#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 3.63 0.07 -0.52 2.20 -1.25 -1.36 119.74 122.51 1bq4 s LYS 2 Ca 0.00 -0.53 0.09 0.00 -0.36 0.00 0.00 55.97 55.17 1bq4 s LYS 2 Cb 0.00 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 1bq4 s LYS 2 CO 0.00 0.14 -0.24 -1.17 -0.36 0.00 0.00 175.35 173.72 1bq4 s LEU 3 N 0.64 2.22 -0.06 5.43 2.96 -1.04 -0.63 118.68 128.19 1bq4 s LEU 3 Ca -0.02 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1bq4 s LEU 3 Cb -0.14 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1bq4 s LEU 3 CO 0.02 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.46 1bq4 s VAL 4 N -0.90 0.91 -0.10 1.68 1.01 0.12 -1.04 120.40 122.09 1bq4 s VAL 4 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1bq4 s VAL 4 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1bq4 s VAL 4 CO 0.03 0.31 -0.06 -0.76 0.00 0.00 0.00 175.10 174.62 1bq4 s LEU 5 N 0.86 3.17 -0.18 3.92 1.43 0.12 0.34 118.68 128.35 1bq4 s LEU 5 Ca -0.11 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1bq4 s LEU 5 Cb -0.15 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.41 1bq4 s LEU 5 CO 0.01 0.30 -0.01 -0.69 0.23 0.00 0.00 176.35 176.19 1bq4 s VAL 6 N -0.40 0.84 0.35 -1.59 1.01 -0.63 -0.62 120.40 119.36 1bq4 s VAL 6 Ca 0.06 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1bq4 s VAL 6 Cb -0.12 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 1bq4 s VAL 6 CO 0.02 -0.05 0.76 -0.60 0.00 0.00 0.00 175.10 175.23 1bq4 s ARG 7 N 1.73 3.94 0.47 2.72 3.52 -1.26 -3.16 118.95 126.91 1bq4 s ARG 7 Ca -0.01 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1bq4 s ARG 7 Cb -0.16 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1bq4 s ARG 7 CO -0.07 0.09 0.70 -3.38 -0.81 0.00 0.00 175.30 171.83 1bq4 s HIS 8 N -2.11 3.24 0.00 5.12 -3.43 -1.26 -2.27 115.29 114.57 1bq4 s HIS 8 Ca 0.54 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 1bq4 s HIS 8 Cb -0.10 -2.37 0.00 0.00 -1.43 0.00 0.00 32.58 28.68 1bq4 s HIS 8 CO 0.21 -0.42 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 1bq4 n GLY 9 N -2.15 0.92 3.66 -1.38 0.00 -1.26 -4.52 105.19 100.46 1bq4 n GLY 9 Ca 0.02 -1.96 -0.49 0.00 0.00 0.00 0.00 46.02 43.59 1bq4 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bq4 n GLN 10 N -0.77 1.89 -2.31 1.61 6.02 -1.26 -4.79 117.38 117.77 1bq4 n GLN 10 Ca 0.00 0.68 -0.26 0.00 -0.01 0.00 0.00 57.00 57.41 1bq4 n GLN 10 Cb 0.00 -2.45 0.15 0.00 1.02 0.00 0.00 30.24 28.96 1bq4 n GLN 10 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bq4 s SER 11 N 2.00 3.77 0.18 1.08 1.04 -1.26 -2.60 113.70 117.90 1bq4 s SER 11 Ca 0.86 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1bq4 s SER 11 Cb -0.77 -0.09 0.17 0.00 0.10 0.00 0.00 66.02 65.43 1bq4 s SER 11 CO 0.46 -2.27 1.74 -0.33 0.98 0.00 0.00 173.24 173.82 1bq4 h GLU 12 N -1.03 0.31 0.00 4.02 5.08 -0.93 -2.69 114.58 119.34 1bq4 h GLU 12 Ca -0.39 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1bq4 h GLU 12 Cb 1.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1bq4 h GLU 12 CO 0.38 0.21 -0.12 -1.49 -1.00 0.00 0.00 179.01 176.99 1bq4 h TRP 13 N 0.32 0.00 0.00 4.33 4.06 -1.92 -3.05 115.95 119.69 1bq4 h TRP 13 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1bq4 h TRP 13 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1bq4 h TRP 13 CO -0.17 0.12 0.00 -1.71 -3.56 0.00 0.00 178.44 173.11 1bq4 n ASN 14 N -3.53 0.00 -0.09 -3.49 2.85 -1.02 -2.36 115.26 107.63 1bq4 n ASN 14 Ca -0.01 0.20 -0.10 0.00 -0.11 0.00 0.00 54.58 54.56 1bq4 n ASN 14 Cb 0.26 -0.36 -0.13 0.00 1.24 0.00 0.00 39.78 40.79 1bq4 n ASN 14 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1bq4 n GLU 15 N -1.36 1.04 0.00 1.20 2.13 -1.15 -4.41 120.64 118.09 1bq4 n GLU 15 Ca 0.07 0.02 0.16 0.00 0.66 0.00 0.00 57.16 58.06 1bq4 n GLU 15 Cb 0.15 -1.44 0.88 0.00 0.27 0.00 0.00 31.44 31.29 1bq4 n GLU 15 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bq4 n LYS 16 N -2.75 1.10 -2.60 5.31 5.02 -0.99 -4.93 118.16 118.32 1bq4 n LYS 16 Ca -0.31 -0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 55.68 1bq4 n LYS 16 Cb 1.03 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.81 -4.49 -4.58 4.39 4.05 -1.12 -4.97 115.26 107.73 1bq4 n ASN 17 Ca 0.23 -0.13 -0.30 0.00 0.45 0.00 0.00 54.58 54.82 1bq4 n ASN 17 Cb 0.15 -3.45 -0.10 0.00 1.23 0.00 0.00 39.78 37.61 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 -4.39 3.06 0.06 1.20 1.43 -1.12 -1.49 118.68 117.42 1bq4 s LEU 18 Ca 0.14 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1bq4 s LEU 18 Cb -0.06 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1bq4 s LEU 18 CO 0.17 0.20 1.08 -0.36 0.23 0.00 0.00 176.35 177.66 1bq4 s PHE 19 N -1.18 3.58 -0.20 0.29 0.40 -0.77 -4.65 117.98 115.45 1bq4 s PHE 19 Ca 0.21 1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 57.91 1bq4 s PHE 19 Cb -0.11 -3.25 -0.07 0.00 0.51 0.00 0.00 43.02 40.10 1bq4 s PHE 19 CO 0.13 -0.55 -0.33 2.41 0.70 0.00 0.00 175.22 177.57 1bq4 n THR 20 N 3.61 1.50 0.00 0.64 -1.04 -1.26 -0.95 114.28 116.78 1bq4 n THR 20 Ca 0.06 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1bq4 n THR 20 Cb 0.48 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 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 1.42 4.15 0.36 3.41 0.00 -1.26 -1.47 105.19 111.80 1bq4 n GLY 21 Ca -0.22 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 12.97 0.18 -2.49 1.61 7.02 -1.26 -4.70 117.44 130.76 1bq4 n TRP 22 Ca 0.00 -0.09 -0.41 0.00 -1.02 0.00 0.00 57.50 55.98 1bq4 n TRP 22 Cb 0.00 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 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 -1.82 3.98 -1.43 -0.99 1.01 -0.54 -4.89 120.40 115.71 1bq4 s VAL 23 Ca 0.26 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.71 1bq4 s VAL 23 Cb 0.13 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1bq4 s VAL 23 CO 0.20 0.21 2.29 -0.67 0.00 0.00 0.00 175.10 177.13 1bq4 n ASP 24 N 3.01 5.59 -4.74 3.32 4.64 -1.26 -4.94 116.55 122.16 1bq4 n ASP 24 Ca 0.05 -2.90 -0.40 0.00 -1.38 0.00 0.00 54.79 50.16 1bq4 n ASP 24 Cb 0.46 -1.56 -0.05 0.00 -1.04 0.00 0.00 41.12 38.93 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 1.76 4.28 0.39 5.18 1.01 -1.26 -4.89 120.40 126.86 1bq4 s VAL 25 Ca 0.50 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 64.36 1bq4 s VAL 25 Cb 0.14 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1bq4 s VAL 25 CO -0.06 0.43 0.82 -1.59 0.00 0.00 0.00 175.10 174.70 1bq4 s LYS 26 N -0.69 4.01 0.83 2.72 -2.85 -1.26 -3.87 119.74 118.64 1bq4 s LYS 26 Ca 0.43 0.78 -0.11 0.00 -1.00 0.00 0.00 55.97 56.06 1bq4 s LYS 26 Cb -0.25 -2.33 0.10 0.00 -2.06 0.00 0.00 37.83 33.29 1bq4 s LYS 26 CO 0.30 0.03 1.14 -1.17 0.10 0.00 0.00 175.35 175.75 1bq4 s LEU 27 N -3.31 3.00 0.00 2.77 2.96 -1.26 -0.36 118.68 122.48 1bq4 s LEU 27 Ca 0.56 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1bq4 s LEU 27 Cb -0.10 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1bq4 s LEU 27 CO 0.20 -2.61 0.00 -1.54 -1.32 0.00 0.00 176.35 171.09 1bq4 n SER 28 N -3.72 1.06 -0.07 3.68 3.41 -1.07 -4.50 113.62 112.41 1bq4 n SER 28 Ca 0.11 -1.02 -0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1bq4 n SER 28 Cb 0.52 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.76 -0.23 -0.00 7.33 0.00 -1.96 0.31 119.26 125.47 1bq4 h ALA 29 Ca -0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1bq4 h ALA 29 Cb 0.01 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bq4 h ALA 29 CO 0.01 -0.74 -0.47 -0.22 0.00 0.00 0.00 179.25 177.83 1bq4 h LYS 30 N -0.30 0.01 -0.34 0.00 3.64 -1.96 -1.27 116.57 116.36 1bq4 h LYS 30 Ca 0.14 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1bq4 h LYS 30 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1bq4 h LYS 30 CO -0.45 0.48 0.16 0.78 -2.27 0.00 0.00 179.45 178.15 1bq4 h GLY 31 N 1.40 0.52 2.00 5.01 0.00 -1.38 -0.88 103.07 109.75 1bq4 h GLY 31 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1bq4 h GLY 31 CO 0.06 0.25 0.00 -1.06 0.00 0.00 0.00 176.54 175.79 1bq4 n GLN 32 N -4.75 0.02 -0.08 