#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnq s VAL 3 N 0.00 5.36 -0.21 1.61 1.01 -1.26 -3.44 120.40 123.48 2bnq s VAL 3 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2bnq s VAL 3 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2bnq s VAL 3 CO 0.00 0.37 -0.17 0.42 0.00 0.00 0.00 175.10 175.72 2bnq s THR 4 N 0.86 2.12 0.02 3.92 -4.23 0.37 -4.51 115.64 114.18 2bnq s THR 4 Ca 0.08 -1.17 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 2bnq s THR 4 Cb -0.13 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 2bnq s THR 4 CO 0.03 0.35 -0.25 0.00 -0.54 0.00 0.00 174.62 174.21 2bnq s GLN 5 N 1.23 1.79 0.04 3.99 -2.07 -1.26 -1.18 119.66 122.19 2bnq s GLN 5 Ca 0.00 -0.99 -0.03 0.00 -1.82 0.00 0.00 55.36 52.52 2bnq s GLN 5 Cb -0.15 -1.86 -0.02 0.00 -1.09 0.00 0.00 33.01 29.88 2bnq s GLN 5 CO -0.10 0.49 0.05 0.95 -1.32 0.00 0.00 175.29 175.36 2bnq s THR 6 N -0.71 0.14 0.66 3.63 -4.23 -0.79 -4.59 115.64 109.75 2bnq s THR 6 Ca 0.10 -1.18 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2bnq s THR 6 Cb -0.10 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.91 2bnq s THR 6 CO 0.01 -0.65 0.99 -2.16 -0.54 0.00 0.00 174.62 172.27 2bnq s PRO 7 N -2.58 2.63 0.15 3.99 0.04 -1.26 -0.30 135.00 137.67 2bnq s PRO 7 Ca -0.05 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.06 2bnq s PRO 7 Cb -0.02 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2bnq s PRO 7 CO -0.05 -0.98 1.35 -0.22 0.04 0.00 0.00 177.00 177.15 2bnq h LYS 8 N -0.44 0.05 -3.89 4.56 3.64 -1.82 -3.41 116.57 115.25 2bnq h LYS 8 Ca -0.45 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 2bnq h LYS 8 Cb 1.28 0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.85 2bnq h LYS 8 CO 0.61 0.93 -0.72 -0.06 -2.27 0.00 0.00 179.45 177.94 2bnq s PHE 9 N -2.96 0.14 -0.23 1.91 0.08 -1.26 -0.73 117.98 114.92 2bnq s PHE 9 Ca -0.00 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.71 2bnq s PHE 9 Cb 0.10 -0.09 0.06 0.00 -0.57 0.00 0.00 43.02 42.52 2bnq s PHE 9 CO 0.81 -0.04 0.62 -1.14 -0.10 0.00 0.00 175.22 175.37 2bnq s GLN 10 N -0.34 0.71 -0.06 0.44 2.00 -0.30 -4.95 119.66 117.15 2bnq s GLN 10 Ca -0.03 0.89 0.04 0.00 -2.00 0.00 0.00 55.36 54.25 2bnq s GLN 10 Cb -0.02 0.32 -0.02 0.00 0.80 0.00 0.00 33.01 34.08 2bnq s GLN 10 CO -0.00 -0.09 -0.17 0.08 -0.50 0.00 0.00 175.29 174.61 2bnq s VAL 11 N 0.48 2.83 0.04 1.34 1.01 -1.26 -1.79 120.40 123.06 2bnq s VAL 11 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2bnq s VAL 11 Cb -0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2bnq s VAL 11 CO -0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 2bnq s LEU 12 N -0.43 2.30 0.16 3.92 1.43 -0.07 -4.97 118.68 121.02 2bnq s LEU 12 Ca 0.05 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2bnq s LEU 12 Cb -0.12 -0.05 -0.06 0.00 0.03 0.00 0.00 46.19 45.99 2bnq s LEU 12 CO 0.02 -0.29 0.43 -0.75 0.23 0.00 0.00 176.35 175.99 2bnq s LYS 13 N -1.99 3.70 0.20 1.70 2.20 -1.26 0.16 119.74 124.45 2bnq s LYS 13 Ca -0.08 0.06 -0.32 0.00 -0.36 0.00 0.00 55.97 55.27 2bnq s LYS 13 Cb -0.07 -2.81 -0.14 0.00 -1.51 0.00 0.00 37.83 33.30 2bnq s LYS 13 CO -0.01 0.44 1.44 2.41 -0.36 0.00 0.00 175.35 179.27 2bnq n THR 14 N 0.16 0.60 0.00 3.43 -1.04 0.21 -1.66 114.28 115.97 2bnq n THR 14 Ca -0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2bnq n THR 14 Cb 0.52 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2bnq n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnq n GLY 15 N 2.56 2.44 3.80 3.41 0.00 0.10 -4.94 105.19 112.56 2bnq n GLY 15 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2bnq n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bnq s GLN 16 N -0.82 3.41 0.24 1.61 -0.21 -0.66 -4.26 119.66 118.97 2bnq s GLN 16 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 55.36 56.66 2bnq s GLN 16 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 2bnq s GLN 16 CO 0.00 -0.74 0.11 -1.54 -2.12 0.00 0.00 175.29 171.00 2bnq s SER 17 N -2.72 5.14 -0.07 5.90 1.04 -1.25 -0.22 113.70 121.51 2bnq s SER 17 Ca 0.64 -0.39 -0.31 0.00 0.48 0.00 0.00 55.95 56.37 2bnq s SER 17 Cb -0.16 -1.19 0.12 0.00 0.10 0.00 0.00 66.02 64.89 2bnq s SER 17 CO 0.35 -0.01 0.99 -0.32 0.98 0.00 0.00 173.24 175.23 2bnq s MET 18 N -3.67 0.65 -0.07 4.02 0.00 -0.26 -4.99 119.30 114.97 2bnq s MET 18 Ca 0.32 -0.21 0.02 0.00 0.00 0.00 0.00 55.69 55.82 2bnq s MET 18 Cb -0.08 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.07 2bnq s MET 18 CO 0.23 -0.28 -0.13 0.95 0.00 0.00 0.00 175.02 175.79 2bnq s THR 19 N -2.73 1.20 -0.14 10.11 -4.23 -1.26 0.15 115.64 118.74 2bnq s THR 19 Ca 0.06 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 2bnq s THR 19 Cb -0.01 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 2bnq s THR 19 CO -0.07 0.37 0.36 -0.76 -0.54 0.00 0.00 174.62 173.98 2bnq s LEU 20 N 0.66 4.27 0.12 4.79 1.43 0.16 -4.77 118.68 125.34 2bnq s LEU 20 Ca -0.15 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 2bnq s LEU 20 Cb -0.16 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 2bnq s LEU 20 CO 0.04 0.08 0.40 -1.10 0.23 0.00 0.00 176.35 176.00 2bnq s GLN 21 N 0.42 3.70 -0.09 1.70 -1.52 0.59 -1.09 119.66 123.37 2bnq s GLN 21 Ca 0.20 0.06 -0.04 0.00 -1.95 0.00 0.00 55.36 53.64 2bnq s GLN 21 Cb -0.14 -2.89 0.05 0.00 -0.22 0.00 0.00 33.01 29.81 2bnq s GLN 21 CO 0.07 0.49 0.18 0.00 -0.25 0.00 0.00 175.29 175.77 2bnq s ALA 23 N 2.17 1.23 -0.03 0.00 0.00 -0.33 -1.64 121.76 123.16 2bnq s ALA 23 Ca 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2bnq s ALA 23 Cb -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2bnq s ALA 23 CO -0.06 0.23 0.07 -1.14 0.00 0.00 0.00 175.76 174.85 2bnq s GLN 24 N -1.26 0.09 -0.28 0.00 -0.44 -0.47 -0.48 119.66 116.82 2bnq s GLN 24 Ca 0.01 0.08 0.09 0.00 -2.50 0.00 0.00 55.36 53.04 2bnq s GLN 24 Cb -0.08 0.04 0.50 0.00 -1.64 0.00 0.00 33.01 31.83 2bnq s GLN 24 CO 0.02 -0.01 1.43 -0.40 0.50 0.00 0.00 175.29 176.83 2bnq n ASP 25 N 3.00 2.35 -0.80 6.67 5.68 -1.22 -4.53 116.55 127.70 2bnq n ASP 25 Ca -0.13 -3.82 0.07 0.00 -0.50 0.00 0.00 54.79 50.42 2bnq n ASP 25 Cb 0.59 -0.62 0.18 0.00 -1.14 0.00 0.00 41.12 40.13 2bnq n ASP 25 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2bnq n MET 26 N -1.13 2.58 -2.35 0.11 2.81 -1.26 -4.86 117.12 113.02 2bnq n MET 26 Ca 0.32 -2.10 -0.19 0.00 -1.81 0.00 0.00 57.70 53.91 2bnq n MET 26 Cb 0.99 -1.34 -0.01 0.00 -0.71 0.00 0.00 33.22 32.15 2bnq n MET 26 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2bnq n ASN 27 N 0.83 -5.43 -4.73 7.83 3.02 -1.26 -4.95 115.26 110.57 2bnq n ASN 27 Ca 0.14 -0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 2bnq n ASN 27 Cb 0.46 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2bnq n ASN 27 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bnq s HIS 28 N -2.94 3.30 0.04 3.10 3.76 -1.26 -4.93 115.29 116.36 2bnq s HIS 28 Ca 0.00 1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 56.12 2bnq s HIS 28 Cb 0.00 -3.56 -0.28 0.00 1.11 0.00 0.00 32.58 29.85 2bnq s HIS 28 CO 0.00 -1.75 1.00 0.93 -0.85 0.00 0.00 174.74 174.07 2bnq h GLU 29 N 5.57 0.26 -5.53 1.40 3.07 -1.84 -3.46 114.58 114.05 2bnq h GLU 29 Ca -0.44 -0.44 -0.59 0.00 -0.50 0.00 0.00 59.36 57.39 2bnq h GLU 29 Cb 1.21 0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 29.19 2bnq h GLU 29 CO 0.78 1.16 -0.22 -0.47 -1.40 0.00 0.00 179.01 178.86 2bnq s TYR 30 N -2.64 3.44 0.04 4.33 6.14 -0.52 -2.47 117.35 125.67 2bnq s TYR 30 Ca -0.06 0.69 0.02 0.00 0.64 0.00 0.00 57.07 58.36 2bnq s TYR 30 Cb 0.07 -2.48 -0.02 0.00 0.42 0.00 0.00 41.96 39.94 2bnq s TYR 30 CO 0.87 0.11 -0.07 -1.64 0.64 0.00 0.00 175.55 175.46 2bnq s MET 31 N 0.88 0.52 0.17 4.97 -1.94 -0.40 -1.04 119.30 122.46 2bnq s MET 31 Ca 0.20 -0.78 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 2bnq s MET 31 Cb -0.14 -0.23 0.04 0.00 2.01 0.00 0.00 34.83 36.50 2bnq s MET 31 CO 0.07 0.03 0.50 -1.54 -0.01 0.00 0.00 175.02 174.07 2bnq s SER 32 N -1.68 -0.29 -0.04 3.03 1.04 0.66 -0.82 113.70 115.60 2bnq s SER 32 Ca -0.09 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2bnq s SER 32 Cb -0.09 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 2bnq s SER 32 CO -0.00 -0.99 -0.17 0.26 0.98 0.00 0.00 173.24 173.32 2bnq s TRP 33 N -3.84 1.64 0.15 5.02 0.52 -0.56 -0.78 118.94 121.10 2bnq s TRP 33 Ca 