#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 3.79 -0.14 1.61 1.01 -1.26 -3.29 120.40 122.13 2f54 s VAL 2 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2f54 s VAL 2 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2f54 s VAL 2 CO 0.00 0.38 -0.19 0.42 0.00 0.00 0.00 175.10 175.71 2f54 s THR 3 N 1.54 2.34 -0.07 3.92 -4.23 -0.67 -4.38 115.64 114.09 2f54 s THR 3 Ca 0.06 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 2f54 s THR 3 Cb -0.15 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 2f54 s THR 3 CO -0.00 0.54 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.50 2f54 s GLN 4 N 0.67 2.90 -0.04 3.99 -0.21 -1.26 -2.68 119.66 123.03 2f54 s GLN 4 Ca -0.09 -0.47 -0.04 0.00 0.02 0.00 0.00 55.36 54.78 2f54 s GLN 4 Cb -0.16 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.13 2f54 s GLN 4 CO 0.02 0.68 0.11 0.95 -2.12 0.00 0.00 175.29 174.93 2f54 s THR 5 N -0.90 -0.00 0.67 -0.19 -4.23 -1.18 -4.54 115.64 105.27 2f54 s THR 5 Ca 0.14 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 2f54 s THR 5 Cb -0.11 -0.16 0.06 0.00 1.34 0.00 0.00 72.50 73.63 2f54 s THR 5 CO 0.03 0.00 0.96 -2.16 -0.54 0.00 0.00 174.62 172.92 2f54 s PRO 6 N 0.06 2.25 -0.04 3.99 0.04 -1.26 -1.67 135.00 138.37 2f54 s PRO 6 Ca -0.00 -0.38 0.06 0.00 0.04 0.00 0.00 61.00 60.71 2f54 s PRO 6 Cb -0.01 -2.24 -0.24 0.00 0.04 0.00 0.00 34.50 32.05 2f54 s PRO 6 CO 0.00 -1.13 0.67 0.87 0.04 0.00 0.00 177.00 177.44 2f54 h LYS 7 N -0.46 0.09 -5.15 4.56 6.56 -1.80 -3.41 116.57 116.96 2f54 h LYS 7 Ca -0.44 -0.16 -0.41 0.00 -1.06 0.00 0.00 60.65 58.59 2f54 h LYS 7 Cb 1.31 0.06 -0.24 0.00 -0.57 0.00 0.00 32.23 32.79 2f54 h LYS 7 CO 0.58 0.77 -0.78 -0.06 -2.06 0.00 0.00 179.45 177.90 2f54 s PHE 8 N -2.60 1.10 -0.20 -1.35 0.08 -1.26 0.19 117.98 113.94 2f54 s PHE 8 Ca -0.09 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.31 2f54 s PHE 8 Cb 0.08 -0.65 0.09 0.00 -0.57 0.00 0.00 43.02 41.97 2f54 s PHE 8 CO 0.82 0.02 0.81 -1.14 -0.10 0.00 0.00 175.22 175.62 2f54 s GLN 9 N -1.26 0.80 -0.04 0.44 2.00 0.57 -4.89 119.66 117.28 2f54 s GLN 9 Ca -0.01 0.63 0.05 0.00 -2.00 0.00 0.00 55.36 54.03 2f54 s GLN 9 Cb -0.08 0.38 -0.01 0.00 0.80 0.00 0.00 33.01 34.10 2f54 s GLN 9 CO 0.01 -0.16 -0.19 0.08 -0.50 0.00 0.00 175.29 174.53 2f54 s VAL 10 N -0.23 1.56 0.06 1.34 1.01 -1.26 -1.92 120.40 120.96 2f54 s VAL 10 Ca -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2f54 s VAL 10 Cb -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2f54 s VAL 10 CO 0.02 0.44 -0.06 -0.76 0.00 0.00 0.00 175.10 174.74 2f54 s LEU 11 N -0.16 2.37 0.08 3.92 1.43 -0.15 -4.88 118.68 121.30 2f54 s LEU 11 Ca 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2f54 s LEU 11 Cb -0.10 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 2f54 s LEU 11 CO 0.01 -0.36 0.24 -0.75 0.23 0.00 0.00 176.35 175.72 2f54 s LYS 12 N -2.65 3.46 0.21 1.70 2.20 -1.25 0.30 119.74 123.70 2f54 s LYS 12 Ca -0.01 -0.43 -0.32 0.00 -0.36 0.00 0.00 55.97 54.85 2f54 s LYS 12 Cb -0.02 -3.01 -0.13 0.00 -1.51 0.00 0.00 37.83 33.16 2f54 s LYS 12 CO -0.03 0.58 1.52 0.25 -0.36 0.00 0.00 175.35 177.31 2f54 n THR 13 N 0.13 0.52 0.00 3.43 -2.24 -0.86 -2.71 114.28 112.55 2f54 n THR 13 Ca -0.05 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2f54 n THR 13 Cb 0.52 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 2.77 1.82 3.79 3.38 0.00 -0.04 -4.91 105.19 112.02 2f54 n GLY 14 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.64 4.47 -0.24 1.61 -0.21 -1.10 -4.33 119.66 119.21 2f54 s GLN 15 Ca 0.00 1.24 -0.12 0.00 0.02 0.00 0.00 55.36 56.50 2f54 s GLN 15 Cb 0.00 -2.64 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2f54 s GLN 15 CO 0.00 0.20 0.24 -1.54 -2.12 0.00 0.00 175.29 172.07 2f54 s SER 16 N -1.78 6.19 0.04 5.90 1.04 -1.24 -1.55 113.70 122.31 2f54 s SER 16 Ca 0.53 0.21 0.07 0.00 0.48 0.00 0.00 55.95 57.24 2f54 s SER 16 Cb -0.16 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 2f54 s SER 16 CO 0.21 -0.00 -0.19 -0.32 0.98 0.00 0.00 173.24 173.91 2f54 s MET 17 N 1.28 1.30 -0.16 4.02 0.00 -0.87 -4.99 119.30 119.88 2f54 s MET 17 Ca 0.11 -0.87 0.01 0.00 0.00 0.00 0.00 55.69 54.94 2f54 s MET 17 Cb -0.14 -1.37 0.02 0.00 0.00 0.00 0.00 34.83 33.34 2f54 s MET 17 CO 0.06 0.35 -0.16 0.99 0.00 0.00 0.00 175.02 176.27 2f54 s THR 18 N -0.77 1.74 -0.18 10.11 2.01 -1.26 -0.60 115.64 126.69 2f54 s THR 18 Ca 0.06 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 2f54 s THR 18 Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2f54 s THR 18 CO 0.01 0.45 0.32 -0.76 -0.69 0.00 0.00 174.62 173.96 2f54 s LEU 19 N 1.41 4.21 0.27 4.42 1.43 0.89 -4.77 118.68 126.54 2f54 s LEU 19 Ca 0.04 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2f54 s LEU 19 Cb -0.13 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2f54 s LEU 19 CO -0.11 0.04 0.52 -1.10 0.23 0.00 0.00 176.35 175.93 2f54 s GLN 20 N 0.78 3.63 -0.16 1.70 -1.52 -0.67 -0.88 119.66 122.54 2f54 s GLN 20 Ca 0.17 -0.02 -0.13 0.00 -1.95 0.00 0.00 55.36 53.43 2f54 s GLN 20 Cb -0.14 -2.68 0.04 0.00 -0.22 0.00 0.00 33.01 30.02 2f54 s GLN 20 CO 0.05 0.26 0.41 0.00 -0.25 0.00 0.00 175.29 175.76 2f54 s ALA 22 N 0.48 -0.52 0.04 0.00 0.00 -1.09 -1.94 121.76 118.74 2f54 s ALA 22 Ca -0.02 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 2f54 s ALA 22 Cb -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2f54 s ALA 22 CO -0.02 -0.22 -0.03 1.14 0.00 0.00 0.00 175.76 176.62 2f54 s GLN 23 N -1.26 0.52 -0.21 0.00 1.03 -0.49 -1.67 119.66 117.58 2f54 s GLN 23 Ca -0.13 -1.01 0.14 0.00 0.04 0.00 0.00 55.36 54.40 2f54 s GLN 23 Cb -0.06 0.15 0.45 0.00 0.03 0.00 0.00 33.01 33.57 2f54 s GLN 23 CO 0.02 -0.08 1.18 -0.40 -2.54 0.00 0.00 175.29 173.48 2f54 n ASP 24 N 0.63 2.71 -0.67 12.60 5.68 -1.21 -4.55 116.55 131.74 2f54 n ASP 24 Ca -0.17 -3.25 0.06 0.00 -0.50 0.00 0.00 54.79 50.93 2f54 n ASP 24 Cb 0.59 -0.42 0.18 0.00 -1.14 0.00 0.00 41.12 40.33 2f54 n ASP 24 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2f54 n MET 25 N -0.64 2.87 -2.73 0.11 2.81 -1.26 -4.79 117.12 113.49 2f54 n MET 25 Ca 0.24 -2.29 -0.16 0.00 -1.81 0.00 0.00 57.70 53.68 2f54 n MET 25 Cb 0.88 -1.44 -0.00 0.00 -0.71 0.00 0.00 33.22 31.94 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 0.09 -3.96 -4.75 7.83 3.02 -1.26 -4.92 115.26 111.31 2f54 n ASN 26 Ca 0.14 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2f54 n ASN 26 Cb 0.57 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.38 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 -2.73 3.33 -0.23 3.10 3.76 -1.26 -4.93 115.29 116.33 2f54 s HIS 27 Ca 0.13 1.42 0.19 0.00 -0.15 0.00 0.00 55.06 56.65 2f54 s HIS 27 Cb -0.07 -3.50 0.06 0.00 1.11 0.00 0.00 32.58 30.18 2f54 s HIS 27 CO 0.16 -1.40 1.24 0.93 -0.85 0.00 0.00 174.74 174.81 2f54 h GLU 28 N 4.56 0.00 -5.08 1.40 3.07 -1.82 -3.45 114.58 113.25 2f54 h GLU 28 Ca -0.46 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.75 2f54 h GLU 28 Cb 1.22 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.90 2f54 h GLU 28 CO 0.72 0.22 -0.66 -0.47 -1.40 0.00 0.00 179.01 177.42 2f54 s TYR 29 N -3.10 3.05 -0.01 4.33 5.04 -0.89 -2.74 117.35 123.03 2f54 s TYR 29 Ca 0.02 -0.48 0.02 0.00 -2.44 0.00 0.00 57.07 54.19 2f54 s TYR 29 Cb 0.08 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.27 2f54 s TYR 29 CO 0.76 -0.28 -0.08 -1.64 -1.34 0.00 0.00 175.55 172.97 2f54 s MET 30 N 1.14 0.65 0.07 4.97 -1.94 -0.45 -0.81 119.30 122.92 2f54 s MET 30 Ca 0.03 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 53.75 2f54 s MET 30 Cb -0.14 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.03 2f54 s MET 30 CO 0.02 0.15 -0.05 -1.54 -0.01 0.00 0.00 175.02 173.59 2f54 s SER 31 N -0.11 0.80 -0.06 3.03 1.04 0.38 -1.65 113.70 117.12 2f54 s SER 31 Ca 0.02 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.61 2f54 s SER 31 Cb -0.04 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2f54 s SER 31 CO -0.00 -0.46 -0.23 0.26 0.98 0.00 0.00 173.24 173.79 2f54 s TRP 32 N -3.22 2.28 0.13 5.02 0.52 -0.14 -0.52 118.94 123.01 2f54 s TRP 32 Ca 0.05 -0.73 0.05 0.00 0.02 0.00 0.00 56.10 55.48 