#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f s SER 2 N 0.00 4.66 0.14 1.61 0.01 -1.26 -5.15 113.70 113.72 1x1f s SER 2 Ca 0.00 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.56 1x1f s SER 2 Cb 0.00 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1x1f s SER 2 CO 0.00 -0.23 -0.10 -0.44 0.41 0.00 0.00 173.24 172.88 1x1f s SER 3 N -3.81 1.72 -0.29 2.44 0.01 -1.26 -5.15 113.70 107.37 1x1f s SER 3 Ca 0.36 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 1x1f s SER 3 Cb -0.03 -0.00 0.12 0.00 0.21 0.00 0.00 66.02 66.32 1x1f s SER 3 CO 0.22 -0.34 0.84 -0.83 0.41 0.00 0.00 173.24 173.54 1x1f s GLY 4 N -3.13 -0.32 0.07 3.44 0.00 -1.26 -5.17 107.32 100.94 1x1f s GLY 4 Ca 0.16 2.80 0.01 0.00 0.00 0.00 0.00 44.72 47.69 1x1f s GLY 4 CO 0.00 2.67 -0.06 -0.45 0.00 0.00 0.00 173.10 175.27 1x1f s SER 5 N 1.77 0.84 -0.01 1.64 0.15 -1.26 -5.16 113.70 111.67 1x1f s SER 5 Ca -0.08 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1x1f s SER 5 Cb -0.05 0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1x1f s SER 5 CO -0.17 -0.42 0.00 -0.55 1.20 0.00 0.00 173.24 173.30 1x1f s SER 6 N -2.52 0.15 0.00 5.45 0.15 -1.26 -5.11 113.70 110.56 1x1f s SER 6 Ca 0.03 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x1f s SER 6 Cb 0.01 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1x1f s SER 6 CO -0.04 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x1f n GLY 7 N 3.46 1.02 3.76 9.45 0.00 -1.26 -5.08 105.19 116.55 1x1f n GLY 7 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1x1f n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x1f s GLN 8 N 1.35 4.22 0.07 1.61 2.00 -1.26 -5.00 119.66 122.65 1x1f s GLN 8 Ca 0.00 0.48 -0.37 0.00 -2.00 0.00 0.00 55.36 53.48 1x1f s GLN 8 Cb 0.00 -3.35 -0.19 0.00 0.80 0.00 0.00 33.01 30.27 1x1f s GLN 8 CO 0.00 0.36 1.57 0.93 -0.50 0.00 0.00 175.29 177.65 1x1f h GLU 9 N 5.91 -1.12 -5.70 1.67 5.08 -2.05 -3.48 114.58 114.89 1x1f h GLU 9 Ca -0.45 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1x1f h GLU 9 Cb 1.19 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1x1f h GLU 9 CO 0.70 -0.75 -0.99 0.54 -1.00 0.00 0.00 179.01 177.52 1x1f n ARG 10 N -5.61 -2.11 -2.94 2.33 1.74 -1.26 -4.89 116.66 103.91 1x1f n ARG 10 Ca -0.14 1.92 -0.41 0.00 -0.77 0.00 0.00 57.85 58.44 1x1f n ARG 10 Cb 0.49 -3.31 -0.05 0.00 -1.02 0.00 0.00 32.46 28.58 1x1f n ARG 10 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x1f s LEU 11 N -1.24 4.14 -0.02 0.55 1.43 -1.26 -5.04 118.68 117.24 1x1f s LEU 11 Ca -0.02 1.06 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1x1f s LEU 11 Cb 0.00 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1x1f s LEU 11 CO 0.42 -0.40 -0.25 -0.54 0.23 0.00 0.00 176.35 175.82 1x1f s LYS 12 N 2.27 2.04 -0.04 1.70 1.02 -1.26 -5.13 119.74 120.33 1x1f s LYS 12 Ca 0.35 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.50 1x1f s LYS 12 Cb -0.16 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1x1f s LYS 12 CO 0.11 0.51 -0.17 0.42 -0.92 0.00 0.00 175.35 175.30 1x1f s ILE 13 N -0.54 1.40 0.16 2.17 1.09 -1.26 -4.98 121.20 119.24 1x1f s ILE 13 Ca 0.08 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1x1f s ILE 13 Cb -0.10 -1.20 0.00 0.00 -1.06 0.00 0.00 42.46 40.10 1x1f s ILE 13 CO -0.01 0.40 0.00 0.41 -0.10 0.00 0.00 174.94 175.65 1x1f n THR 14 N 3.20 0.00 -4.70 2.92 -1.04 -1.26 -5.15 114.28 108.25 1x1f n THR 14 Ca -0.18 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.52 1x1f n THR 14 Cb 0.53 -0.35 -0.07 0.00 -1.82 0.00 0.00 70.33 68.62 