4.80 6.02 0.10 -3.08 117.38 120.42 1bq4 n GLN 32 Ca -0.01 0.21 -0.22 0.00 -0.01 0.00 0.00 57.00 56.97 1bq4 n GLN 32 Cb 0.11 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 1bq4 n GLN 32 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1bq4 h GLN 33 N 0.00 0.07 0.00 -1.09 4.20 -0.19 -3.36 115.11 114.73 1bq4 h GLN 33 Ca 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1bq4 h GLN 33 Cb 0.32 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1bq4 h GLN 33 CO 0.00 1.05 -0.10 0.93 -0.67 0.00 0.00 178.83 180.04 1bq4 h GLU 34 N -0.76 0.00 -0.47 1.46 5.08 -1.21 -2.38 114.58 116.30 1bq4 h GLU 34 Ca -0.35 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1bq4 h GLU 34 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1bq4 h GLU 34 CO -0.13 0.10 -0.15 0.00 -1.00 0.00 0.00 179.01 177.83 1bq4 h ALA 35 N 1.90 0.65 0.00 3.43 0.00 -1.73 -1.60 119.26 121.92 1bq4 h ALA 35 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1bq4 h ALA 35 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bq4 h ALA 35 CO 0.01 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 1bq4 h ALA 36 N 0.87 1.24 0.00 0.00 0.00 -1.58 -1.92 119.26 117.87 1bq4 h ALA 36 Ca 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1bq4 h ALA 36 Cb 0.71 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1bq4 h ALA 36 CO 0.05 0.37 -0.85 -0.09 0.00 0.00 0.00 179.25 178.74 1bq4 h ARG 37 N 0.00 0.00 -0.18 0.00 9.65 -1.19 -2.14 114.38 120.53 1bq4 h ARG 37 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.72 1bq4 h ARG 37 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1bq4 h ARG 37 CO 0.04 0.85 -0.49 0.00 2.80 0.00 0.00 179.97 183.16 1bq4 h ALA 38 N 1.15 0.30 -0.30 2.80 0.00 -1.04 -1.99 119.26 120.19 1bq4 h ALA 38 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1bq4 h ALA 38 Cb 1.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1bq4 h ALA 38 CO 0.11 0.47 0.16 0.78 0.00 0.00 0.00 179.25 180.77 1bq4 h GLY 39 N 0.33 0.46 1.05 0.00 0.00 -1.33 -1.98 103.07 101.59 1bq4 h GLY 39 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1bq4 h GLY 39 CO 0.11 0.20 0.46 0.83 0.00 0.00 0.00 176.54 178.14 1bq4 h GLU 40 N 0.37 1.23 -0.74 4.80 5.08 -1.40 -2.47 114.58 121.44 1bq4 h GLU 40 Ca 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1bq4 h GLU 40 Cb 0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1bq4 h GLU 40 CO -0.02 0.91 0.36 -0.07 -1.00 0.00 0.00 179.01 179.20 1bq4 h LEU 41 N 1.23 0.95 0.05 1.33 3.38 -1.14 -0.40 115.31 120.70 1bq4 h LEU 41 Ca 0.31 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1bq4 h LEU 41 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1bq4 h LEU 41 CO -0.05 0.79 -0.03 -0.07 0.09 0.00 0.00 178.44 179.18 1bq4 h LEU 42 N 1.05 -0.06 0.00 1.67 3.38 -1.10 -0.44 115.31 119.81 1bq4 h LEU 42 Ca 0.26 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bq4 h LEU 42 Cb 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bq4 h LEU 42 CO -0.03 0.27 -0.11 0.50 0.09 0.00 0.00 178.44 179.16 1bq4 h LYS 43 N -0.39 -0.18 0.22 1.13 3.64 -1.32 0.22 116.57 119.89 1bq4 h LYS 43 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1bq4 h LYS 43 Cb 0.35 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1bq4 h LYS 43 CO 0.01 -0.12 -0.39 0.93 -2.27 0.00 0.00 179.45 177.61 1bq4 h GLU 44 N -0.18 -0.63 0.00 1.90 5.08 -1.07 -1.04 114.58 118.63 1bq4 h GLU 44 Ca 0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1bq4 h GLU 44 Cb 0.23 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1bq4 h GLU 44 CO -0.11 -0.42 0.00 1.63 -1.00 0.00 0.00 179.01 179.11 1bq4 n LYS 45 N -4.74 0.59 -3.51 2.33 4.01 -0.18 -4.86 118.16 111.81 1bq4 n LYS 45 Ca -0.08 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.53 1bq4 n LYS 45 Cb 0.33 -1.19 0.06 0.00 -0.51 0.00 0.00 35.03 33.73 1bq4 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1bq4 n LYS 46 N -0.69 -4.66 -3.76 1.97 4.76 -0.39 -4.98 118.16 110.41 1bq4 n LYS 46 Ca 0.05 0.74 -0.37 0.00 -2.87 0.00 0.00 58.31 55.87 1bq4 n LYS 46 Cb 0.02 -5.47 -0.11 0.00 -1.84 0.00 0.00 35.03 27.63 1bq4 n LYS 46 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bq4 s VAL 47 N -3.48 3.38 -0.70 -0.18 1.01 0.65 -5.02 120.40 116.05 1bq4 s VAL 47 Ca 0.14 -1.99 -0.14 0.00 0.00 0.00 0.00 61.98 59.98 1bq4 s VAL 47 Cb -0.03 -3.29 0.18 0.00 0.00 0.00 0.00 36.38 33.24 1bq4 s VAL 47 CO 0.77 -0.67 0.64 -0.31 0.00 0.00 0.00 175.10 175.53 1bq4 s TYR 48 N 1.17 3.54 0.49 5.22 4.12 -1.26 -4.67 117.35 125.97 1bq4 s TYR 48 Ca 0.07 -1.73 -0.22 0.00 0.02 0.00 0.00 57.07 55.21 1bq4 s TYR 48 Cb -0.23 -3.79 -0.08 0.00 -1.52 0.00 0.00 41.96 36.34 1bq4 s TYR 48 CO -0.04 -1.00 0.96 -2.30 0.02 0.00 0.00 175.55 173.19 1bq4 n PRO 49 N 4.49 1.15 -0.01 -1.71 -0.02 -1.26 -4.76 135.00 132.88 1bq4 n PRO 49 Ca 0.02 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1bq4 n PRO 49 Cb 0.44 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.72 1bq4 n PRO 49 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bq4 n ASP 50 N 0.09 0.93 -3.49 2.55 8.00 0.39 -4.93 116.55 120.09 1bq4 n ASP 50 Ca 0.11 -0.13 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 1bq4 n ASP 50 Cb 0.43 1.70 -0.04 0.00 -0.02 0.00 0.00 41.12 43.18 1bq4 n ASP 50 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bq4 s VAL 51 N -3.15 0.00 -0.04 2.53 0.11 -1.15 -4.26 120.40 114.43 1bq4 s VAL 51 Ca -0.05 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1bq4 s VAL 51 Cb 0.12 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1bq4 s VAL 51 CO 0.73 0.00 -0.23 -0.22 -3.33 0.00 0.00 175.10 172.05 1bq4 s LEU 52 N -1.80 2.03 -0.08 2.54 2.96 0.11 -1.91 118.68 122.52 1bq4 s LEU 52 Ca -0.05 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1bq4 s LEU 52 Cb -0.00 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 1bq4 s LEU 52 CO 0.00 0.24 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.74 1bq4 s TYR 53 N -0.24 2.36 0.15 5.38 1.51 -0.30 0.29 117.35 126.50 1bq4 s TYR 53 Ca 0.00 -0.86 -0.00 0.00 -1.01 0.00 0.00 57.07 55.19 1bq4 s TYR 53 Cb -0.12 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1bq4 s TYR 53 CO 0.02 -0.33 0.06 0.95 -1.11 0.00 0.00 175.55 175.14 1bq4 s THR 54 N 0.20 0.22 0.00 -0.71 -4.23 -0.49 -1.16 115.64 109.47 1bq4 s THR 54 Ca -0.13 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1bq4 s THR 54 Cb -0.16 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1bq4 s THR 54 CO 0.06 -0.38 0.00 -1.54 -0.54 0.00 0.00 174.62 172.22 1bq4 n SER 55 N -0.16 -0.03 -0.52 3.99 3.41 -1.19 -2.49 113.62 116.63 1bq4 n SER 55 Ca -0.04 -0.10 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1bq4 n SER 55 Cb 0.64 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.13 2.29 -3.92 4.33 5.02 -1.24 -4.27 118.16 120.24 1bq4 n LYS 56 Ca 0.00 -2.63 -0.35 0.00 -2.02 0.00 0.00 58.31 53.31 1bq4 n LYS 56 Cb 0.00 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.27 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 -2.66 3.79 0.25 -0.35 1.43 -1.26 -5.01 118.68 114.87 1bq4 s LEU 57 Ca 0.35 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1bq4 s LEU 57 Cb 0.29 -1.98 0.41 0.00 0.03 0.00 0.00 46.19 44.94 1bq4 s LEU 57 CO 0.07 0.12 1.60 0.28 0.23 0.00 0.00 176.35 178.65 1bq4 h SER 58 N 7.09 -0.65 -1.09 2.29 0.02 -1.90 -1.98 113.55 117.34 1bq4 h SER 58 Ca -0.37 0.24 0.30 0.00 -0.84 0.00 0.00 61.79 61.12 1bq4 h SER 58 Cb 1.17 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 64.08 1bq4 h SER 58 CO 0.67 -0.26 0.70 0.08 -1.14 0.00 0.00 176.83 176.88 1bq4 h ARG 59 N 0.02 0.32 0.00 3.45 0.11 -1.93 0.13 114.38 116.48 1bq4 h ARG 59 Ca 0.42 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 60.24 1bq4 h ARG 59 Cb 0.69 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.65 1bq4 h ARG 59 CO -0.82 0.21 -1.67 0.00 0.10 0.00 0.00 179.97 177.79 1bq4 n ALA 60 N -2.49 1.71 -0.18 0.08 0.00 -0.77 -2.70 120.51 116.17 1bq4 n ALA 60 Ca 0.27 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1bq4 n ALA 60 Cb 0.98 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.67 1bq4 n ALA 60 