#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 4.45 -4.81 7.83 2.03 -1.26 -4.97 116.55 119.81 3f0g n ASP 2 Ca 0.00 -2.92 -0.34 0.00 0.52 0.00 0.00 54.79 52.05 3f0g n ASP 2 Cb 0.00 -1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 38.69 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 2.84 3.40 -0.00 -0.67 0.08 -1.26 -1.18 117.98 121.19 3f0g s PHE 3 Ca 0.47 1.64 -0.01 0.00 0.12 0.00 0.00 56.93 59.15 3f0g s PHE 3 Cb 0.10 -2.86 -0.00 0.00 -0.57 0.00 0.00 43.02 39.69 3f0g s PHE 3 CO -0.03 -0.03 0.01 1.03 -0.10 0.00 0.00 175.22 176.11 3f0g s ARG 4 N -2.91 0.07 0.12 0.44 1.81 -0.65 -4.97 118.95 112.86 3f0g s ARG 4 Ca 0.59 -0.07 0.06 0.00 -1.72 0.00 0.00 55.73 54.59 3f0g s ARG 4 Cb -0.11 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3f0g s ARG 4 CO 0.16 -0.01 -0.04 0.96 -0.68 0.00 0.00 175.30 175.69 3f0g s ILE 5 N -0.22 3.70 0.05 1.52 -4.36 -1.26 -1.31 121.20 119.31 3f0g s ILE 5 Ca -0.03 -1.20 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 3f0g s ILE 5 Cb -0.02 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 3f0g s ILE 5 CO -0.00 0.06 -0.07 -0.83 0.24 0.00 0.00 174.94 174.34 3f0g s GLY 6 N -2.42 0.51 0.06 6.27 0.00 -0.08 -4.13 107.32 107.54 3f0g s GLY 6 Ca 0.24 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 44.13 3f0g s GLY 6 CO 0.17 -0.94 -0.11 -0.86 0.00 0.00 0.00 173.10 171.36 3f0g s GLN 7 N -2.09 0.72 0.02 2.90 1.03 -1.26 -1.16 119.66 119.82 3f0g s GLN 7 Ca -0.06 -0.91 0.01 0.00 0.04 0.00 0.00 55.36 54.44 3f0g s GLN 7 Cb -0.06 -0.60 -0.02 0.00 0.03 0.00 0.00 33.01 32.36 3f0g s GLN 7 CO -0.01 0.12 -0.05 0.20 -2.54 0.00 0.00 175.29 173.02 3f0g s GLY 8 N -1.77 0.29 -0.01 2.60 0.00 0.38 -3.71 107.32 105.10 3f0g s GLY 8 Ca -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3f0g s GLY 8 CO 0.01 -0.52 0.02 -0.47 0.00 0.00 0.00 173.10 172.15 3f0g s TYR 9 N -0.94 0.00 0.02 1.90 6.14 -1.26 -1.16 117.35 122.05 3f0g s TYR 9 Ca -0.08 0.09 -0.13 0.00 0.64 0.00 0.00 57.07 57.59 3f0g s TYR 9 Cb -0.07 -0.11 0.02 0.00 0.42 0.00 0.00 41.96 42.21 3f0g s TYR 9 CO -0.00 -0.05 0.27 0.34 0.64 0.00 0.00 175.55 176.75 3f0g s ASP 10 N 0.54 -0.10 -0.10 4.32 2.15 -0.72 -4.69 116.67 118.06 3f0g s ASP 10 Ca -0.04 -0.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.67 3f0g s ASP 10 Cb -0.06 0.32 0.03 0.00 -0.30 0.00 0.00 42.92 42.90 3f0g s ASP 10 CO -0.02 -0.53 0.33 0.54 -0.17 0.00 0.00 175.17 175.32 3f0g s VAL 11 N -2.07 0.01 0.05 1.11 0.11 -1.26 -1.04 120.40 117.31 3f0g s VAL 11 Ca -0.09 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3f0g s VAL 11 Cb -0.03 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3f0g s VAL 11 CO -0.01 -0.05 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.63 3f0g s HIS 12 N -0.11 0.72 0.40 1.54 3.76 -1.00 -5.01 115.29 115.59 3f0g s HIS 12 Ca -0.03 -0.55 -0.24 0.00 -0.15 0.00 0.00 55.06 54.09 3f0g s HIS 12 Cb -0.03 -0.43 -0.08 0.00 1.11 0.00 0.00 32.58 33.15 3f0g s HIS 12 CO 0.01 -0.09 1.11 -0.65 -0.85 0.00 0.00 174.74 174.28 3f0g s GLN 13 N -1.86 4.08 -0.34 1.40 -0.21 -1.26 -1.88 119.66 119.59 3f0g s GLN 13 Ca -0.07 1.68 -0.17 0.00 0.02 0.00 0.00 55.36 56.81 3f0g s GLN 13 Cb -0.08 -2.59 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 3f0g s GLN 13 CO -0.00 -0.26 0.48 -0.51 -2.12 0.00 0.00 175.29 172.89 3f0g s LEU 14 N -2.61 4.34 0.05 2.90 1.43 0.46 -1.91 118.68 123.36 3f0g s LEU 14 Ca 0.58 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 3f0g s LEU 14 Cb -0.26 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 3f0g s LEU 14 CO 0.33 -0.44 -0.12 0.68 0.23 0.00 0.00 176.35 177.03 3f0g s VAL 15 N 2.32 0.92 0.73 -1.59 -7.23 0.12 -4.83 120.40 110.84 3f0g s VAL 15 Ca 0.18 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.06 3f0g s VAL 15 Cb -0.16 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.92 3f0g s VAL 15 CO 0.13 -0.22 1.13 -2.84 -0.31 0.00 0.00 175.10 172.99 3f0g s PRO 16 N -1.54 2.30 0.00 4.82 0.02 -1.26 -0.60 135.00 138.74 3f0g s PRO 16 Ca -0.04 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.43 3f0g s PRO 16 Cb -0.09 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3f0g s PRO 16 CO 0.01 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.45 3f0g n GLY 17 N -0.36 0.42 2.97 0.52 0.00 -1.26 -4.87 105.19 102.61 3f0g n GLY 17 Ca 0.11 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.75 0.32 0.44 1.61 1.81 -1.25 -5.02 118.95 115.12 3f0g s ARG 18 Ca 0.00 -0.37 -0.22 0.00 -1.72 0.00 0.00 55.73 53.42 3f0g s ARG 18 Cb 0.00 -0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.23 3f0g s ARG 18 CO 0.00 0.04 1.00 -1.25 -0.68 0.00 0.00 175.30 174.41 3f0g s PRO 19 N -0.74 4.07 -0.49 3.54 0.04 -1.26 -1.92 135.00 138.24 3f0g s PRO 19 Ca -0.05 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 3f0g s PRO 19 Cb -0.05 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3f0g s PRO 19 CO -0.00 -0.19 0.64 -1.17 0.04 0.00 0.00 177.00 176.32 3f0g s LEU 20 N -3.13 4.84 -0.21 -3.56 2.96 -1.26 -3.31 118.68 115.01 3f0g s LEU 20 Ca 0.63 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3f0g s LEU 20 Cb -0.15 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.07 