2f54 s TRP 32 Cb 0.03 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 2f54 s TRP 32 CO -0.05 -0.25 -0.11 0.71 0.02 0.00 0.00 176.95 177.27 2f54 s TYR 33 N -0.00 1.26 -0.03 -1.98 2.02 0.25 -0.46 117.35 118.41 2f54 s TYR 33 Ca -0.07 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 2f54 s TYR 33 Cb -0.14 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.77 2f54 s TYR 33 CO 0.04 0.09 -0.12 -0.98 -1.57 0.00 0.00 175.55 173.01 2f54 s ARG 34 N -3.30 1.28 -0.16 -0.62 1.70 -0.95 -0.14 118.95 116.75 2f54 s ARG 34 Ca 0.13 -0.42 -0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2f54 s ARG 34 Cb -0.00 -1.15 0.04 0.00 -0.57 0.00 0.00 34.95 33.26 2f54 s ARG 34 CO 0.01 0.16 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.19 2f54 s GLN 35 N 0.14 1.48 0.49 3.89 0.74 0.12 -2.11 119.66 124.41 2f54 s GLN 35 Ca -0.03 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.75 2f54 s GLN 35 Cb -0.10 -1.97 -0.07 0.00 1.10 0.00 0.00 33.01 31.98 2f54 s GLN 35 CO 0.01 -0.41 0.91 -0.51 -0.55 0.00 0.00 175.29 174.74 2f54 s ASP 36 N 1.63 6.51 -0.33 6.67 1.11 -1.26 -3.09 116.67 127.91 2f54 s ASP 36 Ca 0.01 1.36 -0.29 0.00 0.18 0.00 0.00 52.55 53.81 2f54 s ASP 36 Cb -0.15 -2.42 -0.13 0.00 1.07 0.00 0.00 42.92 41.29 2f54 s ASP 36 CO -0.08 -0.56 1.35 -2.65 1.18 0.00 0.00 175.17 174.41 2f54 n PRO 37 N -1.69 0.00 -4.16 8.23 -0.02 -1.26 -1.13 135.00 134.96 2f54 n PRO 37 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 2f54 n PRO 37 Cb 0.54 -0.99 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 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 4.54 -0.54 0.82 -1.23 0.00 -1.26 -4.88 105.19 102.63 2f54 n GLY 38 Ca 0.33 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 -4.85 0.13 0.00 1.61 2.81 -0.29 -5.15 117.12 111.38 2f54 n MET 39 Ca -0.20 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2f54 n MET 39 Cb 0.62 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 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 2.87 4.69 3.73 3.03 0.00 -1.26 -5.02 105.19 113.22 2f54 n GLY 40 Ca -0.07 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2f54 n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f54 n LEU 41 N 0.00 4.08 -3.94 0.99 4.77 -1.26 -4.51 117.00 117.13 2f54 n LEU 41 Ca 0.00 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.83 2f54 n LEU 41 Cb 0.00 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.37 2f54 n LEU 41 CO 0.00 0.01 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.50 2f54 s ARG 42 N -0.49 1.70 0.06 3.23 1.81 -0.90 -4.98 118.95 119.38 2f54 s ARG 42 Ca 0.65 -0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 53.59 2f54 s ARG 42 Cb -0.53 -2.32 -0.07 0.00 -0.45 0.00 0.00 34.95 31.59 2f54 s ARG 42 CO 0.49 -0.48 1.41 -1.17 -0.68 0.00 0.00 175.30 174.87 2f54 s LEU 43 N 1.49 4.35 -0.20 2.53 2.96 -1.26 -2.24 118.68 126.30 2f54 s LEU 43 Ca -0.02 2.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.98 2f54 s LEU 43 Cb -0.17 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 2f54 s LEU 43 CO -0.08 -0.69 -0.26 -0.38 -1.32 0.00 0.00 176.35 173.62 2f54 n ILE 44 N 4.30 1.50 -3.71 6.68 5.41 0.39 0.32 119.36 134.25 2f54 n ILE 44 Ca 0.12 -0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.77 2f54 n ILE 44 Cb 0.43 -2.20 -0.05 0.00 -0.71 0.00 0.00 39.64 37.10 2f54 n ILE 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2f54 s HIS 45 N -2.62 -0.09 0.07 1.39 3.76 -1.23 -1.38 115.29 115.19 2f54 s HIS 45 Ca -0.29 -0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 54.19 2f54 s HIS 45 Cb 0.07 0.20 0.04 0.00 1.11 0.00 0.00 32.58 34.00 2f54 s HIS 45 CO 0.42 -0.71 0.43 1.52 -0.85 0.00 0.00 174.74 175.55 2f54 s TYR 46 N -3.83 -0.28 -0.07 1.40 1.13 -0.68 -0.97 117.35 114.06 2f54 s TYR 46 Ca 0.05 0.18 -0.06 0.00 -1.41 0.00 0.00 57.07 55.83 2f54 s TYR 46 Cb 0.02 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2f54 s TYR 46 CO -0.10 -0.62 0.18 0.45 -2.51 0.00 0.00 175.55 172.95 2f54 s SER 47 N -2.21 -0.18 0.00 -0.18 0.15 -0.66 -0.73 113.70 109.88 2f54 s SER 47 Ca -0.03 0.35 0.20 0.00 0.70 0.00 0.00 55.95 57.17 2f54 s SER 47 Cb -0.00 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 2f54 s SER 47 CO -0.05 -0.06 0.97 1.33 1.20 0.00 0.00 173.24 176.63 2f54 n VAL 48 N 2.99 0.00 -3.61 4.45 0.24 -1.25 -1.35 118.33 119.80 2f54 n VAL 48 Ca -0.13 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 61.90 2f54 n VAL 48 Cb 0.59 1.20 -0.01 0.00 -1.47 0.00 0.00 33.84 34.14 2f54 n VAL 48 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f54 s GLY 49 N -2.33 -0.35 0.15 7.63 0.00 -1.11 -4.34 107.32 106.96 2f54 s GLY 49 Ca 0.15 0.99 -0.31 0.00 0.00 0.00 0.00 44.72 45.55 2f54 s GLY 49 CO 0.55 0.28 1.82 0.00 0.00 0.00 0.00 173.10 175.75 2f54 n ALA 50 N -0.31 2.39 0.00 3.20 0.00 -1.26 -1.63 120.51 122.89 2f54 n ALA 50 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2f54 n ALA 50 Cb 0.61 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 4.20 2.95 3.41 0.00 0.00 0.65 -5.02 105.19 111.37 2f54 n GLY 51 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.83 2.37 0.04 -0.61 2.07 -0.65 -4.94 121.20 116.65 2f54 s ILE 52 Ca 0.00 -1.82 -0.16 0.00 -1.41 0.00 0.00 60.65 57.26 2f54 s ILE 52 Cb 0.00 -2.08 0.03 0.00 0.13 0.00 0.00 42.46 40.53 2f54 s ILE 52 CO 0.00 0.02 0.35 0.42 -1.91 0.00 0.00 174.94 173.82 2f54 s THR 53 N -1.28 0.07 -0.00 4.00 -4.23 -1.26 -4.48 115.64 108.45 2f54 s THR 53 Ca 0.17 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 2f54 s THR 53 Cb -0.09 -0.92 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 2f54 s THR 53 CO 0.08 -0.32 0.07 -1.81 -0.54 0.00 0.00 174.62 172.10 2f54 s ASP 54 N -1.97 0.06 0.76 3.99 -0.00 0.09 -4.99 116.67 114.61 2f54 s ASP 54 Ca -0.06 -0.20 -0.11 0.00 -0.00 0.00 0.00 52.55 52.18 2f54 s ASP 54 Cb -0.01 0.17 0.05 0.00 -0.00 0.00 0.00 42.92 43.12 2f54 s ASP 54 CO -0.02 -0.26 1.08 -1.10 -0.00 0.00 0.00 175.17 174.87 2f54 s GLN 55 N -1.03 2.38 0.00 8.23 -0.21 -1.26 -1.68 119.66 126.08 2f54 s GLN 55 Ca -0.11 1.02 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2f54 s GLN 55 Cb -0.07 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.02 2f54 s GLN 55 CO 0.00 -1.51 0.00 0.41 -2.12 0.00 0.00 175.29 172.07 2f54 n GLY 56 N -1.54 1.63 0.13 3.09 0.00 -0.48 -4.72 105.19 103.31 2f54 n GLY 56 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 0.65 -3.59 1.61 2.13 0.96 -4.75 120.64 117.65 2f54 n GLU 57 Ca 0.00 0.19 -0.27 0.00 0.66 0.00 0.00 57.16 57.74 2f54 n GLU 57 Cb 0.00 -1.54 -0.10 0.00 0.27 0.00 0.00 31.44 30.07 2f54 n GLU 57 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2f54 n VAL 58 N -3.49 1.00 1.39 6.31 0.24 -0.08 -4.91 118.33 118.79 2f54 n VAL 58 Ca -0.46 -4.58 0.14 0.00 -2.04 0.00 0.00 64.34 57.40 2f54 n VAL 58 Cb 0.97 -2.03 0.54 0.00 -1.47 0.00 0.00 33.84 31.85 2f54 n VAL 58 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2f54 n PRO 59 N 1.76 0.85 -1.95 7.34 -0.04 -1.25 -4.49 135.00 137.22 2f54 n PRO 59 Ca 0.25 -0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 2f54 n PRO 59 Cb 0.41 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2f54 n PRO 59 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2f54 s ASN 60 N -2.41 6.60 0.00 3.54 0.02 -1.26 -1.76 114.94 119.67 2f54 s ASN 60 Ca 0.29 2.59 0.00 0.00 -1.02 0.00 0.00 52.86 54.72 2f54 s ASN 60 Cb 0.20 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.88 2f54 s ASN 60 CO 0.47 -0.82 0.00 0.61 0.02 0.00 0.00 177.10 177.38 2f54 n GLY 61 N 3.75 0.80 3.07 0.66 0.00 -1.26 -5.00 105.19 107.21 2f54 n GLY 61 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.26 2.08 0.22 1.61 2.02 -0.72 -2.98 117.35 116.32 2f54 s TYR 62 Ca 0.00 -1.01 0.08 0.00 -0.37 0.00 0.00 57.07 55.77 2f54 s TYR 62 Cb 0.00 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2f54 s TYR 62 CO 0.00 -0.51 0.05 -0.80 -1.57 0.00 0.00 175.55 172.72 2f54 s ASN 63 N 1.01 4.92 0.05 2.29 0.02 0.96 -4.92 114.94 119.27 2f54 s ASN 63 Ca -0.06 -0.43 -0.10 0.00 -1.02 0.00 0.00 52.86 51.25 2f54 s ASN 63 Cb -0.15 -1.08 0.01 0.00 0.02 0.00 0.00 41.25 40.05 2f54 s ASN 63 CO -0.03 0.03 0.22 -0.69 0.02 0.00 