0.06 -0.44 0.07 0.00 0.02 0.00 0.00 56.10 55.81 2bnq s TRP 33 Cb -0.00 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 2bnq s TRP 33 CO -0.07 -0.14 -0.15 0.71 0.02 0.00 0.00 176.95 177.33 2bnq s TYR 34 N -0.03 1.56 0.04 -1.98 1.51 0.10 -0.38 117.35 118.18 2bnq s TYR 34 Ca -0.02 -0.56 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 2bnq s TYR 34 Cb -0.10 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2bnq s TYR 34 CO 0.02 0.23 -0.20 -0.98 -1.11 0.00 0.00 175.55 173.51 2bnq s ARG 35 N -3.04 1.31 -0.09 -0.62 1.70 -0.78 -0.83 118.95 116.61 2bnq s ARG 35 Ca 0.14 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.51 2bnq s ARG 35 Cb -0.03 -1.41 0.02 0.00 -0.57 0.00 0.00 34.95 32.95 2bnq s ARG 35 CO 0.05 0.36 -0.11 -1.14 -1.08 0.00 0.00 175.30 173.37 2bnq s GLN 36 N -1.17 1.74 0.03 3.89 0.74 -0.22 -1.41 119.66 123.25 2bnq s GLN 36 Ca 0.07 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.10 2bnq s GLN 36 Cb -0.09 -1.55 -0.02 0.00 1.10 0.00 0.00 33.01 32.46 2bnq s GLN 36 CO 0.02 -0.08 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.10 2bnq s ASP 37 N 1.04 0.78 0.06 6.67 1.11 -1.21 -3.38 116.67 121.74 2bnq s ASP 37 Ca -0.07 -0.44 -0.37 0.00 0.18 0.00 0.00 52.55 51.86 2bnq s ASP 37 Cb -0.15 0.01 -0.16 0.00 1.07 0.00 0.00 42.92 43.70 2bnq s ASP 37 CO -0.01 -0.14 1.42 -2.65 1.18 0.00 0.00 175.17 174.97 2bnq n PRO 38 N 1.83 1.32 -1.03 8.23 -0.02 -1.26 -1.07 135.00 143.00 2bnq n PRO 38 Ca -0.20 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 61.74 2bnq n PRO 38 Cb 0.55 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2bnq n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bnq n GLY 39 N 2.83 0.36 0.00 -1.23 0.00 -1.26 -4.80 105.19 101.09 2bnq n GLY 39 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2bnq n GLY 39 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2bnq n MET 40 N -1.40 2.37 0.00 1.61 0.00 -0.23 -5.14 117.12 114.33 2bnq n MET 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2bnq n MET 40 Cb 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 33.22 32.68 2bnq n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bnq n GLY 41 N 1.70 -0.73 3.64 -5.12 0.00 -1.15 -4.65 105.19 98.89 2bnq n GLY 41 Ca 0.00 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2bnq n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnq s LEU 42 N 0.00 4.11 -0.14 0.99 1.43 -1.26 -3.36 118.68 120.45 2bnq s LEU 42 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2bnq s LEU 42 Cb 0.00 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2bnq s LEU 42 CO 0.00 -0.33 -0.15 -0.13 0.23 0.00 0.00 176.35 175.97 2bnq s ARG 43 N 2.20 3.26 0.07 1.70 0.52 -0.50 -4.96 118.95 121.23 2bnq s ARG 43 Ca 0.28 -0.74 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 2bnq s ARG 43 Cb -0.16 -2.59 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 2bnq s ARG 43 CO 0.09 0.11 1.28 -1.17 0.02 0.00 0.00 175.30 175.63 2bnq s LEU 44 N 0.59 4.36 -0.13 2.53 2.96 -1.26 -1.86 118.68 125.87 2bnq s LEU 44 Ca -0.09 2.11 -0.10 0.00 -0.22 0.00 0.00 54.13 55.83 2bnq s LEU 44 Cb -0.16 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2bnq s LEU 44 CO 0.03 -0.55 -0.20 -0.38 -1.32 0.00 0.00 176.35 173.93 2bnq n ILE 45 N 4.02 1.22 -3.88 6.68 -0.00 0.49 0.13 119.36 128.02 2bnq n ILE 45 Ca 0.10 0.24 -0.09 0.00 -0.00 0.00 0.00 62.75 63.00 2bnq n ILE 45 Cb 0.45 -2.24 -0.07 0.00 -0.00 0.00 0.00 39.64 37.77 2bnq n ILE 45 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2bnq s HIS 46 N -2.25 0.19 0.23 1.39 3.76 -1.24 -0.37 115.29 116.99 2bnq s HIS 46 Ca -0.17 -0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 54.02 2bnq s HIS 46 Cb 0.02 -0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 2bnq s HIS 46 CO 0.25 -0.53 0.36 1.52 -0.85 0.00 0.00 174.74 175.49 2bnq s TYR 47 N -3.86 0.59 -0.16 1.40 1.13 -0.57 -1.50 117.35 114.38 2bnq s TYR 47 Ca 0.05 -0.91 -0.11 0.00 -1.41 0.00 0.00 57.07 54.69 2bnq s TYR 47 Cb 0.05 -0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2bnq s TYR 47 CO -0.11 -0.87 0.41 0.45 -2.51 0.00 0.00 175.55 172.92 2bnq s SER 48 N -3.05 -0.48 0.00 -0.18 0.15 0.00 -0.50 113.70 109.65 2bnq s SER 48 Ca 0.26 0.86 0.22 0.00 0.70 0.00 0.00 55.95 58.00 2bnq s SER 48 Cb 0.02 0.79 0.51 0.00 -1.71 0.00 0.00 66.02 65.63 2bnq s SER 48 CO 0.09 -0.17 1.44 1.33 1.20 0.00 0.00 173.24 177.13 2bnq n VAL 49 N 3.69 0.59 0.00 4.45 0.24 -1.26 -1.28 118.33 124.75 2bnq n VAL 49 Ca -0.19 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2bnq n VAL 49 Cb 0.56 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 2bnq n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bnq n GLY 50 N 1.49 1.74 3.73 7.63 0.00 -1.03 -4.43 105.19 114.32 2bnq n GLY 50 Ca 0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2bnq n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnq n ALA 51 N -0.80 2.62 -0.68 4.61 0.00 -1.26 -2.26 120.51 122.74 2bnq n ALA 51 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2bnq n ALA 51 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2bnq n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnq n GLY 52 N 2.83 0.63 3.14 0.00 0.00 0.15 -5.01 105.19 106.94 2bnq n GLY 52 Ca 0.11 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2bnq n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bnq s ILE 53 N -2.00 -0.02 -0.00 -0.61 1.09 -0.96 -5.05 121.20 113.65 2bnq s ILE 53 Ca 0.00 0.07 -0.13 0.00 -1.10 0.00 0.00 60.65 59.49 2bnq s ILE 53 Cb 0.00 -0.43 0.02 0.00 -1.06 0.00 0.00 42.46 40.99 2bnq s ILE 53 CO 0.00 0.03 0.27 0.42 -0.10 0.00 0.00 174.94 175.56 2bnq s THR 54 N 0.78 0.07 0.05 2.92 -4.23 -1.26 -4.16 115.64 109.80 2bnq s THR 54 Ca -0.05 -0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 2bnq s THR 54 Cb -0.06 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 2bnq s THR 54 CO -0.05 -0.31 -0.01 -1.81 -0.54 0.00 0.00 174.62 171.91 2bnq s ASP 55 N -1.44 0.42 0.38 3.99 1.11 0.35 -4.99 116.67 116.49 2bnq s ASP 55 Ca -0.13 -0.90 -0.24 0.00 0.18 0.00 0.00 52.55 51.46 2bnq s ASP 55 Cb -0.05 0.20 -0.10 0.00 1.07 0.00 0.00 42.92 44.05 2bnq s ASP 55 CO 0.03 -0.58 1.00 -1.10 1.18 0.00 0.00 175.17 175.70 2bnq s GLN 56 N -3.61 4.32 0.00 8.23 -0.21 -1.26 -1.51 119.66 125.61 2bnq s GLN 56 Ca 0.04 1.40 0.00 0.00 0.02 0.00 0.00 55.36 56.82 2bnq s GLN 56 Cb 0.06 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.48 2bnq s GLN 56 CO -0.09 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 2bnq n GLY 57 N 0.29 2.18 0.14 3.09 0.00 0.50 -4.81 105.19 106.57 2bnq n GLY 57 Ca 0.04 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 2bnq n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bnq h GLU 58 N 0.00 0.39 -2.14 1.61 4.81 -0.51 -3.40 114.58 115.35 2bnq h GLU 58 Ca 0.00 -0.56 -0.55 0.00 -0.13 0.00 0.00 59.36 58.12 2bnq h GLU 58 Cb 0.00 0.19 -0.41 0.00 0.63 0.00 0.00 28.75 29.16 2bnq h GLU 58 CO 0.00 1.23 -0.88 1.33 -0.73 0.00 0.00 179.01 179.96 2bnq n VAL 59 N -3.66 1.39 0.15 0.32 0.24 -0.65 -4.93 118.33 111.18 2bnq n VAL 59 Ca -0.09 -4.98 -0.00 0.00 -2.04 0.00 0.00 64.34 57.22 2bnq n VAL 59 Cb 0.97 -1.23 0.23 0.00 -1.47 0.00 0.00 33.84 32.33 2bnq n VAL 59 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2bnq h PRO 60 N 3.33 0.02 -6.25 7.34 0.13 -1.77 -3.43 132.00 131.37 2bnq h PRO 60 Ca 0.12 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.56 2bnq h PRO 60 Cb 0.73 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.89 2bnq h PRO 60 CO 0.67 0.55 0.81 0.09 -0.23 0.00 0.00 178.00 179.89 2bnq n ASN 61 N -3.90 2.50 0.00 1.44 5.03 -1.26 -1.69 115.26 117.37 2bnq n ASN 61 Ca -0.01 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.50 2bnq n ASN 61 Cb 0.55 -1.