#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnu s VAL 3 N 0.00 3.26 -0.17 1.61 1.01 -1.26 -2.95 120.40 121.90 2bnu s VAL 3 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2bnu s VAL 3 Cb 0.00 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2bnu s VAL 3 CO 0.00 0.45 -0.17 0.42 0.00 0.00 0.00 175.10 175.80 2bnu s THR 4 N 1.18 1.89 0.06 3.92 -4.23 0.80 -4.45 115.64 114.80 2bnu s THR 4 Ca 0.02 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 2bnu s THR 4 Cb -0.14 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 2bnu s THR 4 CO -0.02 0.48 -0.21 0.00 -0.54 0.00 0.00 174.62 174.33 2bnu s GLN 5 N 1.35 1.90 -0.00 3.99 -2.07 -1.26 -1.00 119.66 122.58 2bnu s GLN 5 Ca 0.04 -1.07 -0.06 0.00 -1.82 0.00 0.00 55.36 52.45 2bnu s GLN 5 Cb -0.13 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 2bnu s GLN 5 CO -0.12 0.52 0.12 0.95 -1.32 0.00 0.00 175.29 175.44 2bnu s THR 6 N -0.92 0.08 0.62 3.63 -4.23 -0.66 -4.46 115.64 109.69 2bnu s THR 6 Ca 0.14 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.91 2bnu s THR 6 Cb -0.10 -0.39 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 2bnu s THR 6 CO 0.05 -0.36 0.98 -2.16 -0.54 0.00 0.00 174.62 172.59 2bnu s PRO 7 N -1.26 3.16 0.24 3.99 0.04 -1.26 -0.48 135.00 139.44 2bnu s PRO 7 Ca -0.13 0.37 0.10 0.00 0.04 0.00 0.00 61.00 61.38 2bnu s PRO 7 Cb -0.07 -2.15 0.22 0.00 0.04 0.00 0.00 34.50 32.54 2bnu s PRO 7 CO 0.01 -0.71 1.53 0.87 0.04 0.00 0.00 177.00 178.74 2bnu h LYS 8 N -0.32 0.00 -3.86 4.56 6.56 -1.82 -3.41 116.57 118.28 2bnu h LYS 8 Ca -0.45 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.96 2bnu h LYS 8 Cb 1.23 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.66 2bnu h LYS 8 CO 0.62 0.70 -0.68 -0.06 -2.06 0.00 0.00 179.45 177.97 2bnu s PHE 9 N -3.36 0.16 -0.26 -1.35 0.08 -1.26 -0.69 117.98 111.31 2bnu s PHE 9 Ca -0.00 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.46 2bnu s PHE 9 Cb 0.12 -0.12 0.08 0.00 -0.57 0.00 0.00 43.02 42.52 2bnu s PHE 9 CO 0.77 -0.15 0.78 -1.14 -0.10 0.00 0.00 175.22 175.38 2bnu s GLN 10 N -1.04 0.79 -0.09 0.44 2.00 -0.36 -4.93 119.66 116.47 2bnu s GLN 10 Ca -0.11 0.88 0.04 0.00 -2.00 0.00 0.00 55.36 54.17 2bnu s GLN 10 Cb -0.07 0.38 -0.00 0.00 0.80 0.00 0.00 33.01 34.12 2bnu s GLN 10 CO -0.01 -0.10 -0.24 0.08 -0.50 0.00 0.00 175.29 174.52 2bnu s VAL 11 N 0.26 2.02 0.06 1.34 1.01 -1.26 -1.35 120.40 122.48 2bnu s VAL 11 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2bnu s VAL 11 Cb -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2bnu s VAL 11 CO 0.00 0.55 -0.13 -0.76 0.00 0.00 0.00 175.10 174.76 2bnu s LEU 12 N 0.25 2.24 0.14 3.92 1.43 -0.13 -4.92 118.68 121.61 2bnu s LEU 12 Ca -0.16 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2bnu s LEU 12 Cb -0.17 -0.50 -0.07 0.00 0.03 0.00 0.00 46.19 45.49 2bnu s LEU 12 CO 0.08 -0.06 0.51 -0.75 0.23 0.00 0.00 176.35 176.36 2bnu s LYS 13 N -1.53 3.91 0.20 1.70 2.20 -1.26 -0.80 119.74 124.16 2bnu s LYS 13 Ca -0.02 0.39 -0.32 0.00 -0.36 0.00 0.00 55.97 55.66 2bnu s LYS 13 Cb -0.09 -2.92 -0.15 0.00 -1.51 0.00 0.00 37.83 33.15 2bnu s LYS 13 CO 0.02 0.48 1.12 2.41 -0.36 0.00 0.00 175.35 179.02 2bnu n THR 14 N 0.74 1.15 0.00 3.43 -1.04 0.37 -1.64 114.28 117.29 2bnu n THR 14 Ca -0.05 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2bnu n THR 14 Cb 0.52 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 2bnu n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnu n GLY 15 N 1.85 3.26 3.77 3.41 0.00 0.11 -4.93 105.19 112.66 2bnu n GLY 15 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2bnu n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bnu s GLN 16 N -0.58 3.04 0.26 1.61 -0.21 -0.65 -4.22 119.66 118.91 2bnu s GLN 16 Ca 0.00 1.55 0.01 0.00 0.02 0.00 0.00 55.36 56.94 2bnu s GLN 16 Cb 0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 2bnu s GLN 16 CO 0.00 -1.09 0.44 -1.54 -2.12 0.00 0.00 175.29 170.98 2bnu s SER 17 N -2.08 6.34 -0.10 5.90 1.04 -1.25 -0.16 113.70 123.38 2bnu s SER 17 Ca 0.71 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 2bnu s SER 17 Cb -0.23 -1.98 0.10 0.00 0.10 0.00 0.00 66.02 64.00 2bnu s SER 17 CO 0.34 -0.13 0.83 -0.32 0.98 0.00 0.00 173.24 174.94 2bnu s MET 18 N -3.81 0.83 -0.11 4.02 0.00 -0.25 -4.96 119.30 115.02 2bnu s MET 18 Ca 0.38 0.20 0.01 0.00 0.00 0.00 0.00 55.69 56.29 2bnu s MET 18 Cb -0.10 0.39 0.02 0.00 0.00 0.00 0.00 34.83 35.14 2bnu s MET 18 CO 0.31 -0.26 -0.14 0.99 0.00 0.00 0.00 175.02 175.92 2bnu s THR 19 N -1.15 1.40 -0.25 10.11 2.01 -1.26 -0.20 115.64 126.30 2bnu s THR 19 Ca -0.06 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 2bnu s THR 19 Cb -0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2bnu s THR 19 CO 0.06 0.42 0.37 -0.76 -0.69 0.00 0.00 174.62 174.02 2bnu s LEU 20 N 1.06 4.07 0.09 4.42 1.43 0.86 -4.70 118.68 125.91 2bnu s LEU 20 Ca -0.05 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 2bnu s LEU 20 Cb -0.15 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 2bnu s LEU 20 CO -0.02 -0.14 0.44 -1.10 0.23 0.00 0.00 176.35 175.75 2bnu s GLN 21 N 1.83 3.83 -0.06 1.70 -1.52 0.37 -1.17 119.66 124.64 2bnu s GLN 21 Ca 0.16 0.27 -0.02 0.00 -1.95 0.00 0.00 55.36 53.82 2bnu s GLN 21 Cb -0.15 -3.00 0.04 0.00 -0.22 0.00 0.00 33.01 29.67 2bnu s GLN 21 CO 0.09 0.55 0.10 0.00 -0.25 0.00 0.00 175.29 175.78 2bnu s ALA 23 N 1.98 0.79 -0.01 0.00 0.00 -0.17 -2.22 121.76 122.14 2bnu s ALA 23 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2bnu s ALA 23 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2bnu s ALA 23 CO -0.04 0.15 -0.06 1.14 0.00 0.00 0.00 175.76 176.95 2bnu s GLN 24 N 0.02 0.50 -0.45 0.00 1.03 -0.92 -0.14 119.66 119.70 2bnu s GLN 24 Ca -0.00 -0.20 0.04 0.00 0.04 0.00 0.00 55.36 55.24 2bnu s GLN 24 Cb -0.06 -0.49 0.49 0.00 0.03 0.00 0.00 33.01 32.98 2bnu s GLN 24 CO 0.00 0.11 1.64 -0.40 -2.54 0.00 0.00 175.29 174.10 2bnu n ASP 25 N 3.02 5.30 -0.52 12.60 5.68 -1.15 -4.52 116.55 136.97 2bnu n ASP 25 Ca -0.14 -3.76 0.05 0.00 -0.50 0.00 0.00 54.79 50.43 2bnu n ASP 25 Cb 0.57 -0.69 0.12 0.00 -1.14 0.00 0.00 41.12 39.98 2bnu n ASP 25 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2bnu n MET 26 N -0.92 2.46 -1.95 0.11 2.81 -1.26 -4.73 117.12 113.63 2bnu n MET 26 Ca 0.50 -1.82 -0.18 0.00 -1.81 0.00 0.00 57.70 54.39 2bnu n MET 26 Cb 0.94 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 32.18 2bnu n MET 26 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2bnu n ASN 27 N 0.40 -5.30 -4.71 7.83 3.02 -1.26 -4.93 115.26 110.30 2bnu n ASN 27 Ca 0.09 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 2bnu n ASN 27 Cb 0.37 -4.39 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2bnu n ASN 27 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bnu s HIS 28 N -2.81 3.18 0.11 3.10 3.76 -1.26 -4.93 115.29 116.45 2bnu s HIS 28 Ca 0.00 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 55.85 2bnu s HIS 28 Cb 0.00 -3.68 -0.19 0.00 1.11 0.00 0.00 32.58 29.82 2bnu s HIS 28 CO 0.00 -2.41 1.24 0.93 -0.85 0.00 0.00 174.74 173.66 2bnu h GLU 29 N 6.96 0.16 -5.54 1.40 3.07 -1.88 -3.45 114.58 115.31 2bnu h GLU 29 Ca -0.42 -0.25 -0.60 0.00 -0.50 0.00 0.00 59.36 57.60 2bnu h GLU 29 Cb 1.21 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 29.11 2bnu h GLU 29 CO 0.87 1.08 -0.33 -0.47 -1.40 0.00 0.00 179.01 178.76 2bnu s TYR 30 N -2.81 3.49 0.02 4.33 6.14 -0.68 -3.36 117.35 124.49 2bnu s TYR 30 Ca -0.02 0.61 0.01 0.00 0.64 0.00 0.00 57.07 58.31 2bnu s TYR 30 Cb 0.09 -2.30 -0.02 0.00 0.42 0.00 0.00 41.96 40.15 2bnu s TYR 30 CO 0.85 0.31 -0.04 -1.64 0.64 0.00 0.00 175.55 175.67 2bnu s MET 31 N 0.23 0.33 0.12 4.97 -1.94 -0.59 -1.39 119.30 121.03 2bnu s MET 31 Ca 0.17 -0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 53.44 2bnu s MET 31 Cb -0.13 -0.03 0.03 0.00 2.01 0.00 0.00 34.83 36.71 2bnu s MET 31 CO 0.04 -0.01 0.37 -1.54 -0.01 0.00 0.00 175.02 173.87 2bnu s SER 32 N -1.25 -0.17 -0.02 3.03 1.04 0.15 -0.11 113.70 116.38 2bnu s SER 32 Ca -0.12 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 55.99 2bnu s SER 32 Cb -0.08 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2bnu s SER 32 CO -0.00 -0.84 -0.22 0.26 0.98 0.00 0.00 173.24 173.42 2bnu s TRP 33 N -3.82 1.95 0.11 5.02 0.52 -0.31 -1.24 118.94 121.17 2bnu s TRP 33 Ca 0.04 