#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdx s LEU 1 N 0.00 0.65 -0.02 2.46 2.96 -1.26 -4.98 118.68 118.49 2rdx s LEU 1 Ca 0.00 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2rdx s LEU 1 Cb 0.00 1.48 0.01 0.00 0.50 0.00 0.00 46.19 48.18 2rdx s LEU 1 CO 0.00 -0.54 0.05 -0.13 -1.32 0.00 0.00 176.35 174.42 2rdx s ARG 2 N -1.78 0.05 -0.06 1.98 0.52 -1.26 -3.98 118.95 114.41 2rdx s ARG 2 Ca -0.10 0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.91 2rdx s ARG 2 Cb -0.03 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2rdx s ARG 2 CO 0.02 -0.03 1.31 0.42 0.02 0.00 0.00 175.30 177.03 2rdx s ILE 3 N 0.21 4.05 -0.02 1.52 1.01 -0.02 -1.68 121.20 126.26 2rdx s ILE 3 Ca -0.02 1.36 0.11 0.00 0.00 0.00 0.00 60.65 62.11 2rdx s ILE 3 Cb -0.02 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 2rdx s ILE 3 CO -0.01 -0.04 0.24 0.35 0.00 0.00 0.00 174.94 175.49 2rdx n THR 4 N 4.85 0.02 -3.67 2.92 -2.24 0.18 -0.60 114.28 115.74 2rdx n THR 4 Ca 0.13 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2rdx n THR 4 Cb 0.45 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 2rdx n THR 4 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rdx s ARG 5 N -2.77 0.68 -0.08 -0.78 3.52 -1.19 -1.63 118.95 116.70 2rdx s ARG 5 Ca -0.04 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 2rdx s ARG 5 Cb 0.07 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.79 2rdx s ARG 5 CO 0.47 -0.09 -0.09 0.42 -0.81 0.00 0.00 175.30 175.20 2rdx s ILE 6 N 0.44 1.00 -0.03 4.11 1.01 0.24 -0.77 121.20 127.20 2rdx s ILE 6 Ca -0.01 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.33 2rdx s ILE 6 Cb -0.04 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2rdx s ILE 6 CO -0.01 0.34 -0.16 -0.13 0.00 0.00 0.00 174.94 174.98 2rdx s ARG 7 N 1.06 1.48 -0.15 2.79 0.52 -0.34 -0.94 118.95 123.37 2rdx s ARG 7 Ca -0.08 -0.58 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2rdx s ARG 7 Cb -0.14 -1.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 2rdx s ARG 7 CO -0.01 0.30 -0.04 -1.17 0.02 0.00 0.00 175.30 174.40 2rdx s LEU 8 N -0.18 3.24 0.08 2.53 2.96 -0.78 -0.57 118.68 125.96 2rdx s LEU 8 Ca 0.02 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 2rdx s LEU 8 Cb -0.08 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2rdx s LEU 8 CO 0.00 0.19 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.71 2rdx s TYR 9 N 0.26 2.50 -0.05 5.38 2.02 0.12 -1.01 117.35 126.57 2rdx s TYR 9 Ca -0.03 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2rdx s TYR 9 Cb -0.14 -1.39 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 2rdx s TYR 9 CO 0.03 0.30 -0.07 0.15 -1.57 0.00 0.00 175.55 174.39 2rdx s LYS 10 N -1.77 1.15 0.01 -0.62 1.02 -1.26 -0.94 119.74 117.33 2rdx s LYS 10 Ca 0.16 -0.22 -0.09 0.00 0.02 0.00 0.00 55.97 55.83 2rdx s LYS 10 Cb -0.10 -1.05 0.01 0.00 -0.52 0.00 0.00 37.83 36.16 2rdx s LYS 10 CO 0.07 -0.04 0.19 -0.08 -0.92 0.00 0.00 175.35 174.56 2rdx s THR 11 N 0.83 0.09 -0.02 2.17 -1.32 -1.11 -4.84 115.64 111.44 2rdx s THR 11 Ca -0.12 -0.70 -0.24 0.00 -1.21 0.00 0.00 61.69 59.41 2rdx s THR 11 Cb -0.15 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 2rdx s THR 11 CO 0.01 -0.39 0.74 -1.81 -2.21 0.00 0.00 174.62 170.97 2rdx s ASP 12 N -1.56 7.10 -0.46 8.08 1.01 -1.26 -0.90 116.67 128.69 2rdx s ASP 12 Ca -0.12 1.32 0.02 0.00 0.71 0.00 0.00 52.55 54.48 2rdx s ASP 12 Cb -0.05 -2.44 0.12 0.00 1.01 0.00 0.00 42.92 41.56 2rdx s ASP 12 CO 0.01 -0.07 0.21 -0.76 0.21 0.00 0.00 175.17 174.78 2rdx s LEU 13 N 0.44 4.78 0.29 1.23 1.43 -0.07 -4.84 118.68 121.93 2rdx s LEU 13 Ca 0.39 -2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 50.65 2rdx s LEU 13 Cb -0.19 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.23 2rdx s LEU 13 CO 0.21 -0.35 1.07 -2.84 0.23 0.00 0.00 176.35 174.66 2rdx s PRO 14 N 0.37 4.60 0.31 1.29 0.02 -1.26 -1.77 135.00 138.55 2rdx s PRO 14 Ca 0.14 1.71 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 2rdx s PRO 14 Cb -0.22 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.10 2rdx s PRO 14 CO -0.04 0.21 1.14 -0.47 -0.33 0.00 0.00 177.00 177.51 2rdx s TYR 15 N -1.25 3.42 0.36 6.54 5.04 -0.44 -1.78 117.35 129.24 2rdx s TYR 15 Ca 0.46 1.63 0.04 0.00 -2.44 0.00 0.00 57.07 56.76 2rdx s TYR 15 Cb -0.29 -3.36 0.69 0.00 0.35 0.00 0.00 41.96 39.35 2rdx s TYR 15 CO 0.37 -0.87 2.00 -0.39 -1.34 0.00 0.00 175.55 175.32 2rdx h VAL 16 N 2.98 1.10 -0.61 3.14 -1.51 -1.60 -2.25 116.25 117.51 2rdx h VAL 16 Ca -0.47 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 64.57 2rdx h VAL 16 Cb 1.22 0.24 -0.09 0.00 -2.13 0.00 0.00 31.29 30.53 2rdx h VAL 16 CO 0.66 0.15 0.16 0.47 -1.23 0.00 0.00 177.57 177.78 2rdx n ASP 17 N -4.46 4.59 -0.31 4.19 9.92 -1.26 -5.05 116.55 124.18 2rdx n ASP 17 Ca 0.08 -3.21 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 2rdx n ASP 17 Cb 0.11 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 2rdx n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rdx n GLY 18 N -0.21 -3.57 0.00 0.44 0.00 -0.85 -5.25 105.19 95.75 2rdx n GLY 18 Ca 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2rdx n GLY 18 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rdx n THR 29 N -0.40 0.00 -3.97 2.61 5.66 -1.26 -4.90 114.28 112.03 2rdx n THR 29 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 2rdx n THR 29 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 2rdx n THR 29 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2rdx s VAL 30 N -0.47 0.31 0.02 1.08 1.01 -1.26 -1.33 120.40 119.76 2rdx s VAL 30 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2rdx s VAL 30 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2rdx s VAL 30 CO 0.00 0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.45 2rdx s ALA 31 N 1.19 3.85 -0.40 5.51 0.00 -0.73 -4.90 121.76 126.28 2rdx s ALA 31 Ca -0.07 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 2rdx s ALA 31 Cb -0.14 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.24 2rdx s ALA 31 CO -0.02 0.76 0.35 0.50 0.00 0.00 0.00 175.76 177.35 2rdx s ARG 32 N -2.11 3.16 0.28 0.00 3.00 -1.26 -0.90 118.95 121.13 2rdx s ARG 32 Ca 0.29 -0.79 -0.19 0.00 -1.00 0.00 0.00 55.73 54.03 2rdx s ARG 32 Cb -0.13 -3.93 -0.09 0.00 0.00 0.00 0.00 34.95 30.81 2rdx s ARG 32 CO 0.21 -0.72 0.78 0.00 0.00 0.00 0.00 175.30 175.56 2rdx s ALA 33 N 1.90 3.33 -0.21 6.12 0.00 -0.07 -4.35 121.76 128.47 2rdx s ALA 33 Ca 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2rdx s ALA 33 Cb -0.18 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 20.12 2rdx s ALA 33 CO 0.12 0.29 -0.04 -1.12 0.00 0.00 0.00 175.76 175.01 2rdx s SER 34 N -1.86 3.49 -0.13 0.00 0.01 -0.27 -2.76 113.70 112.17 2rdx s SER 34 Ca 0.49 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 2rdx s SER 34 Cb -0.14 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 2rdx s SER 34 CO 0.20 -0.23 -0.05 -0.69 0.41 0.00 0.00 173.24 172.87 2rdx s VAL 35 N 1.52 3.77 -0.16 3.43 1.01 -0.12 -1.20 120.40 128.65 2rdx s VAL 35 Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2rdx s VAL 35 Cb -0.18 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2rdx s VAL 35 CO -0.07 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 2rdx s VAL 36 N 0.04 3.58 -0.17 2.92 1.01 -0.22 0.16 120.40 127.73 2rdx s VAL 36 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2rdx s VAL 36 Cb -0.14 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2rdx s VAL 36 CO 0.03 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2rdx s VAL 37 N 0.52 2.24 -0.18 2.92 1.01 0.27 -1.85 120.40 125.34 2rdx s VAL 37 Ca -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 2rdx s VAL 37 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2rdx s VAL 37 CO 0.03 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 2rdx s ILE 38 N 1.07 2.69 0.09 2.22 1.01 0.76 -1.20 121.20 127.84 2rdx s ILE 38 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2rdx s ILE 38 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2rdx s ILE 38 CO -0.07 0.50 0.15 -1.81 0.00 0.00 0.00 174.94 173.71 2rdx s ASP 39 N 1.07 5.89 0.35 3.58 1.01 0.05 -0.92 116.67 127.70 2rdx s ASP 39 Ca -0.00 0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.41 2rdx s ASP 39 Cb -0.14 -1.68 -0.07 0.00 1.01 0.00 0.00 42.92 42.03 2rdx s ASP 39 CO -0.04 0.15 0.01 0.42 0.21 0.00 0.00 175.17 175.92 2rdx s THR 40 N -1.50 1.67 -0.75 -1.27 -4.23 -1.00 -0.65 115.64 107.92 2rdx s THR 40 Ca 0.32 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 59.02 2rdx s THR 40 Cb -0.12 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.12 2rdx s THR 40 CO 0.25 -0.06 1.69 -0.90 -0.54 0.00 0.00 174.62 175.05 2rdx n ASP 41 N -0.80 0.41 -0.75 3.99 5.75 -0.68 -1.54 116.55 122.94 2rdx n ASP 41 Ca -0.04 0.58 0.13 0.00 -0.01 0.00 0.00 54.79 55.45 2rdx n ASP 41 Cb 0.66 -0.67 0.29 0.00 -1.03 0.00 0.00 41.12 40.37 2rdx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rdx n ALA 42 N -1.66 2.51 -0.91 2.12 0.00 -1.26 -4.96 120.51 116.34 2rdx n ALA 42 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2rdx n ALA 42 Cb 0.27 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2rdx n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 43 N 1.27 0.51 3.69 0.00 0.00 -0.59 -5.03 105.19 105.05 2rdx n GLY 43 Ca 0.16 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2rdx n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rdx s LEU 44 N 0.00 4.28 -0.14 0.99 1.43 -1.26 -4.85 118.68 119.13 2rdx s LEU 44 Ca 0.00 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2rdx s LEU 44 Cb 0.00 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2rdx s LEU 44 CO 0.00 -0.36 -0.10 -1.58 0.23 0.00 0.00 176.35 174.54 2rdx s GLN 45 N 1.65 3.47 0.06 1.70 0.74 -1.26 -2.37 119.66 123.65 2rdx s GLN 45 Ca 0.47 -0.62 0.08 0.00 0.05 0.00 0.00 55.36 55.34 2rdx s GLN 45 Cb -0.19 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 2rdx s GLN 45 CO 0.20 0.24 -0.20 0.20 -0.55 0.00 0.00 175.29 175.17 2rdx s GLY 46 N 0.32 1.57 0.09 2.59 0.00 -0.10 -4.78 107.32 107.02 2rdx s GLY 46 Ca -0.08 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.41 2rdx s GLY 46 CO 0.05 -1.18 -0.10 0.00 0.00 0.00 0.00 173.10 171.87 2rdx s GLY 48 N -2.40 -0.26 -0.01 0.00 0.00 -0.77 -3.22 107.32 100.66 2rdx s GLY 48 Ca 0.05 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.97 2rdx s GLY 48 CO -0.00 -0.06 -0.02 1.85 0.00 0.00 0.00 173.10 174.86 2rdx s GLU 49 N -2.80 0.28 -0.11 2.90 2.12 -1.26 -1.06 118.70 118.77 2rdx s GLU 49 Ca -0.03 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2rdx s GLU 49 Cb -0.00 -0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.07 2rdx s GLU 49 CO -0.05 0.01 -0.17 0.12 -0.54 0.00 0.00 175.26 174.63 2rdx s PHE 50 N 0.27 2.09 -0.10 5.30 5.36 -0.34 -4.52 117.98 126.03 2rdx s PHE 50 Ca -0.02 -0.97 -0.02 0.00 -0.96 0.00 0.00 56.93 54.95 2rdx s PHE 50 Cb -0.05 -1.48 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 2rdx s PHE 50 CO -0.01 -0.47 0.03 0.99 -1.46 0.00 0.00 175.22 174.30 2rdx s THR 51 N 0.87 0.29 0.50 0.12 2.01 -1.26 -1.12 115.64 117.04 2rdx s THR 51 Ca -0.09 -0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 2rdx s THR 51 Cb -0.15 -0.