3f0g s LEU 20 CO 0.19 -0.88 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.55 3f0g s ILE 21 N 2.71 2.20 -0.07 6.68 1.01 -1.26 -0.45 121.20 132.02 3f0g s ILE 21 Ca 0.17 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 3f0g s ILE 21 Cb -0.18 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3f0g s ILE 21 CO 0.13 0.37 -0.04 -0.63 0.00 0.00 0.00 174.94 174.78 3f0g s ILE 22 N 1.25 0.64 -1.59 2.92 -1.09 -0.58 -4.18 121.20 118.58 3f0g s ILE 22 Ca 0.01 -0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3f0g s ILE 22 Cb -0.15 -0.70 0.00 0.00 -1.58 0.00 0.00 42.46 40.03 3f0g s ILE 22 CO -0.10 0.28 0.01 0.61 -1.23 0.00 0.00 174.94 174.51 3f0g n GLY 23 N 4.63 -0.40 2.62 6.18 0.00 -1.26 -1.55 105.19 115.40 3f0g n GLY 23 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.02 0.61 3.53 -0.02 0.00 -1.26 -4.44 105.19 102.59 3f0g n GLY 24 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.61 4.75 -0.33 1.61 1.01 -0.60 -5.06 120.40 119.18 3f0g s VAL 25 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 3f0g s VAL 25 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3f0g s VAL 25 CO 0.00 0.33 1.21 -0.89 0.00 0.00 0.00 175.10 175.75 3f0g s THR 26 N 1.45 4.26 -0.21 3.92 2.01 -1.26 -1.53 115.64 124.29 3f0g s THR 26 Ca 0.06 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 63.42 3f0g s THR 26 Cb -0.15 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3f0g s THR 26 CO 0.06 -0.54 0.03 -0.63 -0.69 0.00 0.00 174.62 172.84 3f0g s ILE 27 N 4.18 4.15 -0.04 1.82 1.01 0.40 -5.01 121.20 127.71 3f0g s ILE 27 Ca 0.52 -0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.60 3f0g s ILE 27 Cb -0.14 -2.89 -0.11 0.00 0.01 0.00 0.00 42.46 39.33 3f0g s ILE 27 CO 0.22 0.41 1.93 -2.65 0.00 0.00 0.00 174.94 174.84 3f0g n PRO 28 N 4.30 2.47 -3.48 2.79 -0.02 -1.26 -4.27 135.00 135.53 3f0g n PRO 28 Ca -0.17 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 3f0g n PRO 28 Cb 0.52 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 3f0g n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3f0g s TYR 29 N 4.28 -0.55 0.01 6.00 5.04 -1.26 -5.00 117.35 125.87 3f0g s TYR 29 Ca 0.91 0.63 0.32 0.00 -2.44 0.00 0.00 57.07 56.49 3f0g s TYR 29 Cb -0.58 0.50 1.24 0.00 0.35 0.00 0.00 41.96 43.46 3f0g s TYR 29 CO 0.48 -0.69 1.93 0.93 -1.34 0.00 0.00 175.55 176.86 3f0g h GLU 30 N 2.40 0.00 -4.98 4.97 3.07 -1.95 -3.45 114.58 114.65 3f0g h GLU 30 Ca -0.29 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.23 3f0g h GLU 30 Cb 1.23 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.99 3f0g h GLU 30 CO 0.37 0.00 -0.67 1.03 -1.40 0.00 0.00 179.01 178.34 3f0g s ARG 31 N -3.60 1.21 0.33 2.33 0.52 -1.26 -4.53 118.95 113.96 3f0g s ARG 31 Ca 0.02 -1.59 0.06 0.00 -0.52 0.00 0.00 55.73 53.70 3f0g s ARG 31 Cb 0.09 -0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3f0g s ARG 31 CO 0.55 -0.09 0.24 0.20 0.02 0.00 0.00 175.30 176.23 3f0g s GLY 32 N -3.24 2.33 0.07 -3.53 0.00 0.23 -4.10 107.32 99.09 3f0g s GLY 32 Ca 0.25 -1.91 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 3f0g s GLY 32 CO 0.06 -1.53 0.51 1.08 0.00 0.00 0.00 173.10 173.22 3f0g s LEU 33 N -3.40 4.45 -0.35 0.66 1.43 -1.21 0.14 118.68 120.40 3f0g s LEU 33 Ca 0.38 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 3f0g s LEU 33 Cb 0.03 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 3f0g s LEU 33 CO 0.25 0.24 0.23 -0.22 0.23 0.00 0.00 176.35 177.08 3f0g s LEU 34 N -1.38 4.57 0.15 1.79 2.96 -0.80 -4.69 118.68 121.29 3f0g s LEU 34 Ca 0.30 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3f0g s LEU 34 Cb -0.17 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.41 3f0g s LEU 34 CO 0.17 -0.28 0.00 -1.54 -1.32 0.00 0.00 176.35 173.39 3f0g n SER 37 N 5.09 -2.51 0.00 3.68 3.41 -1.26 -4.35 113.62 117.68 3f0g n SER 37 Ca -0.12 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.87 3f0g n SER 37 Cb 0.49 -2.45 0.40 0.00 -0.26 0.00 0.00 64.21 62.39 3f0g n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3f0g n ASP 38 N -4.00 0.00 -1.84 4.04 5.68 -1.26 -4.86 116.55 114.31 3f0g n ASP 38 Ca -0.01 -0.51 -0.18 0.00 -0.50 0.00 0.00 54.79 53.59 3f0g n ASP 38 Cb 0.50 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.95 -0.44 -2.01 2.12 0.00 -1.26 -4.70 120.51 113.26 3f0g n ALA 39 Ca 0.10 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 3f0g n ALA 39 Cb 0.05 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.40 5.11 0.31 0.00 -1.08 -1.26 -4.82 116.67 112.53 3f0g s ASP 40 Ca 0.00 -0.21 0.01 0.00 -0.52 0.00 0.00 52.55 51.83 3f0g s ASP 40 Cb 0.00 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.47 3f0g s ASP 40 CO 0.00 -2.67 1.93 1.62 0.52 0.00 0.00 175.17 176.58 3f0g h VAL 41 N 7.16 1.09 0.08 1.11 3.04 -1.91 -1.96 116.25 124.86 3f0g h VAL 41 Ca -0.05 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.30 3f0g h VAL 41 Cb 1.07 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3f0g h VAL 41 CO 1.20 0.18 -0.04 0.25 -1.01 0.00 0.00 177.57 178.16 3f0g h LEU 42 N 0.99 -0.09 -1.02 3.16 5.85 -1.89 -2.61 115.31 119.70 3f0g h LEU 42 Ca 0.35 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3f0g