0.00 177.10 176.66 2f54 s VAL 64 N -2.03 0.11 0.06 1.60 1.01 -1.26 -0.74 120.40 119.15 2f54 s VAL 64 Ca 0.30 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 2f54 s VAL 64 Cb -0.08 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2f54 s VAL 64 CO 0.21 -0.48 0.32 -0.94 0.00 0.00 0.00 175.10 174.20 2f54 s SER 65 N -2.21 -0.13 -0.44 3.32 1.04 -1.21 -5.02 113.70 109.04 2f54 s SER 65 Ca -0.03 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.21 2f54 s SER 65 Cb -0.00 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.70 2f54 s SER 65 CO -0.05 -0.67 0.43 -1.14 0.98 0.00 0.00 173.24 172.79 2f54 n ARG 66 N 0.36 0.61 0.24 4.02 3.00 -1.26 -3.83 116.66 119.79 2f54 n ARG 66 Ca -0.18 -3.37 0.14 0.00 -0.00 0.00 0.00 57.85 54.44 2f54 n ARG 66 Cb 0.61 -1.60 0.38 0.00 0.00 0.00 0.00 32.46 31.84 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 5.01 0.00 -5.78 6.15 0.02 -1.94 0.19 113.55 117.19 2f54 h SER 67 Ca 0.19 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.76 2f54 h SER 67 Cb 0.87 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.28 2f54 h SER 67 CO 0.45 0.03 -0.52 0.42 -1.14 0.00 0.00 176.83 176.07 2f54 s THR 68 N -3.40 0.00 0.15 -2.27 -4.23 -1.26 -4.78 115.64 99.85 2f54 s THR 68 Ca 0.04 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 2f54 s THR 68 Cb 0.07 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.29 2f54 s THR 68 CO 0.62 0.00 1.39 0.74 -0.54 0.00 0.00 174.62 176.83 2f54 h THR 69 N 2.30 1.33 0.12 3.99 2.02 -1.94 -3.37 112.91 117.36 2f54 h THR 69 Ca -0.29 -2.02 -0.28 0.00 0.77 0.00 0.00 66.41 64.59 2f54 h THR 69 Cb 1.24 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2f54 h THR 69 CO 0.42 0.62 -1.31 -0.33 0.37 0.00 0.00 175.52 175.30 2f54 h GLU 70 N 0.41 0.25 -5.87 6.66 3.07 -1.89 -3.45 114.58 113.77 2f54 h GLU 70 Ca -0.03 -0.43 -0.67 0.00 -0.50 0.00 0.00 59.36 57.73 2f54 h GLU 70 Cb 1.32 0.16 -0.15 0.00 -0.84 0.00 0.00 28.75 29.23 2f54 h GLU 70 CO 0.14 1.17 -0.62 -0.51 -1.40 0.00 0.00 179.01 177.79 2f54 s ASP 71 N -7.07 5.26 -0.43 1.42 -0.00 -1.26 -1.39 116.67 113.20 2f54 s ASP 71 Ca -0.05 0.13 0.07 0.00 -0.00 0.00 0.00 52.55 52.70 2f54 s ASP 71 Cb 0.07 -1.55 0.23 0.00 -0.00 0.00 0.00 42.92 41.68 2f54 s ASP 71 CO 0.87 0.35 0.51 0.33 -0.00 0.00 0.00 175.17 177.24 2f54 n PHE 72 N 2.34 0.05 -2.19 4.23 7.35 -0.82 -4.42 117.46 124.00 2f54 n PHE 72 Ca -0.18 -3.60 -0.41 0.00 -0.76 0.00 0.00 57.45 52.50 2f54 n PHE 72 Cb 0.53 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 40.06 2f54 n PHE 72 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2f54 s PRO 73 N -1.11 4.41 -0.16 -7.13 0.02 -1.25 -4.19 135.00 125.58 2f54 s PRO 73 Ca 0.35 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 2f54 s PRO 73 Cb 0.14 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2f54 s PRO 73 CO -0.12 -0.14 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.16 2f54 s LEU 74 N -1.34 2.90 -0.05 -5.54 2.96 -0.06 -3.34 118.68 114.21 2f54 s LEU 74 Ca 0.50 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2f54 s LEU 74 Cb -0.38 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2f54 s LEU 74 CO 0.48 0.11 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.80 2f54 s ARG 75 N 0.67 2.23 -0.36 1.98 3.52 0.08 -0.08 118.95 127.00 2f54 s ARG 75 Ca -0.04 -0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 54.61 2f54 s ARG 75 Cb -0.15 -1.92 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 2f54 s ARG 75 CO 0.02 0.34 0.36 -0.51 -0.81 0.00 0.00 175.30 174.70 2f54 s LEU 76 N -0.12 4.54 0.05 -0.88 1.02 0.23 -0.03 118.68 123.49 2f54 s LEU 76 Ca -0.03 -0.34 -0.27 0.00 0.02 0.00 0.00 54.13 53.51 2f54 s LEU 76 Cb -0.13 -2.32 -0.15 0.00 0.02 0.00 0.00 46.19 43.62 2f54 s LEU 76 CO 0.03 -0.37 1.41 -0.07 0.02 0.00 0.00 176.35 177.37 2f54 h LEU 77 N 8.76 -0.87 -7.47 1.79 3.38 -1.82 -2.32 115.31 116.76 2f54 h LEU 77 Ca -0.29 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.12 2f54 h LEU 77 Cb 1.14 0.24 -0.39 0.00 0.09 0.00 0.00 40.66 41.74 2f54 h LEU 77 CO 0.70 -0.58 -0.77 -0.55 0.09 0.00 0.00 178.44 177.34 2f54 s SER 78 N -3.49 3.83 0.30 -0.43 0.15 -1.26 -3.63 113.70 109.16 2f54 s SER 78 Ca -0.14 -1.33 -0.30 0.00 0.70 0.00 0.00 55.95 54.89 2f54 s SER 78 Cb 0.02 -1.06 -0.12 0.00 -1.71 0.00 0.00 66.02 63.14 2f54 s SER 78 CO 0.43 -0.30 1.45 0.00 1.20 0.00 0.00 173.24 176.02 2f54 n ALA 79 N 4.73 1.79 -2.80 5.45 0.00 -0.59 -4.69 120.51 124.39 2f54 n ALA 79 Ca -0.08 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2f54 n ALA 79 Cb 0.44 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 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 -0.42 0.73 0.36 0.00 0.00 -1.26 -0.86 121.76 120.31 2f54 s ALA 80 Ca 0.62 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2f54 s ALA 80 Cb -0.56 -0.02 0.76 0.00 0.00 0.00 0.00 23.12 23.30 2f54 s ALA 80 CO 0.54 0.05 1.93 -1.35 0.00 0.00 0.00 175.76 176.93 2f54 h PRO 81 N 4.63 0.73 -0.02 0.00 0.11 -1.96 0.07 132.00 135.55 2f54 h PRO 81 Ca -0.36 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.71 2f54 h PRO 81 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2f54 h PRO 81 CO 0.42 0.48 0.18 0.66 -0.21 0.00 0.00 178.00 179.53 2f54 h SER 82 N 0.75 0.00 0.14 -2.05 4.64 -1.97 0.77 113.55 115.83 2f54 h SER 82 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2f54 h SER 82 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2f54 h SER 82 CO -0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.68 2f54 n GLN 83 N -3.08 1.17 -1.67 4.77 6.02 0.01 -4.85 117.38 119.75 2f54 n GLN 83 Ca -0.02 -0.67 -0.45 0.00 -0.01 0.00 0.00 57.00 55.84 2f54 n GLN 83 Cb 0.25 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 2f54 n GLN 83 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2f54 n THR 84 N -0.33 0.60 -3.93 5.09 -1.04 0.26 -4.86 114.28 110.08 2f54 n THR 84 Ca 0.15 -0.11 0.03 0.00 -2.04 0.00 0.00 64.05 62.09 2f54 n THR 84 Cb 0.35 -2.05 0.01 0.00 -1.82 0.00 0.00 70.33 66.82 2f54 n THR 84 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2f54 s SER 85 N 3.91 -0.00 -0.28 8.00 0.15 -0.91 -4.98 113.70 119.59 2f54 s SER 85 Ca 0.90 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 57.34 2f54 s SER 85 Cb -0.57 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.80 2f54 s SER 85 CO 0.46 -0.17 0.13 -0.69 1.20 0.00 0.00 173.24 174.16 2f54 s VAL 86 N -2.05 4.67 -0.14 4.45 1.01 -1.18 -1.77 120.40 125.40 2f54 s VAL 86 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2f54 s VAL 86 Cb 0.01 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2f54 s VAL 86 CO -0.02 0.23 0.13 -0.31 0.00 0.00 0.00 175.10 175.13 2f54 s TYR 87 N 1.65 3.52 -0.14 5.22 1.51 0.41 -0.70 117.35 128.83 2f54 s TYR 87 Ca 0.06 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.57 2f54 s TYR 87 Cb -0.16 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2f54 s TYR 87 CO 0.06 0.59 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.89 2f54 s PHE 88 N -0.63 2.14 0.05 2.71 0.08 0.80 -0.91 117.98 122.22 2f54 s PHE 88 Ca 0.13 -1.16 -0.16 0.00 0.12 0.00 0.00 56.93 55.85 2f54 s PHE 88 Cb -0.12 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 2f54 s PHE 88 CO 0.02 -0.63 0.49 0.00 -0.10 0.00 0.00 175.22 175.00 2f54 s ALA 90 N -1.16 -0.65 0.22 0.00 0.00 0.32 0.48 121.76 120.97 2f54 s ALA 90 Ca 0.28 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2f54 s ALA 90 Cb -0.17 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2f54 s ALA 90 CO 0.17 -0.15 0.01 -1.54 0.00 0.00 0.00 175.76 174.25 2f54 s SER 91 N 0.47 1.60 0.09 0.00 1.04 -0.45 0.14 113.70 116.59 2f54 s SER 91 Ca -0.03 -1.23 -0.27 0.00 0.48 0.00 0.00 55.95 54.91 2f54 s SER 91 Cb -0.04 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.21 2f54 s SER 91 CO -0.02 -0.55 0.96 -0.94 0.98 0.00 0.00 173.24 173.66 2f54 s SER 92 N -3.27 -0.23 0.75 7.02 1.04 0.01 -0.86 113.70 118.15 2f54 s SER 92 Ca 0.28 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 2f54 s SER 92 Cb 0.06 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2f54 s SER 92 CO 0.08 -0.76 1.08 -0.31 0.98 0.00 0.00 173.24 174.31 2f54 s TYR 93 N -3.17 2.97 -0.29 5.02 2.02 -1.26 -2.10 117.35 120.54 2f54 s TYR 93 Ca 0.10 1.29 0.12 0.00 -0.37 0.00 0.00 57.07 58.21 2f54 s TYR 93 Cb -0.01 -3.00 0.77 0.00 -0.40 0.00 0.00 41.96 39.32 2f54 s TYR 93 CO -0.02 -1.51 1.72 1.55 -1.57 0.00 0.00 175.55 175.73 2f54 n VAL 94 N -3.28 2.71 -1.22 0.71 3.14 -1.26 -4.59 118.33 114.54 2f54 n VAL 94 Ca 0.07 -1.