#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0g n ASP 2 N 0.00 4.75 -4.81 7.83 2.03 -1.26 -4.98 116.55 120.10 3f0g n ASP 2 Ca 0.00 -2.98 -0.34 0.00 0.52 0.00 0.00 54.79 51.99 3f0g n ASP 2 Cb 0.00 -1.59 -0.06 0.00 -0.72 0.00 0.00 41.12 38.75 3f0g n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3f0g s PHE 3 N 1.96 3.30 0.02 -0.67 0.08 -1.26 -1.36 117.98 120.05 3f0g s PHE 3 Ca 0.44 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.12 3f0g s PHE 3 Cb 0.08 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.61 3f0g s PHE 3 CO -0.01 -0.22 -0.03 1.03 -0.10 0.00 0.00 175.22 175.89 3f0g s ARG 4 N -3.04 0.26 0.12 0.44 1.81 -0.57 -4.95 118.95 113.03 3f0g s ARG 4 Ca 0.61 -0.44 0.09 0.00 -1.72 0.00 0.00 55.73 54.27 3f0g s ARG 4 Cb -0.12 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 3f0g s ARG 4 CO 0.16 -0.01 -0.16 0.96 -0.68 0.00 0.00 175.30 175.57 3f0g s ILE 5 N -0.98 2.96 0.07 1.52 -4.36 -1.26 -1.09 121.20 118.07 3f0g s ILE 5 Ca -0.10 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3f0g s ILE 5 Cb -0.07 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3f0g s ILE 5 CO -0.01 0.08 -0.06 -0.83 0.24 0.00 0.00 174.94 174.37 3f0g s GLY 6 N -2.23 0.61 0.09 6.27 0.00 -0.16 -4.00 107.32 107.89 3f0g s GLY 6 Ca 0.19 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3f0g s GLY 6 CO 0.11 -1.25 -0.11 -0.86 0.00 0.00 0.00 173.10 170.99 3f0g s GLN 7 N -3.29 0.85 0.03 2.90 1.03 -1.26 -1.03 119.66 118.88 3f0g s GLN 7 Ca 0.05 -1.12 0.01 0.00 0.04 0.00 0.00 55.36 54.34 3f0g s GLN 7 Cb 0.02 -0.60 -0.02 0.00 0.03 0.00 0.00 33.01 32.44 3f0g s GLN 7 CO -0.05 0.10 -0.05 0.20 -2.54 0.00 0.00 175.29 172.96 3f0g s GLY 8 N -2.31 0.34 -0.02 2.60 0.00 0.67 -3.66 107.32 104.95 3f0g s GLY 8 Ca 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 3f0g s GLY 8 CO 0.01 -0.71 0.05 -0.47 0.00 0.00 0.00 173.10 171.98 3f0g s TYR 9 N -1.40 -0.02 0.02 1.90 6.14 -1.26 -1.50 117.35 121.23 3f0g s TYR 9 Ca -0.13 0.06 -0.22 0.00 0.64 0.00 0.00 57.07 57.42 3f0g s TYR 9 Cb -0.10 -0.01 0.05 0.00 0.42 0.00 0.00 41.96 42.32 3f0g s TYR 9 CO -0.00 -0.06 0.50 0.34 0.64 0.00 0.00 175.55 176.96 3f0g s ASP 10 N -0.21 -0.41 -0.18 4.32 2.15 -0.79 -4.63 116.67 116.93 3f0g s ASP 10 Ca -0.03 0.22 -0.14 0.00 0.43 0.00 0.00 52.55 53.03 3f0g s ASP 10 Cb -0.02 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 43.11 3f0g s ASP 10 CO 0.00 -0.65 0.46 0.54 -0.17 0.00 0.00 175.17 175.34 3f0g s VAL 11 N -2.10 -0.01 0.03 1.11 0.11 -1.26 -1.29 120.40 117.00 3f0g s VAL 11 Ca -0.07 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3f0g s VAL 11 Cb -0.01 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3f0g s VAL 11 CO 0.01 0.01 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.72 3f0g s HIS 12 N 0.67 0.62 0.44 1.54 3.76 -1.02 -5.01 115.29 116.28 3f0g s HIS 12 Ca -0.03 -0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 54.21 3f0g s HIS 12 Cb -0.05 -0.38 -0.08 0.00 1.11 0.00 0.00 32.58 33.19 3f0g s HIS 12 CO -0.04 -0.07 1.27 -0.65 -0.85 0.00 0.00 174.74 174.39 3f0g s GLN 13 N -1.29 3.81 -0.40 1.40 -0.21 -1.26 -1.81 119.66 119.89 3f0g s GLN 13 Ca -0.08 2.05 -0.13 0.00 0.02 0.00 0.00 55.36 57.21 3f0g s GLN 13 Cb -0.08 -2.59 0.03 0.00 1.00 0.00 0.00 33.01 31.36 3f0g s GLN 13 CO 0.00 -0.59 0.28 -1.17 -2.12 0.00 0.00 175.29 171.69 3f0g s LEU 14 N -2.73 5.03 0.09 2.90 2.96 -0.34 -0.88 118.68 125.70 3f0g s LEU 14 Ca 0.61 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3f0g s LEU 14 Cb -0.35 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3f0g s LEU 14 CO 0.44 -0.45 -0.07 0.68 -1.32 0.00 0.00 176.35 175.64 3f0g s VAL 15 N 1.62 0.64 0.76 1.68 -7.23 0.08 -4.76 120.40 113.19 3f0g s VAL 15 Ca 0.04 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3f0g s VAL 15 Cb -0.20 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.31 3f0g s VAL 15 CO 0.08 -0.80 1.12 -2.84 -0.31 0.00 0.00 175.10 172.36 3f0g s PRO 16 N -3.45 2.20 0.00 4.82 0.02 -1.26 -0.54 135.00 136.79 3f0g s PRO 16 Ca 0.08 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3f0g s PRO 16 Cb 0.03 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3f0g s PRO 16 CO -0.04 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.32 3f0g n GLY 17 N -0.56 0.75 3.04 0.52 0.00 -1.26 -4.86 105.19 102.82 3f0g n GLY 17 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3f0g n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f0g s ARG 18 N -0.49 0.58 0.49 1.61 1.81 -1.26 -5.04 118.95 116.66 3f0g s ARG 18 Ca 0.00 -0.54 -0.21 0.00 -1.72 0.00 0.00 55.73 53.26 3f0g s ARG 18 Cb 0.00 -0.48 -0.07 0.00 -0.45 0.00 0.00 34.95 33.95 3f0g s ARG 18 CO 0.00 0.11 1.11 -1.25 -0.68 0.00 0.00 175.30 174.60 3f0g s PRO 19 N -0.93 3.63 -0.44 3.54 0.04 -1.26 -2.01 135.00 137.57 3f0g s PRO 19 Ca -0.03 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 3f0g s PRO 19 Cb -0.07 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3f0g s PRO 19 CO 0.00 -0.61 0.73 -1.17 0.04 0.00 0.00 177.00 175.99 3f0g s LEU 20 N -3.41 4.35 -0.18 -3.56 2.96 -1.26 -3.50 118.68 114.07 3f0g s LEU 20 Ca 0.68 