h LEU 42 Cb 0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3f0g h LEU 42 CO -0.12 0.26 0.32 -0.07 -0.34 0.00 0.00 178.44 178.49 3f0g h LEU 43 N -0.44 0.92 -0.69 2.25 3.38 -1.89 -1.85 115.31 116.99 3f0g h LEU 43 Ca -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3f0g h LEU 43 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3f0g h LEU 43 CO 0.02 0.80 0.27 0.45 0.09 0.00 0.00 178.44 180.06 3f0g h HIS 44 N 1.01 1.06 -0.61 1.13 3.86 -1.38 0.15 115.15 120.37 3f0g h HIS 44 Ca 0.24 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 3f0g h HIS 44 Cb 0.13 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3f0g h HIS 44 CO 0.01 0.82 0.12 0.00 0.86 0.00 0.00 177.93 179.74 3f0g h ALA 45 N 1.12 0.80 -0.45 2.45 0.00 -1.11 0.43 119.26 122.51 3f0g h ALA 45 Ca 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3f0g h ALA 45 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3f0g h ALA 45 CO -0.02 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.68 3f0g h ILE 46 N 0.90 1.24 -0.33 0.00 2.04 -1.17 -1.54 117.51 118.65 3f0g h ILE 46 Ca 0.19 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3f0g h ILE 46 Cb 0.40 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3f0g h ILE 46 CO 0.01 0.31 0.16 0.74 0.00 0.00 0.00 178.15 179.36 3f0g h THR 47 N 0.60 0.98 -0.65 -0.27 2.02 -0.43 -1.32 112.91 113.83 3f0g h THR 47 Ca 0.14 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3f0g h THR 47 Cb 0.36 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3f0g h THR 47 CO 0.01 0.06 0.39 0.44 0.37 0.00 0.00 175.52 176.79 3f0g h ASP 48 N 0.33 0.79 -0.73 4.18 3.32 -0.81 -1.86 116.42 121.64 3f0g h ASP 48 Ca 0.14 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3f0g h ASP 48 Cb 0.06 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3f0g h ASP 48 CO -0.10 0.62 0.44 0.00 -1.72 0.00 0.00 179.24 178.48 3f0g h ALA 49 N 1.20 1.38 -0.16 3.45 0.00 -0.96 0.72 119.26 124.89 3f0g h ALA 49 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3f0g h ALA 49 Cb -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3f0g h ALA 49 CO -0.04 0.53 -0.23 -0.07 0.00 0.00 0.00 179.25 179.44 3f0g h LEU 50 N 1.02 0.48 -0.98 0.00 3.38 -0.94 -1.00 115.31 117.27 3f0g h LEU 50 Ca 0.27 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3f0g h LEU 50 Cb -0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3f0g h LEU 50 CO -0.05 0.90 0.65 -0.26 0.09 0.00 0.00 178.44 179.77 3f0g h PHE 51 N 0.07 1.22 -0.74 1.13 0.04 -1.19 -2.47 116.94 115.00 3f0g h PHE 51 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3f0g h PHE 51 Cb 0.79 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3f0g h PHE 51 CO 0.09 0.75 0.31 0.78 -0.60 0.00 0.00 178.31 179.64 3f0g h GLY 52 N 1.30 1.18 1.63 -1.45 0.00 -0.73 0.43 103.07 105.42 3f0g h GLY 52 Ca 0.37 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3f0g h GLY 52 CO -0.09 0.59 -0.24 0.00 0.00 0.00 0.00 176.54 176.81 3f0g h ALA 53 N 1.15 1.16 -0.04 3.60 0.00 -0.91 -2.53 119.26 121.70 3f0g h ALA 53 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f0g h ALA 53 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3f0g h ALA 53 CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3f0g n ALA 54 N -2.48 2.56 -3.72 0.00 0.00 -0.95 -4.62 120.51 111.29 3f0g n ALA 54 Ca -0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 3f0g n ALA 54 Cb 0.39 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 0.33 -1.74 -0.32 0.00 0.00 -0.52 -4.92 120.51 113.33 3f0g n ALA 55 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.70 3f0g n ALA 55 Cb 0.38 -3.06 0.21 0.00 0.00 0.00 0.00 19.45 16.98 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 -4.44 3.36 0.00 0.00 4.77 0.03 -5.03 117.00 115.68 3f0g n LEU 56 Ca -0.17 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 3f0g n LEU 56 Cb 0.62 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3f0g n LEU 56 CO 0.69 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 3f0g n GLY 57 N 0.69 0.89 3.42 -0.72 0.00 -1.26 -4.96 105.19 103.26 3f0g n GLY 57 Ca 0.16 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 3f0g n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f0g s ASP 58 N -4.00 0.27 0.29 1.61 1.47 -1.26 -4.17 116.67 110.88 3f0g s ASP 58 Ca 0.00 -1.24 -0.00 0.00 1.18 0.00 0.00 52.55 52.49 3f0g s ASP 58 Cb 0.00 0.53 0.42 0.00 -0.34 0.00 0.00 42.92 43.53 3f0g s ASP 58 CO 0.00 -1.06 1.82 -0.29 0.68 0.00 0.00 175.17 176.32 3f0g h ILE 59 N 2.35 1.22 -0.31 2.11 2.10 -1.90 -2.50 117.51 120.58 3f0g h ILE 59 Ca -0.30 -0.85 -0.04 0.00 1.08 0.00 0.00 64.86 64.75 3f0g h ILE 59 Cb 1.25 0.77 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 3f0g h ILE 59 CO 0.42 0.31 0.02 1.23 -1.08 0.00 0.00 178.15 179.05 3f0g h GLY 60 N 0.95 0.49 1.08 8.18 0.00 -1.98 0.16 103.07 111.95 3f0g h GLY 60 Ca 0.16 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 3f0g h GLY 60 CO 0.01 0.25 -0.86 3.21 0.00 0.00 0.00 176.54 179.15 3f0g h ARG 61 N 0.45 0.64 -0.03 4.80 3.08 -1.89 -3.11 114.38 118.31 3f0g h ARG 61 Ca 0.10 -0.65 -0.19 0.00 0.07 0.00 0.00 59.98 59.32 3f0g h ARG 61 Cb 0.26 