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 2rdx s THR 51 CO -0.00 0.09 1.01 -2.16 -0.69 0.00 0.00 174.62 172.87 2rdx s PRO 52 N 2.00 3.84 -0.92 4.92 0.04 -1.26 -2.72 135.00 140.89 2rdx s PRO 52 Ca 0.03 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 2rdx s PRO 52 Cb -0.14 -2.11 0.24 0.00 0.04 0.00 0.00 34.50 32.53 2rdx s PRO 52 CO -0.06 -0.38 0.86 0.00 0.04 0.00 0.00 177.00 177.46 2rdx n GLY 54 N 3.38 -0.99 0.22 0.00 0.00 -1.26 -4.62 105.19 101.92 2rdx n GLY 54 Ca 0.17 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 45.05 2rdx n GLY 54 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 55 N 0.00 0.00 -0.55 1.61 4.39 -1.90 -3.18 114.58 114.95 2rdx h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rdx h GLU 55 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rdx h GLU 55 CO 0.00 0.22 0.00 0.27 -1.16 0.00 0.00 179.01 178.34 2rdx n ASN 56 N -3.29 3.22 0.01 1.42 0.23 -1.26 -4.55 115.26 111.04 2rdx n ASN 56 Ca 0.01 -1.98 -0.18 0.00 -0.53 0.00 0.00 54.58 51.90 2rdx n ASN 56 Cb 0.47 -0.37 -0.12 0.00 -2.08 0.00 0.00 39.78 37.68 2rdx n ASN 56 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2rdx h TYR 57 N 3.66 0.49 -4.32 -2.53 3.20 -1.81 -3.47 116.97 112.20 2rdx h TYR 57 Ca 0.00 -0.30 -0.40 0.00 3.14 0.00 0.00 58.73 61.17 2rdx h TYR 57 Cb 0.83 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.96 2rdx h TYR 57 CO 0.37 1.15 -0.37 0.00 -1.64 0.00 0.00 178.16 177.67 2rdx n MET 58 N -4.26 0.43 -2.03 1.82 0.00 -1.26 -5.04 117.12 106.78 2rdx n MET 58 Ca -0.11 -2.65 -0.39 0.00 0.00 0.00 0.00 57.70 54.55 2rdx n MET 58 Cb 0.68 1.93 -0.03 0.00 0.00 0.00 0.00 33.22 35.81 2rdx n MET 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2rdx n ILE 59 N -0.57 2.96 -3.64 3.17 5.41 -1.26 -4.73 119.36 120.70 2rdx n ILE 59 Ca 0.03 -2.91 -0.04 0.00 1.00 0.00 0.00 62.75 60.82 2rdx n ILE 59 Cb 0.48 -2.35 -0.07 0.00 -0.71 0.00 0.00 39.64 36.99 2rdx n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rdx s ALA 60 N 5.91 -2.20 0.13 -1.39 0.00 -1.26 -4.82 121.76 118.13 2rdx s ALA 60 Ca 0.57 1.88 -0.09 0.00 0.00 0.00 0.00 51.96 54.32 2rdx s ALA 60 Cb 0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 2rdx s ALA 60 CO 0.07 -0.22 0.25 -3.38 0.00 0.00 0.00 175.76 172.47 2rdx s HIS 61 N 0.46 0.30 0.15 0.00 -3.43 -1.26 -4.65 115.29 106.87 2rdx s HIS 61 Ca 0.01 -0.69 0.21 0.00 -0.80 0.00 0.00 55.06 53.78 2rdx s HIS 61 Cb -0.04 -0.06 0.77 0.00 -1.43 0.00 0.00 32.58 31.82 2rdx s HIS 61 CO -0.11 -0.65 1.77 0.66 -2.00 0.00 0.00 174.74 174.41 2rdx h SER 62 N 2.62 0.00 1.10 7.38 4.64 -1.92 -3.00 113.55 124.38 2rdx h SER 62 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2rdx h SER 62 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2rdx h SER 62 CO 0.51 0.31 -0.27 -0.62 -0.87 0.00 0.00 176.83 175.90 2rdx n GLU 63 N -3.48 0.21 0.16 4.77 -0.58 -1.26 -3.92 120.64 116.54 2rdx n GLU 63 Ca -0.00 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2rdx n GLU 63 Cb 0.48 -1.69 0.50 0.00 -0.57 0.00 0.00 31.44 30.15 2rdx n GLU 63 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2rdx h GLY 64 N 4.63 0.00 0.93 0.62 0.00 -1.96 -2.97 103.07 104.33 2rdx h GLY 64 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2rdx h GLY 64 CO 0.00 0.00 -0.54 -2.08 0.00 0.00 0.00 176.54 173.92 2rdx h VAL 65 N 0.00 1.35 0.08 4.60 2.07 -1.76 -2.45 116.25 120.14 2rdx h VAL 65 Ca 0.00 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.71 2rdx h VAL 65 Cb 0.50 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 2rdx h VAL 65 CO 0.00 0.56 -0.30 0.44 0.02 0.00 0.00 177.57 178.29 2rdx h ASP 66 N 0.21 -0.86 -0.39 0.57 3.32 -1.77 0.20 116.42 117.69 2rdx h ASP 66 Ca -0.03 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.20 2rdx h ASP 66 Cb 1.18 0.34 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 2rdx h ASP 66 CO 0.11 -0.38 -0.09 0.00 -1.72 0.00 0.00 179.24 177.17 2rdx h ALA 67 N 0.21 0.27 -0.58 3.45 0.00 -1.60 0.11 119.26 121.12 2rdx h ALA 67 Ca 0.04 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2rdx h ALA 67 Cb 0.54 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2rdx h ALA 67 CO -0.20 -0.45 0.15 0.35 0.00 0.00 0.00 179.25 179.10 2rdx h PHE 68 N 0.01 0.97 -0.78 0.00 3.57 -1.21 -3.03 116.94 116.47 2rdx h PHE 68 Ca 0.19 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2rdx h PHE 68 Cb 0.28 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2rdx h PHE 68 CO -0.34 0.83 0.30 0.00 -2.23 0.00 0.00 178.31 176.88 2rdx h ALA 69 N 1.03 1.06 0.00 2.41 0.00 -0.19 0.54 119.26 124.11 2rdx h ALA 69 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 69 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rdx h ALA 69 CO 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 2rdx h ARG 70 N 1.14 0.00 0.09 0.00 3.08 -0.70 -0.79 114.38 117.20 2rdx h ARG 70 Ca 0.26 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.97 2rdx h ARG 70 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2rdx h ARG 70 CO -0.02 0.11 -1.86 -0.11 -1.07 0.00 0.00 179.97 177.02 2rdx n LEU 71 N -3.82 2.47 -0.03 3.04 0.00 -1.06 -4.75 117.00 112.86 2rdx n LEU 71 Ca -0.02 0.25 -0.18 0.00 0.00 0.00 0.00 56.01 56.06 2rdx n LEU 71 Cb 0.21 -1.08 -0.14 0.00 0.00 0.00 0.00 43.42 42.42 2rdx n LEU 71 CO 0.31 0.73 -0.86 0.00 0.00 0.00 0.00 177.39 177.57 2rdx n ALA 72 N -3.12 1.11 -0.29 1.96 0.00 0.16 -4.46 120.51 115.87 2rdx n ALA 72 Ca -0.33 -0.74 0.03 0.00 0.00 0.00 0.00 53.44 52.40 2rdx n ALA 72 Cb 0.97 -0.59 0.23 0.00 0.00 0.00 0.00 19.45 20.05 2rdx n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdx h ALA 73 N 0.27 1.49 -0.60 0.00 0.00 -1.36 0.12 119.26 119.18 2rdx h ALA 73 Ca -0.43 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2rdx h ALA 73 Cb 2.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2rdx h ALA 73 CO 0.06 0.41 0.40 -1.35 0.00 0.00 0.00 179.25 178.76 2rdx h PRO 74 N 1.05 0.55 0.00 0.00 0.11 -1.78 -2.34 132.00 129.59 2rdx h PRO 74 Ca 0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2rdx h PRO 74 Cb 0.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2rdx h PRO 74 CO -0.12 0.36 -0.08 1.96 -0.21 0.00 0.00 178.00 179.91 2rdx h GLN 75 N 0.56 0.00 0.00 1.05 1.08 -1.25 -3.29 115.11 113.26 2rdx h GLN 75 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2rdx h GLN 75 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2rdx h GLN 75 CO -0.08 0.00 -0.98 1.28 -0.95 0.00 0.00 178.83 178.11 2rdx n LEU 76 N -2.40 0.62 -4.75 1.46 4.77 -0.46 -4.82 117.00 111.43 2rdx n LEU 76 Ca 0.05 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2rdx n LEU 76 Cb 0.45 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2rdx n LEU 76 CO 0.32 0.03 1.03 -0.76 -1.33 0.00 0.00 177.39 176.68 2rdx s LEU 77 N -3.98 4.41 0.00 2.23 1.43 -1.06 -3.09 118.68 118.62 2rdx s LEU 77 Ca 0.04 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2rdx s LEU 77 Cb 0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2rdx s LEU 77 CO 0.79 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2rdx n GLY 78 N 1.75 2.75 3.88 -3.19 0.00 0.23 -4.93 105.19 105.68 2rdx n GLY 78 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2rdx n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rdx s GLN 79 N -0.56 3.36 -0.47 1.61 1.11 -1.18 -4.45 119.66 119.08 2rdx s GLN 79 Ca 0.00 0.57 -0.19 0.00 0.01 0.00 0.00 55.36 55.75 2rdx s GLN 79 Cb 0.00 -2.11 0.04 0.00 -1.01 0.00 0.00 33.01 29.93 2rdx s GLN 79 CO 0.00 -0.65 0.60 0.34 0.01 0.00 0.00 175.29 175.59 2rdx s ASP 80 N -4.22 6.25 0.50 5.90 2.15 -1.26 -0.84 116.67 125.14 2rdx s ASP 80 Ca 0.55 -0.70 0.28 0.00 0.43 0.00 0.00 52.55 53.11 2rdx s ASP 80 Cb -0.11 -2.29 1.23 0.00 -0.30 0.00 0.00 42.92 41.46 2rdx s ASP 80 CO 0.52 -0.81 1.95 1.55 -0.17 0.00 0.00 175.17 178.21 2rdx h PRO 81 N 8.92 0.00 0.00 4.34 0.13 -1.93 -2.88 132.00 140.59 2rdx h PRO 81 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2rdx h PRO 81 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2rdx h PRO 81 CO 0.91 0.14 -0.00 0.00 -0.23 0.00 0.00 178.00 178.82 2rdx h ARG 82 N 0.00 0.00 -5.20 0.86 3.08 -1.93 -3.33 114.38 107.87 2rdx h ARG 82 Ca -0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 2rdx h ARG 82 Cb 0.55 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.46 2rdx h ARG 82 CO 0.02 0.00 1.54 -0.65 -1.07 0.00 0.00 179.97 179.81 2rdx s GLN 83 N -4.99 3.96 0.42 0.04 -0.21 -1.09 -4.78 119.66 113.01 2rdx s GLN 83 Ca -0.05 -2.21 0.08 0.00 0.02 0.00 0.00 55.36 53.20 2rdx s GLN 83 Cb 0.17 -5.20 0.89 0.00 1.00 0.00 0.00 33.01 29.86 2rdx s GLN 83 CO 0.65 -1.94 2.06 -0.39 -2.12 0.00 0.00 175.29 173.55 2rdx h VAL 84 N 5.22 1.08 0.03 1.09 -1.51 -1.86 -1.53 116.25 118.78 2rdx h VAL 84 Ca 0.33 -0.18 -0.24 0.00 -1.23 0.00 0.00 66.70 65.37 2rdx h VAL 84 Cb 0.90 0.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.55 2rdx h VAL 84 CO 1.30 0.10 -1.21 0.00 -1.23 0.00 0.00 177.57 176.53 2rdx h ALA 85 N 1.75 0.37 -0.50 5.19 0.00 -1.93 -0.56 119.26 123.58 2rdx h ALA 85 Ca 0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 2rdx h ALA 85 Cb -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2rdx h ALA 85 CO -0.04 1.25 0.13 -0.09 0.00 0.00 0.00 179.25 180.51 2rdx h ARG 86 N 0.02 0.79 -0.71 0.00 2.43 -1.88 -0.45 114.38 114.58 2rdx h ARG 86 Ca -0.10 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 2rdx h ARG 86 Cb 1.87 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.28 2rdx h ARG 86 CO 0.14 0.76 0.18 0.52 -1.51 0.00 0.00 179.97 180.05 2rdx h MET 87 N 0.68 1.13 0.11 0.20 2.86 -1.27 -0.41 114.93 118.23 2rdx h MET 87 Ca 0.16 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2rdx h MET 87 Cb 0.32 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2rdx h MET 87 CO 0.00 0.99 -0.23 1.49 1.06 0.00 0.00 176.91 180.23 2rdx h GLU 88 N 1.07 -0.41 0.00 1.72 4.81 -0.89 -0.85 114.58 120.03 2rdx h GLU 88 Ca 0.22 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2rdx h GLU 88 Cb 0.37 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2rdx h GLU 88 CO 0.00 -0.27 -0.36 0.00 -0.73 0.00 0.00 179.01 177.66 2rdx h ARG 89 N -0.42 0.00 0.10 1.92 3.08 -0.99 -0.84 114.38 117.23 2rdx h ARG 89 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2rdx h ARG 89 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2rdx h ARG 89 CO -0.13 0.36 -0.05 1.25 -1.07 0.00 0.00 179.97 180.33 2rdx h LEU 90 N 0.00 -0.11 -0.73 3.04 5.85 -0.88 -1.57 115.31 120.91 2rdx h LEU 90 Ca -0.00 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2rdx h LEU 90 Cb 0.65 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2rdx h LEU 90 CO 0.05 0.24 0.45 0.24 -0.34 0.00 0.00 178.44 179.07 2rdx h MET 91 N -0.47 0.84 0.00 1.25 2.86 -0.99 -0.78 114.93 117.64 2rdx h MET 91 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2rdx h MET 91 Cb 0.39 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2rdx h MET 91 CO 0.02 0.56 0.00 -0.44 1.06 0.00 0.00 176.91 178.11 2rdx h ASP 92 N 0.87 0.00 0.63 1.22 3.32 -1.14 -1.94 116.42 119.38 2rdx h ASP 92 Ca 0.30 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.09 2rdx h ASP 92 Cb 0.06 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2rdx h ASP 92 CO -0.13 0.00 -1.52 -0.74 -1.72 0.00 0.00 179.24 175.14 2rdx h HIS 93 N 0.00 0.00 0.26 4.55 2.76 -0.60 -3.39 115.15 118.73 2rdx h HIS 93 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2rdx h HIS 93 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2rdx h HIS 93 CO 0.00 0.96 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.40 2rdx h LEU 94 N 0.00 -0.30 -8.26 0.26 3.38 -0.58 -3.46 115.31 106.35 2rdx h LEU 94 Ca -0.21 -0.23 -0.37 0.00 0.09 0.00 0.00 57.88 57.15 2rdx h LEU 94 Cb 1.92 0.08 -0.23 0.00 0.09 0.00 0.00 40.66 42.52 2rdx h LEU 94 CO 0.09 0.16 -0.77 0.68 0.09 0.00 0.00 178.44 178.69 2rdx s VAL 95 N -4.00 0.87 0.18 1.22 -7.23 -0.78 -5.09 120.40 105.57 2rdx s VAL 95 Ca -0.13 -1.05 -0.18 0.00 -1.81 0.00 0.00 61.98 58.82 2rdx s VAL 95 Cb 0.01 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 36.03 2rdx s VAL 95 CO 0.49 -0.17 0.64 -1.10 -0.31 0.00 0.00 175.10 174.64 2rdx s GLN 96 N -1.37 4.14 4.75 4.82 -0.21 -1.26 -4.27 119.66 126.27 2rdx s GLN 96 Ca -0.03 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.06 2rdx s GLN 96 Cb -0.09 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 30.98 2rdx s GLN 96 CO 0.01 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 2rdx n GLY 97 N 0.86 1.60 3.94 3.09 0.00 -1.26 -4.93 105.19 108.48 2rdx n GLY 97 Ca -0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 2rdx n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rdx n HIS 98 N 8.32 -1.90 0.03 1.61 8.25 -1.26 -4.88 115.22 125.40 2rdx n HIS 98 Ca 0.00 0.82 -0.07 0.00 -0.26 0.00 0.00 57.72 58.21 2rdx n HIS 98 Cb 0.00 -3.81 0.10 0.00 1.12 0.00 0.00 29.99 27.41 2rdx n HIS 98 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2rdx h GLY 99 N -1.85 0.48 0.68 -1.41 0.00 -1.90 -2.63 103.07 96.44 2rdx h GLY 99 Ca -0.61 -0.53 0.16 0.00 0.00 0.00 0.00 47.33 46.35 2rdx h GLY 99 CO 0.65 0.48 0.49 0.10 0.00 0.00 0.00 176.54 178.26 2rdx h TYR 100 N 0.34 0.31 0.00 5.60 -0.00 -1.84 -1.12 116.97 120.26 2rdx h TYR 100 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 58.73 58.55 2rdx h TYR 100 Cb 1.03 -0.10 -0.03 0.00 0.00 0.00 0.00 36.73 37.63 2rdx h TYR 100 CO 0.03 0.11 -1.21 0.00 -0.00 0.00 0.00 178.16 177.10 2rdx h ALA 101 N 1.66 0.61 0.00 0.10 0.00 -1.79 -3.27 119.26 116.57 2rdx h ALA 101 Ca 0.35 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2rdx h ALA 101 Cb 1.