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1bq4 h ILE 61 N 0.00 1.26 -0.35 0.00 2.04 -0.68 -2.34 117.51 117.44 1bq4 h ILE 61 Ca -0.26 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 1bq4 h ILE 61 Cb 1.83 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1bq4 h ILE 61 CO 0.06 0.42 0.13 -0.61 0.00 0.00 0.00 178.15 178.14 1bq4 h GLN 62 N 0.90 0.53 -0.29 2.37 4.15 -0.92 -0.43 115.11 121.43 1bq4 h GLN 62 Ca 0.16 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1bq4 h GLN 62 Cb 0.57 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1bq4 h GLN 62 CO 0.03 0.53 -0.03 1.15 -1.93 0.00 0.00 178.83 178.59 1bq4 h THR 63 N 0.42 0.76 -0.09 2.39 2.02 -1.37 0.13 112.91 117.17 1bq4 h THR 63 Ca 0.12 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1bq4 h THR 63 Cb 0.21 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1bq4 h THR 63 CO -0.01 0.01 0.05 0.00 0.37 0.00 0.00 175.52 175.94 1bq4 h ALA 64 N 1.26 0.12 -0.95 6.16 0.00 -1.22 0.51 119.26 125.14 1bq4 h ALA 64 Ca 0.14 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1bq4 h ALA 64 Cb 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1bq4 h ALA 64 CO -0.26 -0.34 0.61 -0.91 0.00 0.00 0.00 179.25 178.36 1bq4 h ASN 65 N 0.05 0.93 0.09 0.00 -0.26 -0.60 0.68 115.58 116.47 1bq4 h ASN 65 Ca 0.03 0.02 -0.14 0.00 -0.56 0.00 0.00 56.30 55.65 1bq4 h ASN 65 Cb 0.09 -0.18 0.02 0.00 -1.06 0.00 0.00 38.32 37.19 1bq4 h ASN 65 CO -0.00 0.57 -0.60 0.40 -1.06 0.00 0.00 177.43 176.73 1bq4 h ILE 66 N 1.04 1.56 -0.80 2.81 2.04 -0.50 -2.92 117.51 120.74 1bq4 h ILE 66 Ca 0.43 -2.42 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 1bq4 h ILE 66 Cb 0.29 3.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 1bq4 h ILE 66 CO -0.18 0.68 0.34 0.00 0.00 0.00 0.00 178.15 178.98 1bq4 h ALA 67 N 0.10 1.08 0.00 1.87 0.00 0.19 -1.66 119.26 120.84 1bq4 h ALA 67 Ca -0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1bq4 h ALA 67 Cb 1.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1bq4 h ALA 67 CO 0.11 0.66 -0.67 -0.07 0.00 0.00 0.00 179.25 179.29 1bq4 h LEU 68 N 1.16 0.00 -0.59 0.00 3.38 -1.03 -1.86 115.31 116.37 1bq4 h LEU 68 Ca 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 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 -0.03 0.46 0.01 -0.08 0.09 0.00 0.00 178.44 178.90 1bq4 h GLU 69 N 0.00 1.03 0.00 1.13 4.22 -1.30 -2.52 114.58 117.15 1bq4 h GLU 69 Ca -0.03 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.08 1bq4 h GLU 69 Cb 1.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1bq4 h GLU 69 CO 0.05 1.01 0.00 0.87 -2.18 0.00 0.00 179.01 178.77 1bq4 h LYS 70 N 0.93 0.00 0.00 1.92 1.79 -1.18 -3.17 116.57 116.86 1bq4 h LYS 70 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1bq4 h LYS 70 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1bq4 h LYS 70 CO 0.03 0.00 -0.82 0.00 -1.08 0.00 0.00 179.45 177.58 1bq4 n ALA 71 N -2.08 3.18 -0.78 3.86 0.00 -0.71 -4.54 120.51 119.44 1bq4 n ALA 71 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1bq4 n ALA 71 Cb 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.02 -0.82 -2.29 0.00 8.00 -0.97 -4.82 116.55 113.64 1bq4 n ASP 72 Ca 0.03 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 1bq4 n ASP 72 Cb 0.43 -0.14 0.10 0.00 -0.02 0.00 0.00 41.12 41.50 1bq4 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bq4 n ARG 73 N -2.27 2.62 -0.09 -1.24 1.74 -1.13 -4.66 116.66 111.63 1bq4 n ARG 73 Ca 0.00 -3.26 0.13 0.00 -0.77 0.00 0.00 57.85 53.95 1bq4 n ARG 73 Cb 0.00 -2.26 0.51 0.00 -1.02 0.00 0.00 32.46 29.69 1bq4 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bq4 h LEU 74 N 1.79 0.34 0.00 0.55 5.85 -1.86 -3.06 115.31 118.93 1bq4 h LEU 74 Ca 0.60 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.33 1bq4 h LEU 74 Cb 1.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1bq4 h LEU 74 CO 1.46 0.20 0.00 -2.67 -0.34 0.00 0.00 178.44 177.09 1bq4 n TRP 75 N -4.47 0.00 -2.10 1.25 4.27 -1.26 -4.94 117.44 110.19 1bq4 n TRP 75 Ca 0.10 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.36 1bq4 n TRP 75 Cb 0.41 -0.41 0.02 0.00 -1.36 0.00 0.00 31.31 29.98 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 -2.81 2.81 0.61 -1.67 -4.36 -1.16 -4.95 121.20 109.67 1bq4 s ILE 76 Ca 0.19 0.51 -0.18 0.00 -0.26 0.00 0.00 60.65 60.91 1bq4 s ILE 76 Cb 0.18 -3.21 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 1bq4 s ILE 76 CO 0.47 -0.11 1.04 -0.81 0.24 0.00 0.00 174.94 175.77 1bq4 n PRO 77 N -1.46 0.95 -4.22 0.37 -0.04 -1.26 -4.77 135.00 124.56 1bq4 n PRO 77 Ca 0.13 0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 63.69 1bq4 n PRO 77 Cb 0.50 -2.26 -0.17 0.00 -0.04 0.00 0.00 33.50 31.54 1bq4 n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bq4 s VAL 78 N -1.48 1.28 -0.00 0.52 0.11 -1.26 -0.71 120.40 118.85 1bq4 s VAL 78 Ca 0.77 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1bq4 s VAL 78 Cb -0.41 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 1bq4 s VAL 78 CO 0.45 0.40 -0.24 0.20 -3.33 0.00 0.00 175.10 172.58 1bq4 s ASN 79 N 1.25 2.86 0.02 3.54 0.01 0.15 -5.00 114.94 117.77 1bq4 s ASN 79 Ca -0.02 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 1bq4 s ASN 79 Cb -0.14 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 1bq4 s ASN 79 CO -0.04 0.28 -0.10 -0.13 -1.51 0.00 0.00 177.10 175.60 1bq4 s ARG 80 N -0.72 0.69 -0.08 -0.60 0.52 -1.26 -1.40 118.95 116.10 1bq4 s ARG 80 Ca 0.10 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 1bq4 s ARG 80 Cb -0.09 -0.62 0.04 0.00 0.52 0.00 0.00 34.95 34.80 1bq4 s ARG 80 CO -0.00 0.15 0.47 0.45 0.02 0.00 0.00 175.30 176.39 1bq4 s SER 81 N -0.88 -0.43 0.57 0.23 0.15 -1.04 -5.00 113.70 107.31 1bq4 s SER 81 Ca -0.01 0.57 0.36 0.00 0.70 0.00 0.00 55.95 57.57 1bq4 s SER 81 Cb -0.06 0.62 1.63 0.00 -1.71 0.00 0.00 66.02 66.50 1bq4 s SER 81 CO 0.00 -0.39 2.07 4.11 1.20 0.00 0.00 173.24 180.24 1bq4 h TRP 82 N 4.17 0.00 0.00 3.44 5.08 -1.89 -2.06 115.95 124.69 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 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1bq4 h TRP 82 CO 0.44 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.14 1bq4 n ARG 83 N -3.05 0.12 0.00 0.12 1.74 -1.26 -2.00 116.66 112.34 1bq4 n ARG 83 Ca -0.00 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1bq4 n ARG 83 Cb 0.24 -1.67 0.25 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.88 1.90 -4.42 0.55 4.77 -0.77 -4.28 117.00 112.86 1bq4 n LEU 84 Ca 0.05 -0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 55.11 1bq4 n LEU 84 Cb 0.32 -0.03 0.26 0.00 -2.33 0.00 0.00 43.42 41.64 1bq4 n LEU 84 CO 0.24 0.33 0.37 0.59 -1.33 0.00 0.00 177.39 177.59 1bq4 n ASN 85 N 0.22 -2.11 -4.87 -1.43 4.13 -0.84 -4.37 115.26 105.99 1bq4 n ASN 85 Ca 0.14 -0.25 -0.31 0.00 1.68 0.00 0.00 54.58 55.84 1bq4 n ASN 85 Cb 0.44 -1.20 0.01 0.00 -1.54 0.00 0.00 39.78 37.50 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 -4.30 3.52 0.35 3.52 2.56 -1.26 -4.25 118.70 118.83 1bq4 s GLU 86 Ca 0.67 0.70 -0.29 0.00 0.00 0.00 0.00 54.97 56.06 1bq4 s GLU 86 Cb -0.24 -2.08 -0.11 0.00 2.00 0.00 0.00 34.13 33.70 1bq4 s GLU 86 CO 0.65 -0.61 1.49 0.50 -0.56 0.00 0.00 175.26 176.73 1bq4 s ARG 87 N -5.18 4.15 0.20 4.30 3.00 -1.26 -4.68 118.95 119.48 1bq4 s ARG 87 Ca 0.55 2.52 -0.30 0.00 -1.00 0.00 0.00 55.73 57.50 1bq4 s ARG 87 Cb -0.11 -3.00 -0.08 0.00 0.00 0.00 0.00 34.95 31.76 1bq4 s ARG 87 CO 0.53 -0.51 1.02 -1.58 0.00 0.00 0.00 175.30 174.76 1bq4 s HIS 88 N -0.84 3.77 -0.78 5.12 5.65 -1.26 -4.19 115.29 122.75 1bq4 s HIS 88 Ca 0.55 1.77 0.16 0.00 0.25 0.00 0.00 55.06 57.79 1bq4 s HIS 88 Cb -0.46 -3.13 0.66 0.00 -1.18 0.00 0.00 32.58 28.47 1bq4 s HIS 88 CO 0.58 -0.08 1.57 0.66 -0.65 0.00 0.00 174.74 176.82 1bq4 n TYR 89 N 1.94 1.37 -0.00 3.88 4.01 -1.26 -2.97 117.16 124.13 1bq4 n TYR 89 Ca 0.00 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 1bq4 n TYR 89 Cb 0.47 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.67 2.56 0.72 2.72 0.00 -1.26 -0.51 105.19 110.09 1bq4 n GLY 90 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1bq4 