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.82 2bnu s TRP 33 Cb 0.02 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 2bnu s TRP 33 CO -0.11 -0.04 -0.11 0.71 0.02 0.00 0.00 176.95 177.42 2bnu s TYR 34 N -0.48 1.15 -0.00 -1.98 1.51 0.86 -0.58 117.35 117.83 2bnu s TYR 34 Ca 0.08 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2bnu s TYR 34 Cb -0.09 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 2bnu s TYR 34 CO -0.01 0.04 -0.22 -0.98 -1.11 0.00 0.00 175.55 173.27 2bnu s ARG 35 N -3.04 1.72 -0.16 -0.62 1.70 -0.40 -0.80 118.95 117.35 2bnu s ARG 35 Ca 0.09 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.53 2bnu s ARG 35 Cb -0.02 -1.71 0.02 0.00 -0.57 0.00 0.00 34.95 32.67 2bnu s ARG 35 CO 0.00 0.46 -0.21 -1.14 -1.08 0.00 0.00 175.30 173.34 2bnu s GLN 36 N -0.68 2.96 0.07 3.89 0.74 0.42 -1.15 119.66 125.91 2bnu s GLN 36 Ca 0.09 -0.83 0.07 0.00 0.05 0.00 0.00 55.36 54.74 2bnu s GLN 36 Cb -0.09 -2.48 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 2bnu s GLN 36 CO -0.00 -0.13 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.91 2bnu s ASP 37 N 1.09 2.25 -0.33 6.67 1.11 -1.23 -2.99 116.67 123.25 2bnu s ASP 37 Ca -0.00 -0.58 -0.45 0.00 0.18 0.00 0.00 52.55 51.70 2bnu s ASP 37 Cb -0.14 -0.14 -0.20 0.00 1.07 0.00 0.00 42.92 43.51 2bnu s ASP 37 CO -0.08 0.07 1.43 -2.65 1.18 0.00 0.00 175.17 175.12 2bnu n PRO 38 N 1.51 0.02 -0.38 8.23 -0.02 -1.26 0.35 135.00 143.45 2bnu n PRO 38 Ca -0.19 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2bnu n PRO 38 Cb 0.54 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2bnu n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bnu n GLY 39 N 3.19 0.00 0.07 -1.23 0.00 -1.26 -4.68 105.19 101.28 2bnu n GLY 39 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2bnu n GLY 39 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2bnu h MET 40 N 0.00 0.00 0.00 1.61 -1.53 -0.52 -3.50 114.93 110.99 2bnu h MET 40 Ca 0.00 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 2bnu h MET 40 Cb 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 2bnu h MET 40 CO 0.00 0.00 -0.13 0.41 0.14 0.00 0.00 176.91 177.33 2bnu n GLY 41 N 1.30 -1.85 3.65 1.39 0.00 -1.10 -4.73 105.19 103.85 2bnu n GLY 41 Ca 0.02 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2bnu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnu s LEU 42 N 0.00 4.11 -0.16 0.99 1.43 -1.26 -3.47 118.68 120.31 2bnu s LEU 42 Ca 0.00 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2bnu s LEU 42 Cb 0.00 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2bnu s LEU 42 CO 0.00 -0.43 -0.11 -0.13 0.23 0.00 0.00 176.35 175.91 2bnu s ARG 43 N 2.49 3.34 0.10 1.70 0.52 -0.30 -4.94 118.95 121.85 2bnu s ARG 43 Ca 0.33 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.55 2bnu s ARG 43 Cb -0.16 -2.75 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 2bnu s ARG 43 CO 0.09 0.03 1.39 -1.17 0.02 0.00 0.00 175.30 175.66 2bnu s LEU 44 N 0.82 4.36 -0.26 2.53 2.96 -1.26 -1.27 118.68 126.56 2bnu s LEU 44 Ca -0.04 2.29 -0.15 0.00 -0.22 0.00 0.00 54.13 56.01 2bnu s LEU 44 Cb -0.15 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 2bnu s LEU 44 CO 0.01 -0.65 -0.32 -0.38 -1.32 0.00 0.00 176.35 173.68 2bnu n ILE 45 N 4.04 1.52 -3.71 6.68 5.41 0.25 -0.60 119.36 132.95 2bnu n ILE 45 Ca 0.12 -0.28 -0.11 0.00 1.00 0.00 0.00 62.75 63.48 2bnu n ILE 45 Cb 0.43 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 37.33 2bnu n ILE 45 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2bnu s HIS 46 N -2.56 -0.13 0.09 1.39 3.76 -1.22 0.00 115.29 116.62 2bnu s HIS 46 Ca -0.37 -0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 2bnu s HIS 46 Cb 0.13 0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.97 2bnu s HIS 46 CO 0.48 -0.58 0.23 1.52 -0.85 0.00 0.00 174.74 175.54 2bnu s TYR 47 N -3.11 0.08 -0.12 1.40 1.13 -0.74 -1.16 117.35 114.83 2bnu s TYR 47 Ca -0.01 -0.47 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 2bnu s TYR 47 Cb 0.01 -0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.91 2bnu s TYR 47 CO -0.07 -0.56 0.05 0.45 -2.51 0.00 0.00 175.55 172.91 2bnu s SER 48 N -2.79 1.97 0.03 -0.18 0.15 0.85 -1.64 113.70 112.09 2bnu s SER 48 Ca 0.04 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.59 2bnu s SER 48 Cb 0.04 -0.33 1.05 0.00 -1.71 0.00 0.00 66.02 65.07 2bnu s SER 48 CO -0.11 -0.28 1.80 1.33 1.20 0.00 0.00 173.24 177.18 2bnu n VAL 49 N 5.21 0.31 -3.64 4.45 0.24 -1.26 -1.55 118.33 122.09 2bnu n VAL 49 Ca -0.06 0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.26 2bnu n VAL 49 Cb 0.49 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 32.20 2bnu n VAL 49 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2bnu s GLY 50 N -3.07 -0.21 0.11 7.63 0.00 -1.21 -4.33 107.32 106.23 2bnu s GLY 50 Ca 0.12 1.88 -0.34 0.00 0.00 0.00 0.00 44.72 46.38 2bnu s GLY 50 CO 0.47 0.62 1.68 0.00 0.00 0.00 0.00 173.10 175.86 2bnu n ALA 51 N -0.03 1.42 0.00 3.20 0.00 -1.26 -0.54 120.51 123.29 2bnu n ALA 51 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2bnu n ALA 51 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2bnu n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnu n GLY 52 N 3.74 1.26 3.45 0.00 0.00 0.65 -5.00 105.19 109.29 2bnu n GLY 52 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2bnu n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bnu s ILE 53 N -2.36 3.03 -0.12 -0.61 1.09 0.29 -4.95 121.20 117.58 2bnu s ILE 53 Ca 0.00 -0.72 -0.14 0.00 -1.10 0.00 0.00 60.65 58.68 2bnu s ILE 53 Cb 0.00 -2.20 0.04 0.00 -1.06 0.00 0.00 42.46 39.24 2bnu s ILE 53 CO 0.00 0.58 0.38 -0.89 -0.10 0.00 0.00 174.94 174.91 2bnu s THR 54 N -0.54 0.01 -0.01 2.92 2.01 -1.26 -4.30 115.64 114.47 2bnu s THR 54 Ca 0.07 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2bnu s THR 54 Cb -0.12 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.82 2bnu s THR 54 CO 0.01 -0.05 0.11 -1.81 -0.69 0.00 0.00 174.62 172.19 2bnu s ASP 55 N -0.14 0.01 0.66 3.53 1.11 -0.65 -5.03 116.67 116.16 2bnu s ASP 55 Ca -0.03 -0.12 -0.12 0.00 0.18 0.00 0.00 52.55 52.46 2bnu s ASP 55 Cb -0.03 0.21 -0.01 0.00 1.07 0.00 0.00 42.92 44.16 2bnu s ASP 55 CO 0.02 -0.27 1.05 0.00 1.18 0.00 0.00 175.17 177.15 2bnu s GLN 56 N -0.99 3.10 0.00 8.23 -2.07 -1.26 -1.79 119.66 124.87 2bnu s GLN 56 Ca -0.11 0.99 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 2bnu s GLN 56 Cb -0.06 -2.01 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 2bnu s GLN 56 CO 0.01 -0.97 0.00 0.41 -1.32 0.00 0.00 175.29 173.41 2bnu n GLY 57 N -1.83 2.92 0.10 2.60 0.00 0.10 -4.75 105.19 104.33 2bnu n GLY 57 Ca 0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2bnu n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bnu h GLU 58 N 0.00 0.21 -2.18 1.61 4.81 -1.03 -3.39 114.58 114.62 2bnu h GLU 58 Ca 0.00 -0.33 -0.59 0.00 -0.13 0.00 0.00 59.36 58.31 2bnu h GLU 58 Cb 0.00 0.12 -0.42 0.00 0.63 0.00 0.00 28.75 29.08 2bnu h GLU 58 CO 0.00 1.12 -0.66 1.33 -0.73 0.00 0.00 179.01 180.08 2bnu n VAL 59 N -4.31 2.97 0.27 0.32 0.24 -1.05 -4.84 118.33 111.93 2bnu n VAL 59 Ca -0.12 -5.49 0.16 0.00 -2.04 0.00 0.00 64.34 56.85 2bnu n VAL 59 Cb 0.68 -1.38 0.62 0.00 -1.47 0.00 0.00 33.84 32.29 2bnu n VAL 59 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2bnu h PRO 60 N 2.92 0.00 -6.19 7.34 0.13 -1.76 -3.44 132.00 131.01 2bnu h PRO 60 Ca 0.15 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.58 2bnu h PRO 60 Cb 0.56 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.71 2bnu h PRO 60 CO 0.82 0.02 0.91 -1.71 -0.23 0.00 0.00 178.00 177.81 2bnu n ASN 61 N -3.12 2.57 0.00 1.44 5.15 -1.26 -1.09 115.26 118.96 2bnu n ASN 61 Ca 0.01 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2bnu n ASN 61 Cb 0.34 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 2bnu n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bnu n GLY 62 N 4.11 0.76 3.23 8.20 0.00 -1.26 -5.05 105.19 115.18 2bnu n GLY 62 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2bnu n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bnu s TYR 63 N -2.77 1.55 -0.03 1.61 2.02 -0.25 -4.56 117.35 114.93 2bnu s TYR 63 Ca 0.00 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2bnu s TYR 63 Cb 0.00 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2bnu s TYR 63 CO 0.00 0.12 -0.09 -0.80 -1.57 0.00 0.00 175.55 173.21 2bnu s ASN 64 N -1.60 1.27 0.13 2.29 -0.87 -0.40 -4.97 114.94 110.80 2bnu s ASN 64 Ca 0.04 -0.20 0.05 0.00 -1.57 0.00 0.00 52.86 51.18 2bnu s ASN 64 Cb -0.09 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.25 40.68 2bnu s ASN 64 CO 0.03 0.05 -0.11 0.68 -2.57 0.00 0.00 177.10 175.17 2bnu s VAL 65 N 0.36 1.18 0.05 1.60 -7.23 -1.26 0.36 120.40 115.46 2bnu s VAL 65 Ca -0.06 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2bnu s VAL 65 Cb -0.11 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2bnu s VAL 65 CO 0.01 -0.63 0.08 -0.94 -0.31 0.00 0.00 175.10 173.31 2bnu s SER 66 N -2.87 0.23 -0.41 4.85 1.04 -1.23 -5.04 113.70 110.27 2bnu s SER 66 Ca 0.13 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.99 2bnu s SER 66 Cb -0.00 0.24 0.24 0.00 0.10 0.00 0.00 66.02 66.59 2bnu s SER 66 CO 0.01 -0.56 0.55 -1.14 0.98 0.00 0.00 173.24 173.09 2bnu n ARG 67 N 0.52 0.65 0.11 4.02 3.00 -1.26 -3.88 116.66 119.83 2bnu n ARG 67 Ca -0.17 -2.98 -0.01 0.00 -0.00 0.00 0.00 57.85 54.68 2bnu n ARG 67 Cb 0.60 -1.31 0.01 0.00 0.00 0.00 0.00 32.46 31.76 2bnu n ARG 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2bnu h SER 68 N 4.21 0.00 -2.62 6.15 4.64 -1.95 1.91 113.55 125.90 2bnu h SER 68 Ca 0.06 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 2bnu h SER 68 Cb 0.91 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.86 2bnu h SER 68 CO 0.42 0.69 -0.67 -0.89 -0.87 0.00 0.00 176.83 175.51 2bnu s THR 69 N -2.97 1.80 0.08 2.95 2.01 -1.26 -4.60 115.64 113.65 2bnu s THR 69 Ca 0.02 -2.14 -0.11 0.00 0.31 0.00 0.00 61.69 59.77 2bnu s THR 69 Cb 0.09 -2.55 -0.25 0.00 0.01 0.00 0.00 72.50 69.80 2bnu s THR 69 CO 0.77 -0.24 1.17 0.74 -0.69 0.00 0.00 174.62 176.37 2bnu h THR 70 N 2.18 1.33 0.00 -0.82 2.02 -1.94 -3.34 112.91 112.34 2bnu h THR 70 Ca -0.41 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.28 2bnu h THR 70 Cb 1.24 2.58 -0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2bnu h THR 70 CO 0.69 0.75 -0.13 -0.33 0.37 0.00 0.00 175.52 176.86 2bnu h GLU 71 N 0.28 0.00 -6.73 6.66 3.07 -1.88 -3.46 114.58 112.52 2bnu h GLU 71 Ca -0.15 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.02 2bnu h GLU 71 Cb 1.80 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 29.45 2bnu h GLU 71 CO 0.21 0.13 -0.88 -0.51 -1.40 0.00 0.00 179.01 176.57 2bnu s ASP 72 N -6.08 3.15 -0.44 1.42 1.01 -1.25 -2.17 116.67 112.32 2bnu s ASP 72 Ca 0.03 -0.61 0.05 0.00 0.71 0.00 0.00 52.55 52.73 2bnu s ASP 72 Cb 0.08 -0.28 0.18 0.00 1.01 0.00 0.00 42.92 43.91 2bnu s ASP 72 CO 0.63 0.25 0.44 0.33 0.21 0.00 0.00 175.17 177.02 2bnu n PHE 73 N 1.68 -1.68 -2.20 4.23 7.35 -0.94 -4.53 117.46 121.36 2bnu n PHE 73 Ca -0.17 -2.81 -0.41 0.00 -0.76 0.00 0.00 57.45 53.30 2bnu n PHE 73 Cb 0.52 0.58 -0.03 0.00 0.35 0.00 0.00 39.48 40.90 2bnu n PHE 73 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2bnu s PRO 74 N 0.26 4.39 -0.29 -7.13 0.02 -1.25 -4.18 135.00 126.82 2bnu s PRO 74 Ca 0.32 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.38 2bnu s PRO 74 Cb 0.03 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.41 2bnu s PRO 74 CO -0.16 -0.21 0.03 -1.17 -0.33 0.00 0.00 177.00 175.16 2bnu s LEU 75 N -0.63 3.71 -0.08 -5.54 2.96 -0.32 -3.51 118.68 115.27 2bnu s LEU 75 Ca 0.54 -0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2bnu s LEU 75 Cb -0.37 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2bnu s LEU 75 CO 0.42 -0.19 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.62 2bnu s ARG 76 N 1.42 2.86 -0.40 1.98 3.52 0.16 -0.10 118.95 128.38 2bnu s ARG 76 Ca 0.01 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.12 2bnu s ARG 76 Cb -0.17 -2.69 0.11 0.00 -1.56 0.00 0.00 34.95 30.64 2bnu s ARG 76 CO 0.00 0.68 0.16 -0.51 -0.81 0.00 0.00 175.30 174.83 2bnu s LEU 77 N -0.85 5.06 0.23 -0.88 1.02 0.72 -1.27 118.68 122.71 2bnu s LEU 77 Ca 0.13 -2.14 -0.06 0.00 0.02 0.00 0.00 54.13 52.07 2bnu s LEU 77 Cb -0.11 -1.75 0.22 0.00 0.02 0.00 0.00 46.19 44.57 2bnu s LEU 77 CO 0.02 -0.47 1.82 -0.07 0.02 0.00 0.00 176.35 177.67 2bnu h LEU 78 N 7.80 1.07 -6.49 1.79 3.38 -1.81 -0.64 115.31 120.42 2bnu h LEU 78 Ca -0.09 -0.14 -0.50 0.00 0.09 0.00 0.00 57.88 57.25 2bnu h LEU 78 Cb 1.03 -0.28 -0.36 0.00 0.09 0.00 0.00 40.66 41.14 2bnu h LEU 78 CO 0.64 0.92 -0.78 -0.55 0.09 0.00 0.00 178.44 178.75 2bnu s SER 79 N -6.34 2.23 0.16 -0.43 0.15 -1.26 -3.87 113.70 104.34 2bnu s SER 79 Ca -0.12 -1.95 -0.34 0.00 0.70 0.00 0.00 55.95 54.24 2bnu s SER 79 Cb 0.16 -0.01 -0.15 0.00 -1.71 0.00 0.00 66.02 64.32 2bnu s SER 79 CO 0.83 -0.29 1.39 0.00 1.20 0.00 0.00 173.24 176.38 2bnu n ALA 80 N 4.11 0.20 -2.40 5.45 0.00 0.77 -4.58 120.51 124.06 2bnu n ALA 80 Ca 0.12 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.73 2bnu n ALA 80 Cb 0.40 -2.19 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 2bnu n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnu s ALA 81 N 0.38 2.40 0.38 0.00 0.00 -1.26 0.04 121.76 123.71 2bnu s ALA 81 Ca 0.77 -1.41 0.16 0.00 0.00 0.00 0.00 51.96 51.48 2bnu s ALA 81 Cb -0.79 -0.45 1.03 0.00 0.00 0.00 0.00 23.12 22.91 2bnu s ALA 81 CO 0.46 0.55 1.78 -1.35 0.00 0.00 0.00 175.76 177.20 2bnu h PRO 82 N 4.06 0.45 0.00 0.00 0.11 -1.94 0.21 132.00 134.89 2bnu h PRO 82 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2bnu h PRO 82 Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bnu h PRO 82 CO 0.41 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 2bnu n SER 83 N -4.65 0.48 -0.46 -2.05 3.41 -1.26 -1.44 113.62 107.65 2bnu n SER 83 Ca 0.24 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.62 2bnu n SER 83 Cb 0.79 -0.76 0.35 0.00 -0.26 0.00 0.00 64.21 64.33 2bnu n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bnu n GLN 84 N -2.10 1.59 -2.10 4.33 6.02 0.74 -4.82 117.38 121.05 2bnu n GLN 84 Ca 0.00 -0.90 -0.42 0.00 -0.01 0.00 0.00 57.00 55.67 2bnu n GLN 84 Cb 0.09 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2bnu n GLN 84 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2bnu s THR 85 N -1.79 3.72 0.04 5.09 2.01 -0.52 -4.85 115.64 119.35 2bnu s THR 85 Ca 0.28 0.87 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 2bnu s THR 85 Cb 0.15 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 69.15 2bnu s THR 85 CO 0.22 -0.10 1.00 -0.24 -0.69 0.00 0.00 174.62 174.80 2bnu n SER 86 N 7.23 -1.14 -4.44 3.53 2.88 -0.67 -5.00 113.62 116.01 2bnu n SER 86 Ca 0.17 -1.38 -0.35 0.00 -1.33 0.00 0.00 58.87 55.97 2bnu n SER 86 Cb 0.43 1.80 -0.13 0.00 -0.75 0.00 0.00 64.21 65.57 2bnu n SER 86 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bnu s VAL 87 N -2.07 4.00 -0.15 2.46 1.01 -1.16 -1.47 120.40 123.02 2bnu s VAL 87 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2bnu s VAL 87 Cb -0.01 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2bnu s VAL 87 CO 0.01 0.41 0.05 -0.31 0.00 0.00 0.00 175.10 175.27 2bnu s TYR 88 N 1.15 3.28 -0.05 5.22 1.51 0.39 -0.43 117.35 128.41 2bnu s TYR 88 Ca 0.03 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 2bnu s TYR 88 Cb -0.14 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.73 2bnu s TYR 88 CO 0.02 0.32 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.53 2bnu s PHE 89 N -0.19 1.94 -0.09 2.71 0.08 0.02 -0.59 117.98 121.86 2bnu s PHE 89 Ca 0.07 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.53 2bnu s PHE 89 Cb -0.12 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2bnu s PHE 89 CO 0.01 -0.19 -0.02 0.00 -0.10 0.00 0.00 175.22 174.92 2bnu s ALA 91 N -0.68 0.06 0.23 0.00 0.00 -0.38 -0.13 121.76 120.86 2bnu s ALA 91 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2bnu s ALA 91 Cb -0.12 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2bnu s ALA 91 CO 0.02 -0.03 0.04 -1.54 0.00 0.00 0.00 175.76 174.25 2bnu s SER 92 N -0.35 1.39 0.02 0.00 1.04 -0.02 -0.67 113.70 115.12 2bnu s SER 92 Ca -0.03 -1.27 -0.28 0.00 0.48 0.00 0.00 55.95 54.84 2bnu s SER 92 Cb -0.02 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.29 2bnu s SER 92 CO -0.00 -0.62 0.87 -0.94 0.98 0.00 0.00 173.24 173.53 2bnu s SER 93 N -3.27 -0.37 0.49 7.02 1.04 -0.49 -0.51 113.70 117.62 2bnu s SER 93 Ca 0.31 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.49 2bnu s SER 93 Cb 0.07 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 