#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdg n ASP 4 N 0.00 0.00 -3.35 0.00 8.00 -1.26 -4.76 116.55 115.18 2cdg n ASP 4 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 2cdg n ASP 4 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2cdg n ASP 4 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2cdg s ILE 5 N -1.26 -0.96 -0.11 0.53 2.07 -1.26 -3.81 121.20 116.39 2cdg s ILE 5 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2cdg s ILE 5 Cb 0.00 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2cdg s ILE 5 CO 0.00 -0.01 -0.11 -0.31 -1.91 0.00 0.00 174.94 172.60 2cdg s TYR 6 N 2.84 2.84 0.02 3.50 1.51 -0.47 -4.43 117.35 123.16 2cdg s TYR 6 Ca 0.11 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 2cdg s TYR 6 Cb -0.14 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2cdg s TYR 6 CO -0.20 -0.06 -0.22 1.14 -1.11 0.00 0.00 175.55 175.10 2cdg s GLN 7 N 0.05 1.57 0.07 -0.62 -2.07 -1.26 -2.01 119.66 115.39 2cdg s GLN 7 Ca -0.04 -0.91 0.04 0.00 -1.82 0.00 0.00 55.36 52.63 2cdg s GLN 7 Cb -0.14 -1.64 -0.03 0.00 -1.09 0.00 0.00 33.01 30.11 2cdg s GLN 7 CO 0.04 0.43 -0.12 0.95 -1.32 0.00 0.00 175.29 175.27 2cdg s THR 8 N -0.71 0.94 0.44 3.63 -4.23 -1.09 -4.50 115.64 110.12 2cdg s THR 8 Ca 0.08 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 2cdg s THR 8 Cb -0.09 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 2cdg s THR 8 CO 0.01 -0.32 0.75 -2.16 -0.54 0.00 0.00 174.62 172.37 2cdg s PRO 9 N -1.86 3.62 0.23 3.99 0.04 -1.26 -2.01 135.00 137.75 2cdg s PRO 9 Ca -0.03 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.19 2cdg s PRO 9 Cb -0.09 -2.41 0.20 0.00 0.04 0.00 0.00 34.50 32.24 2cdg s PRO 9 CO 0.01 -0.11 1.85 -0.09 0.04 0.00 0.00 177.00 178.70 2cdg h ARG 10 N 0.67 1.26 -4.65 4.56 2.43 -1.82 -3.39 114.38 113.44 2cdg h ARG 10 Ca -0.47 -0.16 -0.30 0.00 -0.81 0.00 0.00 59.98 58.24 2cdg h ARG 10 Cb 1.20 -0.24 -0.22 0.00 -0.42 0.00 0.00 29.97 30.29 2cdg h ARG 10 CO 0.63 0.93 -0.74 0.71 -1.51 0.00 0.00 179.97 179.98 2cdg s TYR 11 N -5.81 0.73 -0.14 2.20 2.02 -1.26 -1.55 117.35 113.54 2cdg s TYR 11 Ca -0.13 -0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 56.07 2cdg s TYR 11 Cb 0.17 -0.43 0.07 0.00 -0.40 0.00 0.00 41.96 41.36 2cdg s TYR 11 CO 0.83 -0.06 0.31 -1.17 -1.57 0.00 0.00 175.55 173.89 2cdg s LEU 12 N -1.43 -0.23 -0.17 -1.29 2.96 -0.56 -4.92 118.68 113.04 2cdg s LEU 12 Ca -0.07 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2cdg s LEU 12 Cb -0.09 0.92 -0.01 0.00 0.50 0.00 0.00 46.19 47.51 2cdg s LEU 12 CO 0.01 -0.22 -0.11 0.54 -1.32 0.00 0.00 176.35 175.25 2cdg s VAL 13 N 2.16 3.02 0.10 1.68 0.11 -1.26 -0.74 120.40 125.47 2cdg s VAL 13 Ca -0.02 -0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2cdg s VAL 13 Cb -0.11 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2cdg s VAL 13 CO -0.10 0.49 0.00 0.27 -3.33 0.00 0.00 175.10 172.43 2cdg s ILE 14 N 0.94 0.30 1.04 7.04 -0.00 -0.90 -4.67 121.20 124.95 2cdg s ILE 14 Ca -0.02 -1.89 -0.16 0.00 -0.00 0.00 0.00 60.65 58.58 2cdg s ILE 14 Cb -0.15 -1.83 0.22 0.00 -0.00 0.00 0.00 42.46 40.70 2cdg s ILE 14 CO -0.01 -0.70 1.19 -0.83 -0.00 0.00 0.00 174.94 174.59 2cdg s GLY 15 N -3.02 1.65 0.20 6.27 0.00 -1.26 -1.17 107.32 109.98 2cdg s GLY 15 Ca 0.17 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 2cdg s GLY 15 CO -0.03 -0.16 0.81 -0.51 0.00 0.00 0.00 173.10 173.21 2cdg s THR 16 N -3.38 4.35 0.00 0.90 -4.23 -1.22 -4.16 115.64 107.90 2cdg s THR 16 Ca 0.70 1.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.90 2cdg s THR 16 Cb -0.09 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.65 2cdg s THR 16 CO 0.54 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 2cdg n GLY 17 N 1.29 0.89 3.49 3.99 0.00 0.25 -4.87 105.19 110.24 2cdg n GLY 17 Ca -0.04 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2cdg n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdg s LYS 18 N -0.90 1.78 -0.15 1.61 -0.14 -1.26 -4.62 119.74 116.07 2cdg s LYS 18 Ca 0.00 -1.23 -0.22 0.00 -1.36 0.00 0.00 55.97 53.16 2cdg s LYS 18 Cb 0.00 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 34.03 2cdg s LYS 18 CO 0.00 0.47 0.66 0.21 -0.76 0.00 0.00 175.35 175.93 2cdg s LYS 19 N -2.28 4.30 -0.07 1.68 2.20 -1.26 -1.84 119.74 122.47 2cdg s LYS 19 Ca 0.19 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 2cdg s LYS 19 Cb -0.10 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2cdg s LYS 19 CO 0.11 -0.13 -0.18 0.42 -0.36 0.00 0.00 175.35 175.21 2cdg s ILE 20 N 1.51 2.72 -0.14 5.43 1.09 -0.55 -4.99 121.20 126.27 2cdg s ILE 20 Ca 0.32 -0.82 0.01 0.00 -1.10 0.00 0.00 60.65 59.06 2cdg s ILE 20 Cb -0.16 -2.06 0.02 0.00 -1.06 0.00 0.00 42.46 39.19 2cdg s ILE 20 CO 0.13 0.57 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.47 2cdg s THR 21 N -0.24 1.76 -0.34 2.92 2.01 -1.26 -0.77 115.64 119.72 2cdg s THR 21 Ca 0.00 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 2cdg s THR 21 Cb -0.13 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 2cdg s THR 21 CO 0.03 0.49 0.21 -0.76 -0.69 0.00 0.00 174.62 173.90 2cdg s LEU 22 N 1.14 4.43 0.29 4.42 1.43 -0.01 -4.81 118.68 125.57 2cdg s LEU 22 Ca -0.01 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.27 2cdg s LEU 22 Cb -0.14 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 2cdg s LEU 22 CO -0.06 -0.25 0.88 -1.61 0.23 0.00 0.00 176.35 175.53 2cdg s GLU 23 N 1.66 4.51 -0.22 1.70 0.41 -0.85 -1.99 118.70 123.91 2cdg s GLU 23 Ca 0.05 1.20 -0.05 0.00 -0.41 0.00 0.00 54.97 55.76 2cdg s GLU 23 Cb -0.18 -2.86 0.11 0.00 -1.78 0.00 0.00 34.13 29.42 2cdg s GLU 23 CO 0.08 0.33 0.41 0.00 -0.49 0.00 0.00 175.26 175.59 2cdg s SER 25 N 2.59 1.86 0.00 0.00 1.04 -0.85 -1.17 113.70 117.18 2cdg s SER 25 Ca 0.05 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2cdg s SER 25 Cb -0.13 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2cdg s SER 25 CO -0.14 -0.07 -0.00 0.00 0.98 0.00 0.00 173.24 174.00 2cdg s GLN 26 N -1.97 0.04 0.00 4.02 1.03 -0.76 -1.37 119.66 120.65 2cdg s GLN 26 Ca 0.02 -0.04 0.19 0.00 0.04 0.00 0.00 55.36 55.57 2cdg s GLN 26 Cb -0.09 -0.02 -0.05 0.00 0.03 0.00 0.00 33.01 32.88 2cdg s GLN 26 CO 0.03 0.00 0.92 0.25 -2.54 0.00 0.00 175.29 173.95 2cdg n THR 27 N 3.00 0.00 0.38 3.63 -2.24 -1.25 -4.38 114.28 113.43 2cdg n THR 27 Ca -0.13 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 2cdg n THR 27 Cb 0.60 1.17 0.52 0.00 -2.10 0.00 0.00 70.33 70.52 2cdg n THR 27 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2cdg h MET 28 N 1.61 0.00 -0.05 -0.78 2.86 -1.89 -3.47 114.93 113.21 2cdg h MET 28 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2cdg h MET 28 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 2cdg h MET 28 CO 0.00 0.00 -0.01 0.41 1.06 0.00 0.00 176.91 178.37 2cdg n GLY 29 N 0.02 0.39 3.76 8.32 0.00 -1.26 -5.04 105.19 111.38 2cdg n GLY 29 Ca 0.02 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 2cdg n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cdg s HIS 30 N -2.02 2.54 -0.06 1.61 3.76 -1.26 -4.99 115.29 114.88 2cdg s HIS 30 Ca 0.00 1.54 0.13 0.00 -0.15 0.00 0.00 55.06 56.58 2cdg s HIS 30 Cb 0.00 -3.31 -0.23 0.00 1.11 0.00 0.00 32.58 30.15 2cdg s HIS 30 CO 0.00 -1.83 0.62 -0.40 -0.85 0.00 0.00 174.74 172.28 2cdg n ASP 31 N -1.81 0.82 -4.68 1.40 5.68 -1.24 -4.88 116.55 111.84 2cdg n ASP 31 Ca 0.12 0.38 -0.35 0.00 -0.50 0.00 0.00 54.79 54.44 2cdg n ASP 31 Cb 0.51 0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.41 2cdg n ASP 31 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2cdg s LYS 32 N -2.59 3.68 0.10 0.11 1.02 -1.23 -3.02 119.74 117.81 2cdg s LYS 32 Ca -0.05 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.64 2cdg s LYS 32 Cb 0.08 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2cdg s LYS 32 CO 0.82 0.45 -0.07 -1.64 -0.92 0.00 0.00 175.35 173.99 2cdg s MET 33 N -0.13 0.86 -0.04 1.68 -1.94 -1.12 -1.65 119.30 116.95 2cdg s MET 33 Ca 0.07 -1.31 -0.06 0.00 -1.71 0.00 0.00 55.69 52.67 2cdg s MET 33 Cb -0.12 -0.30 0.01 0.00 2.01 0.00 0.00 34.83 36.43 2cdg s MET 33 CO 0.01 0.01 0.16 0.71 -0.01 0.00 0.00 175.02 175.90 2cdg s TYR 34 N -3.39 -0.11 -0.19 -0.03 1.51 0.10 -1.62 117.35 113.63 2cdg s TYR 34 Ca 0.11 0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 56.39 2cdg s TYR 34 Cb 0.04 0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.89 2cdg s TYR 34 CO -0.03 -0.16 