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2rdx h ALA 101 CO -0.08 1.15 -0.45 0.87 0.00 0.00 0.00 179.25 180.74 2rdx h LYS 102 N 0.00 0.00 -0.68 0.00 1.57 -1.27 -3.39 116.57 112.80 2rdx h LYS 102 Ca -0.12 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2rdx h LYS 102 Cb 1.72 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.96 2rdx h LYS 102 CO 0.08 0.45 0.32 0.00 -0.57 0.00 0.00 179.45 179.73 2rdx h ALA 103 N 1.55 0.93 -0.22 3.86 0.00 -1.27 -1.96 119.26 122.15 2rdx h ALA 103 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2rdx h ALA 103 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2rdx h ALA 103 CO 0.06 -0.09 -0.09 -1.35 0.00 0.00 0.00 179.25 177.78 2rdx h PRO 104 N 0.54 0.34 0.17 0.00 0.11 -1.76 -2.33 132.00 129.08 2rdx h PRO 104 Ca 0.34 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 2rdx h PRO 104 Cb 0.38 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2rdx h PRO 104 CO -0.28 0.44 -0.08 0.74 -0.21 0.00 0.00 178.00 178.61 2rdx h PHE 105 N 0.33 -0.21 -0.70 0.65 0.04 -1.68 -2.75 116.94 112.63 2rdx h PHE 105 Ca 0.07 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.98 2rdx h PHE 105 Cb 0.36 0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.47 2rdx h PHE 105 CO 0.01 0.11 0.11 0.22 -0.60 0.00 0.00 178.31 178.16 2rdx h ASP 106 N -0.54 -0.10 -0.70 2.17 3.58 -1.34 -0.84 116.42 118.65 2rdx h ASP 106 Ca -0.02 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2rdx h ASP 106 Cb 0.41 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2rdx h ASP 106 CO 0.04 -0.07 0.28 0.00 -2.88 0.00 0.00 179.24 176.61 2rdx h ALA 107 N 1.60 0.91 -0.55 -0.78 0.00 -1.44 -1.94 119.26 117.06 2rdx h ALA 107 Ca 0.38 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2rdx h ALA 107 Cb 0.64 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2rdx h ALA 107 CO -0.52 0.53 0.12 0.00 0.00 0.00 0.00 179.25 179.38 2rdx h ALA 108 N 1.13 1.19 -0.49 0.00 0.00 -1.06 -0.71 119.26 119.32 2rdx h ALA 108 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2rdx h ALA 108 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2rdx h ALA 108 CO -0.02 0.55 0.04 0.74 0.00 0.00 0.00 179.25 180.56 2rdx h PHE 109 N 0.81 0.90 -0.48 0.00 0.04 -0.85 -1.80 116.94 115.56 2rdx h PHE 109 Ca 0.18 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2rdx h PHE 109 Cb 0.31 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2rdx h PHE 109 CO 0.02 0.84 0.13 -1.49 -0.60 0.00 0.00 178.31 177.21 2rdx h TRP 110 N 0.70 0.73 -0.48 -0.55 4.06 -1.03 -1.02 115.95 118.37 2rdx h TRP 110 Ca 0.14 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 2rdx h TRP 110 Cb 0.45 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 2rdx h TRP 110 CO 0.03 0.61 0.19 0.22 -3.56 0.00 0.00 178.44 175.93 2rdx h ASP 111 N 0.70 0.66 -0.14 -3.49 3.58 -0.98 -1.84 116.42 114.92 2rdx h ASP 111 Ca 0.16 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2rdx h ASP 111 Cb 0.24 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2rdx h ASP 111 CO -0.01 0.65 -0.02 0.40 -2.88 0.00 0.00 179.24 177.39 2rdx h ILE 112 N 0.63 1.28 -0.86 2.25 2.04 -1.03 -2.09 117.51 119.73 2rdx h ILE 112 Ca 0.16 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.17 2rdx h ILE 112 Cb 0.20 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 2rdx h ILE 112 CO -0.01 0.27 0.56 0.25 0.00 0.00 0.00 178.15 179.22 2rdx h LEU 113 N -0.04 0.80 -0.77 1.44 5.85 -1.20 0.46 115.31 121.84 2rdx h LEU 113 Ca 0.04 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 2rdx h LEU 113 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2rdx h LEU 113 CO 0.01 0.49 -0.23 1.23 -0.34 0.00 0.00 178.44 179.60 2rdx h GLY 114 N 0.89 0.73 1.01 3.75 0.00 -1.18 -1.64 103.07 106.63 2rdx h GLY 114 Ca 0.38 -0.62 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 2rdx h GLY 114 CO -0.15 0.56 -0.49 1.46 0.00 0.00 0.00 176.54 177.92 2rdx h GLN 115 N 0.59 0.70 -0.19 4.80 4.20 -0.59 0.10 115.11 124.72 2rdx h GLN 115 Ca 0.08 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 2rdx h GLN 115 Cb 0.71 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2rdx h GLN 115 CO 0.05 1.09 -0.15 0.00 -0.67 0.00 0.00 178.83 179.16 2rdx h ALA 116 N 0.60 1.39 0.00 3.87 0.00 -0.89 -2.91 119.26 121.33 2rdx h ALA 116 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2rdx h ALA 116 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2rdx h ALA 116 CO 0.11 0.42 -0.74 0.25 0.00 0.00 0.00 179.25 179.29 2rdx n THR 117 N -4.23 0.15 -2.02 0.00 -2.24 -0.62 -4.96 114.28 100.35 2rdx n THR 117 Ca -0.00 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.56 2rdx n THR 117 Cb 0.30 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2rdx n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rdx n GLY 118 N 1.41 0.18 3.11 3.38 0.00 -0.61 -5.04 105.19 107.63 2rdx n GLY 118 Ca 0.04 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2rdx n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rdx s GLN 119 N -4.13 0.75 0.75 1.61 -1.52 -0.07 -4.65 119.66 112.39 2rdx s GLN 119 Ca 0.00 -0.76 -0.12 0.00 -1.95 0.00 0.00 55.36 52.53 2rdx s GLN 119 Cb 0.00 -0.70 0.04 0.00 -0.22 0.00 0.00 33.01 32.14 2rdx s GLN 119 CO 0.00 0.16 1.10 -1.25 -0.25 0.00 0.00 175.29 175.05 2rdx s PRO 120 N -1.32 2.37 0.39 2.91 0.04 -1.25 -1.21 135.00 136.93 2rdx s PRO 120 Ca -0.02 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.32 2rdx s PRO 120 Cb -0.08 -1.91 0.80 0.00 0.04 0.00 0.00 34.50 33.35 2rdx s PRO 120 CO 0.01 -1.57 2.03 0.28 0.04 0.00 0.00 177.00 177.80 2rdx h VAL 121 N -0.83 1.12 -0.34 -0.36 2.07 -1.67 -1.84 116.25 114.40 2rdx h VAL 121 Ca -0.44 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2rdx h VAL 121 Cb 1.24 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2rdx h VAL 121 CO 0.52 0.13 0.18 4.11 0.02 0.00 0.00 177.57 182.53 2rdx h TRP 122 N 0.59 0.44 -0.56 1.57 5.08 -1.88 -1.92 115.95 119.26 2rdx h TRP 122 Ca 0.15 -0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.04 2rdx h TRP 122 Cb -0.02 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 25.97 2rdx h TRP 122 CO 0.00 0.32 0.01 1.98 -1.28 0.00 0.00 178.44 179.47 2rdx h MET 123 N 0.46 0.96 0.00 0.12 4.05 -1.59 -0.37 114.93 118.55 2rdx h MET 123 Ca 0.12 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2rdx h MET 123 Cb 0.02 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2rdx h MET 123 CO -0.02 0.94 0.00 1.28 0.23 0.00 0.00 176.91 179.34 2rdx n LEU 124 N -4.19 0.07 -0.94 3.39 4.77 -0.83 -2.06 117.00 117.20 2rdx n LEU 124 Ca 0.03 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 2rdx n LEU 124 Cb 0.32 -0.49 0.24 0.00 -2.33 0.00 0.00 43.42 41.16 2rdx n LEU 124 CO 0.43 -0.10 0.71 0.18 -1.33 0.00 0.00 177.39 177.28 2rdx n LEU 125 N -1.57 2.85 0.00 2.23 4.32 -0.78 -4.94 117.00 119.10 2rdx n LEU 125 Ca 0.06 -1.12 0.00 0.00 -0.02 0.00 0.00 56.01 54.93 2rdx n LEU 125 Cb 0.29 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2rdx n LEU 125 CO 0.23 0.56 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 2rdx n GLY 126 N 1.37 1.72 0.00 -0.72 0.00 -0.88 -4.95 105.19 101.73 2rdx n GLY 126 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2rdx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 127 N 0.00 0.90 3.38 -0.02 0.00 -0.20 -4.97 105.19 104.28 2rdx n GLY 127 Ca 0.00 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.39 2rdx n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rdx s LYS 128 N -0.98 3.21 0.00 1.61 2.20 -1.26 -3.91 119.74 120.61 2rdx s LYS 128 Ca 0.00 -1.54 0.22 0.00 -0.36 0.00 0.00 55.97 54.29 2rdx s LYS 128 Cb 0.00 -4.39 -0.04 0.00 -1.51 0.00 0.00 37.83 31.89 2rdx s LYS 128 CO 0.00 -1.55 1.03 1.28 -0.36 0.00 0.00 175.35 175.76 2rdx n LEU 129 N 6.05 1.02 -3.60 5.43 4.32 0.76 -4.77 117.00 126.21 2rdx n LEU 129 Ca -0.01 -0.43 -0.18 0.00 -0.02 0.00 0.00 56.01 55.37 2rdx n LEU 129 Cb 0.44 -0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.04 2rdx n LEU 129 CO 0.54 0.24 -0.23 0.00 -1.22 0.00 0.00 177.39 176.72 2rdx s ASP 131 N 2.30 6.67 0.00 0.00 2.15 -1.26 -4.53 116.67 121.99 2rdx s ASP 131 Ca 0.04 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.74 2rdx s ASP 131 Cb -0.14 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2rdx s ASP 131 CO -0.08 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 2rdx n GLY 132 N 4.89 -1.20 3.73 2.66 0.00 -1.26 -5.02 105.19 108.99 2rdx n GLY 132 Ca 0.19 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2rdx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 133 N 0.00 3.45 0.65 4.61 0.00 -0.52 -4.69 121.76 125.27 2rdx s ALA 133 Ca 0.00 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 2rdx s ALA 133 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2rdx s ALA 133 CO 0.00 -0.44 1.28 -2.14 0.00 0.00 0.00 175.76 174.45 2rdx s PRO 134 N 0.42 2.53 0.30 0.00 0.02 -1.26 -0.66 135.00 136.35 2rdx s PRO 134 Ca 0.57 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.69 2rdx s PRO 134 Cb -0.33 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 2rdx s PRO 134 CO 0.33 -1.60 -0.11 -1.64 -0.33 0.00 0.00 177.00 173.65 2rdx s MET 135 N -3.43 1.66 0.31 5.54 -1.94 -1.05 -0.04 119.30 120.34 2rdx s MET 135 Ca 0.81 -1.82 0.11 0.00 -1.71 0.00 0.00 55.69 53.08 2rdx s MET 135 Cb -0.36 -1.47 -0.06 0.00 2.01 0.00 0.00 34.83 34.95 2rdx s MET 135 CO 0.40 0.14 -0.13 1.52 -0.01 0.00 0.00 175.02 176.94 2rdx s TYR 136 N -2.76 2.37 -0.06 -0.03 -0.85 -1.26 -4.22 117.35 110.54 2rdx s TYR 136 Ca 0.30 -0.41 0.06 0.00 -0.52 0.00 0.00 57.07 56.49 2rdx s TYR 136 Cb 0.01 -1.21 -0.01 0.00 0.38 0.00 0.00 41.96 41.13 2rdx s TYR 136 CO 0.14 0.64 -0.24 1.03 -1.52 0.00 0.00 175.55 175.60 2rdx s ARG 137 N -3.57 2.53 0.90 -3.49 1.81 -0.70 -4.98 118.95 111.44 2rdx s ARG 137 Ca 0.31 -0.88 -0.12 0.00 -1.72 0.00 0.00 55.73 53.33 2rdx s ARG 137 Cb -0.01 -2.19 0.13 0.00 -0.45 0.00 0.00 34.95 32.43 2rdx s ARG 137 CO 0.16 0.42 1.10 0.14 -0.68 0.00 0.00 175.30 176.44 2rdx s VAL 138 N -0.25 2.52 0.00 3.52 -7.23 -1.26 -1.31 120.40 116.39 2rdx s VAL 138 Ca -0.01 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2rdx s VAL 138 Cb -0.13 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2rdx s VAL 138 CO 0.03 -0.22 0.00 0.00 -0.31 0.00 0.00 175.10 174.60 2rdx n ALA 139 N -3.84 0.00 -2.03 1.32 0.00 -0.29 -4.73 120.51 110.94 2rdx n ALA 139 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2rdx n ALA 139 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 2rdx n ALA 139 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rdx s PRO 140 N 0.00 4.27 -0.79 0.00 0.05 -1.26 -4.59 135.00 132.68 2rdx s PRO 140 Ca 0.00 0.93 0.02 0.00 0.05 0.00 0.00 61.00 62.01 2rdx s PRO 140 Cb 0.00 -2.73 0.20 0.00 0.05 0.00 0.00 34.50 32.02 2rdx s PRO 140 CO 0.00 0.30 0.66 0.94 0.05 0.00 0.00 177.00 178.95 2rdx n GLN 141 N 0.40 2.29 0.00 4.56 7.27 -1.26 -4.97 117.38 125.66 2rdx n GLN 141 Ca 0.00 -4.51 0.00 0.00 0.07 0.00 0.00 57.00 52.56 2rdx n GLN 141 Cb 0.51 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.83 2rdx n GLN 141 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2rdx n ARG 142 N 1.94 0.00 -1.18 3.69 1.85 -1.26 -5.13 116.66 116.57 2rdx n ARG 142 Ca 0.22 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.76 2rdx n ARG 142 Cb 0.36 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.88 2rdx n ARG 142 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rdx s SER 143 N 1.70 4.21 0.12 2.89 0.15 -1.26 -4.84 113.70 116.66 2rdx s SER 143 Ca 0.00 1.93 -0.16 0.00 0.70 0.00 0.00 55.95 58.42 2rdx s SER 143 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2rdx s SER 143 CO 0.00 -2.24 1.62 -0.08 1.20 0.00 0.00 173.24 173.74 2rdx h GLU 144 N -1.18 0.62 0.00 5.44 4.22 -2.00 -0.16 114.58 121.52 2rdx h GLU 144 Ca -0.44 -0.15 -0.05 0.00 0.08 0.00 0.00 59.36 58.80 2rdx h GLU 144 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2rdx h GLU 144 CO 0.49 0.66 -0.22 0.00 -2.18 0.00 0.00 179.01 177.76 2rdx h ALA 145 N 0.94 0.92 0.07 2.92 0.00 -1.99 -2.57 119.26 119.55 2rdx h ALA 145 Ca 0.12 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 2rdx h ALA 145 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2rdx h ALA 145 CO 0.00 0.27 -1.37 0.93 0.00 0.00 0.00 179.25 179.09 2rdx h GLU 146 N 0.00 0.16 -0.20 0.00 5.08 -1.91 -2.80 114.58 114.91 