#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f54 s VAL 2 N 0.00 3.21 -0.14 1.61 1.01 -1.26 -3.23 120.40 121.59 2f54 s VAL 2 Ca 0.00 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 59.79 2f54 s VAL 2 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2f54 s VAL 2 CO 0.00 -0.66 0.34 0.42 0.00 0.00 0.00 175.10 175.20 2f54 s THR 3 N 1.13 5.27 -0.04 3.92 -4.23 -0.21 -4.11 115.64 117.38 2f54 s THR 3 Ca 0.08 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2f54 s THR 3 Cb -0.22 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 2f54 s THR 3 CO -0.04 0.39 -0.12 -1.10 -0.54 0.00 0.00 174.62 173.20 2f54 s GLN 4 N 0.42 2.51 -0.00 3.99 -0.21 -1.26 -1.56 119.66 123.54 2f54 s GLN 4 Ca 0.19 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.89 2f54 s GLN 4 Cb -0.14 -2.41 -0.00 0.00 1.00 0.00 0.00 33.01 31.46 2f54 s GLN 4 CO 0.06 0.62 -0.06 0.95 -2.12 0.00 0.00 175.29 174.74 2f54 s THR 5 N -0.80 0.49 0.36 -0.19 -4.23 -0.89 -4.54 115.64 105.84 2f54 s THR 5 Ca 0.13 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 2f54 s THR 5 Cb -0.11 -0.41 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 2f54 s THR 5 CO 0.02 0.13 0.53 -2.16 -0.54 0.00 0.00 174.62 172.60 2f54 s PRO 6 N -0.16 3.19 0.20 3.99 0.04 -1.26 -0.81 135.00 140.19 2f54 s PRO 6 Ca 0.02 -0.72 -0.09 0.00 0.04 0.00 0.00 61.00 60.26 2f54 s PRO 6 Cb -0.02 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 31.91 2f54 s PRO 6 CO -0.00 0.02 1.73 0.87 0.04 0.00 0.00 177.00 179.66 2f54 h LYS 7 N 0.75 1.12 -4.93 4.56 6.56 -1.80 -3.40 116.57 119.44 2f54 h LYS 7 Ca -0.47 -0.24 -0.30 0.00 -1.06 0.00 0.00 60.65 58.58 2f54 h LYS 7 Cb 1.25 -0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 32.59 2f54 h LYS 7 CO 0.57 0.95 -0.71 -0.06 -2.06 0.00 0.00 179.45 178.14 2f54 s PHE 8 N -5.42 1.12 -0.28 -1.35 0.08 -1.26 -0.02 117.98 110.84 2f54 s PHE 8 Ca -0.12 -0.78 -0.23 0.00 0.12 0.00 0.00 56.93 55.92 2f54 s PHE 8 Cb 0.15 -0.59 0.12 0.00 -0.57 0.00 0.00 43.02 42.13 2f54 s PHE 8 CO 0.84 -0.00 1.00 -1.14 -0.10 0.00 0.00 175.22 175.82 2f54 s GLN 9 N -3.57 0.50 0.06 0.44 2.00 -0.53 -4.89 119.66 113.67 2f54 s GLN 9 Ca 0.13 0.64 0.06 0.00 -2.00 0.00 0.00 55.36 54.20 2f54 s GLN 9 Cb 0.02 0.22 -0.04 0.00 0.80 0.00 0.00 33.01 34.01 2f54 s GLN 9 CO -0.01 -0.07 -0.13 0.08 -0.50 0.00 0.00 175.29 174.66 2f54 s VAL 10 N 0.48 3.19 -0.05 1.34 1.01 -1.26 -1.75 120.40 123.36 2f54 s VAL 10 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 2f54 s VAL 10 Cb -0.05 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.94 2f54 s VAL 10 CO -0.08 0.25 0.33 -0.76 0.00 0.00 0.00 175.10 174.84 2f54 s LEU 11 N -1.77 0.76 0.13 3.92 1.43 -0.38 -4.95 118.68 117.82 2f54 s LEU 11 Ca 0.18 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2f54 s LEU 11 Cb -0.11 1.27 -0.06 0.00 0.03 0.00 0.00 46.19 47.33 2f54 s LEU 11 CO 0.09 -0.35 0.39 -0.75 0.23 0.00 0.00 176.35 175.96 2f54 s LYS 12 N -0.86 3.65 0.46 1.70 2.20 -1.26 -0.28 119.74 125.36 2f54 s LYS 12 Ca -0.09 -0.02 -0.24 0.00 -0.36 0.00 0.00 55.97 55.25 2f54 s LYS 12 Cb -0.04 -2.87 -0.08 0.00 -1.51 0.00 0.00 37.83 33.33 2f54 s LYS 12 CO 0.03 0.48 1.34 0.25 -0.36 0.00 0.00 175.35 177.09 2f54 n THR 13 N 0.25 2.92 -0.11 3.43 -2.24 0.34 -2.51 114.28 116.37 2f54 n THR 13 Ca -0.04 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2f54 n THR 13 Cb 0.52 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 2f54 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f54 n GLY 14 N 0.73 1.25 3.85 3.38 0.00 -0.47 -4.90 105.19 109.03 2f54 n GLY 14 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2f54 n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f54 s GLN 15 N -0.53 3.98 0.45 1.61 -0.21 -1.04 -4.40 119.66 119.52 2f54 s GLN 15 Ca 0.00 0.68 -0.02 0.00 0.02 0.00 0.00 55.36 56.04 2f54 s GLN 15 Cb 0.00 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 2f54 s GLN 15 CO 0.00 0.08 0.71 -1.54 -2.12 0.00 0.00 175.29 172.42 2f54 s SER 16 N -2.47 6.02 -0.18 5.90 1.04 -1.23 -0.16 113.70 122.62 2f54 s SER 16 Ca 0.55 0.56 -0.28 0.00 0.48 0.00 0.00 55.95 57.26 2f54 s SER 16 Cb -0.10 -1.87 0.10 0.00 0.10 0.00 0.00 66.02 64.24 2f54 s SER 16 CO 0.20 -0.62 0.86 -0.32 0.98 0.00 0.00 173.24 174.34 2f54 s MET 17 N -4.61 0.75 -0.10 4.02 1.75 -0.74 -4.96 119.30 115.41 2f54 s MET 17 Ca 0.47 0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 55.36 2f54 s MET 17 Cb -0.10 0.36 0.03 0.00 2.84 0.00 0.00 34.83 37.96 2f54 s MET 17 CO 0.40 -0.18 -0.06 0.99 -0.65 0.00 0.00 175.02 175.53 2f54 s THR 18 N -0.51 0.89 -0.32 10.11 2.01 -1.26 -1.05 115.64 125.51 2f54 s THR 18 Ca -0.03 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 2f54 s THR 18 Cb -0.02 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2f54 s THR 18 CO 0.02 0.34 0.23 -0.76 -0.69 0.00 0.00 174.62 173.76 2f54 s LEU 19 N 1.74 4.35 0.30 4.42 1.43 -0.33 -4.76 118.68 125.83 2f54 s LEU 19 Ca 0.05 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2f54 s LEU 19 Cb -0.13 -2.14 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 2f54 s LEU 19 CO -0.07 -0.18 0.77 -1.10 0.23 0.00 0.00 176.35 176.00 2f54 s GLN 20 N 1.75 4.17 -0.05 1.70 -1.52 0.01 -1.54 119.66 124.17 2f54 s GLN 20 Ca 0.07 0.84 -0.02 0.00 -1.95 0.00 0.00 55.36 54.30 2f54 s GLN 20 Cb -0.17 -2.60 0.04 0.00 -0.22 0.00 0.00 33.01 30.06 2f54 s GLN 20 CO 0.11 0.23 0.11 0.00 -0.25 0.00 0.00 175.29 175.49 2f54 s ALA 22 N 1.38 0.48 -0.09 0.00 0.00 -0.60 -0.73 121.76 122.19 2f54 s ALA 22 Ca -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2f54 s ALA 22 Cb -0.12 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.09 2f54 s ALA 22 CO -0.05 -0.02 0.20 1.14 0.00 0.00 0.00 175.76 177.02 2f54 s GLN 23 N -1.35 0.13 -0.42 0.00 1.03 -0.80 -1.04 119.66 117.20 2f54 s GLN 23 Ca -0.09 0.51 0.03 0.00 0.04 0.00 0.00 55.36 55.85 2f54 s GLN 23 Cb -0.09 -0.16 0.57 0.00 0.03 0.00 0.00 33.01 33.37 2f54 s GLN 23 CO 0.00 -0.21 1.84 -0.40 -2.54 0.00 0.00 175.29 173.98 2f54 n ASP 24 N 4.58 4.07 -0.46 12.60 5.75 -1.20 -4.33 116.55 137.56 2f54 n ASP 24 Ca -0.19 -3.45 0.04 0.00 -0.01 0.00 0.00 54.79 51.18 2f54 n ASP 24 Cb 0.51 -0.82 0.11 0.00 -1.03 0.00 0.00 41.12 39.89 2f54 n ASP 24 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2f54 n MET 25 N -0.93 2.76 -2.68 0.11 2.81 -1.26 -4.88 117.12 113.06 2f54 n MET 25 Ca 0.53 -1.86 -0.20 0.00 -1.81 0.00 0.00 57.70 54.37 2f54 n MET 25 Cb 1.45 -1.19 0.01 0.00 -0.71 0.00 0.00 33.22 32.78 2f54 n MET 25 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2f54 n ASN 26 N 0.25 -5.75 -4.74 7.83 3.02 -1.26 -4.96 115.26 109.65 2f54 n ASN 26 Ca 0.08 -0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 2f54 n ASN 26 Cb 0.37 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 34.82 2f54 n ASN 26 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2f54 s HIS 27 N -3.06 3.66 0.02 3.10 3.76 -1.26 -4.93 115.29 116.57 2f54 s HIS 27 Ca 0.15 1.67 -0.12 0.00 -0.15 0.00 0.00 55.06 56.61 2f54 s HIS 27 Cb -0.06 -3.22 -0.33 0.00 1.11 0.00 0.00 32.58 30.08 2f54 s HIS 27 CO 0.18 -0.40 0.93 0.93 -0.85 0.00 0.00 174.74 175.53 2f54 h GLU 28 N 4.79 0.44 -5.48 1.40 3.07 -1.85 -3.45 114.58 113.50 2f54 h GLU 28 Ca -0.45 -0.76 -0.60 0.00 -0.50 0.00 0.00 59.36 57.06 2f54 h GLU 28 Cb 1.21 0.28 -0.11 0.00 -0.84 0.00 0.00 28.75 29.30 2f54 h GLU 28 CO 0.71 1.35 -0.22 -0.47 -1.40 0.00 0.00 179.01 178.98 2f54 s TYR 29 N -2.60 3.41 -0.02 4.33 5.04 -0.93 -2.03 117.35 124.55 2f54 s TYR 29 Ca -0.10 0.65 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 2f54 s TYR 29 Cb 0.05 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.89 2f54 s TYR 29 CO 0.91 0.07 -0.02 -1.64 -1.34 0.00 0.00 175.55 173.53 2f54 s MET 30 N 1.02 0.35 0.10 4.97 -1.94 -0.23 -0.91 119.30 122.66 2f54 s MET 30 Ca 0.19 -0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.15 2f54 s MET 30 Cb -0.14 -0.42 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 2f54 s MET 30 CO 0.07 -0.03 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.45 2f54 s SER 31 N 0.47 1.18 -0.06 3.03 1.04 0.24 -0.81 113.70 118.78 2f54 s SER 31 Ca -0.05 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.49 2f54 s SER 31 Cb -0.08 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2f54 s SER 31 CO -0.01 -0.42 -0.23 0.26 0.98 0.00 0.00 173.24 173.82 2f54 s TRP 32 N -3.30 