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bq4 n ASP 91 N 1.00 1.36 -0.09 1.61 2.03 -0.55 -2.07 116.55 119.86 1bq4 n ASP 91 Ca 0.00 -1.44 0.02 0.00 0.52 0.00 0.00 54.79 53.89 1bq4 n ASP 91 Cb 0.00 -0.36 -0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1bq4 n ASP 91 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bq4 n LEU 92 N 0.36 0.79 -4.68 -2.67 4.32 0.34 -4.90 117.00 110.56 1bq4 n LEU 92 Ca 0.00 -0.76 -0.43 0.00 -0.02 0.00 0.00 56.01 54.81 1bq4 n LEU 92 Cb 0.26 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 1bq4 n LEU 92 CO 0.00 0.17 1.00 -1.10 -1.22 0.00 0.00 177.39 176.24 1bq4 s GLN 93 N -0.85 4.31 0.00 3.23 -0.21 -0.88 -2.54 119.66 122.72 1bq4 s GLN 93 Ca 0.03 1.67 0.00 0.00 0.02 0.00 0.00 55.36 57.08 1bq4 s GLN 93 Cb 0.03 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.41 1bq4 s GLN 93 CO 0.10 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.14 1bq4 n GLY 94 N 3.46 0.92 3.88 3.09 0.00 -0.12 -4.87 105.19 111.55 1bq4 n GLY 94 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.49 3.28 0.08 1.61 1.02 -1.05 -4.89 119.74 119.29 1bq4 s LYS 95 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1bq4 s LYS 95 Cb 0.00 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1bq4 s LYS 95 CO 0.00 0.57 1.02 0.34 -0.92 0.00 0.00 175.35 176.36 1bq4 s ASP 96 N -2.69 7.36 0.38 2.83 2.15 -1.26 -1.85 116.67 123.59 1bq4 s ASP 96 Ca 0.33 1.83 0.08 0.00 0.43 0.00 0.00 52.55 55.22 1bq4 s ASP 96 Cb -0.12 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 1bq4 s ASP 96 CO 0.26 -0.21 1.98 0.11 -0.17 0.00 0.00 175.17 177.15 1bq4 h LYS 97 N 6.06 0.63 0.08 4.34 1.57 -1.63 -0.86 116.57 126.77 1bq4 h LYS 97 Ca -0.42 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.06 1bq4 h LYS 97 Cb 1.21 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 33.41 1bq4 h LYS 97 CO 0.74 0.42 -1.06 0.00 -0.57 0.00 0.00 179.45 178.98 1bq4 h ALA 98 N 1.65 0.01 0.00 3.86 0.00 -1.94 -2.98 119.26 119.86 1bq4 h ALA 98 Ca 0.28 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1bq4 h ALA 98 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bq4 h ALA 98 CO -0.08 0.59 -0.02 0.93 0.00 0.00 0.00 179.25 180.66 1bq4 h GLU 99 N 0.15 0.00 -0.13 0.00 4.39 -1.92 -2.54 114.58 114.54 1bq4 h GLU 99 Ca -0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1bq4 h GLU 99 Cb 1.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1bq4 h GLU 99 CO 0.20 0.02 -0.13 1.15 -1.16 0.00 0.00 179.01 179.10 1bq4 h THR 100 N 0.00 1.35 -0.91 1.13 2.02 -1.18 -3.06 112.91 112.26 1bq4 h THR 100 Ca -0.00 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 65.97 1bq4 h THR 100 Cb 0.54 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.79 1bq4 h THR 100 CO 0.00 0.37 0.59 0.25 0.37 0.00 0.00 175.52 177.10 1bq4 h LEU 101 N -0.07 0.90 -1.17 2.58 5.85 -1.30 -1.14 115.31 120.96 1bq4 h LEU 101 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1bq4 h LEU 101 Cb 0.65 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1bq4 h LEU 101 CO 0.03 0.57 0.00 0.11 -0.34 0.00 0.00 178.44 178.81 1bq4 h LYS 102 N 1.02 0.00 0.03 1.25 1.57 -1.42 0.70 116.57 119.72 1bq4 h LYS 102 Ca 0.39 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.80 1bq4 h LYS 102 Cb 0.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1bq4 h LYS 102 CO -0.15 0.00 -2.27 1.17 -0.57 0.00 0.00 179.45 177.63 1bq4 n LYS 103 N -2.55 0.68 -0.11 3.15 4.81 -0.51 -4.75 118.16 118.89 1bq4 n LYS 103 Ca 0.01 0.16 -0.17 0.00 -0.87 0.00 0.00 58.31 57.44 1bq4 n LYS 103 Cb 0.22 -1.59 -0.09 0.00 0.02 0.00 0.00 35.03 33.58 1bq4 n LYS 103 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1bq4 n PHE 104 N -3.19 0.00 0.00 5.64 3.01 -0.74 -5.13 117.46 117.06 1bq4 n PHE 104 Ca -0.37 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.09 1bq4 n PHE 104 Cb 1.04 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1bq4 n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bq4 n GLY 105 N 2.30 1.89 0.36 1.37 0.00 0.23 -4.47 105.19 106.88 1bq4 n GLY 105 Ca -0.39 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 1bq4 n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bq4 h GLU 106 N 0.00 -0.21 0.09 1.61 4.57 -1.98 0.24 114.58 118.91 1bq4 h GLU 106 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1bq4 h GLU 106 Cb 0.00 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1bq4 h GLU 106 CO 0.00 -0.14 -0.27 1.49 -1.18 0.00 0.00 179.01 178.91 1bq4 h GLU 107 N -0.22 -0.39 0.00 1.92 4.81 -1.99 0.29 114.58 119.01 1bq4 h GLU 107 Ca 0.08 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1bq4 h GLU 107 Cb 0.44 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1bq4 h GLU 107 CO -0.58 -0.26 -0.00 -0.22 -0.73 0.00 0.00 179.01 177.21 1bq4 h LYS 108 N -0.41 0.00 0.17 1.92 1.63 -1.77 0.65 116.57 118.76 1bq4 h LYS 108 Ca -0.01 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.45 1bq4 h LYS 108 Cb 0.40 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1bq4 h LYS 108 CO -0.13 0.00 -1.71 0.35 -3.45 0.00 0.00 179.45 174.51 1bq4 h PHE 109 N 0.00 0.65 0.00 1.91 3.57 -0.36 -2.89 116.94 119.82 1bq4 h PHE 109 Ca -0.00 -0.48 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 1bq4 h PHE 109 Cb 0.13 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1bq4 h PHE 109 CO 0.00 1.67 -0.30 -0.91 -2.23 0.00 0.00 178.31 176.54 1bq4 h ASN 110 N 0.02 0.00 0.03 0.41 4.21 0.38 -2.11 115.58 118.52 1bq4 h ASN 110 Ca -0.34 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.16 1bq4 h ASN 110 Cb 2.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.23 1bq4 h ASN 110 CO 0.15 0.30 -0.01 0.74 -1.29 0.00 0.00 177.43 177.32 1bq4 h THR 111 N 0.00 1.43 0.00 2.81 2.02 -0.99 0.26 112.91 118.44 1bq4 h THR 111 Ca -0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1bq4 h THR 111 Cb 0.61 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1bq4 h THR 111 CO 0.04 0.40 0.00 1.88 0.37 0.00 0.00 175.52 178.21 1bq4 h TYR 112 N -0.77 0.00 0.00 3.16 0.05 -1.43 0.13 116.97 118.11 1bq4 h TYR 112 Ca -0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.41 1bq4 h TYR 112 Cb 0.69 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.36 1bq4 h TYR 112 CO 0.17 0.00 -2.37 0.54 -1.05 0.00 0.00 178.16 175.45 1bq4 n ARG 113 N -2.70 0.67 0.00 4.88 1.74 -0.80 -4.65 116.66 115.79 1bq4 n ARG 113 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1bq4 n ARG 113 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1bq4 n ARG 113 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bq4 n ARG 114 N -3.11 0.48 -1.83 5.56 1.74 0.89 -5.02 116.66 115.36 1bq4 n ARG 114 Ca -0.41 -0.84 -0.31 0.00 -0.77 0.00 0.00 57.85 55.52 1bq4 n ARG 114 Cb 0.99 -0.97 0.02 0.00 -1.02 0.00 0.00 32.46 31.48 1bq4 n ARG 114 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bq4 s SER 115 N -0.36 5.86 0.05 0.55 1.04 0.44 -4.90 113.70 116.38 1bq4 s SER 115 Ca 0.00 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.09 1bq4 s SER 115 Cb 0.00 -2.49 -0.22 0.00 0.10 0.00 0.00 66.02 63.40 1bq4 s SER 115 CO 0.00 -1.12 1.01 0.15 0.98 0.00 0.00 173.24 174.26 1bq4 h PHE 116 N -0.23 0.03 0.00 5.02 3.57 -1.87 -3.42 116.94 120.05 1bq4 h PHE 116 Ca -0.45 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1bq4 h PHE 116 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1bq4 h PHE 116 CO 0.63 1.03 0.00 -0.40 -2.23 0.00 0.00 178.31 177.34 1bq4 n ASP 117 N -3.24 1.15 -4.39 0.41 5.75 -1.26 -1.29 116.55 113.68 1bq4 n ASP 117 Ca -0.08 -1.30 -0.41 0.00 -0.01 0.00 0.00 54.79 52.99 1bq4 n ASP 117 Cb 0.99 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.97 1bq4 n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bq4 s VAL 118 N -0.30 4.72 0.45 2.12 1.01 -1.26 -4.95 120.40 122.19 1bq4 s VAL 118 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1bq4 s VAL 118 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1bq4 s VAL 118 CO 0.00 -0.28 0.86 -2.16 0.00 0.00 0.00 175.10 173.52 1bq4 s PRO 119 N 1.57 3.85 1.06 2.72 0.04 -1.26 -4.60 135.00 138.39 1bq4 s PRO 119 Ca 0.03 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1bq4 s PRO 119 Cb -0.20 -2.28 0.23 0.00 0.04 0.00 0.00 34.50 32.29 1bq4 s PRO 119 CO 0.07 -0.14 1.07 -2.14 0.04 0.00 0.00 177.00 175.90 1bq4 s PRO 120 N -3.94 -0.12 1.06 0.56 0.02 -1.25 -4.93 135.00 126.41 1bq4 s PRO 120 Ca 0.55 1.