#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 0.06 -0.09 0.54 2.20 -1.26 -0.38 119.74 120.81 1bq4 s LYS 2 Ca 0.00 0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.93 1bq4 s LYS 2 Cb 0.00 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1bq4 s LYS 2 CO 0.00 -0.14 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.46 1bq4 s LEU 3 N 0.96 2.01 -0.14 5.43 2.96 0.27 -2.27 118.68 127.89 1bq4 s LEU 3 Ca -0.08 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1bq4 s LEU 3 Cb -0.10 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1bq4 s LEU 3 CO -0.04 0.15 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 1bq4 s VAL 4 N 0.33 3.93 -0.08 1.68 1.01 -0.78 0.14 120.40 126.64 1bq4 s VAL 4 Ca -0.16 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1bq4 s VAL 4 Cb -0.17 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1bq4 s VAL 4 CO 0.07 0.52 -0.24 -0.76 0.00 0.00 0.00 175.10 174.69 1bq4 s LEU 5 N 0.07 2.06 -0.21 3.92 1.43 0.26 -1.26 118.68 124.94 1bq4 s LEU 5 Ca -0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1bq4 s LEU 5 Cb -0.13 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.79 1bq4 s LEU 5 CO 0.03 0.20 -0.05 -0.69 0.23 0.00 0.00 176.35 176.06 1bq4 s VAL 6 N 0.09 1.40 -0.01 -1.59 1.01 -0.40 0.20 120.40 121.11 1bq4 s VAL 6 Ca -0.11 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 1bq4 s VAL 6 Cb -0.16 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1bq4 s VAL 6 CO 0.06 -0.03 0.78 -0.60 0.00 0.00 0.00 175.10 175.31 1bq4 s ARG 7 N 1.47 4.49 0.58 2.72 3.52 -1.26 -3.03 118.95 127.43 1bq4 s ARG 7 Ca -0.04 1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 56.47 1bq4 s ARG 7 Cb -0.18 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1bq4 s ARG 7 CO -0.07 0.13 1.04 -3.38 -0.81 0.00 0.00 175.30 172.21 1bq4 s HIS 8 N 0.49 3.14 0.94 5.12 -3.43 -1.23 0.95 115.29 121.27 1bq4 s HIS 8 Ca 0.41 1.49 -0.16 0.00 -0.80 0.00 0.00 55.06 56.00 1bq4 s HIS 8 Cb -0.19 -2.93 0.23 0.00 -1.43 0.00 0.00 32.58 28.25 1bq4 s HIS 8 CO 0.22 -0.91 0.92 0.41 -2.00 0.00 0.00 174.74 173.37 1bq4 n GLY 9 N -1.25 -2.44 3.76 -1.38 0.00 -1.26 -4.59 105.19 98.03 1bq4 n GLY 9 Ca 0.08 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 1bq4 n GLY 9 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bq4 s GLN 10 N -5.06 3.33 0.63 1.61 -2.07 -1.26 -4.81 119.66 112.04 1bq4 s GLN 10 Ca 0.58 2.19 0.03 0.00 -1.82 0.00 0.00 55.36 56.34 1bq4 s GLN 10 Cb -0.05 -2.35 0.09 0.00 -1.09 0.00 0.00 33.01 29.62 1bq4 s GLN 10 CO 0.43 -1.02 0.87 -1.54 -1.32 0.00 0.00 175.29 172.71 1bq4 s SER 11 N -0.94 4.79 0.00 12.60 1.04 -1.26 -0.77 113.70 129.16 1bq4 s SER 11 Ca 0.68 -0.45 0.17 0.00 0.48 0.00 0.00 55.95 56.83 1bq4 s SER 11 Cb -0.39 -0.10 0.96 0.00 0.10 0.00 0.00 66.02 66.59 1bq4 s SER 11 CO 0.47 -1.53 1.43 -0.62 0.98 0.00 0.00 173.24 173.97 1bq4 n GLU 12 N -2.52 0.45 -0.05 4.02 1.02 -0.32 -2.76 120.64 120.49 1bq4 n GLU 12 Ca 0.14 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1bq4 n GLU 12 Cb 0.61 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1bq4 n GLU 12 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1bq4 n TRP 13 N -1.07 0.00 0.22 -0.32 7.02 -1.26 -3.85 117.44 118.18 1bq4 n TRP 13 Ca 0.11 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.69 1bq4 n TRP 13 Cb 0.08 -0.36 0.50 0.00 -2.42 0.00 0.00 31.31 29.10 1bq4 n TRP 13 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1bq4 n ASN 14 N -2.70 0.51 -0.07 -0.99 2.85 -1.13 -0.21 115.26 113.52 1bq4 n ASN 14 Ca -0.16 0.70 -0.11 0.00 -0.11 0.00 0.00 54.58 54.91 1bq4 n ASN 14 Cb 0.69 -0.78 -0.07 0.00 1.24 0.00 0.00 39.78 40.85 1bq4 n ASN 14 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1bq4 h GLU 15 N 0.00 0.00 0.00 1.20 5.08 -1.71 -3.33 114.58 115.82 1bq4 h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bq4 h GLU 15 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bq4 h GLU 15 CO 0.00 0.56 0.00 1.63 -1.00 0.00 0.00 179.01 180.20 1bq4 n LYS 16 N -4.60 0.81 -2.75 2.33 5.02 -0.93 -4.89 118.16 113.15 1bq4 n LYS 16 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1bq4 n LYS 16 Cb 0.38 -1.16 0.04 0.00 -0.02 0.00 0.00 35.03 34.27 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 -0.66 -2.29 -4.49 4.39 4.05 -0.28 -4.96 115.26 111.02 1bq4 n ASN 17 Ca 0.06 -0.30 -0.29 0.00 0.45 0.00 0.00 54.58 54.50 1bq4 n ASN 17 Cb 0.03 -2.80 -0.11 0.00 1.23 0.00 0.00 39.78 38.13 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 -4.16 2.70 0.06 1.20 1.43 0.70 -2.14 118.68 118.47 1bq4 s LEU 18 Ca 0.04 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1bq4 s LEU 18 Cb -0.02 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1bq4 s LEU 18 CO 0.36 0.17 1.05 -0.36 0.23 0.00 0.00 176.35 177.80 1bq4 s PHE 19 N -1.21 3.63 -0.22 0.29 2.99 -1.05 -4.27 117.98 118.14 1bq4 s PHE 19 Ca 0.18 1.61 -0.12 0.00 0.00 0.00 0.00 56.93 58.60 1bq4 s PHE 19 Cb -0.10 -3.20 -0.09 0.00 0.00 0.00 0.00 43.02 39.62 1bq4 s PHE 19 CO 0.10 -0.36 -0.30 2.41 -0.00 0.00 0.00 175.22 177.07 1bq4 n THR 20 N 3.46 1.29 0.00 0.64 -1.04 -1.26 -1.34 114.28 116.02 1bq4 n THR 20 Ca 0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1bq4 n THR 20 Cb 0.49 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 1.59 3.56 0.64 3.41 0.00 -1.26 -1.51 105.19 111.61 1bq4 n GLY 21 Ca -0.41 0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 11.48 0.17 -2.10 1.61 7.02 -1.26 -4.74 117.44 129.61 1bq4 n TRP 22 Ca 0.00 -0.09 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 1bq4 n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.83 3.50 -0.99 -0.99 1.01 -0.57 -4.84 120.40 115.69 1bq4 s VAL 23 Ca 0.34 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1bq4 s VAL 23 Cb 0.19 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1bq4 s VAL 23 CO 0.29 -0.02 2.16 -0.67 0.00 0.00 0.00 175.10 176.86 1bq4 n ASP 24 N 5.75 4.67 -4.77 3.32 4.64 -1.26 -4.88 116.55 124.02 1bq4 n ASP 24 Ca 0.15 -2.47 -0.39 0.00 -1.38 0.00 0.00 54.79 50.70 1bq4 n ASP 24 Cb 0.43 -1.18 -0.04 0.00 -1.04 0.00 0.00 41.12 39.28 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 3.66 3.51 0.33 5.18 1.01 -1.26 -4.81 120.40 128.02 1bq4 s VAL 25 Ca 0.47 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 1bq4 s VAL 25 Cb 0.12 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1bq4 s VAL 25 CO -0.00 0.22 1.02 -0.75 0.00 0.00 0.00 175.10 175.59 1bq4 s LYS 26 N -1.85 4.49 0.46 2.72 2.20 -1.26 -3.84 119.74 122.66 1bq4 s LYS 26 Ca 0.50 1.54 -0.24 0.00 -0.36 0.00 0.00 55.97 57.40 1bq4 s LYS 26 Cb -0.29 -2.87 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 1bq4 s LYS 26 CO 0.37 0.15 1.30 -1.17 -0.36 0.00 0.00 175.35 175.63 1bq4 s LEU 27 N -1.99 4.05 0.52 5.43 2.96 -1.26 -1.18 118.68 127.21 1bq4 s LEU 27 Ca 0.50 2.63 -0.03 0.00 -0.22 0.00 0.00 54.13 57.01 1bq4 s LEU 27 Cb -0.24 -4.10 0.00 0.00 0.50 0.00 0.00 46.19 42.35 1bq4 s LEU 27 CO 0.31 -1.11 0.79 -0.94 -1.32 0.00 0.00 176.35 174.07 1bq4 s SER 28 N -0.93 5.72 0.29 3.68 1.04 0.05 -4.56 113.70 119.00 1bq4 s SER 28 Ca 0.63 0.51 0.04 0.00 0.48 0.00 0.00 55.95 57.60 1bq4 s SER 28 Cb -0.37 -1.63 0.65 0.00 0.10 0.00 0.00 66.02 64.77 1bq4 s SER 28 CO 0.46 -0.88 1.80 0.00 0.98 0.00 0.00 173.24 175.60 1bq4 h ALA 29 N 0.11 1.59 -0.19 5.32 0.00 -1.94 0.40 119.26 124.54 1bq4 h ALA 29 Ca -0.46 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1bq4 h ALA 29 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bq4 h ALA 29 CO 0.59 0.07 -0.29 -0.22 0.00 0.00 0.00 179.25 179.40 1bq4 h LYS 30 N 0.86 0.38 0.00 0.00 3.64 -1.94 -3.20 116.57 116.30 1bq4 h LYS 30 Ca 0.54 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1bq4 h LYS 30 Cb 0.71 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1bq4 h LYS 30 CO -0.33 0.64 -1.09 0.78 -2.27 0.00 0.00 179.45 177.17 1bq4 h GLY 31 N 1.05 0.00 2.00 5.01 0.00 -0.46 -3.07 103.07 107.60 1bq4 h GLY 31 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1bq4 h GLY 31 CO 0.05 0.00 -0.23 1.46 0.00 0.00 0.00 176.54 177.82 1bq4 h GLN 32 N 0.00 0.00 -0.10 4.80 4.20 -0.97 -1.73 115.11 121.32 1bq4 h GLN 32 Ca -0.08 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 1bq4 h GLN 32 Cb 1.74 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.53 1bq4 h GLN 32 CO 0.10 0.23 -0.87 0.37 -0.67 0.00 0.00 178.83 177.99 1bq4 h GLN 33 N 0.00 0.74 0.00 1.46 4.15 -1.60 -2.30 115.11 117.55 1bq4 h GLN 33 Ca -0.00 -0.66 -0.03 0.00 0.77 0.00 0.00 58.65 58.72 1bq4 h GLN 33 Cb 0.43 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1bq4 h GLN 33 CO 0.03 1.26 -0.15 0.93 -1.93 0.00 0.00 178.83 178.97 1bq4 h GLU 34 N 0.48 0.00 -0.16 1.69 5.08 -1.39 0.54 114.58 120.81 1bq4 h GLU 34 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1bq4 h GLU 34 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1bq4 h GLU 34 CO 0.17 0.15 -0.18 0.00 -1.00 0.00 0.00 179.01 178.15 1bq4 h ALA 35 N 1.85 0.24 -0.44 3.43 0.00 -1.04 -1.40 119.26 121.89 1bq4 h ALA 35 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1bq4 h ALA 35 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1bq4 h ALA 35 CO 0.02 0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.64 1bq4 h ALA 36 N 0.61 0.57 -0.73 0.00 0.00 -0.94 -1.16 119.26 117.61 1bq4 h ALA 36 Ca 0.02 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1bq4 h ALA 36 Cb 0.73 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1bq4 h ALA 36 CO 0.04 0.13 0.42 -0.09 0.00 0.00 0.00 179.25 179.75 1bq4 h ARG 37 N 0.57 0.75 -0.41 0.00 9.65 -0.89 -0.30 114.38 123.75 1bq4 h ARG 37 Ca 0.15 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1bq4 h ARG 37 Cb 0.12 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 1bq4 h ARG 37 CO -0.02 0.49 0.14 0.00 2.80 0.00 0.00 179.97 183.38 1bq4 h ALA 38 N 1.37 0.48 0.05 2.80 0.00 -0.71 -2.76 119.26 120.48 1bq4 h ALA 38 Ca 0.32 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1bq4 h ALA 38 Cb 0.19 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1bq4 h ALA 38 CO -0.18 -0.25 -0.29 0.78 0.00 0.00 0.00 179.25 179.30 1bq4 h GLY 39 N 0.30 -0.50 2.00 0.00 0.00 0.17 -2.32 103.07 102.71 1bq4 h GLY 39 Ca 0.19 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 1bq4 h GLY 39 CO -0.20 -0.23 -0.01 0.83 0.00 0.00 0.00 176.54 176.93 1bq4 h GLU 40 N -0.47 0.00 0.00 4.80 4.39 -1.20 -1.80 114.58 120.31 1bq4 h GLU 40 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1bq4 h GLU 40 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1bq4 h GLU 40 CO -0.22 0.01 0.00 -0.07 -1.16 0.00 0.00 179.01 177.58 1bq4 h LEU 41 N 0.00 0.00 0.12 1.33 4.07 -1.14 -0.41 115.31 119.28 1bq4 h LEU 41 Ca -0.00 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.67 1bq4 h LEU 41 Cb 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1bq4 h LEU 41 CO 0.00 0.00 -1.38 -0.07 -1.08 0.00 0.00 178.44 175.91 1bq4 h LEU 42 N 0.00 0.40 -0.06 1.67 3.38 -1.22 -3.13 115.31 116.36 1bq4 h LEU 42 Ca 0.00 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1bq4 h LEU 42 Cb 0.97 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1bq4 h LEU 42 CO 0.00 1.39 -0.47 0.50 0.09 0.00 0.00 178.44 179.95 1bq4 h LYS 43 N 0.07 0.43 0.37 1.13 3.64 -1.51 -1.05 116.57 119.65 1bq4 h LYS 43 Ca -0.19 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1bq4 h LYS 43 Cb 1.99 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1bq4 h LYS 43 CO 0.18 1.02 -0.18 1.49 -2.27 0.00 0.00 179.45 179.70 1bq4 h GLU 44 N -0.03 -0.48 -0.80 1.90 4.81 -1.19 -2.99 114.58 115.80 1bq4 h GLU 44 Ca -0.04 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1bq4 h GLU 44 Cb 1.14 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 1bq4 h GLU 44 CO 0.10 -0.32 0.10 1.63 -0.73 0.00 0.00 179.01 179.78 1bq4 n LYS 45 N -5.31 3.09 -4.17 1.92 4.76 -1.18 -4.96 118.16 112.31 1bq4 n LYS 45 Ca -0.11 -1.98 -0.31 0.00 -2.87 0.00 0.00 58.31 53.04 1bq4 n LYS 45 Cb 0.22 -1.93 -0.06 0.00 -1.84 0.00 0.00 35.03 31.41 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 0.18 -1.47 -3.63 1.97 5.02 -1.10 -4.96 118.16 114.17 1bq4 n LYS 46 Ca 0.22 0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 56.31 1bq4 n LYS 46 Cb 0.94 -3.71 -0.11 0.00 -0.02 0.00 0.00 35.03 32.13 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 -4.15 4.87 -0.73 -0.18 1.01 -0.41 -5.05 120.40 115.75 1bq4 s VAL 47 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1bq4 s VAL 47 Cb -0.04 -3.42 0.19 0.00 0.00 0.00 0.00 36.38 33.11 1bq4 s VAL 47 CO 0.96 0.13 0.58 -0.31 0.00 0.00 0.00 175.10 176.47 1bq4 s TYR 48 N 1.67 3.59 0.07 5.22 4.12 -1.26 -4.59 117.35 126.17 1bq4 s TYR 48 Ca 0.06 -2.82 -0.30 0.00 0.02 0.00 0.00 57.07 54.03 1bq4 s TYR 48 Cb -0.17 -3.23 -0.09 0.00 -1.52 0.00 0.00 41.96 36.95 1bq4 s TYR 48 CO 0.08 -0.80 1.94 -2.14 0.02 0.00 0.00 175.55 174.65 1bq4 s PRO 49 N -0.57 4.14 0.03 -1.71 0.02 -1.26 -4.67 135.00 130.97 1bq4 s PRO 49 Ca 0.21 2.63 0.23 0.00 0.02 0.00 0.00 61.00 64.09 1bq4 s PRO 49 Cb -0.15 -4.00 0.03 0.00 0.02 0.00 0.00 34.50 30.41 1bq4 s PRO 49 CO -0.07 -0.93 1.03 -0.25 -0.33 0.00 0.00 177.00 176.45 1bq4 n ASP 50 N 7.00 0.65 -3.66 2.53 8.00 -0.20 -4.92 116.55 125.95 1bq4 n ASP 50 Ca 0.19 -0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.15 1bq4 n ASP 50 Cb 0.40 0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 42.24 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 -3.13 0.01 -0.02 2.53 0.11 -1.23 -4.20 120.40 114.45 1bq4 s VAL 51 Ca 0.05 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 1bq4 s VAL 51 Cb 0.15 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1bq4 s VAL 51 CO 0.81 -0.03 -0.11 -0.22 -3.33 0.00 0.00 175.10 172.22 1bq4 s LEU 52 N -0.18 2.94 -0.04 2.54 2.96 -0.23 -1.75 118.68 124.92 1bq4 s LEU 52 Ca -0.04 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1bq4 s LEU 52 Cb -0.03 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1bq4 s LEU 52 CO 0.03 0.31 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.94 1bq4 s TYR 53 N -0.87 1.34 0.12 5.38 1.51 0.83 -1.26 117.35 124.41 1bq4 s TYR 53 Ca 0.14 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1bq4 s TYR 53 Cb -0.11 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1bq4 s TYR 53 CO 0.04 -0.18 0.07 0.25 -1.11 0.00 0.00 175.55 174.62 1bq4 n THR 54 N 3.45 0.00 -3.15 -0.71 -2.24 -0.36 -0.71 114.28 110.57 1bq4 n THR 54 Ca -0.20 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1bq4 n THR 54 Cb 0.53 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.31 1.54 -1.29 3.42 3.41 -1.25 -2.24 113.62 114.89 1bq4 n SER 55 Ca 0.01 -0.38 0.10 0.00 -0.26 0.00 0.00 58.87 58.34 1bq4 n SER 55 Cb 0.19 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.09 2.74 -3.31 4.33 5.02 -1.25 -4.28 118.16 121.32 1bq4 n LYS 56 Ca 0.00 -2.46 -0.39 0.00 -2.02 0.00 0.00 58.31 53.45 1bq4 n LYS 56 Cb 0.00 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.14 4.14 0.64 -0.35 1.43 -1.26 -4.93 118.68 117.21 1bq4 s LEU 57 Ca 0.45 0.58 0.28 0.00 -1.03 0.00 0.00 54.13 54.41 1bq4 s LEU 57 Cb 0.25 -2.61 1.48 0.00 0.03 0.00 0.00 46.19 45.33 1bq4 s LEU 57 CO 0.29 -0.15 1.85 0.28 0.23 0.00 0.00 176.35 178.86 1bq4 h SER 58 N 7.49 0.00 0.48 2.29 0.02 -1.87 -1.62 113.55 120.35 1bq4 h SER 58 Ca -0.34 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.45 1bq4 h SER 58 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1bq4 h SER 58 CO 0.72 0.00 -0.69 0.08 -1.14 0.00 0.00 176.83 175.81 1bq4 h ARG 59 N 0.00 0.18 0.19 3.45 0.11 -1.92 -2.65 114.38 113.75 1bq4 h ARG 59 Ca 0.07 -0.14 -0.31 0.00 0.10 0.00 0.00 59.98 59.70 1bq4 h ARG 59 Cb 0.92 0.03 0.02 0.00 1.11 0.00 0.00 29.97 32.05 1bq4 h ARG 59 CO -0.00 0.80 -1.37 0.00 0.10 0.00 0.00 179.97 179.50 1bq4 h ALA 60 N 1.16 -0.04 0.34 0.08 0.00 -1.63 -3.09 119.26 116.08 1bq4 h ALA 60 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 1bq4 h ALA 60 Cb 1.23 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1bq4 h ALA 60 CO 0.10 0.83 -0.26 0.82 0.00 0.00 0.00 179.25 180.75 1bq4 h ILE 61 N 0.11 0.46 -0.77 0.00 2.04 -1.43 -2.81 117.51 115.10 1bq4 h ILE 61 Ca -0.20 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.84 1bq4 h ILE 61 Cb 2.08 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 38.50 1bq4 h ILE 61 CO 0.24 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 178.00 1bq4 h GLN 62 N -0.60 0.29 -0.91 2.37 4.15 -1.59 -1.36 115.11 117.46 1bq4 h GLN 62 Ca -0.03 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1bq4 h GLN 62 Cb 0.52 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 1bq4 h GLN 62 CO -0.01 0.19 0.58 1.15 -1.93 0.00 0.00 178.83 178.81 1bq4 h THR 63 N 0.30 1.08 0.15 2.39 2.02 -1.41 0.20 112.91 117.63 1bq4 h THR 63 Ca 0.45 -0.37 -0.28 0.00 0.77 0.00 0.00 66.41 66.98 1bq4 h THR 63 Cb 0.78 -0.