2rdx h GLU 146 Ca -0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2rdx h GLU 146 Cb 0.94 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2rdx h GLU 146 CO 0.03 1.02 -0.47 1.79 -1.00 0.00 0.00 179.01 180.37 2rdx h THR 147 N 0.04 1.32 -0.55 1.13 1.35 -1.05 -2.37 112.91 112.77 2rdx h THR 147 Ca -0.17 -1.68 -0.09 0.00 -0.55 0.00 0.00 66.41 63.92 2rdx h THR 147 Cb 1.94 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 2rdx h THR 147 CO 0.15 0.52 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.84 2rdx h ARG 148 N 0.41 0.96 -0.19 4.72 2.43 -1.52 -0.41 114.38 120.77 2rdx h ARG 148 Ca 0.02 -0.29 -0.18 0.00 -0.81 0.00 0.00 59.98 58.72 2rdx h ARG 148 Cb 0.98 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2rdx h ARG 148 CO 0.09 0.95 -0.61 0.00 -1.51 0.00 0.00 179.97 178.89 2rdx h ALA 149 N 1.10 0.55 -0.00 2.80 0.00 -1.50 -2.87 119.26 119.34 2rdx h ALA 149 Ca 0.16 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 2rdx h ALA 149 Cb 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2rdx h ALA 149 CO 0.03 0.70 -0.96 1.49 0.00 0.00 0.00 179.25 180.51 2rdx h GLU 150 N 0.49 0.46 -0.11 0.00 4.81 -1.23 -2.34 114.58 116.66 2rdx h GLU 150 Ca -0.01 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 2rdx h GLU 150 Cb 1.19 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2rdx h GLU 150 CO 0.12 1.14 -0.39 -0.07 -0.73 0.00 0.00 179.01 179.08 2rdx h LEU 151 N 0.26 0.26 -1.11 1.64 3.38 -1.17 -2.21 115.31 116.35 2rdx h LEU 151 Ca -0.09 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2rdx h LEU 151 Cb 1.59 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2rdx h LEU 151 CO 0.17 0.63 -0.44 0.00 0.09 0.00 0.00 178.44 178.89 2rdx h ALA 152 N 1.39 1.26 -0.18 1.53 0.00 -1.42 -0.13 119.26 121.70 2rdx h ALA 152 Ca 0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 2rdx h ALA 152 Cb 0.79 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2rdx h ALA 152 CO 0.06 0.55 -0.73 0.00 0.00 0.00 0.00 179.25 179.14 2rdx h ARG 153 N 0.00 0.79 -0.29 0.00 3.08 -1.16 -2.12 114.38 114.68 2rdx h ARG 153 Ca -0.00 -0.61 -0.16 0.00 0.07 0.00 0.00 59.98 59.27 2rdx h ARG 153 Cb 0.79 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2rdx h ARG 153 CO 0.06 1.23 -0.46 0.45 -1.07 0.00 0.00 179.97 180.17 2rdx h HIS 154 N 0.56 0.94 -0.25 3.04 3.86 -1.33 -2.96 115.15 118.99 2rdx h HIS 154 Ca -0.04 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 58.83 2rdx h HIS 154 Cb 1.35 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 2rdx h HIS 154 CO 0.08 1.08 0.01 -0.09 0.86 0.00 0.00 177.93 179.87 2rdx h ARG 155 N 0.61 0.44 -0.16 2.45 2.43 -1.02 -1.19 114.38 117.95 2rdx h ARG 155 Ca 0.03 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2rdx h ARG 155 Cb 1.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2rdx h ARG 155 CO 0.10 0.60 0.03 0.00 -1.51 0.00 0.00 179.97 179.19 2rdx h ALA 156 N 0.82 1.76 -0.08 2.80 0.00 -1.46 -2.32 119.26 120.78 2rdx h ALA 156 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rdx h ALA 156 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2rdx h ALA 156 CO 0.01 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2rdx n ALA 157 N -2.51 2.57 0.00 0.00 0.00 -1.01 -4.92 120.51 114.65 2rdx n ALA 157 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2rdx n ALA 157 Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2rdx n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdx n GLY 158 N 1.04 0.75 3.77 0.00 0.00 -0.87 -3.45 105.19 106.43 2rdx n GLY 158 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2rdx n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rdx s TYR 159 N -2.00 3.74 0.00 1.61 1.51 -0.48 -4.69 117.35 117.03 2rdx s TYR 159 Ca 0.00 1.31 0.00 0.00 -1.01 0.00 0.00 57.07 57.37 2rdx s TYR 159 Cb 0.00 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.21 2rdx s TYR 159 CO 0.00 0.40 0.18 0.54 -1.11 0.00 0.00 175.55 175.56 2rdx n ARG 160 N 2.43 1.22 -5.01 -0.62 5.12 -1.26 -4.09 116.66 114.44 2rdx n ARG 160 Ca -0.07 -0.18 -0.31 0.00 -1.93 0.00 0.00 57.85 55.37 2rdx n ARG 160 Cb 0.51 -0.59 -0.15 0.00 -1.16 0.00 0.00 32.46 31.06 2rdx n ARG 160 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2rdx s GLN 161 N -0.22 1.99 -0.02 5.56 -0.21 -1.26 -1.28 119.66 124.22 2rdx s GLN 161 Ca 0.00 -1.00 -0.01 0.00 0.02 0.00 0.00 55.36 54.37 2rdx s GLN 161 Cb 0.00 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 31.96 2rdx s GLN 161 CO 0.00 0.54 0.04 -0.06 -2.12 0.00 0.00 175.29 173.69 2rdx s PHE 162 N -0.75 -0.03 -0.39 0.91 0.40 0.09 -1.72 117.98 116.49 2rdx s PHE 162 Ca 0.12 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 2rdx s PHE 162 Cb -0.10 -0.05 0.04 0.00 0.51 0.00 0.00 43.02 43.41 2rdx s PHE 162 CO 0.01 -0.04 0.23 -1.14 0.70 0.00 0.00 175.22 174.98 2rdx s GLN 163 N 0.33 2.81 -0.32 0.44 0.74 -0.43 -1.82 119.66 121.41 2rdx s GLN 163 Ca -0.03 -1.13 -0.29 0.00 0.05 0.00 0.00 55.36 53.96 2rdx s GLN 163 Cb -0.04 -3.78 0.01 0.00 1.10 0.00 0.00 33.01 30.30 2rdx s GLN 163 CO -0.01 -0.75 1.18 0.42 -0.55 0.00 0.00 175.29 175.58 2rdx s ILE 164 N 1.55 4.33 -0.37 -2.34 1.01 -0.35 -1.13 121.20 123.90 2rdx s ILE 164 Ca 0.02 1.51 -0.27 0.00 0.00 0.00 0.00 60.65 61.91 2rdx s ILE 164 Cb -0.20 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 37.98 2rdx s ILE 164 CO 0.06 -0.51 0.97 -0.75 0.00 0.00 0.00 174.94 174.72 2rdx s LYS 165 N 3.92 3.87 0.08 2.79 2.47 -1.26 -1.79 119.74 129.83 2rdx s LYS 165 Ca 0.50 0.66 0.01 0.00 -1.56 0.00 0.00 55.97 55.59 2rdx s LYS 165 Cb -0.14 -3.80 -0.01 0.00 -1.46 0.00 0.00 37.83 32.43 2rdx s LYS 165 CO 0.20 -0.98 0.05 1.33 0.16 0.00 0.00 175.35 176.11 2rdx n VAL 166 N 6.03 0.00 0.00 4.02 0.24 -0.69 -4.98 118.33 122.96 2rdx n VAL 166 Ca 0.08 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 2rdx n VAL 166 Cb 0.48 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2rdx n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rdx n GLY 167 N 0.70 0.96 0.00 7.63 0.00 -1.26 -4.13 105.19 109.09 2rdx n GLY 167 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2rdx n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx n ALA 168 N -1.02 3.19 -3.11 4.61 0.00 -1.26 -4.22 120.51 118.69 2rdx n ALA 168 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.11 2rdx n ALA 168 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 2rdx n ALA 168 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rdx s ASP 169 N -2.94 -1.13 0.44 0.00 2.15 -1.26 -5.06 116.67 108.87 2rdx s ASP 169 Ca 0.00 -0.09 0.24 0.00 0.43 0.00 0.00 52.55 53.13 2rdx s ASP 169 Cb 0.10 1.61 1.24 0.00 -0.30 0.00 0.00 42.92 45.57 2rdx s ASP 169 CO 0.58 -0.18 1.77 4.11 -0.17 0.00 0.00 175.17 181.27 2rdx h TRP 170 N 7.27 0.49 -0.10 -5.34 5.08 -1.93 -1.10 115.95 120.32 2rdx h TRP 170 Ca -0.02 0.02 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 2rdx h TRP 170 Cb 1.19 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 2rdx h TRP 170 CO 0.09 0.02 -0.36 0.37 -1.28 0.00 0.00 178.44 177.28 2rdx h GLN 171 N 0.27 0.42 0.00 0.12 4.15 -1.97 -1.64 115.11 116.46 2rdx h GLN 171 Ca 0.61 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 2rdx h GLN 171 Cb 1.77 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.52 2rdx h GLN 171 CO -0.24 0.94 -0.10 0.66 -1.93 0.00 0.00 178.83 178.17 2rdx h SER 172 N -0.02 0.00 -0.19 -0.69 4.64 -1.90 -3.21 113.55 112.18 2rdx h SER 172 Ca -0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 2rdx h SER 172 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2rdx h SER 172 CO 0.08 0.10 -0.18 0.44 -0.87 0.00 0.00 176.83 176.39 2rdx h ASP 173 N 0.00 0.62 -0.77 4.97 3.45 -1.04 -1.01 116.42 122.63 2rdx h ASP 173 Ca -0.00 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.29 2rdx h ASP 173 Cb 1.02 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.58 2rdx h ASP 173 CO 0.01 0.81 0.49 0.40 -1.57 0.00 0.00 179.24 179.38 2rdx h ILE 174 N 0.56 1.13 -0.34 0.35 2.04 -1.30 -2.11 117.51 117.83 2rdx h ILE 174 Ca 0.09 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2rdx h ILE 174 Cb 0.62 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2rdx h ILE 174 CO 0.04 0.18 0.07 0.44 0.00 0.00 0.00 178.15 178.88 2rdx h ASP 175 N 0.97 0.53 -0.70 1.72 3.32 -1.50 -2.15 116.42 118.61 2rdx h ASP 175 Ca 0.30 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.16 2rdx h ASP 175 Cb -0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2rdx h ASP 175 CO -0.10 0.64 0.42 0.03 -1.72 0.00 0.00 179.24 178.51 2rdx h ARG 176 N 0.40 0.76 -0.24 3.56 3.08 -1.00 -2.00 114.38 118.94 2rdx h ARG 176 Ca 0.11 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2rdx h ARG 176 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2rdx h ARG 176 CO 0.00 0.50 -0.13 0.82 -1.07 0.00 0.00 179.97 180.10 2rdx h ILE 177 N 0.78 1.31 0.00 2.04 2.04 -1.36 -2.48 117.51 119.83 2rdx h ILE 177 Ca 0.30 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2rdx h ILE 177 Cb 0.13 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2rdx h ILE 177 CO -0.16 0.38 -0.05 0.03 0.00 0.00 0.00 178.15 178.35 2rdx h ARG 178 N 0.22 0.00 0.02 2.37 3.08 -1.22 -2.77 114.38 116.08 2rdx h ARG 178 Ca 0.05 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.79 2rdx h ARG 178 Cb 0.64 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 2rdx h ARG 178 CO 0.04 0.05 -1.84 0.00 -1.07 0.00 0.00 179.97 177.15 2rdx n ALA 179 N -2.14 1.39 0.03 0.04 0.00 -0.77 -4.49 120.51 114.56 2rdx n ALA 179 Ca -0.01 -0.80 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 2rdx n ALA 179 Cb 0.27 -0.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 2rdx n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdx h LEU 181 N -0.40 0.83 0.00 0.00 3.38 -1.72 -0.44 115.31 116.96 2rdx h LEU 181 Ca -0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2rdx h LEU 181 Cb 1.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2rdx h LEU 181 CO 0.10 0.55 0.00 -0.81 0.09 0.00 0.00 178.44 178.37 2rdx n PRO 182 N -4.62 0.74 -0.15 1.13 -0.04 -1.26 -2.84 135.00 127.97 2rdx n PRO 182 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2rdx n PRO 182 Cb 0.15 -1.25 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 2rdx n PRO 182 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2rdx n LEU 183 N -0.75 3.28 -4.32 1.53 4.32 -0.18 -4.96 117.00 115.92 2rdx n LEU 183 Ca 0.09 -1.43 -0.23 0.00 -0.02 0.00 0.00 56.01 54.42 2rdx n LEU 183 Cb 0.04 -0.20 -0.12 0.00 -1.62 0.00 0.00 43.42 41.53 2rdx n LEU 183 CO 0.07 0.69 -0.50 -1.48 -1.22 0.00 0.00 177.39 174.94 2rdx s LEU 184 N -1.49 2.37 0.82 2.23 0.05 -1.13 -4.96 118.68 116.57 2rdx s LEU 184 Ca 0.35 -0.78 -0.11 0.00 0.05 0.00 0.00 54.13 53.63 2rdx s LEU 184 Cb 0.21 -0.89 0.08 0.00 -2.05 0.00 0.00 46.19 43.54 2rdx s LEU 184 CO 0.29 0.02 1.09 -1.61 -0.55 0.00 0.00 176.35 175.60 2rdx s GLU 185 N -2.38 1.90 0.62 1.48 0.41 -1.26 -4.95 118.70 114.52 2rdx s GLU 185 Ca 0.12 0.89 0.40 0.00 -0.41 0.00 0.00 54.97 55.97 2rdx s GLU 185 Cb -0.08 -1.88 2.03 0.00 -1.78 0.00 0.00 34.13 32.42 2rdx s GLU 185 CO 0.06 -1.82 2.23 -1.35 -0.49 0.00 0.00 175.26 173.89 2rdx h PRO 186 N -1.24 0.00 -0.42 0.39 0.11 -2.01 -2.73 132.00 126.09 2rdx h PRO 186 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2rdx h PRO 186 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2rdx h PRO 186 CO 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 2rdx n GLY 187 N -0.66 0.66 3.28 -0.55 0.00 -1.26 -4.95 105.19 101.72 2rdx n GLY 187 Ca -0.02 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2rdx n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rdx s GLU 188 N -1.65 1.73 -0.08 1.61 2.02 -1.03 -4.97 118.70 116.33 2rdx s GLU 188 Ca 0.17 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2rdx s GLU 188 Cb 0.10 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 2rdx s GLU 188 CO 0.09 0.47 0.07 0.15 0.02 0.00 0.00 175.26 176.07 2rdx s LYS 189 N -0.91 3.17 -0.08 1.61 -0.14 -0.41 -4.92 119.74 118.07 2rdx s LYS 189 Ca 0.09 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.40 2rdx s LYS 189 Cb -0.09 -2.96 0.02 0.00 -1.68 0.00 0.00 37.83 33.12 2rdx s LYS 189 CO 0.01 0.72 -0.11 0.00 -0.76 0.00 0.00 175.35 175.21 2rdx s ALA 190 N -1.01 1.29 -0.23 5.17 0.00 -1.26 -0.74 121.76 124.98 2rdx s ALA 190 Ca 0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2rdx s ALA 190 Cb -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2rdx s ALA 190 CO 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 175.76 175.77 2rdx s MET 191 N 1.00 3.54 -0.65 0.00 0.23 -0.76 -0.02 119.30 122.63 2rdx s MET 191 Ca -0.08 -0.54 -0.21 0.00 -1.03 0.00 0.00 55.69 53.82 2rdx s MET 191 Cb -0.15 -3.16 0.08 0.00 -1.53 0.00 0.00 34.83 30.07 2rdx s MET 191 CO -0.00 -0.16 0.90 0.00 -2.03 0.00 0.00 175.02 173.72 2rdx s ALA 192 N 1.47 3.21 -0.35 3.16 0.00 -0.14 -1.21 121.76 127.89 2rdx s ALA 192 Ca 0.05 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 49.86 2rdx s ALA 192 Cb -0.15 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 2rdx s ALA 192 CO 0.01 -2.67 0.47 0.34 0.00 0.00 0.00 175.76 173.90 2rdx s ASP 193 N 3.67 6.27 0.08 0.00 -1.08 -0.74 -1.28 116.67 123.59 2rdx s ASP 193 Ca 0.19 -0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.34 2rdx s ASP 193 Cb -0.18 -2.25 0.32 0.00 -1.46 0.00 0.00 42.92 39.35 2rdx s ASP 193 CO 0.08 -0.45 1.29 0.00 0.52 0.00 0.00 175.17 176.61 2rdx n ALA 194 N 5.63 3.12 -3.66 3.66 0.00 -0.89 -1.70 120.51 126.68 2rdx n ALA 194 Ca -0.06 -0.29 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 2rdx n ALA 194 Cb 0.49 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.85 2rdx n ALA 194 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rdx n ASN 195 N -1.97 -3.97 -1.60 0.00 5.03 -1.24 -1.92 115.26 109.60 2rdx n ASN 195 Ca 0.03 -0.93 -0.19 0.00 0.87 0.00 0.00 54.58 54.37 2rdx n ASN 195 Cb 0.42 -3.75 -0.06 0.00 -1.02 0.00 0.00 39.78 35.36 2rdx n ASN 195 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2rdx n GLN 196 N -4.10 -1.34 0.05 3.52 6.02 -0.85 -4.91 117.38 115.78 2rdx n GLN 196 Ca -0.16 1.09 -0.14 0.00 -0.01 0.00 0.00 57.00 57.78 2rdx n GLN 196 Cb 0.63 -5.44 -0.14 0.00 1.02 0.00 0.00 30.24 26.31 2rdx n GLN 196 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2rdx h GLY 197 N 0.00 0.21 -3.03 1.08 0.00 -1.39 -3.28 103.07 96.66 2rdx h GLY 197 Ca -0.40 -0.53 -0.50 0.00 0.00 0.00 0.00 47.33 45.90 2rdx h GLY 197 CO 0.55 0.46 0.05 -0.98 0.00 0.00 0.00 176.54 176.62 2rdx s TRP 198 N -2.63 3.39 0.47 5.60 0.51 -0.61 -4.84 118.94 120.83 2rdx s TRP 198 Ca -0.07 1.12 -0.19 0.00 -2.12 0.00 0.00 56.10 54.84 2rdx s TRP 198 Cb 0.07 -2.46 -0.10 0.00 -0.81 0.00 0.00 33.47 30.17 2rdx s TRP 198 CO 0.84 0.12 0.97 0.50 -0.51 0.00 0.00 176.95 178.88 2rdx s ARG 199 N -2.99 4.08 0.31 4.98 3.52 -1.26 -4.46 118.95 123.12 2rdx s ARG 199 Ca 0.52 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.21 2rdx s ARG 199 Cb -0.10 -2.16 0.53 0.00 -1.56 0.00 0.00 34.95 31.66 2rdx s ARG 199 CO 0.19 -0.16 1.93 -0.24 -0.81 0.00 0.00 175.30 176.21 2rdx h VAL 200 N 1.52 1.10 -0.46 7.11 3.04 -1.95 -1.31 116.25 125.30 2rdx h VAL 200 Ca -0.48 -0.35 -0.08 0.00 -1.01 0.00 0.00 66.70 64.77 2rdx h VAL 200 Cb 1.19 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 2rdx h VAL 200 CO 0.61 0.19 -0.03 -2.24 -1.01 0.00 0.00 177.57 175.09 2rdx h ASP 201 N 1.03 0.82 0.12 3.17 2.03 -1.98 -2.79 116.42 118.82 2rdx h ASP 201 Ca 0.36 -0.32 -0.16 0.00 -0.73 0.00 0.00 57.03 56.18 2rdx h ASP 201 Cb 0.13 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 2rdx h ASP 201 CO -0.12 0.95 -0.58 0.78 -1.03 0.00 0.00 179.24 179.23 2rdx h ASN 202 N 0.68 0.53 -0.22 4.15 2.35 -1.75 -1.61 115.58 119.71 2rdx h ASN 202 Ca 0.13 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2rdx h ASN 202 Cb 0.54 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2rdx h ASN 202 CO 0.03 0.99 -0.01 0.00 -1.65 0.00 0.00 177.43 176.79 2rdx h ALA 203 N 1.01 1.37 -0.23 -0.83 0.00 -1.25 -1.21 119.26 118.11 2rdx h ALA 203 Ca -0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2rdx h ALA 203 Cb 1.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2rdx h ALA 203 CO 0.10 0.44 -0.65 0.82 0.00 0.00 0.00 179.25 179.96 2rdx h ILE 204 N 0.49 1.27 -0.67 0.00 2.04 -1.22 -0.65 117.51 118.77 2rdx h ILE 204 Ca 0.10 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.15 2rdx h ILE 204 Cb 0.34 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2rdx h ILE 204 CO 0.01 0.59 0.43 0.03 0.00 0.00 0.00 178.15 179.21 2rdx h ARG 205 N 0.62 0.82 -0.15 2.37 3.08 -1.05 -0.69 114.38 119.38 2rdx h ARG 205 Ca -0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2rdx h ARG 205 Cb 1.27 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2rdx h ARG 205 CO 0.14 0.54 0.07 1.25 -1.07 0.00 0.00 179.97 180.91 2rdx h LEU 206 N 0.84 0.20 -0.79 3.04 6.46 -1.11 -1.98 115.31 121.97 2rdx h LEU 206 Ca 0.26 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2rdx h LEU 206 Cb -0.02 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 2rdx h LEU 206 CO -0.09 0.26 0.33 0.00 -0.62 0.00 0.00 178.44 178.32 2rdx h ALA 207 N 0.95 1.03 -0.25 1.25 0.00 -0.85 -2.11 119.26 119.28 2rdx h ALA 207 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2rdx h ALA 207 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2rdx h ALA 207 CO -0.01 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 2rdx h ARG 208 N 1.15 0.47 0.00 0.00 3.08 -1.08 -2.46 114.38 115.54 2rdx h ARG 208 Ca 0.27 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2rdx h ARG 208 Cb 0.20 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2rdx h ARG 208 CO -0.02 0.67 -0.12 0.00 -1.07 0.00 0.00 179.97 179.43 2rdx h ALA 209 N 1.34 0.95 -0.09 0.04 0.00 -0.93 -3.24 119.26 117.33 2rdx h ALA 209 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2rdx h ALA 209 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2rdx h ALA 209 CO 0.05 0.15 -0.08 0.25 0.00 0.00 0.00 179.25 179.62 2rdx n THR 210 N -3.17 2.08 0.30 0.00 -2.24 -0.83 -4.78 114.28 105.64 2rdx n THR 210 Ca 0.02 -2.37 0.17 0.00 -2.27 0.00 0.00 64.05 59.61 2rdx n THR 210 Cb 0.48 -0.25 0.81 0.00 -2.10 0.00 0.00 70.33 69.28 2rdx n THR 210 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2rdx h ARG 211 N 0.63 0.00 -0.65 -0.78 0.11 -1.47 -1.93 114.38 110.29 2rdx h ARG 211 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2rdx h ARG 211 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2rdx h ARG 211 CO 0.08 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.75 2rdx n ASP 212 N -2.80 3.38 -4.24 0.08 5.75 -1.26 -4.91 116.55 112.55 2rdx n ASP 212 Ca -0.01 -2.38 -0.27 0.00 -0.01 0.00 0.00 54.79 52.12 2rdx n ASP 212 Cb 0.17 -0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 2rdx n ASP 212 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2rdx s LEU 213 N -1.44 2.08 -0.51 -2.12 1.43 -0.73 -5.09 118.68 112.30 2rdx s LEU 213 Ca 0.32 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 2rdx s LEU 213 Cb 0.22 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.44 2rdx s LEU 213 CO 0.13 0.23 0.58 -0.62 0.23 0.00 0.00 176.35 176.90 2rdx s ASP 214 N -0.69 6.20 0.24 2.29 2.15 -1.26 -4.91 116.67 120.70 2rdx s ASP 214 Ca 0.08 -1.04 -0.15 0.00 0.43 0.00 0.00 52.55 51.86 2rdx s ASP 214 Cb -0.08 -2.27 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2rdx s ASP 214 CO -0.00 -0.85 0.53 -0.72 -0.17 0.00 0.00 175.17 173.96 2rdx s TYR 215 N 2.41 0.16 -0.23 -5.34 -0.85 -1.26 -4.80 117.35 107.44 2rdx s TYR 215 Ca 0.12 -0.54 -0.13 0.00 -0.52 0.00 0.00 57.07 56.01 2rdx s TYR 215 Cb -0.21 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 2rdx s TYR 215 CO 0.10 -1.03 0.25 0.42 -1.52 0.00 0.00 175.55 173.78 2rdx s ILE 216 N -3.97 5.30 -0.45 -3.49 1.01 0.96 -3.95 121.20 116.60 2rdx s ILE 216 Ca 0.17 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.99 2rdx s ILE 216 Cb -0.02 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.89 2rdx s ILE 216 CO 0.06 0.31 0.74 -0.22 0.00 0.00 0.00 174.94 175.83 2rdx s LEU 217 N 1.16 4.36 -0.19 2.97 2.96 0.33 -0.96 118.68 129.30 2rdx s LEU 217 Ca 0.12 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2rdx s LEU 217 Cb -0.14 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 2rdx s LEU 217 CO 0.06 -0.88 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.49 2rdx s GLU 218 N 3.14 3.63 -0.49 1.98 2.12 -0.40 -0.82 118.70 127.86 2rdx s GLU 218 Ca 0.27 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.01 2rdx s GLU 218 Cb -0.13 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.23 2rdx s GLU 218 CO 0.21 0.07 0.31 0.94 -0.54 0.00 0.00 175.26 176.25 2rdx n GLN 219 N 4.06 -0.71 0.19 4.30 -0.06 0.24 -2.09 117.38 123.32 2rdx n GLN 219 Ca -0.17 0.11 0.05 0.00 -2.00 0.00 0.00 57.00 54.99 2rdx n GLN 219 Cb 0.52 -0.94 0.48 0.00 -4.06 0.00 0.00 30.24 26.25 2rdx n GLN 219 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2rdx h PRO 220 N 0.31 0.09 -4.92 3.69 0.13 -1.86 -2.26 132.00 127.18 2rdx h PRO 220 Ca -0.34 -0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.40 2rdx h PRO 220 Cb 0.70 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.67 2rdx h PRO 220 CO 0.21 0.22 -0.60 0.00 -0.23 0.00 0.00 178.00 177.61 2rdx h ARG 222 N 2.30 -0.70 -6.94 0.00 2.43 -1.80 -3.39 114.38 106.29 2rdx h ARG 222 Ca -0.37 0.05 -0.49 0.00 -0.81 0.00 0.00 59.98 58.35 2rdx h ARG 222 Cb 1.25 0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.98 2rdx h ARG 222 CO 0.60 -0.46 0.14 -1.54 -1.51 0.00 0.00 179.97 177.20 2rdx s SER 223 N -4.25 6.38 0.27 -3.80 1.04 -1.26 -4.64 113.70 107.43 2rdx s SER 223 Ca -0.11 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 2rdx s SER 223 Cb 0.01 -2.30 0.46 0.00 0.10 0.00 0.00 66.02 64.29 2rdx s SER 223 CO 0.32 -0.53 1.85 0.22 0.98 0.00 0.00 173.24 176.08 2rdx h TYR 224 N 0.64 1.13 -0.33 5.02 3.20 -1.92 -2.32 116.97 122.39 2rdx h TYR 224 Ca -0.47 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.27 2rdx h TYR 224 Cb 1.20 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 2rdx h TYR 224 CO 0.60 0.52 -0.43 0.93 -1.64 0.00 0.00 178.16 178.14 2rdx h GLU 225 N 1.05 0.87 -0.76 1.82 3.07 -1.98 -0.53 114.58 118.13 2rdx h GLU 225 Ca 0.45 -0.50 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2rdx h GLU 225 Cb 0.32 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 2rdx h GLU 225 CO -0.22 1.14 0.48 0.93 -1.40 0.00 0.00 179.01 179.94 2rdx h GLU 226 N 0.67 0.91 -0.60 2.33 5.08 -1.93 -1.41 114.58 119.62 2rdx h GLU 226 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2rdx h GLU 226 Cb 1.03 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2rdx h GLU 226 CO 0.10 0.60 0.33 0.00 -1.00 0.00 0.00 179.01 179.04 2rdx h GLN 228 N 0.81 0.28 -0.32 0.00 1.08 -0.95 0.31 115.11 116.33 2rdx h GLN 228 Ca 0.21 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 2rdx h GLN 228 Cb 0.04 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2rdx h GLN 228 CO -0.03 0.48 -0.25 0.37 -0.95 0.00 0.00 178.83 178.44 2rdx h GLN 229 N 0.26 0.63 -0.43 1.46 4.15 -0.96 -2.03 115.11 118.19 2rdx h GLN 229 Ca 0.05 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 2rdx h GLN 229 Cb 0.51 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2rdx h GLN 229 CO 0.03 0.82 -0.11 0.28 -1.93 0.00 0.00 178.83 177.93 2rdx h VAL 230 N 0.55 1.27 -0.09 2.39 2.07 -0.72 -3.14 116.25 118.58 2rdx h VAL 230 Ca 0.08 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.41 2rdx h VAL 230 Cb 0.72 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2rdx h VAL 230 CO 0.06 0.41 0.07 -0.09 0.02 0.00 0.00 177.57 178.04 2rdx h ARG 231 N 0.66 0.00 -0.83 1.57 2.43 -0.74 -0.60 114.38 116.87 2rdx h ARG 231 Ca 0.11 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 2rdx h ARG 231 Cb 0.64 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 2rdx h ARG 231 CO 0.04 0.00 0.55 -0.09 -1.51 0.00 0.00 179.97 178.96 2rdx h ARG 232 N 0.00 0.50 0.02 0.20 2.43 -1.32 -3.12 114.38 113.09 2rdx h ARG 232 Ca 0.04 -0.03 -0.40 0.00 -0.81 0.00 0.00 59.98 58.79 2rdx h ARG 232 Cb 0.18 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2rdx h ARG 232 CO -0.00 0.33 -2.33 0.28 -1.51 0.00 0.00 179.97 176.73 2rdx n VAL 233 N -4.52 1.55 -2.76 0.20 0.31 -0.81 -4.99 118.33 107.30 2rdx n VAL 233 Ca 0.16 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2rdx n VAL 233 Cb 0.54 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 2rdx n VAL 233 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rdx s ALA 234 N -2.51 3.20 -0.39 3.52 0.00 -0.30 -4.95 121.76 120.33 2rdx s ALA 234 Ca -0.34 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.33 2rdx s ALA 234 Cb 0.10 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2rdx s ALA 234 