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.50 3f0g h ARG 61 CO 0.01 1.25 -0.70 0.45 -1.07 0.00 0.00 179.97 179.90 3f0g h HIS 62 N 0.28 0.77 -2.44 3.04 3.86 -1.28 -3.39 115.15 115.99 3f0g h HIS 62 Ca -0.10 -0.40 -0.60 0.00 -1.16 0.00 0.00 60.37 58.12 3f0g h HIS 62 Cb 1.53 -0.10 -0.41 0.00 1.06 0.00 0.00 27.41 29.49 3f0g h HIS 62 CO 0.11 1.21 -0.73 1.19 0.86 0.00 0.00 177.93 180.58 3f0g n PHE 63 N -4.11 2.24 -0.59 2.45 3.72 0.54 -5.06 117.46 116.65 3f0g n PHE 63 Ca -0.10 -3.99 0.00 0.00 -0.05 0.00 0.00 57.45 53.31 3f0g n PHE 63 Cb 0.71 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3f0g n PHE 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3f0g n SER 64 N 1.53 0.00 -2.57 4.37 2.88 -1.18 -4.62 113.62 114.03 3f0g n SER 64 Ca 0.25 -0.30 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 3f0g n SER 64 Cb 0.42 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 3f0g n SER 64 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3f0g n ASP 65 N -0.90 7.19 -3.16 -3.46 8.00 -1.26 -4.92 116.55 118.04 3f0g n ASP 65 Ca 0.00 -3.58 0.03 0.00 0.71 0.00 0.00 54.79 51.95 3f0g n ASP 65 Cb 0.00 -1.09 -0.00 0.00 -0.02 0.00 0.00 41.12 40.00 3f0g n ASP 65 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3f0g s THR 66 N -4.00 -0.98 0.00 -3.53 2.01 -1.26 -5.12 115.64 102.76 3f0g s THR 66 Ca 0.54 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.53 3f0g s THR 66 Cb 0.42 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.93 3f0g s THR 66 CO -0.24 -0.01 0.00 -2.11 -0.69 0.00 0.00 174.62 171.57 3f0g n ARG 69 N 5.42 0.00 -0.81 4.92 -4.01 -1.26 -4.62 116.66 116.30 3f0g n ARG 69 Ca 0.04 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.90 3f0g n ARG 69 Cb 0.53 0.00 0.35 0.00 -3.04 0.00 0.00 32.46 30.31 3f0g n ARG 69 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 3f0g n PHE 70 N 0.00 1.85 -2.22 2.89 3.72 -1.26 -4.95 117.46 117.50 3f0g n PHE 70 Ca 0.00 -0.86 -0.42 0.00 -0.05 0.00 0.00 57.45 56.12 3f0g n PHE 70 Cb 0.00 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 3f0g n PHE 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3f0g s LYS 71 N -2.84 4.33 0.00 -1.08 3.01 -1.26 -2.65 119.74 119.25 3f0g s LYS 71 Ca 0.52 2.01 0.00 0.00 -1.01 0.00 0.00 55.97 57.48 3f0g s LYS 71 Cb 0.40 -3.34 0.00 0.00 -1.01 0.00 0.00 37.83 33.88 3f0g s LYS 71 CO 0.14 -0.44 0.00 0.41 0.51 0.00 0.00 175.35 175.96 3f0g n GLY 72 N 3.49 1.93 3.71 -3.33 0.00 -1.26 -5.02 105.19 104.71 3f0g n GLY 72 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3f0g n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f0g s ALA 73 N -3.13 3.38 0.81 4.61 0.00 -1.08 -5.03 121.76 121.31 3f0g s ALA 73 Ca 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 3f0g s ALA 73 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.76 3f0g s ALA 73 CO 0.00 -0.41 1.12 0.16 0.00 0.00 0.00 175.76 176.63 3f0g s ASP 74 N 0.97 4.45 0.49 0.00 1.47 -1.26 -4.66 116.67 118.14 3f0g s ASP 74 Ca 0.58 1.11 0.28 0.00 1.18 0.00 0.00 52.55 55.70 3f0g s ASP 74 Cb -0.29 -1.78 1.11 0.00 -0.34 0.00 0.00 42.92 41.62 3f0g s ASP 74 CO 0.30 -1.97 1.90 0.28 0.68 0.00 0.00 175.17 176.35 3f0g h SER 75 N -1.09 0.00 -0.46 2.11 0.02 -1.96 -2.32 113.55 109.86 3f0g h SER 75 Ca -0.47 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.36 3f0g h SER 75 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3f0g h SER 75 CO 0.62 0.11 -0.16 0.03 -1.14 0.00 0.00 176.83 176.30 3f0g h ARG 76 N 0.00 0.91 -0.65 3.45 3.08 -1.98 -0.98 114.38 118.21 3f0g h ARG 76 Ca -0.00 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 3f0g h ARG 76 Cb 0.64 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3f0g h ARG 76 CO 0.01 1.03 0.07 0.00 -1.07 0.00 0.00 179.97 180.01 3f0g h ALA 77 N 0.86 0.87 -0.78 0.04 0.00 -1.81 -1.50 119.26 116.95 3f0g h ALA 77 Ca 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3f0g h ALA 77 Cb 0.72 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3f0g h ALA 77 CO 0.05 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.19 3f0g h LEU 78 N 1.02 1.10 -0.33 0.00 3.38 -1.37 -0.87 115.31 118.25 3f0g h LEU 78 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3f0g h LEU 78 Cb 0.48 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3f0g h LEU 78 CO 0.02 0.99 0.15 0.25 0.09 0.00 0.00 178.44 179.94 3f0g h LEU 79 N 1.15 0.43 -0.79 1.67 5.85 -0.99 0.15 115.31 122.77 3f0g h LEU 79 Ca 0.26 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3f0g h LEU 79 Cb 0.25 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3f0g h LEU 79 CO -0.02 0.44 0.51 0.03 -0.34 0.00 0.00 178.44 179.07 3f0g h ARG 80 N 0.39 0.97 -0.61 1.25 3.08 -1.07 0.42 114.38 118.80 3f0g h ARG 80 Ca 0.11 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3f0g h ARG 80 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3f0g h ARG 80 CO -0.01 0.64 0.04 1.49 -1.07 0.00 0.00 179.97 181.06 3f0g h GLU 81 N 1.00 1.03 0.11 0.04 4.57 -0.92 -1.69 114.58 118.72 3f0g h GLU 81 Ca 0.31 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3f0g h GLU 81 Cb -0.01 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3f0g h GLU 81 CO -0.11 0.99 -0.15 0.00 -1.18 0.00 0.00 179.01 178.56 3f0g h ALA 83 N 0.56 1.26 -0.34 0.00 0.00 -0.79 -0.87 119.26 119.08 3f0g h ALA 83 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3f0g h ALA 83 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3f0g h ALA 83 CO -0.07 0.27 0.19 1.03 0.00 0.00 0.00 179.25 180.67 3f0g h SER 84 N 0.98 0.29 -0.16 0.00 0.87 -1.16 -0.25 113.55 114.12 3f0g h SER 84 Ca 0.40 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 3f0g h SER 84 Cb 0.