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f n ALA 15 N -2.96 0.45 -0.95 2.41 0.00 -1.26 -5.13 120.51 113.07 1x1f n ALA 15 Ca 0.00 -2.20 -0.31 0.00 0.00 0.00 0.00 53.44 50.93 1x1f n ALA 15 Cb 0.00 1.25 0.14 0.00 0.00 0.00 0.00 19.45 20.84 1x1f n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1f s LEU 16 N 0.00 2.68 0.27 0.00 2.01 -1.26 -4.91 118.68 117.47 1x1f s LEU 16 Ca 0.04 1.92 0.25 0.00 0.01 0.00 0.00 54.13 56.35 1x1f s LEU 16 Cb 0.00 -4.38 0.90 0.00 0.01 0.00 0.00 46.19 42.72 1x1f s LEU 16 CO 0.03 -2.76 1.76 1.55 1.01 0.00 0.00 176.35 177.93 1x1f h PRO 17 N -1.63 0.00 -3.09 1.29 0.13 -1.95 -3.49 132.00 123.27 1x1f h PRO 17 Ca -0.46 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.94 1x1f h PRO 17 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1x1f h PRO 17 CO 0.47 0.00 -1.03 -0.11 -0.23 0.00 0.00 178.00 177.10 1x1f n LEU 18 N -2.38 -0.88 0.00 1.56 0.00 -1.26 -4.96 117.00 109.08 1x1f n LEU 18 Ca 0.04 2.00 0.00 0.00 0.00 0.00 0.00 56.01 58.04 1x1f n LEU 18 Cb 0.34 -2.79 0.00 0.00 0.00 0.00 0.00 43.42 40.97 1x1f n LEU 18 CO 0.26 -1.67 0.00 -1.22 0.00 0.00 0.00 177.39 174.76 1x1f n TYR 19 N -4.02 -0.08 -4.07 1.96 4.01 0.27 -4.78 117.16 110.44 1x1f n TYR 19 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 1x1f n TYR 19 Cb 0.55 0.07 -0.09 0.00 -0.31 0.00 0.00 39.34 39.56 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -1.15 0.66 -0.30 -0.72 5.36 -1.19 -5.00 117.98 115.65 1x1f s PHE 20 Ca 0.00 -1.05 -0.02 0.00 -0.96 0.00 0.00 56.93 54.90 1x1f s PHE 20 Cb 0.00 -0.32 0.19 0.00 -0.34 0.00 0.00 43.02 42.55 1x1f s PHE 20 CO 0.00 -0.57 0.63 -1.83 -1.46 0.00 0.00 175.22 171.99 1x1f s GLU 21 N -4.00 0.54 -0.20 10.12 -1.05 -1.26 -1.33 118.70 121.52 1x1f s GLU 21 Ca 0.20 0.95 -0.27 0.00 -0.15 0.00 0.00 54.97 55.70 1x1f s GLU 21 Cb 0.06 0.53 0.09 0.00 -0.44 0.00 0.00 34.13 34.37 1x1f s GLU 21 CO -0.00 -0.59 0.83 0.20 0.95 0.00 0.00 175.26 176.65 1x1f s GLY 22 N 2.87 -0.41 -0.32 -3.83 0.00 0.06 -5.00 107.32 100.69 1x1f s GLY 22 Ca 0.19 2.00 -0.36 0.00 0.00 0.00 0.00 44.72 46.56 1x1f s GLY 22 CO -0.20 1.44 2.12 0.69 0.00 0.00 0.00 173.10 177.15 1x1f n PHE 23 N 1.77 1.72 -4.24 1.90 3.72 -1.26 -2.63 117.46 118.45 1x1f n PHE 23 Ca -0.14 0.27 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 1x1f n PHE 23 Cb 0.56 -2.54 -0.09 0.00 -0.94 0.00 0.00 39.48 36.47 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 6.66 3.08 -0.27 4.37 2.96 0.80 -4.76 118.68 131.53 1x1f s LEU 24 Ca 1.07 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 54.42 1x1f s LEU 24 Cb -0.86 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1x1f s LEU 24 CO 0.51 0.14 0.21 -0.76 -1.32 0.00 0.00 176.35 175.12 1x1f s LEU 25 N -2.52 4.05 -0.20 -0.68 1.43 -0.49 -1.82 118.68 118.45 1x1f s LEU 25 Ca 0.24 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1x1f s LEU 25 Cb -0.10 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1x1f s LEU 25 CO 0.15 -0.03 -0.00 -0.63 0.23 0.00 0.00 176.35 176.06 1x1f s ILE 26 N 1.59 3.88 -0.19 -0.59 -1.09 -1.20 -1.09 121.20 122.51 1x1f s ILE 26 Ca 0.08 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1x1f s ILE 26 Cb -0.15 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.01 1x1f s ILE 26 CO 0.09 0.42 -0.13 -0.75 -1.23 0.00 0.00 174.94 173.34 1x1f s LYS 27 N 1.10 2.29 0.39 2.79 2.20 -0.10 -3.81 119.74 124.59 1x1f s LYS 27 Ca 0.02 -0.85 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1x1f s LYS 27 Cb -0.14 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1x1f s LYS 27 CO 0.01 -0.37 0.16 1.03 -0.36 0.00 