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.05 2f54 n VAL 94 Cb 0.55 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.40 2.70 7.00 7.55 0.00 -1.26 -5.05 105.19 116.52 2f54 n GLY 95 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2f54 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2f54 n ASN 96 N 0.00 0.00 -0.00 1.61 4.05 -1.26 -1.58 115.26 118.08 2f54 n ASN 96 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 2f54 n ASN 96 Cb 0.00 0.00 0.22 0.00 1.23 0.00 0.00 39.78 41.23 2f54 n ASN 96 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2f54 h THR 97 N 0.00 1.24 -2.70 -0.44 2.02 -2.00 -3.47 112.91 107.57 2f54 h THR 97 Ca 0.00 -1.11 -0.19 0.00 0.77 0.00 0.00 66.41 65.88 2f54 h THR 97 Cb 0.00 1.20 0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2f54 h THR 97 CO 0.00 0.36 -0.30 0.61 0.37 0.00 0.00 175.52 176.57 2f54 n GLY 98 N -0.53 0.17 3.74 2.16 0.00 -0.62 -4.99 105.19 105.13 2f54 n GLY 98 Ca 0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.28 4.49 0.27 1.61 2.12 -1.26 -4.93 118.70 115.72 2f54 s GLU 99 Ca 0.19 1.05 -0.27 0.00 0.36 0.00 0.00 54.97 56.31 2f54 s GLU 99 Cb -0.08 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 2f54 s GLU 99 CO 0.24 0.25 0.90 -0.51 -0.54 0.00 0.00 175.26 175.60 2f54 s LEU 100 N 0.08 4.46 -0.26 2.70 1.43 -1.26 -4.42 118.68 121.42 2f54 s LEU 100 Ca 0.39 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 2f54 s LEU 100 Cb -0.20 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.32 2f54 s LEU 100 CO 0.22 0.04 -0.01 -0.36 0.23 0.00 0.00 176.35 176.48 2f54 s PHE 101 N -1.42 2.34 0.24 0.29 0.40 -0.04 -4.96 117.98 114.81 2f54 s PHE 101 Ca 0.45 -1.84 -0.18 0.00 -0.60 0.00 0.00 56.93 54.76 2f54 s PHE 101 Cb -0.21 -1.73 -0.08 0.00 0.51 0.00 0.00 43.02 41.51 2f54 s PHE 101 CO 0.26 -0.80 0.71 -0.06 0.70 0.00 0.00 175.22 176.03 2f54 s PHE 102 N 1.41 3.58 1.01 0.36 0.40 -1.26 -1.35 117.98 122.14 2f54 s PHE 102 Ca -0.01 1.31 -0.17 0.00 -0.60 0.00 0.00 56.93 57.47 2f54 s PHE 102 Cb -0.18 -2.57 0.22 0.00 0.51 0.00 0.00 43.02 41.00 2f54 s PHE 102 CO -0.10 0.29 1.31 0.20 0.70 0.00 0.00 175.22 177.62 2f54 s GLY 103 N -1.80 1.78 0.39 4.36 0.00 0.18 -4.78 107.32 107.43 2f54 s GLY 103 Ca 0.45 -1.23 0.08 0.00 0.00 0.00 0.00 44.72 44.02 2f54 s GLY 103 CO 0.20 -0.42 1.95 0.83 0.00 0.00 0.00 173.10 175.66 2f54 h GLU 104 N -1.83 0.35 0.00 2.90 4.39 -1.89 -3.45 114.58 115.05 2f54 h GLU 104 Ca -0.44 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2f54 h GLU 104 Cb 1.23 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2f54 h GLU 104 CO 0.34 0.39 0.00 0.41 -1.16 0.00 0.00 179.01 179.00 2f54 n GLY 105 N -1.03 2.73 2.69 -3.84 0.00 -1.26 -5.07 105.19 99.40 2f54 n GLY 105 Ca 0.00 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 1.19 -0.41 1.61 0.01 -0.08 -4.50 113.70 111.52 2f54 s SER 106 Ca 0.00 0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.12 2f54 s SER 106 Cb 0.00 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2f54 s SER 106 CO 0.00 -0.24 0.56 -0.13 0.41 0.00 0.00 173.24 173.84 2f54 s ARG 107 N 2.12 3.36 0.00 12.44 3.00 0.52 -0.44 118.95 139.95 2f54 s ARG 107 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 55.73 55.41 2f54 s ARG 107 Cb -0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 34.95 30.89 2f54 s ARG 107 CO -0.03 -0.86 0.04 -0.51 0.00 0.00 0.00 175.30 173.94 2f54 s LEU 108 N 2.54 3.69 -0.12 2.53 1.02 -0.73 -0.31 118.68 127.31 2f54 s LEU 108 Ca 0.19 0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.38 2f54 s LEU 108 Cb -0.15 -2.15 0.04 0.00 0.02 0.00 0.00 46.19 43.96 2f54 s LEU 108 CO 0.16 0.27 0.04 -0.89 0.02 0.00 0.00 176.35 175.95 2f54 s THR 109 N -1.15 0.25 -0.27 5.49 2.01 -0.81 -2.15 115.64 119.01 2f54 s THR 109 Ca 0.21 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 2f54 s THR 109 Cb -0.12 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2f54 s THR 109 CO 0.12 0.03 0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 2f54 s VAL 110 N 2.00 5.05 -0.06 3.82 1.01 -1.26 -0.97 120.40 129.99 2f54 s VAL 110 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2f54 s VAL 110 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2f54 s VAL 110 CO -0.06 0.26 -0.21 -0.76 0.00 0.00 0.00 175.10 174.33 2f54 s LEU 111 N 1.72 2.32 0.04 3.92 1.02 0.15 -4.38 118.68 123.46 2f54 s LEU 111 Ca 0.07 -0.40 0.22 0.00 0.02 0.00 0.00 54.13 54.04 2f54 s LEU 111 Cb -0.16 -1.44 0.90 0.00 0.02 0.00 0.00 46.19 45.51 2f54 s LEU 111 CO 0.09 0.28 1.69 -0.62 0.02 0.00 0.00 176.35 177.81 2f54 n GLU 112 N 2.74 0.03 -3.45 1.70 1.02 -1.26 -2.03 120.64 119.38 2f54 n GLU 112 Ca -0.17 0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 2f54 n GLU 112 Cb 0.52 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.20 1.16 0.39 1.62 -1.08 -1.26 -4.78 116.67 109.52 2f54 s ASP 113 Ca 0.10 -0.17 0.22 0.00 -0.52 0.00 0.00 52.55 52.18 2f54 s ASP 113 Cb 0.13 0.55 1.22 0.00 -1.46 0.00 0.00 42.92 43.37 2f54 s ASP 113 CO 0.40 -0.33 1.66 -0.07 0.52 0.00 0.00 175.17 177.35 2f54 h LEU 114 N 8.28 0.00 -9.32 -1.34 3.38 -1.95 -3.38 115.31 110.98 2f54 h LEU 114 Ca -0.17 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.24 2f54 h LEU 114 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2f54 h LEU 114 CO 0.29 0.00 0.37 -1.59 0.09 0.00 0.00 178.44 177.60 2f54 s LYS 115 N -3.60 4.46 0.00 1.13 -2.85 -1.26 -3.05 119.74 114.58 2f54 s LYS 115 Ca -0.02 1.25 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2f54 s LYS 115 Cb 0.06 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 2f54 s LYS 115 CO 0.20 -0.14 0.00 0.09 0.10 0.00 0.00 175.35 175.60 2f54 n ASN 116 N 4.38 0.00 -4.52 0.03 5.03 -1.26 -5.08 115.26 113.85 2f54 n ASN 116 Ca 0.05 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.07 2f54 n ASN 116 Cb 0.50 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.20 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 -0.87 4.76 0.00 2.41 1.01 -1.17 -4.68 120.40 121.86 2f54 s VAL 117 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2f54 s VAL 117 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2f54 s VAL 117 CO 0.00 -0.66 -0.25 -0.36 0.00 0.00 0.00 175.10 173.83 2f54 s PHE 118 N 2.98 2.36 0.66 5.22 0.08 -0.24 -4.64 117.98 124.40 2f54 s PHE 118 Ca 0.24 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 2f54 s PHE 118 Cb -0.14 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2f54 s PHE 118 CO 0.20 0.04 1.05 -1.25 -0.10 0.00 0.00 175.22 175.16 2f54 s PRO 119 N -0.87 3.22 0.52 0.24 0.04 -1.26 -0.42 135.00 136.47 2f54 s PRO 119 Ca 0.11 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2f54 s PRO 119 Cb -0.10 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 2f54 s PRO 119 CO 0.00 -0.87 1.01 -1.25 0.04 0.00 0.00 177.00 175.93 2f54 s PRO 120 N -5.02 3.79 -0.19 0.56 0.04 -1.26 -4.07 135.00 128.84 2f54 s PRO 120 Ca 0.57 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 2f54 s PRO 120 Cb -0.13 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2f54 s PRO 120 CO 0.53 -0.41 0.12 -1.21 0.04 0.00 0.00 177.00 176.07 2f54 s GLU 121 N -3.73 4.13 -0.10 4.56 0.41 0.12 -4.89 118.70 119.19 2f54 s GLU 121 Ca 0.63 -0.24 0.03 0.00 -0.41 0.00 0.00 54.97 54.98 2f54 s GLU 121 Cb -0.13 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 2f54 s GLU 121 CO 0.27 0.31 -0.22 0.08 -0.49 0.00 0.00 175.26 175.21 2f54 s VAL 122 N 0.32 1.94 0.02 2.63 1.01 -1.26 -0.67 120.40 124.38 2f54 s VAL 122 Ca 0.07 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2f54 s VAL 122 Cb -0.11 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2f54 s VAL 122 CO -0.01 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.55 2f54 s ALA 123 N 0.48 0.48 -0.09 5.51 0.00 -0.89 -4.50 121.76 122.75 2f54 s ALA 123 Ca -0.16 