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.62 2cdg s TRP 35 N -0.41 2.96 0.04 2.71 0.52 0.35 -1.04 118.94 124.07 2cdg s TRP 35 Ca -0.05 -0.65 0.05 0.00 0.02 0.00 0.00 56.10 55.47 2cdg s TRP 35 Cb -0.03 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 2cdg s TRP 35 CO 0.01 -0.32 -0.10 0.71 0.02 0.00 0.00 176.95 177.27 2cdg s TYR 36 N 0.94 2.77 -0.04 -1.98 1.51 0.12 -1.44 117.35 119.24 2cdg s TYR 36 Ca -0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2cdg s TYR 36 Cb -0.15 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2cdg s TYR 36 CO 0.01 0.36 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.46 2cdg s GLN 37 N -1.64 2.40 -0.13 -0.62 0.74 -0.01 0.45 119.66 120.85 2cdg s GLN 37 Ca 0.18 -0.83 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 2cdg s GLN 37 Cb -0.11 -2.21 0.05 0.00 1.10 0.00 0.00 33.01 31.84 2cdg s GLN 37 CO 0.09 0.53 0.04 -1.14 -0.55 0.00 0.00 175.29 174.26 2cdg s GLN 38 N -0.51 0.41 0.93 1.67 0.74 0.18 -1.55 119.66 121.53 2cdg s GLN 38 Ca 0.07 -0.09 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 2cdg s GLN 38 Cb -0.11 -1.52 0.15 0.00 1.10 0.00 0.00 33.01 32.63 2cdg s GLN 38 CO 0.01 -0.51 1.13 -0.51 -0.55 0.00 0.00 175.29 174.86 2cdg s ASP 39 N 2.00 3.31 0.00 6.67 -0.00 -1.26 -1.95 116.67 125.44 2cdg s ASP 39 Ca 0.02 0.98 0.00 0.00 -0.00 0.00 0.00 52.55 53.55 2cdg s ASP 39 Cb -0.15 -1.55 0.00 0.00 -0.00 0.00 0.00 42.92 41.22 2cdg s ASP 39 CO -0.07 -2.68 0.39 -2.65 -0.00 0.00 0.00 175.17 170.16 2cdg n PRO 40 N -3.85 0.56 0.09 8.23 -0.02 -1.26 -2.67 135.00 136.08 2cdg n PRO 40 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 2cdg n PRO 40 Cb 0.59 -1.17 -0.06 0.00 -0.02 0.00 0.00 33.50 32.84 2cdg n PRO 40 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2cdg h GLY 41 N 3.28 -0.34 0.00 -1.23 0.00 -2.01 -3.49 103.07 99.28 2cdg h GLY 41 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2cdg h GLY 41 CO 0.00 -0.12 0.00 1.15 0.00 0.00 0.00 176.54 177.57 2cdg n MET 42 N -4.99 0.00 -3.38 4.80 0.00 -1.09 -5.15 117.12 107.31 2cdg n MET 42 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.28 2cdg n MET 42 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.39 2cdg n MET 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2cdg s GLU 43 N 0.00 3.97 0.07 3.17 2.12 -1.26 -4.93 118.70 121.84 2cdg s GLU 43 Ca 0.00 0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.62 2cdg s GLU 43 Cb 0.00 -2.98 -0.07 0.00 0.26 0.00 0.00 34.13 31.35 2cdg s GLU 43 CO 0.00 0.51 0.54 -0.51 -0.54 0.00 0.00 175.26 175.26 2cdg s LEU 44 N -1.85 4.51 -0.02 2.70 1.02 -1.26 -4.07 118.68 119.70 2cdg s LEU 44 Ca 0.36 1.20 0.01 0.00 0.02 0.00 0.00 54.13 55.73 2cdg s LEU 44 Cb -0.15 -2.88 0.01 0.00 0.02 0.00 0.00 46.19 43.19 2cdg s LEU 44 CO 0.19 0.27 -0.05 -1.00 0.02 0.00 0.00 176.35 175.78 2cdg s HIS 45 N -1.14 0.61 -0.25 0.29 3.76 -0.59 -4.98 115.29 112.99 2cdg s HIS 45 Ca 0.29 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.80 2cdg s HIS 45 Cb -0.19 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.01 2cdg s HIS 45 CO 0.18 -0.10 0.93 -1.17 -0.85 0.00 0.00 174.74 173.73 2cdg s LEU 46 N 0.44 4.08 -0.14 0.89 2.96 -1.26 -0.83 118.68 124.81 2cdg s LEU 46 Ca -0.05 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2cdg s LEU 46 Cb -0.09 -3.35 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 2cdg s LEU 46 CO -0.00 -0.61 -0.10 2.30 -1.32 0.00 0.00 176.35 176.62 2cdg n ILE 47 N 5.35 0.83 -3.95 6.68 -5.35 -0.52 -0.40 119.36 122.00 2cdg n ILE 47 Ca 0.08 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 2cdg n ILE 47 Cb 0.47 -0.95 -0.10 0.00 -1.74 0.00 0.00 39.64 37.31 2cdg n ILE 47 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2cdg s HIS 48 N -2.29 0.21 0.03 4.28 3.76 -0.93 -0.91 115.29 119.44 2cdg s HIS 48 Ca -0.17 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 2cdg s HIS 48 Cb 0.05 -0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.61 2cdg s HIS 48 CO 0.37 -0.28 0.35 1.52 -0.85 0.00 0.00 174.74 175.85 2cdg s TYR 49 N -1.96 -0.19 -0.02 1.40 -0.85 -1.06 0.13 117.35 114.80 2cdg s TYR 49 Ca -0.11 0.16 0.04 0.00 -0.52 0.00 0.00 57.07 56.64 2cdg s TYR 49 Cb -0.06 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 2cdg s TYR 49 CO -0.02 -0.50 -0.12 0.45 -1.52 0.00 0.00 175.55 173.83 2cdg s SER 50 N -1.85 1.49 0.00 -0.18 0.15 -0.64 -1.51 113.70 111.17 2cdg s SER 50 Ca -0.07 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 56.61 2cdg s SER 50 Cb -0.02 -0.27 0.71 0.00 -1.71 0.00 0.00 66.02 64.74 2cdg s SER 50 CO -0.01 0.13 1.55 -1.22 1.20 0.00 0.00 173.24 174.89 2cdg n TYR 51 N 2.97 0.00 -2.83 3.44 0.53 -1.26 -2.81 117.16 117.21 2cdg n TYR 51 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 2cdg n TYR 51 Cb 0.55 -0.22 0.00 0.00 -1.03 0.00 0.00 39.34 38.64 2cdg n TYR 51 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2cdg n GLY 52 N 1.43 -0.91 3.72 2.72 0.00 -1.17 -4.56 105.19 106.41 2cdg n GLY 52 Ca 0.09 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2cdg n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cdg s VAL 53 N -2.69 3.05 -0.09 1.61 1.01 -1.26 -2.06 120.40 119.97 2cdg s VAL 53 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2cdg s VAL 53 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2cdg s VAL 53 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.75 2cdg n ASN 54 N 3.96 -3.31 -4.15 3.32 4.13 -1.07 -5.04 115.26 113.10 2cdg n ASN 54 Ca 0.12 0.02 -0.33 0.00 1.68 0.00 0.00 54.58 56.07 2cdg n ASN 54 Cb 0.41 -0.88 -0.15 0.00 -1.54 0.00 0.00 39.78 37.61 2cdg n ASN 54 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2cdg s SER 55 N -2.37 3.60 -0.01 6.41 0.15 -0.87 -5.08 113.70 115.53 2cdg s SER 55 Ca 0.00 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.92 2cdg s SER 55 Cb 0.00 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2cdg s SER 55 CO 0.00 -0.04 -0.06 0.42 1.20 0.00 0.00 173.24 174.76 2cdg s THR 56 N 1.29 0.50 -0.02 6.45 -4.23 -1.26 -3.98 115.64 114.39 2cdg s THR 56 Ca 0.03 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2cdg s THR 56 Cb -0.15 -0.45 0.03 0.00 1.34 0.00 0.00 72.50 73.27 2cdg s THR 56 CO -0.10 0.16 0.01 -1.61 -0.54 0.00 0.00 174.62 172.54 2cdg s GLU 57 N 0.09 0.18 0.56 3.99 0.41 -0.57 -5.02 118.70 118.34 2cdg s GLU 57 Ca -0.01 0.10 -0.21 0.00 -0.41 0.00 0.00 54.97 54.44 2cdg s GLU 57 Cb -0.05 -0.38 -0.04 0.00 -1.78 0.00 0.00 34.13 31.87 2cdg s GLU 57 CO -0.00 -0.13 1.34 0.15 -0.49 0.00 0.00 175.26 176.13 2cdg s LYS 58 N 0.95 3.07 0.00 1.61 -0.14 -1.26 -2.56 119.74 121.40 2cdg s LYS 58 Ca -0.09 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 2cdg s LYS 58 Cb -0.12 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2cdg s LYS 58 CO -0.02 -1.23 0.00 0.41 -0.76 0.00 0.00 175.35 173.75 2cdg n GLY 59 N 0.74 1.70 0.36 -3.33 0.00 -0.09 -4.82 105.19 99.74 2cdg n GLY 59 Ca 0.11 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 2cdg n GLY 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cdg h ASP 60 N 0.00 -0.73 -3.38 1.61 3.45 -1.01 -3.43 116.42 112.93 2cdg h ASP 60 Ca 0.00 -0.01 -0.66 0.00 0.43 0.00 0.00 57.03 56.79 2cdg h ASP 60 Cb 0.00 0.19 -0.27 0.00 -0.56 0.00 0.00 39.33 38.69 2cdg h ASP 60 CO 0.00 -0.43 -0.72 -0.76 -1.57 0.00 0.00 179.24 175.76 2cdg s LEU 61 N -9.82 2.92 -0.28 1.55 1.43 -1.17 -5.05 118.68 108.25 2cdg s LEU 61 Ca -0.16 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 2cdg s LEU 61 Cb 0.03 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2cdg s LEU 61 CO 0.55 0.03 1.18 -0.44 0.23 0.00 0.00 176.35 177.90 2cdg s SER 62 N 1.20 6.87 0.48 2.29 0.01 -1.26 -4.66 113.70 118.62 2cdg s SER 62 Ca 0.02 1.24 0.07 0.00 1.31 0.00 0.00 55.95 58.60 2cdg s SER 62 Cb -0.14 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.56 2cdg s SER 62 CO -0.01 -0.90 0.47 -0.94 0.41 0.00 0.00 173.24 172.27 2cdg s SER 63 N 2.03 4.99 -1.13 2.44 1.04 -1.26 -5.05 113.70 116.76 2cdg s SER 63 Ca 0.50 -0.88 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 2cdg s SER 63 Cb -0.16 -0.15 0.27 0.00 0.10 0.00 0.00 66.02 66.09 2cdg s SER 63 CO 0.17 -0.91 1.33 -1.84 0.98 0.00 0.00 173.24 172.96 2cdg n GLU 64 N -1.76 3.84 -4.02 4.02 0.28 -1.26 -4.97 120.64 116.78 2cdg n GLU 64 Ca 0.05 -4.36 -0.09 0.00 -0.16 0.00 0.00 57.16 52.60 2cdg n GLU 64 Cb 0.62 -2.62 -0.09 0.00 1.43 0.00 0.00 31.44 30.79 2cdg n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2cdg s SER 65 N 0.44 