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3f0g s LEU 20 Cb -0.23 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.62 3f0g s LEU 20 CO 0.28 -0.86 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.68 3f0g s ILE 21 N 3.11 1.72 -0.05 6.68 1.01 -1.26 -0.45 121.20 131.96 3f0g s ILE 21 Ca 0.27 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3f0g s ILE 21 Cb -0.13 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3f0g s ILE 21 CO 0.21 0.30 -0.04 -0.63 0.00 0.00 0.00 174.94 174.78 3f0g s ILE 22 N 1.39 0.56 -1.56 2.92 1.01 -0.51 -4.16 121.20 120.85 3f0g s ILE 22 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 3f0g s ILE 22 Cb -0.15 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.73 3f0g s ILE 22 CO -0.09 0.24 0.46 0.61 0.00 0.00 0.00 174.94 176.15 3f0g n GLY 23 N 4.22 -0.52 2.84 6.18 0.00 -1.26 -1.55 105.19 115.10 3f0g n GLY 23 Ca -0.22 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3f0g n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f0g n GLY 24 N -1.37 0.52 3.60 -0.02 0.00 -1.26 -4.43 105.19 102.22 3f0g n GLY 24 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3f0g n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f0g s VAL 25 N -2.39 5.03 -0.29 1.61 1.01 -0.60 -5.06 120.40 119.71 3f0g s VAL 25 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3f0g s VAL 25 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3f0g s VAL 25 CO 0.00 0.34 1.31 -0.89 0.00 0.00 0.00 175.10 175.87 3f0g s THR 26 N 1.19 4.12 -0.19 3.92 2.01 -1.26 -1.42 115.64 124.01 3f0g s THR 26 Ca 0.06 1.27 -0.08 0.00 0.31 0.00 0.00 61.69 63.25 3f0g s THR 26 Cb -0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3f0g s THR 26 CO 0.05 -0.46 0.09 -0.63 -0.69 0.00 0.00 174.62 172.98 3f0g s ILE 27 N 4.39 5.03 -0.03 1.82 1.01 0.40 -5.01 121.20 128.81 3f0g s ILE 27 Ca 0.57 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 3f0g s ILE 27 Cb -0.17 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 3f0g s ILE 27 CO 0.23 0.45 1.59 -2.16 0.00 0.00 0.00 174.94 175.05 3f0g s PRO 28 N 0.41 4.20 -0.16 2.79 0.04 -1.26 -4.29 135.00 136.73 3f0g s PRO 28 Ca 0.05 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 3f0g s PRO 28 Cb -0.12 -3.83 0.11 0.00 0.04 0.00 0.00 34.50 30.70 3f0g s PRO 28 CO -0.00 -0.77 0.93 -0.47 0.04 0.00 0.00 177.00 176.73 3f0g s TYR 29 N 3.47 -0.46 0.53 0.56 5.04 -1.26 -4.96 117.35 120.26 3f0g s TYR 29 Ca 0.71 0.86 0.40 0.00 -2.44 0.00 0.00 57.07 56.61 3f0g s TYR 29 Cb -0.34 0.42 2.11 0.00 0.35 0.00 0.00 41.96 44.51 3f0g s TYR 29 CO 0.29 -0.38 2.27 0.93 -1.34 0.00 0.00 175.55 177.32 3f0g h GLU 30 N 3.01 0.00 -5.21 4.97 3.07 -1.96 -3.44 114.58 115.03 3f0g h GLU 30 Ca -0.22 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.27 3f0g h GLU 30 Cb 1.16 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.93 3f0g h GLU 30 CO 0.28 0.01 -0.71 1.03 -1.40 0.00 0.00 179.01 178.22 3f0g s ARG 31 N -4.08 1.20 0.28 2.33 0.52 -1.26 -4.50 118.95 113.43 3f0g s ARG 31 Ca -0.04 -1.54 0.02 0.00 -0.52 0.00 0.00 55.73 53.65 3f0g s ARG 31 Cb 0.12 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 3f0g s ARG 31 CO 0.46 0.06 0.15 0.20 0.02 0.00 0.00 175.30 176.20 3f0g s GLY 32 N -3.24 1.90 0.20 -3.53 0.00 0.30 -4.03 107.32 98.91 3f0g s GLY 32 Ca 0.21 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.91 3f0g s GLY 32 CO 0.04 -1.54 0.77 1.08 0.00 0.00 0.00 173.10 173.45 3f0g s LEU 33 N -3.32 4.48 -0.23 0.66 1.43 -1.23 -0.75 118.68 119.73 3f0g s LEU 33 Ca 0.37 1.57 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3f0g s LEU 33 Cb 0.06 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3f0g s LEU 33 CO 0.17 0.13 0.03 -0.22 0.23 0.00 0.00 176.35 176.68 3f0g s LEU 34 N -1.51 3.29 0.00 1.79 2.96 -0.06 -4.60 118.68 120.56 3f0g s LEU 34 Ca 0.39 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 3f0g s LEU 34 Cb -0.20 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3f0g s LEU 34 CO 0.24 -0.00 0.45 0.61 -1.32 0.00 0.00 176.35 176.33 3f0g n GLY 35 N 4.69 1.22 0.31 7.98 0.00 -1.26 -4.24 105.19 113.89 3f0g n GLY 35 Ca -0.17 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 3f0g n GLY 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3f0g h HIS 36 N 1.48 0.96 -0.01 1.61 3.86 -2.01 -3.45 115.15 117.58 3f0g h HIS 36 Ca -0.15 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3f0g h HIS 36 Cb 0.59 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3f0g h HIS 36 CO 0.00 0.81 0.00 0.43 0.86 0.00 0.00 177.93 180.03 3f0g n SER 37 N -4.25 0.00 0.00 2.45 7.64 -1.26 -4.99 113.62 113.21 3f0g n SER 37 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.03 3f0g n SER 37 Cb 0.25 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.02 3f0g n SER 37 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3f0g n ASP 38 N 0.00 0.00 -3.98 6.43 5.68 -1.26 -4.91 116.55 118.51 3f0g n ASP 38 Ca 0.00 0.06 -0.31 0.00 -0.50 0.00 0.00 54.79 54.04 3f0g n ASP 38 Cb 0.00 -0.33 0.02 0.00 -1.14 0.00 0.00 41.12 39.67 3f0g n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f0g n ALA 39 N -1.33 -1.29 -2.19 2.12 0.00 -1.26 -4.64 120.51 111.92 3f0g n ALA 39 Ca 0.10 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3f0g n ALA 39 Cb 0.20 -4.26 -0.04 0.00 0.00 0.00 0.00 19.45 15.34 3f0g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f0g s ASP 40 N -3.32 5.51 0.26 0.00 -1.08 -1.26 -4.81 116.67 111.97 3f0g s ASP 40 Ca 0.67 -0.89 -0.04 0.00 -0.52 0.00 0.00 52.55 51.78 3f0g s ASP 40 Cb -0.34 -2.56 0.37 0.00 -1.46 0.00 0.00 42.92 38.92 3f0g s ASP 40 CO 0.85 -2.41 1.89 1.62 0.52 0.00 0.00 175.17 177.64 3f0g h VAL 41 N 7.13 1.12 -0.09 1.11 3.04 -1.89 -1.24 116.25 125.44 3f0g h VAL 41 Ca 0.13 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 3f0g h VAL 41 Cb 1.01 -0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.11 3f0g h VAL 41 CO 1.27 0.22 0.01 0.25 -1.01 0.00 0.00 177.57 178.30 3f0g h LEU 42 N 1.19 0.15 -0.80 3.16 5.85 -1.89 -2.16 115.31 120.80 3f0g h LEU 42 Ca 0.41 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3f0g h LEU 42 Cb 0.10 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3f0g h LEU 42 CO -0.15 0.40 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.02 3f0g h LEU 43 N -0.11 0.63 -0.26 2.25 3.38 -1.89 -2.25 115.31 117.05 3f0g h LEU 43 Ca 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3f0g h LEU 43 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3f0g h LEU 43 CO 0.00 0.86 0.15 0.45 0.09 0.00 0.00 178.44 180.00 3f0g h HIS 44 N 0.54 0.35 -0.51 1.13 3.86 -1.22 0.02 115.15 119.32 3f0g h HIS 44 Ca 0.07 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 3f0g h HIS 44 Cb 0.73 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 3f0g h HIS 44 CO 0.03 0.28 0.25 0.00 0.86 0.00 0.00 177.93 179.35 3f0g h ALA 45 N 1.04 0.65 -0.42 2.45 0.00 -1.21 0.55 119.26 122.32 3f0g h ALA 45 Ca 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3f0g h ALA 45 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3f0g h ALA 45 CO -0.02 -0.10 0.08 0.82 0.00 0.00 0.00 179.25 180.03 3f0g h ILE 46 N 0.49 1.24 -0.27 0.00 2.04 -1.30 -1.30 117.51 118.40 3f0g h ILE 46 Ca 0.23 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3f0g h ILE 46 Cb 0.15 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3f0g h ILE 46 CO -0.17 0.29 0.01 0.74 0.00 0.00 0.00 178.15 179.02 3f0g h THR 47 N 0.54 0.81 -0.87 -0.27 2.02 -0.59 -0.90 112.91 113.66 3f0g h THR 47 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3f0g h THR 47 Cb 0.35 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3f0g h THR 47 CO 0.00 0.02 0.55 0.44 0.37 0.00 0.00 175.52 176.90 3f0g h ASP 48 N 0.09 1.03 -0.94 4.18 3.32 -0.79 -1.66 116.42 121.66 3f0g h ASP 48 Ca 0.13 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3f0g h ASP 48 Cb 0.17 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3f0g h ASP 48 CO -0.21 0.77 0.58 0.00 -1.72 0.00 0.00 179.24 178.65 3f0g h ALA 49 N 1.30 1.25 -0.13 3.45 0.00 -0.73 -0.07 119.26 124.33 3f0g h ALA 49 Ca 0.32 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3f0g h ALA 49 Cb -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3f0g h ALA 49 CO -0.06 0.65 -0.45 -0.07 0.00 0.00 0.00 179.25 179.32 3f0g h LEU 50 N 1.29 0.63 -0.84 0.00 3.38 -0.88 -0.64 115.31 118.25 3f0g h LEU 50 Ca 0.34 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3f0g h LEU 50 Cb -0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3f0g h LEU 50 CO -0.07 1.13 0.54 -0.26 0.09 0.00 0.00 178.44 179.87 3f0g h PHE 51 N 0.16 1.02 -0.41 1.13 0.04 -1.22 -2.38 116.94 115.29 3f0g h PHE 51 Ca -0.02 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3f0g h PHE 51 Cb 1.08 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3f0g h PHE 51 CO 0.11 0.61 0.04 0.78 -0.60 0.00 0.00 178.31 179.24 3f0g h GLY 52 N 1.07 0.74 1.24 -1.45 0.00 -0.91 0.23 103.07 103.99 3f0g h GLY 52 Ca 0.32 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3f0g h GLY 52 CO -0.10 0.48 0.39 0.00 0.00 0.00 0.00 176.54 177.31 3f0g h ALA 53 N 0.91 1.33 -0.01 3.60 0.00 -1.03 -2.17 119.26 121.90 3f0g h ALA 53 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3f0g h ALA 53 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3f0g h ALA 53 CO 0.01 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 3f0g n ALA 54 N -2.43 2.69 -3.61 0.00 0.00 -0.90 -4.57 120.51 111.68 3f0g n ALA 54 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 3f0g n ALA 54 Cb 0.10 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.40 3f0g n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f0g n ALA 55 N -0.19 -1.74 -0.27 0.00 0.00 -0.31 -4.93 120.51 113.07 3f0g n ALA 55 Ca 0.18 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.75 3f0g n ALA 55 Cb 0.32 -3.37 0.19 0.00 0.00 0.00 0.00 19.45 16.59 3f0g n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f0g n LEU 56 N -4.47 3.19 0.00 0.00 4.77 0.64 -5.02 117.00 116.12 3f0g n LEU 56 Ca -0.17 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 3f0g n LEU 56 Cb 0.62 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3f0g n LEU 56 CO 0.66 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 3f0g n GLY 