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1bq4 h THR 63 CO -0.52 0.20 -1.17 0.00 0.37 0.00 0.00 175.52 174.39 1bq4 h ALA 64 N 1.41 -0.05 0.67 6.16 0.00 -1.21 -2.15 119.26 124.08 1bq4 h ALA 64 Ca 0.39 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1bq4 h ALA 64 Cb 0.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bq4 h ALA 64 CO -0.16 0.61 -0.36 -0.91 0.00 0.00 0.00 179.25 178.43 1bq4 h ASN 65 N 0.11 -0.87 -0.06 0.00 -0.26 -0.96 0.61 115.58 114.16 1bq4 h ASN 65 Ca -0.19 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.61 1bq4 h ASN 65 Cb 1.88 0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 39.38 1bq4 h ASN 65 CO 0.22 -0.58 0.05 0.40 -1.06 0.00 0.00 177.43 176.47 1bq4 h ILE 66 N -0.94 0.68 0.19 2.81 2.04 -0.74 -2.86 117.51 118.69 1bq4 h ILE 66 Ca -0.09 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.44 1bq4 h ILE 66 Cb 0.74 0.96 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1bq4 h ILE 66 CO 0.12 0.00 -1.64 0.00 0.00 0.00 0.00 178.15 176.63 1bq4 h ALA 67 N 1.95 0.10 0.00 1.87 0.00 -0.56 -3.30 119.26 119.32 1bq4 h ALA 67 Ca 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 1bq4 h ALA 67 Cb 0.14 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bq4 h ALA 67 CO -0.00 0.93 -0.07 -0.07 0.00 0.00 0.00 179.25 180.04 1bq4 h LEU 68 N 0.04 0.00 -0.53 0.00 3.38 0.24 -2.27 115.31 116.18 1bq4 h LEU 68 Ca -0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1bq4 h LEU 68 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1bq4 h LEU 68 CO 0.18 0.07 0.21 -0.08 0.09 0.00 0.00 178.44 178.90 1bq4 h GLU 69 N 0.00 0.79 0.00 1.13 4.22 -1.60 -1.51 114.58 117.62 1bq4 h GLU 69 Ca -0.00 -0.15 -0.06 0.00 0.08 0.00 0.00 59.36 59.23 1bq4 h GLU 69 Cb 0.61 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1bq4 h GLU 69 CO 0.01 0.70 -0.27 0.87 -2.18 0.00 0.00 179.01 178.14 1bq4 h LYS 70 N 0.72 0.00 -0.01 1.92 1.79 -1.57 -2.83 116.57 116.59 1bq4 h LYS 70 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1bq4 h LYS 70 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1bq4 h LYS 70 CO -0.01 0.27 -0.23 0.00 -1.08 0.00 0.00 179.45 178.40 1bq4 n ALA 71 N -2.25 3.02 -0.96 3.86 0.00 -0.88 -4.47 120.51 118.83 1bq4 n ALA 71 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1bq4 n ALA 71 Cb 0.45 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.82 -3.92 -2.36 0.00 10.43 -0.68 -4.83 116.55 114.37 1bq4 n ASP 72 Ca 0.12 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.14 1bq4 n ASP 72 Cb 0.33 -2.02 0.07 0.00 1.84 0.00 0.00 41.12 41.33 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 -0.99 2.83 -0.09 -1.24 1.74 -0.66 -4.79 116.66 113.45 1bq4 n ARG 73 Ca 0.00 -3.45 -0.06 0.00 -0.77 0.00 0.00 57.85 53.57 1bq4 n ARG 73 Cb 0.23 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 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 2.14 -0.20 -0.86 0.55 3.38 -1.89 -3.29 115.31 115.14 1bq4 h LEU 74 Ca 0.57 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1bq4 h LEU 74 Cb 0.82 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1bq4 h LEU 74 CO 1.47 -0.06 0.66 4.11 0.09 0.00 0.00 178.44 184.70 1bq4 h TRP 75 N 0.05 0.00 -4.14 1.13 5.08 -1.93 -3.47 115.95 112.68 1bq4 h TRP 75 Ca 0.16 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.60 1bq4 h TRP 75 Cb 0.23 0.00 0.13 0.00 -3.00 0.00 0.00 29.16 26.52 1bq4 h TRP 75 CO -0.26 0.00 0.44 0.96 -1.28 0.00 0.00 178.44 178.30 1bq4 s ILE 76 N -3.90 2.50 0.39 0.12 -4.36 -1.24 -4.97 121.20 109.74 1bq4 s ILE 76 Ca -0.01 0.28 -0.26 0.00 -0.26 0.00 0.00 60.65 60.40 1bq4 s ILE 76 Cb 0.04 -2.97 -0.11 0.00 1.25 0.00 0.00 42.46 40.67 1bq4 s ILE 76 CO 0.12 -0.10 1.18 -2.65 0.24 0.00 0.00 174.94 173.72 1bq4 n PRO 77 N -2.14 1.75 -4.00 0.37 -0.02 -1.26 -4.78 135.00 124.92 1bq4 n PRO 77 Ca 0.13 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 1bq4 n PRO 77 Cb 0.50 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.18 0.51 -0.13 -1.45 0.11 -1.26 -1.07 120.40 115.93 1bq4 s VAL 78 Ca 0.60 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1bq4 s VAL 78 Cb -0.55 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1bq4 s VAL 78 CO 0.59 0.25 -0.19 0.20 -3.33 0.00 0.00 175.10 172.61 1bq4 s ASN 79 N 1.35 3.38 -0.06 3.54 -0.87 -0.39 -5.03 114.94 116.87 1bq4 s ASN 79 Ca -0.04 -0.52 0.03 0.00 -1.57 0.00 0.00 52.86 50.76 1bq4 s ASN 79 Cb -0.13 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1bq4 s ASN 79 CO -0.02 0.12 -0.13 -0.13 -2.57 0.00 0.00 177.10 174.36 1bq4 s ARG 80 N 0.62 2.60 -0.18 -0.60 0.52 -1.26 -1.22 118.95 119.43 1bq4 s ARG 80 Ca -0.11 -0.67 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 1bq4 s ARG 80 Cb -0.16 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 32.94 1bq4 s ARG 80 CO 0.03 0.60 0.43 0.45 0.02 0.00 0.00 175.30 176.83 1bq4 s SER 81 N -0.67 -0.54 0.50 0.23 0.15 -0.95 -4.93 113.70 107.50 1bq4 s SER 81 Ca 0.10 0.95 0.33 0.00 0.70 0.00 0.00 55.95 58.03 1bq4 s SER 81 Cb -0.11 0.86 1.45 0.00 -1.71 0.00 0.00 66.02 66.51 1bq4 s SER 81 CO 0.01 -0.20 1.75 4.11 1.20 0.00 0.00 173.24 180.11 1bq4 h TRP 82 N 7.19 0.23 0.00 3.44 5.08 -1.89 -0.43 115.95 129.56 1bq4 h TRP 82 Ca -0.35 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.63 1bq4 h TRP 82 Cb 1.18 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1bq4 h TRP 82 CO 0.23 -0.01 0.00 0.00 -1.28 0.00 0.00 178.44 177.38 1bq4 h ARG 83 N 0.11 0.00 -0.01 0.12 3.08 -1.95 -1.40 114.38 114.32 1bq4 h ARG 83 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1bq4 h ARG 83 Cb 2.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.35 1bq4 h ARG 83 CO -0.13 0.00 -0.12 1.28 -1.07 0.00 0.00 179.97 179.93 1bq4 n LEU 84 N -3.08 1.47 -4.28 3.04 4.77 -0.17 -4.20 117.00 114.54 1bq4 n LEU 84 Ca -0.01 -0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 55.18 1bq4 n LEU 84 Cb 0.22 -0.04 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1bq4 n LEU 84 CO 0.25 0.25 -0.57 0.59 -1.33 0.00 0.00 177.39 176.58 1bq4 n ASN 85 N -0.04 -2.39 -4.90 -1.43 4.13 -0.53 -4.24 115.26 105.85 1bq4 n ASN 85 Ca 0.16 -0.08 -0.28 0.00 1.68 0.00 0.00 54.58 56.05 1bq4 n ASN 85 Cb 0.38 -0.96 0.02 0.00 -1.54 0.00 0.00 39.78 37.68 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 -3.40 3.17 0.28 3.52 2.56 -1.26 -4.34 118.70 119.23 1bq4 s GLU 86 Ca 0.55 0.24 -0.30 0.00 0.00 0.00 0.00 54.97 55.46 1bq4 s GLU 86 Cb -0.12 -2.23 -0.12 0.00 2.00 0.00 0.00 34.13 33.67 1bq4 s GLU 86 CO 0.66 -0.61 1.63 0.50 -0.56 0.00 0.00 175.26 176.87 1bq4 s ARG 87 N -5.02 4.11 -0.12 4.30 3.00 -1.26 -4.72 118.95 119.24 1bq4 s ARG 87 Ca 0.53 2.60 -0.29 0.00 -1.00 0.00 0.00 55.73 57.57 1bq4 s ARG 87 Cb -0.11 -3.03 -0.03 0.00 0.00 0.00 0.00 34.95 31.79 1bq4 s ARG 87 CO 0.48 -0.67 1.42 -1.58 0.00 0.00 0.00 175.30 174.95 1bq4 s HIS 88 N 0.21 2.50 -2.00 5.12 5.65 -1.26 -4.28 115.29 121.23 1bq4 s HIS 88 Ca 0.66 0.68 0.21 0.00 0.25 0.00 0.00 55.06 56.85 1bq4 s HIS 88 Cb -0.48 -3.67 1.26 0.00 -1.18 0.00 0.00 32.58 28.50 1bq4 s HIS 88 CO 0.45 -2.58 1.78 0.66 -0.65 0.00 0.00 174.74 174.41 1bq4 n TYR 89 N 6.78 0.00 0.00 3.88 4.01 -1.26 -1.21 117.16 129.36 1bq4 n TYR 89 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1bq4 n TYR 89 