2bnu s SER 93 CO 0.09 -0.68 1.13 -0.31 0.98 0.00 0.00 173.24 174.46 2bnu s TYR 94 N -3.19 2.85 0.02 5.02 1.51 -1.26 -1.68 117.35 120.62 2bnu s TYR 94 Ca 0.05 1.55 -0.04 0.00 -1.01 0.00 0.00 57.07 57.63 2bnu s TYR 94 Cb -0.01 -3.29 -0.01 0.00 -0.11 0.00 0.00 41.96 38.54 2bnu s TYR 94 CO -0.08 -1.38 1.04 1.55 -1.11 0.00 0.00 175.55 175.57 2bnu n VAL 95 N -0.78 -0.09 0.00 0.71 3.14 -1.26 -4.57 118.33 115.48 2bnu n VAL 95 Ca 0.09 1.58 0.00 0.00 -2.96 0.00 0.00 64.34 63.05 2bnu n VAL 95 Cb 0.50 -2.08 0.00 0.00 -1.06 0.00 0.00 33.84 31.20 2bnu n VAL 95 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bnu n GLY 96 N -1.03 -0.08 7.00 7.55 0.00 -1.26 -4.90 105.19 112.46 2bnu n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bnu n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bnu n ASN 97 N 0.00 0.00 0.11 1.61 2.85 -1.26 -2.44 115.26 116.13 2bnu n ASN 97 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 2bnu n ASN 97 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2bnu n ASN 97 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2bnu h THR 98 N 0.00 0.11 0.00 -0.44 1.35 -1.95 -3.48 112.91 108.50 2bnu h THR 98 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2bnu h THR 98 Cb 0.00 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2bnu h THR 98 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2bnu n GLY 99 N 1.21 0.76 3.69 5.82 0.00 -1.02 -5.01 105.19 110.63 2bnu n GLY 99 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2bnu n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bnu n GLU 100 N -2.17 2.78 -3.47 1.61 2.13 -1.26 -4.98 120.64 115.28 2bnu n GLU 100 Ca 0.00 1.01 -0.36 0.00 0.66 0.00 0.00 57.16 58.47 2bnu n GLU 100 Cb 0.00 -2.91 -0.06 0.00 0.27 0.00 0.00 31.44 28.74 2bnu n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bnu s LEU 101 N 2.92 4.40 -0.18 4.31 1.43 -1.26 -4.44 118.68 125.86 2bnu s LEU 101 Ca 0.83 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2bnu s LEU 101 Cb -0.48 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 42.84 2bnu s LEU 101 CO 0.38 0.21 -0.17 -0.36 0.23 0.00 0.00 176.35 176.65 2bnu s PHE 102 N -1.29 2.62 0.11 0.29 0.08 0.34 -4.94 117.98 115.19 2bnu s PHE 102 Ca 0.31 -1.59 -0.03 0.00 0.12 0.00 0.00 56.93 55.74 2bnu s PHE 102 Cb -0.16 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2bnu s PHE 102 CO 0.17 -0.77 0.31 -0.06 -0.10 0.00 0.00 175.22 174.76 2bnu s PHE 103 N 1.34 3.49 0.92 0.36 0.40 -1.26 -0.84 117.98 122.39 2bnu s PHE 103 Ca 0.03 0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 56.66 2bnu s PHE 103 Cb -0.14 -1.91 0.18 0.00 0.51 0.00 0.00 43.02 41.67 2bnu s PHE 103 CO -0.11 0.50 1.26 0.20 0.70 0.00 0.00 175.22 177.77 2bnu s GLY 104 N -2.45 1.77 0.01 4.36 0.00 0.81 -4.68 107.32 107.15 2bnu s GLY 104 Ca 0.38 -1.28 0.28 0.00 0.00 0.00 0.00 44.72 44.10 2bnu s GLY 104 CO 0.26 -0.56 1.89 -2.21 0.00 0.00 0.00 173.10 172.48 2bnu n GLU 105 N -3.60 0.01 0.00 2.90 2.13 -1.26 -4.78 120.64 116.05 2bnu n GLU 105 Ca 0.15 0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2bnu n GLU 105 Cb 0.60 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.79 2bnu n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bnu n GLY 106 N 1.39 1.62 2.88 8.31 0.00 -1.26 -5.02 105.19 113.11 2bnu n GLY 106 Ca 0.07 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 2bnu n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bnu s SER 107 N -0.40 2.44 -0.38 1.61 0.01 0.24 -4.62 113.70 112.60 2bnu s SER 107 Ca 0.00 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.60 2bnu s SER 107 Cb 0.00 -0.83 0.01 0.00 0.21 0.00 0.00 66.02 65.41 2bnu s SER 107 CO 0.00 -0.16 0.58 -0.13 0.41 0.00 0.00 173.24 173.94 2bnu s ARG 108 N 1.71 3.51 -0.10 12.44 3.00 0.14 -0.46 118.95 139.18 2bnu s ARG 108 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 55.73 55.59 2bnu s ARG 108 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 34.95 30.94 2bnu s ARG 108 CO -0.08 -0.79 -0.16 -1.17 0.00 0.00 0.00 175.30 173.10 2bnu s LEU 109 N 2.60 2.58 -0.13 2.53 2.96 -0.54 -1.22 118.68 127.45 2bnu s LEU 109 Ca 0.21 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2bnu s LEU 109 Cb -0.15 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.01 2bnu s LEU 109 CO 0.15 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.35 2bnu s THR 110 N 0.01 1.68 -0.20 3.68 2.01 -0.45 -1.66 115.64 120.70 2bnu s THR 110 Ca -0.05 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 2bnu s THR 110 Cb -0.15 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 2bnu s THR 110 CO 0.04 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 2bnu s VAL 111 N 1.14 3.57 0.08 3.82 1.01 -1.26 -0.96 120.40 127.81 2bnu s VAL 111 Ca -0.02 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2bnu s VAL 111 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2bnu s VAL 111 CO -0.06 0.44 -0.22 -0.76 0.00 0.00 0.00 175.10 174.50 2bnu s LEU 112 N 1.12 2.25 0.22 3.92 1.43 0.02 -4.39 118.68 123.25 2bnu s LEU 112 Ca 0.02 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2bnu s LEU 112 Cb -0.15 -0.99 0.19 0.00 0.03 0.00 0.00 46.19 45.28 2bnu s LEU 112 CO -0.00 0.12 1.55 -0.33 0.23 0.00 0.00 176.35 177.92 2bnu h GLU 113 N 4.35 0.46 -3.79 1.70 4.39 -1.95 0.11 114.58 119.86 2bnu h GLU 113 Ca -0.46 -0.28 -0.42 0.00 0.34 0.00 0.00 59.36 58.54 2bnu h GLU 113 Cb 1.17 0.03 -0.37 0.00 -0.10 0.00 0.00 28.75 29.48 2bnu h GLU 113 CO 0.41 0.87 -0.77 0.34 -1.16 0.00 0.00 179.01 178.71 2bnu s ASP 114 N -6.90 1.33 0.00 1.42 -1.08 -1.26 -4.58 116.67 105.60 2bnu s ASP 114 Ca -0.06 -0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 2bnu s ASP 114 Cb 0.12 -0.43 0.66 0.00 -1.46 0.00 0.00 42.92 41.81 2bnu s ASP 114 CO 0.82 -0.15 1.45 0.18 0.52 0.00 0.00 175.17 177.99 2bnu n LEU 115 N 4.78 0.00 0.00 -1.34 4.77 -1.26 -2.68 117.00 121.27 2bnu n LEU 115 Ca -0.13 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 2bnu n LEU 115 Cb 0.50 -0.43 0.25 0.00 -2.33 0.00 0.00 43.42 41.41 2bnu n LEU 115 CO 0.15 -0.22 0.66 0.29 -1.33 0.00 0.00 177.39 176.94 2bnu n LYS 116 N -1.43 0.05 -0.01 3.23 4.76 -1.26 -1.33 118.16 122.17 2bnu n LYS 116 Ca 0.05 0.27 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 2bnu n LYS 116 Cb 0.15 -1.50 0.56 0.00 -1.84 0.00 0.00 35.03 32.40 2bnu n LYS 116 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bnu n ASN 117 N -1.43 1.30 -4.66 4.39 3.02 -1.09 -4.81 115.26 111.97 2bnu n ASN 117 Ca 0.03 -1.47 -0.39 0.00 -0.03 0.00 0.00 54.58 52.72 2bnu n ASN 117 Cb 0.11 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 2bnu n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bnu s VAL 118 N -1.97 5.07 -0.01 2.41 1.01 -0.44 -4.71 120.40 121.76 2bnu s VAL 118 Ca 0.38 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.43 2bnu s VAL 118 Cb 0.20 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2bnu s VAL 118 CO 0.33 0.15 -0.07 -0.36 0.00 0.00 0.00 175.10 175.15 2bnu s PHE 119 N 1.72 0.68 0.65 5.22 0.40 -0.23 -4.79 117.98 121.64 2bnu s PHE 119 Ca 0.26 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.35 2bnu s PHE 119 Cb -0.16 -0.47 -0.00 0.00 0.51 0.00 0.00 43.02 42.90 2bnu s PHE 119 CO 0.10 -0.04 1.03 -1.25 0.70 0.00 0.00 175.22 175.76 2bnu s PRO 120 N 0.02 3.09 0.48 0.24 0.04 -1.26 -0.99 135.00 136.62 2bnu s PRO 120 Ca 0.00 0.45 -0.19 0.00 0.04 0.00 0.00 61.00 61.31 2bnu s PRO 120 Cb -0.05 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2bnu s PRO 120 CO -0.00 -0.82 0.97 -1.25 0.04 0.00 0.00 177.00 175.94 2bnu s PRO 121 N -5.23 4.06 -0.12 0.56 0.04 -1.26 -4.19 135.00 128.86 2bnu s PRO 121 Ca 0.56 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 2bnu s PRO 121 Cb -0.11 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2bnu s PRO 121 CO 0.51 -0.18 0.10 -1.21 0.04 0.00 0.00 177.00 176.26 2bnu s GLU 122 N -3.65 3.41 -0.05 4.56 2.02 -0.20 -4.89 118.70 119.90 2bnu s GLU 122 Ca 0.61 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.41 2bnu s GLU 122 Cb -0.10 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 31.03 2bnu s GLU 122 CO 0.23 0.69 -0.16 0.08 0.02 0.00 0.00 175.26 176.12 2bnu s VAL 123 N -0.80 1.37 0.01 2.63 1.01 -1.26 -0.81 120.40 122.54 2bnu s VAL 123 Ca 0.13 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2bnu s VAL 123 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2bnu s VAL 123 CO 0.03 0.40 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 2bnu s ALA 124 N 0.14 0.04 -0.13 5.51 0.00 -0.54 -4.63 121.76 122.14 2bnu s ALA 124 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2bnu s ALA 124 Cb -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2bnu s ALA 124 CO 0.02 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.68 2bnu s VAL 125 N -0.81 3.40 -0.16 0.00 1.01 -1.26 -0.66 120.40 121.92 2bnu s VAL 125 Ca -0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2bnu s VAL 125 Cb -0.06 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2bnu s VAL 125 CO -0.00 0.53 -0.02 -0.36 0.00 0.00 0.00 175.10 175.24 2bnu s PHE 126 N 0.15 3.06 0.53 5.22 0.40 0.73 -4.98 117.98 123.08 2bnu s PHE 126 Ca -0.05 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.86 2bnu s PHE 126 Cb -0.14 -1.99 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 2bnu s PHE 126 CO 0.04 -0.02 1.00 -1.21 0.70 0.00 0.00 175.22 175.73 2bnu s GLU 127 N 0.42 3.80 0.37 0.44 2.02 -1.26 -2.01 118.70 122.48 2bnu s GLU 127 Ca -0.03 1.