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.07 2bnq n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bnq n GLY 62 N 3.70 0.63 3.30 7.41 0.00 -1.26 -5.06 105.19 113.91 2bnq n GLY 62 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2bnq n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bnq s TYR 63 N -2.32 1.81 0.00 1.61 2.02 -0.68 -4.38 117.35 115.41 2bnq s TYR 63 Ca 0.00 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2bnq s TYR 63 Cb 0.00 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.59 2bnq s TYR 63 CO 0.00 0.25 -0.03 -0.80 -1.57 0.00 0.00 175.55 173.40 2bnq s ASN 64 N -2.15 0.35 0.25 2.29 -0.87 -0.50 -4.98 114.94 109.33 2bnq s ASN 64 Ca 0.09 -0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.33 2bnq s ASN 64 Cb -0.09 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.25 41.06 2bnq s ASN 64 CO 0.05 0.02 0.04 0.68 -2.57 0.00 0.00 177.10 175.31 2bnq s VAL 65 N -0.16 0.87 -0.08 1.60 -7.23 -1.26 -0.04 120.40 114.10 2bnq s VAL 65 Ca 0.00 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 2bnq s VAL 65 Cb -0.02 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.49 2bnq s VAL 65 CO -0.00 -0.19 0.45 -0.94 -0.31 0.00 0.00 175.10 174.11 2bnq s SER 66 N -3.32 -0.41 -0.54 4.85 1.04 -1.24 -5.03 113.70 109.06 2bnq s SER 66 Ca 0.32 0.53 0.05 0.00 0.48 0.00 0.00 55.95 57.34 2bnq s SER 66 Cb 0.07 0.59 0.19 0.00 0.10 0.00 0.00 66.02 66.97 2bnq s SER 66 CO 0.11 -0.39 0.47 -1.14 0.98 0.00 0.00 173.24 173.27 2bnq n ARG 67 N 1.72 1.10 0.08 4.02 3.00 -1.26 -3.94 116.66 121.39 2bnq n ARG 67 Ca -0.18 -3.80 -0.01 0.00 -0.00 0.00 0.00 57.85 53.85 2bnq n ARG 67 Cb 0.56 -1.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.10 2bnq n ARG 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2bnq h SER 68 N 5.13 0.00 -2.98 6.15 4.64 -1.93 0.43 113.55 124.99 2bnq h SER 68 Ca 0.19 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.02 2bnq h SER 68 Cb 0.82 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.77 2bnq h SER 68 CO 0.56 0.66 -0.64 0.42 -0.87 0.00 0.00 176.83 176.96 2bnq s THR 69 N -2.87 1.46 0.13 2.95 -4.23 -1.26 -4.77 115.64 107.05 2bnq s THR 69 Ca 0.01 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 2bnq s THR 69 Cb 0.08 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 2bnq s THR 69 CO 0.78 -0.14 1.42 0.74 -0.54 0.00 0.00 174.62 176.88 2bnq h THR 70 N 2.16 1.27 0.04 3.99 2.02 -1.95 -3.35 112.91 117.10 2bnq h THR 70 Ca -0.41 -1.71 -0.22 0.00 0.77 0.00 0.00 66.41 64.84 2bnq h THR 70 Cb 1.24 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2bnq h THR 70 CO 0.70 0.56 -1.00 -0.33 0.37 0.00 0.00 175.52 175.81 2bnq h GLU 71 N 0.68 0.22 -6.23 6.66 3.07 -1.90 -3.45 114.58 113.63 2bnq h GLU 71 Ca 0.02 -0.29 -0.67 0.00 -0.50 0.00 0.00 59.36 57.92 2bnq h GLU 71 Cb 1.13 0.09 -0.15 0.00 -0.84 0.00 0.00 28.75 28.99 2bnq h GLU 71 CO 0.12 1.05 -0.67 -0.51 -1.40 0.00 0.00 179.01 177.60 2bnq s ASP 72 N -6.98 4.88 -0.42 1.42 1.01 -1.26 -1.36 116.67 113.96 2bnq s ASP 72 Ca -0.03 -0.08 0.05 0.00 0.71 0.00 0.00 52.55 53.20 2bnq s ASP 72 Cb 0.09 -1.21 0.20 0.00 1.01 0.00 0.00 42.92 43.01 2bnq s ASP 72 CO 0.85 0.28 0.44 0.33 0.21 0.00 0.00 175.17 177.28 2bnq n PHE 73 N 1.43 -1.13 -2.10 4.23 7.35 -0.65 -4.50 117.46 122.08 2bnq n PHE 73 Ca -0.15 -3.15 -0.41 0.00 -0.76 0.00 0.00 57.45 52.99 2bnq n PHE 73 Cb 0.53 0.26 -0.02 0.00 0.35 0.00 0.00 39.48 40.59 2bnq n PHE 73 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2bnq s PRO 74 N -0.18 4.33 -0.22 -7.13 0.02 -1.25 -4.18 135.00 126.38 2bnq s PRO 74 Ca 0.33 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.52 2bnq s PRO 74 Cb 0.08 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 2bnq s PRO 74 CO -0.16 -0.30 -0.03 -1.17 -0.33 0.00 0.00 177.00 175.00 2bnq s LEU 75 N -0.76 2.97 -0.06 -5.54 2.96 -0.25 -3.60 118.68 114.40 2bnq s LEU 75 Ca 0.55 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2bnq s LEU 75 Cb -0.40 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2bnq s LEU 75 CO 0.45 -0.01 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.71 2bnq s ARG 76 N 1.41 2.64 -0.38 1.98 3.52 0.94 0.36 118.95 129.43 2bnq s ARG 76 Ca 0.05 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2bnq s ARG 76 Cb -0.14 -2.38 0.08 0.00 -1.56 0.00 0.00 34.95 30.95 2bnq s ARG 76 CO -0.02 0.52 0.18 -0.51 -0.81 0.00 0.00 175.30 174.65 2bnq s LEU 77 N -0.46 4.87 0.21 -0.88 1.02 0.12 -1.41 118.68 122.15 2bnq s LEU 77 Ca 0.05 -1.60 -0.06 0.00 0.02 0.00 0.00 54.13 52.54 2bnq s LEU 77 Cb -0.12 -1.87 0.16 0.00 0.02 0.00 0.00 46.19 44.38 2bnq s LEU 77 CO 0.02 -0.47 1.67 -0.07 0.02 0.00 0.00 176.35 177.52 2bnq h LEU 78 N 8.19 0.94 -6.46 1.79 3.38 -1.82 -0.69 115.31 120.65 2bnq h LEU 78 Ca -0.19 -0.27 -0.47 0.00 0.09 0.00 0.00 57.88 57.04 2bnq h LEU 78 Cb 1.07 -0.25 -0.35 0.00 0.09 0.00 0.00 40.66 41.22 2bnq h LEU 78 CO 0.68 1.01 -0.77 -0.55 0.09 0.00 0.00 178.44 178.91 2bnq s SER 79 N -6.62 2.02 0.21 -0.43 0.15 -1.26 -3.96 113.70 103.81 2bnq s SER 79 Ca -0.11 -1.90 -0.32 0.00 0.70 0.00 0.00 55.95 54.32 2bnq s SER 79 Cb 0.14 0.10 -0.14 0.00 -1.71 0.00 0.00 66.02 64.40 2bnq s SER 79 CO 0.84 -0.28 1.29 0.00 1.20 0.00 0.00 173.24 176.30 2bnq n ALA 80 N 4.11 0.27 -2.54 5.45 0.00 0.70 -4.61 120.51 123.90 2bnq n ALA 80 Ca 0.12 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.76 2bnq n ALA 80 Cb 0.41 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 2bnq n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnq s ALA 81 N -0.15 1.79 0.51 0.00 0.00 -1.26 0.02 121.76 122.68 2bnq s ALA 81 Ca 0.70 -1.27 0.26 0.00 0.00 0.00 0.00 51.96 51.65 2bnq s ALA 81 Cb -0.74 -0.22 1.36 0.00 0.00 0.00 0.00 23.12 23.52 2bnq s ALA 81 CO 0.51 0.32 1.93 -1.35 0.00 0.00 0.00 175.76 177.17 2bnq h PRO 82 N 3.94 0.09 0.00 0.00 0.11 -1.96 0.25 132.00 134.44 2bnq h PRO 82 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bnq h PRO 82 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bnq h PRO 82 CO 0.42 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 2bnq n SER 83 N -4.36 0.35 -0.67 -2.05 3.41 -1.26 -1.93 113.62 107.11 2bnq n SER 83 Ca 0.15 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2bnq n SER 83 Cb 0.75 -0.68 0.36 0.00 -0.26 0.00 0.00 64.21 64.38 2bnq n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bnq n GLN 84 N -1.92 1.90 -2.09 4.33 6.02 0.87 -4.84 117.38 121.66 2bnq n GLN 84 Ca 0.02 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.00 55.25 2bnq n GLN 84 Cb 0.14 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2bnq n GLN 84 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2bnq s THR 85 N -1.81 3.49 -0.00 5.09 2.01 -0.81 -4.86 115.64 118.75 2bnq s THR 85 Ca 0.34 0.83 -0.12 0.00 0.31 0.00 0.00 61.69 63.05 2bnq s THR 85 Cb 0.19 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 69.21 2bnq s THR 85 CO 0.29 -0.02 0.54 -0.24 -0.69 0.00 0.00 174.62 174.49 2bnq n SER 86 N 5.92 -0.52 -4.34 3.53 2.88 -0.54 -5.00 113.62 115.55 2bnq n SER 86 Ca 0.15 -1.12 -0.34 0.00 -1.33 0.00 0.00 58.87 56.23 2bnq n SER 86 Cb 0.42 0.81 -0.14 0.00 -0.75 0.00 0.00 64.21 64.55 2bnq n SER 86 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bnq s VAL 87 N -2.11 3.12 -0.11 2.46 1.01 -1.22 -1.59 120.40 121.96 2bnq s VAL 87 Ca 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2bnq s VAL 87 Cb -0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2bnq s VAL 87 CO -0.00 0.50 0.01 -0.31 0.00 0.00 0.00 175.10 175.29 2bnq s TYR 88 N 0.73 3.17 -0.06 5.22 1.51 0.83 -1.06 117.35 127.70 2bnq s TYR 88 Ca -0.05 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 2bnq s TYR 88 Cb -0.15 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 2bnq s TYR 88 CO 0.02 0.36 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.59 2bnq s PHE 89 N -0.53 1.81 -0.12 2.71 0.08 -0.01 -0.87 117.98 121.04 2bnq s PHE 89 Ca 0.09 -0.61 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 2bnq s PHE 89 Cb -0.12 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2bnq s PHE 89 CO 0.02 -0.25 0.12 0.00 -0.10 0.00 0.00 175.22 175.01 2bnq s ALA 91 N -0.90 0.44 0.20 0.00 0.00 0.04 0.05 121.76 121.59 2bnq s ALA 91 Ca 0.14 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2bnq s ALA 91 Cb -0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2bnq s ALA 91 CO 0.03 0.02 -0.06 -1.54 0.00 0.00 0.00 175.76 174.21 2bnq s SER 92 N 0.52 1.94 0.11 0.00 1.04 -0.44 -0.25 113.70 116.63 2bnq s SER 92 Ca -0.06 -1.11 -0.26 0.00 0.48 0.00 0.00 55.95 55.00 2bnq s SER 92 Cb -0.09 -0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.08 2bnq s SER 92 CO -0.01 -0.39 1.05 -0.94 0.98 0.00 0.00 173.24 173.94 2bnq s SER 93 N -3.26 -0.13 0.72 7.02 1.04 -0.21 -0.78 113.70 118.10 2bnq s SER 93 Ca 0.23 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 2bnq s SER 93 Cb 0.04 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2bnq s SER 93 CO 0.05 -0.75 1.10 -0.31 0.98 0.00 0.00 173.24 174.31 2bnq