2.32 0.39 5.02 0.52 -0.21 -0.63 118.94 123.04 2f54 s TRP 32 Ca 0.09 -0.75 0.07 0.00 0.02 0.00 0.00 56.10 55.54 2f54 s TRP 32 Cb 0.03 -1.53 -0.08 0.00 -1.15 0.00 0.00 33.47 30.74 2f54 s TRP 32 CO -0.04 -0.25 -0.00 0.71 0.02 0.00 0.00 176.95 177.39 2f54 s TYR 33 N -0.00 2.45 -0.00 -1.98 2.02 0.47 -0.70 117.35 119.61 2f54 s TYR 33 Ca -0.07 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 2f54 s TYR 33 Cb -0.14 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 2f54 s TYR 33 CO 0.05 0.43 0.00 -0.98 -1.57 0.00 0.00 175.55 173.47 2f54 s ARG 34 N -3.71 0.01 -0.10 -0.62 1.70 -0.77 -2.00 118.95 113.45 2f54 s ARG 34 Ca 0.35 0.00 0.02 0.00 -0.47 0.00 0.00 55.73 55.63 2f54 s ARG 34 Cb 0.09 -0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 2f54 s ARG 34 CO 0.17 -0.01 -0.17 -1.14 -1.08 0.00 0.00 175.30 173.07 2f54 s GLN 35 N 0.05 2.41 -0.07 3.89 0.74 0.25 -1.74 119.66 125.20 2f54 s GLN 35 Ca -0.00 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 54.80 2f54 s GLN 35 Cb -0.01 -1.97 0.01 0.00 1.10 0.00 0.00 33.01 32.14 2f54 s GLN 35 CO -0.00 0.01 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.07 2f54 s ASP 36 N 0.78 2.27 -0.28 6.67 1.01 -1.26 -2.83 116.67 123.03 2f54 s ASP 36 Ca -0.10 -0.39 -0.43 0.00 0.71 0.00 0.00 52.55 52.33 2f54 s ASP 36 Cb -0.16 -0.96 -0.19 0.00 1.01 0.00 0.00 42.92 42.63 2f54 s ASP 36 CO 0.01 0.10 1.48 -2.65 0.21 0.00 0.00 175.17 174.33 2f54 n PRO 37 N 3.57 0.36 -2.70 8.23 -0.02 -1.26 -1.89 135.00 141.29 2f54 n PRO 37 Ca -0.21 0.13 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 2f54 n PRO 37 Cb 0.52 -1.68 0.02 0.00 -0.02 0.00 0.00 33.50 32.34 2f54 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f54 n GLY 38 N 3.31 0.62 0.00 -1.23 0.00 -1.26 -4.93 105.19 101.70 2f54 n GLY 38 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2f54 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2f54 n MET 39 N -1.43 2.79 -0.08 1.61 2.81 -0.80 -5.17 117.12 116.85 2f54 n MET 39 Ca -0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2f54 n MET 39 Cb 0.51 -0.23 -0.00 0.00 -0.71 0.00 0.00 33.22 32.79 2f54 n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f54 n GLY 40 N 0.00 -2.22 3.70 3.03 0.00 -1.26 -4.80 105.19 103.64 2f54 n GLY 40 Ca 0.00 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2f54 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f54 s LEU 41 N 0.00 4.30 -0.12 0.99 1.43 -1.26 -4.13 118.68 119.89 2f54 s LEU 41 Ca 0.00 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 2f54 s LEU 41 Cb 0.00 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 2f54 s LEU 41 CO 0.00 -0.45 -0.19 -0.13 0.23 0.00 0.00 176.35 175.82 2f54 s ARG 42 N 1.69 3.20 -0.11 1.70 0.52 -0.71 -4.95 118.95 120.29 2f54 s ARG 42 Ca 0.53 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 2f54 s ARG 42 Cb -0.22 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2f54 s ARG 42 CO 0.23 0.17 1.21 -1.17 0.02 0.00 0.00 175.30 175.76 2f54 s LEU 43 N 0.41 4.23 -0.10 2.53 2.96 -1.26 -1.85 118.68 125.60 2f54 s LEU 43 Ca -0.14 1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 55.44 2f54 s LEU 43 Cb -0.17 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2f54 s LEU 43 CO 0.06 -0.66 -0.11 0.40 -1.32 0.00 0.00 176.35 174.73 2f54 h ILE 44 N 5.25 0.00 -3.83 6.68 2.04 -1.18 1.81 117.51 128.27 2f54 h ILE 44 Ca -0.30 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 2f54 h ILE 44 Cb 1.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.07 2f54 h ILE 44 CO 0.92 0.00 -0.37 -1.00 0.00 0.00 0.00 178.15 177.71 2f54 s HIS 45 N -1.84 0.21 0.12 1.37 3.76 -1.22 0.42 115.29 118.11 2f54 s HIS 45 Ca -0.09 -0.63 -0.17 0.00 -0.15 0.00 0.00 55.06 54.02 2f54 s HIS 45 Cb 0.01 -0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.67 2f54 s HIS 45 CO 0.13 -0.57 0.42 1.52 -0.85 0.00 0.00 174.74 175.39 2f54 s TYR 46 N -3.88 -0.24 -0.02 1.40 1.13 -0.33 -1.05 117.35 114.35 2f54 s TYR 46 Ca 0.07 -0.02 -0.00 0.00 -1.41 0.00 0.00 57.07 55.71 2f54 s TYR 46 Cb 0.05 0.28 0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2f54 s TYR 46 CO -0.09 -0.70 0.03 0.45 -2.51 0.00 0.00 175.55 172.74 2f54 s SER 47 N -2.68 0.19 0.00 -0.18 0.15 0.00 -0.04 113.70 111.15 2f54 s SER 47 Ca 0.02 0.05 0.21 0.00 0.70 0.00 0.00 55.95 56.92 2f54 s SER 47 Cb 0.01 -0.08 0.73 0.00 -1.71 0.00 0.00 66.02 64.98 2f54 s SER 47 CO -0.11 -0.14 1.54 1.33 1.20 0.00 0.00 173.24 177.06 2f54 n VAL 48 N 4.32 0.22 0.00 4.45 0.24 -1.26 -1.07 118.33 125.23 2f54 n VAL 48 Ca -0.25 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2f54 n VAL 48 Cb 0.50 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2f54 n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f54 n GLY 49 N 1.16 1.24 3.72 7.63 0.00 -0.86 -4.22 105.19 113.85 2f54 n GLY 49 Ca 0.16 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2f54 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f54 n ALA 50 N -0.41 1.95 0.00 4.61 0.00 -1.26 -2.30 120.51 123.10 2f54 n ALA 50 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2f54 n ALA 50 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 2f54 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f54 n GLY 51 N 2.02 1.57 3.20 0.00 0.00 -0.23 -5.04 105.19 106.71 2f54 n GLY 51 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2f54 n GLY 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f54 s ILE 52 N -2.35 1.17 -0.03 -0.61 2.07 -0.97 -5.00 121.20 115.49 2f54 s ILE 52 Ca 0.00 -1.53 -0.17 0.00 -1.41 0.00 0.00 60.65 57.54 2f54 s ILE 52 Cb 0.00 -1.30 0.03 0.00 0.13 0.00 0.00 42.46 41.32 2f54 s ILE 52 CO 0.00 -0.36 0.37 0.42 -1.91 0.00 0.00 174.94 173.46 2f54 s THR 53 N -1.82 0.05 -0.02 4.00 -4.23 -1.26 -4.43 115.64 107.93 2f54 s THR 53 Ca 0.04 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 2f54 s THR 53 Cb -0.07 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2f54 s THR 53 CO 0.02 -0.21 0.12 -1.81 -0.54 0.00 0.00 174.62 172.20 2f54 s ASP 54 N -1.24 -0.01 0.67 3.99 1.11 0.95 -4.99 116.67 117.15 2f54 s ASP 54 Ca -0.13 -0.05 -0.16 0.00 0.18 0.00 0.00 52.55 52.40 2f54 s ASP 54 Cb -0.04 0.22 0.01 0.00 1.07 0.00 0.00 42.92 44.17 2f54 s ASP 54 CO 0.05 -0.23 1.15 -1.10 1.18 0.00 0.00 175.17 176.22 2f54 s GLN 55 N -0.81 2.63 0.00 8.23 -0.21 -1.26 -1.19 119.66 127.06 2f54 s GLN 55 Ca -0.09 1.56 0.00 0.00 0.02 0.00 0.00 55.36 56.85 2f54 s GLN 55 Cb -0.05 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2f54 s GLN 55 CO 0.01 -1.41 0.00 0.41 -2.12 0.00 0.00 175.29 172.17 2f54 n GLY 56 N -0.09 0.65 0.09 3.09 0.00 0.17 -4.73 105.19 104.37 2f54 n GLY 56 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2f54 n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f54 n GLU 57 N 0.00 0.68 -3.11 1.61 2.13 0.61 -4.66 120.64 117.89 2f54 n GLU 57 Ca 0.00 0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.61 2f54 n GLU 57 Cb 0.00 -1.55 -0.04 0.00 0.27 0.00 0.00 31.44 30.12 2f54 n GLU 57 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2f54 n VAL 58 N -2.75 1.01 0.20 6.31 0.31 -0.70 -4.91 118.33 117.81 2f54 n VAL 58 Ca -0.29 -4.92 0.08 0.00 -0.01 0.00 0.00 64.34 59.20 2f54 n VAL 58 Cb 1.10 -0.84 0.39 0.00 -0.91 0.00 0.00 33.84 33.58 2f54 n VAL 58 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2f54 h PRO 59 N 3.11 0.00 -6.33 5.55 0.13 -1.81 -3.43 132.00 129.23 2f54 h PRO 59 Ca 0.11 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.60 2f54 h PRO 59 Cb 0.79 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.96 2f54 h PRO 59 CO 0.62 0.30 0.78 0.09 -0.23 0.00 0.00 178.00 179.56 2f54 n ASN 60 N -3.45 2.63 0.00 1.44 5.03 -1.26 -1.56 115.26 118.09 2f54 n ASN 60 Ca 0.00 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.52 2f54 n ASN 60 Cb 0.47 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 2f54 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2f54 n GLY 61 N 3.50 0.73 2.98 7.41 0.00 -1.26 -5.05 105.19 113.50 2f54 n GLY 61 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2f54 n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2f54 s TYR 62 N -2.91 1.30 0.14 1.61 2.02 -0.60 -4.29 117.35 114.61 2f54 s TYR 62 Ca 0.00 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2f54 s TYR 62 Cb 0.00 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 2f54 s TYR 62 CO 0.00 -0.29 0.17 -0.80 -1.57 0.00 