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.45 1bq4 s PRO 120 Cb -0.10 -1.64 0.21 0.00 0.02 0.00 0.00 34.50 32.99 1bq4 s PRO 120 CO 0.31 -3.23 0.94 -2.30 -0.33 0.00 0.00 177.00 172.39 1bq4 n PRO 121 N -4.59 -1.52 -1.94 5.54 -0.02 -1.26 -4.68 135.00 126.52 1bq4 n PRO 121 Ca 0.06 -0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 60.84 1bq4 n PRO 121 Cb 0.54 -2.19 0.16 0.00 -0.02 0.00 0.00 33.50 32.00 1bq4 n PRO 121 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1bq4 s PRO 122 N -4.36 0.94 -0.02 0.52 0.04 -1.26 -1.47 135.00 129.38 1bq4 s PRO 122 Ca 0.66 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 61.45 1bq4 s PRO 122 Cb -0.23 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1bq4 s PRO 122 CO 0.63 -2.22 -0.23 -1.50 0.04 0.00 0.00 177.00 173.72 1bq4 s ILE 123 N -3.81 1.79 0.05 0.56 2.07 -0.44 -3.32 121.20 118.10 1bq4 s ILE 123 Ca 0.71 -0.96 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 1bq4 s ILE 123 Cb -0.05 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 1bq4 s ILE 123 CO 0.52 0.51 1.03 -0.62 -1.91 0.00 0.00 174.94 174.47 1bq4 s ASP 124 N -0.49 7.32 0.53 4.50 -1.08 -1.26 -4.90 116.67 121.29 1bq4 s ASP 124 Ca 0.08 1.79 0.42 0.00 -0.52 0.00 0.00 52.55 54.32 1bq4 s ASP 124 Cb -0.09 -2.58 1.61 0.00 -1.46 0.00 0.00 42.92 40.40 1bq4 s ASP 124 CO -0.01 -0.27 1.67 0.00 0.52 0.00 0.00 175.17 177.08 1bq4 h ALA 125 N 6.45 3.40 -0.32 3.66 0.00 -1.98 0.17 119.26 130.64 1bq4 h ALA 125 Ca -0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1bq4 h ALA 125 Cb 1.22 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1bq4 h ALA 125 CO 0.76 -1.89 0.02 0.77 0.00 0.00 0.00 179.25 178.91 1bq4 h SER 126 N 0.03 0.44 -3.17 0.00 0.02 -1.94 -3.43 113.55 105.49 1bq4 h SER 126 Ca 0.78 -0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 61.10 1bq4 h SER 126 Cb 3.01 -0.11 0.19 0.00 0.14 0.00 0.00 62.40 65.63 1bq4 h SER 126 CO -0.08 0.49 -0.43 -0.24 -1.14 0.00 0.00 176.83 175.43 1bq4 n SER 127 N -4.31 -1.32 -0.17 3.07 2.88 0.59 -4.86 113.62 109.51 1bq4 n SER 127 Ca 0.01 0.59 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1bq4 n SER 127 Cb 0.22 -1.20 0.55 0.00 -0.75 0.00 0.00 64.21 63.02 1bq4 n SER 127 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bq4 n PRO 128 N -0.66 1.22 -0.22 -1.46 -0.04 -1.26 -3.52 135.00 129.06 1bq4 n PRO 128 Ca 0.10 -0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.31 1bq4 n PRO 128 Cb 0.50 -1.35 0.17 0.00 -0.04 0.00 0.00 33.50 32.78 1bq4 n PRO 128 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bq4 n PHE 129 N -0.48 0.44 -4.47 0.54 0.99 -1.26 -4.96 117.46 108.25 1bq4 n PHE 129 Ca 0.16 -0.83 -0.34 0.00 -0.00 0.00 0.00 57.45 56.44 1bq4 n PHE 129 Cb 0.15 -0.19 -0.13 0.00 -1.00 0.00 0.00 39.48 38.31 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 -2.04 4.53 0.00 4.37 0.15 -1.23 -4.86 113.70 114.62 1bq4 s SER 130 Ca 0.31 -0.21 0.21 0.00 0.70 0.00 0.00 55.95 56.97 1bq4 s SER 130 Cb 0.25 -1.73 1.15 0.00 -1.71 0.00 0.00 66.02 63.98 1bq4 s SER 130 CO 0.07 0.15 1.76 0.00 1.20 0.00 0.00 173.24 176.42 1bq4 n GLN 131 N 3.64 1.17 -1.68 5.44 3.00 -1.26 -4.90 117.38 122.78 1bq4 n GLN 131 Ca -0.18 -0.25 -0.44 0.00 -0.01 0.00 0.00 57.00 56.12 1bq4 n GLN 131 Cb 0.52 -1.35 -0.04 0.00 0.00 0.00 0.00 30.24 29.38 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 -0.57 2.57 -0.60 -1.09 4.81 -1.26 -0.30 118.16 121.72 1bq4 n LYS 132 Ca 0.16 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 1bq4 n LYS 132 Cb 0.13 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.38 1bq4 n LYS 132 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bq4 n GLY 133 N 4.12 0.79 3.77 3.14 0.00 -1.26 -5.02 105.19 110.73 1bq4 n GLY 133 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.92 6.60 0.28 1.61 1.11 0.59 -4.90 116.67 119.03 1bq4 s ASP 134 Ca 0.00 2.82 0.02 0.00 0.18 0.00 0.00 52.55 55.57 1bq4 s ASP 134 Cb 0.00 -2.65 0.63 0.00 1.07 0.00 0.00 42.92 41.96 1bq4 s ASP 134 CO 0.00 -0.68 1.75 -0.08 1.18 0.00 0.00 175.17 177.34 1bq4 h GLU 135 N 3.45 0.60 0.00 8.23 4.81 -1.95 -1.59 114.58 128.13 1bq4 h GLU 135 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1bq4 h GLU 135 Cb 1.23 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1bq4 h GLU 135 CO 0.67 0.40 0.00 2.89 -0.73 0.00 0.00 179.01 182.23 1bq4 n ARG 136 N -4.88 0.38 -0.33 1.92 1.85 -1.26 -1.83 116.66 112.51 1bq4 n ARG 136 Ca 0.20 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.09 1bq4 n ARG 136 Cb 0.51 -1.37 0.07 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.87 0.00 1.83 2.89 4.02 -0.60 -4.78 117.16 119.65 1bq4 n TYR 137 Ca 0.07 -0.48 0.14 0.00 -0.01 0.00 0.00 57.90 57.61 1bq4 n TYR 137 Cb 0.03 -0.10 0.81 0.00 -0.02 0.00 0.00 39.34 40.06 1bq4 n TYR 137 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1bq4 n LYS 138 N -0.65 0.91 -0.13 -0.72 2.85 -0.76 -3.32 118.16 116.35 1bq4 n LYS 138 Ca 0.08 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 1bq4 n LYS 138 Cb 0.68 -1.47 0.15 0.00 -0.65 0.00 0.00 35.03 33.74 1bq4 n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bq4 n TYR 139 N -0.97 0.01 -4.91 5.58 0.53 -1.26 -4.99 117.16 111.16 1bq4 n TYR 139 Ca 0.21 -1.05 -0.31 0.00 -1.02 0.00 0.00 57.90 55.73 1bq4 n TYR 139 Cb 0.09 -0.16 -0.14 0.00 -1.03 0.00 0.00 39.34 38.10 1bq4 n TYR 139 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1bq4 s VAL 140 N -2.91 2.60 -0.30 -0.72 1.01 -1.21 -5.06 120.40 113.81 1bq4 s VAL 140 Ca 0.33 -1.07 -0.38 0.00 0.00 0.00 0.00 61.98 60.85 1bq4 s VAL 140 Cb 0.29 -2.02 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 1bq4 s VAL 140 CO 0.02 0.47 1.96 -0.67 0.00 0.00 0.00 175.10 176.87 1bq4 n ASP 141 N 1.99 2.33 -0.28 3.32 2.03 -1.26 -4.83 116.55 119.86 1bq4 n ASP 141 Ca -0.16 0.79 0.15 0.00 0.52 0.00 0.00 54.79 56.08 1bq4 n ASP 141 Cb 0.52 -1.20 0.42 0.00 -0.72 0.00 0.00 41.12 40.13 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 9.53 0.58 -0.04 -0.67 0.11 -1.96 -1.61 132.00 137.94 1bq4 h PRO 142 Ca -0.37 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1bq4 h PRO 142 Cb 1.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bq4 h PRO 142 CO 0.99 0.39 0.03 -0.91 -0.21 0.00 0.00 178.00 178.29 1bq4 h ASN 143 N 0.60 0.00 1.29 -2.05 2.35 -2.02 -2.83 115.58 112.92 1bq4 h ASN 143 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1bq4 h ASN 143 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1bq4 h ASN 143 CO -0.23 0.00 -0.70 1.62 -1.65 0.00 0.00 177.43 176.47 1bq4 h VAL 144 N 0.00 0.00 -1.91 2.81 3.04 -1.67 -3.45 116.25 115.07 1bq4 h VAL 144 Ca 0.02 -0.98 -0.50 0.00 -1.01 0.00 0.00 66.70 64.22 1bq4 h VAL 144 Cb 0.08 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1bq4 h VAL 144 CO -0.00 0.00 1.48 -0.76 -1.01 0.00 0.00 177.57 177.28 1bq4 s LEU 145 N -5.57 3.38 0.44 3.16 1.02 -1.07 -4.93 118.68 115.11 1bq4 s LEU 145 Ca 0.02 0.91 -0.24 0.00 0.02 0.00 0.00 54.13 54.84 1bq4 s LEU 145 Cb 0.08 -2.73 -0.10 0.00 0.02 0.00 0.00 46.19 43.47 1bq4 s LEU 145 CO 0.75 -2.48 1.03 -0.81 0.02 0.00 0.00 176.35 174.86 1bq4 n PRO 146 N 8.98 1.35 -0.29 1.29 -0.04 -1.26 -4.94 135.00 140.10 1bq4 n PRO 146 Ca 0.28 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 64.32 1bq4 n PRO 146 Cb 0.52 -2.09 0.21 0.00 -0.04 0.00 0.00 33.50 32.10 1bq4 n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bq4 n GLU 147 N 0.02 2.30 0.00 0.54 1.02 -1.26 -4.96 120.64 118.30 1bq4 n GLU 147 Ca 0.10 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 1bq4 n GLU 147 Cb 0.40 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1bq4 n GLU 147 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1bq4 n THR 148 N -0.84 0.00 -3.64 2.62 5.66 -1.26 -1.32 114.28 115.51 1bq4 n THR 148 Ca 0.19 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1bq4 