0.25 0.07 -1.84 1.04 -1.26 -4.54 113.70 107.85 2cdg s SER 65 Ca 0.33 -0.94 0.05 0.00 0.48 0.00 0.00 55.95 55.87 2cdg s SER 65 Cb -0.03 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 2cdg s SER 65 CO -0.00 -0.73 -0.13 0.42 0.98 0.00 0.00 173.24 173.78 2cdg s THR 66 N -3.95 1.03 0.16 2.02 -4.23 0.36 -4.97 115.64 106.07 2cdg s THR 66 Ca 0.13 -1.27 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 2cdg s THR 66 Cb 0.06 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2cdg s THR 66 CO -0.05 -0.25 -0.21 0.68 -0.54 0.00 0.00 174.62 174.25 2cdg s VAL 67 N -1.29 1.99 0.01 2.29 -7.23 -1.26 -0.23 120.40 114.67 2cdg s VAL 67 Ca -0.03 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 2cdg s VAL 67 Cb -0.10 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 2cdg s VAL 67 CO 0.02 -0.20 -0.09 -0.55 -0.31 0.00 0.00 175.10 173.97 2cdg s SER 68 N -2.53 1.10 -0.39 4.85 0.15 -1.14 -4.99 113.70 110.76 2cdg s SER 68 Ca 0.16 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.57 2cdg s SER 68 Cb -0.07 -0.09 0.15 0.00 -1.71 0.00 0.00 66.02 64.30 2cdg s SER 68 CO 0.07 0.05 0.27 -0.60 1.20 0.00 0.00 173.24 174.24 2cdg s ARG 69 N -0.55 0.77 0.00 5.44 6.06 -1.26 -3.68 118.95 125.73 2cdg s ARG 69 Ca 0.01 -1.73 0.20 0.00 -2.50 0.00 0.00 55.73 51.71 2cdg s ARG 69 Cb -0.05 -1.43 -0.12 0.00 0.06 0.00 0.00 34.95 33.41 2cdg s ARG 69 CO 0.00 -1.29 0.90 0.44 -2.50 0.00 0.00 175.30 172.86 2cdg n ILE 70 N 3.47 0.00 -3.74 4.11 -5.35 -1.26 -2.61 119.36 113.97 2cdg n ILE 70 Ca 0.20 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.39 2cdg n ILE 70 Cb 0.42 1.11 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 2cdg n ILE 70 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2cdg s ARG 71 N -2.59 0.47 0.42 6.28 0.52 -1.26 -5.00 118.95 117.80 2cdg s ARG 71 Ca 0.11 0.53 0.23 0.00 -0.52 0.00 0.00 55.73 56.08 2cdg s ARG 71 Cb 0.15 0.23 1.22 0.00 0.52 0.00 0.00 34.95 37.07 2cdg s ARG 71 CO 0.67 -0.06 1.75 1.15 0.02 0.00 0.00 175.30 178.83 2cdg h THR 72 N 4.49 0.44 -0.01 0.02 2.02 -1.94 -1.94 112.91 115.99 2cdg h THR 72 Ca -0.27 -0.10 -0.24 0.00 0.77 0.00 0.00 66.41 66.57 2cdg h THR 72 Cb 1.18 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2cdg h THR 72 CO 0.26 0.05 -0.96 -0.33 0.37 0.00 0.00 175.52 174.91 2cdg h GLU 73 N 0.29 0.53 -5.99 6.66 3.07 -1.91 -3.46 114.58 113.77 2cdg h GLU 73 Ca 0.63 -0.56 -0.68 0.00 -0.50 0.00 0.00 59.36 58.25 2cdg h GLU 73 Cb 1.79 0.16 -0.16 0.00 -0.84 0.00 0.00 28.75 29.70 2cdg h GLU 73 CO -0.28 1.19 -0.64 -1.01 -1.40 0.00 0.00 179.01 176.87 2cdg s HIS 74 N -3.32 3.11 -0.41 4.33 3.76 -0.73 -1.84 115.29 120.20 2cdg s HIS 74 Ca -0.07 0.15 0.08 0.00 -0.15 0.00 0.00 55.06 55.07 2cdg s HIS 74 Cb 0.08 -1.78 0.26 0.00 1.11 0.00 0.00 32.58 32.25 2cdg s HIS 74 CO 0.89 0.43 0.55 0.34 -0.85 0.00 0.00 174.74 176.10 2cdg n PHE 75 N 2.19 -0.00 -1.63 1.40 7.35 -0.31 -4.44 117.46 122.02 2cdg n PHE 75 Ca -0.18 -3.63 -0.32 0.00 -0.76 0.00 0.00 57.45 52.56 2cdg n PHE 75 Cb 0.53 -0.37 0.06 0.00 0.35 0.00 0.00 39.48 40.05 2cdg n PHE 75 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cdg s PRO 76 N -1.38 2.70 -0.09 -7.13 0.04 -1.24 -4.27 135.00 123.62 2cdg s PRO 76 Ca 0.36 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2cdg s PRO 76 Cb 0.18 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.80 2cdg s PRO 76 CO -0.10 -1.32 -0.05 -1.17 0.04 0.00 0.00 177.00 174.41 2cdg s LEU 77 N -5.17 0.98 -0.11 -3.56 1.98 -0.84 -2.88 118.68 109.08 2cdg s LEU 77 Ca 0.65 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 51.66 2cdg s LEU 77 Cb -0.19 -0.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.97 2cdg s LEU 77 CO 0.46 -0.14 -0.04 -0.89 -1.89 0.00 0.00 176.35 173.84 2cdg s THR 78 N 1.74 3.87 -0.34 3.68 2.01 0.68 -0.83 115.64 126.44 2cdg s THR 78 Ca 0.04 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2cdg s THR 78 Cb -0.13 -2.64 0.06 0.00 0.01 0.00 0.00 72.50 69.80 2cdg s THR 78 CO -0.06 0.55 0.08 -0.76 -0.69 0.00 0.00 174.62 173.74 2cdg s LEU 79 N -0.29 4.33 0.31 4.42 1.02 0.05 -0.49 118.68 128.04 2cdg s LEU 79 Ca 0.05 -1.38 0.01 0.00 0.02 0.00 0.00 54.13 52.82 2cdg s LEU 79 Cb -0.13 -1.79 0.51 0.00 0.02 0.00 0.00 46.19 44.81 2cdg s LEU 79 CO 0.02 -0.35 1.91 -0.08 0.02 0.00 0.00 176.35 177.88 2cdg h GLU 80 N 8.09 0.81 -3.29 1.70 4.57 -1.84 -1.47 114.58 123.15 2cdg h GLU 80 Ca -0.20 -0.11 -0.25 0.00 -1.18 0.00 0.00 59.36 57.62 2cdg h GLU 80 Cb 1.07 -0.15 -0.32 0.00 -0.16 0.00 0.00 28.75 29.19 2cdg h GLU 80 CO 0.59 0.65 -0.61 0.45 -1.18 0.00 0.00 179.01 178.91 2cdg s SER 81 N -6.54 -0.09 0.09 1.04 0.15 -1.26 -4.09 113.70 102.99 2cdg s SER 81 Ca -0.10 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.71 2cdg s SER 81 Cb 0.16 0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.58 2cdg s SER 81 CO 0.78 -0.14 0.44 0.00 1.20 0.00 0.00 173.24 175.53 2cdg s ALA 82 N 1.09 3.68 0.06 5.45 0.00 -0.77 -4.81 121.76 126.47 2cdg s ALA 82 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2cdg s ALA 82 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2cdg s ALA 82 CO -0.05 0.52 -0.05 1.03 0.00 0.00 0.00 175.76 177.22 2cdg s ARG 83 N -1.83 0.65 0.47 0.00 0.52 -1.26 0.87 118.95 118.36 2cdg s ARG 83 Ca 0.33 -1.15 0.23 0.00 -0.52 0.00 0.00 55.73 54.62 2cdg s ARG 83 Cb -0.15 0.02 1.25 0.00 0.52 0.00 0.00 34.95 36.60 2cdg s ARG 83 CO 0.18 -0.06 1.88 -1.35 0.02 0.00 0.00 175.30 175.97 2cdg h PRO 84 N 3.36 0.22 0.00 3.54 0.11 -1.92 0.99 132.00 138.29 2cdg h PRO 84 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2cdg h PRO 84 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2cdg h PRO 84 CO 0.61 0.14 0.66 0.66 -0.21 0.00 0.00 178.00 179.86 2cdg h SER 85 N 0.22 0.00 0.41 -2.05 4.64 -1.96 -0.60 113.55 114.21 2cdg h SER 85 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2cdg h SER 85 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2cdg h SER 85 CO -0.10 0.00 -0.81 1.41 -0.87 0.00 0.00 176.83 176.46 2cdg n HIS 86 N -2.29 0.15 -1.63 4.77 8.25 0.34 -4.92 115.22 119.89 2cdg n HIS 86 Ca -0.01 0.04 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 2cdg n HIS 86 Cb 0.68 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2cdg n HIS 86 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2cdg n THR 87 N -1.73 0.54 -3.93 1.59 -1.04 -0.24 -4.86 114.28 104.61 2cdg n THR 87 Ca 0.04 -0.32 0.01 0.00 -2.04 0.00 0.00 64.05 61.74 2cdg n THR 87 Cb 0.38 -2.47 0.01 0.00 -1.82 0.00 0.00 70.33 66.44 2cdg n THR 87 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2cdg n SER 88 N 9.87 -0.95 -4.58 8.00 2.88 -0.45 -4.89 113.62 123.50 2cdg n SER 88 Ca 0.26 -1.27 -0.34 0.00 -1.33 0.00 0.00 58.87 56.18 2cdg n SER 88 Cb 0.43 1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 65.27 2cdg n SER 88 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2cdg s GLN 89 N -2.02 3.24 -0.27 -1.46 0.74 -0.82 -1.37 119.66 117.71 2cdg s GLN 89 Ca 0.21 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.14 2cdg s GLN 89 Cb -0.01 -2.81 0.05 0.00 1.10 0.00 0.00 33.01 31.34 2cdg s GLN 89 CO 0.00 0.49 -0.06 0.71 -0.55 0.00 0.00 175.29 175.88 2cdg s TYR 90 N -0.32 3.19 -0.15 1.67 1.51 -0.52 -0.65 117.35 122.07 2cdg s TYR 90 Ca 0.06 -1.94 -0.04 0.00 -1.01 0.00 0.00 57.07 54.15 2cdg s TYR 90 Cb -0.12 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2cdg s TYR 90 CO 0.02 -0.81 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.10 2cdg s LEU 91 N 1.22 3.24 -0.09 -1.29 1.43 0.17 -2.51 118.68 120.85 2cdg s LEU 91 Ca -0.05 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2cdg s LEU 91 Cb -0.19 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2cdg s LEU 91 CO -0.04 0.17 0.12 0.00 0.23 0.00 0.00 176.35 176.83 2cdg s ALA 93 N -1.05 0.96 0.16 0.00 0.00 -0.21 -0.28 121.76 121.36 2cdg s ALA 93 Ca 0.17 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 2cdg s ALA 93 Cb -0.12 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 2cdg s ALA 93 CO 0.06 -0.52 0.30 -1.54 0.00 0.00 0.00 175.76 174.06 2cdg s SER 94 N -3.09 0.01 0.25 0.00 1.04 -0.08 -0.72 113.70 111.13 2cdg s SER 94 Ca 0.29 -0.82 -0.19 0.00 0.48 0.00 0.00 55.95 55.70 2cdg s SER 94 Cb 0.07 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2cdg s SER 94 CO 0.05 -0.90 0.64 -0.94 0.98 0.00 0.00 173.24 173.07 2cdg s SER 95 N -2.95 -0.26 0.36 7.02 1.04 -0.66 -1.21 113.70 117.04 2cdg s SER 95 Ca 0.16 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 