0.00 175.55 173.06 2f54 s ASN 63 N 0.84 5.79 0.01 2.29 0.02 0.12 -4.96 114.94 119.05 2f54 s ASN 63 Ca -0.12 -0.00 -0.11 0.00 -1.02 0.00 0.00 52.86 51.61 2f54 s ASN 63 Cb -0.15 -1.60 0.01 0.00 0.02 0.00 0.00 41.25 39.53 2f54 s ASN 63 CO 0.02 0.09 0.22 -0.69 0.02 0.00 0.00 177.10 176.76 2f54 s VAL 64 N -1.66 0.08 -0.05 1.60 1.01 -1.26 -0.38 120.40 119.74 2f54 s VAL 64 Ca 0.32 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2f54 s VAL 64 Cb -0.11 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2f54 s VAL 64 CO 0.25 -0.37 0.28 -0.94 0.00 0.00 0.00 175.10 174.32 2f54 s SER 65 N -1.58 -0.20 -0.52 3.32 1.04 -1.22 -5.03 113.70 109.50 2f54 s SER 65 Ca -0.11 0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.59 2f54 s SER 65 Cb -0.05 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.67 2f54 s SER 65 CO 0.01 -0.31 0.47 -1.14 0.98 0.00 0.00 173.24 173.24 2f54 n ARG 66 N 1.89 1.04 -0.02 4.02 3.00 -1.26 -3.90 116.66 121.43 2f54 n ARG 66 Ca -0.19 -3.75 -0.16 0.00 -0.00 0.00 0.00 57.85 53.76 2f54 n ARG 66 Cb 0.57 -1.85 -0.11 0.00 0.00 0.00 0.00 32.46 31.07 2f54 n ARG 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2f54 h SER 67 N 5.11 0.36 -1.58 6.15 0.02 -1.96 -0.58 113.55 121.07 2f54 h SER 67 Ca 0.19 -0.75 -0.56 0.00 -0.84 0.00 0.00 61.79 59.83 2f54 h SER 67 Cb 0.83 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 2f54 h SER 67 CO 0.54 1.06 -0.49 0.42 -1.14 0.00 0.00 176.83 177.23 2f54 s THR 68 N -3.22 2.32 0.23 -2.27 -4.23 -1.26 -4.54 115.64 102.66 2f54 s THR 68 Ca -0.15 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2f54 s THR 68 Cb 0.02 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 2f54 s THR 68 CO 0.78 0.00 1.55 0.74 -0.54 0.00 0.00 174.62 177.15 2f54 h THR 69 N 1.40 1.37 0.17 3.99 2.02 -1.94 -3.36 112.91 116.55 2f54 h THR 69 Ca -0.43 -1.91 -0.22 0.00 0.77 0.00 0.00 66.41 64.62 2f54 h THR 69 Cb 1.25 1.93 0.03 0.00 -1.74 0.00 0.00 68.15 69.62 2f54 h THR 69 CO 0.69 0.57 -0.97 -0.33 0.37 0.00 0.00 175.52 175.86 2f54 h GLU 70 N 0.24 0.36 -6.05 6.66 3.07 -1.90 -3.45 114.58 113.50 2f54 h GLU 70 Ca -0.00 -0.61 -0.60 0.00 -0.50 0.00 0.00 59.36 57.65 2f54 h GLU 70 Cb 1.09 0.23 -0.05 0.00 -0.84 0.00 0.00 28.75 29.18 2f54 h GLU 70 CO 0.09 1.29 -0.26 -0.51 -1.40 0.00 0.00 179.01 178.23 2f54 s ASP 71 N -7.11 6.66 -0.40 1.42 -0.00 -1.26 -1.91 116.67 114.07 2f54 s ASP 71 Ca -0.13 0.80 0.08 0.00 -0.00 0.00 0.00 52.55 53.31 2f54 s ASP 71 Cb 0.02 -2.18 0.27 0.00 -0.00 0.00 0.00 42.92 41.02 2f54 s ASP 71 CO 0.86 0.23 0.65 0.33 -0.00 0.00 0.00 175.17 177.23 2f54 n PHE 72 N 1.19 -0.80 -1.81 4.23 7.35 0.09 -4.59 117.46 123.11 2f54 n PHE 72 Ca -0.10 -3.29 -0.41 0.00 -0.76 0.00 0.00 57.45 52.88 2f54 n PHE 72 Cb 0.52 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.34 2f54 n PHE 72 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f54 s PRO 73 N -1.11 4.14 -0.23 -7.13 0.04 -1.25 -4.27 135.00 125.19 2f54 s PRO 73 Ca 0.35 2.54 -0.05 0.00 0.04 0.00 0.00 61.00 63.88 2f54 s PRO 73 Cb 0.22 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2f54 s PRO 73 CO -0.12 -0.60 -0.00 -1.17 0.04 0.00 0.00 177.00 175.15 2f54 s LEU 74 N -0.58 3.09 -0.04 -3.56 2.96 -0.59 -3.46 118.68 116.51 2f54 s LEU 74 Ca 0.62 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2f54 s LEU 74 Cb -0.47 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2f54 s LEU 74 CO 0.48 -0.02 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.68 2f54 s ARG 75 N 1.49 2.37 -0.35 1.98 3.52 0.48 -1.18 118.95 127.26 2f54 s ARG 75 Ca 0.06 -0.83 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 2f54 s ARG 75 Cb -0.15 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.08 2f54 s ARG 75 CO -0.01 0.54 0.14 -0.51 -0.81 0.00 0.00 175.30 174.66 2f54 s LEU 76 N -0.55 4.49 0.02 -0.88 1.02 -0.21 0.14 118.68 122.71 2f54 s LEU 76 Ca 0.08 -1.15 -0.27 0.00 0.02 0.00 0.00 54.13 52.82 2f54 s LEU 76 Cb -0.11 -1.91 -0.15 0.00 0.02 0.00 0.00 46.19 44.04 2f54 s LEU 76 CO 0.00 -0.36 1.20 -0.07 0.02 0.00 0.00 176.35 177.14 2f54 h LEU 77 N 8.28 -0.81 -7.84 1.79 3.38 -1.84 -1.96 115.31 116.31 2f54 h LEU 77 Ca -0.24 0.03 -0.67 0.00 0.09 0.00 0.00 57.88 57.09 2f54 h LEU 77 Cb 1.09 0.21 -0.37 0.00 0.09 0.00 0.00 40.66 41.68 2f54 h LEU 77 CO 0.63 -0.49 -0.72 -0.55 0.09 0.00 0.00 178.44 177.40 2f54 s SER 78 N -4.05 4.75 0.43 -0.43 0.15 -1.26 -3.54 113.70 109.75 2f54 s SER 78 Ca -0.14 -1.69 -0.24 0.00 0.70 0.00 0.00 55.95 54.57 2f54 s SER 78 Cb 0.01 -1.65 -0.10 0.00 -1.71 0.00 0.00 66.02 62.58 2f54 s SER 78 CO 0.42 -0.31 1.08 0.00 1.20 0.00 0.00 173.24 175.63 2f54 n ALA 79 N 4.44 0.47 -2.77 5.45 0.00 0.78 -4.69 120.51 124.18 2f54 n ALA 79 Ca -0.07 0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2f54 n ALA 79 Cb 0.42 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 2f54 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f54 s ALA 80 N -1.26 0.78 0.49 0.00 0.00 -1.26 -1.37 121.76 119.14 2f54 s ALA 80 Ca 0.63 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 52.11 2f54 s ALA 80 Cb -0.54 -0.05 1.47 0.00 0.00 0.00 0.00 23.12 24.00 2f54 s ALA 80 CO 0.56 0.08 2.13 -1.35 0.00 0.00 0.00 175.76 177.18 2f54 h PRO 81 N 4.81 0.00 0.00 0.00 0.11 -1.92 -1.00 132.00 134.01 2f54 h PRO 81 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2f54 h PRO 81 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2f54 h PRO 81 CO 0.43 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 2f54 n SER 82 N -3.93 0.36 -0.65 -2.05 3.41 -1.26 -2.76 113.62 106.74 2f54 n SER 82 Ca -0.02 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2f54 n SER 82 Cb 0.17 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.72 2f54 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f54 n GLN 83 N -1.87 1.83 -2.05 4.33 6.02 -0.38 -4.82 117.38 120.45 2f54 n GLN 83 Ca 0.04 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 55.34 2f54 n GLN 83 Cb 0.27 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 2f54 n GLN 83 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2f54 s THR 84 N -1.61 3.64 -0.01 5.09 2.01 -1.11 -4.83 115.64 118.81 2f54 s THR 84 Ca 0.28 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.75 2f54 s THR 84 Cb 0.15 -3.53 0.11 0.00 0.01 0.00 0.00 72.50 69.24 2f54 s THR 84 CO 0.21 -0.11 1.28 -0.55 -0.69 0.00 0.00 174.62 174.76 2f54 s SER 85 N 3.53 -0.02 -0.23 3.53 0.15 -0.99 -5.01 113.70 114.67 2f54 s SER 85 Ca 0.72 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 2f54 s SER 85 Cb -0.31 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 2f54 s SER 85 CO 0.29 -0.32 0.20 -0.69 1.20 0.00 0.00 173.24 173.92 2f54 s VAL 86 N -2.20 5.34 -0.05 4.45 1.01 -1.13 -1.62 120.40 126.19 2f54 s VAL 86 Ca 0.22 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2f54 s VAL 86 Cb 0.02 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2f54 s VAL 86 CO -0.02 0.34 -0.04 -0.31 0.00 0.00 0.00 175.10 175.08 2f54 s TYR 87 N 0.98 3.02 -0.05 5.22 1.51 -0.37 -0.58 117.35 127.07 2f54 s TYR 87 Ca 0.10 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 2f54 s TYR 87 Cb -0.13 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2f54 s TYR 87 CO 0.04 0.40 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.69 2f54 s PHE 88 N -0.90 1.42 -0.09 2.71 0.08 -0.85 -1.70 117.98 118.65 2f54 s PHE 88 Ca 0.14 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 2f54 s PHE 88 Cb -0.11 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 2f54 s PHE 88 CO 0.04 -0.22 0.26 0.00 -0.10 0.00 0.00 175.22 175.21 2f54 s ALA 90 N -0.73 -0.05 0.31 0.00 0.00 0.19 0.31 121.76 121.80 2f54 s ALA 90 Ca 0.18 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.58 2f54 s ALA 90 Cb -0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 2f54 s ALA 90 CO 0.07 -0.11 0.00 -1.54 0.00 0.00 0.00 175.76 174.18 2f54 s SER 91 N 0.93 2.71 -0.05 0.00 1.04 0.35 0.81 113.70 119.49 2f54 s SER 91 Ca -0.08 -1.29 -0.31 0.00 0.48 0.00 0.00 55.95 54.75 2f54 s SER 91 Cb -0.11 -0.16 0.11 0.00 0.10 0.00 0.00 66.02 65.97 2f54 s SER 91 CO -0.03 -0.47 1.06 -0.94 0.98 0.00 0.00 173.24 173.84 2f54 s SER 92 N -3.49 -0.22 0.90 7.02 1.04 -0.09 -0.21 113.70 118.65 2f54 s SER 92 Ca 0.33 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 2f54 s SER 92 Cb 0.07 0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.60 