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2f54 s ALA 123 Cb -0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2f54 s ALA 123 CO 0.06 0.04 -0.15 0.08 0.00 0.00 0.00 175.76 175.80 2f54 s VAL 124 N -0.72 2.98 -0.15 0.00 1.01 -1.26 -1.18 120.40 121.08 2f54 s VAL 124 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2f54 s VAL 124 Cb -0.06 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2f54 s VAL 124 CO 0.00 0.56 -0.08 -0.36 0.00 0.00 0.00 175.10 175.22 2f54 s PHE 125 N -0.21 2.92 0.40 5.22 0.40 0.61 -5.00 117.98 122.32 2f54 s PHE 125 Ca 0.00 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 2f54 s PHE 125 Cb -0.13 -1.92 -0.09 0.00 0.51 0.00 0.00 43.02 41.39 2f54 s PHE 125 CO 0.03 -0.18 1.06 -1.21 0.70 0.00 0.00 175.22 175.61 2f54 s GLU 126 N 0.50 4.14 0.48 0.44 2.02 -1.26 -2.15 118.70 122.87 2f54 s GLU 126 Ca -0.06 1.53 -0.21 0.00 0.02 0.00 0.00 54.97 56.25 2f54 s GLU 126 Cb -0.15 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 2f54 s GLU 126 CO 0.03 -0.16 0.77 -2.30 0.02 0.00 0.00 175.26 173.62 2f54 n PRO 127 N -0.09 0.88 -2.54 0.39 -0.02 -1.25 -4.92 135.00 127.46 2f54 n PRO 127 Ca 0.05 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 2f54 n PRO 127 Cb 0.49 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 2f54 n PRO 127 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2f54 s SER 128 N -0.97 6.49 0.09 2.55 0.15 -1.26 -4.98 113.70 115.77 2f54 s SER 128 Ca 0.66 1.98 -0.36 0.00 0.70 0.00 0.00 55.95 58.93 2f54 s SER 128 Cb -0.52 -2.57 -0.17 0.00 -1.71 0.00 0.00 66.02 61.04 2f54 s SER 128 CO 0.55 -0.68 1.56 -0.08 1.20 0.00 0.00 173.24 175.80 2f54 h GLU 129 N 1.92 -0.95 -0.96 5.44 4.57 -2.00 -3.01 114.58 119.59 2f54 h GLU 129 Ca -0.49 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 57.87 2f54 h GLU 129 Cb 1.22 0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 29.95 2f54 h GLU 129 CO 0.60 -0.63 0.61 0.00 -1.18 0.00 0.00 179.01 178.41 2f54 h ALA 130 N -0.85 1.59 0.28 2.92 0.00 -2.00 -2.76 119.26 118.44 2f54 h ALA 130 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2f54 h ALA 130 Cb 0.87 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2f54 h ALA 130 CO -0.10 0.19 -0.23 1.49 0.00 0.00 0.00 179.25 180.60 2f54 h GLU 131 N 0.94 -0.51 -0.64 0.00 4.81 -1.86 -0.31 114.58 117.01 2f54 h GLU 131 Ca 0.46 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.79 2f54 h GLU 131 Cb 0.47 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2f54 h GLU 131 CO -0.22 -0.34 0.34 0.82 -0.73 0.00 0.00 179.01 178.88 2f54 h ILE 132 N -0.53 0.95 -0.04 2.32 2.04 -1.38 0.90 117.51 121.77 2f54 h ILE 132 Ca -0.02 -0.22 -0.22 0.00 1.00 0.00 0.00 64.86 65.40 2f54 h ILE 132 Cb 0.47 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2f54 h ILE 132 CO -0.02 0.12 -0.89 0.77 0.00 0.00 0.00 178.15 178.12 2f54 h SER 133 N 0.64 0.64 0.37 1.72 4.64 -1.50 0.21 113.55 120.27 2f54 h SER 133 Ca 0.29 -0.48 -0.24 0.00 -0.47 0.00 0.00 61.79 60.89 2f54 h SER 133 Cb 0.19 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2f54 h SER 133 CO -0.19 1.26 -1.03 -0.74 -0.87 0.00 0.00 176.83 175.27 2f54 h HIS 134 N 0.31 0.62 0.00 4.77 -0.00 -0.57 -3.39 115.15 116.89 2f54 h HIS 134 Ca -0.07 -0.37 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 2f54 h HIS 134 Cb 1.52 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 2f54 h HIS 134 CO 0.07 1.21 -0.55 0.25 -0.00 0.00 0.00 177.93 178.91 2f54 n THR 135 N -3.71 0.00 -2.79 6.26 -2.24 0.31 -5.01 114.28 107.10 2f54 n THR 135 Ca -0.08 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 2f54 n THR 135 Cb 0.88 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.89 2f54 n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f54 n GLN 136 N -1.29 -3.68 -4.06 -0.78 6.02 0.74 -4.98 117.38 109.36 2f54 n GLN 136 Ca 0.00 0.88 -0.08 0.00 -0.01 0.00 0.00 57.00 57.79 2f54 n GLN 136 Cb 0.05 -5.56 -0.10 0.00 1.02 0.00 0.00 30.24 25.64 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 -5.42 0.54 -0.11 -1.09 1.02 -1.26 -2.13 119.74 111.29 2f54 s LYS 137 Ca 0.20 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.14 2f54 s LYS 137 Cb -0.09 0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 2f54 s LYS 137 CO 0.25 -0.10 -0.11 0.00 -0.92 0.00 0.00 175.35 174.47 2f54 s ALA 138 N -3.29 1.43 -0.30 5.17 0.00 0.15 -3.42 121.76 121.51 2f54 s ALA 138 Ca 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2f54 s ALA 138 Cb 0.03 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.35 2f54 s ALA 138 CO -0.08 -0.23 0.03 0.99 0.00 0.00 0.00 175.76 176.47 2f54 s THR 139 N 1.32 3.35 0.10 0.00 2.01 -1.26 0.30 115.64 121.46 2f54 s THR 139 Ca -0.02 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.71 2f54 s THR 139 Cb -0.14 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.48 2f54 s THR 139 CO -0.05 -0.02 0.57 -0.76 -0.69 0.00 0.00 174.62 173.68 2f54 s LEU 140 N 1.36 4.45 -0.12 4.42 1.02 0.76 -3.79 118.68 126.77 2f54 s LEU 140 Ca -0.02 1.21 0.03 0.00 0.02 0.00 0.00 54.13 55.37 2f54 s LEU 140 Cb -0.18 -3.05 0.01 0.00 0.02 0.00 0.00 46.19 42.98 2f54 s LEU 140 CO -0.00 0.21 -0.22 -0.69 0.02 0.00 0.00 176.35 175.66 2f54 s VAL 141 N -1.25 2.01 -0.09 -1.59 1.01 -0.92 -0.65 120.40 118.93 2f54 s VAL 141 Ca 0.33 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2f54 s VAL 141 Cb -0.18 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2f54 s VAL 141 CO 0.19 0.54 0.01 0.00 0.00 0.00 0.00 175.10 175.84 2f54 s LEU 143 N -0.78 1.16 -0.21 0.00 2.96 -0.32 -0.32 118.68 121.15 2f54 s LEU 143 Ca 0.12 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2f54 s LEU 143 Cb -0.12 -0.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 2f54 s LEU 143 CO 0.02 -0.24 0.12 0.00 -1.32 0.00 0.00 176.35 174.93 2f54 s ALA 144 N 1.82 3.54 0.05 5.97 0.00 0.11 -2.09 121.76 131.16 2f54 s ALA 144 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2f54 s ALA 144 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2f54 s ALA 144 CO -0.07 -0.01 -0.02 0.95 0.00 0.00 0.00 175.76 176.61 2f54 s THR 145 N 0.71 0.21 -0.21 0.00 -4.23 0.15 0.51 115.64 112.78 2f54 s THR 145 Ca 0.06 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2f54 s THR 145 Cb -0.13 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2f54 s THR 145 CO 0.01 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.74 2f54 n GLY 146 N 0.15 0.40 3.89 3.99 0.00 -0.56 0.13 105.19 113.18 2f54 n GLY 146 Ca -0.14 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.60 3.49 -0.28 1.61 -0.71 -1.12 -4.58 117.98 114.79 2f54 s PHE 147 Ca 0.00 0.92 -0.21 0.00 -1.04 0.00 0.00 56.93 56.61 2f54 s PHE 147 Cb 0.00 -2.35 0.11 0.00 -1.21 0.00 0.00 43.02 39.57 2f54 s PHE 147 CO 0.00 -0.09 0.90 -0.47 -1.34 0.00 0.00 175.22 174.23 2f54 s TYR 148 N -2.39 -0.66 0.70 3.49 5.04 0.44 -0.34 117.35 123.63 2f54 s TYR 148 Ca 0.49 1.46 -0.12 0.00 -2.44 0.00 0.00 57.07 56.46 2f54 s TYR 148 Cb -0.10 0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.77 2f54 s TYR 148 CO 0.34 -0.33 0.92 -0.35 -1.34 0.00 0.00 175.55 174.79 2f54 n PRO 149 N 3.14 -1.05 -0.05 4.97 -0.04 -1.26 -1.07 135.00 139.63 2f54 n PRO 149 Ca -0.16 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2f54 n PRO 149 Cb 0.57 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 2f54 n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2f54 n ASP 150 N -3.67 0.85 -4.24 3.54 4.64 -1.26 -4.65 116.55 111.76 2f54 n ASP 150 Ca 0.12 -0.86 -0.43 0.00 -1.38 0.00 0.00 54.79 52.24 2f54 n ASP 150 Cb 0.41 -0.17 -0.04 0.00 -1.04 0.00 0.00 41.12 40.28 2f54 n ASP 150 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 2f54 s HIS 151 N 1.22 3.77 0.04 -0.67 3.76 -1.26 -5.02 115.29 117.12 2f54 s HIS 151 Ca 0.00 -2.42 -0.03 0.00 -0.15 0.00 0.00 55.06 52.47 2f54 s HIS 151 Cb 0.00 -3.