57 N 0.64 1.01 2.83 -0.72 0.00 -1.25 -4.03 105.19 103.66 3f0g n GLY 57 Ca 0.14 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 3f0g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f0g n ASP 58 N 0.00 -0.86 0.24 1.61 5.68 -1.26 -3.92 116.55 118.05 3f0g n ASP 58 Ca 0.00 -2.78 0.07 0.00 -0.50 0.00 0.00 54.79 51.58 3f0g n ASP 58 Cb 0.00 1.77 0.59 0.00 -1.14 0.00 0.00 41.12 42.34 3f0g n ASP 58 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3f0g h ILE 59 N 1.90 0.99 0.00 2.12 -0.00 -1.90 0.18 117.51 120.81 3f0g h ILE 59 Ca -0.22 -0.45 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 3f0g h ILE 59 Cb 1.03 1.25 0.00 0.00 -0.00 0.00 0.00 36.82 39.10 3f0g h ILE 59 CO 0.30 0.13 0.00 1.23 -0.00 0.00 0.00 178.15 179.81 3f0g h GLY 60 N 0.44 0.00 0.00 0.16 0.00 -2.00 -3.39 103.07 98.28 3f0g h GLY 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f0g h GLY 60 CO 0.02 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.43 3f0g n ARG 61 N -2.59 0.00 -3.33 4.80 0.63 0.16 -5.22 116.66 111.10 3f0g n ARG 61 Ca 0.04 0.06 -0.38 0.00 -0.92 0.00 0.00 57.85 56.65 3f0g n ARG 61 Cb 0.44 -0.35 -0.03 0.00 0.45 0.00 0.00 32.46 32.97 3f0g n ARG 61 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3f0g n HIS 62 N -1.80 3.64 0.00 -0.14 -0.00 0.39 -4.93 115.22 112.37 3f0g n HIS 62 Ca 0.00 -3.57 0.00 0.00 -0.00 0.00 0.00 57.72 54.15 3f0g n HIS 62 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 28.82 3f0g n HIS 62 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3f0g n ASP 74 N 1.77 0.00 0.24 0.41 -0.08 -1.26 -4.79 116.55 112.83 3f0g n ASP 74 Ca 0.25 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.66 3f0g n ASP 74 Cb 0.37 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.25 3f0g n ASP 74 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3f0g h SER 75 N 1.86 0.00 -0.49 1.67 0.02 -1.98 -2.73 113.55 111.91 3f0g h SER 75 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3f0g h SER 75 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3f0g h SER 75 CO 0.00 0.08 0.03 0.03 -1.14 0.00 0.00 176.83 175.83 3f0g h ARG 76 N 0.00 0.84 -0.60 3.45 3.08 -1.98 0.29 114.38 119.45 3f0g h ARG 76 Ca -0.00 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 3f0g h ARG 76 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3f0g h ARG 76 CO 0.01 0.87 -0.01 0.00 -1.07 0.00 0.00 179.97 179.76 3f0g h ALA 77 N 0.94 0.81 -0.76 0.04 0.00 -1.95 -1.09 119.26 117.25 3f0g h ALA 77 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3f0g h ALA 77 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3f0g h ALA 77 CO 0.02 0.66 0.33 -0.07 0.00 0.00 0.00 179.25 180.19 3f0g h LEU 78 N 0.96 1.01 -0.53 0.00 3.38 -1.35 -1.19 115.31 117.59 3f0g h LEU 78 Ca 0.17 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3f0g h LEU 78 Cb 0.58 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3f0g h LEU 78 CO 0.03 0.88 -0.14 0.25 0.09 0.00 0.00 178.44 179.56 3f0g h LEU 79 N 1.09 1.04 -0.67 1.67 5.85 -0.68 0.36 115.31 123.97 3f0g h LEU 79 Ca 0.26 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3f0g h LEU 79 Cb 0.16 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3f0g h LEU 79 CO -0.03 1.17 0.26 0.03 -0.34 0.00 0.00 178.44 179.53 3f0g h ARG 80 N 0.91 1.02 -0.63 1.25 3.08 -1.01 -0.82 114.38 118.17 3f0g h ARG 80 Ca 0.13 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3f0g h ARG 80 Cb 0.71 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3f0g h ARG 80 CO 0.05 0.86 0.19 1.49 -1.07 0.00 0.00 179.97 181.49 3f0g h GLU 81 N 0.96 0.99 -0.31 0.04 4.57 -1.06 -1.63 114.58 118.14 3f0g h GLU 81 Ca 0.22 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3f0g h GLU 81 Cb 0.23 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3f0g h GLU 81 CO -0.02 0.87 0.04 0.00 -1.18 0.00 0.00 179.01 178.72 3f0g h ALA 83 N 1.25 1.43 -0.16 0.00 0.00 -0.94 0.89 119.26 121.73 3f0g h ALA 83 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3f0g h ALA 83 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3f0g h ALA 83 CO -0.22 0.52 0.05 1.03 0.00 0.00 0.00 179.25 180.63 3f0g h SER 84 N 1.03 0.22 -0.85 0.00 0.87 -0.82 -0.20 113.55 113.81 3f0g h SER 84 Ca 0.28 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3f0g h SER 84 Cb -0.10 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 3f0g h SER 84 CO -0.06 0.35 0.43 0.03 -0.53 0.00 0.00 176.83 177.05 3f0g h ARG 85 N 0.08 1.22 -0.39 2.24 2.47 -0.66 -1.19 114.38 118.16 3f0g h ARG 85 Ca 0.05 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 3f0g h ARG 85 Cb 0.20 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3f0g h ARG 85 CO -0.00 0.92 0.19 0.28 0.56 0.00 0.00 179.97 181.92 3f0g h VAL 86 N 1.21 1.17 -0.44 2.04 2.07 -0.71 -2.26 116.25 119.32 3f0g h VAL 86 Ca 0.30 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3f0g h VAL 86 Cb 0.09 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3f0g h VAL 86 CO -0.04 0.18 0.22 0.00 0.02 0.00 0.00 177.57 177.95 3f0g h ALA 87 N 1.04 0.57 0.00 1.67 0.00 -0.65 -2.23 119.26 119.66 3f0g h ALA 87 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3f0g