2f54 s SER 92 CO 0.14 -0.48 1.10 -0.31 0.98 0.00 0.00 173.24 174.67 2f54 s TYR 93 N -2.80 2.13 -0.25 5.02 2.02 -1.26 -2.19 117.35 120.02 2f54 s TYR 93 Ca 0.09 1.43 0.14 0.00 -0.37 0.00 0.00 57.07 58.35 2f54 s TYR 93 Cb -0.00 -3.16 0.74 0.00 -0.40 0.00 0.00 41.96 39.14 2f54 s TYR 93 CO -0.05 -2.50 1.69 1.55 -1.57 0.00 0.00 175.55 174.67 2f54 n VAL 94 N -3.99 2.71 -2.25 0.71 3.14 -1.26 -4.68 118.33 112.72 2f54 n VAL 94 Ca 0.08 -1.59 0.00 0.00 -2.96 0.00 0.00 64.34 59.87 2f54 n VAL 94 Cb 0.54 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 2f54 n VAL 94 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2f54 n GLY 95 N 0.18 2.90 6.36 7.55 0.00 -1.26 -5.05 105.19 115.87 2f54 n GLY 95 Ca 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2f54 n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f54 n ASN 96 N -0.22 0.00 -0.32 1.61 6.94 -1.26 -1.68 115.26 120.33 2f54 n ASN 96 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 2f54 n ASN 96 Cb 0.00 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 37.69 2f54 n ASN 96 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f54 h THR 97 N 0.00 0.71 -2.01 5.53 2.02 -2.00 -3.46 112.91 113.70 2f54 h THR 97 Ca 0.00 -0.24 -0.21 0.00 0.77 0.00 0.00 66.41 66.74 2f54 h THR 97 Cb 0.00 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2f54 h THR 97 CO 0.00 0.13 -0.29 0.61 0.37 0.00 0.00 175.52 176.34 2f54 n GLY 98 N -1.33 0.01 3.73 2.16 0.00 -0.67 -4.99 105.19 104.10 2f54 n GLY 98 Ca 0.20 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2f54 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f54 s GLU 99 N -4.82 4.52 0.11 1.61 2.12 -1.26 -4.85 118.70 116.12 2f54 s GLU 99 Ca 0.08 1.80 -0.29 0.00 0.36 0.00 0.00 54.97 56.92 2f54 s GLU 99 Cb -0.03 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 2f54 s GLU 99 CO 0.10 -0.06 0.92 -0.51 -0.54 0.00 0.00 175.26 175.17 2f54 s LEU 100 N -0.04 4.50 -0.16 2.70 1.43 -1.26 -4.45 118.68 121.40 2f54 s LEU 100 Ca 0.53 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 2f54 s LEU 100 Cb -0.31 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.40 2f54 s LEU 100 CO 0.35 -0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.34 2f54 s PHE 101 N -0.11 2.74 0.03 0.29 0.40 0.71 -4.97 117.98 117.07 2f54 s PHE 101 Ca 0.45 -1.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.36 2f54 s PHE 101 Cb -0.23 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2f54 s PHE 101 CO 0.29 -0.67 0.15 -0.06 0.70 0.00 0.00 175.22 175.62 2f54 s PHE 102 N 1.03 3.42 1.05 0.36 0.40 -1.26 -0.50 117.98 122.48 2f54 s PHE 102 Ca -0.01 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.38 2f54 s PHE 102 Cb -0.14 -1.75 0.24 0.00 0.51 0.00 0.00 43.02 41.87 2f54 s PHE 102 CO -0.06 0.59 1.27 0.20 0.70 0.00 0.00 175.22 177.92 2f54 s GLY 103 N -2.14 1.74 0.14 4.36 0.00 0.15 -4.71 107.32 106.86 2f54 s GLY 103 Ca 0.29 -1.19 -0.15 0.00 0.00 0.00 0.00 44.72 43.67 2f54 s GLY 103 CO 0.21 -0.36 1.68 0.83 0.00 0.00 0.00 173.10 175.46 2f54 h GLU 104 N -1.98 0.67 0.00 2.90 4.39 -1.89 -3.45 114.58 115.21 2f54 h GLU 104 Ca -0.44 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.13 2f54 h GLU 104 Cb 1.24 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2f54 h GLU 104 CO 0.34 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 179.22 2f54 n GLY 105 N -0.74 3.59 2.69 -3.84 0.00 -1.26 -5.08 105.19 100.55 2f54 n GLY 105 Ca 0.01 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 2f54 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f54 s SER 106 N 0.00 2.06 -0.30 1.61 0.01 -0.69 -4.42 113.70 111.97 2f54 s SER 106 Ca 0.00 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 2f54 s SER 106 Cb 0.00 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2f54 s SER 106 CO 0.00 -0.28 0.61 -0.13 0.41 0.00 0.00 173.24 173.84 2f54 s ARG 107 N 2.04 3.90 -0.06 12.44 3.00 0.96 -1.24 118.95 140.00 2f54 s ARG 107 Ca 0.03 0.27 0.03 0.00 0.00 0.00 0.00 55.73 56.06 2f54 s ARG 107 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 34.95 31.06 2f54 s ARG 107 CO -0.07 -0.55 -0.14 -1.17 0.00 0.00 0.00 175.30 173.38 2f54 s LEU 108 N 2.55 2.77 -0.15 2.53 2.96 -0.64 -1.45 118.68 127.26 2f54 s LEU 108 Ca 0.24 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2f54 s LEU 108 Cb -0.15 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.02 2f54 s LEU 108 CO 0.11 0.33 0.04 -0.89 -1.32 0.00 0.00 176.35 174.63 2f54 s THR 109 N -0.64 0.31 -0.21 3.68 2.01 -0.72 -2.33 115.64 117.74 2f54 s THR 109 Ca 0.10 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2f54 s THR 109 Cb -0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2f54 s THR 109 CO 0.01 -0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.24 2f54 s VAL 110 N 1.97 4.72 0.31 3.82 1.01 -1.26 -1.25 120.40 129.72 2f54 s VAL 110 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2f54 s VAL 110 Cb -0.15 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 2f54 s VAL 110 CO -0.07 0.41 -0.04 -0.76 0.00 0.00 0.00 175.10 174.63 2f54 s LEU 111 N 0.84 2.53 -0.01 3.92 1.02 0.62 -4.49 118.68 123.11 2f54 s LEU 111 Ca 0.04 -1.24 0.21 0.00 0.02 0.00 0.00 54.13 53.16 2f54 s LEU 111 Cb -0.14 -0.70 -0.26 0.00 0.02 0.00 0.00 46.19 45.12 2f54 s LEU 111 CO 0.02 -0.36 0.75 -0.62 0.02 0.00 0.00 176.35 176.17 2f54 n GLU 112 N -0.68 0.32 -3.66 1.70 1.02 -1.26 -0.50 120.64 117.57 2f54 n GLU 112 Ca -0.05 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 2f54 n GLU 112 Cb 0.64 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.43 2f54 n GLU 112 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2f54 s ASP 113 N -3.40 0.56 0.00 1.62 2.15 -1.26 -4.75 116.67 111.60 2f54 s ASP 113 Ca 0.03 0.46 0.07 0.00 0.43 0.00 0.00 52.55 53.54 2f54 s ASP 113 Cb 0.15 0.48 0.44 0.00 -0.30 0.00 0.00 42.92 43.69 2f54 s ASP 113 CO 0.86 -0.24 1.24 0.18 -0.17 0.00 0.00 175.17 177.03 2f54 n LEU 114 N 5.34 0.00 0.06 -1.34 4.77 -1.26 -3.56 117.00 121.01 2f54 n LEU 114 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2f54 n LEU 114 Cb 0.50 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.07 2f54 n LEU 114 CO 0.04 0.00 0.88 2.29 -1.33 0.00 0.00 177.39 179.27 2f54 n LYS 115 N -0.62 0.12 -0.08 3.23 2.85 -1.26 -2.75 118.16 119.65 2f54 n LYS 115 Ca 0.05 0.18 0.10 0.00 -1.05 0.00 0.00 58.31 57.60 2f54 n LYS 115 Cb 0.03 -1.66 0.37 0.00 -0.65 0.00 0.00 35.03 33.11 2f54 n LYS 115 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2f54 n ASN 116 N -1.88 1.68 -4.59 -5.58 5.03 -1.23 -4.80 115.26 103.89 2f54 n ASN 116 Ca 0.05 -1.72 -0.41 0.00 0.87 0.00 0.00 54.58 53.38 2f54 n ASN 116 Cb 0.33 -0.11 -0.08 0.00 -1.02 0.00 0.00 39.78 38.90 2f54 n ASN 116 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2f54 s VAL 117 N -1.78 5.04 0.08 2.41 1.01 -1.11 -4.69 120.40 121.36 2f54 s VAL 117 Ca 0.32 0.64 0.08 0.00 0.00 0.00 0.00 61.98 63.02 2f54 s VAL 117 Cb 0.17 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2f54 s VAL 117 CO 0.26 -0.06 -0.21 -0.36 0.00 0.00 0.00 175.10 174.73 2f54 s PHE 118 N 2.37 1.80 0.75 5.22 0.08 -0.60 -4.69 117.98 122.91 2f54 s PHE 118 Ca 0.20 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 2f54 s PHE 118 Cb -0.15 -1.02 0.06 0.00 -0.57 0.00 0.00 43.02 41.34 2f54 s PHE 118 CO 0.11 0.17 1.10 -1.25 -0.10 0.00 0.00 175.22 175.25 2f54 s PRO 119 N -1.66 2.19 0.52 0.24 0.04 -1.26 -1.35 135.00 133.73 2f54 s PRO 119 Ca 0.07 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.08 2f54 s PRO 119 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2f54 s PRO 119 CO 0.03 -1.37 0.81 -1.25 0.04 0.00 0.00 177.00 175.27 2f54 s PRO 120 N -5.41 3.16 -0.08 0.56 0.04 -1.26 -4.08 135.00 127.92 2f54 s PRO 120 Ca 0.60 -0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2f54 s PRO 120 Cb -0.11 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2f54 s PRO 120 CO 0.48 -0.44 -0.10 -1.21 0.04 0.00 0.00 177.00 175.77 2f54 s GLU 121 N -4.81 2.90 -0.07 4.56 2.02 0.12 -4.91 118.70 118.51 2f54 s GLU 121 Ca 0.50 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.92 2f54 s GLU 121 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2f54 s GLU 121 CO 0.43 0.52 -0.18 0.08 0.02 0.00 0.00 175.26 176.13 2f54 s VAL 122 N -0.43 1.54 0.01 2.63 1.01 -1.26 -0.08 120.40 123.82 2f54 s VAL 122 Ca 0.06 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2f54 