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3f0g h SER 84 CO -0.20 0.21 -0.24 0.03 -0.53 0.00 0.00 176.83 176.11 3f0g h ARG 85 N 0.38 0.61 -0.40 2.24 3.08 -0.84 0.38 114.38 119.84 3f0g h ARG 85 Ca 0.14 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3f0g h ARG 85 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3f0g h ARG 85 CO -0.08 0.80 0.22 0.28 -1.07 0.00 0.00 179.97 180.13 3f0g h VAL 86 N 0.54 1.15 -0.64 2.04 2.07 -0.93 -1.04 116.25 119.43 3f0g h VAL 86 Ca 0.08 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3f0g h VAL 86 Cb 0.70 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3f0g h VAL 86 CO 0.05 0.15 0.21 0.00 0.02 0.00 0.00 177.57 178.00 3f0g h ALA 87 N 1.08 0.84 -0.10 1.67 0.00 -0.65 -2.30 119.26 119.79 3f0g h ALA 87 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3f0g h ALA 87 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3f0g h ALA 87 CO -0.02 0.50 -0.11 1.96 0.00 0.00 0.00 179.25 181.58 3f0g h GLN 88 N 0.92 0.15 0.00 0.00 4.20 -0.78 -0.23 115.11 119.37 3f0g h GLN 88 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3f0g h GLN 88 Cb 0.28 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3f0g h GLN 88 CO -0.01 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 3f0g n ALA 89 N -2.50 1.71 -0.04 3.87 0.00 -0.41 -4.89 120.51 118.25 3f0g n ALA 89 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f0g n ALA 89 Cb 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.10 0.97 3.72 0.00 0.00 -0.10 -5.09 105.19 104.80 3f0g n GLY 90 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.14 -0.11 1.61 0.08 -0.91 -4.49 117.98 115.31 3f0g s PHE 91 Ca 0.00 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 3f0g s PHE 91 Cb 0.00 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3f0g s PHE 91 CO 0.00 0.49 -0.07 0.00 -0.10 0.00 0.00 175.22 175.55 3f0g s ALA 92 N -1.14 2.94 0.00 5.36 0.00 0.62 -3.88 121.76 125.67 3f0g s ALA 92 Ca 0.21 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 3f0g s ALA 92 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3f0g s ALA 92 CO 0.12 0.41 1.12 0.42 0.00 0.00 0.00 175.76 177.83 3f0g s ILE 93 N -0.25 4.37 -0.25 0.00 1.01 -1.26 -0.75 121.20 124.07 3f0g s ILE 93 Ca 0.04 1.70 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 3f0g s ILE 93 Cb -0.13 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.08 3f0g s ILE 93 CO 0.03 0.09 -0.17 0.54 0.00 0.00 0.00 174.94 175.42 3f0g n ARG 94 N 4.33 0.64 -3.50 2.79 5.12 0.89 -4.95 116.66 121.97 3f0g n ARG 94 Ca 0.09 0.21 -0.11 0.00 -1.93 0.00 0.00 57.85 56.11 3f0g n ARG 94 Cb 0.48 -1.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 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 -6.84 -0.45 -0.04 0.55 4.22 -1.14 -4.88 114.94 106.35 3f0g s ASN 95 Ca -0.34 0.19 0.03 0.00 -2.14 0.00 0.00 52.86 50.60 3f0g s ASN 95 Cb 0.10 0.44 0.01 0.00 1.28 0.00 0.00 41.25 43.07 3f0g s ASN 95 CO 0.59 -0.64 -0.12 -0.69 -2.04 0.00 0.00 177.10 174.21 3f0g s VAL 96 N -2.56 1.02 0.17 3.54 1.01 -0.29 -1.54 120.40 121.74 3f0g s VAL 96 Ca 0.00 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3f0g s VAL 96 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3f0g s VAL 96 CO -0.05 0.31 -0.19 -0.62 0.00 0.00 0.00 175.10 174.56 3f0g s ASP 97 N 0.31 2.74 0.17 3.32 2.15 -0.40 -0.95 116.67 124.02 3f0g s ASP 97 Ca -0.07 -0.86 -0.23 0.00 0.43 0.00 0.00 52.55 51.82 3f0g s ASP 97 Cb -0.11 -0.17 0.07 0.00 -0.30 0.00 0.00 42.92 42.41 3f0g s ASP 97 CO 0.02 -0.02 0.62 -0.94 -0.17 0.00 0.00 175.17 174.67 3f0g s SER 98 N -2.66 -0.54 -0.03 -0.34 1.04 -0.84 -1.04 113.70 109.28 3f0g s SER 98 Ca 0.16 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.55 3f0g s SER 98 Cb -0.06 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3f0g s SER 98 CO 0.07 -0.99 -0.04 -0.89 0.98 0.00 0.00 173.24 172.37 3f0g s THR 99 N -3.75 0.44 -0.16 2.02 2.01 -0.22 -0.31 115.64 115.67 3f0g s THR 99 Ca 0.02 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3f0g s THR 99 Cb -0.01 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3f0g s THR 99 CO -0.11 0.18 0.07 -0.63 -0.69 0.00 0.00 174.62 173.44 3f0g s ILE 100 N 0.60 4.87 -0.35 1.82 1.01 0.65 -0.58 121.20 129.23 3f0g s ILE 100 Ca -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 3f0g s ILE 100 Cb -0.11 -3.17 0.05 0.00 0.01 0.00 0.00 42.46 39.25 3f0g s ILE 100 CO -0.00 0.50 0.11 -0.63 0.00 0.00 0.00 174.94 174.91 3f0g s ILE 101 N 0.03 3.58 -0.03 2.92 1.01 0.15 -0.94 121.20 127.91 3f0g s ILE 101 Ca 0.06 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.38 3f0g s ILE 101 Cb -0.12 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.28 3f0g s ILE 101 CO 0.01 -0.25 0.06 