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.77 3.85 0.18 2.72 0.00 -1.26 -2.31 105.19 109.14 1bq4 n GLY 90 Ca 0.16 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.99 1.61 -0.00 -1.49 -2.98 116.42 114.55 1bq4 h ASP 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1bq4 h ASP 91 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1bq4 h ASP 91 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 179.24 179.42 1bq4 n LEU 92 N -2.70 0.47 -4.64 2.28 4.32 -0.98 -4.80 117.00 110.95 1bq4 n LEU 92 Ca 0.03 0.57 -0.42 0.00 -0.02 0.00 0.00 56.01 56.17 1bq4 n LEU 92 Cb 0.40 -0.46 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 1bq4 n LEU 92 CO 0.29 -0.27 1.55 -1.10 -1.22 0.00 0.00 177.39 176.65 1bq4 s GLN 93 N -3.13 3.86 0.00 3.23 -0.21 -1.13 -1.85 119.66 120.44 1bq4 s GLN 93 Ca 0.09 2.19 0.00 0.00 0.02 0.00 0.00 55.36 57.66 1bq4 s GLN 93 Cb 0.12 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 29.99 1bq4 s GLN 93 CO 0.47 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.80 1bq4 n GLY 94 N 4.74 0.61 3.21 3.09 0.00 -0.45 -4.84 105.19 111.55 1bq4 n GLY 94 Ca 0.21 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.71 2.03 0.19 1.61 -0.14 -0.77 -4.90 119.74 116.04 1bq4 s LYS 95 Ca 0.00 -0.76 -0.32 0.00 -1.36 0.00 0.00 55.97 53.53 1bq4 s LYS 95 Cb 0.00 -1.80 -0.12 0.00 -1.68 0.00 0.00 37.83 34.23 1bq4 s LYS 95 CO 0.00 0.36 1.71 -3.47 -0.76 0.00 0.00 175.35 173.19 1bq4 n ASP 96 N 2.90 3.85 -0.03 2.83 -0.08 -1.26 -2.54 116.55 122.23 1bq4 n ASP 96 Ca -0.17 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 54.20 1bq4 n ASP 96 Cb 0.52 -1.55 0.39 0.00 2.34 0.00 0.00 41.12 42.83 1bq4 n ASP 96 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1bq4 h LYS 97 N 6.81 0.60 -0.21 -0.67 1.57 -1.78 -1.64 116.57 121.25 1bq4 h LYS 97 Ca -0.44 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 1bq4 h LYS 97 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bq4 h LYS 97 CO 0.95 0.41 -0.56 0.00 -0.57 0.00 0.00 179.45 179.68 1bq4 h ALA 98 N 1.70 0.35 -0.64 3.86 0.00 -1.89 -1.03 119.26 121.60 1bq4 h ALA 98 Ca 0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1bq4 h ALA 98 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bq4 h ALA 98 CO -0.03 0.57 0.25 0.93 0.00 0.00 0.00 179.25 180.97 1bq4 h GLU 99 N 0.48 0.94 0.00 0.00 5.08 -1.90 -1.92 114.58 117.25 1bq4 h GLU 99 Ca -0.01 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1bq4 h GLU 99 Cb 1.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1bq4 h GLU 99 CO 0.12 0.77 -0.27 1.15 -1.00 0.00 0.00 179.01 179.78 1bq4 h THR 100 N 0.92 1.06 -0.16 1.13 2.02 -1.18 0.12 112.91 116.83 1bq4 h THR 100 Ca 0.22 -0.97 -0.15 0.00 0.77 0.00 0.00 66.41 66.28 1bq4 h THR 100 Cb 0.19 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1bq4 h THR 100 CO -0.02 0.26 -0.56 0.25 0.37 0.00 0.00 175.52 175.83 1bq4 h LEU 101 N 0.00 0.52 0.00 2.58 5.85 -0.38 -3.03 115.31 120.86 1bq4 h LEU 101 Ca -0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1bq4 h LEU 101 Cb 0.52 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1bq4 h LEU 101 CO 0.04 0.97 -0.84 0.11 -0.34 0.00 0.00 178.44 178.37 1bq4 h LYS 102 N 0.36 0.00 0.00 1.25 1.57 -1.22 -0.57 116.57 117.96 1bq4 h LYS 102 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1bq4 h LYS 102 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bq4 h LYS 102 CO 0.10 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.15 1bq4 n LYS 103 N -2.47 0.14 0.00 3.15 4.81 0.37 -4.50 118.16 119.65 1bq4 n LYS 103 Ca 0.01 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1bq4 n LYS 103 Cb 0.51 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.90 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 -1.89 0.00 0.00 5.64 3.72 -1.15 -5.06 117.46 118.71 1bq4 n PHE 104 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1bq4 n PHE 104 Cb 0.39 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 2.57 2.76 0.37 1.37 0.00 -0.22 -4.59 105.19 107.45 1bq4 n GLY 105 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 0.67 -0.25 1.61 4.81 -1.97 -1.43 114.58 118.02 1bq4 h GLU 106 Ca 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1bq4 h GLU 106 Cb 0.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1bq4 h GLU 106 CO 0.00 0.44 -0.19 0.93 -0.73 0.00 0.00 179.01 179.46 1bq4 h GLU 107 N 0.69 0.56 0.00 1.92 4.39 -1.96 0.34 114.58 120.52 1bq4 h GLU 107 Ca 0.47 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1bq4 h GLU 107 Cb 0.79 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1bq4 h GLU 107 CO -0.23 0.86 0.00 1.17 -1.16 0.00 0.00 179.01 179.65 1bq4 n LYS 108 N -4.41 0.43 -0.08 2.33 4.81 -1.00 -1.48 118.16 118.75 1bq4 n LYS 108 Ca -0.04 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.22 1bq4 n LYS 108 Cb 0.40 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.82 1bq4 n LYS 108 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bq4 n PHE 109 N -1.27 0.42 -0.16 5.64 7.35 -0.57 -3.16 117.46 125.70 1bq4 n PHE 109 Ca 0.14 0.09 -0.09 0.00 -0.76 0.00 0.00 57.45 56.83 1bq4 n PHE 109 Cb 0.23 -1.05 0.04 0.00 0.35 0.00 0.00 39.48 39.04 1bq4 n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1bq4 h ASN 110 N 0.02 0.98 0.00 -2.13 -0.73 -0.77 -0.78 115.58 112.17 1bq4 h ASN 110 Ca -0.53 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.32 1bq4 h ASN 110 Cb 1.95 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 40.27 1bq4 h ASN 110 CO -0.03 1.10 0.00 0.41 -0.37 0.00 0.00 177.43 178.54 1bq4 n THR 111 N -4.14 0.00 -0.28 -3.57 -1.04 -0.55 0.13 114.28 104.83 1bq4 n THR 111 Ca 0.01 1.42 0.34 0.00 -2.04 0.00 0.00 64.05 63.78 1bq4 n THR 111 Cb 0.41 -2.42 0.73 0.00 -1.82 0.00 0.00 70.33 67.22 1bq4 n THR 111 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1bq4 h TYR 112 N 0.00 0.00 0.03 -1.42 0.05 -1.60 0.00 116.97 114.03 1bq4 h TYR 112 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.45 1bq4 h TYR 112 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1bq4 h TYR 112 CO 0.21 0.00 -1.85 0.54 -1.05 0.00 0.00 178.16 176.01 1bq4 n ARG 113 N -4.03 0.63 -0.08 4.88 1.74 -0.30 -4.76 116.66 114.74 1bq4 n ARG 113 Ca 0.24 0.39 0.03 0.00 -0.77 0.00 0.00 57.85 57.74 1bq4 n ARG 113 Cb 1.23 -1.66 0.07 0.00 -1.02 0.00 0.00 32.46 31.08 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 -4.05 2.31 -1.78 5.56 5.12 0.35 -5.04 116.66 119.12 1bq4 n ARG 114 Ca -0.39 -1.60 -0.29 0.00 -1.93 0.00 0.00 57.85 53.63 1bq4 n ARG 114 Cb 0.85 -1.14 0.08 0.00 -1.16 0.00 0.00 32.46 31.09 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 -0.90 4.64 -0.12 0.55 1.04 -0.04 -4.70 113.70 114.17 1bq4 s SER 115 Ca 0.11 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.44 1bq4 s SER 115 Cb 0.06 -1.64 -0.26 0.00 0.10 0.00 0.00 66.02 64.28 1bq4 s SER 115 CO 0.08 -1.84 0.40 0.15 0.98 0.00 0.00 173.24 173.01 1bq4 h PHE 116 N -1.01 0.44 0.00 5.02 3.57 -1.88 -3.40 116.94 119.68 1bq4 h PHE 116 Ca -0.47 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 60.72 1bq4 h PHE 116 Cb 1.30 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1bq4 h PHE 116 CO 0.39 1.71 -0.07 -0.40 -2.23 0.00 0.00 178.31 177.70 1bq4 n ASP 117 N -3.69 1.84 -4.11 0.41 5.75 -1.26 -1.93 116.55 113.56 1bq4 n ASP 117 Ca -0.30 -2.64 -0.35 0.00 -0.01 0.00 0.00 54.79 51.49 1bq4 n ASP 117 Cb 0.98 -0.30 -0.12 0.00 -1.03 0.00 0.00 41.12 40.65 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 -1.98 3.13 0.55 2.12 1.01 -1.26 -4.98 120.40 118.98 1bq4 s VAL 118 Ca 0.20 -2.08 -0.17 0.00 0.00 0.00 0.00 61.98 59.92 1bq4 s VAL 118 Cb 0.17 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 1bq4 s VAL 118 CO 0.02 -0.66 1.04 -2.16 0.00 0.00 0.00 175.10 173.33 1bq4 s PRO 119 N 1.11 3.58 0.97 2.72 0.04 -1.26 -4.55 135.00 137.61 1bq4 s PRO 119 Ca 0.08 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1bq4 s PRO 119 Cb -0.22 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 32.42 1bq4 s PRO 119 CO -0.05 -0.59 1.09 -2.14 0.04 0.00 