s TYR 94 N -2.97 3.24 -0.48 5.02 1.51 -1.26 -1.44 117.35 120.97 2bnq s TYR 94 Ca 0.14 0.96 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 2bnq s TYR 94 Cb 0.00 -3.14 0.58 0.00 -0.11 0.00 0.00 41.96 39.29 2bnq s TYR 94 CO 0.01 -1.29 1.87 1.33 -1.11 0.00 0.00 175.55 176.36 2bnq n VAL 95 N -3.05 3.21 -2.02 0.71 0.24 -1.26 -4.69 118.33 111.48 2bnq n VAL 95 Ca 0.07 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 59.99 2bnq n VAL 95 Cb 0.58 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2bnq n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bnq n GLY 96 N -1.07 1.72 7.00 7.63 0.00 -1.26 -5.06 105.19 114.14 2bnq n GLY 96 Ca 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2bnq n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bnq n ASN 97 N 0.00 0.00 0.20 1.61 2.85 -1.26 -1.33 115.26 117.32 2bnq n ASN 97 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 2bnq n ASN 97 Cb 0.00 0.00 0.37 0.00 1.24 0.00 0.00 39.78 41.39 2bnq n ASN 97 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2bnq h THR 98 N 0.00 0.00 -0.09 -0.44 1.35 -2.00 -3.47 112.91 108.26 2bnq h THR 98 Ca 0.00 -0.70 -0.04 0.00 -0.55 0.00 0.00 66.41 65.12 2bnq h THR 98 Cb 0.00 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2bnq h THR 98 CO 0.00 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.84 2bnq n GLY 99 N 0.81 0.51 3.69 5.82 0.00 -0.44 -4.98 105.19 110.60 2bnq n GLY 99 Ca 0.03 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 2bnq n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bnq n GLU 100 N -2.12 2.20 -3.37 1.61 2.13 -1.26 -4.82 120.64 115.02 2bnq n GLU 100 Ca -0.02 0.78 -0.38 0.00 0.66 0.00 0.00 57.16 58.20 2bnq n GLU 100 Cb 0.17 -2.45 -0.06 0.00 0.27 0.00 0.00 31.44 29.37 2bnq n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bnq s LEU 101 N -0.29 4.49 -0.21 4.31 1.43 -1.26 -4.46 118.68 122.69 2bnq s LEU 101 Ca 0.64 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2bnq s LEU 101 Cb -0.60 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 42.90 2bnq s LEU 101 CO 0.52 0.28 -0.15 -0.36 0.23 0.00 0.00 176.35 176.87 2bnq s PHE 102 N -0.98 2.84 0.12 0.29 0.08 0.04 -4.96 117.98 115.41 2bnq s PHE 102 Ca 0.27 -1.82 -0.11 0.00 0.12 0.00 0.00 56.93 55.38 2bnq s PHE 102 Cb -0.18 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2bnq s PHE 102 CO 0.16 -0.81 0.47 -0.06 -0.10 0.00 0.00 175.22 174.88 2bnq s PHE 103 N 1.26 3.57 0.85 0.36 0.40 -1.26 -1.33 117.98 121.83 2bnq s PHE 103 Ca -0.00 0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 57.10 2bnq s PHE 103 Cb -0.16 -2.25 0.10 0.00 0.51 0.00 0.00 43.02 41.23 2bnq s PHE 103 CO -0.10 0.45 1.17 0.20 0.70 0.00 0.00 175.22 177.65 2bnq s GLY 104 N -1.83 1.59 0.27 4.36 0.00 0.11 -4.77 107.32 107.05 2bnq s GLY 104 Ca 0.37 -0.62 0.23 0.00 0.00 0.00 0.00 44.72 44.70 2bnq s GLY 104 CO 0.19 -0.10 1.70 -2.21 0.00 0.00 0.00 173.10 172.68 2bnq n GLU 105 N -3.49 0.18 0.00 2.90 2.13 -1.26 -4.72 120.64 116.38 2bnq n GLU 105 Ca 0.08 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2bnq n GLU 105 Cb 0.60 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.42 2bnq n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bnq n GLY 106 N -0.30 1.89 2.94 8.31 0.00 -1.26 -5.06 105.19 111.71 2bnq n GLY 106 Ca 0.01 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 2bnq n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bnq s SER 107 N -0.13 1.84 -0.23 1.61 0.01 -0.05 -4.64 113.70 112.10 2bnq s SER 107 Ca 0.00 -0.27 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2bnq s SER 107 Cb 0.00 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 2bnq s SER 107 CO 0.00 -0.06 0.24 -0.13 0.41 0.00 0.00 173.24 173.70 2bnq s ARG 108 N 1.22 4.09 -0.09 12.44 0.52 0.09 -0.12 118.95 137.10 2bnq s ARG 108 Ca -0.05 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2bnq s ARG 108 Cb -0.14 -3.55 0.01 0.00 0.52 0.00 0.00 34.95 31.78 2bnq s ARG 108 CO -0.02 -0.00 -0.19 -1.17 0.02 0.00 0.00 175.30 173.93 2bnq s LEU 109 N 1.23 1.90 -0.14 2.53 2.96 -0.62 -1.15 118.68 125.38 2bnq s LEU 109 Ca 0.11 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2bnq s LEU 109 Cb -0.14 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.40 2bnq s LEU 109 CO 0.06 0.10 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.12 2bnq s THR 110 N 0.49 1.87 -0.24 3.68 2.01 -0.74 -1.46 115.64 121.25 2bnq s THR 110 Ca -0.17 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 2bnq s THR 110 Cb -0.17 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 2bnq s THR 110 CO 0.06 0.51 0.01 -0.69 -0.69 0.00 0.00 174.62 173.83 2bnq s VAL 111 N 1.05 3.82 0.05 3.82 1.01 -1.26 -0.89 120.40 127.99 2bnq s VAL 111 Ca -0.03 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2bnq s VAL 111 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2bnq s VAL 111 CO -0.05 0.37 -0.21 -0.76 0.00 0.00 0.00 175.10 174.45 2bnq s LEU 112 N 1.54 2.47 0.19 3.92 1.43 0.12 -4.39 118.68 123.96 2bnq s LEU 112 Ca 0.06 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 2bnq s LEU 112 Cb -0.15 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.74 2bnq s LEU 112 CO 0.00 0.25 1.65 -0.08 0.23 0.00 0.00 176.35 178.40 2bnq h GLU 113 N 4.57 1.03 -3.93 1.70 4.81 -1.94 0.62 114.58 121.43 2bnq h GLU 113 Ca -0.47 -0.33 -0.40 0.00 -0.13 0.00 0.00 59.36 58.02 2bnq h GLU 113 Cb 1.15 -0.09 -0.34 0.00 0.63 0.00 0.00 28.75 30.10 2bnq h GLU 113 CO 0.46 1.02 -0.77 0.34 -0.73 0.00 0.00 179.01 179.33 2bnq s ASP 114 N -6.61 0.92 0.00 1.04 -1.08 -1.26 -4.53 116.67 105.16 2bnq s ASP 114 Ca -0.11 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.02 2bnq s ASP 114 Cb 0.14 -0.41 1.00 0.00 -1.46 0.00 0.00 42.92 42.19 2bnq s ASP 114 CO 0.85 -0.08 1.66 0.18 0.52 0.00 0.00 175.17 178.31 2bnq n LEU 115 N 4.18 0.00 0.00 -1.34 4.77 -1.26 -3.00 117.00 120.35 2bnq n LEU 115 Ca -0.23 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 2bnq n LEU 115 Cb 0.51 -0.35 0.34 0.00 -2.33 0.00 0.00 43.42 41.58 2bnq n LEU 115 CO 0.22 -0.11 0.71 2.29 -1.33 0.00 0.00 177.39 179.17 2bnq n LYS 116 N -1.35 0.11 0.00 3.23 2.85 -1.26 -1.87 118.16 119.86 2bnq n LYS 116 Ca 0.08 0.20 0.15 0.00 -1.05 0.00 0.00 58.31 57.69 2bnq n LYS 116 Cb 0.19 -1.50 0.76 0.00 -0.65 0.00 0.00 35.03 33.83 2bnq n LYS 116 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2bnq n ASN 117 N -1.38 0.58 -4.68 -5.58 3.02 -1.16 -4.83 115.26 101.21 2bnq n ASN 117 Ca 0.05 -1.12 -0.40 0.00 -0.03 0.00 0.00 54.58 53.09 2bnq n ASN 117 Cb 0.14 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 2bnq n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bnq s VAL 118 N -2.06 5.03 -0.03 2.41 1.01 -0.78 -4.73 120.40 121.25 2bnq s VAL 118 Ca 0.42 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2bnq s VAL 118 Cb 0.21 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2bnq s VAL 118 CO 0.37 0.16 -0.06 -0.36 0.00 0.00 0.00 175.10 175.21 2bnq s PHE 119 N 1.47 0.73 0.70 5.22 0.40 -0.06 -4.75 117.98 121.70 2bnq s PHE 119 Ca 0.32 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 2bnq s PHE 119 Cb -0.16 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.81 2bnq s PHE 119 CO 0.13 -0.11 1.08 -1.25 0.70 0.00 0.00 175.22 175.76 2bnq s PRO 120 N 0.40 2.87 0.48 0.24 0.04 -1.26 -1.04 135.00 136.73 2bnq s PRO 120 Ca -0.05 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 2bnq s PRO 120 Cb -0.09 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2bnq s PRO 120 CO 0.00 -1.07 0.88 -1.25 0.04 0.00 0.00 177.00 175.60 2bnq s PRO 121 N -5.22 3.80 -0.11 0.56 0.04 -1.26 -4.29 135.00 128.52 2bnq s PRO 121 Ca 0.58 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 2bnq s PRO 121 Cb -0.12 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2bnq s PRO 121 CO 0.53 -0.20 0.04 -1.21 0.04 0.00 0.00 177.00 176.21 2bnq s GLU 122 N -4.16 3.23 -0.02 4.56 2.02 -0.38 -4.90 118.70 119.04 2bnq s GLU 122 Ca 0.54 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.26 2bnq s GLU 122 Cb -0.10 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 2bnq s GLU 122 CO 0.35 0.67 -0.20 0.08 0.02 0.00 0.00 175.26 176.19 2bnq s VAL 123 N -0.76 1.56 -0.00 2.63 1.01 -1.26 -0.79 120.40 122.78 2bnq s VAL 123 Ca 0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2bnq s VAL 123 Cb -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2bnq