0.00 0.00 0.00 0.00 174.94 174.75 3f0g s ALA 102 N 1.34 -0.05 0.25 9.38 0.00 -0.17 -1.82 121.76 130.68 3f0g s ALA 102 Ca -0.01 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3f0g s ALA 102 Cb -0.20 -0.24 0.31 0.00 0.00 0.00 0.00 23.12 22.99 3f0g s ALA 102 CO 0.01 -0.09 1.65 0.37 0.00 0.00 0.00 175.76 177.70 3f0g h GLN 103 N 6.90 0.49 -2.26 0.00 5.75 -1.81 -3.34 115.11 120.84 3f0g h GLN 103 Ca -0.38 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 57.86 3f0g h GLN 103 Cb 1.15 -0.01 -0.17 0.00 1.07 0.00 0.00 27.48 29.52 3f0g h GLN 103 CO 0.47 0.78 0.24 0.00 -2.65 0.00 0.00 178.83 177.67 3f0g s ALA 104 N -4.31 -1.74 1.02 3.38 0.00 -1.26 -4.86 121.76 113.99 3f0g s ALA 104 Ca -0.07 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 3f0g s ALA 104 Cb 0.13 0.21 0.11 0.00 0.00 0.00 0.00 23.12 23.58 3f0g s ALA 104 CO 0.80 -0.49 0.62 -0.35 0.00 0.00 0.00 175.76 176.34 3f0g n PRO 105 N 0.47 -0.84 -2.24 0.00 -0.04 -1.26 -5.07 135.00 126.02 3f0g n PRO 105 Ca -0.17 -0.96 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 3f0g n PRO 105 Cb 0.60 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.35 3f0g n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3f0g s LYS 106 N -4.36 4.38 -0.01 0.54 1.02 -1.26 -4.94 119.74 115.11 3f0g s LYS 106 Ca 0.36 2.00 0.10 0.00 0.02 0.00 0.00 55.97 58.45 3f0g s LYS 106 Cb -0.01 -3.24 -0.14 0.00 -0.52 0.00 0.00 37.83 33.91 3f0g s LYS 106 CO 0.25 -0.31 0.30 1.28 -0.92 0.00 0.00 175.35 175.95 3f0g n LEU 107 N 3.34 0.17 -0.24 3.17 4.77 -1.26 -4.69 117.00 122.26 3f0g n LEU 107 Ca 0.09 -0.18 0.03 0.00 -0.03 0.00 0.00 56.01 55.91 3f0g n LEU 107 Cb 0.43 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 3f0g n LEU 107 CO 0.58 0.04 1.03 0.00 -1.33 0.00 0.00 177.39 177.71 3f0g h ALA 108 N 1.12 0.99 0.00 -1.18 0.00 -1.97 -0.42 119.26 117.79 3f0g h ALA 108 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3f0g h ALA 108 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3f0g h ALA 108 CO 0.00 -0.15 0.00 -2.30 0.00 0.00 0.00 179.25 176.80 3f0g n PRO 109 N -4.95 0.16 0.00 0.00 -0.02 -1.26 -2.38 135.00 126.55 3f0g n PRO 109 Ca 0.12 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 3f0g n PRO 109 Cb 0.34 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3f0g n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3f0g n HIS 110 N -1.27 0.00 0.03 6.00 8.25 -0.19 -4.73 115.22 123.31 3f0g n HIS 110 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 3f0g n HIS 110 Cb 0.08 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 1.15 0.66 -0.66 1.59 1.08 -1.21 -1.80 117.51 118.32 3f0g h ILE 111 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3f0g h ILE 111 Cb 0.30 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 3f0g h ILE 111 CO 0.00 0.00 0.35 0.44 -0.69 0.00 0.00 178.15 178.25 3f0g h ASP 112 N -0.20 0.81 -0.36 1.72 3.32 -1.85 -0.03 116.42 119.84 3f0g h ASP 112 Ca 0.06 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3f0g h ASP 112 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3f0g h ASP 112 CO -0.17 0.66 0.17 0.00 -1.72 0.00 0.00 179.24 178.18 3f0g h ALA 113 N 1.47 0.47 -0.19 3.45 0.00 -1.81 -1.96 119.26 120.68 3f0g h ALA 113 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3f0g h ALA 113 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3f0g h ALA 113 CO -0.04 0.04 0.12 0.52 0.00 0.00 0.00 179.25 179.89 3f0g h MET 114 N 0.44 0.26 -0.59 0.00 2.86 -0.72 -2.26 114.93 114.92 3f0g h MET 114 Ca 0.12 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3f0g h MET 114 Cb 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 3f0g h MET 114 CO -0.01 0.20 0.24 0.00 1.06 0.00 0.00 176.91 178.39 3f0g h ARG 115 N 0.24 0.43 -0.72 1.72 3.08 -0.95 -1.55 114.38 116.63 3f0g h ARG 115 Ca 0.07 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3f0g h ARG 115 Cb 0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3f0g h ARG 115 CO -0.01 0.28 0.24 0.00 -1.07 0.00 0.00 179.97 179.41 3f0g h ALA 116 N 1.38 0.94 0.06 0.04 0.00 -1.17 0.70 119.26 121.21 3f0g h ALA 116 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3f0g h ALA 116 Cb 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3f0g h ALA 116 CO -0.26 0.61 -0.03 -0.91 0.00 0.00 0.00 179.25 178.65 3f0g h ASN 117 N 1.05 -0.06 -0.11 0.00 2.35 -1.07 -1.24 115.58 116.50 3f0g h ASN 117 Ca 0.23 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3f0g h ASN 117 Cb 0.28 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3f0g h ASN 117 CO -0.01 0.05 0.06 0.40 -1.65 0.00 0.00 177.43 176.29 3f0g h ILE 118 N -0.18 1.07 -0.61 2.81 2.04 -1.16 -1.07 117.51 120.41 3f0g h ILE 118 Ca -0.01 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3f0g h ILE 118 Cb 0.15 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3f0g h ILE 118 CO 0.01 0.06 0.32 0.00 0.00 0.00 0.00 178.15 178.54 3f0g h ALA 119 N 0.99 0.81 -0.49 1.87 0.00 -0.86 -0.49 119.26 121.09 3f0g h ALA 119 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3f0g h ALA 119 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3f0g h ALA 119 CO -0.01 -0.02 0.20 0.00 0.00 0.00 0.00 179.25 179.42 3f0g h ALA 