0.00 175.35 175.83 1x1f s ARG 28 N 1.36 1.88 -1.08 4.03 0.52 -1.26 -1.96 118.95 122.43 1x1f s ARG 28 Ca 0.00 -2.13 -0.23 0.00 -0.52 0.00 0.00 55.73 52.84 1x1f s ARG 28 Cb -0.15 -0.38 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 1x1f s ARG 28 CO -0.09 -0.52 1.95 -1.12 0.02 0.00 0.00 175.30 175.54 1x1f s SER 29 N -3.55 5.01 0.00 0.23 0.01 -1.26 -2.85 113.70 111.29 1x1f s SER 29 Ca 0.28 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1x1f s SER 29 Cb 0.02 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x1f s SER 29 CO 0.17 -3.03 0.00 0.61 0.41 0.00 0.00 173.24 171.40 1x1f n GLY 30 N 6.18 0.16 0.85 3.44 0.00 -1.26 -5.07 105.19 109.49 1x1f n GLY 30 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 0.00 0.00 0.00 1.61 4.01 -1.13 -5.03 117.16 116.61 1x1f n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x1f n TYR 31 Cb 0.00 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1x1f n ARG 32 N -2.20 0.00 -4.06 -0.72 0.00 -1.26 -4.84 116.66 103.58 1x1f n ARG 32 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1x1f n ARG 32 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.48 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1x1f s GLU 33 N 0.00 0.52 0.06 -0.14 -1.05 -1.26 -5.11 118.70 111.72 1x1f s GLU 33 Ca 0.00 -0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 1x1f s GLU 33 Cb 0.00 -0.23 -0.09 0.00 -0.44 0.00 0.00 34.13 33.38 1x1f s GLU 33 CO 0.00 0.03 1.77 0.71 0.95 0.00 0.00 175.26 178.72 1x1f s TYR 34 N -1.58 2.02 -0.20 4.83 2.02 -1.26 -4.93 117.35 118.25 1x1f s TYR 34 Ca -0.09 0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.54 1x1f s TYR 34 Cb -0.09 -4.08 -0.05 0.00 -0.40 0.00 0.00 41.96 37.34 1x1f s TYR 34 CO -0.00 -4.53 0.12 -1.21 -1.57 0.00 0.00 175.55 168.36 1x1f s GLU 35 N 3.28 4.15 -0.25 -0.62 2.02 -1.25 -4.95 118.70 121.08 1x1f s GLU 35 Ca 0.79 -0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.25 1x1f s GLU 35 Cb -0.41 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1x1f s GLU 35 CO 0.35 0.30 1.20 -1.01 0.02 0.00 0.00 175.26 176.12 1x1f s HIS 36 N 0.35 2.93 -0.01 1.61 3.76 -1.26 -3.22 115.29 119.45 1x1f s HIS 36 Ca 0.07 1.07 0.01 0.00 -0.15 0.00 0.00 55.06 56.06 1x1f s HIS 36 Cb -0.11 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1x1f s HIS 36 CO -0.02 -1.32 -0.03 0.71 -0.85 0.00 0.00 174.74 173.23 1x1f s TYR 37 N 3.79 0.34 -0.69 1.40 2.02 -0.75 -4.98 117.35 118.47 1x1f s TYR 37 Ca 0.52 -0.06 -0.26 0.00 -0.37 0.00 0.00 57.07 56.90 1x1f s TYR 37 Cb -0.17 -0.25 -0.08 0.00 -0.40 0.00 0.00 41.96 41.07 1x1f s TYR 37 CO 0.16 -0.03 2.21 -0.46 -1.57 0.00 0.00 175.55 175.86 1x1f s TRP 38 N 0.08 1.36 0.13 2.71 -0.11 0.50 -0.14 118.94 123.47 1x1f s TRP 38 Ca -0.00 1.36 -0.10 0.00 1.22 0.00 0.00 56.10 58.57 1x1f s TRP 38 Cb -0.03 -3.73 -0.06 0.00 -1.50 0.00 0.00 33.47 28.14 1x1f s TRP 38 CO -0.00 -2.02 0.46 0.99 -4.62 0.00 0.00 176.95 171.75 1x1f s THR 39 N 11.98 5.03 -0.02 5.86 2.01 -1.08 0.17 115.64 139.59 1x1f s THR 39 Ca 0.84 0.46 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1x1f s THR 39 Cb -0.13 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1x1f s THR 39 CO 0.14 0.17 -0.00 -1.61 -0.69 0.00 0.00 174.62 172.62 1x1f s GLU 40 N -2.23 0.19 -0.32 4.92 2.02 0.21 -0.76 118.70 122.74 1x1f s GLU 40 Ca 0.38 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 55.22 1x1f s GLU 40 Cb -0.13 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 1x1f s GLU 40 CO 0.20 -0.08 0.62 -1.17 0.02 0.00 0.00 175.26 174.85 1x1f s LEU 41 N 0.68 4.19 -0.08 1.80 0.20 -0.44 -1.51 118.68 123.51 1x1f s LEU 41 Ca -0.06 0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.09 1x1f s LEU 41 Cb -0.09 -2.78 0.01 0.00 -0.43 0.00 0.00 46.19 42.89 1x1f s LEU 41 CO -0.01 -0.51 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.21 1x1f s ARG 42 N 2.62 2.46 0.00 1.98 0.52 -0.96 -0.57 118.95 125.00 1x1f s ARG 42 Ca 0.24 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1x1f s ARG 42 Cb -0.15 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1x1f s ARG 42 CO 0.13 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1x1f n GLY 43 N 3.63 0.45 0.04 -3.53 0.00 -1.26 0.16 105.19 104.68 1x1f n GLY 43 Ca -0.21 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.33 -4.56 2.61 -2.24 -1.26 -4.85 114.28 104.31 1x1f n THR 44 Ca 0.00 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 1x1f n THR 44 Cb 0.00 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N -0.36 2.64 -0.16 4.28 2.01 0.42 -3.37 115.64 121.11 1x1f s THR 45 Ca 0.01 -0.78 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 1x1f s THR 45 Cb 0.01 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1x1f s THR 45 CO 0.00 0.52 0.73 -0.76 -0.69 0.00 0.00 174.62 174.42 1x1f s LEU 46 N 0.79 4.20 -0.12 4.42 1.43 0.78 -2.28 118.68 127.89 1x1f s LEU 46 Ca -0.06 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1x1f s LEU 46 Cb -0.15 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1x1f s LEU 46 CO 0.00 -0.29 -0.16 -0.36 0.23 0.00 0.00 176.35 175.77 1x1f s PHE 47 N 1.76 2.74 0.00 0.29 0.40 -0.57 0.19 117.98 122.79 1x1f s PHE 47 Ca 0.35 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1x1f s PHE 47 Cb -0.17 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1x1f s PHE 47 CO 0.13 -0.30 -0.06 -0.06 0.70 0.00 0.00 175.22 175.63 1x1f s PHE 48 N 0.40 2.90 0.16 0.36 0.08 0.26 0.68 117.98 122.82 1x1f s PHE 48 Ca -0.12 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1x1f s PHE 48 Cb -0.16 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1x1f s PHE 48 CO 0.06 0.38 0.03 0.71 -0.10 0.00 0.00 175.22 176.30 1x1f s TYR 49 N -1.01 1.07 -0.03 0.36 2.02 0.44 -1.22 117.35 118.98 1x1f s TYR 49 Ca 0.17 -1.13 -0.24 0.00 -0.37 0.00 0.00 57.07 55.50 1x1f s TYR 49 Cb -0.11 -0.60 -0.21 0.00 -0.40 0.00 0.00 41.96 40.63 1x1f s TYR 49 CO 0.08 -0.36 1.13 1.79 -1.57 0.00 0.00 175.55 176.61 1x1f h THR 50 N 2.76 1.49 0.00 -0.71 1.35 -1.93 1.47 112.91 117.33 1x1f h THR 50 Ca -0.36 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1x1f h THR 50 Cb 1.20 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1x1f h THR 50 CO 0.61 0.46 0.00 0.47 -0.25 0.00 0.00 175.52 176.81 1x1f n ASP 51 N -4.59 -0.56 0.02 5.36 8.00 -1.26 -3.90 116.55 119.61 1x1f n ASP 51 Ca -0.09 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1x1f n ASP 51 Cb 0.42 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1x1f n ASP 51 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1x1f n LYS 52 N -2.95 0.00 -0.41 -1.24 2.85 -1.26 -4.63 118.16 110.52 1x1f n LYS 52 Ca 0.00 0.00 0.34 0.00 -1.05 0.00 0.00 58.31 57.60 1x1f n LYS 52 Cb 0.00 0.00 0.62 0.00 -0.65 0.00 0.00 35.03 35.00 1x1f n LYS 52 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1x1f h LYS 53 N 0.00 0.14 -6.21 -1.58 1.79 -2.02 -3.39 116.57 105.30 1x1f h LYS 53 Ca 0.00 -0.01 -0.69 0.00 -2.18 0.00 0.00 60.65 57.77 1x1f h LYS 53 Cb 0.00 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1x1f h LYS 53 CO 0.00 0.09 0.89 0.45 -1.08 0.00 0.00 179.45 179.80 1x1f n SER 54 N -4.70 2.60 -0.08 0.86 2.88 -1.26 -4.87 113.62 109.05 1x1f