s VAL 123 CO 0.03 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.60 2bnq s ALA 124 N -0.37 -0.06 -0.10 5.51 0.00 -0.64 -4.59 121.76 121.51 2bnq s ALA 124 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2bnq s ALA 124 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2bnq s ALA 124 CO -0.00 -0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.60 2bnq s VAL 125 N -0.75 3.07 -0.11 0.00 1.01 -1.26 -0.88 120.40 121.48 2bnq s VAL 125 Ca -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2bnq s VAL 125 Cb -0.05 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2bnq s VAL 125 CO -0.00 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.20 2bnq s PHE 126 N -0.01 2.90 0.36 5.22 0.40 0.96 -4.97 117.98 122.84 2bnq s PHE 126 Ca -0.04 -0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 2bnq s PHE 126 Cb -0.14 -1.81 -0.10 0.00 0.51 0.00 0.00 43.02 41.48 2bnq s PHE 126 CO 0.04 0.06 0.92 -1.21 0.70 0.00 0.00 175.22 175.73 2bnq s GLU 127 N -0.15 4.39 0.56 0.44 2.02 -1.26 -2.05 118.70 122.66 2bnq s GLU 127 Ca 0.01 1.18 -0.21 0.00 0.02 0.00 0.00 54.97 55.97 2bnq s GLU 127 Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2bnq s GLU 127 CO 0.03 0.16 1.34 -0.35 0.02 0.00 0.00 175.26 176.46 2bnq n PRO 128 N 0.06 1.61 -2.82 0.39 -0.04 -1.21 -4.92 135.00 128.07 2bnq n PRO 128 Ca 0.04 0.60 -0.32 0.00 -0.04 0.00 0.00 63.50 63.77 2bnq n PRO 128 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2bnq n PRO 128 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bnq s SER 129 N -0.97 6.79 0.39 3.54 1.04 -1.26 -4.96 113.70 118.27 2bnq s SER 129 Ca 0.73 1.51 0.11 0.00 0.48 0.00 0.00 55.95 58.77 2bnq s SER 129 Cb -0.41 -2.47 0.78 0.00 0.10 0.00 0.00 66.02 64.02 2bnq s SER 129 CO 0.48 -0.37 1.90 -0.33 0.98 0.00 0.00 173.24 175.90 2bnq h GLU 130 N 1.73 0.16 -0.51 4.02 5.08 -1.99 -2.33 114.58 120.74 2bnq h GLU 130 Ca -0.48 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2bnq h GLU 130 Cb 1.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2bnq h GLU 130 CO 0.62 0.36 0.20 0.00 -1.00 0.00 0.00 179.01 179.20 2bnq h ALA 131 N 1.65 0.67 -0.59 3.43 0.00 -2.00 -1.80 119.26 120.62 2bnq h ALA 131 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2bnq h ALA 131 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bnq h ALA 131 CO 0.03 0.28 0.16 1.49 0.00 0.00 0.00 179.25 181.21 2bnq h GLU 132 N 0.69 0.93 -0.67 0.00 4.81 -1.80 -0.61 114.58 117.93 2bnq h GLU 132 Ca 0.17 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2bnq h GLU 132 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2bnq h GLU 132 CO -0.01 0.85 0.41 0.82 -0.73 0.00 0.00 179.01 180.34 2bnq h ILE 133 N 0.84 1.07 0.14 2.32 2.04 -1.10 0.43 117.51 123.25 2bnq h ILE 133 Ca 0.19 -0.27 -0.29 0.00 1.00 0.00 0.00 64.86 65.48 2bnq h ILE 133 Cb 0.32 0.20 0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2bnq h ILE 133 CO -0.00 0.15 -1.27 0.77 0.00 0.00 0.00 178.15 177.80 2bnq h SER 134 N 0.80 0.71 -0.34 1.72 4.64 -1.21 -1.17 113.55 118.70 2bnq h SER 134 Ca 0.27 -0.70 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 2bnq h SER 134 Cb 0.05 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2bnq h SER 134 CO -0.12 1.52 -0.23 -0.74 -0.87 0.00 0.00 176.83 176.39 2bnq h HIS 135 N 0.19 0.95 0.00 4.77 6.17 -0.91 -3.37 115.15 122.94 2bnq h HIS 135 Ca -0.18 -0.22 0.00 0.00 0.71 0.00 0.00 60.37 60.68 2bnq h HIS 135 Cb 1.95 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 31.66 2bnq h HIS 135 CO 0.10 0.98 -0.03 0.25 0.71 0.00 0.00 177.93 179.93 2bnq n THR 136 N -4.11 0.00 -1.37 6.26 -2.24 0.12 -4.99 114.28 107.95 2bnq n THR 136 Ca -0.00 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2bnq n THR 136 Cb 0.45 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 2bnq n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bnq n GLN 137 N -0.96 -1.13 -4.39 -0.78 6.02 -0.44 -4.98 117.38 110.72 2bnq n GLN 137 Ca 0.00 0.93 -0.20 0.00 -0.01 0.00 0.00 57.00 57.72 2bnq n GLN 137 Cb 0.00 -5.07 -0.10 0.00 1.02 0.00 0.00 30.24 26.08 2bnq n GLN 137 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bnq s LYS 138 N -3.00 1.45 -0.05 -1.09 1.02 -1.26 -0.81 119.74 115.99 2bnq s LYS 138 Ca 0.00 -1.69 -0.02 0.00 0.02 0.00 0.00 55.97 54.28 2bnq s LYS 138 Cb 0.00 -1.15 0.03 0.00 -0.52 0.00 0.00 37.83 36.18 2bnq s LYS 138 CO 0.00 0.12 0.03 0.00 -0.92 0.00 0.00 175.35 174.58 2bnq s ALA 139 N -2.98 0.44 -0.23 5.17 0.00 0.14 -3.55 121.76 120.76 2bnq s ALA 139 Ca 0.26 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 2bnq s ALA 139 Cb 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2bnq s ALA 139 CO 0.10 -0.45 0.09 0.99 0.00 0.00 0.00 175.76 176.48 2bnq s THR 140 N 2.01 4.67 -0.02 0.00 2.01 -1.26 -0.61 115.64 122.45 2bnq s THR 140 Ca 0.04 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 2bnq s THR 140 Cb -0.12 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2bnq s THR 140 CO -0.04 0.37 0.18 -0.76 -0.69 0.00 0.00 174.62 173.67 2bnq s LEU 141 N 1.19 4.35 -0.05 4.42 1.02 0.88 -3.34 118.68 127.15 2bnq s LEU 141 Ca 0.05 0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.59 2bnq s LEU 141 Cb -0.14 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.50 2bnq s LEU 141 CO 0.04 0.27 -0.18 0.68 0.02 0.00 0.00 176.35 177.18 2bnq s VAL 142 N -1.30 1.50 -0.11 -1.59 -7.23 -0.87 -1.03 120.40 109.76 2bnq s VAL 142 Ca 0.26 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 2bnq s VAL 142 Cb -0.13 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 2bnq s VAL 142 CO 0.17 0.43 -0.08 0.00 -0.31 0.00 0.00 175.10 175.32 2bnq s LEU 144 N -0.10 1.95 -0.27 0.00 1.43 -0.06 -1.32 118.68 120.32 2bnq s LEU 144 Ca 0.00 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2bnq s LEU 144 Cb -0.13 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 2bnq s LEU 144 CO 0.03 0.02 0.07 0.00 0.23 0.00 0.00 176.35 176.70 2bnq s ALA 145 N 1.09 3.10 0.16 4.21 0.00 -0.04 -1.61 121.76 128.65 2bnq s ALA 145 Ca -0.02 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.74 2bnq s ALA 145 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2bnq s ALA 145 CO -0.06 -0.67 -0.14 0.95 0.00 0.00 0.00 175.76 175.84 2bnq s THR 146 N 1.56 1.47 -1.62 0.00 -4.23 0.03 -0.06 115.64 112.78 2bnq s THR 146 Ca 0.05 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2bnq s THR 146 Cb -0.16 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2bnq s THR 146 CO 0.03 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2bnq n GLY 147 N 0.07 0.34 3.93 3.99 0.00 -0.07 -1.25 105.19 112.20 2bnq n GLY 147 Ca -0.12 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 2bnq n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bnq s PHE 148 N -2.80 3.48 -0.28 1.61 -0.71 -0.95 -4.61 117.98 113.72 2bnq s PHE 148 Ca 0.00 0.31 -0.20 0.00 -1.04 0.00 0.00 56.93 56.00 2bnq s PHE 148 Cb 0.00 -1.83 0.10 0.00 -1.21 0.00 0.00 43.02 40.08 2bnq s PHE 148 CO 0.00 0.40 0.80 -0.47 -1.34 0.00 0.00 175.22 174.61 2bnq s TYR 149 N -1.85 -0.81 0.56 3.49 6.14 -0.21 0.41 117.35 125.08 2bnq s TYR 149 Ca 0.38 1.75 -0.09 0.00 0.64 0.00 0.00 57.07 59.75 2bnq s TYR 149 Cb -0.11 0.44 0.13 0.00 0.42 0.00 0.00 41.96 42.85 2bnq s TYR 149 CO 0.29 -0.40 0.63 -0.35 0.64 0.00 0.00 175.55 176.36 2bnq n PRO 150 N 3.43 -1.29 -1.87 4.97 -0.04 -1.26 -0.88 135.00 138.07 2bnq n PRO 150 Ca -0.17 -0.99 -0.42 0.00 -0.04 0.00 0.00 63.50 61.88 2bnq n PRO 150 Cb 0.57 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 2bnq n PRO 150 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bnq n ASP 151 N -3.67 4.09 -3.72 3.54 2.03 -1.26 -4.76 116.55 112.81 2bnq n ASP 151 Ca 0.08 -2.87 -0.28 0.00 0.52 0.00 0.00 54.79 52.24 2bnq n ASP 151 Cb 0.30 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 38.94 2bnq n ASP 151 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2bnq n HIS 152 N 6.05 2.15 -4.10 -0.67 8.25 -1.26 -5.08 115.22 120.56 2bnq n HIS 152 Ca 0.50 -4.03 -0.08 0.00 -0.26 0.00 0.00 57.72 53.85 2bnq n HIS 152 Cb 0.39 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2bnq n HIS 152 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2bnq s VAL 153 N -1.17 0.33 -0.08 1.59 -7.23 -1.26 -1.48 120.40 111.10 2bnq s VAL 153 Ca 0.28 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2bnq s VAL 153 Cb 0.00 