0.00 177.00 175.35 1bq4 s PRO 120 N -3.81 0.62 1.00 0.56 0.02 -1.26 -4.98 135.00 127.14 1bq4 s PRO 120 Ca 0.64 1.05 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 1bq4 s PRO 120 Cb -0.15 -1.72 0.19 0.00 0.02 0.00 0.00 34.50 32.84 1bq4 s PRO 120 CO 0.30 -2.75 1.09 -2.14 -0.33 0.00 0.00 177.00 173.18 1bq4 s PRO 121 N -4.72 0.41 0.34 5.54 0.02 -1.26 -4.71 135.00 130.61 1bq4 s PRO 121 Ca 0.66 1.13 -0.19 0.00 0.02 0.00 0.00 61.00 62.62 1bq4 s PRO 121 Cb -0.21 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 1bq4 s PRO 121 CO 0.59 -2.92 0.83 -1.25 -0.33 0.00 0.00 177.00 173.93 1bq4 s PRO 122 N -4.65 4.19 -0.09 5.54 0.04 -1.26 -1.60 135.00 137.17 1bq4 s PRO 122 Ca 0.66 0.93 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 1bq4 s PRO 122 Cb -0.22 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1bq4 s PRO 122 CO 0.60 0.15 0.71 -1.50 0.04 0.00 0.00 177.00 177.00 1bq4 s ILE 123 N -1.93 5.03 0.67 0.56 2.07 -0.81 -4.32 121.20 122.47 1bq4 s ILE 123 Ca 0.54 1.44 -0.17 0.00 -1.41 0.00 0.00 60.65 61.05 1bq4 s ILE 123 Cb -0.12 -4.04 -0.02 0.00 0.13 0.00 0.00 42.46 38.41 1bq4 s ILE 123 CO 0.17 0.22 1.01 -0.67 -1.91 0.00 0.00 174.94 173.76 1bq4 n ASP 124 N 4.03 0.82 0.21 4.50 2.03 -1.26 -4.89 116.55 121.99 1bq4 n ASP 124 Ca -0.01 0.74 0.05 0.00 0.52 0.00 0.00 54.79 56.09 1bq4 n ASP 124 Cb 0.51 -1.42 0.45 0.00 -0.72 0.00 0.00 41.12 39.94 1bq4 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bq4 h ALA 125 N 0.14 1.46 -0.05 -1.67 0.00 -1.99 -2.83 119.26 114.31 1bq4 h ALA 125 Ca -0.48 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 53.94 1bq4 h ALA 125 Cb 1.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1bq4 h ALA 125 CO 0.49 0.35 -0.92 0.66 0.00 0.00 0.00 179.25 179.83 1bq4 h SER 126 N 0.00 0.79 -1.33 0.00 4.64 -1.99 -3.46 113.55 112.21 1bq4 h SER 126 Ca -0.00 -0.59 -0.69 0.00 -0.47 0.00 0.00 61.79 60.04 1bq4 h SER 126 Cb 0.51 -0.24 0.09 0.00 -0.31 0.00 0.00 62.40 62.45 1bq4 h SER 126 CO 0.04 1.38 -0.16 -0.24 -0.87 0.00 0.00 176.83 176.98 1bq4 n SER 127 N -3.85 -0.17 0.05 4.97 2.88 -1.07 -4.83 113.62 111.61 1bq4 n SER 127 Ca -0.08 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.65 1bq4 n SER 127 Cb 0.82 -1.03 0.25 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.26 0.05 -0.95 -1.46 -0.02 -1.26 -2.93 135.00 129.69 1bq4 n PRO 128 Ca 0.17 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1bq4 n PRO 128 Cb 0.21 -1.65 0.20 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.75 1.75 -4.03 6.00 3.01 -1.26 -4.95 117.46 116.23 1bq4 n PHE 129 Ca 0.01 -1.67 -0.35 0.00 1.01 0.00 0.00 57.45 56.45 1bq4 n PHE 129 Cb 0.06 -0.64 -0.07 0.00 -0.01 0.00 0.00 39.48 38.83 1bq4 n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1bq4 s SER 130 N -2.11 5.99 -0.09 4.37 0.15 -1.15 -4.83 113.70 116.03 1bq4 s SER 130 Ca 0.49 0.30 0.18 0.00 0.70 0.00 0.00 55.95 57.61 1bq4 s SER 130 Cb 0.43 -1.83 0.65 0.00 -1.71 0.00 0.00 66.02 63.56 1bq4 s SER 130 CO 0.04 0.34 1.56 0.00 1.20 0.00 0.00 173.24 176.37 1bq4 n GLN 131 N 1.58 3.45 -2.12 5.44 3.00 -1.26 -4.94 117.38 122.53 1bq4 n GLN 131 Ca -0.16 -2.76 -0.43 0.00 -0.01 0.00 0.00 57.00 53.64 1bq4 n GLN 131 Cb 0.54 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 1bq4 n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1bq4 s LYS 132 N -1.73 4.06 0.00 -1.09 2.36 -1.26 -1.80 119.74 120.28 1bq4 s LYS 132 Ca 0.47 1.91 0.00 0.00 -2.55 0.00 0.00 55.97 55.80 1bq4 s LYS 132 Cb 0.30 -3.96 0.00 0.00 -1.05 0.00 0.00 37.83 33.11 1bq4 s LYS 132 CO 0.23 -0.98 0.00 0.41 1.55 0.00 0.00 175.35 176.57 1bq4 n GLY 133 N 4.22 0.73 3.72 5.54 0.00 -1.26 -5.02 105.19 113.11 1bq4 n GLY 133 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.93 6.83 0.35 1.61 1.11 -0.75 -4.94 116.67 117.96 1bq4 s ASP 134 Ca 0.00 2.35 0.18 0.00 0.18 0.00 0.00 52.55 55.25 1bq4 s ASP 134 Cb 0.00 -2.59 1.21 0.00 1.07 0.00 0.00 42.92 42.61 1bq4 s ASP 134 CO 0.00 -0.63 1.62 -0.08 1.18 0.00 0.00 175.17 177.26 1bq4 h GLU 135 N 6.52 0.17 0.00 8.23 4.81 -1.95 -1.55 114.58 130.81 1bq4 h GLU 135 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1bq4 h GLU 135 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1bq4 h GLU 135 CO 0.85 0.11 0.00 2.89 -0.73 0.00 0.00 179.01 182.13 1bq4 n ARG 136 N -5.15 0.08 -0.14 1.92 1.85 -1.26 -1.76 116.66 112.20 1bq4 n ARG 136 Ca 0.35 0.23 0.06 0.00 -1.00 0.00 0.00 57.85 57.48 1bq4 n ARG 136 Cb 1.13 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 31.16 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 -1.40 0.27 0.38 2.89 0.53 -0.58 -4.78 117.16 114.46 1bq4 n TYR 137 Ca 0.04 -0.71 0.12 0.00 -1.02 0.00 0.00 57.90 56.34 1bq4 n TYR 137 Cb 0.13 -0.12 0.51 0.00 -1.03 0.00 0.00 39.34 38.82 1bq4 n TYR 137 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 1bq4 n LYS 138 N -0.55 0.20 -0.76 -0.72 2.85 -0.72 -2.50 118.16 115.96 1bq4 n LYS 138 Ca 0.11 0.44 -0.03 0.00 -1.05 0.00 0.00 58.31 57.78 1bq4 n LYS 138 Cb 0.51 -1.89 0.22 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.27 1.30 -4.68 5.58 0.53 -1.26 -4.94 117.16 111.42 1bq4 n TYR 139 Ca 0.02 -1.41 -0.27 0.00 -1.02 0.00 0.00 57.90 55.22 1bq4 n TYR 139 Cb 0.22 -0.50 -0.14 0.00 -1.03 0.00 0.00 39.34 37.89 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 -3.13 1.84 -0.17 -0.72 1.01 -1.04 -5.06 120.40 113.13 1bq4 s VAL 140 Ca 0.46 -1.31 -0.33 0.00 0.00 0.00 0.00 61.98 60.80 1bq4 s VAL 140 Cb 0.40 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 1bq4 s VAL 140 CO 0.04 0.23 2.04 -0.67 0.00 0.00 0.00 175.10 176.73 1bq4 n ASP 141 N 1.72 3.13 -0.41 3.32 2.03 -1.26 -4.80 116.55 120.28 1bq4 n ASP 141 Ca -0.17 0.67 0.38 0.00 0.52 0.00 0.00 54.79 56.18 1bq4 n ASP 141 Cb 0.53 -1.39 0.73 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 11.35 0.06 0.00 -0.67 0.11 -1.94 0.14 132.00 141.04 1bq4 h PRO 142 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bq4 h PRO 142 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bq4 h PRO 142 CO 0.97 0.04 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.63 1bq4 h ASN 143 N 0.06 0.00 0.84 -2.05 2.35 -2.01 -3.34 115.58 111.42 1bq4 h ASN 143 Ca 0.67 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 56.16 1bq4 h ASN 143 Cb 2.52 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.85 1bq4 h ASN 143 CO -0.08 0.02 -1.23 1.62 -1.65 0.00 0.00 177.43 176.10 1bq4 h VAL 144 N 0.00 1.36 -1.84 2.81 3.04 -1.08 -3.46 116.25 117.08 1bq4 h VAL 144 Ca 0.00 -3.10 -0.62 0.00 -1.01 0.00 0.00 66.70 61.97 1bq4 h VAL 144 Cb 0.89 2.67 0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1bq4 h VAL 144 CO 0.00 0.77 1.27 0.18 -1.01 0.00 0.00 177.57 178.78 1bq4 n LEU 145 N -3.23 3.18 -4.74 3.16 7.99 -1.24 -4.96 117.00 117.16 1bq4 n LEU 145 Ca -0.06 0.68 -0.32 0.00 -0.01 0.00 0.00 56.01 56.30 1bq4 n LEU 145 Cb 0.97 -1.40 0.10 0.00 -0.11 0.00 0.00 43.42 42.97 1bq4 n LEU 145 CO 0.46 -0.32 0.73 -2.16 -1.51 0.00 0.00 177.39 174.59 1bq4 s PRO 146 N 5.08 2.12 0.00 3.23 0.04 -1.26 -4.97 135.00 139.23 1bq4 s PRO 146 Ca 0.98 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1bq4 s PRO 146 Cb -0.63 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1bq4 s PRO 146 CO 0.47 -1.79 0.69 0.39 0.04 0.00 0.00 177.00 176.80 1bq4 n GLU 147 N -3.16 -0.09 0.00 4.56 -0.58 -1.26 -4.99 120.64 115.12 1bq4 n GLU 147 Ca 0.11 -0.86 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 1bq4 n GLU 147 Cb 0.52 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1bq4 n GLU 147 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1bq4 n THR 148 N 0.27 0.00 -3.90 2.62 5.66 -1.26 -1.92 114.28 115.75 1bq4 n THR 148 Ca 0.03 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.94 1bq4 n THR 148 Cb 0.14 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.86 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 1.23 0.38 1.09 2.02 -0.35 -4.89 118.70 116.18 1bq4 s GLU 149 Ca 0.00 -1.09 0.08 0.00 0.02 0.00 0.00 54.97 53.98 1bq4 s GLU 149 Cb 0.00 0.42 -0.06 0.00 