n SER 54 Ca 0.35 1.06 -0.11 0.00 -1.33 0.00 0.00 58.87 58.83 1x1f n SER 54 Cb 1.31 -1.22 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x1f h ILE 55 N 4.95 0.75 -2.51 2.46 5.03 -2.02 -3.42 117.51 122.75 1x1f h ILE 55 Ca -0.47 -1.71 -0.62 0.00 -0.12 0.00 0.00 64.86 61.94 1x1f h ILE 55 Cb 1.31 1.57 -0.13 0.00 -3.03 0.00 0.00 36.82 36.53 1x1f h ILE 55 CO 0.93 0.26 0.70 -0.63 -0.68 0.00 0.00 178.15 178.72 1x1f s ILE 56 N -2.13 4.24 0.06 -0.67 1.09 -1.26 -4.98 121.20 117.56 1x1f s ILE 56 Ca -0.17 -0.37 -0.31 0.00 -1.10 0.00 0.00 60.65 58.70 1x1f s ILE 56 Cb 0.01 -4.75 -0.17 0.00 -1.06 0.00 0.00 42.46 36.50 1x1f s ILE 56 CO 0.41 -1.55 0.76 0.00 -0.10 0.00 0.00 174.94 174.46 1x1f n TYR 57 N 7.93 0.20 -0.30 3.97 4.11 -1.26 -4.78 117.16 127.03 1x1f n TYR 57 Ca 0.02 0.90 0.07 0.00 -0.00 0.00 0.00 57.90 58.89 1x1f n TYR 57 Cb 0.47 -1.79 0.29 0.00 -0.00 0.00 0.00 39.34 38.30 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1x1f h VAL 58 N 2.00 0.96 -2.10 -3.48 3.04 -1.51 -3.44 116.25 111.71 1x1f h VAL 58 Ca -0.37 -0.31 0.05 0.00 -1.01 0.00 0.00 66.70 65.06 1x1f h VAL 58 Cb 1.26 -0.03 -0.18 0.00 -2.01 0.00 0.00 31.29 30.33 1x1f h VAL 58 CO 0.55 0.17 0.42 -1.81 -1.01 0.00 0.00 177.57 175.88 1x1f s ASP 59 N -5.87 -0.45 0.22 3.17 1.01 -1.18 -5.04 116.67 108.53 1x1f s ASP 59 Ca -0.11 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.42 1x1f s ASP 59 Cb 0.21 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.51 1x1f s ASP 59 CO 0.80 -0.58 0.04 -1.59 0.21 0.00 0.00 175.17 174.05 1x1f s LYS 60 N -2.23 1.27 0.21 8.23 -2.85 -1.26 0.91 119.74 124.02 1x1f s LYS 60 Ca -0.01 -1.65 -0.01 0.00 -1.00 0.00 0.00 55.97 53.31 1x1f s LYS 60 Cb -0.01 -0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.41 1x1f s LYS 60 CO -0.03 -0.19 0.13 -0.51 0.10 0.00 0.00 175.35 174.84 1x1f s LEU 61 N -3.25 1.21 -0.05 2.77 1.43 0.50 -4.95 118.68 116.33 1x1f s LEU 61 Ca 0.30 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1x1f s LEU 61 Cb 0.07 0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.64 1x1f s LEU 61 CO 0.09 -0.83 -0.06 -0.62 0.23 0.00 0.00 176.35 175.16 1x1f s ASP 62 N -3.18 1.21 -0.06 2.29 -1.08 -1.26 -0.16 116.67 114.43 1x1f s ASP 62 Ca 0.39 -0.16 0.18 0.00 -0.52 0.00 0.00 52.55 52.44 1x1f s ASP 62 Cb 0.07 -0.54 0.36 0.00 -1.46 0.00 0.00 42.92 41.36 1x1f s ASP 62 CO 0.12 -0.05 1.16 2.30 0.52 0.00 0.00 175.17 179.22 1x1f n ILE 63 N 4.14 0.71 0.09 4.11 -5.35 -1.22 -4.78 119.36 117.07 1x1f n ILE 63 Ca -0.22 -1.55 -0.05 0.00 -0.27 0.00 0.00 62.75 60.65 1x1f n ILE 63 Cb 0.51 0.52 0.10 0.00 -1.74 0.00 0.00 39.64 39.03 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 4.95 1.42 -0.58 7.28 3.04 -1.84 -2.68 116.25 127.85 1x1f h VAL 64 Ca -0.12 -2.14 0.00 0.00 -1.01 0.00 0.00 66.70 63.42 1x1f h VAL 64 Cb 1.54 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 1x1f h VAL 64 CO 0.05 0.63 0.00 0.47 -1.01 0.00 0.00 177.57 177.71 1x1f n ASP 65 N -3.81 5.46 -4.54 3.17 8.00 -1.26 -4.92 116.55 118.65 1x1f n ASP 65 Ca -0.02 -2.82 -0.55 0.00 0.71 0.00 0.00 54.79 52.10 1x1f n ASP 65 Cb 0.66 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x1f n LEU 66 N 0.70 0.75 0.03 0.64 7.94 -1.01 -4.27 117.00 121.79 1x1f n LEU 66 Ca 0.27 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 56.18 1x1f n LEU 66 Cb 1.12 -1.06 -0.14 0.00 0.53 0.00 0.00 43.42 43.88 1x1f n LEU 66 CO 0.30 -1.54 -0.33 0.74 -1.11 0.00 0.00 177.39 175.45 1x1f h THR 67 N 3.04 1.13 0.00 1.96 2.02 0.17 -3.49 112.91 117.73 1x1f h THR 67 Ca -0.48 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 