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.51 2bnq s VAL 153 CO -0.16 -0.93 0.05 -1.61 -0.31 0.00 0.00 175.10 172.13 2bnq s GLU 154 N -3.70 0.19 -0.12 4.82 2.02 -0.27 -4.96 118.70 116.67 2bnq s GLU 154 Ca 0.06 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.19 2bnq s GLU 154 Cb 0.06 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 2bnq s GLU 154 CO -0.08 -0.39 0.07 -1.17 0.02 0.00 0.00 175.26 173.71 2bnq s LEU 155 N 2.09 3.92 0.02 1.80 0.20 -1.26 -0.48 118.68 124.98 2bnq s LEU 155 Ca 0.04 0.24 -0.05 0.00 0.69 0.00 0.00 54.13 55.05 2bnq s LEU 155 Cb -0.13 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2bnq s LEU 155 CO -0.05 0.34 0.09 -0.94 -0.29 0.00 0.00 176.35 175.50 2bnq s SER 156 N -0.60 0.14 -0.05 3.68 1.04 0.08 -5.00 113.70 112.99 2bnq s SER 156 Ca 0.11 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2bnq s SER 156 Cb -0.12 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2bnq s SER 156 CO 0.02 -0.44 -0.02 0.26 0.98 0.00 0.00 173.24 174.04 2bnq s TRP 157 N -2.08 3.06 -0.09 5.02 0.52 -1.26 -0.31 118.94 123.79 2bnq s TRP 157 Ca -0.09 0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.12 2bnq s TRP 157 Cb -0.04 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.58 2bnq s TRP 157 CO -0.02 0.43 -0.05 -1.58 0.02 0.00 0.00 176.95 175.74 2bnq s TRP 158 N -0.93 1.14 -0.22 -1.98 0.52 0.87 -1.69 118.94 116.63 2bnq s TRP 158 Ca 0.15 -0.47 -0.02 0.00 0.02 0.00 0.00 56.10 55.78 2bnq s TRP 158 Cb -0.11 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.21 2bnq s TRP 158 CO 0.05 -0.39 -0.08 0.08 0.02 0.00 0.00 176.95 176.64 2bnq s VAL 159 N 1.55 2.97 -1.46 4.03 1.01 -0.06 -0.30 120.40 128.12 2bnq s VAL 159 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2bnq s VAL 159 Cb -0.13 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.91 2bnq s VAL 159 CO -0.05 0.37 0.86 0.59 0.00 0.00 0.00 175.10 176.87 2bnq n ASN 160 N 4.72 -5.28 0.00 3.32 3.02 -0.01 -2.00 115.26 119.04 2bnq n ASN 160 Ca -0.18 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2bnq n ASN 160 Cb 0.49 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 2bnq n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnq n GLY 161 N -1.63 1.03 3.24 7.41 0.00 -1.26 -5.04 105.19 108.93 2bnq n GLY 161 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2bnq n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnq s LYS 162 N -0.29 2.16 0.46 1.61 1.02 -0.84 -5.07 119.74 118.78 2bnq s LYS 162 Ca 0.00 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 54.93 2bnq s LYS 162 Cb 0.00 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 2bnq s LYS 162 CO 0.00 0.39 1.29 -2.00 -0.92 0.00 0.00 175.35 174.11 2bnq s GLU 163 N -0.25 3.70 0.09 1.68 2.12 -1.26 -0.89 118.70 123.89 2bnq s GLU 163 Ca 0.01 2.10 0.05 0.00 0.36 0.00 0.00 54.97 57.49 2bnq s GLU 163 Cb -0.12 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2bnq s GLU 163 CO 0.02 -0.70 -0.14 0.14 -0.54 0.00 0.00 175.26 174.04 2bnq s VAL 164 N -1.33 1.19 0.00 3.70 -7.23 -0.68 -4.86 120.40 111.18 2bnq s VAL 164 Ca 0.62 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2bnq s VAL 164 Cb -0.37 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2bnq s VAL 164 CO 0.46 -0.29 0.00 1.41 -0.31 0.00 0.00 175.10 176.37 2bnq n HIS 165 N 1.03 0.00 -2.20 2.82 -0.00 -1.26 -4.43 115.22 111.19 2bnq n HIS 165 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.11 2bnq n HIS 165 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 2bnq n HIS 165 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2bnq s SER 166 N -1.78 6.87 0.00 0.41 0.15 -1.26 -2.53 113.70 115.56 2bnq s SER 166 Ca 0.00 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.09 2bnq s SER 166 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2bnq s SER 166 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2bnq n GLY 167 N 2.29 0.57 3.64 9.45 0.00 -1.26 -4.83 105.19 115.05 2bnq n GLY 167 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2bnq n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnq s VAL 168 N -2.32 4.05 -0.09 1.61 1.01 -1.05 -0.95 120.40 122.65 2bnq s VAL 168 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2bnq s VAL 168 Cb 0.00 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.72 2bnq s VAL 168 CO 0.00 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.81 2bnq s THR 170 N 2.28 3.30 0.27 0.00 2.01 -1.26 -0.83 115.64 121.41 2bnq s THR 170 Ca 0.03 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2bnq s THR 170 Cb -0.12 -2.32 -0.14 0.00 0.01 0.00 0.00 72.50 69.93 2bnq s THR 170 CO -0.06 0.58 1.21 0.47 -0.69 0.00 0.00 174.62 176.14 2bnq n ASP 171 N 2.24 2.07 -0.11 3.53 8.00 -0.77 -4.86 116.55 126.66 2bnq n ASP 171 Ca -0.17 1.17 0.01 0.00 0.71 0.00 0.00 54.79 56.51 2bnq n ASP 171 Cb 0.52 -1.37 0.30 0.00 -0.02 0.00 0.00 41.12 40.56 2bnq n ASP 171 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2bnq h PRO 172 N 2.95 0.77 -3.94 -0.24 0.13 -1.98 -3.44 132.00 126.25 2bnq h PRO 172 Ca -0.43 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 2bnq h PRO 172 Cb 1.31 -0.16 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 2bnq h PRO 172 CO 0.67 0.56 -0.65 1.14 -0.23 0.00 0.00 178.00 179.48 2bnq s GLN 173 N -5.54 0.40 0.92 0.86 -2.07 -1.26 -5.16 119.66 107.81 2bnq s GLN 173 Ca -0.10 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.65 2bnq s GLN 173 Cb 0.17 0.15 0.14 0.00 -1.09 0.00 0.00 33.01 32.38 2bnq s GLN 173 CO 0.77 -0.08 1.09 -2.14 -1.32 0.00 0.00 175.29 173.61 2bnq s PRO 174 N -1.89 1.04 0.21 9.60 0.02 -1.26 -4.96 135.00 137.76 2bnq s PRO 174 Ca -0.12 0.72 0.09 0.00 0.02 0.00 0.00 61.00 61.71 2bnq s PRO 174 Cb -0.06 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2bnq s PRO 174 CO -0.02 -2.37 -0.07 -0.48 -0.33 0.00 0.00 177.00 173.73 2bnq s LEU 175 N -6.27 3.02 -0.12 -5.54 0.05 -0.18 -4.93 118.68 104.70 2bnq s LEU 175 Ca 0.64 -0.62 -0.23 0.00 0.05 0.00 0.00 54.13 53.97 2bnq s LEU 175 Cb -0.18 -1.64 -0.03 0.00 -2.05 0.00 0.00 46.19 42.29 2bnq s LEU 175 CO 0.57 0.07 0.68 -0.54 -0.55 0.00 0.00 176.35 176.58 2bnq s LYS 176 N -3.12 4.35 0.47 1.48 1.02 -1.26 -1.61 119.74 121.07 2bnq s LYS 176 Ca 0.27 0.79 0.25 0.00 0.02 0.00 0.00 55.97 57.30 2bnq s LYS 176 Cb -0.08 -3.50 1.16 0.00 -0.52 0.00 0.00 37.83 34.89 2bnq s LYS 176 CO 0.17 -0.07 1.94 0.93 -0.92 0.00 0.00 175.35 177.40 2bnq h GLU 177 N 7.04 0.00 -2.54 1.68 5.08 -1.57 -3.29 114.58 120.99 2bnq h GLU 177 Ca -0.37 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.40 2bnq h GLU 177 Cb 1.17 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.03 2bnq h GLU 177 CO 0.77 0.19 -0.85 1.04 -1.00 0.00 0.00 179.01 179.16 2bnq n GLN 178 N -3.55 0.80 -0.48 2.33 6.02 -1.26 -5.01 117.38 116.23 2bnq n GLN 178 Ca -0.01 -3.62 0.39 0.00 -0.01 0.00 0.00 57.00 53.75 2bnq n GLN 178 Cb 0.34 -1.84 0.68 0.00 1.02 0.00 0.00 30.24 30.44 2bnq n GLN 178 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2bnq h PRO 179 N 5.37 0.06 0.00 -1.09 0.11 -1.95 -0.63 132.00 133.87 2bnq h PRO 179 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2bnq h PRO 179 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2bnq h PRO 179 CO 0.50 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 2bnq n ALA 180 N -2.58 2.06 -2.83 -0.75 0.00 -1.26 -4.82 120.51 110.33 2bnq n ALA 180 Ca 0.38 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 2bnq n ALA 180 Cb 1.52 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2bnq n ALA 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bnq s LEU 181 N -4.35 4.32 0.46 0.00 1.02 -0.25 -4.98 118.68 114.91 2bnq s LEU 181 Ca 0.09 0.39 0.25 0.00 0.02 0.00 0.00 54.13 54.88 2bnq s LEU 181 Cb 0.12 -2.07 1.04 0.00 0.02 0.00 0.00 46.19 45.30 2bnq s LEU 181 CO 0.51 0.34 1.88 0.78 0.02 0.00 0.00 176.35 179.88 2bnq h ASN 182 N 5.50 0.00 -0.41 2.29 4.21 -1.87 -3.03 115.58 122.27 2bnq h ASN 182 Ca -0.51 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 56.78 2bnq h ASN 182 Cb 1.21 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.27 2bnq h ASN 182 CO 0.63 0.19 -0.07 -0.90 -1.29 0.00 0.00 177.43 175.99 2bnq n ASP 183 N -3.39 2.71 -4.75 5.81 5.68 -1.26 -5.05 116.55 116.29 2bnq n ASP 183 Ca -0.00 -3.79 -0.38 0.00 -0.50 0.00 0.00 54.79 50.11 2bnq n ASP 183 Cb 0.39 -0.64 0.03 0.00 -1.14 0.00 0.00 