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.07 2f54 s HIS 151 CO 0.00 -0.91 0.02 0.14 -0.85 0.00 0.00 174.74 173.13 2f54 s VAL 152 N -0.31 0.17 -0.08 -0.90 -7.23 -1.26 -2.25 120.40 108.54 2f54 s VAL 152 Ca 0.21 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2f54 s VAL 152 Cb -0.12 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.73 2f54 s VAL 152 CO -0.08 -0.78 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.30 2f54 s GLU 153 N -3.12 0.87 -0.09 4.82 2.02 -0.63 -4.99 118.70 117.57 2f54 s GLU 153 Ca -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 54.97 54.99 2f54 s GLU 153 Cb 0.02 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 2f54 s GLU 153 CO -0.07 -0.27 -0.10 -1.17 0.02 0.00 0.00 175.26 173.67 2f54 s LEU 154 N 1.80 2.96 0.02 1.80 0.20 -1.26 -1.18 118.68 123.03 2f54 s LEU 154 Ca 0.03 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.68 2f54 s LEU 154 Cb -0.13 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2f54 s LEU 154 CO -0.05 0.28 -0.00 -0.94 -0.29 0.00 0.00 176.35 175.34 2f54 s SER 155 N -0.31 0.24 -0.10 3.68 1.04 -0.59 -5.02 113.70 112.63 2f54 s SER 155 Ca 0.03 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 2f54 s SER 155 Cb -0.13 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2f54 s SER 155 CO 0.03 -0.35 -0.03 0.26 0.98 0.00 0.00 173.24 174.12 2f54 s TRP 156 N -1.78 3.05 -0.14 5.02 0.52 -1.26 -0.89 118.94 123.47 2f54 s TRP 156 Ca -0.13 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.00 2f54 s TRP 156 Cb -0.07 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2f54 s TRP 156 CO -0.02 0.27 -0.16 -1.58 0.02 0.00 0.00 176.95 175.48 2f54 s TRP 157 N -0.46 2.24 -0.18 -1.98 0.52 0.11 -1.47 118.94 117.72 2f54 s TRP 157 Ca 0.08 -1.21 -0.01 0.00 0.02 0.00 0.00 56.10 54.98 2f54 s TRP 157 Cb -0.12 -1.61 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 2f54 s TRP 157 CO 0.02 -0.63 -0.12 0.08 0.02 0.00 0.00 176.95 176.32 2f54 s VAL 158 N 1.26 2.84 -1.53 4.03 1.01 -0.57 -1.02 120.40 126.42 2f54 s VAL 158 Ca 0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2f54 s VAL 158 Cb -0.14 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.08 2f54 s VAL 158 CO -0.08 0.49 0.68 0.59 0.00 0.00 0.00 175.10 176.78 2f54 n ASN 159 N 4.42 -2.32 -0.38 3.32 3.02 0.71 -1.74 115.26 122.29 2f54 n ASN 159 Ca -0.19 -0.95 -0.05 0.00 -0.03 0.00 0.00 54.58 53.36 2f54 n ASN 159 Cb 0.51 -3.20 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 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 -1.69 0.73 2.94 7.41 0.00 -1.26 -5.01 105.19 108.30 2f54 n GLY 160 Ca -0.11 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.94 1.15 0.19 1.61 1.02 -0.71 -5.10 119.74 115.95 2f54 s LYS 161 Ca 0.00 -0.22 -0.31 0.00 0.02 0.00 0.00 55.97 55.46 2f54 s LYS 161 Cb 0.00 -1.05 -0.11 0.00 -0.52 0.00 0.00 37.83 36.16 2f54 s LYS 161 CO 0.00 -0.04 1.59 -2.00 -0.92 0.00 0.00 175.35 173.98 2f54 s GLU 162 N 0.82 4.19 0.14 1.68 2.12 -1.26 -1.51 118.70 124.89 2f54 s GLU 162 Ca -0.12 2.42 0.08 0.00 0.36 0.00 0.00 54.97 57.71 2f54 s GLU 162 Cb -0.15 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2f54 s GLU 162 CO 0.01 -0.62 -0.10 0.54 -0.54 0.00 0.00 175.26 174.55 2f54 s VAL 163 N 0.98 3.25 0.00 3.70 0.11 -0.54 -4.91 120.40 122.99 2f54 s VAL 163 Ca 0.70 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2f54 s VAL 163 Cb -0.45 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2f54 s VAL 163 CO 0.33 -0.00 0.00 1.41 -3.33 0.00 0.00 175.10 173.51 2f54 n HIS 164 N 0.36 0.00 -2.09 1.54 8.25 -1.26 -4.50 115.22 117.52 2f54 n HIS 164 Ca -0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 2f54 n HIS 164 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2f54 n HIS 164 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2f54 s SER 165 N -2.42 6.74 0.00 0.41 0.15 -1.26 -2.51 113.70 114.81 2f54 s SER 165 Ca 0.00 2.34 0.00 0.00 0.70 0.00 0.00 55.95 58.99 2f54 s SER 165 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2f54 s SER 165 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2f54 n GLY 166 N 3.73 0.63 3.42 9.45 0.00 -1.26 -4.85 105.19 116.30 2f54 n GLY 166 Ca 0.14 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 2.51 -0.28 1.61 1.01 -1.04 -0.79 120.40 121.41 2f54 s VAL 167 Ca 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.47 2f54 s VAL 167 Cb 0.00 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.45 2f54 s VAL 167 CO 0.00 0.24 0.60 0.00 0.00 0.00 0.00 175.10 175.93 2f54 s THR 169 N 2.84 5.28 0.26 0.00 2.01 -1.26 -1.55 115.64 123.22 2f54 s THR 169 Ca 0.02 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2f54 s THR 169 Cb -0.13 -3.66 -0.14 0.00 0.01 0.00 0.00 72.50 68.58 2f54 s THR 169 CO -0.19 0.02 1.27 0.47 -0.69 0.00 0.00 174.62 175.50 2f54 n ASP 170 N -0.07 2.28 -0.14 3.53 8.00 -0.81 -4.81 116.55 124.53 2f54 n ASP 170 Ca -0.04 1.16 0.17 0.00 0.71 0.00 0.00 54.79 56.79 2f54 n ASP 170 Cb 0.52 -1.39 0.55 0.00 -0.02 0.00 0.00 41.12 40.79 2f54 n ASP 170 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2f54 h PRO 171 N 3.29 0.30 -3.13 -0.24 0.11 -1.96 -3.43 132.00 126.93 2f54 h PRO 171 Ca -0.44 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2f54 h PRO 171 Cb 1.30 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 2f54 h PRO 171 CO 0.69 0.20 -0.08 -1.14 -0.21 0.00 0.00 178.00 177.46 2f54 s GLN 172 N -5.31 0.98 0.91 1.05 0.74 -1.26 -5.17 119.66 111.60 2f54 s GLN 172 Ca -0.07 -0.47 -0.13 0.00 0.05 0.00 0.00 55.36 54.74 2f54 s GLN 172 Cb 0.21 0.44 0.14 0.00 1.10 0.00 0.00 33.01 34.89 2f54 s GLN 172 CO 0.76 -0.36 1.19 -1.25 -0.55 0.00 0.00 175.29 175.08 2f54 s PRO 173 N -2.92 1.17 0.03 1.67 0.04 -1.26 -4.98 135.00 128.75 2f54 s PRO 173 Ca -0.03 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.15 2f54 s PRO 173 Cb 0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2f54 s PRO 173 CO -0.06 -2.13 -0.19 -0.48 0.04 0.00 0.00 177.00 174.18 2f54 s LEU 174 N -5.91 2.13 -0.04 -3.56 0.05 -0.60 -4.94 118.68 105.82 2f54 s LEU 174 Ca 0.66 -0.46 -0.30 0.00 0.05 0.00 0.00 54.13 54.07 2f54 s LEU 174 Cb -0.11 -0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 43.06 2f54 s LEU 174 CO 0.52 0.16 1.30 -0.54 -0.55 0.00 0.00 176.35 177.24 2f54 s LYS 175 N -0.97 4.31 0.34 1.48 1.02 -1.26 -1.13 119.74 123.53 2f54 s LYS 175 Ca 0.07 1.81 0.08 0.00 0.02 0.00 0.00 55.97 57.94 2f54 s LYS 175 Cb -0.08 -3.58 0.63 0.00 -0.52 0.00 0.00 37.83 34.28 2f54 s LYS 175 CO 0.01 -0.52 1.83 0.93 -0.92 0.00 0.00 175.35 176.67 2f54 h GLU 176 N 7.70 0.28 -2.50 1.68 5.08 -1.23 -3.30 114.58 122.28 2f54 h GLU 176 Ca -0.35 -0.09 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 2f54 h GLU 176 Cb 1.17 -0.03 -0.41 0.00 0.50 0.00 0.00 28.75 29.98 2f54 h GLU 176 CO 0.90 0.49 -0.74 1.04 -1.00 0.00 0.00 179.01 179.70 2f54 n GLN 177 N -4.18 1.54 -0.32 2.33 6.02 -1.26 -4.98 117.38 116.53 2f54 n GLN 177 Ca -0.01 -4.09 0.36 0.00 -0.01 0.00 0.00 57.00 53.25 2f54 n GLN 177 Cb 0.35 -1.98 0.74 0.00 1.02 0.00 0.00 30.24 30.36 2f54 n GLN 177 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2f54 h PRO 178 N 4.84 0.00 -0.43 -1.09 0.11 -1.95 0.13 132.00 133.61 2f54 h PRO 178 Ca 0.17 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2f54 h PRO 178 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 2f54 h PRO 178 CO 0.65 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2f54 h ALA 179 N 1.29 0.58 -2.72 -0.75 0.00 -1.94 -3.45 119.26 112.28 2f54 h ALA 179 Ca 0.57 -0.27 -0.51 0.00 0.00 0.00 0.00 54.91 54.70 2f54 h ALA 179 Cb 2.41 -0.16 0.09 0.00 0.00 0.00 0.00 17.79 20.13 2f54 h ALA 179 CO -0.01 0.38 0.46 -0.51 0.00 0.00 0.00 179.25 179.57 2f54 s LEU 180 N -9.40 3.74 -0.03 0.00 1.43 0.44 -4.98 118.68 109.87 2f54 s LEU 180 Ca -0.13 2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 55.04 2f54 s LEU 180 Cb 0.11 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.61 2f54 s LEU 180 CO 0.80 -1.36 0.98 -1.13 0.23 0.00 0.00 176.35 175.87 2f54 h ASN 181 N 1.15 -0.24 -0.83 2.29 -0.00 -1.86 -3.33 115.58 112.76 2f54 h ASN 181 Ca -0.50 -0.29 -0.54 0.00 -0.00 0.00 0.00 56.30 54.97 2f54 h ASN 181 Cb 1.28 0.06 -0.23 0.00 -0.00 0.00 0.00 38.32 39.43 2f54 h ASN 181 CO 0.56 0.26 0.69 -0.90 -0.00 0.00 0.00 177.43 178.04 2f54 n ASP 182 N -4.99 7.19 -4.77 1.15 5.75 -1.26 -5.01 116.55 114.61 2f54 n ASP 182 Ca -0.08 -3.49 -0.40 0.00 -0.01 0.00 0.00 54.79 50.81 2f54 n ASP 182 Cb 0.26 -1.02 0.02 0.00 -1.03 0.00 0.00 41.12 39.35 2f54 