CO 0.59 -0.18 0.96 -0.25 0.00 0.00 0.00 175.76 176.87 2rdx n ASP 235 N 3.73 0.59 -4.70 0.00 9.92 -1.26 -4.70 116.55 120.13 2rdx n ASP 235 Ca 0.04 0.02 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 2rdx n ASP 235 Cb 0.51 0.85 -0.00 0.00 -0.64 0.00 0.00 41.12 41.84 2rdx n ASP 235 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rdx n GLN 236 N -2.25 2.09 -1.68 -1.24 3.00 -1.26 -4.87 117.38 111.16 2rdx n GLN 236 Ca 0.00 0.73 -0.46 0.00 -0.01 0.00 0.00 57.00 57.27 2rdx n GLN 236 Cb 0.50 -2.35 -0.04 0.00 0.00 0.00 0.00 30.24 28.34 2rdx n GLN 236 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2rdx n PRO 237 N 0.41 2.27 -3.94 -1.09 -0.02 -1.25 -4.69 135.00 126.68 2rdx n PRO 237 Ca 0.05 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.99 2rdx n PRO 237 Cb 0.37 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 2rdx n PRO 237 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2rdx s MET 238 N 1.71 3.38 -0.14 -0.52 1.75 -1.26 -0.52 119.30 123.70 2rdx s MET 238 Ca 0.81 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 2rdx s MET 238 Cb -0.65 -3.14 0.01 0.00 2.84 0.00 0.00 34.83 33.90 2rdx s MET 238 CO 0.40 0.77 -0.21 0.21 -0.65 0.00 0.00 175.02 175.54 2rdx s LYS 239 N -1.03 2.88 -0.11 4.11 2.20 0.00 -0.60 119.74 127.19 2rdx s LYS 239 Ca 0.15 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.91 2rdx s LYS 239 Cb -0.12 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2rdx s LYS 239 CO 0.04 -0.06 0.09 -0.51 -0.36 0.00 0.00 175.35 174.55 2rdx s LEU 240 N 0.94 4.07 0.00 5.43 1.43 -0.56 -0.59 118.68 129.40 2rdx s LEU 240 Ca -0.05 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2rdx s LEU 240 Cb -0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2rdx s LEU 240 CO -0.04 0.38 0.00 -0.67 0.23 0.00 0.00 176.35 176.25 2rdx n ASP 241 N 2.14 0.00 0.31 2.29 -0.08 -1.26 0.21 116.55 120.16 2rdx n ASP 241 Ca -0.19 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.28 2rdx n ASP 241 Cb 0.54 0.00 0.96 0.00 2.34 0.00 0.00 41.12 44.97 2rdx n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2rdx h GLU 242 N 0.00 0.00 0.00 -0.67 3.07 -1.94 0.30 114.58 115.34 2rdx h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2rdx h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2rdx h GLU 242 CO 0.00 0.02 -0.22 0.00 -1.40 0.00 0.00 179.01 177.41 2rdx s VAL 244 N -3.04 4.00 -1.82 0.00 1.01 0.09 -4.78 120.40 115.85 2rdx s VAL 244 Ca 0.11 -0.94 0.16 0.00 0.00 0.00 0.00 61.98 61.32 2rdx s VAL 244 Cb 0.17 -5.06 0.08 0.00 0.00 0.00 0.00 36.38 31.57 2rdx s VAL 244 CO 0.61 -1.92 0.95 0.35 0.00 0.00 0.00 175.10 175.09 2rdx n THR 245 N 6.74 0.00 -2.31 3.92 -2.24 -1.26 -4.64 114.28 114.49 2rdx n THR 245 Ca 0.34 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2rdx n THR 245 Cb 0.50 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 2rdx n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rdx n GLY 246 N 1.00 -1.74 0.25 3.38 0.00 -1.26 -4.43 105.19 102.39 2rdx n GLY 246 Ca 0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 2rdx n GLY 246 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 247 N 0.00 0.57 -1.14 0.99 5.85 -1.94 -2.20 115.31 117.44 2rdx h LEU 247 Ca 0.00 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2rdx h LEU 247 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2rdx h LEU 247 CO 0.00 0.79 -0.23 0.45 -0.34 0.00 0.00 178.44 179.11 2rdx h HIS 248 N 0.51 0.00 0.14 1.25 3.86 -1.99 0.21 115.15 119.13 2rdx h HIS 248 Ca 0.08 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.10 2rdx h HIS 248 Cb 0.65 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.14 2rdx h HIS 248 CO 0.02 0.23 -0.83 1.98 0.86 0.00 0.00 177.93 180.19 2rdx h MET 249 N 0.00 0.32 -0.98 2.45 1.85 -1.88 -3.01 114.93 113.66 2rdx h MET 249 Ca -0.00 -0.53 0.15 0.00 -0.61 0.00 0.00 59.70 58.71 2rdx h MET 249 Cb 0.73 0.19 -0.09 0.00 0.43 0.00 0.00 31.60 32.87 2rdx h MET 249 CO 0.03 1.25 0.62 0.00 -0.40 0.00 0.00 176.91 178.40 2rdx h ALA 250 N 0.10 1.65 -0.36 0.39 0.00 -0.98 0.41 119.26 120.47 2rdx h ALA 250 Ca -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2rdx h ALA 250 Cb 1.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2rdx h ALA 250 CO 0.16 0.06 0.15 1.96 0.00 0.00 0.00 179.25 181.57 2rdx h GLN 251 N 0.85 0.53 -0.40 0.00 4.20 -0.66 -2.18 115.11 117.45 2rdx h GLN 251 Ca 0.52 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 59.02 2rdx h GLN 251 Cb 0.69 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2rdx h GLN 251 CO -0.29 0.51 -0.22 -0.09 -0.67 0.00 0.00 178.83 178.08 2rdx h ARG 252 N 0.43 0.79 -0.34 1.46 2.43 -1.24 -0.80 114.38 117.12 2rdx h ARG 252 Ca 0.12 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2rdx h ARG 252 Cb 0.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2rdx h ARG 252 CO -0.01 0.94 0.14 0.82 -1.51 0.00 0.00 179.97 180.34 2rdx h ILE 253 N 0.69 1.18 -0.47 1.20 2.04 -0.90 -1.64 117.51 119.61 2rdx h ILE 253 Ca 0.10 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2rdx h ILE 253 Cb 0.73 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2rdx h ILE 253 CO 0.06 0.20 0.12 0.58 0.00 0.00 0.00 178.15 179.10 2rdx h VAL 254 N 0.40 1.24 -0.58 1.67 2.07 -1.33 0.27 116.25 119.98 2rdx h VAL 254 Ca 0.11 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2rdx h VAL 254 Cb 0.18 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2rdx h VAL 254 CO -0.01 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.17 2rdx h ALA 255 N 0.98 1.44 0.00 1.67 0.00 -1.06 -1.96 119.26 120.33 2rdx h ALA 255 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2rdx h ALA 255 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rdx h ALA 255 CO 0.00 0.45 -0.38 -0.25 0.00 0.00 0.00 179.25 179.07 2rdx n ASP 256 N -4.38 0.41 -4.04 0.00 8.00 -0.62 -4.94 116.55 110.98 2rdx n ASP 256 Ca 0.05 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 2rdx n ASP 256 Cb 0.11 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2rdx n ASP 256 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rdx n ARG 257 N -1.60 -2.24 -0.24 -1.24 5.12 0.33 -4.89 116.66 111.90 2rdx n ARG 257 Ca 0.06 0.30 0.07 0.00 -1.93 0.00 0.00 57.85 56.34 2rdx n ARG 257 Cb 0.35 -4.08 0.20 0.00 -1.16 0.00 0.00 32.46 27.77 2rdx n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rdx n GLY 258 N -2.14 1.14 3.45 -0.13 0.00 0.67 -4.86 105.19 103.32 2rdx n GLY 258 Ca -0.28 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2rdx n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 259 N -1.46 -1.60 -0.35 4.61 0.00 -1.26 -4.93 121.76 116.76 2rdx s ALA 259 Ca 0.29 0.80 0.22 0.00 0.00 0.00 0.00 51.96 53.28 2rdx s ALA 259 Cb 0.16 0.48 -0.16 0.00 0.00 0.00 0.00 23.12 23.60 2rdx s ALA 259 CO 0.19 -0.58 0.78 0.39 0.00 0.00 0.00 175.76 176.54 2rdx n GLU 260 N 0.22 0.46 -3.76 0.00 4.71 0.23 -4.93 120.64 117.58 2rdx n GLU 260 Ca -0.18 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.16 56.78 2rdx n GLU 260 Cb 0.61 -1.59 -0.12 0.00 -1.01 0.00 0.00 31.44 29.33 2rdx n GLU 260 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2rdx s ILE 261 N -3.34 -0.02 -0.22 -3.67 1.01 -0.93 -4.18 121.20 109.85 2rdx s ILE 261 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2rdx s ILE 261 Cb 0.14 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2rdx s ILE 261 CO 0.85 0.03 -0.03 0.00 0.00 0.00 0.00 174.94 175.79 2rdx s LEU 264 N 1.46 5.14 -0.26 0.00 1.43 0.89 -4.59 118.68 122.75 2rdx s LEU 264 Ca 0.33 -1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.30 2rdx s LEU 264 Cb -0.17 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2rdx s LEU 264 CO 0.13 -0.52 0.39 -0.54 0.23 0.00 0.00 176.35 176.05 2rdx s LYS 265 N 1.14 4.04 0.21 1.70 1.02 -1.26 -1.38 119.74 125.21 2rdx s LYS 265 Ca 0.07 0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.05 2rdx s LYS 265 Cb -0.22 -3.64 0.28 0.00 -0.52 0.00 0.00 37.83 33.72 2rdx s LYS 265 CO -0.04 -0.26 1.68 0.82 -0.92 0.00 0.00 175.35 176.63 2rdx h ILE 266 N 5.35 0.56 0.00 2.17 2.04 -1.57 -1.07 117.51 124.99 2rdx h ILE 266 Ca -0.32 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2rdx h ILE 266 Cb 1.16 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2rdx h ILE 266 CO 0.66 0.03 -0.27 0.77 0.00 0.00 0.00 178.15 179.34 2rdx h SER 267 N 0.16 0.00 0.76 1.72 4.64 -1.88 0.23 113.55 119.18 2rdx h SER 267 Ca 0.31 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.48 2rdx h SER 267 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2rdx h SER 267 CO -0.47 0.27 -0.71 -1.13 -0.87 0.00 0.00 176.83 173.93 2rdx h ASN 268 N 0.00 0.00 0.36 4.97 -1.24 -1.66 -2.79 115.58 115.22 2rdx h ASN 268 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2rdx h ASN 268 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2rdx h ASN 268 CO 0.04 0.71 -0.13 0.18 -1.29 0.00 0.00 177.43 176.94 2rdx n LEU 269 N -3.65 0.54 0.00 0.34 4.77 -0.51 -4.62 117.00 113.87 2rdx n LEU 269 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2rdx n LEU 269 Cb 0.71 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2rdx n LEU 269 CO 0.43 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2rdx n GLY 270 N 1.29 0.87 0.00 -0.72 0.00 -0.90 -4.37 105.19 101.36 2rdx n GLY 270 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rdx n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 271 N -2.23 2.42 0.29 -0.02 0.00 0.75 -4.17 105.19 102.23 2rdx n GLY 271 Ca 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.96 2rdx n GLY 271 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rdx h LEU 272 N 0.00 0.32 0.02 0.99 5.85 -1.83 -0.28 115.31 120.39 2rdx h LEU 272 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2rdx h LEU 272 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2rdx h LEU 272 CO 0.00 0.24 -0.01 0.28 -0.34 0.00 0.00 178.44 178.61 2rdx h SER 273 N 0.38 -0.03 0.22 1.25 0.02 -1.91 -1.07 113.55 112.41 2rdx h SER 273 Ca 0.10 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2rdx h SER 273 Cb -0.04 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2rdx h SER 273 CO -0.02 0.10 -0.81 0.11 -1.14 0.00 0.00 176.83 175.07 2rdx h LYS 274 N -0.15 0.47 -0.82 3.45 1.57 -1.78 -2.92 116.57 116.39 2rdx h LYS 274 Ca -0.00 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2rdx h LYS 274 Cb 0.14 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2rdx h LYS 274 CO 0.01 1.06 0.39 0.00 -0.57 0.00 0.00 179.45 180.34 2rdx h ALA 275 N 0.81 1.06 -0.46 3.86 0.00 -1.02 -0.05 119.26 123.46 2rdx h ALA 275 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2rdx h ALA 275 Cb 1.