41.12 39.76 2bnq n ASP 183 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2bnq s SER 184 N -2.54 5.49 0.85 -1.12 0.15 -1.15 -5.01 113.70 110.37 2bnq s SER 184 Ca 0.46 2.69 -0.12 0.00 0.70 0.00 0.00 55.95 59.68 2bnq s SER 184 Cb 0.41 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 62.19 2bnq s SER 184 CO -0.00 -1.41 1.10 -0.13 1.20 0.00 0.00 173.24 174.00 2bnq s ARG 185 N -2.82 1.65 0.34 5.44 0.52 -1.26 -4.85 118.95 117.96 2bnq s ARG 185 Ca 0.69 0.62 0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2bnq s ARG 185 Cb -0.38 -1.87 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2bnq s ARG 185 CO 0.46 -1.91 -0.06 0.71 0.02 0.00 0.00 175.30 174.52 2bnq s TYR 186 N -3.11 2.46 0.01 -0.53 2.02 0.17 -1.43 117.35 116.93 2bnq s TYR 186 Ca 0.62 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2bnq s TYR 186 Cb -0.15 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 2bnq s TYR 186 CO 0.55 0.55 -0.01 0.00 -1.57 0.00 0.00 175.55 175.07 2bnq s ALA 187 N -2.56 0.04 0.01 3.71 0.00 -0.64 -0.89 121.76 121.43 2bnq s ALA 187 Ca 0.33 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2bnq s ALA 187 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2bnq s ALA 187 CO 0.18 -0.08 -0.03 -1.17 0.00 0.00 0.00 175.76 174.66 2bnq s LEU 188 N -0.67 2.07 0.16 0.00 2.96 0.91 -1.01 118.68 123.10 2bnq s LEU 188 Ca -0.07 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2bnq s LEU 188 Cb -0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 2bnq s LEU 188 CO -0.00 -0.05 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.85 2bnq s SER 189 N -0.45 2.73 0.02 3.68 1.04 -1.26 -0.87 113.70 118.60 2bnq s SER 189 Ca -0.03 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.46 2bnq s SER 189 Cb -0.03 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2bnq s SER 189 CO -0.00 -0.02 0.19 -0.55 0.98 0.00 0.00 173.24 173.84 2bnq s SER 190 N -2.61 0.01 0.02 7.02 0.15 -0.43 -1.84 113.70 116.01 2bnq s SER 190 Ca 0.15 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.59 2bnq s SER 190 Cb -0.06 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2bnq s SER 190 CO 0.07 -0.49 -0.18 -0.13 1.20 0.00 0.00 173.24 173.71 2bnq s ARG 191 N -2.07 1.28 -0.15 5.44 3.00 -0.01 -0.66 118.95 125.78 2bnq s ARG 191 Ca -0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 55.73 54.87 2bnq s ARG 191 Cb -0.03 -1.31 0.04 0.00 0.00 0.00 0.00 34.95 33.64 2bnq s ARG 191 CO -0.01 0.34 -0.06 -1.17 0.00 0.00 0.00 175.30 174.40 2bnq s LEU 192 N -0.86 1.48 -0.14 2.53 2.96 -0.20 -1.62 118.68 122.83 2bnq s LEU 192 Ca 0.06 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2bnq s LEU 192 Cb -0.08 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 2bnq s LEU 192 CO 0.01 -0.16 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.22 2bnq s ARG 193 N 1.65 3.50 0.34 1.98 3.52 -0.13 -0.09 118.95 129.74 2bnq s ARG 193 Ca 0.02 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 2bnq s ARG 193 Cb -0.14 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2bnq s ARG 193 CO -0.08 0.29 0.10 0.14 -0.81 0.00 0.00 175.30 174.95 2bnq s VAL 194 N 0.21 0.75 0.64 7.11 -7.23 0.22 -4.64 120.40 117.46 2bnq s VAL 194 Ca -0.04 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 2bnq s VAL 194 Cb -0.14 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2bnq s VAL 194 CO 0.03 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.98 2bnq s SER 195 N -3.49 5.31 0.31 4.85 1.04 -1.26 0.24 113.70 120.70 2bnq s SER 195 Ca 0.32 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 58.68 2bnq s SER 195 Cb 0.06 -2.54 0.49 0.00 0.10 0.00 0.00 66.02 64.12 2bnq s SER 195 CO 0.15 -1.49 1.97 0.00 0.98 0.00 0.00 173.24 174.85 2bnq h ALA 196 N 0.14 1.45 -0.78 5.32 0.00 -1.23 -2.20 119.26 121.96 2bnq h ALA 196 Ca -0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2bnq h ALA 196 Cb 1.24 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2bnq h ALA 196 CO 0.55 0.50 0.34 1.79 0.00 0.00 0.00 179.25 182.43 2bnq h THR 197 N 1.06 1.25 -0.43 0.00 1.35 -1.91 -1.37 112.91 112.86 2bnq h THR 197 Ca 0.30 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 65.31 2bnq h THR 197 Cb -0.08 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2bnq h THR 197 CO -0.07 0.32 -0.08 0.15 -0.25 0.00 0.00 175.52 175.58 2bnq h PHE 198 N 1.13 0.90 -0.35 4.73 3.57 -1.78 -3.04 116.94 122.10 2bnq h PHE 198 Ca 0.26 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2bnq h PHE 198 Cb 0.17 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2bnq h PHE 198 CO 0.02 0.91 -0.16 2.35 -2.23 0.00 0.00 178.31 179.20 2bnq h TRP 199 N 0.63 0.69 0.00 0.41 2.91 -1.17 -3.02 115.95 116.41 2bnq h TRP 199 Ca 0.11 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2bnq h TRP 199 Cb 0.60 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 2bnq h TRP 199 CO 0.05 0.75 0.00 1.04 -1.03 0.00 0.00 178.44 179.25 2bnq n GLN 200 N -4.16 0.41 -3.05 2.65 6.02 -0.54 -1.49 117.38 117.22 2bnq n GLN 200 Ca 0.01 0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 2bnq n GLN 200 Cb 0.37 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 2bnq n GLN 200 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bnq s ASP 201 N -2.39 6.36 0.00 1.08 -1.08 -1.14 -3.22 116.67 116.27 2bnq s ASP 201 Ca 0.23 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2bnq s ASP 201 Cb 0.14 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.25 2bnq s ASP 201 CO 0.29 -0.84 0.78 -2.65 0.52 0.00 0.00 175.17 173.27 2bnq n PRO 202 N 6.45 0.00 0.05 4.34 -0.02 -1.26 -1.48 135.00 143.09 2bnq n PRO 202 Ca -0.00 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2bnq n PRO 202 Cb 0.48 -1.52 0.14 0.00 -0.02 0.00 0.00 33.50 32.58 2bnq n PRO 202 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bnq n ARG 203 N -1.28 0.29 -2.95 -0.52 1.74 -1.26 -4.54 116.66 108.14 2bnq n ARG 203 Ca 0.00 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 2bnq n ARG 203 Cb 0.02 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 2bnq n ARG 203 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2bnq s ASN 204 N -4.16 7.09 -0.12 0.55 0.02 -0.55 -4.96 114.94 112.81 2bnq s ASN 204 Ca 0.06 1.31 -0.00 0.00 -1.02 0.00 0.00 52.86 53.21 2bnq s ASN 204 Cb 0.14 -2.45 -0.02 0.00 0.02 0.00 0.00 41.25 38.93 2bnq s ASN 204 CO 0.74 -0.16 -0.10 -2.28 0.02 0.00 0.00 177.10 175.32 2bnq s HIS 205 N 0.87 2.87 -0.08 2.20 5.65 -1.26 -0.74 115.29 124.80 2bnq s HIS 205 Ca 0.41 -0.42 0.04 0.00 0.25 0.00 0.00 55.06 55.35 2bnq s HIS 205 Cb -0.19 -1.83 -0.00 0.00 -1.18 0.00 0.00 32.58 29.38 2bnq s HIS 205 CO 0.21 -0.06 -0.23 -0.06 -0.65 0.00 0.00 174.74 173.95 2bnq s PHE 206 N 0.09 2.39 -0.03 3.88 0.08 0.60 -0.83 117.98 124.15 2bnq s PHE 206 Ca -0.04 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.13 2bnq s PHE 206 Cb -0.14 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2bnq s PHE 206 CO 0.04 -0.34 -0.02 0.50 -0.10 0.00 0.00 175.22 175.30 2bnq s ARG 207 N 0.22 0.46 -0.26 0.44 3.52 0.58 -0.87 118.95 123.05 2bnq s ARG 207 Ca -0.14 -0.02 -0.10 0.00 -0.13 0.00 0.00 55.73 55.34 2bnq s ARG 207 Cb -0.16 -0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 32.63 2bnq s ARG 207 CO 0.07 -0.07 0.15 0.00 -0.81 0.00 0.00 175.30 174.63 2bnq s GLN 209 N 1.43 3.14 -0.22 0.00 0.74 0.57 -1.88 119.66 123.44 2bnq s GLN 209 Ca 0.07 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.81 2bnq s GLN 209 Cb -0.15 -2.57 0.05 0.00 1.10 0.00 0.00 33.01 31.44 2bnq s GLN 209 CO 0.07 0.34 -0.09 0.08 -0.55 0.00 0.00 175.29 175.14 2bnq s VAL 210 N 0.02 1.73 -0.18 1.34 1.01 0.12 -0.74 120.40 123.70 2bnq s VAL 210 Ca -0.04 -1.20 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 2bnq s VAL 210 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2bnq s VAL 210 CO 0.04 0.06 0.77 -1.58 0.00 0.00 0.00 175.10 174.39 2bnq s GLN 211 N 1.33 4.26 -0.06 2.72 2.00 0.37 -1.21 119.66 129.07 2bnq s GLN 211 Ca -0.04 0.89 0.02 0.00 -2.00 0.00 0.00 55.36 54.23 2bnq s GLN 211 Cb -0.18 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.03 2bnq s GLN 211 CO -0.07 -0.31 -0.09 0.12 -0.50 0.00 0.00 175.29 174.44 2bnq s PHE 212 N 2.12 2.87 -0.27 1.67 5.36 0.11 -1.11 117.98 128.73 2bnq s PHE 212 Ca 0.35 -0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 2bnq s PHE 212 Cb -0.16 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.85 2bnq s PHE 212 CO 0.11 0.28 -0.02 0.71 -1.46 0.00 0.00 175.22 174.85 2bnq s TYR 213 N -0.77 3.12 0.00 10.12 2.02 -0.55 -1.38 117.35 129.91 2bnq s TYR 213 Ca 0.12 -1.48 0.00 0.00 -0.37 0.00 0.00 57.07 55.34 2bnq s TYR 213 Cb -0.11 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 2bnq s TYR 213 CO 0.01 -0.71 0.00 0.41 -1.57 0.00 0.00 175.55 173.69 2bnq n GLY 214 N 4.71 3.89 3.81 0.71 0.00 -1.26 -4.73 105.19 112.31 2bnq n GLY 214 Ca -0.15 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2bnq n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnq s LEU 215 N 0.00 2.48 0.44 0.99 1.43 -0.72 -4.52 118.68 118.78 2bnq s LEU 215 Ca 0.00 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2bnq s LEU 215 Cb 0.00 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2bnq s LEU 215 CO 0.00 -2.07 0.05 -0.94 0.23 0.00 0.00 176.35 173.63 2bnq s SER 216 N -3.97 3.44 0.25 2.29 1.04 -1.26 -2.68 113.70 112.81 2bnq s SER 216 Ca 0.61 -1.