n ASP 182 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2f54 s SER 183 N -0.95 5.81 0.66 -1.12 0.15 -1.25 -4.98 113.70 112.01 2f54 s SER 183 Ca 0.51 2.93 -0.12 0.00 0.70 0.00 0.00 55.95 59.98 2f54 s SER 183 Cb 0.40 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2f54 s SER 183 CO -0.03 -1.22 1.05 -0.13 1.20 0.00 0.00 173.24 174.11 2f54 s ARG 184 N -2.49 3.16 0.31 5.44 0.52 -1.26 -4.81 118.95 119.83 2f54 s ARG 184 Ca 0.62 0.94 0.08 0.00 -0.52 0.00 0.00 55.73 56.85 2f54 s ARG 184 Cb -0.44 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2f54 s ARG 184 CO 0.56 -0.92 0.19 0.71 0.02 0.00 0.00 175.30 175.86 2f54 s TYR 185 N -2.99 2.85 0.08 -0.53 2.02 0.54 -0.71 117.35 118.60 2f54 s TYR 185 Ca 0.58 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2f54 s TYR 185 Cb -0.13 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2f54 s TYR 185 CO 0.52 0.35 -0.06 0.00 -1.57 0.00 0.00 175.55 174.79 2f54 s ALA 186 N -2.32 0.81 -0.22 3.71 0.00 -0.28 -1.50 121.76 121.96 2f54 s ALA 186 Ca 0.37 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2f54 s ALA 186 Cb -0.05 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.29 2f54 s ALA 186 CO 0.24 -0.21 0.54 -1.17 0.00 0.00 0.00 175.76 175.16 2f54 s LEU 187 N -2.71 -0.41 0.06 0.00 2.96 0.18 -1.56 118.68 117.19 2f54 s LEU 187 Ca 0.06 1.17 0.07 0.00 -0.22 0.00 0.00 54.13 55.21 2f54 s LEU 187 Cb 0.02 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.53 2f54 s LEU 187 CO -0.04 -0.21 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.69 2f54 s SER 188 N 1.25 4.04 0.02 3.68 1.04 -1.26 0.09 113.70 122.56 2f54 s SER 188 Ca -0.08 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2f54 s SER 188 Cb -0.06 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.33 2f54 s SER 188 CO -0.13 0.24 -0.03 -0.55 0.98 0.00 0.00 173.24 173.75 2f54 s SER 189 N -1.67 0.27 -0.05 7.02 0.15 0.56 -1.93 113.70 118.05 2f54 s SER 189 Ca 0.17 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.51 2f54 s SER 189 Cb -0.11 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2f54 s SER 189 CO 0.08 -0.20 -0.24 -0.13 1.20 0.00 0.00 173.24 173.95 2f54 s ARG 190 N -1.05 2.52 -0.21 5.44 3.00 -0.60 -0.47 118.95 127.57 2f54 s ARG 190 Ca -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 55.73 54.75 2f54 s ARG 190 Cb -0.07 -2.18 0.05 0.00 0.00 0.00 0.00 34.95 32.75 2f54 s ARG 190 CO -0.01 0.41 -0.09 -1.17 0.00 0.00 0.00 175.30 174.45 2f54 s LEU 191 N -0.24 2.47 -0.22 2.53 2.96 0.18 -1.95 118.68 124.42 2f54 s LEU 191 Ca -0.01 -1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 52.83 2f54 s LEU 191 Cb -0.13 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2f54 s LEU 191 CO 0.03 -0.17 0.02 -0.60 -1.32 0.00 0.00 176.35 174.31 2f54 s ARG 192 N 1.37 3.61 0.46 1.98 3.52 0.03 -0.17 118.95 129.74 2f54 s ARG 192 Ca -0.03 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.10 2f54 s ARG 192 Cb -0.17 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2f54 s ARG 192 CO -0.07 -0.07 0.08 0.14 -0.81 0.00 0.00 175.30 174.57 2f54 s VAL 193 N 1.23 1.75 0.48 7.11 -7.23 0.15 -4.67 120.40 119.21 2f54 s VAL 193 Ca 0.04 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 2f54 s VAL 193 Cb -0.15 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 2f54 s VAL 193 CO 0.02 0.00 1.00 -0.94 -0.31 0.00 0.00 175.10 174.86 2f54 s SER 194 N -3.86 6.56 0.13 4.85 1.04 -1.26 0.34 113.70 121.50 2f54 s SER 194 Ca 0.26 1.77 -0.33 0.00 0.48 0.00 0.00 55.95 58.13 2f54 s SER 194 Cb 0.05 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 2f54 s SER 194 CO 0.14 -0.63 1.55 0.00 0.98 0.00 0.00 173.24 175.29 2f54 h ALA 195 N 1.49 -0.83 -1.14 5.32 0.00 -1.66 0.30 119.26 122.73 2f54 h ALA 195 Ca -0.49 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 54.72 2f54 h ALA 195 Cb 1.20 1.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.99 2f54 h ALA 195 CO 0.60 -1.07 0.77 1.79 0.00 0.00 0.00 179.25 181.34 2f54 h THR 196 N -0.47 0.42 0.15 0.00 1.35 -1.93 0.37 112.91 112.80 2f54 h THR 196 Ca 0.06 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 2f54 h THR 196 Cb 0.63 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2f54 h THR 196 CO -0.53 0.04 -0.07 0.15 -0.25 0.00 0.00 175.52 174.85 2f54 h PHE 197 N 0.20 -0.18 -0.18 4.73 3.57 -1.34 -3.13 116.94 120.61 2f54 h PHE 197 Ca 0.62 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.15 2f54 h PHE 197 Cb 1.95 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 2f54 h PHE 197 CO -0.00 0.26 0.12 2.35 -2.23 0.00 0.00 178.31 178.82 2f54 h TRP 198 N -0.77 0.04 -0.02 0.41 2.91 -0.33 -1.47 115.95 116.72 2f54 h TRP 198 Ca -0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2f54 h TRP 198 Cb 0.53 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 2f54 h TRP 198 CO 0.08 0.03 0.00 1.04 -1.03 0.00 0.00 178.44 178.56 2f54 n GLN 199 N -4.49 1.08 -3.40 2.65 6.02 -0.02 -0.71 117.38 118.50 2f54 n GLN 199 Ca 0.01 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 2f54 n GLN 199 Cb 0.23 -1.31 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.60 6.16 0.66 1.08 2.15 -0.56 -3.14 116.67 121.43 2f54 s ASP 200 Ca 0.29 -0.48 0.43 0.00 0.43 0.00 0.00 52.55 53.22 2f54 s ASP 200 Cb 0.14 -2.19 2.37 0.00 -0.30 0.00 0.00 42.92 42.93 2f54 s ASP 200 CO 0.23 -0.41 2.36 -0.65 -0.17 0.00 0.00 175.17 176.52 2f54 h PRO 201 N 8.57 0.00 -0.09 4.34 0.11 -1.84 -2.30 132.00 140.80 2f54 h PRO 201 Ca -0.29 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 2f54 h PRO 201 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2f54 h PRO 201 CO 0.72 0.00 -0.54 -0.09 -0.21 0.00 0.00 178.00 177.88 2f54 h ARG 202 N 0.00 0.24 -6.53 1.05 2.43 -1.93 -3.39 114.38 106.26 2f54 h ARG 202 Ca 0.00 -0.15 -0.53 0.00 -0.81 0.00 0.00 59.98 58.49 2f54 h ARG 202 Cb 0.02 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2f54 h ARG 202 CO -0.00 0.72 0.98 -0.80 -1.51 0.00 0.00 179.97 179.36 2f54 s ASN 203 N -6.89 6.55 -0.19 -3.80 0.01 -0.86 -4.91 114.94 104.84 2f54 s ASN 203 Ca -0.04 2.61 -0.04 0.00 -0.71 0.00 0.00 52.86 54.68 2f54 s ASN 203 Cb 0.12 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 2f54 s ASN 203 CO 0.79 -0.89 -0.04 -2.28 -1.51 0.00 0.00 177.10 173.17 2f54 s HIS 204 N 2.02 2.97 -0.02 2.20 5.65 -1.26 -1.18 115.29 125.66 2f54 s HIS 204 Ca 0.74 -0.66 0.04 0.00 0.25 0.00 0.00 55.06 55.43 2f54 s HIS 204 Cb -0.43 -2.04 -0.03 0.00 -1.18 0.00 0.00 32.58 28.90 2f54 s HIS 204 CO 0.32 -0.34 -0.14 -0.06 -0.65 0.00 0.00 174.74 173.88 2f54 s PHE 205 N 1.02 2.70 -0.14 3.88 0.08 0.01 -0.21 117.98 125.32 2f54 s PHE 205 Ca 0.01 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 2f54 s PHE 205 Cb -0.15 -1.59 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2f54 s PHE 205 CO 0.00 0.23 0.36 0.50 -0.10 0.00 0.00 175.22 176.22 2f54 s ARG 206 N -1.00 0.39 -0.21 0.44 3.52 -0.19 -0.61 118.95 121.30 2f54 s ARG 206 Ca 0.13 0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2f54 s ARG 206 Cb -0.11 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.42 2f54 s ARG 206 CO 0.03 -0.09 -0.13 0.00 -0.81 0.00 0.00 175.30 174.30 2f54 s GLN 208 N 1.31 1.93 -0.18 0.00 -2.07 -0.06 -1.72 119.66 118.87 2f54 s GLN 208 Ca 0.03 -1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 52.47 2f54 s GLN 208 Cb -0.15 -2.17 0.05 0.00 -1.09 0.00 0.00 33.01 29.65 2f54 s GLN 208 CO -0.08 0.50 -0.04 0.08 -1.32 0.00 0.00 175.29 174.43 2f54 s VAL 209 N -1.09 1.11 -0.13 3.63 1.01 -0.60 -1.55 120.40 122.78 2f54 s VAL 209 Ca 0.17 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 2f54 s VAL 209 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2f54 s VAL 209 CO 0.09 0.04 0.71 -1.58 0.00 0.00 0.00 175.10 174.37 2f54 s GLN 210 N 1.62 4.33 -0.06 2.72 2.00 -0.32 -1.35 119.66 128.61 2f54 s GLN 210 Ca -0.01 0.84 0.04 0.00 -2.00 0.00 0.00 55.36 54.24 2f54 s GLN 210 Cb -0.16 -3.52 -0.02 0.00 0.80 0.00 0.00 33.01 30.11 2f54 s GLN 210 CO -0.07 -0.13 -0.19 0.12 -0.50 0.00 0.00 175.29 174.52 2f54 s PHE 211 N 1.49 2.59 -0.35 1.67 5.36 0.98 -1.60 117.98 128.11 2f54 s PHE 211 Ca 0.35 -0.40 -0.06 0.00 -0.96 0.00 0.00 56.93 55.86 2f54 s PHE 211 