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2rdx h ALA 275 CO 0.14 0.62 0.14 -0.09 0.00 0.00 0.00 179.25 180.06 2rdx h ARG 276 N 1.16 0.71 -0.50 0.00 1.12 -1.24 -0.95 114.38 114.68 2rdx h ARG 276 Ca 0.28 -0.16 -0.09 0.00 -1.11 0.00 0.00 59.98 58.91 2rdx h ARG 276 Cb 0.12 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2rdx h ARG 276 CO -0.04 0.69 -0.03 0.00 -3.11 0.00 0.00 179.97 177.48 2rdx h ARG 277 N 0.60 0.90 -0.63 0.20 3.08 -1.24 0.56 114.38 117.84 2rdx h ARG 277 Ca 0.15 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2rdx h ARG 277 Cb 0.28 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2rdx h ARG 277 CO -0.00 0.95 0.27 1.15 -1.07 0.00 0.00 179.97 181.27 2rdx h THR 278 N 0.76 1.23 -0.20 2.04 2.02 -1.02 -0.87 112.91 116.88 2rdx h THR 278 Ca 0.14 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 2rdx h THR 278 Cb 0.56 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2rdx h THR 278 CO 0.03 0.28 0.11 -0.09 0.37 0.00 0.00 175.52 176.22 2rdx h ARG 279 N 0.88 0.27 -1.00 6.66 2.43 -0.91 -1.37 114.38 121.35 2rdx h ARG 279 Ca 0.21 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2rdx h ARG 279 Cb 0.17 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2rdx h ARG 279 CO -0.02 0.26 0.65 -0.44 -1.51 0.00 0.00 179.97 178.90 2rdx h ASP 280 N 0.21 1.16 -0.37 -3.80 3.32 -0.77 0.95 116.42 117.12 2rdx h ASP 280 Ca 0.07 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2rdx h ASP 280 Cb 0.06 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2rdx h ASP 280 CO -0.01 0.85 0.17 0.15 -1.72 0.00 0.00 179.24 178.68 2rdx h PHE 281 N 1.36 0.53 -0.09 4.55 3.57 -0.95 -1.97 116.94 123.94 2rdx h PHE 281 Ca 0.36 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.66 2rdx h PHE 281 Cb -0.14 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2rdx h PHE 281 CO 0.00 0.45 -0.69 -0.07 -2.23 0.00 0.00 178.31 175.77 2rdx h LEU 282 N 0.45 0.46 -0.36 0.59 3.38 -0.58 -2.70 115.31 116.56 2rdx h LEU 282 Ca 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2rdx h LEU 282 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2rdx h LEU 282 CO -0.02 1.02 0.17 0.40 0.09 0.00 0.00 178.44 180.11 2rdx h ILE 283 N 0.28 1.16 0.00 1.22 1.08 -0.82 0.34 117.51 120.77 2rdx h ILE 283 Ca -0.02 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 2rdx h ILE 283 Cb 1.26 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2rdx h ILE 283 CO 0.12 0.17 -0.03 0.44 -0.69 0.00 0.00 178.15 178.16 2rdx h ASP 284 N 0.44 0.00 -0.61 1.72 3.32 -1.30 -0.18 116.42 119.81 2rdx h ASP 284 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2rdx h ASP 284 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2rdx h ASP 284 CO -0.02 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2rdx n ASN 285 N -3.35 3.46 -3.60 6.45 3.02 -0.96 -4.97 115.26 115.31 2rdx n ASN 285 Ca -0.02 -1.99 -0.23 0.00 -0.03 0.00 0.00 54.58 52.31 2rdx n ASN 285 Cb 0.15 -0.41 0.07 0.00 -0.61 0.00 0.00 39.78 38.99 2rdx n ASN 285 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rdx n ARG 286 N 1.40 -7.31 -3.69 3.52 1.74 -0.08 -5.00 116.66 107.24 2rdx n ARG 286 Ca 0.22 0.80 -0.37 0.00 -0.77 0.00 0.00 57.85 57.72 2rdx n ARG 286 Cb 0.56 -5.81 -0.12 0.00 -1.02 0.00 0.00 32.46 26.07 2rdx n ARG 286 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2rdx s MET 287 N -6.13 3.83 0.52 5.56 1.75 0.05 -5.02 119.30 119.85 2rdx s MET 287 Ca 0.45 -0.39 -0.23 0.00 -1.25 0.00 0.00 55.69 54.27 2rdx s MET 287 Cb -0.20 -3.48 -0.06 0.00 2.84 0.00 0.00 34.83 33.93 2rdx s MET 287 CO 0.74 -0.14 1.37 -2.14 -0.65 0.00 0.00 175.02 174.20 2rdx s PRO 288 N 1.57 3.31 0.06 4.11 0.02 -1.26 -4.24 135.00 138.58 2rdx s PRO 288 Ca 0.06 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.37 2rdx s PRO 288 Cb -0.15 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 2rdx s PRO 288 CO 0.07 -1.06 -0.07 0.14 -0.33 0.00 0.00 177.00 175.75 2rdx s VAL 289 N -1.29 0.58 -0.14 3.83 -7.23 -0.02 -1.76 120.40 114.37 2rdx s VAL 289 Ca 0.68 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 2rdx s VAL 289 Cb -0.41 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 2rdx s VAL 289 CO 0.49 -0.56 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.00 2rdx s VAL 290 N -2.18 3.91 -0.34 1.32 1.01 -0.77 -0.56 120.40 122.78 2rdx s VAL 290 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2rdx s VAL 290 Cb -0.05 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2rdx s VAL 290 CO -0.02 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.74 2rdx s ALA 291 N 0.15 3.14 0.00 5.51 0.00 -0.95 -0.08 121.76 129.53 2rdx s ALA 291 Ca -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2rdx s ALA 291 Cb -0.14 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2rdx s ALA 291 CO 0.03 -1.27 0.00 -0.85 0.00 0.00 0.00 175.76 173.66 2rdx n GLU 292 N 4.89 0.00 -3.82 0.00 0.28 -0.48 -4.18 120.64 117.33 2rdx n GLU 292 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.75 2rdx n GLU 292 Cb 0.46 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.31 2rdx n GLU 292 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2rdx n ASP 293 N 0.00 -1.58 0.15 -1.84 2.03 -1.26 -1.37 116.55 112.68 2rdx n ASP 293 Ca 0.00 -2.74 -0.13 0.00 0.52 0.00 0.00 54.79 52.44 2rdx n ASP 293 Cb 0.00 2.82 -0.08 0.00 -0.72 0.00 0.00 41.12 43.14 2rdx n ASP 293 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2rdx h SER 294 N 1.90 -0.35 -5.37 1.67 4.64 -1.91 -3.47 113.55 110.67 2rdx h SER 294 Ca -0.28 -0.18 0.17 0.00 -0.47 0.00 0.00 61.79 61.03 2rdx h SER 294 Cb 1.16 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2rdx h SER 294 CO 0.37 0.04 0.53 0.86 -0.87 0.00 0.00 176.83 177.76 2rdx s TRP 295 N -4.48 -0.05 -4.23 4.77 -0.11 -1.10 -4.52 118.94 109.21 2rdx s TRP 295 Ca -0.14 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 56.89 2rdx s TRP 295 Cb 0.02 0.66 0.00 0.00 -1.50 0.00 0.00 33.47 32.65 2rdx s TRP 295 CO 0.52 -0.86 0.00 0.41 -4.62 0.00 0.00 176.95 172.41 2rdx n GLY 296 N -0.55 1.00 0.00 5.86 0.00 -1.26 -4.21 105.19 106.03 2rdx n GLY 296 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2rdx n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 297 N -1.71 1.86 0.25 -0.02 0.00 -1.26 -2.75 105.19 101.56 2rdx n GLY 297 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.18 2rdx n GLY 297 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rdx h GLU 298 N 0.00 0.30 -0.01 1.61 3.07 -1.90 -1.04 114.58 116.62 2rdx h GLU 298 Ca 0.00 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.55 2rdx h GLU 298 Cb 0.00 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2rdx h GLU 298 CO 0.00 0.40 -0.95 0.82 -1.40 0.00 0.00 179.01 177.88 2rdx h ILE 299 N 0.29 1.30 -0.35 3.13 2.04 -1.89 -1.69 117.51 120.34 2rdx h ILE 299 Ca 0.06 -2.20 -0.13 0.00 1.00 0.00 0.00 64.86 63.59 2rdx h ILE 299 Cb 0.34 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2rdx h ILE 299 CO 0.02 0.68 -0.32 0.00 0.00 0.00 0.00 178.15 178.52 2rdx h ALA 300 N 0.39 0.78 -0.08 1.87 0.00 -1.78 -3.16 119.26 117.27 2rdx h ALA 300 Ca -0.12 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2rdx h ALA 300 Cb 1.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2rdx h ALA 300 CO 0.19 0.65 -0.46 0.77 0.00 0.00 0.00 179.25 180.40 2rdx h SER 301 N 0.65 0.20 -0.62 0.00 0.02 -1.18 -2.52 113.55 110.09 2rdx h SER 301 Ca 0.07 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2rdx h SER 301 Cb 0.86 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2rdx h SER 301 CO 0.07 0.64 0.08 0.00 -1.14 0.00 0.00 176.83 176.48 2rdx h ALA 302 N 1.37 0.94 -0.30 3.77 0.00 -1.30 -0.91 119.26 122.83 2rdx h ALA 302 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2rdx h ALA 302 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2rdx h ALA 302 CO 0.07 0.65 0.08 0.00 0.00 0.00 0.00 179.25 180.05 2rdx h ALA 303 N 1.09 0.39 -0.31 0.00 0.00 -1.49 -2.80 119.26 116.14 2rdx h ALA 303 Ca 0.19 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2rdx h ALA 303 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2rdx h ALA 303 CO 0.02 0.05 -0.01 0.28 0.00 0.00 0.00 179.25 179.58 2rdx h VAL 304 N 0.32 0.77 -0.51 0.00 2.07 -1.27 -1.47 116.25 116.15 2rdx h VAL 304 Ca 0.09 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2rdx h VAL 304 Cb 0.28 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2rdx h VAL 304 CO 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 2rdx h ALA 305 N 1.27 1.01 -0.46 1.67 0.00 -1.14 0.68 119.26 122.29 2rdx h ALA 305 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2rdx h ALA 305 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2rdx h ALA 305 CO -0.25 0.61 -0.23 0.45 0.00 0.00 0.00 179.25 179.82 2rdx h HIS 306 N 0.81 1.12 -0.74 0.00 3.86 -1.42 -0.86 115.15 117.92 2rdx h HIS 306 Ca 0.15 -0.28 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 2rdx h HIS 306 Cb 0.51 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 2rdx h HIS 306 CO 0.03 1.10 0.46 0.35 0.86 0.00 0.00 177.93 180.74 2rdx h PHE 307 N 0.82 0.87 -0.09 2.45 3.57 -0.88 -2.44 116.94 121.23 2rdx h PHE 307 Ca 0.10 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.43 2rdx h PHE 307 Cb 0.81 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2rdx h PHE 307 CO 0.06 0.48 -0.75 0.00 -2.23 0.00 0.00 178.31 175.87 2rdx h ALA 308 N 1.33 0.52 0.00 2.41 0.00 -0.75 -3.23 119.26 119.55 2rdx h ALA 308 Ca 0.31 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2rdx h ALA 308 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2rdx h ALA 308 CO -0.13 0.75 -0.27 0.00 0.00 0.00 0.00 179.25 179.60 2rdx h ALA 309 N 0.84 1.28 -0.13 0.00 0.00 -0.99 -2.21 119.26 118.06 2rdx h ALA 309 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2rdx h ALA 309 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2rdx h ALA 309 CO 0.13 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 2rdx n SER 310 N -3.82 1.79 -4.72 0.00 3.41 -0.93 -0.17 113.62 109.17 2rdx n SER 310 Ca -0.01 -1.67 -0.37 0.00 -0.26 0.00 0.00 58.87 56.55 2rdx n SER 310 Cb 0.36 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 2rdx n SER 310 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rdx s THR 311 N -1.85 5.25 0.01 6.66 2.01 -0.83 -4.69 115.64 122.20 2rdx s THR 311 Ca 0.34 0.73 -0.38 0.00 0.31 0.00 0.00 61.69 62.70 2rdx s THR 311 Cb 0.19 -3.72 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 2rdx s THR 311 CO 0.29 0.35 1.37 -2.65 -0.69 0.00 0.00 174.62 173.30 2rdx n PRO 312 N 3.67 0.99 -0.34 4.92 -0.02 -1.26 -3.48 135.00 139.48 2rdx n PRO 312 Ca -0.10 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 2rdx n PRO 312 Cb 0.52 -1.99 0.27 0.00 -0.02 0.00 0.00 33.50 32.28 2rdx n PRO 312 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2rdx h GLU 313 N 4.77 0.78 0.00 -0.52 4.81 -1.74 -1.26 114.58 121.42 2rdx h GLU 313 Ca -0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2rdx h GLU 313 Cb 1.35 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2rdx h GLU 313 CO 0.79 0.52 -0.03 1.05 -0.73 0.00 0.00 179.01 180.62 2rdx h GLU 314 N 0.81 0.00 -0.03 1.92 4.11 -1.90 -3.05 114.58 116.44 2rdx h GLU 314 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2rdx h GLU 314 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2rdx h GLU 314 CO -0.34 0.03 0.00 1.19 0.07 0.00 0.00 179.01 179.96 2rdx n PHE 315 N -3.15 0.02 -3.28 2.06 3.72 -0.55 -4.96 117.46 111.32 2rdx n PHE 315 Ca -0.00 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2rdx n PHE 315 Cb 0.27 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.73 2rdx n PHE 315 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2rdx s LEU 316 N -0.78 4.32 -0.11 4.37 2.96 -0.76 -0.84 118.68 127.83 2rdx s LEU 316 Ca 0.11 0.00 -0.23 0.00 -0.22 0.00 0.00 54.13 53.79 2rdx s LEU 316 Cb 0.08 -2.54 -0.20 0.00 0.50 0.00 0.00 46.19 44.03 2rdx s LEU 316 CO 0.12 -0.42 0.72 0.40 -1.32 0.00 0.00 176.35 175.85 2rdx h ILE 317 N 5.57 1.37 -2.68 6.68 1.08 -1.15 -3.46 117.51 124.91 2rdx h ILE 317 Ca -0.29 -1.87 0.11 0.00 -0.39 0.00 0.00 64.86 62.42 2rdx h ILE 317 Cb 1.13 2.52 -0.05 0.00 -3.07 0.00 0.00 36.82 37.35 2rdx h ILE 317 CO 0.74 0.44 0.38 0.54 -0.69 0.00 0.00 178.15 179.56 2rdx s ASN 318 N -5.97 -0.15 0.00 1.72 2.20 -1.26 -4.65 114.94 106.83 2rdx s ASN 318 Ca -0.15 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 51.14 2rdx s ASN 318 Cb -0.02 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 2rdx s ASN 318 CO 0.56 -1.19 0.00 -0.24 -2.94 0.00 0.00 177.10 173.29 2rdx n SER 319 N -0.72 0.57 -3.82 3.54 2.88 0.94 -2.24 113.62 114.77 2rdx n SER 319 Ca -0.05 -0.85 -0.12 0.00 -1.33 0.00 0.00 58.87 56.51 2rdx n SER 319 Cb 0.60 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 2rdx n SER 319 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2rdx s THR 320 N -1.53 0.03 -1.30 2.46 -1.32 -1.26 -4.19 115.64 108.53 2rdx s THR 320 Ca 0.00 -0.21 -0.14 0.00 -1.21 0.00 0.00 61.69 60.13 2rdx s THR 320 Cb 0.00 -0.33 0.12 0.00 -1.51 0.00 0.00 72.50 70.77 2rdx s THR 320 CO 0.00 -0.11 1.76 -0.90 -2.21 0.00 0.00 174.62 173.15 2rdx n ASP 321 N 2.49 4.88 -0.28 8.08 5.75 -1.26 -4.86 116.55 131.34 2rdx n ASP 321 Ca -0.16 -2.97 0.04 0.00 -0.01 0.00 0.00 54.79 51.70 2rdx n ASP 321 Cb 0.58 -1.62 0.26 0.00 -1.03 0.00 0.00 41.12 39.31 2rdx n ASP 321 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2rdx h LEU 322 N 10.20 0.87 -2.41 -2.12 3.38 -1.91 -2.17 115.31 121.15 2rdx h LEU 322 Ca 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2rdx h LEU 322 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2rdx h LEU 322 CO 1.50 0.56 -0.03 0.00 0.09 0.00 0.00 178.44 180.56 2rdx h MET 323 N 0.99 0.00 -0.07 1.13 -0.00 -1.70 -2.59 114.93 112.68 2rdx h MET 323 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.07 2rdx h MET 323 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2rdx h MET 323 CO -0.13 0.03 0.00 0.09 -0.00 0.00 0.00 176.91 176.90 2rdx n ASN 324 N -3.57 0.80 -0.16 -0.10 3.02 -0.82 -3.39 115.26 111.04 2rdx n ASN 324 Ca -0.03 -1.54 0.11 0.00 -0.03 0.00 0.00 54.58 53.10 2rdx n ASN 324 Cb 0.13 -0.05 