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.75 2bnu s GLU 127 Cb -0.14 -2.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.86 2bnu s GLU 127 CO 0.02 -0.40 1.10 -2.30 0.02 0.00 0.00 175.26 173.71 2bnu n PRO 128 N -1.59 1.59 -2.42 0.39 -0.02 -1.25 -4.90 135.00 126.80 2bnu n PRO 128 Ca 0.07 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2bnu n PRO 128 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2bnu n PRO 128 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bnu s SER 129 N -0.58 7.13 0.40 2.55 0.15 -1.26 -4.93 113.70 117.16 2bnu s SER 129 Ca 0.60 2.15 0.12 0.00 0.70 0.00 0.00 55.95 59.51 2bnu s SER 129 Cb -0.59 -2.60 0.83 0.00 -1.71 0.00 0.00 66.02 61.95 2bnu s SER 129 CO 0.59 -0.36 1.91 -0.33 1.20 0.00 0.00 173.24 176.25 2bnu h GLU 130 N 5.59 0.11 -0.57 5.44 5.08 -1.98 -2.29 114.58 125.96 2bnu h GLU 130 Ca -0.44 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 2bnu h GLU 130 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2bnu h GLU 130 CO 0.76 0.32 -0.02 0.00 -1.00 0.00 0.00 179.01 179.07 2bnu h ALA 131 N 1.69 0.90 -0.47 3.43 0.00 -1.99 -1.22 119.26 121.60 2bnu h ALA 131 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2bnu h ALA 131 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2bnu h ALA 131 CO 0.03 0.65 0.10 1.49 0.00 0.00 0.00 179.25 181.52 2bnu h GLU 132 N 0.91 0.76 -0.38 0.00 4.81 -1.75 -0.77 114.58 118.15 2bnu h GLU 132 Ca 0.16 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2bnu h GLU 132 Cb 0.55 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2bnu h GLU 132 CO 0.03 0.75 0.25 0.82 -0.73 0.00 0.00 179.01 180.13 2bnu h ILE 133 N 0.64 1.10 -0.35 2.32 2.04 -1.17 0.10 117.51 122.20 2bnu h ILE 133 Ca 0.15 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 2bnu h ILE 133 Cb 0.34 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2bnu h ILE 133 CO 0.00 0.10 -0.28 0.77 0.00 0.00 0.00 178.15 178.75 2bnu h SER 134 N 0.51 0.74 0.78 1.72 4.64 -1.10 -0.08 113.55 120.76 2bnu h SER 134 Ca 0.14 -0.28 -0.23 0.00 -0.47 0.00 0.00 61.79 60.95 2bnu h SER 134 Cb -0.05 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2bnu h SER 134 CO -0.03 0.98 -1.04 -0.74 -0.87 0.00 0.00 176.83 175.12 2bnu h HIS 135 N 0.62 0.22 0.00 4.77 -0.00 -0.87 -3.40 115.15 116.49 2bnu h HIS 135 Ca 0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 2bnu h HIS 135 Cb 0.79 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 2bnu h HIS 135 CO 0.04 1.08 -0.22 0.25 -0.00 0.00 0.00 177.93 179.08 2bnu n THR 136 N -3.49 0.00 -1.34 6.26 -2.24 0.34 -5.00 114.28 108.81 2bnu n THR 136 Ca -0.04 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2bnu n THR 136 Cb 0.93 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 2bnu n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bnu n GLN 137 N -0.94 -1.04 -4.39 -0.78 1.13 -0.04 -4.98 117.38 106.34 2bnu n GLN 137 Ca 0.00 0.89 -0.21 0.00 -1.94 0.00 0.00 57.00 55.74 2bnu n GLN 137 Cb 0.00 -4.97 -0.10 0.00 0.11 0.00 0.00 30.24 25.28 2bnu n GLN 137 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2bnu s LYS 138 N -2.89 1.45 -0.06 -1.09 1.02 -1.26 -1.08 119.74 115.83 2bnu s LYS 138 Ca 0.00 -1.65 -0.02 0.00 0.02 0.00 0.00 55.97 54.33 2bnu s LYS 138 Cb 0.00 -1.36 0.03 0.00 -0.52 0.00 0.00 37.83 35.98 2bnu s LYS 138 CO 0.00 0.24 0.04 0.00 -0.92 0.00 0.00 175.35 174.71 2bnu s ALA 139 N -2.76 0.44 -0.23 5.17 0.00 0.52 -3.33 121.76 121.57 2bnu s ALA 139 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 2bnu s ALA 139 Cb -0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2bnu s ALA 139 CO 0.10 -0.53 0.06 0.99 0.00 0.00 0.00 175.76 176.38 2bnu s THR 140 N 2.09 4.34 0.11 0.00 2.01 -1.26 -1.10 115.64 121.83 2bnu s THR 140 Ca 0.05 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 2bnu s THR 140 Cb -0.12 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 2bnu s THR 140 CO -0.04 0.37 0.38 -0.76 -0.69 0.00 0.00 174.62 173.87 2bnu s LEU 141 N 1.36 4.30 -0.06 4.42 1.02 0.57 -3.75 118.68 126.54 2bnu s LEU 141 Ca 0.05 0.66 0.04 0.00 0.02 0.00 0.00 54.13 54.90 2bnu s LEU 141 Cb -0.15 -3.14 0.00 0.00 0.02 0.00 0.00 46.19 42.92 2bnu s LEU 141 CO 0.03 0.11 -0.18 -0.69 0.02 0.00 0.00 176.35 175.64 2bnu s VAL 142 N -1.54 1.57 -0.14 -1.59 1.01 -0.85 -1.40 120.40 117.46 2bnu s VAL 142 Ca 0.37 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2bnu s VAL 142 Cb -0.13 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2bnu s VAL 142 CO 0.21 0.45 -0.03 0.00 0.00 0.00 0.00 175.10 175.74 2bnu s LEU 144 N 0.11 1.81 -0.20 0.00 1.43 0.17 -1.29 118.68 120.71 2bnu s LEU 144 Ca -0.00 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2bnu s LEU 144 Cb -0.13 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2bnu s LEU 144 CO 0.02 -0.01 -0.05 0.00 0.23 0.00 0.00 176.35 176.55 2bnu s ALA 145 N 1.24 2.84 0.15 4.21 0.00 0.25 -1.47 121.76 128.98 2bnu s ALA 145 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2bnu s ALA 145 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2bnu s ALA 145 CO -0.08 -0.20 -0.05 0.95 0.00 0.00 0.00 175.76 176.38 2bnu s THR 146 N 1.09 0.86 -1.33 0.00 -4.23 0.01 -0.23 115.64 111.82 2bnu s THR 146 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2bnu s THR 146 Cb -0.15 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2bnu s THR 146 CO -0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2bnu n GLY 147 N -0.18 1.29 3.92 3.99 0.00 -0.21 -1.04 105.19 112.96 2bnu n GLY 147 Ca -0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2bnu n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bnu s PHE 148 N -2.47 3.49 -0.28 1.61 -0.71 -1.03 -4.55 117.98 114.04 2bnu s PHE 148 Ca 0.00 0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 56.07 2bnu s PHE 148 Cb 0.00 -1.86 0.08 0.00 -1.21 0.00 0.00 43.02 40.03 2bnu s PHE 148 CO 0.00 0.45 0.72 -0.47 -1.34 0.00 0.00 175.22 174.58 2bnu s TYR 149 N -1.73 -0.95 0.85 3.49 6.14 -0.16 0.11 117.35 125.10 2bnu s TYR 149 Ca 0.38 2.00 -0.14 0.00 0.64 0.00 0.00 57.07 59.95 2bnu s TYR 149 Cb -0.12 0.51 0.20 0.00 0.42 0.00 0.00 41.96 42.98 2bnu s TYR 149 CO 0.27 -0.47 0.90 -0.35 0.64 0.00 0.00 175.55 176.55 2bnu n PRO 150 N 3.77 -1.92 -1.89 4.97 -0.04 -1.26 -1.06 135.00 137.57 2bnu n PRO 150 Ca -0.18 -1.42 -0.41 0.00 -0.04 0.00 0.00 63.50 61.45 2bnu n PRO 150 Cb 0.58 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2bnu n PRO 150 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bnu n ASP 151 N -4.08 6.22 -3.77 3.54 5.75 -1.26 -4.73 116.55 118.21 2bnu n ASP 151 Ca 0.12 -2.94 -0.28 0.00 -0.01 0.00 0.00 54.79 51.69 2bnu n ASP 151 Cb 0.44 -1.52 -0.11 0.00 -1.03 0.00 0.00 41.12 38.90 2bnu n ASP 151 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2bnu n HIS 152 N 3.89 3.02 -4.17 2.11 8.25 -1.26 -5.08 115.22 121.97 2bnu n HIS 152 Ca 0.56 -4.21 -0.11 0.00 -0.26 0.00 0.00 57.72 53.70 2bnu n HIS 152 Cb 0.32 -0.56 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 2bnu n HIS 152 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2bnu s VAL 153 N -1.56 0.65 -0.09 1.59 -7.23 -1.26 -1.07 120.40 111.43 2bnu s VAL 153 Ca 0.28 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2bnu s VAL 153 Cb 0.00 