0.10 0.00 0.00 34.13 34.59 1bq4 s GLU 149 CO 0.00 -0.47 0.05 -1.54 0.02 0.00 0.00 175.26 173.31 1bq4 s SER 150 N -2.94 4.12 0.33 -0.19 1.04 -1.26 -4.36 113.70 110.43 1bq4 s SER 150 Ca 0.15 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.44 1bq4 s SER 150 Cb 0.02 -0.46 0.56 0.00 0.10 0.00 0.00 66.02 66.24 1bq4 s SER 150 CO -0.01 -0.38 1.99 0.25 0.98 0.00 0.00 173.24 176.08 1bq4 h LEU 151 N 1.71 0.81 -0.30 2.42 6.46 -1.75 -1.83 115.31 122.83 1bq4 h LEU 151 Ca -0.43 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1bq4 h LEU 151 Cb 1.25 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1bq4 h LEU 151 CO 0.72 0.59 0.18 0.00 -0.62 0.00 0.00 178.44 179.31 1bq4 h ALA 152 N 1.56 0.38 -0.27 1.25 0.00 -1.73 -1.47 119.26 118.99 1bq4 h ALA 152 Ca 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1bq4 h ALA 152 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1bq4 h ALA 152 CO -0.05 -0.11 -0.02 1.25 0.00 0.00 0.00 179.25 180.32 1bq4 h LEU 153 N 0.38 0.37 -0.65 0.00 5.85 -1.72 -2.08 115.31 117.47 1bq4 h LEU 153 Ca 0.11 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1bq4 h LEU 153 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1bq4 h LEU 153 CO -0.02 0.45 -0.66 0.58 -0.34 0.00 0.00 178.44 178.45 1bq4 h VAL 154 N 0.39 1.46 0.13 1.05 2.07 -1.04 -3.01 116.25 117.30 1bq4 h VAL 154 Ca 0.09 -2.22 -0.28 0.00 0.82 0.00 0.00 66.70 65.11 1bq4 h VAL 154 Cb 0.29 2.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1bq4 h VAL 154 CO 0.01 0.64 -1.24 0.40 0.02 0.00 0.00 177.57 177.40 1bq4 h ILE 155 N 0.04 1.44 -0.75 4.57 2.04 -0.87 -1.63 117.51 122.35 1bq4 h ILE 155 Ca -0.01 -2.88 0.08 0.00 1.00 0.00 0.00 64.86 63.06 1bq4 h ILE 155 Cb 1.17 2.87 -0.07 0.00 -0.74 0.00 0.00 36.82 40.06 1bq4 h ILE 155 CO 0.09 0.85 0.41 0.44 0.00 0.00 0.00 178.15 179.94 1bq4 h ASP 156 N 0.12 0.58 0.50 1.72 3.45 -1.32 0.82 116.42 122.30 1bq4 h ASP 156 Ca -0.15 0.05 -0.29 0.00 0.43 0.00 0.00 57.03 57.06 1bq4 h ASP 156 Cb 1.95 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 40.61 1bq4 h ASP 156 CO 0.21 0.35 -1.67 0.08 -1.57 0.00 0.00 179.24 176.64 1bq4 h ARG 157 N 0.71 0.03 -0.02 3.56 0.11 -1.61 -3.36 114.38 113.79 1bq4 h ARG 157 Ca 0.36 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.39 1bq4 h ARG 157 Cb 0.31 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 1bq4 h ARG 157 CO -0.24 0.60 0.01 1.25 0.10 0.00 0.00 179.97 181.70 1bq4 h LEU 158 N 0.01 0.03 -0.78 0.08 5.85 -0.75 -3.30 115.31 116.45 1bq4 h LEU 158 Ca -0.27 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.44 1bq4 h LEU 158 Cb 2.00 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.90 1bq4 h LEU 158 CO 0.09 0.21 0.16 -0.07 -0.34 0.00 0.00 178.44 178.49 1bq4 h LEU 159 N -0.15 -0.06 -1.65 2.25 3.38 -1.00 -2.01 115.31 116.07 1bq4 h LEU 159 Ca 0.01 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1bq4 h LEU 159 Cb 0.19 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1bq4 h LEU 159 CO -0.00 -0.10 0.30 -0.65 0.09 0.00 0.00 178.44 178.08 1bq4 h PRO 160 N 0.22 0.43 -0.07 1.13 0.11 -1.72 0.14 132.00 132.24 1bq4 h PRO 160 Ca 0.45 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.30 1bq4 h PRO 160 Cb 0.82 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.84 1bq4 h PRO 160 CO -0.58 0.28 -0.88 -0.92 -0.21 0.00 0.00 178.00 175.70 1bq4 h TYR 161 N 0.44 0.92 -0.22 0.65 3.20 -1.54 -2.26 116.97 118.16 1bq4 h TYR 161 Ca 0.19 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 1bq4 h TYR 161 Cb 0.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1bq4 h TYR 161 CO -0.00 1.27 0.06 2.35 -1.64 0.00 0.00 178.16 180.20 1bq4 h TRP 162 N 0.41 0.36 -0.40 -3.82 2.91 -1.15 0.94 115.95 115.20 1bq4 h TRP 162 Ca -0.08 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 59.80 1bq4 h TRP 162 Cb 1.51 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 30.04 1bq4 h TRP 162 CO 0.08 0.44 -0.16 1.96 -1.03 0.00 0.00 178.44 179.73 1bq4 h GLN 163 N 0.17 0.74 0.00 2.65 4.20 -0.70 -0.22 115.11 121.95 1bq4 h GLN 163 Ca 0.07 -0.27 -0.44 0.00 0.06 0.00 0.00 58.65 58.08 1bq4 h GLN 163 Cb 0.26 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1bq4 h GLN 163 CO -0.00 0.86 -2.38 -0.25 -0.67 0.00 0.00 178.83 176.39 1bq4 n ASP 164 N -4.14 1.95 -0.08 1.46 10.43 -0.86 -4.52 116.55 120.79 1bq4 n ASP 164 Ca 0.01 0.35 -0.13 0.00 2.57 0.00 0.00 54.79 57.59 1bq4 n ASP 164 Cb 0.39 -0.84 -0.08 0.00 1.84 0.00 0.00 41.12 42.43 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 -0.99 0.87 -0.31 2.53 2.07 -1.06 -3.34 116.25 116.02 1bq4 h VAL 165 Ca -0.66 -1.82 -0.11 0.00 0.82 0.00 0.00 66.70 64.93 1bq4 h VAL 165 Cb 1.58 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1bq4 h VAL 165 CO -0.40 0.30 -0.22 0.40 0.02 0.00 0.00 177.57 177.67 1bq4 h ILE 166 N -1.00 1.30 -0.79 4.57 2.04 -0.98 -3.09 117.51 119.55 1bq4 h ILE 166 Ca -0.12 -1.36 0.11 0.00 1.00 0.00 0.00 64.86 64.49 1bq4 h ILE 166 Cb 0.85 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1bq4 h ILE 166 CO -0.07 0.44 0.52 0.00 0.00 0.00 0.00 178.15 179.03 1bq4 h ALA 167 N 0.74 1.83 -0.88 1.87 0.00 -1.27 -1.14 119.26 120.42 1bq4 h ALA 167 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bq4 h ALA 167 Cb 0.77 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1bq4 h ALA 167 CO 0.06 -0.01 0.56 -0.22 0.00 0.00 0.00 179.25 179.64 1bq4 h LYS 168 N 0.66 1.16 -0.01 0.00 3.64 -1.66 0.42 116.57 120.78 1bq4 h LYS 168 Ca 0.37 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1bq4 h LYS 168 Cb 0.55 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1bq4 h LYS 168 CO -0.14 0.79 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.26 1bq4 h ASP 169 N 1.19 0.13 0.24 4.20 3.45 -1.31 -2.63 116.42 121.70 1bq4 h ASP 169 Ca 0.32 -0.71 0.01 0.00 0.43 0.00 0.00 57.03 57.08 1bq4 h ASP 169 Cb -0.11 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 1bq4 h ASP 169 CO -0.07 0.82 -0.37 0.25 -1.57 0.00 0.00 179.24 178.31 1bq4 h LEU 170 N -0.55 -1.03 -1.26 1.55 5.85 -1.24 -1.44 115.31 117.19 1bq4 h LEU 170 Ca -0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bq4 h LEU 170 Cb 0.83 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1bq4 h LEU 170 CO 0.02 -0.48 0.00 0.18 -0.34 0.00 0.00 178.44 177.83 1bq4 n LEU 171 N -5.46 0.56 -0.68 2.25 4.77 0.14 -1.45 117.00 117.13 1bq4 n LEU 171 Ca -0.08 0.74 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 1bq4 n LEU 171 Cb 0.36 -0.78 0.34 0.00 -2.33 0.00 0.00 43.42 41.01 1bq4 n LEU 171 CO 0.24 -0.87 0.76 -1.20 -1.33 0.00 0.00 177.39 174.99 1bq4 n SER 172 N -2.23 2.05 0.00 -1.43 7.64 -0.57 -4.95 113.62 114.13 1bq4 n SER 172 Ca -0.01 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.11 1bq4 n SER 172 Cb 0.07 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.21 0.78 3.87 0.23 0.00 -0.53 -5.06 105.19 105.70 1bq4 n GLY 173 Ca 0.17 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.58 3.75 -0.52 1.61 1.02 -1.03 -4.98 119.74 119.01 1bq4 s LYS 174 Ca 0.00 0.16 -0.23 0.00 0.02 0.00 0.00 55.97 55.92 1bq4 s LYS 174 Cb 0.00 -2.96 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1bq4 s LYS 174 CO 0.00 0.54 0.84 0.99 -0.92 0.00 0.00 175.35 176.80 1bq4 s THR 175 N -1.45 4.54 -0.21 2.17 2.01 -1.26 -4.29 115.64 117.16 1bq4 s THR 175 Ca 0.35 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 1bq4 s THR 175 Cb -0.14 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 1bq4 s THR 175 CO 0.19 -0.97 0.51 -0.69 -0.69 0.00 0.00 174.62 172.97 1bq4 s VAL 176 N 3.54 5.10 -0.18 3.82 1.01 -0.96 -1.03 120.40 131.70 1bq4 s VAL 176 Ca 0.27 0.94 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 1bq4 s VAL 176 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1bq4 s VAL 176 CO 0.18 0.17 0.09 -0.32 0.00 0.00 0.00 175.10 175.22 1bq4 s MET 177 N 1.72 4.01 -0.16 2.72 -2.45 -0.72 -1.86 119.30 122.56 1bq4 s MET 177 Ca 0.23 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.40 1bq4 s MET 177 Cb -0.15 -3.28 0.01 0.00 1.25 0.00 0.00 34.83 