h ALA 87 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f0g h ALA 87 CO -0.02 0.12 -0.38 -0.56 0.00 0.00 0.00 179.25 178.42 3f0g h GLN 88 N 0.58 0.00 0.00 0.00 3.07 -1.19 -1.39 115.11 116.17 3f0g h GLN 88 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 3f0g h GLN 88 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 3f0g h GLN 88 CO -0.02 0.38 0.00 0.00 0.09 0.00 0.00 178.83 179.28 3f0g n ALA 89 N -2.26 2.07 -0.40 0.06 0.00 -0.86 -4.86 120.51 114.25 3f0g n ALA 89 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3f0g n ALA 89 Cb 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3f0g n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f0g n GLY 90 N 0.24 1.15 3.49 0.00 0.00 -0.53 -5.04 105.19 104.50 3f0g n GLY 90 Ca 0.11 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3f0g n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f0g s PHE 91 N -2.00 2.66 -0.08 1.61 0.08 -0.85 -1.66 117.98 117.74 3f0g s PHE 91 Ca 0.00 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.86 3f0g s PHE 91 Cb 0.00 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3f0g s PHE 91 CO 0.00 0.26 -0.08 0.00 -0.10 0.00 0.00 175.22 175.30 3f0g s ALA 92 N -0.89 2.93 0.05 5.36 0.00 0.35 -3.80 121.76 125.77 3f0g s ALA 92 Ca 0.14 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 3f0g s ALA 92 Cb -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3f0g s ALA 92 CO 0.05 0.51 0.89 0.42 0.00 0.00 0.00 175.76 177.63 3f0g s ILE 93 N -0.61 4.69 -0.26 0.00 1.01 -1.26 -0.60 121.20 124.18 3f0g s ILE 93 Ca 0.09 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.59 3f0g s ILE 93 Cb -0.12 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 37.97 3f0g s ILE 93 CO 0.02 0.29 -0.28 0.54 0.00 0.00 0.00 174.94 175.50 3f0g n ARG 94 N 3.13 0.59 -3.47 2.79 5.12 0.74 -4.94 116.66 120.61 3f0g n ARG 94 Ca 0.02 0.20 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 3f0g n ARG 94 Cb 0.50 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 3f0g n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3f0g s ASN 95 N -6.89 -0.47 -0.05 0.55 4.22 -1.07 -4.86 114.94 106.36 3f0g s ASN 95 Ca -0.35 0.05 0.02 0.00 -2.14 0.00 0.00 52.86 50.44 3f0g s ASN 95 Cb 0.11 0.48 0.01 0.00 1.28 0.00 0.00 41.25 43.14 3f0g s ASN 95 CO 0.52 -0.77 -0.10 -0.69 -2.04 0.00 0.00 177.10 174.02 3f0g s VAL 96 N -3.24 0.98 0.18 3.54 1.01 -0.08 -1.52 120.40 121.28 3f0g s VAL 96 Ca 0.02 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.70 3f0g s VAL 96 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3f0g s VAL 96 CO -0.10 0.32 -0.23 -0.62 0.00 0.00 0.00 175.10 174.48 3f0g s ASP 97 N 0.62 3.22 0.17 3.32 2.15 -0.26 -1.04 116.67 124.85 3f0g s ASP 97 Ca -0.12 -0.86 -0.20 0.00 0.43 0.00 0.00 52.55 51.80 3f0g s ASP 97 Cb -0.14 -0.23 0.05 0.00 -0.30 0.00 0.00 42.92 42.30 3f0g s ASP 97 CO 0.03 0.08 0.56 -0.94 -0.17 0.00 0.00 175.17 174.73 3f0g s SER 98 N -2.64 -0.42 -0.03 -0.34 1.04 -0.83 -0.21 113.70 110.27 3f0g s SER 98 Ca 0.19 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3f0g s SER 98 Cb -0.07 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3f0g s SER 98 CO 0.09 -1.00 -0.02 -0.89 0.98 0.00 0.00 173.24 172.40 3f0g s THR 99 N -3.80 0.33 -0.21 2.02 2.01 0.10 -0.80 115.64 115.30 3f0g s THR 99 Ca 0.04 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 3f0g s THR 99 Cb -0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 3f0g s THR 99 CO -0.09 0.17 0.11 -0.63 -0.69 0.00 0.00 174.62 173.49 3f0g s ILE 100 N 0.85 5.06 -0.47 1.82 1.01 0.70 -0.89 121.20 129.28 3f0g s ILE 100 Ca -0.10 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3f0g s ILE 100 Cb -0.13 -3.32 0.10 0.00 0.01 0.00 0.00 42.46 39.12 3f0g s ILE 100 CO -0.01 0.41 0.36 -0.63 0.00 0.00 0.00 174.94 175.07 3f0g s ILE 101 N 0.70 4.58 -0.04 2.92 1.01 0.31 -0.37 121.20 130.32 3f0g s ILE 101 Ca 0.06 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.23 3f0g s ILE 101 Cb -0.13 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.48 3f0g s ILE 101 CO 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 174.94 174.26 3f0g s ALA 102 N 1.48 0.49 0.18 9.38 0.00 0.09 -2.11 121.76 131.26 3f0g s ALA 102 Ca 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 3f0g s ALA 102 Cb -0.26 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.55 3f0g s ALA 102 CO 0.02 -0.06 1.58 0.37 0.00 0.00 0.00 175.76 177.66 3f0g h GLN 103 N 7.27 0.91 -2.77 0.00 5.75 -1.79 -3.34 115.11 121.15 3f0g h GLN 103 Ca -0.39 -0.39 -0.06 0.00 -0.15 0.00 0.00 58.65 57.66 3f0g h GLN 103 Cb 1.14 -0.03 -0.16 0.00 1.07 0.00 0.00 27.48 29.50 3f0g h GLN 103 CO 0.46 1.04 0.03 0.00 -2.65 0.00 0.00 178.83 177.71 3f0g s ALA 104 N -4.63 -1.31 0.92 3.38 0.00 -1.26 -4.83 121.76 114.03 3f0g s ALA 104 Ca -0.11 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 3f0g s ALA 104 Cb 0.12 0.36 0.20 0.00 0.00 0.00 0.00 23.12 23.81 3f0g s ALA 104 CO 0.86 -0.49 1.26 -1.25 0.00 0.00 0.00 175.76 176.14 3f0g s PRO 105 N -2.39 0.71 0.13 0.00 0.04 -1.26 -5.07 135.00 127.16 3f0g s PRO 105 Ca -0.06 -0.68 -0.31 0.00 0.04 0.00 0.00 61.00 60.00 3f0g s PRO 105 Cb -0.01 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3f0g s PRO 105 CO -0.01 -2.29 1.69 0.15 0.04 0.00 0.00 177.00 176.58 3f0g s LYS 106 N -5.75 4.17 -0.02 4.56 -0.14 -1.26 -4.92 119.74 116.38 3f0g s LYS 106 Ca 0.74 2.46 0.18 0.00 -1.36 0.00 0.00 55.97 57.99 3f0g s LYS 106 Cb -0.03 -3.39 -0.26 0.00 -1.68 0.00 0.00 37.83 32.47 3f0g s LYS 106 CO 0.51 -0.73 0.49 1.28 -0.76 0.00 0.00 175.35 176.14 3f0g n LEU 107 N 4.92 0.20 -0.31 3.17 4.77 -1.26 -4.58 117.00 123.91 3f0g n LEU 107 Ca 0.16 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3f0g n LEU 107 Cb 0.38 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.76 3f0g n LEU 107 CO 0.63 0.05 1.08 0.00 -1.33 0.00 0.00 177.39 177.82 3f0g h ALA 108 N 1.88 1.43 0.00 -1.18 0.00 -1.99 -0.37 119.26 119.04 3f0g h ALA 108 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f0g h ALA 108 Cb 0.73 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3f0g h ALA 108 CO 0.00 -0.24 0.00 -1.35 0.00 0.00 0.00 179.25 177.66 3f0g h PRO 109 N 0.50 0.00 -0.02 0.00 0.11 -2.02 -2.91 132.00 127.67 3f0g h PRO 109 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3f0g h PRO 109 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3f0g h PRO 109 CO -0.46 0.00 -0.01 0.72 -0.21 0.00 0.00 178.00 178.03 3f0g n HIS 110 N -2.64 0.00 -0.19 0.65 8.25 -0.16 -4.62 115.22 116.51 3f0g n HIS 110 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 3f0g n HIS 110 Cb 0.14 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.27 3f0g n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3f0g h ILE 111 N 3.07 1.18 -0.51 1.59 1.08 -1.35 -2.30 117.51 120.28 3f0g h ILE 111 Ca 0.00 -0.48 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 3f0g h ILE 111 Cb 0.66 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 3f0g h ILE 111 CO 0.00 0.20 0.20 0.44 -0.69 0.00 0.00 178.15 178.30 3f0g h ASP 112 N 0.72 0.23 -0.51 1.72 3.32 -1.82 -0.53 116.42 119.55 3f0g h ASP 112 Ca 0.19 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3f0g h ASP 112 Cb 0.06 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3f0g h ASP 112 CO -0.03 0.16 0.12 0.00 -1.72 0.00 0.00 179.24 177.77 3f0g h ALA 113 N 1.33 0.67 -0.30 3.45 0.00 -1.84 -1.24 119.26 121.35 3f0g h ALA 113 Ca 0.24 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3f0g h ALA 113 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3f0g h ALA 113 CO -0.23 0.38 0.16 0.52 0.00 0.00 0.00 179.25 180.08 3f0g h MET 114 N 0.71 0.33 -0.55 0.00 2.86 -0.88 0.13 114.93 117.52 3f0g h MET 114 Ca 0.16 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3f0g h MET 114 Cb 0.34 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3f0g h MET 114 CO 0.00 0.22 0.33 0.00 1.06 0.00 0.00 176.91 178.52 3f0g h ARG 115 N 0.33 0.75 -0.42 1.72 3.08 -1.03 -0.84 114.38 117.98 3f0g h ARG 115 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3f0g h ARG 115 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3f0g h ARG 115 CO -0.07 0.55 0.25 0.00 -1.07 0.00 0.00 179.97 179.63 3f0g h ALA 116 N 1.16 0.53 0.16 0.04 0.00 -0.84 0.85 119.26 121.17 3f0g h ALA 116 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f0g h ALA 116 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3f0g h ALA 116 CO -0.04 0.02 -0.10 -0.91 0.00 0.00 0.00 179.25 178.23 3f0g h ASN 117 N 0.55 -0.24 -0.29 0.00 2.35 -0.53 -1.07 115.58 116.35 3f0g h ASN 117 Ca 0.15 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3f0g h ASN 117 Cb -0.00 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3f0g h ASN 117 CO -0.03 -0.16 0.17 0.40 -1.65 0.00 0.00 177.43 176.16 3f0g h ILE 118 N -0.25 1.11 -0.71 2.81 2.04 -1.06 -0.81 117.51 120.65 3f0g h ILE 118 Ca -0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3f0g h ILE 118 Cb 0.21 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3f0g h ILE 118 CO 0.02 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.60 3f0g h ALA 119 N 1.05 1.23 -0.12 1.87 0.00 -0.78 -0.65 119.26 121.86 3f0g h ALA 119 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3f0g h ALA 119 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3f0g h ALA 119 CO -0.02 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3f0g h ALA 120 N 1.34 0.16 0.00 0.00 0.00 -0.99 -0.26 119.26 119.51 3f0g h ALA 120 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3f0g h ALA 120 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3f0g h ALA 120 CO -0.03 -0.17 -0.17 -0.44 0.00 0.00 0.00 179.25 178.45 3f0g h ASP 121 N -0.03 0.00 -0.03 0.00 3.32 -0.76 -2.44 116.42 116.48 3f0g h ASP 121 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3f0g h ASP 121 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3f0g h ASP 121 CO 0.00 0.17 -0.03 0.18 -1.72 0.00 0.00 179.24 177.84 3f0g n LEU 122 N -4.24 2.77 -3.84 1.55 4.77 -0.29 -4.47 117.00 113.26 3f0g n LEU 122 Ca -0.02 -0.98 -0.25 0.00 -0.03 0.00 0.00 56.01 54.73 3f0g n LEU 122 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3f0g n LEU 122 CO 0.35 0.47 -0.16 -0.67 -1.33 0.00 0.00 177.39 