56.07 2cdg s SER 95 Cb 0.03 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 2cdg s SER 95 CO -0.01 -1.24 0.25 -0.70 0.98 0.00 0.00 173.24 172.52 2cdg s GLU 96 N -3.92 2.51 -0.18 4.02 -6.30 -1.26 -3.53 118.70 110.04 2cdg s GLU 96 Ca 0.12 -1.49 0.13 0.00 -2.50 0.00 0.00 54.97 51.23 2cdg s GLU 96 Cb -0.04 -2.30 0.39 0.00 0.00 0.00 0.00 34.13 32.18 2cdg s GLU 96 CO 0.04 0.02 1.20 0.43 0.02 0.00 0.00 175.26 176.97 2cdg n SER 97 N -1.32 1.79 -4.05 -1.70 7.64 -1.26 -4.74 113.62 109.98 2cdg n SER 97 Ca -0.01 -3.65 -0.16 0.00 1.01 0.00 0.00 58.87 56.07 2cdg n SER 97 Cb 0.61 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 2cdg n SER 97 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2cdg s ARG 98 N -3.00 0.59 -0.11 1.43 0.52 -1.26 -5.16 118.95 111.96 2cdg s ARG 98 Ca 0.36 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 54.95 2cdg s ARG 98 Cb 0.35 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2cdg s ARG 98 CO -0.05 0.11 0.08 0.99 0.02 0.00 0.00 175.30 176.44 2cdg s THR 99 N -0.86 4.96 0.00 0.02 2.01 -1.26 -4.68 115.64 115.82 2cdg s THR 99 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2cdg s THR 99 Cb -0.07 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2cdg s THR 99 CO 0.00 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 2cdg n GLY 100 N 2.23 2.71 3.98 4.40 0.00 -1.26 -4.88 105.19 112.37 2cdg n GLY 100 Ca -0.19 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2cdg n GLY 100 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2cdg n ILE 101 N 0.00 -3.32 -1.92 -0.61 3.06 -1.26 -4.89 119.36 110.41 2cdg n ILE 101 Ca 0.00 -0.64 -0.42 0.00 -2.50 0.00 0.00 62.75 59.19 2cdg n ILE 101 Cb 0.00 -2.71 -0.03 0.00 0.54 0.00 0.00 39.64 37.44 2cdg n ILE 101 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 2cdg s ASN 102 N -3.99 6.59 0.66 9.51 2.47 -1.26 -4.86 114.94 124.06 2cdg s ASN 102 Ca 0.21 2.55 0.00 0.00 0.42 0.00 0.00 52.86 56.04 2cdg s ASN 102 Cb -0.09 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2cdg s ASN 102 CO 0.92 -0.87 0.00 -1.22 -3.72 0.00 0.00 177.10 172.21 2cdg n TYR 103 N 4.94 -1.32 0.00 0.43 4.01 -1.26 -5.10 117.16 118.85 2cdg n TYR 103 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2cdg n TYR 103 Cb 0.40 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2cdg n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cdg n GLY 104 N 0.00 0.16 3.91 2.72 0.00 -1.26 -5.02 105.19 105.70 2cdg n GLY 104 Ca 0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2cdg n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cdg s TYR 105 N -1.32 3.52 0.03 1.61 1.51 -1.26 -4.73 117.35 116.71 2cdg s TYR 105 Ca 0.00 0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 56.29 2cdg s TYR 105 Cb 0.00 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2cdg s TYR 105 CO 0.00 0.58 0.36 0.99 -1.11 0.00 0.00 175.55 176.37 2cdg s THR 106 N -1.48 5.14 0.08 -0.71 2.01 -0.35 -4.94 115.64 115.39 2cdg s THR 106 Ca 0.34 0.50 0.09 0.00 0.31 0.00 0.00 61.69 62.93 2cdg s THR 106 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2cdg s THR 106 CO 0.25 0.42 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.00 2cdg s PHE 107 N -1.25 2.02 0.00 4.92 0.40 -1.26 -0.90 117.98 121.91 2cdg s PHE 107 Ca 0.28 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2cdg s PHE 107 Cb -0.14 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.24 2cdg s PHE 107 CO 0.15 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.68 2cdg n GLY 108 N 1.35 -1.52 0.42 4.36 0.00 0.62 -4.82 105.19 105.61 2cdg n GLY 108 Ca -0.18 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.36 2cdg n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cdg n SER 109 N -1.75 1.78 0.00 1.61 7.64 -1.26 -4.86 113.62 116.78 2cdg n SER 109 Ca 0.00 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.49 2cdg n SER 109 Cb 0.00 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2cdg n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cdg n GLY 110 N 1.18 -2.30 3.59 0.23 0.00 -1.26 -4.94 105.19 101.69 2cdg n GLY 110 Ca 0.07 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2cdg n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cdg s THR 111 N -3.58 4.68 -0.53 2.61 2.01 -1.04 -4.65 115.64 115.14 2cdg s THR 111 Ca 0.00 -0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 2cdg s THR 111 Cb 0.00 -3.13 0.07 0.00 0.01 0.00 0.00 72.50 69.45 2cdg s THR 111 CO 0.00 0.42 0.62 -0.13 -0.69 0.00 0.00 174.62 174.85 2cdg s ARG 112 N 0.71 3.08 -0.14 4.92 0.52 -0.59 -1.44 118.95 126.01 2cdg s ARG 112 Ca 0.03 -1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 54.10 2cdg s ARG 112 Cb -0.13 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 2cdg s ARG 112 CO 0.02 -1.30 0.08 -1.17 0.02 0.00 0.00 175.30 172.95 2cdg s LEU 113 N 2.52 4.02 -0.09 2.53 0.20 -0.47 -1.50 118.68 125.90 2cdg s LEU 113 Ca 0.13 0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.22 2cdg s LEU 113 Cb -0.21 -1.98 0.02 0.00 -0.43 0.00 0.00 46.19 43.58 2cdg s LEU 113 CO 0.09 0.32 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.47 2cdg s THR 114 N -0.49 1.15 -0.23 3.68 2.01 0.08 -1.34 115.64 120.50 2cdg s THR 114 Ca 0.11 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 2cdg s THR 114 Cb -0.12 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2cdg s THR 114 CO 0.02 0.37 0.11 -0.69 -0.69 0.00 0.00 174.62 173.74 2cdg s VAL 115 N 1.06 4.90 -0.18 3.82 1.01 -1.26 -2.11 120.40 127.64 2cdg s VAL 115 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2cdg s VAL 115 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2cdg s VAL 115 CO -0.01 0.37 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 2cdg s VAL 116 N 1.07 4.27 0.08 2.92 1.01 -0.32 -4.26 120.40 125.17 2cdg s VAL 116 Ca 0.06 -0.22 -0.36 0.00 0.00 0.00 0.00 61.98 61.46 2cdg s VAL 116 Cb -0.14 -2.91 -0.18 0.00 0.00 0.00 0.00 36.38 33.15 2cdg s VAL 116 CO 0.04 0.46 1.58 -0.08 0.00 0.00 0.00 175.10 177.10 2cdg h GLU 117 N 6.92 -1.03 -4.90 2.72 4.57 -1.96 -3.23 114.58 117.68 2cdg h GLU 117 Ca -0.34 0.07 -0.67 0.00 -1.18 0.00 0.00 59.36 57.24 2cdg h GLU 117 Cb 1.18 0.23 -0.27 0.00 -0.16 0.00 0.00 28.75 29.73 2cdg h GLU 117 CO 0.65 -0.68 -0.67 0.34 -1.18 0.00 0.00 179.01 177.46 2cdg s ASP 118 N -4.30 4.74 0.55 1.04 -1.08 -1.26 -4.76 116.67 111.59 2cdg s ASP 118 Ca -0.18 -0.58 0.34 0.00 -0.52 0.00 0.00 52.55 51.60 2cdg s ASP 118 Cb 0.04 -1.81 1.36 0.00 -1.46 0.00 0.00 42.92 41.06 2cdg s ASP 118 CO 0.61 -0.11 1.98 -0.07 0.52 0.00 0.00 175.17 178.10 2cdg h LEU 119 N 8.16 0.00 -0.98 -1.34 4.07 -1.98 -2.60 115.31 120.64 2cdg h LEU 119 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2cdg h LEU 119 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2cdg h LEU 119 CO 0.59 0.00 0.00 -3.20 -1.08 0.00 0.00 178.44 174.75 2cdg n ASN 120 N -3.07 0.63 0.21 -0.43 5.15 -1.26 -1.72 115.26 114.76 2cdg n ASN 120 Ca 0.01 0.70 0.09 0.00 -0.60 0.00 0.00 54.58 54.78 2cdg n ASN 120 Cb 0.30 -0.82 0.33 0.00 -0.53 0.00 0.00 39.78 39.07 2cdg n ASN 120 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2cdg h LYS 121 N 0.00 0.00 -6.53 1.20 6.56 -1.87 -3.45 116.57 112.48 2cdg h LYS 121 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 2cdg h LYS 121 Cb 0.23 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.90 2cdg h LYS 121 CO 0.00 0.25 0.65 0.08 -2.06 0.00 0.00 179.45 178.38 2cdg s VAL 122 N -3.44 3.59 -0.01 0.50 1.01 -0.70 -4.73 120.40 116.63 2cdg s VAL 122 Ca 0.02 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2cdg s VAL 122 Cb 0.09 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2cdg s VAL 122 CO 0.66 0.09 0.01 -0.36 0.00 0.00 0.00 175.10 175.51 2cdg s PHE 123 N 1.03 0.02 0.78 5.22 0.08 0.21 -4.82 117.98 120.50 2cdg s PHE 123 Ca 0.62 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.61 2cdg s PHE 123 Cb -0.34 -0.11 0.06 0.00 -0.57 0.00 0.00 43.02 42.06 2cdg s PHE 123 CO 0.30 -0.04 1.10 -1.25 -0.10 0.00 0.00 175.22 175.23 2cdg s PRO 124 N 0.47 2.25 0.35 0.24 0.04 -1.26 -0.92 135.00 136.17 2cdg s PRO 124 Ca -0.04 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.47 2cdg s PRO 124 Cb -0.06 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2cdg s PRO 124 CO -0.01 -1.48 0.68 -1.25 0.04 0.00 0.00 177.00 174.97 2cdg s PRO 125 N -5.23 3.72 0.00 0.56 0.04 -1.26 -4.21 135.00 128.62 2cdg s PRO 125 Ca 0.60 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.77 