120 N 1.34 0.64 0.00 0.00 0.00 -1.05 0.71 119.26 120.90 3f0g h ALA 120 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3f0g h ALA 120 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f0g h ALA 120 CO -0.19 0.24 -0.36 -0.44 0.00 0.00 0.00 179.25 178.50 3f0g h ASP 121 N 0.66 0.00 -0.02 0.00 3.32 -0.73 -2.78 116.42 116.87 3f0g h ASP 121 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3f0g h ASP 121 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3f0g h ASP 121 CO -0.01 0.36 -0.04 0.18 -1.72 0.00 0.00 179.24 178.01 3f0g n LEU 122 N -4.06 2.45 -3.83 1.55 4.77 -0.23 -4.49 117.00 113.15 3f0g n LEU 122 Ca -0.02 -0.82 -0.24 0.00 -0.03 0.00 0.00 56.01 54.91 3f0g n LEU 122 Cb 0.40 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3f0g n LEU 122 CO 0.38 0.41 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.04 3f0g n ASP 123 N 0.87 -0.87 -4.46 -1.43 2.03 -0.13 -4.99 116.55 107.57 3f0g n ASP 123 Ca 0.15 -0.91 -0.30 0.00 0.52 0.00 0.00 54.79 54.25 3f0g n ASP 123 Cb 0.51 -3.55 -0.12 0.00 -0.72 0.00 0.00 41.12 37.24 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 -6.84 2.60 0.65 -2.67 1.43 0.06 -5.04 118.68 108.88 3f0g s LEU 124 Ca 0.03 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 3f0g s LEU 124 Cb -0.02 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3f0g s LEU 124 CO 0.85 0.21 1.27 -2.16 0.23 0.00 0.00 176.35 176.76 3f0g s PRO 125 N -1.82 2.53 0.38 1.29 0.04 -1.26 -4.53 135.00 131.62 3f0g s PRO 125 Ca 0.16 2.00 0.11 0.00 0.04 0.00 0.00 61.00 63.31 3f0g s PRO 125 Cb -0.10 -1.85 0.88 0.00 0.04 0.00 0.00 34.50 33.47 3f0g s PRO 125 CO 0.07 -1.60 1.90 1.25 0.04 0.00 0.00 177.00 178.66 3f0g h LEU 126 N 0.46 0.57 0.00 -3.56 5.85 -1.94 -2.10 115.31 114.60 3f0g h LEU 126 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3f0g h LEU 126 Cb 1.33 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3f0g h LEU 126 CO 0.53 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 178.03 3f0g n ASP 127 N -4.52 0.00 -0.42 1.25 5.68 -1.26 -2.13 116.55 115.14 3f0g n ASP 127 Ca 0.16 -1.14 0.05 0.00 -0.50 0.00 0.00 54.79 53.35 3f0g n ASP 127 Cb 0.46 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.51 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 -0.73 1.29 -5.06 0.11 1.74 -0.79 -4.97 116.66 108.26 3f0g n ARG 128 Ca 0.08 -1.39 -0.30 0.00 -0.77 0.00 0.00 57.85 55.47 3f0g n ARG 128 Cb 0.04 -1.19 -0.17 0.00 -1.02 0.00 0.00 32.46 30.12 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 -0.85 1.82 0.00 1.55 1.01 -0.90 -1.14 120.40 121.88 3f0g s VAL 129 Ca 0.14 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3f0g s VAL 129 Cb 0.08 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3f0g s VAL 129 CO 0.12 0.51 -0.08 0.21 0.00 0.00 0.00 175.10 175.85 3f0g s ASN 130 N 0.39 0.95 -0.06 3.32 2.47 -0.12 -4.99 114.94 116.90 3f0g s ASN 130 Ca -0.17 -0.19 0.01 0.00 0.42 0.00 0.00 52.86 52.93 3f0g s ASN 130 Cb -0.17 -0.09 0.02 0.00 -1.45 0.00 0.00 41.25 39.56 3f0g s ASN 130 CO 0.07 0.07 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.78 3f0g s VAL 131 N -0.31 0.68 0.18 -5.21 1.01 -1.26 -1.99 120.40 113.50 3f0g s VAL 131 Ca 0.02 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 61.93 3f0g s VAL 131 Cb -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3f0g s VAL 131 CO -0.00 0.27 -0.16 -0.54 0.00 0.00 0.00 175.10 174.68 3f0g s LYS 132 N 1.16 1.83 -0.05 2.72 1.02 0.58 -4.97 119.74 122.04 3f0g s LYS 132 Ca -0.07 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 54.60 3f0g s LYS 132 Cb -0.14 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3f0g s LYS 132 CO -0.01 0.42 -0.17 0.00 -0.92 0.00 0.00 175.35 174.67 3f0g s ALA 133 N -1.66 1.55 0.02 5.17 0.00 -1.26 -0.25 121.76 125.32 3f0g s ALA 133 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3f0g s ALA 133 Cb -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3f0g s ALA 133 CO 0.13 0.28 -0.03 0.15 0.00 0.00 0.00 175.76 176.29 3f0g s LYS 134 N 0.05 0.24 0.68 0.00 -0.14 -0.12 -4.95 119.74 115.50 3f0g s LYS 134 Ca -0.04 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.10 3f0g s LYS 134 Cb -0.12 0.02 0.07 0.00 -1.68 0.00 0.00 37.83 36.13 3f0g s LYS 134 CO 0.02 -0.02 0.96 0.95 -0.76 0.00 0.00 175.35 176.50 3f0g s THR 135 N -0.97 2.35 -0.60 2.17 -4.23 -1.25 -1.00 115.64 112.10 3f0g s THR 135 Ca -0.10 -0.43 0.16 0.00 -1.18 0.00 0.00 61.69 60.14 3f0g s THR 135 Cb -0.07 -2.93 0.61 0.00 1.34 0.00 0.00 72.50 71.45 3f0g s THR 135 CO -0.01 0.00 1.52 -3.20 -0.54 0.00 0.00 174.62 172.39 3f0g n ASN 136 N -2.78 4.35 -3.63 3.99 5.15 -1.26 -4.84 115.26 116.23 3f0g n ASN 136 Ca 0.10 -2.66 -0.26 0.00 -0.60 0.00 0.00 54.58 51.15 3f0g n ASN 136 Cb 0.60 -0.53 0.06 0.00 -0.53 0.00 0.00 39.78 39.38 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 0.36 -6.78 -1.24 1.20 -0.58 -1.26 -1.69 120.64 110.65 3f0g n GLU 137 Ca 0.22 0.75 -0.08 0.00 -0.42 0.00 0.00 57.16 57.64 3f0g n GLU 137 Cb 0.87 -5.73 -0.03 0.00 -0.57 0.00 0.00 31.44 25.98 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 -4.78 -1.24 -3.82 3.49 4.76 -1.26 -4.98 118.16 110.32 3f0g n LYS 138 Ca 0.01 