63.85 1x1f h THR 67 Cb 1.38 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1x1f h THR 67 CO 0.70 0.76 0.00 0.00 0.37 0.00 0.00 175.52 177.35 1x1f s LEU 69 N 0.00 1.45 0.49 0.00 0.20 -1.26 -2.17 118.68 117.38 1x1f s LEU 69 Ca 0.00 -0.24 0.08 0.00 0.69 0.00 0.00 54.13 54.66 1x1f s LEU 69 Cb 0.00 -0.69 0.02 0.00 -0.43 0.00 0.00 46.19 45.09 1x1f s LEU 69 CO 0.00 -0.02 0.50 0.42 -0.29 0.00 0.00 176.35 176.96 1x1f s THR 70 N 0.92 2.32 -0.16 3.68 -4.23 -1.12 -4.95 115.64 112.10 1x1f s THR 70 Ca -0.10 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1x1f s THR 70 Cb -0.15 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1x1f s THR 70 CO 0.01 0.00 -0.04 -1.61 -0.54 0.00 0.00 174.62 172.43 1x1f s GLU 71 N -4.32 1.34 0.09 3.99 2.02 -1.26 -2.80 118.70 117.76 1x1f s GLU 71 Ca 0.48 -0.47 -0.31 0.00 0.02 0.00 0.00 54.97 54.70 1x1f s GLU 71 Cb -0.04 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.18 1x1f s GLU 71 CO 0.29 -0.43 1.35 -0.65 0.02 0.00 0.00 175.26 175.85 1x1f s GLN 72 N 1.67 4.34 0.47 1.61 1.11 0.10 -4.94 119.66 124.02 1x1f s GLN 72 Ca 0.01 2.00 -0.20 0.00 0.01 0.00 0.00 55.36 57.18 1x1f s GLN 72 Cb -0.15 -3.32 -0.13 0.00 -1.01 0.00 0.00 33.01 28.41 1x1f s GLN 72 CO -0.08 -0.42 0.29 -1.71 0.01 0.00 0.00 175.29 173.38 1x1f n ASN 73 N 4.16 -1.99 -3.38 5.90 2.85 -1.26 -4.76 115.26 116.77 1x1f n ASN 73 Ca 0.11 0.79 0.02 0.00 -0.11 0.00 0.00 54.58 55.39 1x1f n ASN 73 Cb 0.43 -1.02 -0.03 0.00 1.24 0.00 0.00 39.78 40.41 1x1f n ASN 73 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1x1f s SER 74 N -1.03 -0.98 0.29 1.20 1.04 -1.26 -5.06 113.70 107.89 1x1f s SER 74 Ca 0.62 1.02 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 1x1f s SER 74 Cb -0.55 1.99 -0.10 0.00 0.10 0.00 0.00 66.02 67.46 1x1f s SER 74 CO 0.60 -0.19 1.16 -0.89 0.98 0.00 0.00 173.24 174.91 1x1f s THR 75 N 2.78 3.29 0.59 2.02 2.01 -1.26 -4.74 115.64 120.32 1x1f s THR 75 Ca 0.03 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1x1f s THR 75 Cb -0.11 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1x1f s THR 75 CO -0.18 0.30 0.00 -0.62 -0.69 0.00 0.00 174.62 173.43 1x1f n GLU 76 N 1.19 -3.26 -1.48 4.92 -0.58 -1.26 -4.44 120.64 115.72 1x1f n GLU 76 Ca -0.00 2.63 -0.44 0.00 -0.42 0.00 0.00 57.16 58.92 1x1f n GLU 76 Cb 0.44 -3.85 -0.08 0.00 -0.57 0.00 0.00 31.44 27.38 1x1f n GLU 76 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1x1f n LYS 77 N -4.34 0.71 -4.42 3.49 4.76 -1.26 -4.89 118.16 112.21 1x1f n LYS 77 Ca -0.08 0.11 -0.22 0.00 -2.87 0.00 0.00 58.31 55.25 1x1f n LYS 77 Cb 0.68 -2.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.35 1x1f n LYS 77 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1x1f s ASN 78 N 9.09 3.21 1.03 4.39 -0.87 -1.26 -5.12 114.94 125.40 1x1f s ASN 78 Ca 1.14 -1.00 -0.16 0.00 -1.57 0.00 0.00 52.86 51.27 1x1f s ASN 78 Cb -0.81 -0.24 0.04 0.00 -0.02 0.00 0.00 41.25 40.22 1x1f s ASN 78 CO 0.44 -0.02 0.03 0.00 -2.57 0.00 0.00 177.10 174.97 1x1f s ALA 80 N -2.27 3.39 -0.18 0.00 0.00 -1.26 -4.99 121.76 116.43 1x1f s ALA 80 Ca 0.54 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1x1f s ALA 80 Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.24 1x1f s ALA 80 CO 0.68 -1.73 -0.18 0.15 0.00 0.00 0.00 175.76 174.68 1x1f s LYS 81 N 4.06 2.84 0.04 0.00 1.02 -1.26 -4.13 119.74 122.30 1x1f s LYS 81 Ca 0.53 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.62 1x1f s LYS 81 Cb -0.15 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1x1f s LYS 81 CO 0.22 -0.25 0.08 -0.59 -0.92 0.00 