s VAL 122 Cb -0.12 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2f54 s VAL 122 CO 0.02 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 2f54 s ALA 123 N 0.29 0.40 -0.11 5.51 0.00 -0.62 -4.46 121.76 122.77 2f54 s ALA 123 Ca -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 2f54 s ALA 123 Cb -0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2f54 s ALA 123 CO 0.04 0.06 -0.04 0.08 0.00 0.00 0.00 175.76 175.90 2f54 s VAL 124 N -0.42 3.88 -0.17 0.00 1.01 -1.26 -0.84 120.40 122.60 2f54 s VAL 124 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2f54 s VAL 124 Cb -0.04 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2f54 s VAL 124 CO -0.00 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.21 2f54 s PHE 125 N -0.25 2.90 0.37 5.22 0.40 0.88 -4.97 117.98 122.54 2f54 s PHE 125 Ca 0.04 -0.76 -0.25 0.00 -0.60 0.00 0.00 56.93 55.36 2f54 s PHE 125 Cb -0.13 -1.98 -0.09 0.00 0.51 0.00 0.00 43.02 41.33 2f54 s PHE 125 CO 0.02 -0.36 1.01 -1.21 0.70 0.00 0.00 175.22 175.38 2f54 s GLU 126 N 0.88 4.33 0.56 0.44 2.02 -1.26 -2.11 118.70 123.56 2f54 s GLU 126 Ca -0.02 1.43 -0.20 0.00 0.02 0.00 0.00 54.97 56.19 2f54 s GLU 126 Cb -0.15 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 2f54 s GLU 126 CO 0.01 0.03 1.12 -2.30 0.02 0.00 0.00 175.26 174.13 2f54 n PRO 127 N 0.15 1.22 -2.50 0.39 -0.02 -1.23 -4.94 135.00 128.06 2f54 n PRO 127 Ca 0.04 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 2f54 n PRO 127 Cb 0.50 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2f54 n PRO 127 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2f54 s SER 128 N -1.08 6.73 0.26 2.55 0.01 -1.26 -4.93 113.70 115.97 2f54 s SER 128 Ca 0.73 2.10 -0.05 0.00 1.31 0.00 0.00 55.95 60.04 2f54 s SER 128 Cb -0.43 -2.59 0.31 0.00 0.21 0.00 0.00 66.02 63.51 2f54 s SER 128 CO 0.49 -0.51 1.89 -0.08 0.41 0.00 0.00 173.24 175.43 2f54 h GLU 129 N 2.57 1.17 0.15 12.44 4.81 -1.97 -1.31 114.58 132.43 2f54 h GLU 129 Ca -0.48 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2f54 h GLU 129 Cb 1.22 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 2f54 h GLU 129 CO 0.62 0.84 -0.26 0.00 -0.73 0.00 0.00 179.01 179.48 2f54 h ALA 130 N 1.35 -0.46 -0.91 2.92 0.00 -2.00 -2.01 119.26 118.15 2f54 h ALA 130 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2f54 h ALA 130 Cb -0.00 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2f54 h ALA 130 CO -0.05 -0.80 0.58 1.49 0.00 0.00 0.00 179.25 180.47 2f54 h GLU 131 N -0.49 1.22 -0.43 0.00 4.81 -1.84 -1.31 114.58 116.55 2f54 h GLU 131 Ca 0.02 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2f54 h GLU 131 Cb 0.50 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2f54 h GLU 131 CO -0.13 0.83 0.19 0.82 -0.73 0.00 0.00 179.01 179.98 2f54 h ILE 132 N 1.25 1.15 0.02 2.32 2.04 -0.89 -0.95 117.51 122.46 2f54 h ILE 132 Ca 0.33 -0.46 -0.31 0.00 1.00 0.00 0.00 64.86 65.42 2f54 h ILE 132 Cb -0.11 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 2f54 h ILE 132 CO -0.07 0.18 -1.83 -1.54 0.00 0.00 0.00 178.15 174.89 2f54 n SER 133 N -4.39 0.99 0.14 1.72 3.41 -0.79 -2.27 113.62 112.44 2f54 n SER 133 Ca 0.03 0.34 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2f54 n SER 133 Cb 0.13 -0.08 0.35 0.00 -0.26 0.00 0.00 64.21 64.35 2f54 n SER 133 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2f54 h HIS 134 N 0.01 0.00 0.00 7.33 -0.00 -1.16 -3.38 115.15 117.95 2f54 h HIS 134 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2f54 h HIS 134 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.45 2f54 h HIS 134 CO 0.01 0.00 -0.04 2.41 -0.00 0.00 0.00 177.93 180.31 2f54 n THR 135 N -2.49 0.00 -2.63 6.26 -1.04 -0.37 -5.02 114.28 108.99 2f54 n THR 135 Ca 0.05 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.84 2f54 n THR 135 Cb 0.45 0.36 0.01 0.00 -1.82 0.00 0.00 70.33 69.33 2f54 n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f54 n GLN 136 N -0.08 -2.87 -4.25 -2.82 6.02 -0.96 -4.96 117.38 107.44 2f54 n GLN 136 Ca 0.00 0.96 -0.14 0.00 -0.01 0.00 0.00 57.00 57.81 2f54 n GLN 136 Cb 0.00 -5.70 -0.10 0.00 1.02 0.00 0.00 30.24 25.46 2f54 n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2f54 s LYS 137 N -5.29 1.21 -0.13 -1.09 1.02 -1.26 -1.04 119.74 113.16 2f54 s LYS 137 Ca 0.11 -1.62 -0.04 0.00 0.02 0.00 0.00 55.97 54.44 2f54 s LYS 137 Cb -0.05 -0.16 0.06 0.00 -0.52 0.00 0.00 37.83 37.17 2f54 s LYS 137 CO 0.14 -0.23 0.23 0.00 -0.92 0.00 0.00 175.35 174.56 2f54 s ALA 138 N -3.79 -0.39 -0.26 5.17 0.00 -0.26 -3.58 121.76 118.64 2f54 s ALA 138 Ca 0.31 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 2f54 s ALA 138 Cb 0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2f54 s ALA 138 CO 0.08 -0.72 0.15 0.99 0.00 0.00 0.00 175.76 176.27 2f54 s THR 139 N 2.37 5.09 -0.15 0.00 2.01 -1.26 -1.37 115.64 122.32 2f54 s THR 139 Ca 0.03 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 2f54 s THR 139 Cb -0.13 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2f54 s THR 139 CO -0.08 0.30 0.19 -0.76 -0.69 0.00 0.00 174.62 173.57 2f54 s LEU 140 N 1.52 4.29 -0.09 4.42 1.02 0.13 -3.54 118.68 126.42 2f54 s LEU 140 Ca 0.07 0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.66 2f54 s LEU 140 Cb -0.15 -2.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.87 2f54 s LEU 140 CO 0.08 0.24 -0.19 0.68 0.02 0.00 0.00 176.35 177.17 2f54 s VAL 141 N -0.13 2.52 -0.11 -1.59 -7.23 -0.90 -0.20 120.40 112.78 2f54 s VAL 141 Ca 0.13 -0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 2f54 s VAL 141 Cb -0.12 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2f54 s VAL 141 CO 0.02 0.56 0.07 0.00 -0.31 0.00 0.00 175.10 175.43 2f54 s LEU 143 N -0.85 2.06 -0.23 0.00 2.96 -0.02 -1.82 118.68 120.78 2f54 s LEU 143 Ca 0.13 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 2f54 s LEU 143 Cb -0.12 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2f54 s LEU 143 CO 0.03 -0.27 0.16 0.00 -1.32 0.00 0.00 176.35 174.95 2f54 s ALA 144 N 1.57 3.63 0.02 5.97 0.00 -0.20 -1.59 121.76 131.17 2f54 s ALA 144 Ca -0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2f54 s ALA 144 Cb -0.18 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 2f54 s ALA 144 CO -0.07 -0.12 0.09 0.95 0.00 0.00 0.00 175.76 176.60 2f54 s THR 145 N 0.91 0.11 -0.62 0.00 -4.23 0.89 -0.20 115.64 112.51 2f54 s THR 145 Ca 0.08 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2f54 s THR 145 Cb -0.13 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.06 2f54 s THR 145 CO 0.03 -0.52 0.24 0.61 -0.54 0.00 0.00 174.62 174.44 2f54 n GLY 146 N 1.12 0.20 3.60 3.99 0.00 -0.79 -0.70 105.19 112.61 2f54 n GLY 146 Ca -0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2f54 n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f54 s PHE 147 N -2.78 2.78 -0.28 1.61 -0.71 -1.05 -4.45 117.98 113.10 2f54 s PHE 147 Ca 0.12 -0.14 -0.20 0.00 -1.04 0.00 0.00 56.93 55.67 2f54 s PHE 147 Cb -0.05 -1.43 0.08 0.00 -1.21 0.00 0.00 43.02 40.40 2f54 s PHE 147 CO 0.15 0.45 0.71 -0.47 -1.34 0.00 0.00 175.22 174.72 2f54 s TYR 148 N -1.33 -0.93 0.96 3.49 5.04 -0.45 0.20 117.35 124.33 2f54 s TYR 148 Ca 0.23 2.02 -0.15 0.00 -2.44 0.00 0.00 57.07 56.73 2f54 s TYR 148 Cb -0.11 0.46 0.20 0.00 0.35 0.00 0.00 41.96 42.86 2f54 s TYR 148 CO 0.15 -0.45 1.31 -1.25 -1.34 0.00 0.00 175.55 173.97 2f54 s PRO 149 N 1.03 0.64 0.00 4.97 0.04 -1.26 -1.56 135.00 138.87 2f54 s PRO 149 Ca -0.05 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2f54 s PRO 149 Cb -0.05 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2f54 s PRO 149 CO -0.10 -2.40 0.00 -3.47 0.04 0.00 0.00 177.00 171.07 2f54 n ASP 150 N -3.74 0.00 -4.27 6.66 4.64 -1.26 -4.59 116.55 113.99 2f54 n ASP 150 Ca 0.15 0.00 -0.44 0.00 -1.38 0.00 0.00 54.79 53.13 2f54 n ASP 150 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2f54 n ASP 150 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2f54 n HIS 151 N 0.72 4.33 -4.05 -0.67 8.25 -1.26 -4.96 115.22 117.57 2f54 n HIS 151 Ca 0.00 -3.21 -0.08 0.00 -0.26 0.00 0.00 57.72 54.16 2f54 n HIS 151 Cb 0.00 -2.06 -0.10 0.00 1.12 0.00 0.00 29.99 28.95 2f54 n HIS 151 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2f54 s VAL 152 N 0.87 0.23 -0.13 1.59 -7.23 -1.26 -1.58 120.40 112.89 2f54 s VAL 152 Ca 0.41 