n THR 148 Cb 0.77 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.54 1bq4 n THR 148 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1bq4 s GLU 149 N -2.00 0.53 0.20 1.09 2.02 -1.16 -4.71 118.70 114.68 1bq4 s GLU 149 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.72 1bq4 s GLU 149 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 1bq4 s GLU 149 CO 0.00 -0.24 0.05 -1.54 0.02 0.00 0.00 175.26 173.55 1bq4 s SER 150 N -2.85 0.99 0.35 -0.19 1.04 -1.26 -3.97 113.70 107.81 1bq4 s SER 150 Ca 0.13 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.35 1bq4 s SER 150 Cb 0.03 0.18 0.66 0.00 0.10 0.00 0.00 66.02 66.99 1bq4 s SER 150 CO -0.03 -0.67 1.89 0.25 0.98 0.00 0.00 173.24 175.66 1bq4 h LEU 151 N 2.60 0.40 -0.50 2.42 5.85 -1.78 -0.47 115.31 123.84 1bq4 h LEU 151 Ca -0.37 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1bq4 h LEU 151 Cb 1.22 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1bq4 h LEU 151 CO 0.61 0.50 0.23 0.00 -0.34 0.00 0.00 178.44 179.44 1bq4 h ALA 152 N 1.55 0.63 -0.25 1.25 0.00 -1.56 -1.15 119.26 119.72 1bq4 h ALA 152 Ca 0.09 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1bq4 h ALA 152 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bq4 h ALA 152 CO 0.01 -0.14 -0.47 1.25 0.00 0.00 0.00 179.25 179.91 1bq4 h LEU 153 N 0.45 0.72 -0.10 0.00 5.85 -1.76 -2.65 115.31 117.81 1bq4 h LEU 153 Ca 0.23 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1bq4 h LEU 153 Cb 0.17 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1bq4 h LEU 153 CO -0.18 1.08 0.06 0.58 -0.34 0.00 0.00 178.44 179.64 1bq4 h VAL 154 N 0.53 1.06 -0.67 1.05 2.07 -0.27 -1.94 116.25 118.08 1bq4 h VAL 154 Ca 0.03 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1bq4 h VAL 154 Cb 1.02 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1bq4 h VAL 154 CO 0.10 0.05 0.44 0.40 0.02 0.00 0.00 177.57 178.58 1bq4 h ILE 155 N 0.10 1.11 -0.36 4.57 2.04 -1.21 -0.91 117.51 122.86 1bq4 h ILE 155 Ca 0.04 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 1bq4 h ILE 155 Cb 0.03 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1bq4 h ILE 155 CO -0.01 0.15 -0.31 0.44 0.00 0.00 0.00 178.15 178.42 1bq4 h ASP 156 N 0.82 0.82 1.25 1.72 3.45 -1.10 -0.70 116.42 122.67 1bq4 h ASP 156 Ca 0.26 -0.34 -0.12 0.00 0.43 0.00 0.00 57.03 57.26 1bq4 h ASP 156 Cb 0.03 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1bq4 h ASP 156 CO -0.07 1.07 -0.78 0.08 -1.57 0.00 0.00 179.24 177.96 1bq4 h ARG 157 N 0.66 0.00 0.01 3.56 -0.00 -1.06 -3.38 114.38 114.16 1bq4 h ARG 157 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.05 1bq4 h ARG 157 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.82 1bq4 h ARG 157 CO 0.07 0.45 -0.00 1.25 -0.00 0.00 0.00 179.97 181.75 1bq4 h LEU 158 N 0.00 -0.01 -0.89 0.08 6.46 -1.05 -3.39 115.31 116.51 1bq4 h LEU 158 Ca -0.05 -0.86 0.16 0.00 -0.12 0.00 0.00 57.88 57.01 1bq4 h LEU 158 Cb 1.45 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 41.22 1bq4 h LEU 158 CO 0.06 0.90 -0.28 0.18 -0.62 0.00 0.00 178.44 178.68 1bq4 n LEU 159 N -4.65 -0.43 0.04 2.25 4.77 -0.28 -1.32 117.00 117.38 1bq4 n LEU 159 Ca -0.09 1.54 0.19 0.00 -0.03 0.00 0.00 56.01 57.62 1bq4 n LEU 159 Cb 0.42 -0.42 0.69 0.00 -2.33 0.00 0.00 43.42 41.78 1bq4 n LEU 159 CO 0.31 -1.44 1.17 -0.65 -1.33 0.00 0.00 177.39 175.45 1bq4 h PRO 160 N 0.00 0.00 0.12 3.23 0.11 -1.80 0.49 132.00 134.14 1bq4 h PRO 160 Ca 0.38 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.22 1bq4 h PRO 160 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1bq4 h PRO 160 CO -0.90 0.00 -1.22 -0.92 -0.21 0.00 0.00 178.00 174.74 1bq4 h TYR 161 N 0.00 0.45 0.13 0.65 3.20 -1.44 -2.50 116.97 117.46 1bq4 h TYR 161 Ca 0.22 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1bq4 h TYR 161 Cb 0.88 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1bq4 h TYR 161 CO 0.00 1.26 -0.06 2.35 -1.64 0.00 0.00 178.16 180.06 1bq4 h TRP 162 N 0.07 -0.17 -0.18 -3.82 2.91 -0.86 0.23 115.95 114.12 1bq4 h TRP 162 Ca -0.12 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.95 1bq4 h TRP 162 Cb 1.95 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 30.60 1bq4 h TRP 162 CO 0.06 0.23 -0.24 1.96 -1.03 0.00 0.00 178.44 179.42 1bq4 h GLN 163 N -0.61 -0.27 0.02 2.65 4.20 -0.22 0.11 115.11 120.99 1bq4 h GLN 163 Ca -0.02 0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1bq4 h GLN 163 Cb 0.47 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1bq4 h GLN 163 CO 0.03 -0.18 -1.72 -0.25 -0.67 0.00 0.00 178.83 176.04 1bq4 n ASP 164 N -5.37 1.92 -0.10 1.46 10.43 -0.94 -4.47 116.55 119.48 1bq4 n ASP 164 Ca -0.02 0.35 -0.19 0.00 2.57 0.00 0.00 54.79 57.50 1bq4 n ASP 164 Cb 0.28 -0.89 -0.10 0.00 1.84 0.00 0.00 41.12 42.25 1bq4 n ASP 164 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1bq4 n VAL 165 N -4.22 1.51 0.07 2.53 0.31 -0.18 -3.79 118.33 114.56 1bq4 n VAL 165 Ca -0.38 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 1bq4 n VAL 165 Cb 0.79 -2.09 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 1bq4 n VAL 165 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1bq4 h ILE 166 N -1.00 1.02 -0.80 2.52 2.04 -0.62 -3.11 117.51 117.56 1bq4 h ILE 166 Ca -0.31 -0.52 0.17 0.00 1.00 0.00 0.00 64.86 65.19 1bq4 h ILE 166 Cb 1.19 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1bq4 h ILE 166 CO -0.19 0.13 0.54 0.00 0.00 0.00 0.00 178.15 178.62 1bq4 h ALA 167 N 0.47 2.20 -0.31 1.87 0.00 -0.99 -2.29 119.26 120.20 1bq4 h ALA 167 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1bq4 h ALA 167 Cb 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1bq4 h ALA 167 CO 0.02 -0.43 -0.08 -0.22 0.00 0.00 0.00 179.25 178.54 1bq4 h LYS 168 N 0.37 -0.00 -0.26 0.00 3.64 -1.63 0.76 116.57 119.45 1bq4 h LYS 168 Ca 0.40 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1bq4 h LYS 168 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1bq4 h LYS 168 CO -0.13 -0.00 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.57 1bq4 h ASP 169 N -0.00 0.49 0.07 4.20 3.45 -1.53 0.54 116.42 123.63 1bq4 h ASP 169 Ca 0.15 -0.35 0.01 0.00 0.43 0.00 0.00 57.03 57.26 1bq4 h ASP 169 Cb 0.23 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1bq4 h ASP 169 CO -0.32 0.73 -0.08 -0.07 -1.57 0.00 0.00 179.24 177.92 1bq4 h LEU 170 N 0.25 -0.22 -1.29 1.55 -0.00 -1.18 -1.93 115.31 112.48 1bq4 h LEU 170 Ca 0.07 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1bq4 h LEU 170 Cb 0.50 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1bq4 h LEU 170 CO 0.02 -0.13 -0.22 -0.07 -0.00 0.00 0.00 178.44 178.04 1bq4 h LEU 171 N -0.17 0.19 -2.44 1.67 3.38 0.60 -2.01 115.31 116.53 1bq4 h LEU 171 Ca 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1bq4 h LEU 171 Cb 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1bq4 h LEU 171 CO -0.04 0.43 -0.00 0.28 0.09 0.00 0.00 178.44 179.20 1bq4 h SER 172 N 0.18 0.00 0.00 -0.43 0.02 0.77 -3.46 113.55 110.64 1bq4 h SER 172 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1bq4 h SER 172 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1bq4 h SER 172 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 1bq4 n GLY 173 N -0.68 1.59 3.79 -3.77 0.00 -0.75 -5.06 105.19 100.31 1bq4 n GLY 173 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1bq4 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bq4 s LYS 174 N 0.00 2.54 -0.27 1.61 -0.14 -0.80 -4.81 119.74 117.87 1bq4 s LYS 174 Ca 0.00 1.09 -0.11 0.00 -1.36 0.00 0.00 55.97 55.59 1bq4 s LYS 174 Cb 0.00 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1bq4 s LYS 174 CO 0.00 -1.42 0.18 0.99 -0.76 0.00 0.00 175.35 174.34 1bq4 s THR 175 N -2.94 5.31 -0.12 2.17 2.01 -1.26 -3.96 115.64 116.83 1bq4 s THR 175 Ca 0.60 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.73 1bq4 s THR 175 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1bq4 s THR 175 CO 0.55 0.28 0.00 -0.69 -0.69 0.00 0.00 174.62 174.08 1bq4 s VAL 176 N 1.54 4.31 -0.18 3.82 1.01 0.20 0.15 120.40 131.25 1bq4 s VAL 176 