176.05 3f0g n ASP 123 N 1.15 -1.14 -4.47 -1.43 2.03 -0.26 -4.99 116.55 107.44 3f0g n ASP 123 Ca 0.13 -0.95 -0.29 0.00 0.52 0.00 0.00 54.79 54.20 3f0g n ASP 123 Cb 0.54 -3.43 -0.12 0.00 -0.72 0.00 0.00 41.12 37.39 3f0g n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3f0g s LEU 124 N -6.81 2.62 0.45 -2.67 1.43 -0.30 -5.04 118.68 108.36 3f0g s LEU 124 Ca 0.05 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.34 3f0g s LEU 124 Cb -0.02 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 3f0g s LEU 124 CO 0.86 0.19 1.10 -2.65 0.23 0.00 0.00 176.35 176.08 3f0g n PRO 125 N 0.90 1.48 0.05 1.29 -0.02 -1.26 -4.66 135.00 132.78 3f0g n PRO 125 Ca -0.16 0.53 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 3f0g n PRO 125 Cb 0.53 -2.19 0.44 0.00 -0.02 0.00 0.00 33.50 32.25 3f0g n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3f0g h LEU 126 N 1.54 0.38 0.00 2.45 5.85 -1.94 -2.07 115.31 121.52 3f0g h LEU 126 Ca -0.46 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3f0g h LEU 126 Cb 1.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3f0g h LEU 126 CO 0.57 0.32 0.00 -0.90 -0.34 0.00 0.00 178.44 178.09 3f0g n ASP 127 N -4.44 0.00 -0.46 1.25 5.68 -1.26 -2.14 116.55 115.18 3f0g n ASP 127 Ca 0.02 -1.49 0.05 0.00 -0.50 0.00 0.00 54.79 52.87 3f0g n ASP 127 Cb 0.11 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.14 3f0g n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f0g n ARG 128 N -0.59 0.79 -4.99 0.11 1.74 -0.78 -4.94 116.66 107.99 3f0g n ARG 128 Ca 0.04 -1.25 -0.32 0.00 -0.77 0.00 0.00 57.85 55.54 3f0g n ARG 128 Cb 0.02 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.08 3f0g n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f0g s VAL 129 N -0.92 2.49 -0.02 1.55 1.01 -0.91 -0.90 120.40 122.70 3f0g s VAL 129 Ca 0.14 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3f0g s VAL 129 Cb 0.09 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3f0g s VAL 129 CO 0.14 0.54 -0.04 0.21 0.00 0.00 0.00 175.10 175.95 3f0g s ASN 130 N 0.38 0.67 -0.06 3.32 2.47 -0.21 -4.99 114.94 116.53 3f0g s ASN 130 Ca -0.15 -0.10 0.04 0.00 0.42 0.00 0.00 52.86 53.07 3f0g s ASN 130 Cb -0.17 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.45 3f0g s ASN 130 CO 0.07 0.02 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.61 3f0g s VAL 131 N 0.27 1.40 0.25 -5.21 1.01 -1.26 -1.97 120.40 114.88 3f0g s VAL 131 Ca -0.03 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.39 3f0g s VAL 131 Cb -0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3f0g s VAL 131 CO -0.00 0.41 -0.14 -0.54 0.00 0.00 0.00 175.10 174.83 3f0g s LYS 132 N 0.26 1.87 -0.01 2.72 1.02 0.02 -4.96 119.74 120.66 3f0g s LYS 132 Ca -0.09 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 54.38 3f0g s LYS 132 Cb -0.13 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3f0g s LYS 132 CO 0.03 0.37 -0.15 0.00 -0.92 0.00 0.00 175.35 174.68 3f0g s ALA 133 N -2.21 1.23 -0.01 5.17 0.00 -1.26 -0.22 121.76 124.47 3f0g s ALA 133 Ca 0.28 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 3f0g s ALA 133 Cb -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3f0g s ALA 133 CO 0.15 0.30 0.09 0.15 0.00 0.00 0.00 175.76 176.46 3f0g s LYS 134 N -0.39 0.34 0.66 0.00 -0.14 0.50 -4.92 119.74 115.79 3f0g s LYS 134 Ca 0.06 -0.28 -0.03 0.00 -1.36 0.00 0.00 55.97 54.35 3f0g s LYS 134 Cb -0.06 0.14 0.07 0.00 -1.68 0.00 0.00 37.83 36.30 3f0g s LYS 134 CO -0.00 -0.07 0.93 0.95 -0.76 0.00 0.00 175.35 176.40 3f0g s THR 135 N -0.97 2.39 -0.25 2.17 -4.23 -1.25 -0.73 115.64 112.77 3f0g s THR 135 Ca -0.11 -0.46 0.15 0.00 -1.18 0.00 0.00 61.69 60.09 3f0g s THR 135 Cb -0.06 -2.93 0.72 0.00 1.34 0.00 0.00 72.50 71.57 3f0g s THR 135 CO 0.01 0.00 1.64 -3.20 -0.54 0.00 0.00 174.62 172.52 3f0g n ASN 136 N -2.72 5.08 -3.75 3.99 5.15 -1.26 -4.85 115.26 116.90 3f0g n ASN 136 Ca 0.09 -2.95 -0.28 0.00 -0.60 0.00 0.00 54.58 50.84 3f0g n ASN 136 Cb 0.60 -0.63 0.04 0.00 -0.53 0.00 0.00 39.78 39.25 3f0g n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3f0g n GLU 137 N 0.24 -5.85 -1.22 1.20 -0.58 -1.26 -1.63 120.64 111.54 3f0g n GLU 137 Ca 0.26 0.66 -0.07 0.00 -0.42 0.00 0.00 57.16 57.58 3f0g n GLU 137 Cb 1.09 -5.58 -0.03 0.00 -0.57 0.00 0.00 31.44 26.35 3f0g n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3f0g n LYS 138 N -4.64 -1.25 -3.70 3.49 4.76 -1.26 -4.98 118.16 110.58 3f0g n LYS 138 Ca 0.02 0.69 -0.36 0.00 -2.87 0.00 0.00 58.31 55.79 3f0g n LYS 138 Cb 0.54 -4.80 -0.07 0.00 -1.84 0.00 0.00 35.03 28.86 3f0g n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f0g s LEU 139 N -1.70 4.29 0.00 -0.35 1.43 -0.65 -4.41 118.68 117.29 3f0g s LEU 139 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3f0g s LEU 139 Cb 0.00 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3f0g s LEU 139 CO 0.00 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3f0g n GLY 140 N 2.91 -0.82 0.26 -3.19 0.00 -1.26 -0.89 105.19 102.20 3f0g n GLY 140 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3f0g n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3f0g