Cb -0.17 -1.63 0.05 0.00 -0.34 0.00 0.00 43.02 40.94 2f54 s PHE 211 CO 0.14 0.00 0.12 0.71 -1.46 0.00 0.00 175.22 174.73 2f54 s TYR 212 N -0.44 3.30 0.00 10.12 1.51 -0.96 -0.83 117.35 130.06 2f54 s TYR 212 Ca 0.05 -1.61 0.00 0.00 -1.01 0.00 0.00 57.07 54.50 2f54 s TYR 212 Cb -0.12 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 2f54 s TYR 212 CO 0.02 -0.78 0.00 0.41 -1.11 0.00 0.00 175.55 174.08 2f54 n GLY 213 N 4.78 2.69 3.80 0.71 0.00 -1.26 -4.73 105.19 111.18 2f54 n GLY 213 Ca -0.11 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 4.19 0.08 0.99 1.43 -0.91 -4.43 118.68 120.03 2f54 s LEU 214 Ca 0.00 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.56 2f54 s LEU 214 Cb 0.00 -4.20 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 2f54 s LEU 214 CO 0.00 -0.18 1.33 -0.44 0.23 0.00 0.00 176.35 177.29 2f54 s SER 215 N -1.83 6.91 0.31 2.29 0.01 -1.26 -3.24 113.70 116.88 2f54 s SER 215 Ca 0.54 2.19 0.18 0.00 1.31 0.00 0.00 55.95 60.18 2f54 s SER 215 Cb -0.15 -2.58 1.10 0.00 0.21 0.00 0.00 66.02 64.60 2f54 s SER 215 CO 0.20 -0.60 1.26 1.21 0.41 0.00 0.00 173.24 175.71 2f54 n GLU 216 N 4.11 -0.04 -0.30 12.44 4.07 -1.26 0.02 120.64 139.69 2f54 n GLU 216 Ca 0.11 1.08 0.01 0.00 -0.06 0.00 0.00 57.16 58.30 2f54 n GLU 216 Cb 0.44 -1.97 0.12 0.00 -0.06 0.00 0.00 31.44 29.97 2f54 n GLU 216 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2f54 n ASN 217 N -4.70 2.59 -4.86 4.31 4.13 -1.26 -4.91 115.26 110.55 2f54 n ASN 217 Ca 0.31 -2.32 -0.33 0.00 1.68 0.00 0.00 54.58 53.92 2f54 n ASN 217 Cb 1.07 -0.56 -0.06 0.00 -1.54 0.00 0.00 39.78 38.69 2f54 n ASN 217 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2f54 s ASP 218 N -0.19 6.69 0.45 6.41 1.01 0.10 -5.05 116.67 126.10 2f54 s ASP 218 Ca 0.17 1.02 -0.24 0.00 0.71 0.00 0.00 52.55 54.21 2f54 s ASP 218 Cb 0.13 -2.27 -0.08 0.00 1.01 0.00 0.00 42.92 41.72 2f54 s ASP 218 CO 0.05 -0.07 1.29 -0.70 0.21 0.00 0.00 175.17 175.95 2f54 s GLU 219 N -2.69 3.73 -0.28 8.23 2.12 -1.26 -5.00 118.70 123.54 2f54 s GLU 219 Ca 0.47 2.11 -0.22 0.00 0.36 0.00 0.00 54.97 57.69 2f54 s GLU 219 Cb -0.12 -2.57 0.11 0.00 0.26 0.00 0.00 34.13 31.81 2f54 s GLU 219 CO 0.20 -0.67 0.90 -0.46 -0.54 0.00 0.00 175.26 174.69 2f54 s TRP 220 N -1.33 -0.65 -0.44 5.30 -0.11 -1.26 -5.01 118.94 115.44 2f54 s TRP 220 Ca 0.62 1.48 0.06 0.00 1.22 0.00 0.00 56.10 59.48 2f54 s TRP 220 Cb -0.37 0.38 0.18 0.00 -1.50 0.00 0.00 33.47 32.16 2f54 s TRP 220 CO 0.46 -0.32 0.58 0.95 -4.62 0.00 0.00 176.95 174.00 2f54 s THR 221 N 0.69 -0.71 -0.15 5.86 -4.23 -1.26 -5.11 115.64 110.72 2f54 s THR 221 Ca -0.02 -0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 2f54 s THR 221 Cb -0.05 -0.28 0.04 0.00 1.34 0.00 0.00 72.50 73.56 2f54 s THR 221 CO -0.08 -0.26 0.40 -1.10 -0.54 0.00 0.00 174.62 173.04 2f54 s GLN 222 N 1.24 0.46 -1.17 3.99 -1.52 -1.26 -5.04 119.66 116.36 2f54 s GLN 222 Ca 0.23 0.58 -0.22 0.00 -1.95 0.00 0.00 55.36 53.99 2f54 s GLN 222 Cb -0.04 0.20 -0.08 0.00 -0.22 0.00 0.00 33.01 32.86 2f54 s GLN 222 CO -0.07 -0.07 1.92 -0.25 -0.25 0.00 0.00 175.29 176.58 2f54 n ASP 223 N 3.03 3.18 -3.65 5.90 9.92 -1.26 -4.61 116.55 129.07 2f54 n ASP 223 Ca -0.14 -2.71 -0.02 0.00 -0.53 0.00 0.00 54.79 51.38 2f54 n ASP 223 Cb 0.57 -1.71 -0.07 0.00 -0.64 0.00 0.00 41.12 39.28 2f54 n ASP 223 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2f54 s ARG 224 N 6.20 0.07 0.11 -1.24 3.00 -1.26 -5.13 118.95 120.70 2f54 s ARG 224 Ca 0.67 0.09 -0.31 0.00 -1.00 0.00 0.00 55.73 55.18 2f54 s ARG 224 Cb 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 34.95 34.88 2f54 s ARG 224 CO 0.13 -0.01 1.87 0.00 0.00 0.00 0.00 175.30 177.29 2f54 s ALA 225 N 0.28 3.73 -0.55 6.12 0.00 -1.26 -4.82 121.76 125.25 2f54 s ALA 225 Ca 0.04 1.43 -0.40 0.00 0.00 0.00 0.00 51.96 53.03 2f54 s ALA 225 Cb -0.04 -3.78 -0.18 0.00 0.00 0.00 0.00 23.12 19.12 2f54 s ALA 225 CO -0.14 -1.31 2.25 1.17 0.00 0.00 0.00 175.76 177.73 2f54 n LYS 226 N 6.09 0.26 -0.04 0.00 4.81 -1.26 -4.68 118.16 123.34 2f54 n LYS 226 Ca 0.18 0.06 -0.01 0.00 -0.87 0.00 0.00 58.31 57.68 2f54 n LYS 226 Cb 0.39 -1.76 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 2f54 n LYS 226 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2f54 n PRO 227 N 7.85 0.09 -1.63 1.64 -0.04 -1.26 -4.86 135.00 136.79 2f54 n PRO 227 Ca 0.53 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 2f54 n PRO 227 Cb 0.05 -1.74 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.79 3.48 0.26 0.52 -7.23 -1.26 -2.14 120.40 117.81 2f54 s VAL 228 Ca 0.02 0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 60.37 2f54 s VAL 228 Cb 0.01 -3.28 -0.14 0.00 0.56 0.00 0.00 36.38 33.53 2f54 s VAL 228 CO -0.00 -0.63 1.26 0.41 -0.31 0.00 0.00 175.10 175.83 2f54 n THR 229 N -3.25 1.33 -3.84 5.32 -1.04 -1.20 -4.51 114.28 107.09 2f54 n THR 229 Ca 0.07 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.05 61.74 2f54 n THR 229 Cb 0.56 -1.28 0.01 0.00 -1.82 0.00 0.00 70.33 67.80 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 1.45 0.38 -5.08 -2.82 10.64 -0.01 -4.89 117.38 117.06 2f54 n GLN 230 Ca 0.11 -0.96 -0.29 0.00 -1.83 0.00 0.00 57.00 54.03 2f54 n GLN 230 Cb 0.31 1.35 -0.16 0.00 -0.86 0.00 0.00 30.24 30.87 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 -2.15 1.79 -0.11 -0.39 1.01 -1.26 -0.02 121.20 120.08 2f54 s ILE 231 Ca 0.19 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2f54 s ILE 231 Cb -0.02 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2f54 s ILE 231 CO 0.03 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.69 2f54 s VAL 232 N -0.05 1.10 0.03 2.92 1.01 -0.45 -4.98 120.40 119.98 2f54 s VAL 232 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2f54 s VAL 232 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2f54 s VAL 232 CO 0.03 0.37 -0.05 -0.94 0.00 0.00 0.00 175.10 174.52 2f54 s SER 233 N 1.47 0.47 0.14 3.32 1.04 -1.26 -1.56 113.70 117.31 2f54 s SER 233 Ca 0.01 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 55.97 2f54 s SER 233 Cb -0.13 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2f54 s SER 233 CO -0.06 -0.28 -0.19 0.00 0.98 0.00 0.00 173.24 173.69 2f54 s ALA 234 N -1.58 1.89 0.20 5.32 0.00 -0.70 -4.96 121.76 121.94 2f54 s ALA 234 Ca -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2f54 s ALA 234 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2f54 s ALA 234 CO -0.01 0.28 0.09 -1.83 0.00 0.00 0.00 175.76 174.29 2f54 s GLU 235 N -2.41 1.21 0.10 0.00 -1.05 -1.26 -0.19 118.70 115.10 2f54 s GLU 235 Ca 0.11 -1.63 -0.16 0.00 -0.15 0.00 0.00 54.97 53.14 2f54 s GLU 235 Cb -0.07 0.04 0.03 0.00 -0.44 0.00 0.00 34.13 33.69 2f54 s GLU 235 CO 0.05 -0.31 0.40 0.00 0.95 0.00 0.00 175.26 176.35 2f54 s ALA 236 N -3.96 -0.93 0.08 -0.84 0.00 0.23 -4.82 121.76 111.51 2f54 s ALA 236 Ca 0.35 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.44 2f54 s ALA 236 Cb 0.07 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2f54 s ALA 236 CO 0.10 -0.58 -0.24 -1.58 0.00 0.00 0.00 175.76 173.47 2f54 s TRP 237 N -3.36 2.05 0.68 0.00 0.52 -1.26 -0.81 118.94 116.75 2f54 s TRP 237 Ca 0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.56 2f54 s TRP 237 Cb 0.01 -1.18 0.01 0.00 -1.15 0.00 0.00 33.47 31.16 2f54 s TRP 237 CO -0.09 0.18 1.27 0.20 0.02 0.00 0.00 176.95 178.54 2f54 s GLY 238 N -1.54 2.72 -0.01 0.98 0.00 -0.33 -4.99 107.32 104.16 2f54 s GLY 238 Ca 0.10 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2f54 s GLY 238 CO 0.03 1.56 -0.01 0.50 0.00 0.00 0.00 173.10 175.19 2f54 s ARG 239 N -3.52 0.12 -1.44 2.90 0.52 0.11 -3.97 118.95 113.67 2f54 s ARG 239 Ca 0.81 -0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.92 2f54 s ARG 239 Cb -0.36 -0.17 0.04 0.00 0.52 0.00 0.00 34.95 34.99 2f54 s ARG 239 CO 0.41 -0.00 2.55 0.00 0.02 0.00 0.00 175.30 178.28 2f54 n ALA 240 N 3.26 6.89 -0.27 2.13 0.00 -1.19 -3.82 120.51 127.52 2f54 n ALA 240 Ca -0.15 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2f54 n ALA 240 Cb 0.58 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.96 2f54 n ALA 240 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10