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1bq4 s VAL 176 Cb -0.15 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1bq4 s VAL 176 CO 0.09 0.55 -0.11 -0.32 0.00 0.00 0.00 175.10 175.30 1bq4 s MET 177 N -0.30 3.29 0.03 2.72 1.75 -0.80 0.16 119.30 126.14 1bq4 s MET 177 Ca 0.06 -0.70 0.04 0.00 -1.25 0.00 0.00 55.69 53.84 1bq4 s MET 177 Cb -0.12 -2.76 -0.04 0.00 2.84 0.00 0.00 34.83 34.75 1bq4 s MET 177 CO 0.02 -0.04 -0.04 0.42 -0.65 0.00 0.00 175.02 174.73 1bq4 s ILE 178 N 0.99 3.82 -0.38 10.11 1.01 0.15 -1.15 121.20 135.75 1bq4 s ILE 178 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1bq4 s ILE 178 Cb -0.15 -2.72 0.14 0.00 0.01 0.00 0.00 42.46 39.74 1bq4 s ILE 178 CO -0.02 0.30 0.22 0.00 0.00 0.00 0.00 174.94 175.45 1bq4 s ALA 179 N -1.11 1.37 0.00 9.38 0.00 -0.31 -1.60 121.76 129.49 1bq4 s ALA 179 Ca 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1bq4 s ALA 179 Cb -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1bq4 s ALA 179 CO 0.11 -2.09 0.00 0.00 0.00 0.00 0.00 175.76 173.78 1bq4 n ALA 180 N 3.84 0.00 -3.70 0.00 0.00 -1.19 -3.18 120.51 116.29 1bq4 n ALA 180 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1bq4 n ALA 180 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1bq4 n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bq4 n HIS 181 N 0.00 -1.29 0.17 0.00 8.25 -1.26 -4.39 115.22 116.70 1bq4 n HIS 181 Ca 0.00 -1.59 -0.14 0.00 -0.26 0.00 0.00 57.72 55.73 1bq4 n HIS 181 Cb 0.00 0.43 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 1bq4 n HIS 181 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1bq4 h GLY 182 N 1.39 -0.43 0.37 -1.41 0.00 -1.95 -2.40 103.07 98.64 1bq4 h GLY 182 Ca -0.20 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1bq4 h GLY 182 CO 0.27 -0.16 -0.18 3.43 0.00 0.00 0.00 176.54 179.90 1bq4 h ASN 183 N -0.59 -0.42 -1.00 0.19 2.35 -1.98 0.06 115.58 114.19 1bq4 h ASN 183 Ca -0.04 0.01 0.25 0.00 -0.55 0.00 0.00 56.30 55.98 1bq4 h ASN 183 Cb 0.43 0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.78 1bq4 h ASN 183 CO 0.07 -0.29 0.59 0.77 -1.65 0.00 0.00 177.43 176.92 1bq4 h SER 184 N -0.54 0.65 0.72 5.81 4.64 -1.74 1.19 113.55 124.28 1bq4 h SER 184 Ca -0.05 0.14 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 1bq4 h SER 184 Cb 0.38 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1bq4 h SER 184 CO 0.08 0.07 -0.95 -0.07 -0.87 0.00 0.00 176.83 175.10 1bq4 h LEU 185 N 0.55 0.18 -0.23 5.97 3.38 -1.40 -0.66 115.31 123.10 1bq4 h LEU 185 Ca 0.65 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 58.25 1bq4 h LEU 185 Cb 1.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1bq4 h LEU 185 CO -0.49 1.02 -0.84 0.03 0.09 0.00 0.00 178.44 178.25 1bq4 h ARG 186 N 0.06 0.55 -0.47 1.13 3.08 0.26 -0.18 114.38 118.82 1bq4 h ARG 186 Ca -0.04 -0.50 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1bq4 h ARG 186 Cb 1.62 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 1bq4 h ARG 186 CO 0.14 1.13 0.15 0.78 -1.07 0.00 0.00 179.97 181.10 1bq4 h GLY 187 N 0.96 0.74 0.62 0.04 0.00 0.15 -0.11 103.07 105.46 1bq4 h GLY 187 Ca -0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1bq4 h GLY 187 CO 0.16 0.36 -0.20 -2.00 0.00 0.00 0.00 176.54 174.86 1bq4 h LEU 188 N 0.68 0.29 -1.24 3.11 5.85 -0.90 -3.17 115.31 119.93 1bq4 h LEU 188 Ca 0.16 -0.60 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1bq4 h LEU 188 Cb 0.20 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1bq4 h LEU 188 CO -0.01 0.84 0.53 0.58 -0.34 0.00 0.00 178.44 180.05 1bq4 h VAL 189 N -0.24 1.11 -0.50 1.05 2.07 -0.80 0.53 116.25 119.47 1bq4 h VAL 189 Ca -0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1bq4 h VAL 189 Cb 0.81 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1bq4 h VAL 189 CO 0.04 0.18 0.22 0.50 0.02 0.00 0.00 177.57 178.53 1bq4 h LYS 190 N 0.98 0.41 -0.05 1.57 3.64 -1.06 -1.18 116.57 120.88 1bq4 h LYS 190 Ca 0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1bq4 h LYS 190 Cb 0.08 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1bq4 h LYS 190 CO -0.10 0.27 -0.02 1.25 -2.27 0.00 0.00 179.45 178.58 1bq4 h HIS 191 N 0.43 0.12 -0.90 1.91 2.76 -1.22 0.18 115.15 118.43 1bq4 h HIS 191 Ca 0.23 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1bq4 h HIS 191 Cb 0.19 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 1bq4 h HIS 191 CO -0.13 0.48 0.57 -0.07 -1.30 0.00 0.00 177.93 177.49 1bq4 h LEU 192 N -0.27 0.92 -1.71 0.26 3.38 -0.76 -3.29 115.31 113.84 1bq4 h LEU 192 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bq4 h LEU 192 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1bq4 h LEU 192 CO 0.01 0.60 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 1bq4 n GLU 193 N -4.56 1.16 -1.43 1.13 1.02 -0.46 -4.50 120.64 112.99 1bq4 n GLU 193 Ca 0.13 -1.43 -0.02 0.00 -0.02 0.00 0.00 57.16 55.82 1bq4 n GLU 193 Cb 0.15 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.76 0.43 3.71 0.62 0.00 -0.01 -5.00 105.19 105.71 1bq4 n GLY 194 Ca 0.09 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1bq4 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq4 s ILE 195 N -2.08 2.67 0.39 -0.61 1.01 -0.82 -4.95 121.20 116.82 1bq4 s ILE 195 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.77 1bq4 s ILE 195 Cb 0.00 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.14 1bq4 s ILE 195 CO 0.00 0.02 1.20 -0.94 0.00 0.00 0.00 174.94 175.22 1bq4 s SER 196 N 1.64 6.55 0.16 3.58 1.04 -1.26 -4.83 113.70 120.58 1bq4 s SER 196 Ca 0.73 2.42 -0.01 0.00 0.48 0.00 0.00 55.95 59.56 1bq4 s SER 196 Cb -0.43 -2.62 0.36 0.00 0.10 0.00 0.00 66.02 63.42 1bq4 s SER 196 CO 0.32 -0.67 0.86 0.47 0.98 0.00 0.00 173.24 175.21 1bq4 n ASP 197 N 0.20 -0.11 -0.90 7.02 9.92 -1.26 0.95 116.55 132.37 1bq4 n ASP 197 Ca 0.04 0.94 0.12 0.00 -0.53 0.00 0.00 54.79 55.36 1bq4 n ASP 197 Cb 0.46 -0.32 0.24 0.00 -0.64 0.00 0.00 41.12 40.85 1bq4 n ASP 197 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bq4 n ALA 198 N -3.54 2.47 0.08 2.24 0.00 -1.26 -4.36 120.51 116.14 1bq4 n ALA 198 Ca 0.11 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.91 1bq4 n ALA 198 Cb 0.37 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 1bq4 n ALA 198 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bq4 n ASP 199 N 1.08 1.16 0.24 0.00 9.92 0.27 -4.70 116.55 124.52 1bq4 n ASP 199 Ca 0.17 -0.10 0.16 0.00 -0.53 0.00 0.00 54.79 54.49 1bq4 n ASP 199 Cb 0.53 1.67 0.76 0.00 -0.64 0.00 0.00 41.12 43.44 1bq4 n ASP 199 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1bq4 h ILE 200 N 0.00 0.00 -0.85 0.53 6.09 -1.69 -3.05 117.51 118.54 1bq4 h ILE 200 Ca 0.00 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 63.23 1bq4 h ILE 200 Cb 0.71 1.08 -0.04 0.00 0.47 0.00 0.00 36.82 39.04 1bq4 h ILE 200 CO 0.00 0.00 0.41 0.00 -3.07 0.00 0.00 178.15 175.49 1bq4 h ALA 201 N 2.06 1.10 0.00 0.18 0.00 -1.88 -2.77 119.26 117.95 1bq4 h ALA 201 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bq4 h ALA 201 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bq4 h ALA 201 CO 0.00 0.66 -0.02 0.87 0.00 0.00 0.00 179.25 180.76 1bq4 h LYS 202 N 1.21 0.00 -6.18 0.00 1.79 -1.89 -3.42 116.57 108.08 1bq4 h LYS 202 Ca 0.29 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.20 1bq4 h LYS 202 Cb 0.