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2f54 s VAL 152 Cb 0.00 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 36.00 2f54 s VAL 152 CO 0.00 -0.75 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.35 2f54 s GLU 153 N -2.78 1.59 -0.10 4.82 2.02 -0.20 -4.97 118.70 119.07 2f54 s GLU 153 Ca -0.03 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2f54 s GLU 153 Cb -0.01 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 2f54 s GLU 153 CO -0.05 -0.30 -0.09 -1.17 0.02 0.00 0.00 175.26 173.67 2f54 s LEU 154 N 1.67 2.99 0.13 1.80 0.20 -1.26 0.17 118.68 124.37 2f54 s LEU 154 Ca 0.04 -0.16 -0.10 0.00 0.69 0.00 0.00 54.13 54.60 2f54 s LEU 154 Cb -0.13 -1.66 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2f54 s LEU 154 CO -0.08 0.27 0.26 -0.94 -0.29 0.00 0.00 176.35 175.56 2f54 s SER 155 N -0.24 0.04 0.04 3.68 1.04 0.34 -5.00 113.70 113.60 2f54 s SER 155 Ca 0.02 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.82 2f54 s SER 155 Cb -0.13 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2f54 s SER 155 CO 0.03 -0.82 -0.15 0.26 0.98 0.00 0.00 173.24 173.54 2f54 s TRP 156 N -3.90 2.64 0.01 5.02 0.52 -1.26 0.26 118.94 122.24 2f54 s TRP 156 Ca 0.10 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.07 2f54 s TRP 156 Cb 0.04 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 2f54 s TRP 156 CO -0.07 0.30 -0.17 -1.58 0.02 0.00 0.00 176.95 175.45 2f54 s TRP 157 N -0.97 1.48 -0.09 -1.98 0.51 0.84 -0.74 118.94 117.98 2f54 s TRP 157 Ca 0.16 -0.31 -0.02 0.00 -2.12 0.00 0.00 56.10 53.81 2f54 s TRP 157 Cb -0.11 -0.92 0.03 0.00 -0.81 0.00 0.00 33.47 31.67 2f54 s TRP 157 CO 0.07 0.01 0.00 0.08 -0.51 0.00 0.00 176.95 176.60 2f54 s VAL 158 N -0.57 0.43 -1.54 4.03 1.01 -0.62 -0.98 120.40 122.17 2f54 s VAL 158 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2f54 s VAL 158 Cb -0.07 -0.64 0.09 0.00 0.00 0.00 0.00 36.38 35.76 2f54 s VAL 158 CO 0.00 0.19 0.89 0.59 0.00 0.00 0.00 175.10 176.76 2f54 n ASN 159 N 5.12 -4.53 0.00 3.32 3.02 -0.32 -2.07 115.26 119.80 2f54 n ASN 159 Ca -0.08 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 2f54 n ASN 159 Cb 0.50 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 2f54 n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f54 n GLY 160 N -1.58 1.96 3.46 7.41 0.00 -1.26 -5.03 105.19 110.14 2f54 n GLY 160 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2f54 n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f54 s LYS 161 N -0.33 2.91 0.33 1.61 1.02 -0.88 -5.07 119.74 119.32 2f54 s LYS 161 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 2f54 s LYS 161 Cb 0.00 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 2f54 s LYS 161 CO 0.00 0.46 1.38 -2.00 -0.92 0.00 0.00 175.35 174.27 2f54 s GLU 162 N -0.30 4.28 0.23 1.68 2.12 -1.26 -1.59 118.70 123.84 2f54 s GLU 162 Ca 0.03 2.32 0.11 0.00 0.36 0.00 0.00 54.97 57.79 2f54 s GLU 162 Cb -0.13 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2f54 s GLU 162 CO 0.03 -0.32 -0.17 0.54 -0.54 0.00 0.00 175.26 174.80 2f54 s VAL 163 N -0.91 2.71 0.00 3.70 0.11 0.08 -4.91 120.40 121.18 2f54 s VAL 163 Ca 0.52 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 2f54 s VAL 163 Cb -0.42 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.07 2f54 s VAL 163 CO 0.54 -0.23 0.00 1.41 -3.33 0.00 0.00 175.10 173.48 2f54 n HIS 164 N -0.19 0.00 -1.69 1.54 8.25 -1.26 -4.45 115.22 117.42 2f54 n HIS 164 Ca -0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.98 2f54 n HIS 164 Cb 0.57 0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.90 2f54 n HIS 164 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2f54 n SER 165 N -2.44 1.97 -1.64 0.41 2.88 -1.26 -2.38 113.62 111.16 2f54 n SER 165 Ca 0.00 0.96 -0.17 0.00 -1.33 0.00 0.00 58.87 58.33 2f54 n SER 165 Cb 0.22 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.16 2f54 n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f54 n GLY 166 N 0.96 0.59 3.47 0.46 0.00 -1.26 -4.82 105.19 104.59 2f54 n GLY 166 Ca 0.11 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2f54 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f54 s VAL 167 N -2.75 2.69 -0.30 1.61 1.01 -1.00 -1.02 120.40 120.64 2f54 s VAL 167 Ca 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 61.98 60.21 2f54 s VAL 167 Cb 0.00 -2.25 0.15 0.00 0.00 0.00 0.00 36.38 34.28 2f54 s VAL 167 CO 0.00 0.02 0.72 0.00 0.00 0.00 0.00 175.10 175.84 2f54 s THR 169 N 2.81 4.42 0.16 0.00 2.01 -1.26 -2.14 115.64 121.64 2f54 s THR 169 Ca -0.00 -0.41 -0.34 0.00 0.31 0.00 0.00 61.69 61.25 2f54 s THR 169 Cb -0.11 -2.95 -0.15 0.00 0.01 0.00 0.00 72.50 69.30 2f54 s THR 169 CO -0.19 0.45 1.35 0.47 -0.69 0.00 0.00 174.62 176.01 2f54 n ASP 170 N 1.58 2.09 0.04 3.53 8.00 -0.89 -4.80 116.55 126.10 2f54 n ASP 170 Ca -0.16 1.12 0.07 0.00 0.71 0.00 0.00 54.79 56.53 2f54 n ASP 170 Cb 0.53 -1.30 0.30 0.00 -0.02 0.00 0.00 41.12 40.63 2f54 n ASP 170 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2f54 n PRO 171 N 2.38 0.05 -3.54 -0.24 -0.04 -1.26 -4.70 135.00 127.66 2f54 n PRO 171 Ca 0.16 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2f54 n PRO 171 Cb 0.25 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 2f54 n PRO 171 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2f54 s GLN 172 N -3.10 0.85 0.65 0.54 0.74 -1.26 -5.18 119.66 112.90 2f54 s GLN 172 Ca 0.04 0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.53 2f54 s GLN 172 Cb 0.07 0.40 0.08 0.00 1.10 0.00 0.00 33.01 34.65 2f54 s GLN 172 CO 0.23 -0.29 0.92 -1.25 -0.55 0.00 0.00 175.29 174.35 2f54 s PRO 173 N -1.54 2.12 0.09 1.67 0.04 -1.26 -4.97 135.00 131.14 2f54 s PRO 173 Ca -0.04 -0.77 0.08 0.00 0.04 0.00 0.00 61.00 60.31 2f54 s PRO 173 Cb -0.00 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2f54 s PRO 173 CO 0.03 -1.13 -0.15 -0.48 0.04 0.00 0.00 177.00 175.31 2f54 s LEU 174 N -5.03 2.83 -0.14 -3.56 0.05 -0.53 -4.94 118.68 107.36 2f54 s LEU 174 Ca 0.61 -0.45 -0.29 0.00 0.05 0.00 0.00 54.13 54.05 2f54 s LEU 174 Cb -0.09 -1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 42.39 2f54 s LEU 174 CO 0.42 0.20 1.04 -0.54 -0.55 0.00 0.00 176.35 176.92 2f54 s LYS 175 N -2.00 4.36 0.55 1.48 1.02 -1.26 -0.53 119.74 123.36 2f54 s LYS 175 Ca 0.19 1.41 0.22 0.00 0.02 0.00 0.00 55.97 57.81 2f54 s LYS 175 Cb -0.11 -3.58 1.48 0.00 -0.52 0.00 0.00 37.83 35.10 2f54 s LYS 175 CO 0.10 -0.43 2.15 0.93 -0.92 0.00 0.00 175.35 177.18 2f54 h GLU 176 N 7.26 0.00 -2.55 1.68 5.08 -0.94 -3.29 114.58 121.82 2f54 h GLU 176 Ca -0.27 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.50 2f54 h GLU 176 Cb 1.12 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.98 2f54 h GLU 176 CO 0.90 0.00 -0.88 -0.65 -1.00 0.00 0.00 179.01 177.38 2f54 s GLN 177 N -4.89 0.80 0.55 2.33 -0.21 -1.26 -5.02 119.66 111.96 2f54 s GLN 177 Ca -0.05 -1.75 0.26 0.00 0.02 0.00 0.00 55.36 53.84 2f54 s GLN 177 Cb 0.17 -1.49 1.45 0.00 1.00 0.00 0.00 33.01 34.13 2f54 s GLN 177 CO 0.63 -1.28 2.02 -1.35 -2.12 0.00 0.00 175.29 173.19 2f54 h PRO 178 N 6.41 0.00 -0.07 2.91 0.11 -1.96 -1.81 132.00 137.59 2f54 h PRO 178 Ca 0.14 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 2f54 h PRO 178 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2f54 h PRO 178 CO 0.34 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 177.87 2f54 h ALA 179 N 1.74 1.45 -2.70 -0.75 0.00 -1.95 -3.43 119.26 113.62 2f54 h ALA 179 Ca 0.19 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 2f54 h ALA 179 Cb 0.82 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2f54 h ALA 179 CO -0.00 0.40 0.14 -0.51 0.00 0.00 0.00 179.25 179.27 2f54 s LEU 180 N -8.50 4.51 -0.01 0.00 1.43 -0.68 -4.96 118.68 110.47 2f54 s LEU 180 Ca -0.04 1.