2cdg s PRO 125 Cb -0.13 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 2cdg s PRO 125 CO 0.53 0.07 0.42 -1.21 0.04 0.00 0.00 177.00 176.86 2cdg s GLU 126 N -3.71 3.96 -0.04 4.56 2.02 -0.68 -4.94 118.70 119.86 2cdg s GLU 126 Ca 0.48 0.44 0.06 0.00 0.02 0.00 0.00 54.97 55.97 2cdg s GLU 126 Cb -0.10 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2cdg s GLU 126 CO 0.30 0.67 -0.23 0.08 0.02 0.00 0.00 175.26 176.10 2cdg s VAL 127 N -1.01 1.88 0.00 2.63 1.01 -1.26 -0.85 120.40 122.81 2cdg s VAL 127 Ca 0.24 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2cdg s VAL 127 Cb -0.17 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2cdg s VAL 127 CO 0.14 0.53 0.01 0.00 0.00 0.00 0.00 175.10 175.78 2cdg s ALA 128 N -0.23 -0.01 -0.18 5.51 0.00 -0.62 -4.63 121.76 121.60 2cdg s ALA 128 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 2cdg s ALA 128 Cb -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2cdg s ALA 128 CO 0.02 -0.07 -0.06 0.08 0.00 0.00 0.00 175.76 175.73 2cdg s VAL 129 N -0.55 3.47 -0.24 0.00 1.01 -1.26 -1.29 120.40 121.54 2cdg s VAL 129 Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2cdg s VAL 129 Cb -0.04 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2cdg s VAL 129 CO -0.00 0.46 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 2cdg s PHE 130 N 0.92 3.28 0.49 5.22 0.40 0.26 -5.00 117.98 123.55 2cdg s PHE 130 Ca -0.01 0.14 -0.22 0.00 -0.60 0.00 0.00 56.93 56.25 2cdg s PHE 130 Cb -0.15 -2.25 -0.07 0.00 0.51 0.00 0.00 43.02 41.07 2cdg s PHE 130 CO 0.01 0.02 1.15 -1.21 0.70 0.00 0.00 175.22 175.90 2cdg s GLU 131 N 1.06 3.60 0.56 0.44 2.02 -1.26 -2.55 118.70 122.57 2cdg s GLU 131 Ca 0.07 1.72 -0.21 0.00 0.02 0.00 0.00 54.97 56.56 2cdg s GLU 131 Cb -0.14 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 2cdg s GLU 131 CO 0.04 -0.67 1.33 -2.30 0.02 0.00 0.00 175.26 173.68 2cdg n PRO 132 N -0.80 1.60 -2.17 0.39 -0.02 -1.25 -4.89 135.00 127.85 2cdg n PRO 132 Ca 0.09 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 2cdg n PRO 132 Cb 0.49 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2cdg n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2cdg s SER 133 N -0.97 6.85 0.46 2.55 0.15 -1.26 -4.92 113.70 116.56 2cdg s SER 133 Ca 0.73 2.52 0.28 0.00 0.70 0.00 0.00 55.95 60.18 2cdg s SER 133 Cb -0.42 -2.63 0.90 0.00 -1.71 0.00 0.00 66.02 62.17 2cdg s SER 133 CO 0.48 -0.53 1.81 -0.08 1.20 0.00 0.00 173.24 176.12 2cdg h GLU 134 N 4.57 0.00 -0.24 5.44 4.57 -1.98 -2.54 114.58 124.39 2cdg h GLU 134 Ca -0.46 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.54 2cdg h GLU 134 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2cdg h GLU 134 CO 0.73 0.00 -0.53 0.00 -1.18 0.00 0.00 179.01 178.03 2cdg h ALA 135 N 2.06 0.39 0.71 2.92 0.00 -1.99 -2.34 119.26 121.01 2cdg h ALA 135 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2cdg h ALA 135 Cb 0.70 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2cdg h ALA 135 CO 0.00 0.59 -0.34 1.49 0.00 0.00 0.00 179.25 180.99 2cdg h GLU 136 N 0.54 -0.92 -0.76 0.00 4.81 -1.82 -2.44 114.58 113.99 2cdg h GLU 136 Ca 0.00 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 2cdg h GLU 136 Cb 1.14 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 2cdg h GLU 136 CO 0.12 -0.61 0.05 0.82 -0.73 0.00 0.00 179.01 178.66 2cdg h ILE 137 N -0.98 0.36 -0.21 2.32 2.04 -1.47 0.29 117.51 119.86 2cdg h ILE 137 Ca -0.10 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.74 2cdg h ILE 137 Cb 0.74 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2cdg h ILE 137 CO 0.16 0.02 0.06 0.28 0.00 0.00 0.00 178.15 178.68 2cdg h SER 138 N 0.13 0.07 0.58 1.72 0.02 -1.26 -1.25 113.55 113.57 2cdg h SER 138 Ca 0.42 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2cdg h SER 138 Cb 0.76 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2cdg h SER 138 CO -0.65 0.07 -0.68 1.57 -1.14 0.00 0.00 176.83 176.00 2cdg n HIS 139 N -5.05 0.24 0.00 3.45 -0.00 -0.68 -4.53 115.22 108.65 2cdg n HIS 139 Ca -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2cdg n HIS 139 Cb 0.08 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 29.66 2cdg n HIS 139 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 2cdg n THR 140 N -1.80 0.00 -1.33 3.57 5.66 0.94 -5.01 114.28 116.31 2cdg n THR 140 Ca 0.04 -0.11 -0.11 0.00 -3.05 0.00 0.00 64.05 60.82 2cdg n THR 140 Cb 0.39 0.59 -0.05 0.00 -1.55 0.00 0.00 70.33 69.71 2cdg n THR 140 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cdg n GLN 141 N -0.59 -1.57 -4.34 1.09 1.13 -0.48 -4.99 117.38 107.63 2cdg n GLN 141 Ca 0.00 0.88 -0.19 0.00 -1.94 0.00 0.00 57.00 55.75 2cdg n GLN 141 Cb 0.00 -5.24 -0.10 0.00 0.11 0.00 0.00 30.24 25.01 2cdg n GLN 141 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2cdg s LYS 142 N -2.89 1.30 -0.08 -1.09 1.02 -1.26 -1.07 119.74 115.68 2cdg s LYS 142 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.47 2cdg s LYS 142 Cb 0.00 -1.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2cdg s LYS 142 CO 0.00 0.21 -0.07 0.00 -0.92 0.00 0.00 175.35 174.57 2cdg s ALA 143 N -2.67 1.10 -0.30 5.17 0.00 0.75 -3.37 121.76 122.44 2cdg s ALA 143 Ca 0.20 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 2cdg s ALA 143 Cb -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.42 2cdg s ALA 143 CO 0.07 -0.19 0.06 0.99 0.00 0.00 0.00 175.76 176.68 2cdg s THR 144 N 1.29 3.69 0.16 0.00 2.01 -1.26 -1.13 115.64 120.40 2cdg s THR 144 Ca -0.04 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 2cdg s THR 144 Cb -0.14 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 2cdg s THR 144 CO -0.03 0.02 0.72 -0.76 -0.69 0.00 0.00 174.62 173.88 2cdg s LEU 145 N 1.43 4.52 -0.10 4.42 1.02 0.68 -3.90 118.68 126.75 2cdg s LEU 145 Ca 0.01 1.51 0.03 0.00 0.02 0.00 0.00 54.13 55.69 2cdg s LEU 145 Cb -0.18 -3.28 -0.00 0.00 0.02 0.00 0.00 46.19 42.75 2cdg s LEU 145 CO 0.01 0.18 -0.22 -0.69 0.02 0.00 0.00 176.35 175.65 2cdg s VAL 146 N -1.24 2.25 -0.09 -1.59 1.01 -1.06 -0.56 120.40 119.12 2cdg s VAL 146 Ca 0.36 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2cdg s VAL 146 Cb -0.21 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2cdg s VAL 146 CO 0.23 0.55 -0.00 0.00 0.00 0.00 0.00 175.10 175.88 2cdg s LEU 148 N -0.75 0.99 -0.21 0.00 0.20 -0.41 -0.58 118.68 117.92 2cdg s LEU 148 Ca 0.12 -0.26 -0.05 0.00 0.69 0.00 0.00 54.13 54.63 2cdg s LEU 148 Cb -0.12 -0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 44.93 2cdg s LEU 148 CO 0.02 -0.16 -0.01 0.00 -0.29 0.00 0.00 176.35 175.92 2cdg s ALA 149 N 1.81 2.98 0.21 5.97 0.00 -0.00 -1.59 121.76 131.13 2cdg s ALA 149 Ca 0.05 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.07 2cdg s ALA 149 Cb -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 2cdg s ALA 149 CO -0.07 -0.22 -0.18 0.95 0.00 0.00 0.00 175.76 176.23 2cdg s THR 150 N 1.13 2.05 -0.39 0.00 -4.23 -0.03 -0.46 115.64 113.71 2cdg s THR 150 Ca 0.02 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 2cdg s THR 150 Cb -0.14 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2cdg s THR 150 CO 0.01 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2cdg n GLY 151 N -0.19 0.65 3.89 3.99 0.00 -0.31 -1.69 105.19 111.52 2cdg n GLY 151 Ca -0.09 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2cdg n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cdg s PHE 152 N -2.01 3.45 -0.28 1.61 -0.71 -1.11 -4.65 117.98 114.27 2cdg s PHE 152 Ca 0.00 0.82 -0.17 0.00 -1.04 0.00 0.00 56.93 56.54 2cdg s PHE 152 Cb 0.00 -2.23 0.10 0.00 -1.21 0.00 0.00 43.02 39.67 2cdg s PHE 152 CO 0.00 0.18 0.77 -0.47 -1.34 0.00 0.00 175.22 174.36 2cdg s TYR 153 N -1.99 -0.91 0.00 3.49 6.14 -0.10 -0.04 117.35 123.94 2cdg s TYR 153 Ca 0.47 1.86 0.00 0.00 0.64 0.00 0.00 57.07 60.03 2cdg s TYR 153 Cb -0.11 0.53 0.00 0.00 0.42 0.00 0.00 41.96 42.80 2cdg s TYR 153 CO 0.26 -0.45 0.00 -0.35 0.64 0.00 0.00 175.55 175.65 2cdg n PRO 154 N 3.95 3.27 0.21 4.97 -0.04 -1.26 -0.62 135.00 145.48 2cdg n PRO 154 Ca -0.19 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2cdg n PRO 154 Cb 0.58 0.00 0.45 0.00 -0.04 0.00 0.00 33.50 34.49 2cdg n PRO 154 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2cdg h ASP 155 N 0.00 0.00 -2.87 3.54 -0.00 -1.92 -3.46 116.42 111.71 2cdg h ASP 155 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 57.03 56.32 2cdg h ASP 155 Cb 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 