0.00 175.35 173.89 1x1f s PHE 82 N 1.30 0.24 -0.10 3.18 -0.12 -1.26 -0.72 117.98 120.50 1x1f s PHE 82 Ca 0.04 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 1x1f s PHE 82 Cb -0.14 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1x1f s PHE 82 CO -0.12 -0.38 -0.10 0.99 -0.05 0.00 0.00 175.22 175.57 1x1f s THR 83 N -2.85 3.40 -0.50 -4.49 2.01 -1.12 -2.57 115.64 109.51 1x1f s THR 83 Ca -0.03 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1x1f s THR 83 Cb 0.00 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1x1f s THR 83 CO -0.06 0.55 1.13 -0.76 -0.69 0.00 0.00 174.62 174.79 1x1f s LEU 84 N -0.14 3.64 -0.43 4.42 2.01 0.14 -2.78 118.68 125.54 1x1f s LEU 84 Ca 0.01 0.32 -0.24 0.00 0.01 0.00 0.00 54.13 54.22 1x1f s LEU 84 Cb -0.13 -3.40 0.02 0.00 0.01 0.00 0.00 46.19 42.69 1x1f s LEU 84 CO 0.03 -1.29 0.84 -0.69 1.01 0.00 0.00 176.35 176.24 1x1f s VAL 85 N 4.50 4.61 0.22 -1.59 1.01 -0.92 -1.81 120.40 126.41 1x1f s VAL 85 Ca 0.45 0.66 0.10 0.00 0.00 0.00 0.00 61.98 63.19 1x1f s VAL 85 Cb -0.08 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1x1f s VAL 85 CO 0.30 -0.69 -0.12 -0.76 0.00 0.00 0.00 175.10 173.83 1x1f s LEU 86 N 3.41 2.86 0.00 3.92 1.43 -1.24 0.19 118.68 129.24 1x1f s LEU 86 Ca 0.33 -0.72 0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1x1f s LEU 86 Cb -0.12 -1.49 1.33 0.00 0.03 0.00 0.00 46.19 45.94 1x1f s LEU 86 CO 0.22 0.08 1.72 -0.81 0.23 0.00 0.00 176.35 177.79 1x1f n PRO 87 N -0.21 0.75 0.00 1.29 -0.04 -1.26 -3.66 135.00 131.87 1x1f n PRO 87 Ca -0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1x1f n PRO 87 Cb 0.57 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.96 0.15 -3.59 0.54 5.02 -1.26 -5.10 118.16 112.96 1x1f n LYS 88 Ca 0.17 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.35 1x1f n LYS 88 Cb 0.08 -0.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.23 0.93 0.41 1.97 2.12 -1.24 -5.17 118.70 115.49 1x1f s GLU 89 Ca -0.09 0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.48 1x1f s GLU 89 Cb 0.02 0.44 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 1x1f s GLU 89 CO 0.12 -0.26 0.70 -1.21 -0.54 0.00 0.00 175.26 174.07 1x1f s GLU 90 N -0.96 3.59 -0.01 4.30 2.02 -1.26 -3.64 118.70 122.75 1x1f s GLU 90 Ca -0.10 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 1x1f s GLU 90 Cb -0.02 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 1x1f s GLU 90 CO 0.07 -0.03 0.06 0.08 0.02 0.00 0.00 175.26 175.47 1x1f s VAL 91 N -2.48 0.06 -0.17 2.63 1.01 -0.75 -4.97 120.40 115.73 1x1f s VAL 91 Ca 0.46 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1x1f s VAL 91 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1x1f s VAL 91 CO 0.38 -0.26 0.09 -1.10 0.00 0.00 0.00 175.10 174.21 1x1f s GLN 92 N -0.83 3.88 0.29 2.72 -0.21 -0.83 0.27 119.66 124.96 1x1f s GLN 92 Ca -0.09 -0.28 0.11 0.00 0.02 0.00 0.00 55.36 55.12 1x1f s GLN 92 Cb -0.05 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 1x1f s GLN 92 CO 0.00 0.40 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.90 1x1f s LEU 93 N 0.05 2.67 0.06 2.90 1.02 -1.06 -0.93 118.68 123.39 1x1f s LEU 93 Ca 0.07 -1.04 -0.19 0.00 0.02 0.00 0.00 54.13 52.99 1x1f s LEU 93 Cb -0.12 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 45.01 1x1f s LEU 93 CO 0.00 -0.02 0.44 -0.75 0.02 0.00 0.00 176.35 176.04 1x1f s LYS 94 N -3.55 0.99 0.31 1.70 2.20 -0.25 -4.05 119.74 117.09 1x1f s LYS 94 Ca 0.31 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1x1f s LYS 94 Cb -0.03 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1x1f