h TYR 141 N 0.00 0.44 -0.21 1.61 -0.00 -1.97 -1.01 116.97 115.83 3f0g h TYR 141 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 58.73 58.64 3f0g h TYR 141 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 3f0g h TYR 141 CO 0.00 0.50 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.58 3f0g h LEU 142 N 0.40 0.36 -1.43 0.10 3.38 -1.81 0.51 115.31 116.83 3f0g h LEU 142 Ca 0.08 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3f0g h LEU 142 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3f0g h LEU 142 CO 0.02 0.59 -0.25 1.23 0.09 0.00 0.00 178.44 180.12 3f0g h GLY 143 N 0.13 0.00 0.78 0.83 0.00 -0.72 -2.29 103.07 101.80 3f0g h GLY 143 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3f0g h GLY 143 CO 0.01 0.00 -0.09 0.54 0.00 0.00 0.00 176.54 177.00 3f0g n ARG 144 N -3.70 0.80 -0.85 4.80 1.74 -0.41 -4.24 116.66 114.80 3f0g n ARG 144 Ca -0.01 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 3f0g n ARG 144 Cb 0.36 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3f0g n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f0g n GLY 145 N 1.24 0.48 0.10 -0.13 0.00 -0.86 -4.96 105.19 101.07 3f0g n GLY 145 Ca 0.16 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.46 3f0g n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f0g h GLU 146 N 0.15 0.00 -2.95 1.61 5.08 -1.10 -3.43 114.58 113.93 3f0g h GLU 146 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3f0g h GLU 146 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3f0g h GLU 146 CO 0.00 0.00 0.27 0.20 -1.00 0.00 0.00 179.01 178.48 3f0g s GLY 147 N -3.82 0.09 -0.03 -3.84 0.00 -1.22 -1.20 107.32 97.29 3f0g s GLY 147 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3f0g s GLY 147 CO 0.71 -0.10 -0.05 -0.42 0.00 0.00 0.00 173.10 173.25 3f0g s ILE 148 N -3.21 0.49 0.11 0.90 1.01 -0.75 -4.58 121.20 115.17 3f0g s ILE 148 Ca 0.13 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.69 3f0g s ILE 148 Cb -0.05 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3f0g s ILE 148 CO 0.08 0.19 -0.01 -0.70 0.00 0.00 0.00 174.94 174.51 3f0g s GLU 149 N 0.61 2.48 0.00 2.79 2.12 -0.90 -2.44 118.70 123.36 3f0g s GLU 149 Ca -0.08 -0.92 0.04 0.00 0.36 0.00 0.00 54.97 54.37 3f0g s GLU 149 Cb -0.11 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 3f0g s GLU 149 CO -0.00 0.52 -0.11 0.00 -0.54 0.00 0.00 175.26 175.12 3f0g s ALA 150 N -1.41 0.93 0.06 6.30 0.00 -0.41 -0.53 121.76 126.71 3f0g s ALA 150 Ca 0.26 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.76 3f0g s ALA 150 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3f0g s ALA 150 CO 0.18 0.21 -0.25 -0.65 0.00 0.00 0.00 175.76 175.25 3f0g s GLN 151 N -0.49 1.60 0.01 0.00 -0.21 -0.07 -1.88 119.66 118.62 3f0g s GLN 151 Ca 0.03 -1.11 -0.08 0.00 0.02 0.00 0.00 55.36 54.22 3f0g s GLN 151 Cb -0.05 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.15 3f0g s GLN 151 CO -0.00 0.46 0.16 0.00 -2.12 0.00 0.00 175.29 173.79 3f0g s ALA 152 N -0.86 -0.38 0.00 6.09 0.00 -0.56 -0.72 121.76 125.33 3f0g s ALA 152 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3f0g s ALA 152 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3f0g s ALA 152 CO 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 175.76 175.46 3f0g s ALA 153 N -1.52 0.84 -0.02 0.00 0.00 0.70 -0.23 121.76 121.52 3f0g s ALA 153 Ca -0.14 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3f0g s ALA 153 Cb -0.07 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3f0g s ALA 153 CO 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 175.76 175.95 3f0g s ALA 154 N -0.37 0.33 -0.21 0.00 0.00 -0.20 -1.11 121.76 120.21 3f0g s ALA 154 Ca 0.03 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 3f0g s ALA 154 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3f0g s ALA 154 CO -0.00 -0.02 0.02 -1.17 0.00 0.00 0.00 175.76 174.59 3f0g s LEU 155 N 0.70 3.38 0.44 0.00 2.96 -0.58 -0.99 118.68 124.59 3f0g s LEU 155 Ca -0.07 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3f0g s LEU 155 Cb -0.10 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 3f0g s LEU 155 CO -0.01 0.06 0.02 0.68 -1.32 0.00 0.00 176.35 175.78 3f0g s VAL 156 N 1.01 1.75 -0.04 1.68 -7.23 -0.25 -0.18 120.40 117.14 3f0g s VAL 156 Ca 0.02 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3f0g s VAL 156 Cb -0.14 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.09 3f0g s VAL 156 CO 0.02 0.00 0.09 0.54 -0.31 0.00 0.00 175.10 175.44 3f0g s VAL 157 N -2.76 -0.05 -0.36 1.32 0.11 0.23 -1.51 120.40 117.39 3f0g s VAL 157 Ca 0.26 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 59.19 3f0g s VAL 157 Cb 0.07 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.77 3f0g s VAL 157 CO 0.14 0.07 1.32 -0.60 -3.33 0.00 0.00 175.10 172.70 3f0g s ARG 158 N 0.97 3.77 0.00 1.54 3.52 -0.46 -0.49 118.95 127.80 3f0g s ARG 158 Ca -0.08 1.05 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 3f0g s ARG 158 Cb -0.10 -3.93 0.19 0.00 -1.56 0.00 0.00 34.95 29.54 3f0g s ARG 158 CO -0.04 -1.31 0.67 -0.85 -0.81 0.00 0.00 175.30 172.95