39.13 2cdg h ASP 155 CO 0.00 0.00 0.43 -1.00 -0.00 0.00 0.00 179.24 178.67 2cdg s HIS 156 N -3.39 3.16 0.16 0.28 0.09 -1.26 -4.95 115.29 109.38 2cdg s HIS 156 Ca 0.05 -1.28 0.04 0.00 -0.00 0.00 0.00 55.06 53.86 2cdg s HIS 156 Cb 0.08 -4.11 -0.05 0.00 -0.00 0.00 0.00 32.58 28.51 2cdg s HIS 156 CO 0.57 -1.35 -0.06 0.14 -0.00 0.00 0.00 174.74 174.04 2cdg s VAL 157 N 2.34 1.03 -0.11 -0.90 -7.23 -1.26 -1.72 120.40 112.56 2cdg s VAL 157 Ca 0.22 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2cdg s VAL 157 Cb -0.13 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.88 2cdg s VAL 157 CO -0.02 -0.63 0.13 -1.61 -0.31 0.00 0.00 175.10 172.65 2cdg s GLU 158 N -3.80 0.03 -0.10 4.82 2.02 -0.38 -4.98 118.70 116.30 2cdg s GLU 158 Ca 0.20 0.31 -0.07 0.00 0.02 0.00 0.00 54.97 55.43 2cdg s GLU 158 Cb 0.04 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 2cdg s GLU 158 CO 0.02 -0.45 0.16 -1.17 0.02 0.00 0.00 175.26 173.84 2cdg s LEU 159 N 2.23 4.39 0.05 1.80 0.20 -1.26 -1.13 118.68 124.96 2cdg s LEU 159 Ca 0.04 0.49 -0.09 0.00 0.69 0.00 0.00 54.13 55.26 2cdg s LEU 159 Cb -0.13 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.49 2cdg s LEU 159 CO -0.07 0.39 0.19 -0.94 -0.29 0.00 0.00 176.35 175.63 2cdg s SER 160 N -1.09 0.07 0.02 3.68 1.04 0.04 -5.01 113.70 112.45 2cdg s SER 160 Ca 0.16 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2cdg s SER 160 Cb -0.12 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 2cdg s SER 160 CO 0.06 -0.60 -0.11 0.26 0.98 0.00 0.00 173.24 173.82 2cdg s TRP 161 N -2.93 2.75 -0.13 5.02 0.52 -1.26 -0.46 118.94 122.44 2cdg s TRP 161 Ca -0.02 -0.13 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 2cdg s TRP 161 Cb 0.01 -1.54 0.05 0.00 -1.15 0.00 0.00 33.47 30.83 2cdg s TRP 161 CO -0.06 0.33 0.04 -1.58 0.02 0.00 0.00 176.95 175.70 2cdg s TRP 162 N -0.98 0.63 -0.22 -1.98 0.52 -0.15 -2.11 118.94 114.64 2cdg s TRP 162 Ca 0.16 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.83 2cdg s TRP 162 Cb -0.11 -0.82 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 2cdg s TRP 162 CO 0.07 -0.45 0.03 0.08 0.02 0.00 0.00 176.95 176.70 2cdg s VAL 163 N 1.99 4.11 -1.23 4.03 1.01 -0.31 -1.55 120.40 128.46 2cdg s VAL 163 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2cdg s VAL 163 Cb -0.15 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.37 2cdg s VAL 163 CO -0.07 0.39 0.25 0.59 0.00 0.00 0.00 175.10 176.26 2cdg n ASN 164 N 4.59 -4.20 0.00 3.32 3.02 -0.35 -2.38 115.26 119.26 2cdg n ASN 164 Ca -0.17 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2cdg n ASN 164 Cb 0.52 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 2cdg n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cdg n GLY 165 N -1.04 3.12 3.79 7.41 0.00 -1.26 -5.04 105.19 112.17 2cdg n GLY 165 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2cdg n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdg s LYS 166 N -0.88 3.23 0.47 1.61 1.02 -1.00 -5.03 119.74 119.15 2cdg s LYS 166 Ca 0.00 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 2cdg s LYS 166 Cb 0.00 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 2cdg s LYS 166 CO 0.00 0.74 1.33 -2.00 -0.92 0.00 0.00 175.35 174.50 2cdg s GLU 167 N -1.01 3.61 0.16 1.68 2.12 -1.26 -1.16 118.70 122.84 2cdg s GLU 167 Ca 0.15 2.20 0.08 0.00 0.36 0.00 0.00 54.97 57.75 2cdg s GLU 167 Cb -0.12 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 2cdg s GLU 167 CO 0.04 -0.80 -0.17 0.14 -0.54 0.00 0.00 175.26 173.93 2cdg s VAL 168 N -1.30 1.67 0.00 3.70 -7.23 -0.90 -4.86 120.40 111.48 2cdg s VAL 168 Ca 0.63 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2cdg s VAL 168 Cb -0.39 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2cdg s VAL 168 CO 0.48 -0.37 0.00 1.41 -0.31 0.00 0.00 175.10 176.31 2cdg n HIS 169 N 0.29 0.00 -1.93 2.82 8.25 -1.26 -4.61 115.22 118.78 2cdg n HIS 169 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 2cdg n HIS 169 Cb 0.57 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 2cdg n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cdg s SER 170 N -1.38 6.60 -0.01 0.41 0.15 -1.26 -2.77 113.70 115.44 2cdg s SER 170 Ca 0.00 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.21 2cdg s SER 170 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2cdg s SER 170 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2cdg n GLY 171 N 3.86 0.47 3.77 9.45 0.00 -1.26 -4.82 105.19 116.67 2cdg n GLY 171 Ca 0.15 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2cdg n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cdg s VAL 172 N -1.99 4.67 -0.03 1.61 1.01 -1.11 -1.27 120.40 123.29 2cdg s VAL 172 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2cdg s VAL 172 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2cdg s VAL 172 CO 0.00 0.36 0.08 0.00 0.00 0.00 0.00 175.10 175.55 2cdg s THR 174 N 0.12 0.58 0.28 0.00 2.01 -1.26 0.86 115.64 118.22 2cdg s THR 174 Ca -0.01 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 2cdg s THR 174 Cb -0.01 -0.53 -0.13 0.00 0.01 0.00 0.00 72.50 71.83 2cdg s THR 174 CO -0.00 -0.01 1.27 0.47 -0.69 0.00 0.00 174.62 175.66 2cdg n ASP 175 N 2.43 2.37 0.17 3.53 8.00 -0.74 -4.85 116.55 127.47 2cdg n ASP 175 Ca -0.16 1.17 0.05 0.00 0.71 0.00 0.00 54.79 56.56 2cdg n ASP 175 Cb 0.57 -1.40 0.48 0.00 -0.02 0.00 0.00 41.12 40.74 2cdg n ASP 175 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2cdg h PRO 176 N 3.15 0.14 -3.23 -0.24 0.11 -2.00 -3.44 132.00 126.50 2cdg h PRO 176 Ca -0.44 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 2cdg h PRO 176 Cb 1.30 -0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.16 2cdg h PRO 176 CO 0.68 0.23 -0.39 -0.65 -0.21 0.00 0.00 178.00 177.66 2cdg s GLN 177 N -4.84 0.51 0.83 1.05 -0.21 -1.26 -5.15 119.66 110.57 2cdg s GLN 177 Ca -0.05 -0.12 -0.13 0.00 0.02 0.00 0.00 55.36 55.07 2cdg s GLN 177 Cb 0.16 0.22 0.06 0.00 1.00 0.00 0.00 33.01 34.45 2cdg s GLN 177 CO 0.71 -0.12 0.95 -2.30 -2.12 0.00 0.00 175.29 172.41 2cdg n PRO 178 N 1.78 0.08 -4.31 2.91 -0.02 -1.26 -4.96 135.00 129.21 2cdg n PRO 178 Ca -0.20 0.09 -0.26 0.00 -2.02 0.00 0.00 63.50 61.12 2cdg n PRO 178 Cb 0.56 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 2cdg n PRO 178 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2cdg s LEU 179 N -4.00 2.97 -0.16 2.45 2.34 -0.46 -4.94 118.68 116.87 2cdg s LEU 179 Ca 0.69 -0.64 -0.24 0.00 0.06 0.00 0.00 54.13 54.00 2cdg s LEU 179 Cb -0.28 -1.60 -0.02 0.00 -0.56 0.00 0.00 46.19 43.72 2cdg s LEU 179 CO 0.55 0.08 0.76 -0.54 -1.06 0.00 0.00 176.35 176.14 2cdg s LYS 180 N -3.07 4.29 0.39 1.48 1.02 -1.26 -1.24 119.74 121.35 2cdg s LYS 180 Ca 0.27 0.89 0.11 0.00 0.02 0.00 0.00 55.97 57.26 2cdg s LYS 180 Cb -0.08 -3.56 0.81 0.00 -0.52 0.00 0.00 37.83 34.48 2cdg s LYS 180 CO 0.16 -0.25 1.91 0.93 -0.92 0.00 0.00 175.35 177.17 2cdg h GLU 181 N 7.30 0.15 -2.39 1.68 5.08 -1.47 -3.34 114.58 121.60 2cdg h GLU 181 Ca -0.31 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.42 2cdg h GLU 181 Cb 1.14 -0.02 -0.39 0.00 0.50 0.00 0.00 28.75 29.98 2cdg h GLU 181 CO 0.81 0.35 -0.91 1.04 -1.00 0.00 0.00 179.01 179.30 2cdg n GLN 182 N -4.25 0.79 -0.36 2.33 6.02 -1.26 -5.04 117.38 115.61 2cdg n GLN 182 Ca -0.01 -3.54 0.28 0.00 -0.01 0.00 0.00 57.00 53.72 2cdg n GLN 182 Cb 0.29 -1.72 0.56 0.00 1.02 0.00 0.00 30.24 30.40 2cdg n GLN 182 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2cdg h PRO 183 N 5.08 0.27 0.00 -1.09 0.11 -1.95 -0.32 132.00 134.11 2cdg h PRO 183 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2cdg h PRO 183 Cb 0.85 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2cdg h PRO 183 CO 0.49 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 2cdg n ALA 184 N -2.51 2.41 -2.69 -0.75 0.00 -1.26 -4.79 120.51 110.92 2cdg n ALA 184 Ca 0.29 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2cdg n ALA 184 Cb 1.06 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 2cdg n ALA 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cdg s LEU 185 N -2.35 4.16 0.18 0.00 1.43 -0.13 -4.99 118.68 116.97 2cdg s LEU 185 Ca 0.31 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 2cdg s LEU 185 Cb 0.18 -2.19 0.13 0.00 0.03 0.00 0.00 46.19 44.34 2cdg s LEU 185 CO 0.37 0.08 1.61 0.78 0.23 0.00 0.00 176.35 179.43 2cdg h ASN 186 N 7.17 -0.87 -0.98 2.29 4.21 -1.87 -2.46 115.58 123.07 2cdg h ASN 186 Ca -0.39 0.19 -0.62 0.00 