq4 h GLU 231 N -0.22 0.00 -0.03 1.05 4.11 -1.97 -0.33 114.58 117.20 1bq4 h GLU 231 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 1bq4 h GLU 231 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1bq4 h GLU 231 CO -0.09 0.00 -0.70 0.00 0.07 0.00 0.00 179.01 178.30 1bq4 h ALA 232 N 1.88 0.12 -0.00 1.06 0.00 -1.94 -1.78 119.26 118.60 1bq4 h ALA 232 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1bq4 h ALA 232 Cb 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bq4 h ALA 232 CO -0.00 0.45 -0.54 0.00 0.00 0.00 0.00 179.25 179.16 1bq4 h ALA 233 N 0.38 1.10 -0.02 0.00 0.00 -0.71 -2.89 119.26 117.12 1bq4 h ALA 233 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bq4 h ALA 233 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bq4 h ALA 233 CO 0.14 0.68 -0.03 0.00 0.00 0.00 0.00 179.25 180.04 1bq4 n ALA 234 N -2.44 2.60 -0.43 0.00 0.00 -0.22 -4.85 120.51 115.17 1bq4 n ALA 234 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1bq4 n ALA 234 Cb 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1bq4 n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50