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 2f54 s LEU 180 Cb 0.15 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 43.21 2f54 s LEU 180 CO 0.73 0.12 0.71 -0.46 0.23 0.00 0.00 176.35 177.68 2f54 n ASN 181 N 2.24 0.97 -2.69 2.29 2.04 -1.26 -3.28 115.26 115.56 2f54 n ASN 181 Ca -0.05 -2.04 -0.03 0.00 -0.44 0.00 0.00 54.58 52.02 2f54 n ASN 181 Cb 0.50 -0.37 0.12 0.00 -2.53 0.00 0.00 39.78 37.50 2f54 n ASN 181 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2f54 n ASP 182 N -0.09 -1.33 -4.77 0.53 5.68 -1.26 -5.14 116.55 110.18 2f54 n ASP 182 Ca 0.02 -2.28 -0.33 0.00 -0.50 0.00 0.00 54.79 51.69 2f54 n ASP 182 Cb 0.23 0.68 0.05 0.00 -1.14 0.00 0.00 41.12 40.93 2f54 n ASP 182 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2f54 s SER 183 N -1.36 5.02 0.22 -1.12 0.15 -1.21 -5.01 113.70 110.40 2f54 s SER 183 Ca 0.14 2.00 -0.22 0.00 0.70 0.00 0.00 55.95 58.57 2f54 s SER 183 Cb 0.43 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 62.11 2f54 s SER 183 CO -0.11 -1.69 0.76 -0.13 1.20 0.00 0.00 173.24 173.28 2f54 s ARG 184 N -4.15 4.37 0.45 5.44 0.52 -1.26 -4.84 118.95 119.47 2f54 s ARG 184 Ca 0.67 1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 56.85 2f54 s ARG 184 Cb -0.21 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 2f54 s ARG 184 CO 0.43 0.42 0.71 0.71 0.02 0.00 0.00 175.30 177.59 2f54 s TYR 185 N -1.44 3.49 0.00 -0.53 2.02 0.13 -0.28 117.35 120.74 2f54 s TYR 185 Ca 0.42 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.75 2f54 s TYR 185 Cb -0.18 -2.21 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 2f54 s TYR 185 CO 0.23 -0.21 -0.09 0.00 -1.57 0.00 0.00 175.55 173.91 2f54 s ALA 186 N -2.62 0.72 0.01 3.71 0.00 0.31 -1.89 121.76 122.01 2f54 s ALA 186 Ca 0.46 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2f54 s ALA 186 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2f54 s ALA 186 CO 0.42 0.15 0.02 -1.17 0.00 0.00 0.00 175.76 175.18 2f54 s LEU 187 N -0.43 1.99 0.05 0.00 2.96 0.72 -1.45 118.68 122.53 2f54 s LEU 187 Ca 0.02 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2f54 s LEU 187 Cb -0.04 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.86 2f54 s LEU 187 CO -0.00 -0.25 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.71 2f54 s SER 188 N -1.09 1.48 0.04 3.68 1.04 -1.26 -1.03 113.70 116.56 2f54 s SER 188 Ca -0.12 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 2f54 s SER 188 Cb -0.07 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 2f54 s SER 188 CO -0.00 -0.06 0.14 -0.55 0.98 0.00 0.00 173.24 173.75 2f54 s SER 189 N -1.49 0.11 0.09 7.02 0.15 -0.75 -2.09 113.70 116.75 2f54 s SER 189 Ca -0.02 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.25 2f54 s SER 189 Cb -0.09 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2f54 s SER 189 CO 0.02 -0.54 -0.22 -0.13 1.20 0.00 0.00 173.24 173.57 2f54 s ARG 190 N -2.64 1.22 -0.12 5.44 3.00 -0.91 -0.79 118.95 124.15 2f54 s ARG 190 Ca -0.05 -1.13 -0.01 0.00 0.00 0.00 0.00 55.73 54.54 2f54 s ARG 190 Cb -0.01 -1.47 0.04 0.00 0.00 0.00 0.00 34.95 33.50 2f54 s ARG 190 CO -0.04 0.35 -0.01 -1.17 0.00 0.00 0.00 175.30 174.43 2f54 s LEU 191 N -1.74 0.96 -0.17 2.53 2.96 0.73 -2.58 118.68 121.35 2f54 s LEU 191 Ca 0.07 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2f54 s LEU 191 Cb -0.10 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2f54 s LEU 191 CO 0.04 -0.21 0.02 -0.13 -1.32 0.00 0.00 176.35 174.74 2f54 s ARG 192 N 1.86 3.82 0.45 1.98 1.81 -0.19 0.18 118.95 128.86 2f54 s ARG 192 Ca 0.03 -0.43 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2f54 s ARG 192 Cb -0.14 -3.08 -0.02 0.00 -0.45 0.00 0.00 34.95 31.26 2f54 s ARG 192 CO -0.07 0.23 0.08 0.14 -0.68 0.00 0.00 175.30 175.01 2f54 s VAL 193 N 0.44 0.83 0.28 3.52 -7.23 -0.47 -4.72 120.40 113.05 2f54 s VAL 193 Ca -0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2f54 s VAL 193 Cb -0.13 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 2f54 s VAL 193 CO 0.02 0.00 0.71 -0.94 -0.31 0.00 0.00 175.10 174.58 2f54 s SER 194 N -3.71 6.83 0.18 4.85 1.04 -1.26 -1.11 113.70 120.53 2f54 s SER 194 Ca 0.17 1.28 -0.20 0.00 0.48 0.00 0.00 55.95 57.68 2f54 s SER 194 Cb 0.02 -2.37 0.11 0.00 0.10 0.00 0.00 66.02 63.89 2f54 s SER 194 CO 0.10 -0.13 1.60 0.00 0.98 0.00 0.00 173.24 175.80 2f54 h ALA 195 N 2.61 -0.02 -0.58 5.32 0.00 -1.31 0.41 119.26 125.70 2f54 h ALA 195 Ca -0.48 0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.74 2f54 h ALA 195 Cb 1.18 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 2f54 h ALA 195 CO 0.66 -0.65 0.41 0.00 0.00 0.00 0.00 179.25 179.67 2f54 h THR 196 N -0.17 0.73 0.09 0.00 1.03 -1.93 -0.66 112.91 112.00 2f54 h THR 196 Ca 0.22 -0.02 -0.29 0.00 -0.01 0.00 0.00 66.41 66.31 2f54 h THR 196 Cb 0.53 0.67 0.03 0.00 -1.07 0.00 0.00 68.15 68.31 2f54 h THR 196 CO -0.61 0.01 -1.19 0.15 -0.01 0.00 0.00 175.52 173.88 2f54 h PHE 197 N 0.06 0.98 -0.13 0.00 3.57 -1.33 -3.19 116.94 116.90 2f54 h PHE 197 Ca 0.28 -0.60 -0.10 0.00 3.53 0.00 0.00 57.97 61.08 2f54 h PHE 197 Cb 1.02 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2f54 h PHE 197 CO -0.00 1.44 -0.36 2.35 -2.23 0.00 0.00 178.31 179.50 2f54 h TRP 198 N 0.30 0.31 0.00 0.41 2.91 -0.47 -2.96 115.95 116.45 2f54 h TRP 198 Ca -0.17 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.78 2f54 h TRP 198 Cb 1.85 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 30.43 2f54 h TRP 198 CO 0.11 0.60 0.00 1.04 -1.03 0.00 0.00 178.44 179.16 2f54 n GLN 199 N -4.06 0.00 -2.79 2.65 6.02 -0.36 -1.65 117.38 117.19 2f54 n GLN 199 Ca -0.01 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 2f54 n GLN 199 Cb 0.45 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 2f54 n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2f54 s ASP 200 N -3.00 6.69 0.61 1.08 2.15 -1.12 -2.69 116.67 120.38 2f54 s ASP 200 Ca 0.11 0.60 0.37 0.00 0.43 0.00 0.00 52.55 54.06 2f54 s ASP 200 Cb 0.15 -2.47 1.95 0.00 -0.30 0.00 0.00 42.92 42.25 2f54 s ASP 200 CO 0.42 -0.87 2.23 -0.65 -0.17 0.00 0.00 175.17 176.12 2f54 h PRO 201 N 8.48 0.00 0.00 4.34 0.11 -1.82 -2.45 132.00 140.66 2f54 h PRO 201 Ca -0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2f54 h PRO 201 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2f54 h PRO 201 CO 0.99 0.03 -0.22 0.00 -0.21 0.00 0.00 178.00 178.58 2f54 h ARG 202 N 0.00 0.00 -6.31 1.05 3.08 -1.92 -3.33 114.38 106.96 2f54 h ARG 202 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2f54 h ARG 202 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2f54 h ARG 202 CO 0.00 0.22 0.78 -0.80 -1.07 0.00 0.00 179.97 179.11 2f54 s ASN 203 N -6.34 6.96 -0.23 7.04 0.01 -0.92 -4.94 114.94 116.52 2f54 s ASN 203 Ca -0.02 1.90 -0.03 0.00 -0.71 0.00 0.00 52.86 54.00 2f54 s ASN 203 Cb 0.12 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2f54 s ASN 203 CO 0.64 -0.66 -0.05 -2.28 -1.51 0.00 0.00 177.10 173.24 2f54 s HIS 204 N 2.50 2.99 0.01 2.20 5.65 -1.26 -1.59 115.29 125.78 2f54 s HIS 204 Ca 0.59 -1.12 0.00 0.00 0.25 0.00 0.00 55.06 54.77 2f54 s HIS 204 Cb -0.27 -2.10 -0.04 0.00 -1.18 0.00 0.00 32.58 29.00 2f54 s HIS 204 CO 0.23 -0.61 0.09 -0.06 -0.65 0.00 0.00 174.74 173.73 2f54 s PHE 205 N 1.43 3.28 -0.16 3.88 0.08 0.56 -1.17 117.98 125.89 2f54 s PHE 205 Ca 0.04 0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.19 2f54 s PHE 205 Cb -0.15 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 2f54 s PHE 205 CO -0.04 0.55 0.39 0.50 -0.10 0.00 0.00 175.22 176.53 2f54 s ARG 206 N -1.87 0.38 -0.30 0.44 3.52 -0.15 -0.99 118.95 119.99 2f54 s ARG 206 Ca 0.24 0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 56.49 2f54 s ARG 206 Cb -0.12 -0.00 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 2f54 s ARG 206 CO 0.16 -0.15 0.14 0.00 -0.81 0.00 0.00 175.30 174.64 2f54 s GLN 208 N 1.60 3.54 -0.22 0.00 0.74 0.14 -2.20 119.66 123.27 2f54 s GLN 208 Ca 0.05 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 54.89 2f54 s GLN 208 Cb -0.17 -2.80 0.05 0.00 1.10 0.00 0.00 33.01 31.19 2f54 s GLN 208 CO 0.06 0.24 -0.11 0.08 -0.55 0.00 0.00 175.29 175.00 2f54 s VAL 209 N 0.33 1.87 -0.27 1.34 1.01 0.34 -0.51 120.40 124.52 2f54 s VAL 209 Ca -0.07 -1.25 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 2f54 s VAL 209 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2f54 s VAL 209 CO 0.04 0.12 0.66 -1.58 0.00 0.00 0.00 175.10 174.34 2f54 s GLN 210 N 1.28 4.05 -0.12 2.72 2.00 0.13 -1.30 119.66 128.41 2f54 s GLN 210 Ca -0.04 0.53 -0.03 0.00 -2.00 0.00 0.00 55.36 53.82 2f54 s GLN 210 Cb -0.17 -3.68 -0.03 0.00 0.80 0.00 0.00 33.01 29.93 2f54 s GLN 210 CO -0.07 -0.48 -0.01 0.12 -0.50 0.00 0.00 175.29 174.35 2f54 s PHE 211 N 2.60 3.12 -0.40 1.67 5.36 0.13 -1.04 117.98 129.42 2f54 s PHE 211 Ca 0.27 0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.22 2f54 s PHE 211 Cb -0.15 -1.87 0.10 0.00 -0.34 0.00 0.00 43.02 40.75 2f54 s PHE 211 CO 0.09 0.27 0.20 0.71 -1.46 0.00 0.00 175.22 175.04 2f54 s TYR 212 N -0.34 3.49 0.00 10.12 1.51 -0.62 -1.57 117.35 129.94 2f54 s TYR 212 Ca 0.07 -2.