32.65 1bq4 s MET 177 CO 0.09 0.32 -0.18 0.42 1.05 0.00 0.00 175.02 176.72 1bq4 s ILE 178 N 0.26 2.33 -0.23 10.11 1.01 -0.39 -0.12 121.20 134.16 1bq4 s ILE 178 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1bq4 s ILE 178 Cb -0.12 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.42 1bq4 s ILE 178 CO -0.00 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.35 1bq4 s ALA 179 N 0.97 2.55 0.00 9.38 0.00 0.11 -1.27 121.76 133.50 1bq4 s ALA 179 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1bq4 s ALA 179 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1bq4 s ALA 179 CO -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 175.76 174.88 1bq4 n ALA 180 N 4.56 0.00 -2.56 0.00 0.00 -1.17 -3.90 120.51 117.44 1bq4 n ALA 180 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1bq4 n ALA 180 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 0.67 2.41 0.00 0.00 3.76 -1.26 -3.53 115.29 117.34 1bq4 s HIS 181 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1bq4 s HIS 181 Cb 0.00 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.19 1bq4 s HIS 181 CO 0.00 0.52 0.40 0.41 -0.85 0.00 0.00 174.74 175.22 1bq4 n GLY 182 N -0.84 -2.98 0.33 -2.22 0.00 -1.26 -0.91 105.19 97.31 1bq4 n GLY 182 Ca -0.05 0.64 0.14 0.00 0.00 0.00 0.00 46.02 46.75 1bq4 n GLY 182 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bq4 h ASN 183 N 0.00 0.56 -0.36 1.61 2.35 -1.98 0.62 115.58 118.38 1bq4 h ASN 183 Ca 0.00 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1bq4 h ASN 183 Cb 0.00 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1bq4 h ASN 183 CO 0.00 0.11 -0.28 0.77 -1.65 0.00 0.00 177.43 176.38 1bq4 h SER 184 N 0.55 0.91 0.06 5.81 4.64 -1.71 0.99 113.55 124.80 1bq4 h SER 184 Ca 0.58 -0.36 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 1bq4 h SER 184 Cb 1.05 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1bq4 h SER 184 CO -0.47 1.13 -0.55 -0.07 -0.87 0.00 0.00 176.83 176.00 1bq4 h LEU 185 N 0.75 0.58 -0.23 5.97 3.38 0.10 -1.89 115.31 123.97 1bq4 h LEU 185 Ca 0.09 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 1bq4 h LEU 185 Cb 0.83 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1bq4 h LEU 185 CO 0.07 1.02 -0.52 0.03 0.09 0.00 0.00 178.44 179.13 1bq4 h ARG 186 N 0.40 0.75 -0.94 1.13 3.08 -0.72 -0.31 114.38 117.77 1bq4 h ARG 186 Ca 0.01 -0.50 0.14 0.00 0.07 0.00 0.00 59.98 59.69 1bq4 h ARG 186 Cb 1.09 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 1bq4 h ARG 186 CO 0.10 1.13 0.60 0.78 -1.07 0.00 0.00 179.97 181.51 1bq4 h GLY 187 N 0.48 1.40 1.32 0.04 0.00 0.11 0.15 103.07 106.57 1bq4 h GLY 187 Ca -0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 47.33 46.71 1bq4 h GLY 187 CO 0.11 0.10 -1.10 -2.00 0.00 0.00 0.00 176.54 173.65 1bq4 h LEU 188 N 0.80 0.79 -0.79 3.11 5.85 -0.93 -3.20 115.31 120.93 1bq4 h LEU 188 Ca 0.48 -0.67 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1bq4 h LEU 188 Cb 0.66 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1bq4 h LEU 188 CO -0.24 1.48 -0.47 0.58 -0.34 0.00 0.00 178.44 179.44 1bq4 h VAL 189 N 0.30 1.07 -0.75 1.05 2.07 -0.43 -2.01 116.25 117.54 1bq4 h VAL 189 Ca -0.14 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 1bq4 h VAL 189 Cb 1.76 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 1bq4 h VAL 189 CO 0.21 0.47 0.40 0.50 0.02 0.00 0.00 177.57 179.16 1bq4 h LYS 190 N 0.00 1.04 0.41 1.57 3.64 -0.73 -2.57 116.57 119.93 1bq4 h LYS 190 Ca -0.00 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1bq4 h LYS 190 Cb 1.02 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1bq4 h LYS 190 CO 0.06 0.77 -0.20 1.25 -2.27 0.00 0.00 179.45 179.07 1bq4 h HIS 191 N 1.05 -0.51 -1.50 1.91 2.76 -1.50 -1.58 115.15 115.77 1bq4 h HIS 191 Ca 0.26 -0.01 0.46 0.00 -2.20 0.00 0.00 60.37 58.88 1bq4 h HIS 191 Cb 0.04 0.17 -0.10 0.00 1.55 0.00 0.00 27.41 29.07 1bq4 h HIS 191 CO 0.01 -0.32 1.02 -0.07 -1.30 0.00 0.00 177.93 177.27 1bq4 h LEU 192 N -0.86 0.14 -2.97 0.26 3.38 -1.25 -1.66 115.31 112.35 1bq4 h LEU 192 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bq4 h LEU 192 Cb 0.43 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1bq4 h LEU 192 CO 0.09 -0.09 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1bq4 n GLU 193 N -4.39 2.93 -1.47 1.13 1.02 -0.98 -4.32 120.64 114.56 1bq4 n GLU 193 Ca 0.37 -1.67 -0.15 0.00 -0.02 0.00 0.00 57.16 55.69 1bq4 n GLU 193 Cb 1.57 -1.09 -0.06 0.00 -0.02 0.00 0.00 31.44 31.84 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 -0.26 1.47 3.67 0.62 0.00 -0.62 -4.94 105.19 105.13 1bq4 n GLY 194 Ca 0.03 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.62 1.30 -2.02 -0.61 5.41 -0.65 -4.96 119.36 115.21 1bq4 n ILE 195 Ca -0.15 -0.32 -0.32 0.00 1.00 0.00 0.00 62.75 62.95 1bq4 n ILE 195 Cb 0.50 -1.46 0.01 0.00 -0.71 0.00 0.00 39.64 37.97 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 0.07 6.00 0.30 4.38 1.04 -1.26 -4.85 113.70 119.38 1bq4 s SER 196 Ca 0.64 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 58.72 1bq4 s SER 196 Cb -0.63 -2.51 0.51 0.00 0.10 0.00 0.00 66.02 63.49 1bq4 s SER 196 CO 0.54 -1.02 1.93 0.44 0.98 0.00 0.00 173.24 176.11 1bq4 h ASP 197 N 0.23 0.91 -0.28 7.02 5.19 -1.99 -0.94 116.42 126.57 1bq4 h ASP 197 Ca -0.46 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 1bq4 h ASP 197 Cb 1.20 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1bq4 h ASP 197 CO 0.59 0.61 0.16 0.00 -3.12 0.00 0.00 179.24 177.48 1bq4 h ALA 198 N 1.50 0.34 0.00 3.45 0.00 -2.02 -3.25 119.26 119.29 1bq4 h ALA 198 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1bq4 h ALA 198 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bq4 h ALA 198 CO -0.12 -0.23 -0.60 -0.44 0.00 0.00 0.00 179.25 177.87 1bq4 h ASP 199 N 0.32 0.00 -0.96 0.00 3.32 -1.80 -3.38 116.42 113.92 1bq4 h ASP 199 Ca 0.11 -0.13 0.18 0.00 0.02 0.00 0.00 57.03 57.20 1bq4 h ASP 199 Cb 0.01 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 1bq4 h ASP 199 CO -0.06 0.07 0.61 -0.29 -1.72 0.00 0.00 179.24 177.85 1bq4 h ILE 200 N 0.00 0.75 -0.29 0.35 6.09 -1.22 -1.47 117.51 121.71 1bq4 h ILE 200 Ca 0.00 -0.23 0.09 0.00 -1.37 0.00 0.00 64.86 63.34 1bq4 h ILE 200 Cb 0.82 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 1bq4 h ILE 200 CO 0.00 0.12 0.24 0.00 -3.07 0.00 0.00 178.15 175.44 1bq4 h ALA 201 N 1.61 2.16 -0.08 0.18 0.00 -1.78 -2.43 119.26 118.93 1bq4 h ALA 201 Ca 0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.30 1bq4 h ALA 201 Cb 0.90 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bq4 h ALA 201 CO -0.28 -0.39 -0.47 -0.22 0.00 0.00 0.00 179.25 177.90 1bq4 h LYS 202 N 0.00 0.18 -6.26 0.00 3.64 -1.57 -3.45 116.57 109.11 1bq4 h LYS 202 Ca 0.14 -0.10 -0.55 0.00 -1.27 0.00 0.00 60.65 58.87 1bq4 h LYS 202 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1bq4 h LYS 202 CO -0.00 0.62 1.17 -1.17 -2.27 0.00 0.00 179.45 177.79 1bq4 s LEU 203 N -8.11 4.13 0.19 5.20 2.96 -0.92 -5.02 118.68 117.11 1bq4 s LEU 203 Ca -0.04 2.10 0.05 0.00 -0.22 0.00 0.00 54.13 56.02 1bq4 s LEU 203 Cb 0.13 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1bq4 s LEU 203 CO 0.77 -1.15 0.22 0.21 -1.32 0.00 0.00 176.35 175.08 1bq4 s ASN 204 N 4.32 5.86 -0.26 3.68 2.47 -1.26 -5.04 114.94 124.70 1bq4 s ASN 204 Ca 0.78 -0.05 -0.03 0.00 0.42 0.00 0.00 52.86 53.99 1bq4 s ASN 204 Cb -0.32 -1.62 0.11 0.00 -1.45 0.00 0.00 41.25 37.96 1bq4 s ASN 204 CO 0.32 0.02 0.21 -0.63 -3.72 0.00 0.00 177.10 173.30 1bq4 s ILE 205 N -1.88 -0.26 1.00 -5.21 1.01 -1.26 -5.11 121.20 109.49 1bq4 s ILE 205 Ca 0.33 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 1bq4 s ILE 205 Cb -0.10 -0.88 0.20 0.00 0.01 0.00 0.00 42.46 41.69 1bq4 s ILE 205 CO 0.26 -0.47 1.11 -2.16 0.00 0.00 0.00 174.94 173.67 1bq4 s PRO 206 N 2.26 0.32 -0.03 2.79 0.04 -1.26 -4.92 135.00 134.20 1bq4 s PRO 206 Ca 0.08 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1bq4 s PRO 206 Cb -0.15 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1bq4 s PRO 206 CO -0.27 -3.03 0.36 0.95 0.04 0.00 0.00 177.00 175.04 1bq4 s THR 207 N -2.58 5.13 -0.01 1.26 -4.23 -1.26 -4.17 115.64 109.77 1bq4 s THR 207 Ca 0.67 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1bq4 s THR 207 Cb -0.24 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1bq4 s THR 207 CO 0.60 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.87 1bq4 n GLY 208 N 1.89 0.47 2.89 3.99 0.00 0.27 -4.83 105.19 109.87 1bq4 n GLY 208 Ca -0.15 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.96 1.14 -0.10 -0.61 1.01 -1.26 -3.92 121.20 115.50 1bq4 s ILE 209 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1bq4 s ILE 209 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1bq4 s ILE 209 CO 0.00 0.06 1.60 -2.84 0.00 0.00 0.00 174.94 173.75 1bq4 s PRO 210 N 1.61 4.10 -0.31 2.79 0.02 -1.25 -4.37 135.00 137.59 1bq4 s PRO 210 Ca -0.01 2.