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 35.24 2bnu s VAL 153 CO -0.14 -0.82 0.09 -1.61 -0.31 0.00 0.00 175.10 172.31 2bnu s GLU 154 N -3.86 -0.01 -0.13 4.82 2.02 -0.11 -4.95 118.70 116.48 2bnu s GLU 154 Ca 0.14 0.24 -0.05 0.00 0.02 0.00 0.00 54.97 55.31 2bnu s GLU 154 Cb 0.06 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 2bnu s GLU 154 CO -0.04 -0.45 0.07 -1.17 0.02 0.00 0.00 175.26 173.69 2bnu s LEU 155 N 2.18 3.93 0.02 1.80 0.20 -1.26 -0.48 118.68 125.07 2bnu s LEU 155 Ca 0.04 0.24 -0.07 0.00 0.69 0.00 0.00 54.13 55.03 2bnu s LEU 155 Cb -0.13 -1.95 -0.00 0.00 -0.43 0.00 0.00 46.19 43.67 2bnu s LEU 155 CO -0.06 0.33 0.13 -0.94 -0.29 0.00 0.00 176.35 175.52 2bnu s SER 156 N -0.56 0.08 -0.05 3.68 1.04 -0.31 -5.01 113.70 112.57 2bnu s SER 156 Ca 0.11 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.20 2bnu s SER 156 Cb -0.12 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2bnu s SER 156 CO 0.02 -0.44 -0.04 0.26 0.98 0.00 0.00 173.24 174.01 2bnu s TRP 157 N -1.97 2.99 -0.07 5.02 0.52 -1.26 -1.15 118.94 123.03 2bnu s TRP 157 Ca -0.10 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.08 2bnu s TRP 157 Cb -0.05 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 2bnu s TRP 157 CO -0.01 0.39 -0.05 -1.58 0.02 0.00 0.00 176.95 175.71 2bnu s TRP 158 N -0.90 0.96 -0.21 -1.98 0.52 0.17 -1.33 118.94 116.16 2bnu s TRP 158 Ca 0.14 -0.34 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 2bnu s TRP 158 Cb -0.11 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 2bnu s TRP 158 CO 0.04 -0.30 -0.10 0.08 0.02 0.00 0.00 176.95 176.69 2bnu s VAL 159 N 1.29 2.79 -1.47 4.03 1.01 0.07 -0.51 120.40 127.61 2bnu s VAL 159 Ca -0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2bnu s VAL 159 Cb -0.14 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.03 2bnu s VAL 159 CO -0.02 0.40 0.79 0.59 0.00 0.00 0.00 175.10 176.86 2bnu n ASN 160 N 4.70 -4.65 0.00 3.32 3.02 -0.03 -1.31 115.26 120.30 2bnu n ASN 160 Ca -0.19 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2bnu n ASN 160 Cb 0.49 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 2bnu n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnu n GLY 161 N -1.52 1.46 3.60 7.41 0.00 -1.26 -5.03 105.19 109.86 2bnu n GLY 161 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2bnu n GLY 161 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bnu s LYS 162 N -0.25 3.92 0.19 1.61 2.47 -0.43 -5.04 119.74 122.21 2bnu s LYS 162 Ca 0.00 -0.37 -0.31 0.00 -1.56 0.00 0.00 55.97 53.73 2bnu s LYS 162 Cb 0.00 -3.21 -0.09 0.00 -1.46 0.00 0.00 37.83 33.07 2bnu s LYS 162 CO 0.00 0.22 1.43 -2.00 0.16 0.00 0.00 175.35 175.15 2bnu s GLU 163 N 0.52 4.29 0.10 4.03 2.12 -1.26 -0.75 118.70 127.75 2bnu s GLU 163 Ca 0.03 2.21 0.09 0.00 0.36 0.00 0.00 54.97 57.66 2bnu s GLU 163 Cb -0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2bnu s GLU 163 CO 0.01 -0.43 -0.20 0.14 -0.54 0.00 0.00 175.26 174.24 2bnu s VAL 164 N 0.50 2.67 0.00 3.70 -7.23 -0.44 -4.91 120.40 114.69 2bnu s VAL 164 Ca 0.62 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2bnu s VAL 164 Cb -0.40 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2bnu s VAL 164 CO 0.37 0.15 0.00 1.41 -0.31 0.00 0.00 175.10 176.72 2bnu n HIS 165 N 1.00 0.00 -2.12 2.82 8.25 -1.26 -4.56 115.22 119.36 2bnu n HIS 165 Ca -0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.88 2bnu n HIS 165 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 2bnu n HIS 165 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2bnu s SER 166 N -2.53 6.78 -0.91 0.41 0.15 -1.26 -2.77 113.70 113.56 2bnu s SER 166 Ca 0.00 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2bnu s SER 166 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2bnu s SER 166 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2bnu n GLY 167 N 2.55 0.88 3.28 9.45 0.00 -1.26 -4.80 105.19 115.28 2bnu n GLY 167 Ca 0.08 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 2bnu n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnu s VAL 168 N -2.35 1.76 -0.24 1.61 1.01 -1.12 0.03 120.40 121.10 2bnu s VAL 168 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 2bnu s VAL 168 Cb 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.90 2bnu s VAL 168 CO 0.00 0.14 0.62 0.00 0.00 0.00 0.00 175.10 175.86 2bnu s THR 170 N 0.95 2.95 0.18 0.00 2.01 -1.26 -0.96 115.64 119.50 2bnu s THR 170 Ca -0.05 -1.04 -0.33 0.00 0.31 0.00 0.00 61.69 60.58 2bnu s THR 170 Cb -0.05 -2.23 -0.15 0.00 0.01 0.00 0.00 72.50 70.08 2bnu s THR 170 CO -0.08 0.39 1.26 0.47 -0.69 0.00 0.00 174.62 175.97 2bnu n ASP 171 N 1.70 1.78 0.07 3.53 8.00 -0.62 -4.83 116.55 126.17 2bnu n ASP 171 Ca -0.16 1.14 0.05 0.00 0.71 0.00 0.00 54.79 56.52 2bnu n ASP 171 Cb 0.52 -1.27 0.47 0.00 -0.02 0.00 0.00 41.12 40.82 2bnu n ASP 171 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2bnu h PRO 172 N 3.82 0.39 -3.70 -0.24 0.13 -1.98 -3.43 132.00 127.00 2bnu h PRO 172 Ca -0.44 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2bnu h PRO 172 Cb 1.32 -0.09 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 2bnu h PRO 172 CO 0.73 0.28 -0.64 -0.65 -0.23 0.00 0.00 178.00 177.49 2bnu s GLN 173 N -5.33 0.22 0.83 0.86 -0.21 -1.26 -5.15 119.66 109.61 2bnu s GLN 173 Ca -0.07 -0.22 -0.11 0.00 0.02 0.00 0.00 55.36 54.97 2bnu s GLN 173 Cb 0.17 0.09 0.09 0.00 1.00 0.00 0.00 33.01 34.36 2bnu s GLN 173 CO 0.72 -0.04 1.09 -2.14 -2.12 0.00 0.00 175.29 172.80 2bnu s PRO 174 N -0.69 1.82 0.14 2.91 0.02 -1.26 -4.96 135.00 132.97 2bnu s PRO 174 Ca -0.08 0.86 0.07 0.00 0.02 0.00 0.00 61.00 61.88 2bnu s PRO 174 Cb -0.05 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2bnu s PRO 174 CO -0.00 -1.86 -0.06 -0.48 -0.33 0.00 0.00 177.00 174.27 2bnu s LEU 175 N -5.99 3.15 -0.08 -5.54 0.05 0.14 -4.91 118.68 105.49 2bnu s LEU 175 Ca 0.62 -0.41 -0.25 0.00 0.05 0.00 0.00 54.13 54.13 2bnu s LEU 175 Cb -0.17 -1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 42.08 2bnu s LEU 175 CO 0.56 0.13 0.80 -0.54 -0.55 0.00 0.00 176.35 176.75 2bnu s LYS 176 N -2.59 4.42 0.36 1.48 1.02 -1.26 -1.16 119.74 122.01 2bnu s LYS 176 Ca 0.24 1.03 0.18 0.00 0.02 0.00 0.00 55.97 57.45 2bnu s LYS 176 Cb -0.10 -3.49 0.57 0.00 -0.52 0.00 0.00 37.83 34.29 2bnu s LYS 176 CO 0.16 -0.07 1.68 0.93 -0.92 0.00 0.00 175.35 177.12 2bnu h GLU 177 N 6.94 0.00 -2.75 1.68 5.08 -1.48 -3.34 114.58 120.71 2bnu h GLU 177 Ca -0.38 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.38 2bnu h GLU 177 Cb 1.18 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 2bnu h GLU 177 CO 0.78 0.40 -0.78 -0.65 -1.00 0.00 0.00 179.01 177.76 2bnu s GLN 178 N -3.47 1.56 0.31 2.33 -0.21 -1.26 -5.02 119.66 113.90 2bnu s GLN 178 Ca 0.01 -2.56 0.05 0.00 0.02 0.00 0.00 55.36 52.88 2bnu s GLN 178 Cb 0.10 -2.34 0.84 0.00 1.00 0.00 0.00 33.01 32.61 2bnu s GLN 178 CO 0.70 -1.31 1.54 -2.30 -2.12 0.00 0.00 175.29 171.80 2bnu n PRO 179 N 2.64 -0.08 0.17 2.91 -0.02 -1.26 -1.72 135.00 137.65 2bnu n PRO 179 Ca 0.22 1.45 0.14 0.00 -2.02 0.00 0.00 63.50 63.29 2bnu n PRO 179 Cb 0.41 -2.35 0.51 0.00 -0.02 0.00 0.00 33.50 32.04 2bnu n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bnu h ALA 180 N 1.96 1.00 -2.71 3.55 0.00 -1.95 -3.45 119.26 117.66 2bnu h ALA 180 Ca 0.63 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.98 2bnu h ALA 180 Cb 1.37 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2bnu h ALA 180 CO -0.90 0.00 0.05 -0.51 0.00 0.00 0.00 179.25 177.89 2bnu s LEU 181 N -5.08 4.48 0.33 0.00 1.02 -0.70 -4.97 118.68 113.75 2bnu s LEU 181 Ca 0.04 1.33 0.12 0.00 0.02 0.00 0.00 54.13 55.65 2bnu s LEU 181 Cb 0.09 -3.05 0.56 0.00 0.02 0.00 0.00 46.19 43.82 2bnu s LEU 181 CO 0.48 0.14 1.73 -0.55 0.02 0.00 0.00 176.35 178.17 2bnu h ASN 182 N 5.18 0.00 -0.61 2.29 7.08 -1.87 -2.99 115.58 124.65 2bnu h ASN 182 Ca -0.46 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.37 2bnu h ASN 182 Cb 1.21 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 37.21 2bnu h ASN 182 CO 0.68 0.48 -0.02 -0.90 -2.08 0.00 0.00 177.43 175.59 2bnu n ASP 183 N -3.93 4.06 -4.73 6.14 5.68 -1.26 -5.04 116.55 117.48 2bnu n ASP 183 Ca -0.01 -3.77 -0.39 0.00 -0.50 0.00 0.00 54.79 50.11 2bnu n ASP 183 Cb 0.50 -0.65 0.04 0.00 -1.14 0.00 0.00 41.12 39.87 2bnu n ASP 183 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2bnu