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1bq4 h LYS 202 CO -0.04 0.02 0.92 -1.17 -1.08 0.00 0.00 179.45 178.11 1bq4 s LEU 203 N -7.14 4.21 -0.10 2.94 2.96 -1.05 -5.02 118.68 115.49 1bq4 s LEU 203 Ca -0.04 1.79 -0.02 0.00 -0.22 0.00 0.00 54.13 55.64 1bq4 s LEU 203 Cb 0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1bq4 s LEU 203 CO 0.52 -0.78 -0.03 0.21 -1.32 0.00 0.00 176.35 174.95 1bq4 s ASN 204 N 2.18 4.95 -0.28 3.68 2.47 -1.26 -5.07 114.94 121.60 1bq4 s ASN 204 Ca 0.58 0.02 -0.04 0.00 0.42 0.00 0.00 52.86 53.84 1bq4 s ASN 204 Cb -0.24 -1.49 0.03 0.00 -1.45 0.00 0.00 41.25 38.10 1bq4 s ASN 204 CO 0.17 0.31 0.01 -0.63 -3.72 0.00 0.00 177.10 173.25 1bq4 s ILE 205 N -0.47 3.34 0.80 -5.21 1.01 -1.26 -5.08 121.20 114.33 1bq4 s ILE 205 Ca 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1bq4 s ILE 205 Cb -0.12 -2.77 0.07 0.00 0.01 0.00 0.00 42.46 39.65 1bq4 s ILE 205 CO 0.02 0.06 1.16 -2.65 0.00 0.00 0.00 174.94 173.53 1bq4 n PRO 206 N 4.74 0.20 -3.66 2.79 -0.02 -1.26 -4.99 135.00 132.80 1bq4 n PRO 206 Ca -0.15 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1bq4 n PRO 206 Cb 0.46 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 1bq4 n PRO 206 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1bq4 s THR 207 N -2.10 5.18 0.00 3.45 -4.23 -1.26 -4.33 115.64 112.35 1bq4 s THR 207 Ca 0.73 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1bq4 s THR 207 Cb -0.29 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1bq4 s THR 207 CO 0.51 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.51 1bq4 n GLY 208 N 0.95 2.27 3.57 3.99 0.00 -0.96 -4.94 105.19 110.06 1bq4 n GLY 208 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.80 4.28 0.21 -0.61 1.01 -1.26 -3.63 121.20 118.40 1bq4 s ILE 209 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1bq4 s ILE 209 Cb 0.00 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.50 1bq4 s ILE 209 CO 0.00 0.49 0.98 -2.16 0.00 0.00 0.00 174.94 174.25 1bq4 s PRO 210 N 0.24 4.77 -0.20 2.79 0.05 -1.26 -4.35 135.00 137.04 1bq4 s PRO 210 Ca 0.00 1.55 -0.01 0.00 0.05 0.00 0.00 61.00 62.58 1bq4 s PRO 210 Cb -0.13 -3.29 0.01 0.00 0.05 0.00 0.00 34.50 31.14 1bq4 s PRO 210 CO 0.02 0.37 -0.12 -1.17 0.05 0.00 0.00 177.00 176.15 1bq4 s LEU 211 N -0.89 2.53 -0.07 -3.56 0.20 0.20 -3.06 118.68 114.04 1bq4 s LEU 211 Ca 0.44 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.67 1bq4 s LEU 211 Cb -0.27 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1bq4 s LEU 211 CO 0.33 -0.02 0.10 -0.69 -0.29 0.00 0.00 176.35 175.78 1bq4 s VAL 212 N 1.38 5.00 0.07 1.68 1.01 -0.69 0.15 120.40 129.00 1bq4 s VAL 212 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1bq4 s VAL 212 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1bq4 s VAL 212 CO -0.08 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 174.92 1bq4 s PHE 213 N -1.07 2.13 -0.25 5.22 0.40 -0.20 -2.11 117.98 122.10 1bq4 s PHE 213 Ca 0.18 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1bq4 s PHE 213 Cb -0.12 -1.24 0.06 0.00 0.51 0.00 0.00 43.02 42.23 1bq4 s PHE 213 CO 0.08 0.17 -0.05 -1.21 0.70 0.00 0.00 175.22 174.91 1bq4 s GLU 214 N -1.45 1.67 0.06 0.44 2.02 -1.26 -2.51 118.70 117.67 1bq4 s GLU 214 Ca 0.11 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1bq4 s GLU 214 Cb -0.10 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1bq4 s GLU 214 CO 0.03 -0.64 0.20 -0.51 0.02 0.00 0.00 175.26 174.37 1bq4 s LEU 215 N 1.32 4.33 0.00 1.80 1.43 -0.46 0.11 118.68 127.21 1bq4 s LEU 215 Ca -0.04 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1bq4 s LEU 215 Cb -0.19 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.11 1bq4 s LEU 215 CO -0.07 0.17 0.08 -0.90 0.23 0.00 0.00 176.35 175.86 1bq4 n ASP 216 N 0.31 0.12 0.28 2.29 3.85 0.73 -3.50 116.55 120.63 1bq4 n ASP 216 Ca -0.05 -1.10 0.18 0.00 -0.71 0.00 0.00 54.79 53.11 1bq4 n ASP 216 Cb 0.51 -0.05 0.93 0.00 -1.35 0.00 0.00 41.12 41.16 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 0.00 -0.55 0.11 9.09 -2.00 -0.12 114.58 121.12 1bq4 h GLU 217 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1bq4 h GLU 217 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1bq4 h GLU 217 CO 0.03 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.18 1bq4 n ASN 218 N -3.31 3.18 -3.42 3.06 3.02 -1.26 -4.95 115.26 111.57 1bq4 n ASN 218 Ca -0.01 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 1bq4 n ASN 218 Cb 0.28 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.25 -2.30 -4.42 3.41 4.77 -0.06 -4.97 117.00 114.68 1bq4 n LEU 219 Ca 0.20 -0.47 -0.30 0.00 -0.03 0.00 0.00 56.01 55.41 1bq4 n LEU 219 Cb 0.51 -2.57 -0.13 0.00 -2.33 0.00 0.00 43.42 38.91 1bq4 n LEU 219 CO 0.14 0.30 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.43 1bq4 s LYS 220 N -6.10 1.71 0.25 3.23 -0.14 -1.26 -4.88 119.74 112.55 1bq4 s LYS 220 Ca 0.46 -1.19 -0.31 0.00 -1.36 0.00 0.00 55.97 53.57 1bq4 s LYS 220 Cb -0.22 -2.03 -0.14 0.00 -1.68 0.00 0.00 37.83 33.76 1bq4 s LYS 220 CO 0.56 0.49 1.32 -2.30 -0.76 0.00 0.00 175.35 174.66 1bq4 n PRO 221 N 1.15 1.86 -0.07 -1.68 -0.02 -1.26 -0.19 135.00 134.79 1bq4 n PRO 221 Ca -0.17 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 1bq4 n PRO 221 Cb 0.53 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 1bq4 n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bq4 n SER 222 N 1.83 0.42 -3.96 2.55 3.41 0.30 -4.71 113.62 113.46 1bq4 n SER 222 Ca 0.11 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1bq4 n SER 222 Cb 0.31 0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 1bq4 n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1bq4 s LYS 223 N -2.53 1.13 0.33 4.33 -2.85 -1.25 -5.07 119.74 113.83 1bq4 s LYS 223 Ca -0.09 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.42 1bq4 s LYS 223 Cb 0.07 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.10 1bq4 s LYS 223 CO 0.82 -0.41 1.35 -1.25 0.10 0.00 0.00 175.35 175.96 1bq4 s PRO 224 N -3.97 4.31 1.13 1.78 0.04 -1.26 -4.66 135.00 132.38 1bq4 s PRO 224 Ca 0.17 2.28 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 1bq4 s PRO 224 Cb 0.04 -3.06 0.16 0.00 0.04 0.00 0.00 34.50 31.68 1bq4 s PRO 224 CO -0.01 -0.27 0.31 -1.13 0.04 0.00 0.00 177.00 175.95 1bq4 n SER 225 N 0.86 -2.19 -3.65 6.66 3.41 -1.26 -4.93 113.62 112.52 1bq4 n SER 225 Ca 0.01 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1bq4 n SER 225 Cb 0.41 -1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.24 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 -2.29 -0.75 0.06 7.33 1.13 -0.90 -5.02 117.35 116.91 1bq4 s TYR 226 Ca 0.60 1.82 -0.17 0.00 -1.41 0.00 0.00 57.07 57.90 1bq4 s TYR 226 Cb -0.16 0.27 -0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1bq4 s TYR 226 CO 0.66 -0.36 0.52 0.71 -2.51 0.00 0.00 175.55 174.56 1bq4 s TYR 227 N 0.44 3.76 -1.97 -3.49 2.02 -1.26 -1.70 117.35 115.15 1bq4 s TYR 227 Ca -0.01 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 1bq4 s TYR 227 Cb -0.05 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1bq4 s TYR 227 CO -0.00 0.59 0.47 1.28 -1.57 0.00 0.00 175.55 176.32 1bq4 n LEU 228 N 1.64 0.01 -2.83 -1.29 4.77 -1.17 -3.56 117.00 114.57 1bq4 n LEU 228 Ca -0.11 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.83 1bq4 n LEU 228 Cb 0.51 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1bq4 n LEU 228 CO 0.40 0.00 0.11 -0.62 -1.33 0.00 0.00 177.39 175.95 1bq4 s ASP 229 N -1.49 -1.40 0.00 -1.43 -1.08 -1.26 -4.93 116.67 105.07 1bq4 s ASP 229 Ca 0.00 -1.64 0.12 0.00 -0.52 0.00 0.00 52.55 50.51 1bq4 s ASP 229 Cb 0.00 1.86 0.71 0.00 -1.46 0.00 0.00 42.92 44.03 1bq4 s ASP 229 CO 0.00 -0.07 1.13 -2.65 0.52 0.00 0.00 175.17 174.10 1bq4 n PRO 230 N 3.13 0.41 -0.13 4.34 -0.02 -1.23 -3.19 135.00 138.31 1bq4 n PRO 230 Ca 0.17 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 1bq4 n PRO 230 Cb 0.56 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.48 1bq4 n PRO 230 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1bq4 n GLU 231 N -0.95 0.59 0.00 -0.52 4.07 -1.26 -4.41 120.64 118.17 1bq4 n GLU 231 Ca 0.09 0.32 0.10 0.00 -0.06 0.00 0.00 57.16 57.60 1bq4 n GLU 231 Cb 0.04 -1.55 0.43 0.00 -0.06 0.00 0.00 31.44 30.30 1bq4 n GLU 231 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bq4 n ALA 232 N -4.00 1.92 0.12 4.31 0.00 -1.20 -3.33 120.51 118.33 1bq4 n ALA 232 Ca -0.49 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1bq4 n ALA 232 Cb 0.86 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 1bq4 n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq4 h ALA 233 N 2.69 -0.01 0.00 0.00 0.00 -1.76 -3.49 119.26 116.68 1bq4 h ALA 233 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1bq4 h ALA 233 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bq4 h ALA 233 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.11