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 2bnq s SER 216 Cb -0.14 0.34 0.45 0.00 0.10 0.00 0.00 66.02 66.76 2bnq s SER 216 CO 0.54 -0.81 1.76 -0.33 0.98 0.00 0.00 173.24 175.38 2bnq h GLU 217 N 1.64 0.56 0.00 4.02 5.08 -2.03 -2.12 114.58 121.72 2bnq h GLU 217 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2bnq h GLU 217 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2bnq h GLU 217 CO 0.68 0.37 0.00 0.09 -1.00 0.00 0.00 179.01 179.16 2bnq n ASN 218 N -4.90 0.00 -4.81 1.42 3.02 -1.26 -4.77 115.26 103.95 2bnq n ASN 218 Ca 0.14 -0.71 -0.38 0.00 -0.03 0.00 0.00 54.58 53.61 2bnq n ASN 218 Cb 0.37 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.48 2bnq n ASN 218 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2bnq s ASP 219 N -1.88 7.04 0.30 6.41 1.01 -0.80 -5.06 116.67 123.70 2bnq s ASP 219 Ca 0.22 1.27 -0.28 0.00 0.71 0.00 0.00 52.55 54.47 2bnq s ASP 219 Cb 0.10 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 2bnq s ASP 219 CO 0.17 0.22 0.98 -1.61 0.21 0.00 0.00 175.17 175.14 2bnq s GLU 220 N -1.34 4.62 0.00 8.23 0.41 -1.26 -4.95 118.70 124.42 2bnq s GLU 220 Ca 0.32 1.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 2bnq s GLU 220 Cb -0.19 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2bnq s GLU 220 CO 0.20 0.29 0.00 1.87 -0.49 0.00 0.00 175.26 177.12 2bnq n TRP 221 N 0.87 0.00 -3.35 1.61 -0.00 -1.26 -4.97 117.44 110.34 2bnq n TRP 221 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.28 2bnq n TRP 221 Cb 0.48 0.23 0.01 0.00 -0.00 0.00 0.00 31.31 32.03 2bnq n TRP 221 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2bnq n THR 222 N -2.02 -2.59 0.00 5.87 -2.24 -1.26 -4.92 114.28 107.11 2bnq n THR 222 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2bnq n THR 222 Cb 0.00 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 65.90 2bnq n THR 222 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2bnq n GLN 223 N -1.60 0.00 0.00 -0.78 -0.06 -1.26 -5.08 117.38 108.60 2bnq n GLN 223 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 2bnq n GLN 223 Cb 0.54 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.72 2bnq n GLN 223 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2bnq n ASP 224 N 0.00 0.00 -4.79 1.69 5.75 -1.26 -5.11 116.55 112.83 2bnq n ASP 224 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 2bnq n ASP 224 Cb 0.00 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 2bnq n ASP 224 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2bnq s ARG 225 N -1.09 3.71 0.32 0.11 3.52 -1.26 -4.96 118.95 119.29 2bnq s ARG 225 Ca 0.00 1.46 -0.29 0.00 -0.13 0.00 0.00 55.73 56.76 2bnq s ARG 225 Cb 0.00 -2.12 -0.11 0.00 -1.56 0.00 0.00 34.95 31.16 2bnq s ARG 225 CO 0.00 -0.53 1.52 0.00 -0.81 0.00 0.00 175.30 175.48 2bnq s ALA 226 N -1.88 3.66 -0.08 6.12 0.00 -1.26 -4.87 121.76 123.44 2bnq s ALA 226 Ca 0.68 1.52 -0.35 0.00 0.00 0.00 0.00 51.96 53.80 2bnq s ALA 226 Cb -0.19 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.19 2bnq s ALA 226 CO 0.23 -0.95 1.80 1.17 0.00 0.00 0.00 175.76 178.01 2bnq n LYS 227 N 1.56 1.96 -1.20 0.00 4.81 -1.26 -4.83 118.16 119.21 2bnq n LYS 227 Ca 0.05 0.72 -0.37 0.00 -0.87 0.00 0.00 58.31 57.84 2bnq n LYS 227 Cb 0.39 -2.52 -0.03 0.00 0.02 0.00 0.00 35.03 32.89 2bnq n LYS 227 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2bnq n PRO 228 N 5.88 2.34 -1.90 1.64 -0.04 -1.26 -4.94 135.00 136.72 2bnq n PRO 228 Ca 0.22 -1.98 -0.29 0.00 -0.04 0.00 0.00 63.50 61.41 2bnq n PRO 228 Cb 0.26 -2.86 0.07 0.00 -0.04 0.00 0.00 33.50 30.93 2bnq n PRO 228 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bnq s VAL 229 N 3.68 2.59 0.22 0.52 -7.23 -1.26 -1.76 120.40 117.16 2bnq s VAL 229 Ca 0.52 0.19 -0.32 0.00 -1.81 0.00 0.00 61.98 60.56 2bnq s VAL 229 Cb 0.14 -3.19 -0.13 0.00 0.56 0.00 0.00 36.38 33.76 2bnq s VAL 229 CO -0.00 -0.25 1.63 0.41 -0.31 0.00 0.00 175.10 176.58 2bnq n THR 230 N -3.19 0.29 -3.79 5.32 -1.04 -1.09 -4.43 114.28 106.35 2bnq n THR 230 Ca 0.08 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2bnq n THR 230 Cb 0.59 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 67.28 2bnq n THR 230 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bnq s GLN 231 N 0.62 1.26 -0.10 -2.82 -2.07 -0.48 -4.90 119.66 111.18 2bnq s GLN 231 Ca 0.73 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 53.55 2bnq s GLN 231 Cb -0.56 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 2bnq s GLN 231 CO 0.38 -0.58 -0.15 0.42 -1.32 0.00 0.00 175.29 174.04 2bnq s ILE 232 N -2.91 2.94 -0.09 3.63 1.01 -1.26 0.06 121.20 124.58 2bnq s ILE 232 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.12 2bnq s ILE 232 Cb -0.02 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 2bnq s ILE 232 CO 0.03 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 174.61 2bnq s VAL 233 N 0.01 1.92 0.21 2.92 1.01 -0.35 -4.96 120.40 121.16 2bnq s VAL 233 Ca -0.05 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2bnq s VAL 233 Cb -0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2bnq s VAL 233 CO 0.04 0.53 -0.07 -0.44 0.00 0.00 0.00 175.10 175.16 2bnq s SER 234 N 0.30 2.17 -0.01 3.32 0.01 -1.26 -0.70 113.70 117.53 2bnq s SER 234 Ca -0.16 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 2bnq s SER 234 Cb -0.17 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 2bnq s SER 234 CO 0.07 -0.36 0.06 0.00 0.41 0.00 0.00 173.24 173.43 2bnq s ALA 235 N -3.22 -0.14 0.22 1.44 0.00 -0.79 -4.81 121.76 114.46 2bnq s ALA 235 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2bnq s ALA 235 Cb 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2bnq s ALA 235 CO 0.07 -0.13 0.08 -1.83 0.00 0.00 0.00 175.76 173.95 2bnq s GLU 236 N -0.85 1.27 -0.04 0.00 -1.05 -1.26 -1.05 118.70 115.72 2bnq s GLU 236 Ca -0.09 -1.67 -0.26 0.00 -0.15 0.00 0.00 54.97 52.80 2bnq s GLU 236 Cb -0.06 -0.13 0.06 0.00 -0.44 0.00 0.00 34.13 33.56 2bnq s GLU 236 CO 0.00 -0.28 0.57 0.00 0.95 0.00 0.00 175.26 176.51 2bnq s ALA 237 N -3.83 -1.48 0.14 -0.84 0.00 -0.05 -4.80 121.76 110.89 2bnq s ALA 237 Ca 0.34 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.41 2bnq s ALA 237 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2bnq s ALA 237 CO 0.10 -0.34 -0.10 -1.58 0.00 0.00 0.00 175.76 173.85 2bnq s TRP 238 N -1.24 2.70 0.96 0.00 0.52 -1.26 -0.29 118.94 120.32 2bnq s TRP 238 Ca -0.12 -0.18 -0.11 0.00 0.02 0.00 0.00 56.10 55.71 2bnq s TRP 238 Cb -0.02 -1.37 0.17 0.00 -1.15 0.00 0.00 33.47 31.10 2bnq s TRP 238 CO 0.08 0.46 1.09 0.20 0.02 0.00 0.00 176.95 178.80 2bnq s GLY 239 N -2.47 1.62 -0.12 0.98 0.00 0.08 -4.98 107.32 102.43 2bnq s GLY 239 Ca 0.23 0.13 -0.23 0.00 0.00 0.00 0.00 44.72 44.85 2bnq s GLY 239 CO 0.14 0.64 0.56 1.09 0.00 0.00 0.00 173.10 175.53 2bnq s ARG 240 N -4.74 0.80 0.42 2.90 1.70 -0.56 -3.99 118.95 115.49 2bnq s ARG 240 Ca 0.65 0.43 0.22 0.00 -0.47 0.00 0.00 55.73 56.57 2bnq s ARG 240 Cb -0.21 0.38 0.43 0.00 -0.57 0.00 0.00 34.95 34.98 2bnq s ARG 240 CO 0.59 -0.18 1.63 0.00 -1.08 0.00 0.00 175.30 176.26 2bnq h ALA 241 N 4.22 0.93 0.00 7.88 0.00 -1.85 -3.36 119.26 127.08 2bnq h ALA 241 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bnq h ALA 241 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bnq h ALA 241 CO 0.27 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.43