n SER 184 N -1.00 2.52 -4.83 -1.12 2.88 -1.13 -4.98 113.62 105.96 2bnu n SER 184 Ca 0.43 0.98 -0.31 0.00 -1.33 0.00 0.00 58.87 58.64 2bnu n SER 184 Cb 1.01 -1.55 0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2bnu n SER 184 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bnu s ARG 185 N -2.79 3.16 0.32 -1.46 0.52 -1.26 -4.86 118.95 112.58 2bnu s ARG 185 Ca 0.71 0.97 0.10 0.00 -0.52 0.00 0.00 55.73 56.98 2bnu s ARG 185 Cb -0.43 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2bnu s ARG 185 CO 0.50 -0.92 -0.04 0.71 0.02 0.00 0.00 175.30 175.57 2bnu s TYR 186 N -2.94 2.51 0.02 -0.53 2.02 0.12 -1.19 117.35 117.35 2bnu s TYR 186 Ca 0.59 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2bnu s TYR 186 Cb -0.14 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2bnu s TYR 186 CO 0.50 0.56 -0.09 0.00 -1.57 0.00 0.00 175.55 174.95 2bnu s ALA 187 N -2.50 0.70 -0.03 3.71 0.00 -0.31 -1.04 121.76 122.30 2bnu s ALA 187 Ca 0.33 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2bnu s ALA 187 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2bnu s ALA 187 CO 0.18 0.11 0.06 -1.17 0.00 0.00 0.00 175.76 174.95 2bnu s LEU 188 N -0.77 1.44 0.22 0.00 2.96 0.68 -0.69 118.68 122.52 2bnu s LEU 188 Ca -0.01 0.13 0.11 0.00 -0.22 0.00 0.00 54.13 54.13 2bnu s LEU 188 Cb -0.06 0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.74 2bnu s LEU 188 CO 0.00 -0.07 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.82 2bnu s SER 189 N 0.46 3.24 0.02 3.68 1.04 -1.26 -0.59 113.70 120.29 2bnu s SER 189 Ca -0.04 -0.94 -0.09 0.00 0.48 0.00 0.00 55.95 55.37 2bnu s SER 189 Cb -0.05 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2bnu s SER 189 CO -0.02 0.03 0.17 -0.55 0.98 0.00 0.00 173.24 173.85 2bnu s SER 190 N -3.03 0.03 0.03 7.02 0.15 -0.41 -1.59 113.70 115.89 2bnu s SER 190 Ca 0.23 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.68 2bnu s SER 190 Cb -0.06 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2bnu s SER 190 CO 0.11 -0.46 -0.22 -0.13 1.20 0.00 0.00 173.24 173.74 2bnu s ARG 191 N -1.93 1.53 -0.13 5.44 3.00 -0.14 -0.73 118.95 125.99 2bnu s ARG 191 Ca -0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 55.73 54.69 2bnu s ARG 191 Cb -0.04 -1.62 0.03 0.00 0.00 0.00 0.00 34.95 33.32 2bnu s ARG 191 CO -0.01 0.42 -0.05 -1.17 0.00 0.00 0.00 175.30 174.49 2bnu s LEU 192 N -1.03 1.28 -0.15 2.53 2.96 -0.49 -1.84 118.68 121.94 2bnu s LEU 192 Ca 0.08 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2bnu s LEU 192 Cb -0.09 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2bnu s LEU 192 CO 0.01 -0.16 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.17 2bnu s ARG 193 N 1.72 3.41 0.34 1.98 3.52 0.10 -0.32 118.95 129.70 2bnu s ARG 193 Ca 0.03 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2bnu s ARG 193 Cb -0.14 -2.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.47 2bnu s ARG 193 CO -0.08 0.14 0.07 0.14 -0.81 0.00 0.00 175.30 174.76 2bnu s VAL 194 N 0.57 1.08 0.62 7.11 -7.23 -0.26 -4.61 120.40 117.67 2bnu s VAL 194 Ca -0.07 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.94 2bnu s VAL 194 Cb -0.15 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 2bnu s VAL 194 CO 0.03 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 174.98 2bnu s SER 195 N -3.50 5.41 0.31 4.85 1.04 -1.26 -0.35 113.70 120.19 2bnu s SER 195 Ca 0.34 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2bnu s SER 195 Cb 0.08 -2.55 0.52 0.00 0.10 0.00 0.00 66.02 64.17 2bnu s SER 195 CO 0.15 -1.43 1.95 0.00 0.98 0.00 0.00 173.24 174.89 2bnu h ALA 196 N 0.37 1.49 -0.70 5.32 0.00 -1.36 -1.98 119.26 122.42 2bnu h ALA 196 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2bnu h ALA 196 Cb 1.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2bnu h ALA 196 CO 0.55 0.42 0.37 1.79 0.00 0.00 0.00 179.25 182.38 2bnu h THR 197 N 1.03 1.21 -0.37 0.00 1.35 -1.91 0.13 112.91 114.35 2bnu h THR 197 Ca 0.33 -0.56 -0.10 0.00 -0.55 0.00 0.00 66.41 65.53 2bnu h THR 197 Cb 0.05 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 2bnu h THR 197 CO -0.10 0.24 -0.18 0.15 -0.25 0.00 0.00 175.52 175.38 2bnu h PHE 198 N 0.98 0.89 -0.01 4.73 3.57 -1.74 -2.83 116.94 122.52 2bnu h PHE 198 Ca 0.25 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2bnu h PHE 198 Cb 0.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2bnu h PHE 198 CO 0.01 0.96 -0.33 2.35 -2.23 0.00 0.00 178.31 179.07 2bnu h TRP 199 N 0.57 0.03 0.00 0.41 2.91 -0.96 -2.83 115.95 116.07 2bnu h TRP 199 Ca 0.08 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2bnu h TRP 199 Cb 0.72 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 2bnu h TRP 199 CO 0.06 0.36 0.00 1.04 -1.03 0.00 0.00 178.44 178.86 2bnu n GLN 200 N -4.14 0.58 -3.04 2.65 6.02 -0.01 -1.25 117.38 118.20 2bnu n GLN 200 Ca -0.02 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 2bnu n GLN 200 Cb 0.38 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 2bnu n GLN 200 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bnu s ASP 201 N -2.34 6.37 0.27 1.08 -1.08 -1.07 -2.82 116.67 117.08 2bnu s ASP 201 Ca 0.32 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.33 2bnu s ASP 201 Cb 0.19 -2.35 0.95 0.00 -1.46 0.00 0.00 42.92 40.24 2bnu s ASP 201 CO 0.38 -0.83 1.52 -2.65 0.52 0.00 0.00 175.17 174.11 2bnu n PRO 202 N 6.45 0.11 0.11 4.34 -0.02 -1.26 -1.57 135.00 143.17 2bnu n PRO 202 Ca 0.00 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2bnu n PRO 202 Cb 0.48 -1.90 0.34 0.00 -0.02 0.00 0.00 33.50 32.40 2bnu n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bnu h ARG 203 N 0.00 0.00 -6.29 -0.52 2.47 -1.91 -3.39 114.38 104.74 2bnu h ARG 203 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 2bnu h ARG 203 Cb 0.05 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 2bnu h ARG 203 CO 0.00 0.00 0.41 -0.80 0.56 0.00 0.00 179.97 180.14 2bnu s ASN 204 N -4.64 7.26 -0.18 7.04 0.02 -0.61 -4.96 114.94 118.88 2bnu s ASN 204 Ca 0.09 1.54 -0.03 0.00 -1.02 0.00 0.00 52.86 53.44 2bnu s ASN 204 Cb 0.12 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.83 2bnu s ASN 204 CO 0.63 -0.32 -0.05 -2.28 0.02 0.00 0.00 177.10 175.10 2bnu s HIS 205 N 1.41 2.97 -0.13 2.20 5.65 -1.26 -1.22 115.29 124.91 2bnu s HIS 205 Ca 0.48 -0.54 -0.00 0.00 0.25 0.00 0.00 55.06 55.25 2bnu s HIS 205 Cb -0.19 -2.00 -0.01 0.00 -1.18 0.00 0.00 32.58 29.19 2bnu s HIS 205 CO 0.23 -0.23 -0.13 -0.06 -0.65 0.00 0.00 174.74 173.89 2bnu s PHE 206 N 0.76 2.80 -0.05 3.88 0.08 0.42 -0.85 117.98 125.02 2bnu s PHE 206 Ca -0.02 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2bnu s PHE 206 Cb -0.15 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2bnu s PHE 206 CO 0.02 -0.25 -0.11 0.50 -0.10 0.00 0.00 175.22 175.28 2bnu s ARG 207 N 0.42 1.39 -0.15 0.44 3.52 0.33 -1.01 118.95 123.89 2bnu s ARG 207 Ca -0.10 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2bnu s ARG 207 Cb -0.16 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 32.01 2bnu s ARG 207 CO 0.05 0.06 -0.11 0.00 -0.81 0.00 0.00 175.30 174.49 2bnu s GLN 209 N 0.62 0.96 -0.14 0.00 -2.07 -0.30 -1.33 119.66 117.40 2bnu s GLN 209 Ca -0.06 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 2bnu s GLN 209 Cb -0.15 -1.00 0.03 0.00 -1.09 0.00 0.00 33.01 30.79 2bnu s GLN 209 CO 0.03 0.24 -0.11 0.08 -1.32 0.00 0.00 175.29 174.21 2bnu s VAL 210 N -0.96 1.35 -0.14 3.63 1.01 0.15 -1.16 120.40 124.27 2bnu s VAL 210 Ca 0.02 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2bnu s VAL 210 Cb -0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2bnu s VAL 210 CO 0.02 0.39 0.58 -1.58 0.00 0.00 0.00 175.10 174.51 2bnu s GLN 211 N 1.57 4.30 -0.13 2.72 0.74 0.37 -1.14 119.66 128.09 2bnu s GLN 211 Ca 0.04 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.06 2bnu s GLN 211 Cb -0.13 -3.50 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 2bnu s GLN 211 CO -0.09 -0.03 -0.14 0.12 -0.55 0.00 0.00 175.29 174.59 2bnu s PHE 212 N 1.20 2.78 -0.33 1.67 5.36 0.73 -0.93 117.98 128.47 2bnu s PHE 212 Ca 0.29 -0.74 -0.14 0.00 -0.96 0.00 0.00 56.93 55.38 2bnu s PHE 212 Cb -0.16 -1.