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.00 2f54 s TYR 212 Cb -0.12 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 2f54 s TYR 212 CO 0.02 -0.93 0.00 0.41 -1.11 0.00 0.00 175.55 173.94 2f54 n GLY 213 N 4.69 2.51 3.81 0.71 0.00 -1.26 -4.75 105.19 110.89 2f54 n GLY 213 Ca -0.06 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2f54 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f54 s LEU 214 N 0.00 3.04 0.02 0.99 1.43 0.47 -4.47 118.68 120.16 2f54 s LEU 214 Ca 0.00 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.57 2f54 s LEU 214 Cb 0.00 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 2f54 s LEU 214 CO 0.00 -1.60 0.41 -0.55 0.23 0.00 0.00 176.35 174.84 2f54 s SER 215 N -3.75 6.78 0.28 2.29 0.15 -1.26 -1.85 113.70 116.34 2f54 s SER 215 Ca 0.59 0.94 0.10 0.00 0.70 0.00 0.00 55.95 58.28 2f54 s SER 215 Cb -0.14 -2.24 0.88 0.00 -1.71 0.00 0.00 66.02 62.81 2f54 s SER 215 CO 0.55 0.29 1.27 -0.62 1.20 0.00 0.00 173.24 175.93 2f54 n GLU 216 N 1.61 -0.06 -1.98 5.44 -0.58 -1.26 -1.41 120.64 122.40 2f54 n GLU 216 Ca -0.13 1.15 -0.37 0.00 -0.42 0.00 0.00 57.16 57.40 2f54 n GLU 216 Cb 0.52 -1.96 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2f54 n GLU 216 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f54 n ASN 217 N -4.96 7.32 -4.35 1.62 5.15 -1.26 -4.94 115.26 113.85 2f54 n ASN 217 Ca 0.25 -3.47 -0.28 0.00 -0.60 0.00 0.00 54.58 50.49 2f54 n ASN 217 Cb 0.85 -1.21 -0.13 0.00 -0.53 0.00 0.00 39.78 38.77 2f54 n ASN 217 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2f54 s ASP 218 N -0.40 3.03 0.31 1.20 1.01 -0.50 -5.13 116.67 116.20 2f54 s ASP 218 Ca 0.51 -0.69 -0.27 0.00 0.71 0.00 0.00 52.55 52.81 2f54 s ASP 218 Cb 0.31 -0.21 -0.09 0.00 1.01 0.00 0.00 42.92 43.93 2f54 s ASP 218 CO -0.22 0.16 0.99 -1.83 0.21 0.00 0.00 175.17 174.48 2f54 s GLU 219 N -1.82 4.57 -0.30 8.23 -1.05 -1.26 -5.01 118.70 122.06 2f54 s GLU 219 Ca 0.11 1.50 -0.06 0.00 -0.15 0.00 0.00 54.97 56.36 2f54 s GLU 219 Cb -0.10 -2.93 0.16 0.00 -0.44 0.00 0.00 34.13 30.82 2f54 s GLU 219 CO 0.05 0.24 0.68 -0.46 0.95 0.00 0.00 175.26 176.71 2f54 s TRP 220 N -1.44 -1.37 -0.18 4.83 -0.11 -1.26 -5.03 118.94 114.39 2f54 s TRP 220 Ca 0.48 1.85 0.21 0.00 1.22 0.00 0.00 56.10 59.86 2f54 s TRP 220 Cb -0.24 0.63 0.47 0.00 -1.50 0.00 0.00 33.47 32.83 2f54 s TRP 220 CO 0.30 -0.72 1.15 0.25 -4.62 0.00 0.00 176.95 173.31 2f54 n THR 221 N 5.41 1.14 1.97 5.86 -2.24 -1.26 -4.83 114.28 120.33 2f54 n THR 221 Ca -0.06 -2.54 0.14 0.00 -2.27 0.00 0.00 64.05 59.32 2f54 n THR 221 Cb 0.50 0.73 0.81 0.00 -2.10 0.00 0.00 70.33 70.27 2f54 n THR 221 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f54 n GLN 222 N -0.32 0.99 0.00 -0.78 1.13 -1.26 -4.93 117.38 112.20 2f54 n GLN 222 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 2f54 n GLN 222 Cb 0.92 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.84 2f54 n GLN 222 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2f54 n ASP 223 N -0.93 0.00 -3.52 1.08 -0.08 -1.26 -5.00 116.55 106.83 2f54 n ASP 223 Ca 0.20 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.36 2f54 n ASP 223 Cb 0.09 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.61 2f54 n ASP 223 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2f54 n ARG 224 N -0.20 0.38 -1.82 -0.67 0.00 -1.26 -5.03 116.66 108.06 2f54 n ARG 224 Ca 0.00 -1.62 -0.41 0.00 -0.00 0.00 0.00 57.85 55.81 2f54 n ARG 224 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 32.46 32.14 2f54 n ARG 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f54 s ALA 225 N -2.81 3.73 -0.07 2.89 0.00 -1.26 -4.91 121.76 119.34 2f54 s ALA 225 Ca 0.37 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 2f54 s ALA 225 Cb -0.02 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 2f54 s ALA 225 CO 0.24 -0.94 2.03 0.21 0.00 0.00 0.00 175.76 177.31 2f54 s LYS 226 N -0.42 3.76 -0.59 0.00 2.20 -1.26 -4.83 119.74 118.60 2f54 s LYS 226 Ca 0.63 2.34 -0.25 0.00 -0.36 0.00 0.00 55.97 58.33 2f54 s LYS 226 Cb -0.47 -4.23 -0.23 0.00 -1.51 0.00 0.00 37.83 31.40 2f54 s LYS 226 CO 0.47 -1.39 1.83 -0.35 -0.36 0.00 0.00 175.35 175.55 2f54 n PRO 227 N 7.98 0.94 -2.67 4.03 -0.04 -1.26 -4.88 135.00 139.09 2f54 n PRO 227 Ca 0.23 -1.63 -0.24 0.00 -0.04 0.00 0.00 63.50 61.82 2f54 n PRO 227 Cb 0.43 -2.94 0.03 0.00 -0.04 0.00 0.00 33.50 30.98 2f54 n PRO 227 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2f54 s VAL 228 N 7.09 3.49 0.18 0.52 -7.23 -1.26 -0.40 120.40 122.80 2f54 s VAL 228 Ca 0.64 -0.36 -0.33 0.00 -1.81 0.00 0.00 61.98 60.12 2f54 s VAL 228 Cb 0.12 -3.34 -0.13 0.00 0.56 0.00 0.00 36.38 33.59 2f54 s VAL 228 CO 0.20 -0.28 1.60 0.41 -0.31 0.00 0.00 175.10 176.71 2f54 n THR 229 N -2.36 0.11 -3.85 5.32 -1.04 -0.77 -4.44 114.28 107.25 2f54 n THR 229 Ca 0.04 -0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 61.98 2f54 n THR 229 Cb 0.58 -1.64 0.02 0.00 -1.82 0.00 0.00 70.33 67.48 2f54 n THR 229 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f54 n GLN 230 N 3.38 0.81 -5.14 -2.82 10.64 -0.61 -4.91 117.38 118.72 2f54 n GLN 230 Ca 0.16 -1.71 -0.31 0.00 -1.83 0.00 0.00 57.00 53.31 2f54 n GLN 230 Cb 0.30 2.24 -0.17 0.00 -0.86 0.00 0.00 30.24 31.76 2f54 n GLN 230 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2f54 s ILE 231 N -2.08 1.92 -0.02 -0.39 1.01 -1.26 -0.69 121.20 119.68 2f54 s ILE 231 Ca 0.20 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.95 2f54 s ILE 231 Cb -0.04 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2f54 s ILE 231 CO 0.08 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.66 2f54 s VAL 232 N 0.21 1.58 0.14 2.92 1.01 -0.42 -4.98 120.40 120.86 2f54 s VAL 232 Ca -0.13 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2f54 s VAL 232 Cb -0.16 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2f54 s VAL 232 CO 0.06 0.45 0.38 -0.94 0.00 0.00 0.00 175.10 175.05 2f54 s SER 233 N -0.37 -0.14 0.01 3.32 1.04 -1.26 -0.50 113.70 115.81 2f54 s SER 233 Ca 0.05 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2f54 s SER 233 Cb -0.09 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2f54 s SER 233 CO -0.00 -0.89 -0.02 0.00 0.98 0.00 0.00 173.24 173.31 2f54 s ALA 234 N -3.86 0.09 0.34 5.32 0.00 -0.93 -4.87 121.76 117.84 2f54 s ALA 234 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2f54 s ALA 234 Cb 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2f54 s ALA 234 CO -0.07 -0.11 0.15 -1.83 0.00 0.00 0.00 175.76 173.90 2f54 s GLU 235 N -0.99 1.70 -0.13 0.00 -1.05 -1.26 -0.47 118.70 116.50 2f54 s GLU 235 Ca -0.11 -1.99 -0.30 0.00 -0.15 0.00 0.00 54.97 52.43 2f54 s GLU 235 Cb -0.07 -0.28 0.10 0.00 -0.44 0.00 0.00 34.13 33.44 2f54 s GLU 235 CO -0.01 -0.45 0.83 0.00 0.95 0.00 0.00 175.26 176.59 2f54 s ALA 236 N -3.46 -1.85 0.36 -0.84 0.00 -0.16 -4.81 121.76 111.00 2f54 s ALA 236 Ca 0.33 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.88 2f54 s ALA 236 Cb 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2f54 s ALA 236 CO 0.17 -0.33 0.27 -1.58 0.00 0.00 0.00 175.76 174.29 2f54 s TRP 237 N -0.95 2.80 0.63 0.00 0.51 -1.26 -0.32 118.94 120.35 2f54 s TRP 237 Ca -0.06 -0.37 -0.16 0.00 -2.12 0.00 0.00 56.10 53.39 2f54 s TRP 237 Cb -0.01 -1.85 -0.01 0.00 -0.81 0.00 0.00 33.47 30.79 2f54 s TRP 237 CO 0.05 0.16 1.13 0.20 -0.51 0.00 0.00 176.95 177.97 2f54 s GLY 238 N -3.98 2.32 -0.04 0.98 0.00 -0.62 -4.95 107.32 101.02 2f54 s GLY 238 Ca 0.42 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 2f54 s GLY 238 CO 0.26 1.02 0.02 0.50 0.00 0.00 0.00 173.10 174.90 2f54 s ARG 239 N -3.84 0.22 0.11 2.90 0.52 -0.66 -4.11 118.95 114.09 2f54 s ARG 239 Ca 0.69 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 56.12 2f54 s ARG 239 Cb -0.22 -0.58 -0.20 0.00 0.52 0.00 0.00 34.95 34.46 2f54 s ARG 239 CO 0.38 -0.24 1.25 0.00 0.02 0.00 0.00 175.30 176.70 2f54 h ALA 240 N 7.89 0.29 0.00 2.13 0.00 -1.79 -3.36 119.26 124.42 2f54 h ALA 240 Ca -0.28 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2f54 h ALA 240 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2f54 h ALA 240 CO 0.32 1.09 0.00 -0.40 0.00 0.00 0.00 179.25 180.26