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 55.81 3f0g n LYS 138 Cb 0.55 -4.84 -0.08 0.00 -1.84 0.00 0.00 35.03 28.83 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 -1.85 4.21 0.00 -0.35 1.43 -0.68 -4.48 118.68 116.96 3f0g s LEU 139 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3f0g s LEU 139 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3f0g s LEU 139 CO 0.00 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3f0g n GLY 140 N 2.98 -1.58 0.21 -3.19 0.00 -1.26 -1.23 105.19 101.12 3f0g n GLY 140 Ca -0.17 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 0.04 -0.19 1.61 -0.00 -1.96 0.22 116.97 116.68 3f0g h TYR 141 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.67 3f0g h TYR 141 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 36.71 3f0g h TYR 141 CO 0.00 0.30 -0.08 -0.07 -0.00 0.00 0.00 178.16 178.30 3f0g h LEU 142 N 0.04 0.41 -1.38 0.10 3.38 -1.81 0.15 115.31 116.20 3f0g h LEU 142 Ca 0.00 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3f0g h LEU 142 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3f0g h LEU 142 CO 0.03 0.72 -0.28 1.23 0.09 0.00 0.00 178.44 180.23 3f0g h GLY 143 N 0.10 0.00 0.36 0.83 0.00 -0.68 -1.31 103.07 102.37 3f0g h GLY 143 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3f0g h GLY 143 CO 0.03 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.08 3f0g n ARG 144 N -3.80 1.20 -1.67 4.80 1.74 0.02 -4.30 116.66 114.64 3f0g n ARG 144 Ca -0.01 -0.46 -0.07 0.00 -0.77 0.00 0.00 57.85 56.54 3f0g n ARG 144 Cb 0.38 -1.49 -0.02 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 1.14 0.49 0.19 -0.13 0.00 -0.49 -4.93 105.19 101.45 3f0g n GLY 145 Ca 0.20 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.00 -3.01 1.61 5.08 -0.91 -3.44 114.58 113.91 3f0g h GLU 146 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3f0g h GLU 146 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3f0g h GLU 146 CO 0.20 0.24 0.26 0.20 -1.00 0.00 0.00 179.01 178.90 3f0g s GLY 147 N -4.33 0.31 -0.04 -3.84 0.00 -1.23 -0.40 107.32 97.80 3f0g s GLY 147 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.10 3f0g s GLY 147 CO 0.70 -0.29 -0.12 -0.42 0.00 0.00 0.00 173.10 172.97 3f0g s ILE 148 N -2.55 1.03 0.07 0.90 1.01 -0.79 -4.58 121.20 116.29 3f0g s ILE 148 Ca 0.15 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.37 3f0g s ILE 148 Cb -0.05 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3f0g s ILE 148 CO 0.11 0.31 -0.05 -0.70 0.00 0.00 0.00 174.94 174.61 3f0g s GLU 149 N 0.22 2.41 0.01 2.79 2.12 -0.76 -2.38 118.70 123.11 3f0g s GLU 149 Ca -0.05 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.45 3f0g s GLU 149 Cb -0.11 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 3f0g s GLU 149 CO 0.01 0.55 -0.12 0.00 -0.54 0.00 0.00 175.26 175.16 3f0g s ALA 150 N -1.20 0.96 0.06 6.30 0.00 -0.20 0.29 121.76 127.97 3f0g s ALA 150 Ca 0.22 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 51.69 3f0g s ALA 150 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3f0g s ALA 150 CO 0.14 0.21 -0.25 -0.65 0.00 0.00 0.00 175.76 175.21 3f0g s GLN 151 N -0.55 1.58 0.02 0.00 -0.21 0.26 -1.76 119.66 119.00 3f0g s GLN 151 Ca 0.03 -1.10 -0.04 0.00 0.02 0.00 0.00 55.36 54.27 3f0g s GLN 151 Cb -0.05 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 3f0g s GLN 151 CO 0.00 0.46 0.05 0.00 -2.12 0.00 0.00 175.29 173.68 3f0g s ALA 152 N -0.86 -0.03 -0.01 6.09 0.00 -0.31 -1.06 121.76 125.57 3f0g s ALA 152 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3f0g s ALA 152 Cb -0.10 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 3f0g s ALA 152 CO 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 175.76 175.49 3f0g s ALA 153 N -1.89 0.65 -0.01 0.00 0.00 -0.21 -0.47 121.76 119.84 3f0g s ALA 153 Ca -0.11 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3f0g s ALA 153 Cb -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3f0g s ALA 153 CO -0.02 0.13 -0.05 0.00 0.00 0.00 0.00 175.76 175.82 3f0g s ALA 154 N -0.02 0.45 -0.15 0.00 0.00 -0.31 -1.27 121.76 120.46 3f0g s ALA 154 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 3f0g s ALA 154 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3f0g s ALA 154 CO -0.00 0.11 -0.09 -1.17 0.00 0.00 0.00 175.76 174.60 3f0g s LEU 155 N -0.09 2.90 0.37 0.00 2.96 -0.59 -0.90 118.68 123.33 3f0g s LEU 155 Ca 0.02 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3f0g s LEU 155 Cb -0.03 -1.68 -0.07 0.00 0.50 0.00 0.00 46.19 44.91 3f0g s LEU 155 CO -0.00 0.14 0.02 0.68 -1.32 0.00 0.00 176.35 175.87 3f0g s VAL 156 N 0.53 1.68 -0.01 1.68 -7.23 -0.43 -0.08 120.40 116.54 3f0g s VAL 156 Ca -0.06 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3f0g s VAL 156 Cb -0.15 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.92 3f0g s VAL 156 CO 0.03 -0.02 0.02 0.54 -0.31 0.00 0.00 175.10 175.36 3f0g s VAL 157 N -2.95 -0.00 -2.48 1.32 0.11 0.07 -1.64 120.40 114.82 3f0g s VAL 157 Ca 0.35 0.02 0.28 0.00 -2.93 0.00 0.00 61.98 59.70 3f0g s VAL 157 Cb 0.09 -0.03 0.56 0.00 -1.53 0.00 0.00 36.38 35.47 3f0g s VAL 157 CO 0.17 0.01 1.76 -1.14 -3.33 0.00 0.00 175.10 172.57