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2bnu s PHE 212 CO 0.12 -0.27 0.29 0.71 -1.46 0.00 0.00 175.22 174.61 2bnu s TYR 213 N 0.42 3.22 0.00 10.12 2.02 -0.23 -1.01 117.35 131.88 2bnu s TYR 213 Ca -0.11 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2bnu s TYR 213 Cb -0.16 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 2bnu s TYR 213 CO 0.05 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 2bnu n GLY 214 N 5.01 4.57 3.83 0.71 0.00 -1.26 -4.74 105.19 113.31 2bnu n GLY 214 Ca -0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2bnu n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnu s LEU 215 N 0.00 3.13 0.30 0.99 1.43 -0.57 -4.48 118.68 119.47 2bnu s LEU 215 Ca 0.00 1.57 -0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2bnu s LEU 215 Cb 0.00 -4.47 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2bnu s LEU 215 CO 0.00 -1.36 0.62 -0.55 0.23 0.00 0.00 176.35 175.29 2bnu s SER 216 N -3.87 6.57 0.00 2.29 0.15 -1.26 -2.89 113.70 114.69 2bnu s SER 216 Ca 0.58 0.96 -0.03 0.00 0.70 0.00 0.00 55.95 58.16 2bnu s SER 216 Cb -0.13 -2.24 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 2bnu s SER 216 CO 0.55 -0.20 2.35 -0.62 1.20 0.00 0.00 173.24 176.52 2bnu n GLU 217 N -0.64 1.23 0.00 5.44 1.02 -1.26 -2.05 120.64 124.38 2bnu n GLU 217 Ca 0.01 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 2bnu n GLU 217 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2bnu n GLU 217 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bnu n ASN 218 N 2.17 0.00 -4.77 1.62 3.02 -1.26 -5.11 115.26 110.93 2bnu n ASN 218 Ca 0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.39 2bnu n ASN 218 Cb 0.58 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.77 2bnu n ASN 218 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2bnu s ASP 219 N 0.00 5.43 -0.06 6.41 1.01 -0.87 -4.97 116.67 123.61 2bnu s ASP 219 Ca 0.00 2.16 -0.30 0.00 0.71 0.00 0.00 52.55 55.12 2bnu s ASP 219 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2bnu s ASP 219 CO 0.00 -1.42 1.08 -1.61 0.21 0.00 0.00 175.17 173.43 2bnu s GLU 220 N -3.54 4.42 -0.17 8.23 0.41 -1.26 -5.01 118.70 121.77 2bnu s GLU 220 Ca 0.72 1.52 -0.02 0.00 -0.41 0.00 0.00 54.97 56.78 2bnu s GLU 220 Cb -0.24 -3.52 0.05 0.00 -1.78 0.00 0.00 34.13 28.64 2bnu s GLU 220 CO 0.32 -0.31 -0.00 -0.46 -0.49 0.00 0.00 175.26 174.32 2bnu s TRP 221 N 1.84 1.31 -0.35 1.61 -0.11 -1.26 -5.01 118.94 116.97 2bnu s TRP 221 Ca 0.52 -0.92 0.06 0.00 1.22 0.00 0.00 56.10 56.98 2bnu s TRP 221 Cb -0.22 -1.13 0.46 0.00 -1.50 0.00 0.00 33.47 31.08 2bnu s TRP 221 CO 0.22 -0.59 1.34 -2.37 -4.62 0.00 0.00 176.95 170.93 2bnu n THR 222 N 4.97 2.69 -4.08 5.86 5.66 -1.26 -5.03 114.28 123.10 2bnu n THR 222 Ca -0.10 -3.90 -0.29 0.00 -3.05 0.00 0.00 64.05 56.72 2bnu n THR 222 Cb 0.47 -1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 68.13 2bnu n THR 222 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2bnu s GLN 223 N -3.60 2.81 -0.00 1.09 -1.52 -1.26 -4.99 119.66 112.19 2bnu s GLN 223 Ca 0.52 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 2bnu s GLN 223 Cb 0.42 -2.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 2bnu s GLN 223 CO 0.02 0.53 1.61 -0.40 -0.25 0.00 0.00 175.29 176.80 2bnu n ASP 224 N 0.16 4.43 -3.92 5.90 5.75 -1.26 -4.75 116.55 122.86 2bnu n ASP 224 Ca -0.09 -2.25 -0.09 0.00 -0.01 0.00 0.00 54.79 52.35 2bnu n ASP 224 Cb 0.53 -0.88 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 2bnu n ASP 224 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bnu s ARG 225 N -0.00 0.70 0.31 0.11 1.70 -1.26 -5.13 118.95 115.37 2bnu s ARG 225 Ca 0.00 -0.90 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2bnu s ARG 225 Cb 0.00 0.28 -0.13 0.00 -0.57 0.00 0.00 34.95 34.53 2bnu s ARG 225 CO 0.00 -0.19 1.31 0.00 -1.08 0.00 0.00 175.30 175.33 2bnu n ALA 226 N 0.33 1.15 -1.77 7.88 0.00 -1.26 -4.87 120.51 121.97 2bnu n ALA 226 Ca -0.17 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 2bnu n ALA 226 Cb 0.60 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 2bnu n ALA 226 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bnu s LYS 227 N -1.43 4.15 -1.25 0.00 2.20 -1.26 -4.85 119.74 117.29 2bnu s LYS 227 Ca 0.59 2.55 -0.14 0.00 -0.36 0.00 0.00 55.97 58.62 2bnu s LYS 227 Cb -0.60 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 2bnu s LYS 227 CO 0.58 -0.76 2.30 -0.35 -0.36 0.00 0.00 175.35 176.77 2bnu n PRO 228 N 4.68 2.61 -1.89 4.03 -0.04 -1.26 -4.94 135.00 138.19 2bnu n PRO 228 Ca 0.16 -2.16 -0.29 0.00 -0.04 0.00 0.00 63.50 61.17 2bnu n PRO 228 Cb 0.37 -2.97 0.09 0.00 -0.04 0.00 0.00 33.50 30.95 2bnu n PRO 228 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bnu s VAL 229 N 3.43 2.06 0.32 0.52 -7.23 -1.26 -1.52 120.40 116.71 2bnu s VAL 229 Ca 0.53 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.43 2bnu s VAL 229 Cb 0.14 -3.01 -0.12 0.00 0.56 0.00 0.00 36.38 33.96 2bnu s VAL 229 CO -0.03 -0.02 1.51 0.41 -0.31 0.00 0.00 175.10 176.66 2bnu n THR 230 N -3.32 1.40 -3.74 5.32 -1.04 -1.14 -4.40 114.28 107.36 2bnu n THR 230 Ca 0.08 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.05 61.71 2bnu n THR 230 Cb 0.61 -1.86 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 2bnu n THR 230 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bnu s GLN 231 N -1.10 1.06 -0.12 -2.82 -2.07 -0.18 -4.90 119.66 109.53 2bnu s GLN 231 Ca 0.60 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 53.56 2bnu s GLN 231 Cb -0.52 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 2bnu s GLN 231 CO 0.55 -0.49 -0.13 0.42 -1.32 0.00 0.00 175.29 174.32 2bnu s ILE 232 N -3.06 3.08 -0.11 3.63 1.01 -1.26 -0.19 121.20 124.30 2bnu s ILE 232 Ca 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.14 2bnu s ILE 232 Cb -0.00 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 2bnu s ILE 232 CO 0.01 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.60 2bnu s VAL 233 N 0.15 2.39 0.20 2.92 1.01 -0.29 -4.96 120.40 121.82 2bnu s VAL 233 Ca -0.07 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2bnu s VAL 233 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2bnu s VAL 233 CO 0.05 0.55 -0.02 -0.94 0.00 0.00 0.00 175.10 174.73 2bnu s SER 234 N 0.37 1.65 0.02 3.32 1.04 -1.26 -0.67 113.70 118.17 2bnu s SER 234 Ca -0.16 -1.16 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 2bnu s SER 234 Cb -0.17 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 2bnu s SER 234 CO 0.07 -0.49 0.13 0.00 0.98 0.00 0.00 173.24 173.93 2bnu s ALA 235 N -3.47 -0.24 0.20 5.32 0.00 -0.44 -4.87 121.76 118.26 2bnu s ALA 235 Ca 0.25 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2bnu s ALA 235 Cb 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2bnu s ALA 235 CO 0.06 -0.25 0.24 -1.83 0.00 0.00 0.00 175.76 173.97 2bnu s GLU 236 N -1.85 1.25 0.08 0.00 -1.05 -1.26 -0.91 118.70 114.96 2bnu s GLU 236 Ca -0.11 -1.44 -0.18 0.00 -0.15 0.00 0.00 54.97 53.09 2bnu s GLU 236 Cb -0.05 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.01 2bnu s GLU 236 CO -0.01 -0.45 0.43 0.00 0.95 0.00 0.00 175.26 176.18 2bnu s ALA 237 N -4.08 -1.04 0.13 -0.84 0.00 -0.18 -4.87 121.76 110.89 2bnu s ALA 237 Ca 0.30 0.21 0.11 0.00 0.00 0.00 0.00 51.96 52.58 2bnu s ALA 237 Cb 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2bnu s ALA 237 CO 0.08 -0.55 -0.25 -1.58 0.00 0.00 0.00 175.76 173.47 2bnu s TRP 238 N -3.03 2.35 1.02 0.00 0.52 -1.26 -0.44 118.94 118.10 2bnu s TRP 238 Ca -0.02 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 2bnu s TRP 238 Cb 0.00 -1.26 0.20 0.00 -1.15 0.00 0.00 33.47 31.26 2bnu s TRP 238 CO -0.06 0.36 1.08 0.20 0.02 0.00 0.00 176.95 178.54 2bnu s GLY 239 N -2.10 1.60 -0.15 0.98 0.00 -0.35 -4.99 107.32 102.31 2bnu s GLY 239 Ca 0.15 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.83 2bnu s GLY 239 CO 0.07 0.63 0.37 1.09 0.00 0.00 0.00 173.10 175.26 2bnu s ARG 240 N -4.67 0.38 0.54 2.90 1.70 -0.38 -4.06 118.95 115.35 2bnu s ARG 240 Ca 0.66 0.63 0.25 0.00 -0.47 0.00 0.00 55.73 56.81 2bnu s ARG 240 Cb -0.22 0.05 1.41 0.00 -0.57 0.00 0.00 34.95 35.62 2bnu s ARG 240 CO 0.60 -0.12 2.00 0.00 -1.08 0.00 0.00 175.30 176.71 2bnu h ALA 241 N 6.50 2.44 0.00 7.88 0.00 -1.81 -3.37 119.26 130.91 2bnu h ALA 241 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bnu h ALA 241 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bnu h ALA 241 CO 0.30 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.68