1.21 0.00 0.00 56.30 56.69 2cdg h ASN 186 Cb 1.16 0.45 -0.26 0.00 -1.12 0.00 0.00 38.32 38.56 2cdg h ASN 186 CO 0.70 -0.27 0.80 -0.90 -1.29 0.00 0.00 177.43 176.48 2cdg n ASP 187 N -5.42 7.46 -4.77 5.81 3.85 -1.26 -5.00 116.55 117.23 2cdg n ASP 187 Ca 0.04 -3.65 -0.39 0.00 -0.71 0.00 0.00 54.79 50.07 2cdg n ASP 187 Cb 0.33 -1.01 -0.02 0.00 -1.35 0.00 0.00 41.12 39.07 2cdg n ASP 187 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 2cdg s SER 188 N -1.38 6.68 0.67 -1.12 0.15 -0.93 -5.03 113.70 112.75 2cdg s SER 188 Ca 0.58 2.45 -0.10 0.00 0.70 0.00 0.00 55.95 59.57 2cdg s SER 188 Cb 0.45 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 2cdg s SER 188 CO -0.04 -0.57 1.05 -0.13 1.20 0.00 0.00 173.24 174.75 2cdg s ARG 189 N -2.03 2.95 0.32 5.44 0.52 -1.26 -4.89 118.95 119.99 2cdg s ARG 189 Ca 0.53 0.41 0.10 0.00 -0.52 0.00 0.00 55.73 56.25 2cdg s ARG 189 Cb -0.34 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 2cdg s ARG 189 CO 0.43 -0.92 -0.13 0.71 0.02 0.00 0.00 175.30 175.42 2cdg s TYR 190 N -3.27 2.32 0.12 -0.53 2.02 0.94 -1.16 117.35 117.79 2cdg s TYR 190 Ca 0.57 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2cdg s TYR 190 Cb -0.11 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 2cdg s TYR 190 CO 0.51 0.60 -0.11 0.00 -1.57 0.00 0.00 175.55 174.98 2cdg s ALA 191 N -2.62 1.28 -0.15 3.71 0.00 -0.38 -1.16 121.76 122.44 2cdg s ALA 191 Ca 0.31 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2cdg s ALA 191 Cb 0.00 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2cdg s ALA 191 CO 0.15 -0.03 0.38 -1.17 0.00 0.00 0.00 175.76 175.10 2cdg s LEU 192 N -2.66 0.27 0.19 0.00 2.96 0.39 -1.36 118.68 118.48 2cdg s LEU 192 Ca 0.09 0.80 0.10 0.00 -0.22 0.00 0.00 54.13 54.90 2cdg s LEU 192 Cb -0.02 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.91 2cdg s LEU 192 CO 0.01 -0.16 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.78 2cdg s SER 193 N 0.77 3.92 0.19 3.68 1.04 -1.26 -0.82 113.70 121.22 2cdg s SER 193 Ca -0.05 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2cdg s SER 193 Cb -0.06 -0.53 -0.05 0.00 0.10 0.00 0.00 66.02 65.49 2cdg s SER 193 CO -0.06 0.10 0.04 -0.55 0.98 0.00 0.00 173.24 173.76 2cdg s SER 194 N -2.83 0.96 0.00 7.02 0.15 0.25 -1.79 113.70 117.46 2cdg s SER 194 Ca 0.24 -1.24 0.01 0.00 0.70 0.00 0.00 55.95 55.66 2cdg s SER 194 Cb -0.08 0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2cdg s SER 194 CO 0.13 -0.65 -0.03 -0.13 1.20 0.00 0.00 173.24 173.75 2cdg s ARG 195 N -3.98 0.27 -0.12 5.44 0.52 0.25 -2.06 118.95 119.26 2cdg s ARG 195 Ca 0.28 -0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 2cdg s ARG 195 Cb 0.07 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.35 2cdg s ARG 195 CO 0.06 0.06 0.04 -1.17 0.02 0.00 0.00 175.30 174.31 2cdg s LEU 196 N -0.21 0.62 -0.16 2.53 2.96 0.28 -1.07 118.68 123.62 2cdg s LEU 196 Ca -0.00 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2cdg s LEU 196 Cb -0.02 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 2cdg s LEU 196 CO -0.00 -0.27 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.14 2cdg s ARG 197 N 2.01 3.72 0.35 1.98 3.52 -0.39 -0.23 118.95 129.90 2cdg s ARG 197 Ca 0.03 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 2cdg s ARG 197 Cb -0.14 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 2cdg s ARG 197 CO -0.06 0.23 0.09 0.14 -0.81 0.00 0.00 175.30 174.89 2cdg s VAL 198 N 0.41 0.85 0.43 7.11 -7.23 -0.28 -4.67 120.40 117.01 2cdg s VAL 198 Ca -0.03 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.91 2cdg s VAL 198 Cb -0.14 -2.59 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 2cdg s VAL 198 CO 0.02 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 174.98 2cdg s SER 199 N -3.51 6.49 0.22 4.85 1.04 -1.26 -0.18 113.70 121.35 2cdg s SER 199 Ca 0.32 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.83 2cdg s SER 199 Cb 0.06 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 63.92 2cdg s SER 199 CO 0.15 -0.69 1.77 0.00 0.98 0.00 0.00 173.24 175.45 2cdg h ALA 200 N 2.28 0.95 -0.59 5.32 0.00 -1.36 -0.80 119.26 125.06 2cdg h ALA 200 Ca -0.49 0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.60 2cdg h ALA 200 Cb 1.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2cdg h ALA 200 CO 0.61 -0.08 0.40 1.79 0.00 0.00 0.00 179.25 181.98 2cdg h THR 201 N 0.56 0.85 0.01 0.00 1.35 -1.93 0.18 112.91 113.93 2cdg h THR 201 Ca 0.34 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2cdg h THR 201 Cb 0.38 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2cdg h THR 201 CO -0.28 0.06 -0.00 0.15 -0.25 0.00 0.00 175.52 175.20 2cdg h PHE 202 N 0.31 -0.01 -0.04 4.73 3.57 -1.54 -3.03 116.94 120.93 2cdg h PHE 202 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2cdg h PHE 202 Cb 0.68 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2cdg h PHE 202 CO -0.00 0.51 -0.03 2.35 -2.23 0.00 0.00 178.31 178.90 2cdg h TRP 203 N -0.53 0.05 -0.00 0.41 2.91 -1.04 -2.73 115.95 115.02 2cdg h TRP 203 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2cdg h TRP 203 Cb 0.52 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 2cdg h TRP 203 CO 0.11 0.09 -0.01 1.04 -1.03 0.00 0.00 178.44 178.64 2cdg n GLN 204 N -4.46 0.84 -2.79 2.65 6.02 0.58 -1.94 117.38 118.27 2cdg n GLN 204 Ca -0.02 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.49 2cdg n GLN 204 Cb 0.14 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 2cdg n GLN 204 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2cdg s ASP 205 N -2.20 6.48 0.24 1.08 -1.08 -1.03 -3.14 116.67 117.03 2cdg s ASP 205 Ca 0.41 0.08 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 2cdg s ASP 205 Cb 0.21 -2.46 0.90 0.00 -1.46 0.00 0.00 42.92 40.11 2cdg s ASP 205 CO 0.40 -1.12 1.52 -0.81 0.52 0.00 0.00 175.17 175.68 2cdg n PRO 206 N 7.35 0.11 -0.14 4.34 -0.04 -1.26 -2.03 135.00 143.34 2cdg n PRO 206 Ca 0.06 0.58 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 2cdg n PRO 206 Cb 0.48 -1.85 0.29 0.00 -0.04 0.00 0.00 33.50 32.39 2cdg n PRO 206 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cdg n ARG 207 N -2.08 2.07 -3.32 0.54 1.74 -1.26 -4.25 116.66 110.09 2cdg n ARG 207 Ca -0.01 -1.61 -0.33 0.00 -0.77 0.00 0.00 57.85 55.13 2cdg n ARG 207 Cb 0.05 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 2cdg n ARG 207 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2cdg s ASN 208 N -1.46 6.72 -0.06 0.55 0.02 -0.86 -4.99 114.94 114.85 2cdg s ASN 208 Ca 0.34 1.06 0.03 0.00 -1.02 0.00 0.00 52.86 53.28 2cdg s ASN 208 Cb 0.19 -2.28 0.01 0.00 0.02 0.00 0.00 41.25 39.19 2cdg s ASN 208 CO 0.27 -0.08 -0.14 -2.28 0.02 0.00 0.00 177.10 174.90 2cdg s HIS 209 N -1.79 1.58 -0.09 2.20 5.65 -1.26 -2.09 115.29 119.48 2cdg s HIS 209 Ca 0.47 -0.54 0.03 0.00 0.25 0.00 0.00 55.06 55.28 2cdg s HIS 209 Cb -0.12 -1.11 0.01 0.00 -1.18 0.00 0.00 32.58 30.18 2cdg s HIS 209 CO 0.20 -0.24 -0.19 -0.06 -0.65 0.00 0.00 174.74 173.79 2cdg s PHE 210 N 0.42 2.19 -0.08 3.88 0.08 0.61 -1.21 117.98 123.87 2cdg s PHE 210 Ca -0.11 -0.91 -0.00 0.00 0.12 0.00 0.00 56.93 56.03 2cdg s PHE 210 Cb -0.14 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.83 2cdg s PHE 210 CO 0.03 -0.40 -0.05 0.50 -0.10 0.00 0.00 175.22 175.20 2cdg s ARG 211 N 0.55 1.14 -0.19 0.44 3.52 -0.59 -0.29 118.95 123.53 2cdg s ARG 211 Ca -0.15 -0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.15 2cdg s ARG 211 Cb -0.17 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 2cdg s ARG 211 CO 0.05 -0.20 0.41 0.00 -0.81 0.00 0.00 175.30 174.75 2cdg s GLN 213 N 1.21 3.08 -0.24 0.00 0.74 0.39 -1.53 119.66 123.31 2cdg s GLN 213 Ca 0.20 -0.83 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 2cdg s GLN 213 Cb -0.15 -2.47 0.00 0.00 1.10 0.00 0.00 33.01 31.50 2cdg s GLN 213 CO 0.08 0.03 -0.02 0.08 -0.55 0.00 0.00 175.29 174.91 2cdg s VAL 214 N 0.72 3.40 -0.24 1.34 1.01 -0.06 -0.78 120.40 125.79 2cdg s VAL 214 Ca -0.09 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2cdg s VAL 214 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2cdg s VAL 214 CO 0.01 0.29 0.72 -1.58 0.00 0.00 0.00 175.10 174.53 2cdg s GLN 215 N 1.45 4.16 -0.18 2.72 2.00 -0.28 -0.80 119.66 128.72 2cdg s GLN 215 Ca 0.04 0.73 -0.05 0.00 -2.00 0.00 0.00 55.36 54.08 2cdg s GLN 215 Cb -0.15 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 29.99 2cdg s GLN 215 CO -0.02 -0.44 -0.01 0.12 -0.50 0.00 