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 2rdx n ASN 324 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rdx n TYR 325 N -0.26 0.00 -4.32 3.10 4.02 -0.97 -4.94 117.16 113.79 2rdx n TYR 325 Ca 0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.76 2rdx n TYR 325 Cb 0.20 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 2rdx n TYR 325 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2rdx s ASN 326 N -2.80 3.94 0.06 7.72 0.01 -1.22 -1.52 114.94 121.13 2rdx s ASN 326 Ca 0.13 -0.61 0.24 0.00 -0.71 0.00 0.00 52.86 51.92 2rdx s ASN 326 Cb 0.17 -0.56 0.36 0.00 0.41 0.00 0.00 41.25 41.63 2rdx s ASN 326 CO 0.72 0.15 1.31 0.35 -1.51 0.00 0.00 177.10 178.12 2rdx n THR 327 N 0.48 0.20 -4.39 1.60 -2.24 -0.73 -4.85 114.28 104.35 2rdx n THR 327 Ca -0.14 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 2rdx n THR 327 Cb 0.54 0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 2rdx n THR 327 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rdx s ARG 328 N -3.11 2.01 0.18 -0.78 0.52 -1.26 -5.03 118.95 111.48 2rdx s ARG 328 Ca 0.08 -1.79 0.10 0.00 -0.52 0.00 0.00 55.73 53.59 2rdx s ARG 328 Cb 0.15 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 2rdx s ARG 328 CO 0.73 0.14 -0.17 -1.12 0.02 0.00 0.00 175.30 174.90 2rdx s SER 329 N -3.69 3.87 -0.05 0.23 0.01 -1.26 -4.93 113.70 107.89 2rdx s SER 329 Ca 0.34 -0.70 0.10 0.00 1.31 0.00 0.00 55.95 57.00 2rdx s SER 329 Cb 0.00 -0.50 -0.15 0.00 0.21 0.00 0.00 66.02 65.58 2rdx s SER 329 CO 0.19 0.12 0.16 0.35 0.41 0.00 0.00 173.24 174.47 2rdx n THR 330 N 0.20 0.25 -3.95 1.44 -2.24 -1.26 -4.66 114.28 104.06 2rdx n THR 330 Ca -0.12 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 2rdx n THR 330 Cb 0.55 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 2rdx n THR 330 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rdx s GLY 331 N -3.59 0.35 -0.26 3.38 0.00 -1.26 -1.87 107.32 104.06 2rdx s GLY 331 Ca -0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 44.72 43.71 2rdx s GLY 331 CO 0.43 -0.95 0.15 1.08 0.00 0.00 0.00 173.10 173.81 2rdx s LEU 332 N -2.92 3.89 0.00 0.66 1.02 0.22 -4.61 118.68 116.94 2rdx s LEU 332 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.22 2rdx s LEU 332 Cb 0.05 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.20 2rdx s LEU 332 CO -0.07 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.89 2rdx n GLY 333 N 4.85 0.94 2.32 -3.19 0.00 -1.26 -1.87 105.19 106.97 2rdx n GLY 333 Ca -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2rdx n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdx n GLY 334 N 0.00 -1.81 3.88 -0.02 0.00 -0.77 -4.91 105.19 101.56 2rdx n GLY 334 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 2rdx n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rdx s PRO 335 N 0.00 2.01 0.21 1.61 0.04 -1.26 -4.74 135.00 132.87 2rdx s PRO 335 Ca 0.00 0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.30 2rdx s PRO 335 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2rdx s PRO 335 CO 0.00 -1.58 -0.08 0.95 0.04 0.00 0.00 177.00 176.33 2rdx s THR 336 N -3.50 1.40 -0.12 1.26 -4.23 -0.63 -4.99 115.64 104.82 2rdx s THR 336 Ca 0.62 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2rdx s THR 336 Cb -0.12 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 2rdx s THR 336 CO 0.50 -0.50 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.20 2rdx s VAL 337 N -3.18 2.44 -0.08 2.29 1.01 -1.26 -0.47 120.40 121.13 2rdx s VAL 337 Ca 0.24 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2rdx s VAL 337 Cb 0.03 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.46 2rdx s VAL 337 CO 0.07 0.54 0.02 -2.28 0.00 0.00 0.00 175.10 173.45 2rdx s HIS 338 N 0.51 0.54 -1.45 5.22 5.04 -0.68 -4.89 115.29 119.57 2rdx s HIS 338 Ca -0.12 -0.14 -0.08 0.00 -1.54 0.00 0.00 55.06 53.18 2rdx s HIS 338 Cb -0.17 -0.74 0.05 0.00 0.04 0.00 0.00 32.58 31.76 2rdx s HIS 338 CO 0.05 -0.33 0.79 1.04 -2.34 0.00 0.00 174.74 173.94 2rdx n GLN 339 N 5.18 -4.79 -1.06 2.88 6.02 -1.26 -2.36 117.38 121.99 2rdx n GLN 339 Ca -0.06 0.56 -0.02 0.00 -0.01 0.00 0.00 57.00 57.46 2rdx n GLN 339 Cb 0.50 -5.21 -0.01 0.00 1.02 0.00 0.00 30.24 26.54 2rdx n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rdx n GLY 340 N -1.67 0.56 3.19 1.08 0.00 -1.22 -4.58 105.19 102.54 2rdx n GLY 340 Ca -0.12 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 2rdx n GLY 340 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rdx s ARG 341 N -1.87 1.15 -0.21 1.61 0.52 -0.99 -2.54 118.95 116.62 2rdx s ARG 341 Ca 0.00 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 2rdx s ARG 341 Cb 0.00 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 2rdx s ARG 341 CO 0.00 0.31 0.37 -1.17 0.02 0.00 0.00 175.30 174.83 2rdx s LEU 342 N -1.11 4.14 -0.15 2.53 0.20 0.16 -1.69 118.68 122.76 2rdx s LEU 342 Ca 0.04 0.45 -0.02 0.00 0.69 0.00 0.00 54.13 55.30 2rdx s LEU 342 Cb -0.08 -2.47 -0.02 0.00 -0.43 0.00 0.00 46.19 43.20 2rdx s LEU 342 CO 0.01 -0.08 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.60 2rdx s TYR 343 N 1.39 2.90 0.83 5.38 2.02 0.37 -1.43 117.35 128.81 2rdx s TYR 343 Ca 0.17 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 2rdx s TYR 343 Cb -0.15 -1.93 0.09 0.00 -0.40 0.00 0.00 41.96 39.58 2rdx s TYR 343 CO 0.08 -0.23 1.09 0.00 -1.57 0.00 0.00 175.55 174.92 2rdx s ALA 344 N 0.58 1.92 0.60 3.71 0.00 -1.26 -1.61 121.76 125.70 2rdx s ALA 344 Ca -0.06 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2rdx s ALA 344 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2rdx s ALA 344 CO 0.03 -2.05 1.03 -1.12 0.00 0.00 0.00 175.76 173.65 2rdx s SER 345 N -3.40 6.06 0.00 0.00 0.01 -1.26 -4.84 113.70 110.27 2rdx s SER 345 Ca 0.62 1.58 0.06 0.00 1.31 0.00 0.00 55.95 59.52 2rdx s SER 345 Cb -0.18 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.67 2rdx s SER 345 CO 0.56 -0.98 0.91 0.47 0.41 0.00 0.00 173.24 174.62 2rdx n ASP 346 N -2.39 2.01 -4.89 2.44 8.00 -1.26 -4.84 116.55 115.62 2rdx n ASP 346 Ca 0.07 -1.62 -0.30 0.00 0.71 0.00 0.00 54.79 53.65 2rdx n ASP 346 Cb 0.54 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 2rdx n ASP 346 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rdx s THR 347 N -0.75 4.91 0.50 -3.53 -4.23 -1.26 -4.42 115.64 106.85 2rdx s THR 347 Ca 0.10 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 2rdx s THR 347 Cb 0.06 -3.71 -0.08 0.00 1.34 0.00 0.00 72.50 70.11 2rdx s THR 347 CO 0.08 -0.35 0.97 -2.65 -0.54 0.00 0.00 174.62 172.13 2rdx n PRO 348 N -0.94 1.16 0.00 3.99 -0.02 -1.26 -3.92 135.00 134.01 2rdx n PRO 348 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2rdx n PRO 348 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2rdx n PRO 348 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rdx n GLY 349 N 1.25 -0.24 0.13 -1.23 0.00 -0.35 -3.81 105.19 100.95 2rdx n GLY 349 Ca 0.11 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.18 2rdx n GLY 349 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rdx h LEU 350 N 0.00 0.00 0.24 0.99 3.38 -1.84 -2.21 115.31 115.87 2rdx h LEU 350 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2rdx h LEU 350 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2rdx h LEU 350 CO 0.00 0.03 -0.05 0.61 0.09 0.00 0.00 178.44 179.12 2rdx n GLY 351 N 1.24 0.35 3.16 0.83 0.00 -1.25 -4.74 105.19 104.78 2rdx n GLY 351 Ca 0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2rdx n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rdx s VAL 352 N -2.09 -0.01 0.29 1.61 0.11 -1.26 -1.86 120.40 117.19 2rdx s VAL 352 Ca 0.00 0.03 0.11 0.00 -2.93 0.00 0.00 61.98 59.19 2rdx s VAL 352 Cb 0.00 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 2rdx s VAL 352 CO 0.00 0.01 -0.11 0.42 -3.33 0.00 0.00 175.10 172.09 2rdx s THR 353 N 0.42 2.74 0.39 5.04 -4.23 -0.78 -4.79 115.64 114.41 2rdx s THR 353 Ca -0.02 -2.21 -0.25 0.00 -1.18 0.00 0.00 61.69 58.03 2rdx s THR 353 Cb -0.04 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 2rdx s THR 353 CO -0.02 -0.35 1.13 -2.84 -0.54 0.00 0.00 174.62 172.00 2rdx s PRO 354 N -3.59 4.14 -0.93 3.99 0.02 -1.26 0.69 135.00 138.05 2rdx s PRO 354 Ca 0.31 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.91 2rdx s PRO 354 Cb -0.04 -2.69 0.14 0.00 0.02 0.00 0.00 34.50 31.93 2rdx s PRO 354 CO 0.17 -0.22 1.11 0.34 -0.33 0.00 0.00 177.00 178.06 2rdx s ASP 355 N -1.21 6.66 0.36 2.53 -1.08 -0.78 -4.45 116.67 118.70 2rdx s ASP 355 Ca 0.56 -2.15 0.11 0.00 -0.52 0.00 0.00 52.55 50.55 2rdx s ASP 355 Cb -0.29 -2.38 0.66 0.00 -1.46 0.00 0.00 42.92 39.46 2rdx s ASP 355 CO 0.36 -1.00 1.81 -0.26 0.52 0.00 0.00 175.17 176.60 2rdx h PHE 356 N 8.66 0.08 -0.87 -5.34 0.04 -1.93 -0.98 116.94 116.60 2rdx h PHE 356 Ca 0.16 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2rdx h PHE 356 Cb 1.02 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 2rdx h PHE 356 CO 1.15 0.43 0.52 -0.91 -0.60 0.00 0.00 178.31 178.90 2rdx h ASN 357 N 0.06 1.05 0.65 2.17 -0.26 -1.91 -2.33 115.58 115.01 2rdx h ASN 357 Ca 0.01 -0.07 -0.26 0.00 -0.56 0.00 0.00 56.30 55.42 2rdx h ASN 357 Cb 0.67 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2rdx h ASN 357 CO 0.05 0.81 -1.19 0.28 -1.06 0.00 0.00 177.43 176.32 2rdx h SER 358 N 1.20 0.39 0.31 5.81 0.02 -1.78 -3.37 113.55 116.13 2rdx h SER 358 Ca 0.31 -0.40 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 2rdx h SER 358 Cb -0.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 2rdx h SER 358 CO -0.06 1.30 -0.77 -0.07 -1.14 0.00 0.00 176.83 176.10 2rdx h LEU 359 N 0.08 0.45 0.00 5.07 3.38 -1.08 -3.48 115.31 119.73 2rdx h LEU 359 Ca -0.12 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2rdx h LEU 359 Cb 1.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2rdx h LEU 359 CO 0.19 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.39 2rdx n GLY 360 N 0.63 -1.72 3.76 0.83 0.00 -0.89 -4.46 105.19 103.34 2rdx n GLY 360 Ca -0.04 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 2rdx n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdx s ALA 361 N -1.41 3.43 0.38 4.61 0.00 -1.26 -4.91 121.76 122.60 2rdx s ALA 361 Ca 0.00 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.72 2rdx s ALA 361 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2rdx s ALA 361 CO 0.00 -0.34 1.31 -1.25 0.00 0.00 0.00 175.76 175.49 2rdx s PRO 362 N -1.59 4.09 0.40 0.00 0.04 -1.26 -4.77 135.00 131.91 2rdx s PRO 362 Ca 0.46 2.20 0.27 0.00 0.04 0.00 0.00 61.00 63.97 2rdx s PRO 362 Cb -0.35 -2.86 0.81 0.00 0.04 0.00 0.00 34.50 32.15 2rdx s PRO 362 CO 0.45 -0.41 1.76 -0.39 0.04 0.00 0.00 177.00 178.46 2rdx h VAL 363 N 2.66 0.00 -2.43 -0.36 -1.51 -1.44 -3.46 116.25 109.71 2rdx h VAL 363 Ca -0.49 -0.66 -0.08 0.00 -1.23 0.00 0.00 66.70 64.24 2rdx h VAL 363 Cb 1.24 1.62 -0.20 0.00 -2.13 0.00 0.00 31.29 31.82 2rdx h VAL 363 CO 0.63 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.95 2rdx s ALA 364 N -3.34 -1.35 -0.14 5.19 0.00 -1.22 -5.02 121.76 115.89 2rdx s ALA 364 Ca 0.06 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2rdx s ALA 364 Cb 0.08 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.10 2rdx s ALA 364 CO 0.58 -0.31 0.29 0.34 0.00 0.00 0.00 175.76 176.66 2rdx s ASP 365 N -0.93 0.03 -0.06 0.00 3.68 -1.26 -1.87 116.67 116.26 2rdx s ASP 365 Ca -0.10 0.65 0.04 0.00 2.13 0.00 0.00 52.55 55.28 2rdx s ASP 365 Cb -0.03 0.71 0.00 0.00 -1.45 0.00 0.00 42.92 42.16 2rdx s ASP 365 CO 0.06 -0.22 -0.19 0.26 0.13 0.00 0.00 175.17 175.22 2rdx s TRP 366 N 2.04 1.94 0.01 -5.34 0.51 -0.11 -5.01 118.94 112.98 2rdx s TRP 366 Ca -0.03 -0.66 -0.01 0.00 -2.12 0.00 0.00 56.10 53.28 2rdx s TRP 366 Cb -0.11 -1.32 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 2rdx s TRP 366 CO -0.09 -0.25 0.00 0.00 -0.51 0.00 0.00 176.95 176.09 2rdx s ALA 367 N 0.22 0.02 0.47 0.98 0.00 -1.26 -0.59 121.76 121.61 2rdx s ALA 367 Ca -0.10 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 2rdx s ALA 367 Cb -0.14 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2rdx s ALA 367 CO 0.04 -0.12 1.28 -0.51 0.00 0.00 0.00 175.76 176.45 2rdx s LEU 368 N -1.03 4.02 0.00 0.00 1.43 -0.65 -5.01 118.68 117.44 2rdx s LEU 368 Ca -0.11 2.59 0.22 0.00 -1.03 0.00 0.00 54.13 55.79 2rdx s LEU 368 Cb -0.07 -4.15 1.29 0.00 0.03 0.00 0.00 46.19 43.29 2rdx s LEU 368 CO -0.00 -1.14 1.66 -0.81 0.23 0.00 0.00 176.35 176.29