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.85 1bq4 s PRO 210 Cb -0.16 -3.97 -0.02 0.00 0.02 0.00 0.00 34.50 30.37 1bq4 s PRO 210 CO -0.07 -0.93 0.48 -1.17 -0.33 0.00 0.00 177.00 174.98 1bq4 s LEU 211 N 4.23 4.21 0.01 -5.54 0.20 0.13 -2.97 118.68 118.95 1bq4 s LEU 211 Ca 0.71 0.19 -0.01 0.00 0.69 0.00 0.00 54.13 55.70 1bq4 s LEU 211 Cb -0.30 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.85 1bq4 s LEU 211 CO 0.27 -0.37 0.14 -0.69 -0.29 0.00 0.00 176.35 175.41 1bq4 s VAL 212 N 2.30 5.07 -0.10 1.68 1.01 -0.77 0.89 120.40 130.48 1bq4 s VAL 212 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1bq4 s VAL 212 Cb -0.16 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1bq4 s VAL 212 CO 0.11 0.30 -0.05 -0.36 0.00 0.00 0.00 175.10 175.10 1bq4 s PHE 213 N -1.30 1.20 -0.31 5.22 0.40 0.37 -2.52 117.98 121.04 1bq4 s PHE 213 Ca 0.27 -0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 55.85 1bq4 s PHE 213 Cb -0.12 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1bq4 s PHE 213 CO 0.18 -0.45 0.57 -1.21 0.70 0.00 0.00 175.22 175.01 1bq4 s GLU 214 N 1.80 3.86 0.47 0.44 2.02 -1.26 -0.57 118.70 125.46 1bq4 s GLU 214 Ca 0.05 0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.29 1bq4 s GLU 214 Cb -0.13 -3.74 0.02 0.00 0.10 0.00 0.00 34.13 30.38 1bq4 s GLU 214 CO -0.07 -0.55 0.49 -0.51 0.02 0.00 0.00 175.26 174.64 1bq4 s LEU 215 N 2.50 3.24 0.36 1.80 1.43 0.49 0.76 118.68 129.26 1bq4 s LEU 215 Ca 0.23 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1bq4 s LEU 215 Cb -0.15 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1bq4 s LEU 215 CO 0.12 -0.89 0.08 1.51 0.23 0.00 0.00 176.35 177.40 1bq4 s ASP 216 N -4.30 2.62 0.44 2.29 3.84 -1.00 -3.55 116.67 117.01 1bq4 s ASP 216 Ca 0.49 -1.49 0.36 0.00 -0.00 0.00 0.00 52.55 51.91 1bq4 s ASP 216 Cb -0.05 0.14 1.43 0.00 -1.38 0.00 0.00 42.92 43.06 1bq4 s ASP 216 CO 0.29 -0.73 1.39 -1.84 -0.00 0.00 0.00 175.17 174.29 1bq4 n GLU 217 N -0.79 -0.02 -0.25 2.11 0.28 -1.26 0.18 120.64 120.88 1bq4 n GLU 217 Ca -0.04 1.05 0.07 0.00 -0.16 0.00 0.00 57.16 58.08 1bq4 n GLU 217 Cb 0.66 -2.22 0.20 0.00 1.43 0.00 0.00 31.44 31.52 1bq4 n GLU 217 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1bq4 n ASN 218 N -4.15 2.52 -0.99 -1.84 3.02 -1.26 -4.92 115.26 107.64 1bq4 n ASN 218 Ca 0.38 -2.04 -0.10 0.00 -0.03 0.00 0.00 54.58 52.79 1bq4 n ASN 218 Cb 1.58 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 40.38 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 0.80 -0.52 -4.85 3.41 4.32 0.47 -4.95 117.00 115.69 1bq4 n LEU 219 Ca 0.15 0.24 -0.35 0.00 -0.02 0.00 0.00 56.01 56.03 1bq4 n LEU 219 Cb 0.41 -1.99 -0.06 0.00 -1.62 0.00 0.00 43.42 40.16 1bq4 n LEU 219 CO 0.11 -0.70 0.17 -0.54 -1.22 0.00 0.00 177.39 175.20 1bq4 s LYS 220 N -2.62 3.91 0.25 3.23 -0.14 -1.26 -4.83 119.74 118.28 1bq4 s LYS 220 Ca 0.00 0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 54.70 1bq4 s LYS 220 Cb 0.00 -3.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.05 1bq4 s LYS 220 CO 0.00 0.54 1.46 -2.14 -0.76 0.00 0.00 175.35 174.45 1bq4 s PRO 221 N -1.82 4.25 0.10 -1.68 0.02 -1.26 -2.37 135.00 132.24 1bq4 s PRO 221 Ca 0.34 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.59 1bq4 s PRO 221 Cb -0.15 -3.10 -0.17 0.00 0.02 0.00 0.00 34.50 31.10 1bq4 s PRO 221 CO 0.18 -0.46 1.26 0.77 -0.33 0.00 0.00 177.00 178.42 1bq4 h SER 222 N 5.11 0.82 -5.14 2.53 0.02 0.10 -3.47 113.55 113.52 1bq4 h SER 222 Ca -0.46 -0.62 -0.09 0.00 -0.84 0.00 0.00 61.79 59.78 1bq4 h SER 222 Cb 1.22 -0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.36 1bq4 h SER 222 CO 0.79 1.42 -0.40 -1.59 -1.14 0.00 0.00 176.83 175.91 1bq4 s LYS 223 N -3.43 0.79 0.08 3.45 -2.85 -1.25 -5.07 119.74 111.46 1bq4 s LYS 223 Ca -0.09 -0.91 -0.37 0.00 -1.00 0.00 0.00 55.97 53.61 1bq4 s LYS 223 Cb 0.08 0.32 -0.18 0.00 -2.06 0.00 0.00 37.83 35.99 1bq4 s LYS 223 CO 0.90 -0.24 1.13 -0.35 0.10 0.00 0.00 175.35 176.89 1bq4 n PRO 224 N 0.12 0.58 -1.61 1.78 -0.04 -1.26 -4.56 135.00 130.01 1bq4 n PRO 224 Ca -0.16 0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 1bq4 n PRO 224 Cb 0.62 -1.71 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1bq4 n PRO 224 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bq4 n SER 225 N 1.96 0.87 -3.85 3.54 3.41 -1.26 -4.87 113.62 113.41 1bq4 n SER 225 Ca 0.18 0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1bq4 n SER 225 Cb 0.16 -1.41 -0.11 0.00 -0.26 0.00 0.00 64.21 62.58 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 -1.53 -0.07 0.12 7.33 1.13 -1.05 -5.00 117.35 118.28 1bq4 s TYR 226 Ca 0.77 0.16 -0.20 0.00 -1.41 0.00 0.00 57.07 56.40 1bq4 s TYR 226 Cb -0.40 0.01 -0.07 0.00 -1.10 0.00 0.00 41.96 40.39 1bq4 s TYR 226 CO 0.46 -0.16 0.63 0.71 -2.51 0.00 0.00 175.55 174.67 1bq4 s TYR 227 N -0.54 3.78 -2.00 -3.49 2.02 -1.26 -1.85 117.35 114.00 1bq4 s TYR 227 Ca -0.06 1.33 0.06 0.00 -0.37 0.00 0.00 57.07 58.02 1bq4 s TYR 227 Cb -0.04 -2.55 0.33 0.00 -0.40 0.00 0.00 41.96 39.30 1bq4 s TYR 227 CO 0.01 0.52 0.82 1.28 -1.57 0.00 0.00 175.55 176.61 1bq4 n LEU 228 N 1.43 0.00 -2.88 -1.29 4.77 -1.16 -2.96 117.00 114.92 1bq4 n LEU 228 Ca -0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1bq4 n LEU 228 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1bq4 n LEU 228 CO 0.43 0.00 0.06 -0.67 -1.33 0.00 0.00 177.39 175.87 1bq4 n ASP 229 N -0.66 -2.27 0.05 -1.43 4.64 -1.26 -4.95 116.55 110.66 1bq4 n ASP 229 Ca 0.04 -3.06 0.20 0.00 -1.38 0.00 0.00 54.79 50.59 1bq4 n ASP 229 Cb 0.02 1.20 0.73 0.00 -1.04 0.00 0.00 41.12 42.03 1bq4 n ASP 229 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1bq4 h PRO 230 N 4.28 0.00 0.23 -0.67 0.11 -1.94 -2.76 132.00 131.26 1bq4 h PRO 230 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1bq4 h PRO 230 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bq4 h PRO 230 CO 0.30 0.00 -0.11 1.05 -0.21 0.00 0.00 178.00 179.03 1bq4 h GLU 231 N 0.00 -0.30 0.00 1.05 9.09 -1.96 0.67 114.58 123.14 1bq4 h GLU 231 Ca 0.22 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.65 1bq4 h GLU 231 Cb 1.01 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 1bq4 h GLU 231 CO -0.00 -0.20 0.02 0.00 0.05 0.00 0.00 179.01 178.88 1bq4 n ALA 232 N -2.27 0.97 -0.09 1.06 0.00 -1.21 0.17 120.51 119.14 1bq4 n ALA 232 Ca -0.04 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1bq4 n ALA 232 Cb 0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 1bq4 n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq4 n ALA 233 N -1.52 0.64 0.76 0.00 0.00 -1.04 -4.20 120.51 115.14 1bq4 n ALA 233 Ca -0.00 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.03 1bq4 n ALA 233 Cb 0.02 -0.15 0.48 0.00 0.00 0.00 0.00 19.45 19.81 1bq4 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq4 n ALA 234 N -3.69 2.03 1.91 0.00 0.00 0.23 -4.92 120.51 116.08 1bq4 n ALA 234 Ca -0.18 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.34 1bq4 n ALA 234 Cb 0.45 -1.37 0.87 0.00 0.00 0.00 0.00 19.45 19.40 1bq4 n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50