0.00 175.29 174.44 2cdg s PHE 216 N 2.57 3.04 -0.26 1.67 5.36 -0.07 -1.26 117.98 129.04 2cdg s PHE 216 Ca 0.30 -0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 55.75 2cdg s PHE 216 Cb -0.15 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 2cdg s PHE 216 CO 0.08 -0.15 0.35 0.71 -1.46 0.00 0.00 175.22 174.76 2cdg s TYR 217 N 0.73 3.26 0.00 10.12 2.02 -0.70 -2.21 117.35 130.57 2cdg s TYR 217 Ca -0.01 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2cdg s TYR 217 Cb -0.14 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2cdg s TYR 217 CO 0.02 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 2cdg n GLY 218 N 4.65 4.54 3.76 0.71 0.00 -1.26 -4.73 105.19 112.86 2cdg n GLY 218 Ca -0.09 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2cdg n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cdg s LEU 219 N 0.00 2.98 0.23 0.99 1.02 0.12 -4.35 118.68 119.66 2cdg s LEU 219 Ca 0.00 1.81 0.04 0.00 0.02 0.00 0.00 54.13 56.00 2cdg s LEU 219 Cb 0.00 -4.48 -0.03 0.00 0.02 0.00 0.00 46.19 41.69 2cdg s LEU 219 CO 0.00 -2.11 0.36 -0.55 0.02 0.00 0.00 176.35 174.07 2cdg s SER 220 N -3.37 6.33 0.27 2.29 0.15 -1.26 -1.44 113.70 116.66 2cdg s SER 220 Ca 0.61 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 57.39 2cdg s SER 220 Cb -0.17 -1.89 0.58 0.00 -1.71 0.00 0.00 66.02 62.82 2cdg s SER 220 CO 0.56 -0.06 1.39 1.21 1.20 0.00 0.00 173.24 177.54 2cdg n GLU 221 N -1.21 -0.07 0.00 5.44 2.13 -1.26 -2.25 120.64 123.41 2cdg n GLU 221 Ca -0.08 1.35 0.11 0.00 0.66 0.00 0.00 57.16 59.20 2cdg n GLU 221 Cb 0.56 -2.10 -0.15 0.00 0.27 0.00 0.00 31.44 30.02 2cdg n GLU 221 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2cdg n ASN 222 N -5.36 0.12 -4.65 4.31 6.94 -1.26 -4.96 115.26 110.40 2cdg n ASN 222 Ca 0.18 -0.02 -0.60 0.00 -0.02 0.00 0.00 54.58 54.12 2cdg n ASN 222 Cb 0.59 1.81 -0.08 0.00 -2.36 0.00 0.00 39.78 39.75 2cdg n ASN 222 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2cdg n ASP 223 N -2.26 1.31 -4.51 0.53 8.00 -0.95 -4.83 116.55 113.83 2cdg n ASP 223 Ca -0.03 1.14 -0.39 0.00 0.71 0.00 0.00 54.79 56.22 2cdg n ASP 223 Cb 0.56 -1.01 0.03 0.00 -0.02 0.00 0.00 41.12 40.68 2cdg n ASP 223 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cdg n GLU 224 N 3.52 0.72 -3.44 -1.24 1.02 -1.26 -4.90 120.64 115.06 2cdg n GLU 224 Ca 0.25 0.27 0.01 0.00 -0.02 0.00 0.00 57.16 57.68 2cdg n GLU 224 Cb 0.07 -1.81 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 2cdg n GLU 224 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2cdg s TRP 225 N -1.57 -0.97 -0.11 -0.32 -0.11 -1.26 -5.06 118.94 109.54 2cdg s TRP 225 Ca 0.68 1.55 0.14 0.00 1.22 0.00 0.00 56.10 59.70 2cdg s TRP 225 Cb -0.48 0.53 0.27 0.00 -1.50 0.00 0.00 33.47 32.29 2cdg s TRP 225 CO 0.54 -0.49 1.14 0.25 -4.62 0.00 0.00 176.95 173.76 2cdg n THR 226 N 5.21 1.48 -3.53 5.86 -2.24 -1.26 -5.07 114.28 114.73 2cdg n THR 226 Ca -0.09 -1.94 -0.19 0.00 -2.27 0.00 0.00 64.05 59.55 2cdg n THR 226 Cb 0.51 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2cdg n THR 226 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2cdg s GLN 227 N -2.23 3.06 -0.03 -0.78 -1.52 -1.26 -5.06 119.66 111.83 2cdg s GLN 227 Ca 0.27 -1.05 -0.23 0.00 -1.95 0.00 0.00 55.36 52.40 2cdg s GLN 227 Cb 0.25 -2.77 -0.23 0.00 -0.22 0.00 0.00 33.01 30.04 2cdg s GLN 227 CO -0.01 0.07 1.06 -0.44 -0.25 0.00 0.00 175.29 175.73 2cdg h ASP 228 N 0.96 0.34 -3.46 5.90 5.19 -2.06 -3.45 116.42 119.84 2cdg h ASP 228 Ca -0.46 -0.77 -0.55 0.00 -0.62 0.00 0.00 57.03 54.64 2cdg h ASP 228 Cb 1.26 -0.11 0.20 0.00 0.18 0.00 0.00 39.33 40.86 2cdg h ASP 228 CO 0.54 1.07 -0.31 -2.11 -3.12 0.00 0.00 179.24 175.30 2cdg n ARG 229 N -4.39 0.11 -2.01 3.56 1.85 -1.26 -4.92 116.66 109.59 2cdg n ARG 229 Ca -0.10 0.09 -0.38 0.00 -1.00 0.00 0.00 57.85 56.46 2cdg n ARG 229 Cb 0.57 -1.95 0.02 0.00 -1.05 0.00 0.00 32.46 30.04 2cdg n ARG 229 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2cdg s ALA 230 N -2.09 2.89 -0.02 2.89 0.00 -1.26 -4.90 121.76 119.27 2cdg s ALA 230 Ca 0.64 1.14 -0.34 0.00 0.00 0.00 0.00 51.96 53.40 2cdg s ALA 230 Cb -0.30 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 2cdg s ALA 230 CO 0.59 -1.03 1.82 1.17 0.00 0.00 0.00 175.76 178.31 2cdg n LYS 231 N -0.78 2.23 -1.19 0.00 4.81 -1.26 -4.85 118.16 117.12 2cdg n LYS 231 Ca 0.09 0.81 -0.36 0.00 -0.87 0.00 0.00 58.31 57.98 2cdg n LYS 231 Cb 0.46 -2.65 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 2cdg n LYS 231 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2cdg n PRO 232 N 5.94 2.32 -1.64 1.64 -0.04 -1.26 -4.94 135.00 137.02 2cdg n PRO 232 Ca 0.21 -1.96 -0.30 0.00 -0.04 0.00 0.00 63.50 61.41 2cdg n PRO 232 Cb 0.30 -2.85 0.06 0.00 -0.04 0.00 0.00 33.50 30.97 2cdg n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cdg s VAL 233 N 3.70 3.62 0.20 0.52 -7.23 -1.26 -0.70 120.40 119.25 2cdg s VAL 233 Ca 0.52 0.53 -0.32 0.00 -1.81 0.00 0.00 61.98 60.89 2cdg s VAL 233 Cb 0.14 -3.33 -0.14 0.00 0.56 0.00 0.00 36.38 33.60 2cdg s VAL 233 CO 0.00 -0.69 1.40 0.41 -0.31 0.00 0.00 175.10 175.92 2cdg n THR 234 N -3.20 0.67 -3.67 5.32 -1.04 -0.52 -4.53 114.28 107.31 2cdg n THR 234 Ca 0.07 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 61.89 2cdg n THR 234 Cb 0.55 -1.35 -0.01 0.00 -1.82 0.00 0.00 70.33 67.70 2cdg n THR 234 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cdg s GLN 235 N -0.05 0.83 -0.14 -2.82 -2.07 -0.94 -4.94 119.66 109.53 2cdg s GLN 235 Ca 0.72 -0.43 -0.00 0.00 -1.82 0.00 0.00 55.36 53.83 2cdg s GLN 235 Cb -0.71 0.30 -0.01 0.00 -1.09 0.00 0.00 33.01 31.50 2cdg s GLN 235 CO 0.47 -0.38 -0.13 0.42 -1.32 0.00 0.00 175.29 174.36 2cdg s ILE 236 N -2.93 3.06 -0.13 3.63 1.01 -1.26 -0.89 121.20 123.69 2cdg s ILE 236 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2cdg s ILE 236 Cb 0.01 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2cdg s ILE 236 CO -0.02 0.52 -0.20 -0.69 0.00 0.00 0.00 174.94 174.55 2cdg s VAL 237 N 0.43 2.32 0.17 2.92 1.01 0.02 -4.97 120.40 122.30 2cdg s VAL 237 Ca -0.10 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2cdg s VAL 237 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2cdg s VAL 237 CO 0.05 0.54 -0.20 -0.44 0.00 0.00 0.00 175.10 175.05 2cdg s SER 238 N 0.56 2.90 0.06 3.32 0.01 -1.26 -0.88 113.70 118.41 2cdg s SER 238 Ca -0.12 -0.84 0.04 0.00 1.31 0.00 0.00 55.95 56.34 2cdg s SER 238 Cb -0.17 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2cdg s SER 238 CO 0.04 0.03 -0.13 0.00 0.41 0.00 0.00 173.24 173.59 2cdg s ALA 239 N -1.82 1.03 0.08 1.44 0.00 -0.58 -4.87 121.76 117.04 2cdg s ALA 239 Ca 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2cdg s ALA 239 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2cdg s ALA 239 CO 0.07 0.13 -0.06 -1.83 0.00 0.00 0.00 175.76 174.07 2cdg s GLU 240 N -1.64 0.72 -0.03 0.00 -1.05 -1.26 -1.29 118.70 114.15 2cdg s GLU 240 Ca -0.03 -1.18 -0.20 0.00 -0.15 0.00 0.00 54.97 53.41 2cdg s GLU 240 Cb -0.10 -0.14 0.04 0.00 -0.44 0.00 0.00 34.13 33.49 2cdg s GLU 240 CO 0.02 -0.02 0.43 0.00 0.95 0.00 0.00 175.26 176.64 2cdg s ALA 241 N -3.15 -1.11 -0.04 -0.84 0.00 0.61 -4.94 121.76 112.28 2cdg s ALA 241 Ca 0.06 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2cdg s ALA 241 Cb 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2cdg s ALA 241 CO -0.04 -0.30 -0.07 -1.58 0.00 0.00 0.00 175.76 173.77 2cdg s TRP 242 N -1.26 2.91 0.51 0.00 0.52 -1.26 -0.28 118.94 120.07 2cdg s TRP 242 Ca -0.13 -0.01 -0.22 0.00 0.02 0.00 0.00 56.10 55.77 2cdg s TRP 242 Cb -0.03 -1.67 -0.07 0.00 -1.15 0.00 0.00 33.47 30.55 2cdg s TRP 242 CO 0.06 0.34 1.17 0.41 0.02 0.00 0.00 176.95 178.95 2cdg n GLY 243 N 1.98 0.26 3.21 0.98 0.00 -0.89 -4.99 105.19 105.74 2cdg n GLY 243 Ca -0.17 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2cdg n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cdg s ARG 244 N -2.55 2.63 0.17 1.61 0.52 -0.82 -3.99 118.95 116.52 2cdg s ARG 244 Ca 0.69 -1.13 -0.34 0.00 -0.52 0.00 0.00 55.73 54.43 2cdg s ARG 244 Cb -0.46 -3.19 -0.14 0.00 0.52 0.00 0.00 34.95 31.68 2cdg s ARG 244 CO 0.52 -0.55 1.48 0.00 0.02 0.00 0.00 175.30 176.77 2cdg n ALA 245 N 4.69 0.85 -0.91 2.13 0.00 -1.19 -4.37 120.51 121.72 2cdg n ALA 245 Ca -0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2cdg n ALA 245 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2cdg n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25