s LYS 94 CO 0.16 -0.36 0.12 0.95 -0.36 0.00 0.00 175.35 175.86 1x1f s THR 95 N -2.75 0.56 0.00 3.43 -4.23 -1.26 -1.40 115.64 109.99 1x1f s THR 95 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1x1f s THR 95 Cb -0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1x1f s THR 95 CO -0.04 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.42 1x1f n GLU 96 N -0.62 0.00 -2.47 3.99 1.02 -1.26 -4.86 120.64 116.44 1x1f n GLU 96 Ca -0.01 0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 57.08 1x1f n GLU 96 Cb 0.66 -0.65 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 1x1f n GLU 96 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x1f s ASN 97 N -2.05 4.06 -0.07 1.62 3.84 -1.26 -4.80 114.94 116.29 1x1f s ASN 97 Ca 0.00 -0.28 -0.25 0.00 0.21 0.00 0.00 52.86 52.54 1x1f s ASN 97 Cb 0.00 -0.00 -0.25 0.00 -0.55 0.00 0.00 41.25 40.45 1x1f s ASN 97 CO 0.00 -2.06 0.97 0.74 -2.79 0.00 0.00 177.10 173.96 1x1f h THR 98 N -0.76 1.58 -0.45 -5.21 2.02 -1.94 -3.29 112.91 104.87 1x1f h THR 98 Ca -0.37 -2.07 0.05 0.00 0.77 0.00 0.00 66.41 64.79 1x1f h THR 98 Cb 1.26 2.91 -0.08 0.00 -1.74 0.00 0.00 68.15 70.50 1x1f h THR 98 CO 0.39 0.56 -0.49 -0.33 0.37 0.00 0.00 175.52 176.02 1x1f h GLU 99 N -0.57 -0.27 -0.96 6.66 4.39 -2.00 0.19 114.58 122.02 1x1f h GLU 99 Ca -0.04 0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.94 1x1f h GLU 99 Cb 1.07 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 29.60 1x1f h GLU 99 CO 0.05 -0.18 0.01 0.66 -1.16 0.00 0.00 179.01 178.39 1x1f h SER 100 N -0.28 -0.49 -0.28 1.42 4.64 -1.98 0.12 113.55 116.70 1x1f h SER 100 Ca 0.08 0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.70 1x1f h SER 100 Cb 0.49 0.48 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 1x1f h SER 100 CO -0.57 -0.33 -0.44 1.23 -0.87 0.00 0.00 176.83 175.85 1x1f h GLY 101 N 0.02 -1.21 1.13 -0.77 0.00 -0.69 0.29 103.07 101.85 1x1f h GLY 101 Ca 0.57 0.73 0.09 0.00 0.00 0.00 0.00 47.33 48.73 1x1f h GLY 101 CO -0.90 -0.26 0.37 0.83 0.00 0.00 0.00 176.54 176.58 1x1f h GLU 102 N -0.34 0.33 0.71 4.80 3.07 -0.57 0.42 114.58 123.00 1x1f h GLU 102 Ca 0.05 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1x1f h GLU 102 Cb 0.48 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1x1f h GLU 102 CO -0.45 0.22 -0.34 0.93 -1.40 0.00 0.00 179.01 177.98 1x1f h GLU 103 N 0.34 -0.91 0.20 2.33 5.08 0.10 0.25 114.58 121.98 1x1f h GLU 103 Ca 0.25 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1x1f h GLU 103 Cb 0.53 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1x1f h GLU 103 CO -0.06 -0.61 -0.14 -1.49 -1.00 0.00 0.00 179.01 175.71 1x1f h TRP 104 N -0.95 -0.38 -0.11 4.33 4.06 -0.34 0.71 115.95 123.27 1x1f h TRP 104 Ca -0.10 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.86 1x1f h TRP 104 Cb 0.73 0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 1x1f h TRP 104 CO 0.07 -0.20 -0.06 -2.13 -3.56 0.00 0.00 178.44 172.55 1x1f n ARG 105 N -3.12 -0.05 -0.30 0.49 0.63 0.11 0.20 116.66 114.62 1x1f n ARG 105 Ca -0.04 0.91 0.10 0.00 -0.92 0.00 0.00 57.85 57.90 1x1f n ARG 105 Cb 0.14 -1.36 0.23 0.00 0.45 0.00 0.00 32.46 31.92 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 1.10 1.03 5.14 0.00 -0.47 1.10 103.07 110.96 1x1f h GLY 106 Ca 0.02 0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1x1f h GLY 106 CO -0.10 -0.39 0.05 0.74 0.00 0.00 0.00 176.54 176.84 1x1f h PHE 107 N 0.09 1.03 0.64 5.60 0.04 0.26 -2.33 116.94 122.28 1x1f h PHE 107 Ca 0.51 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 61.09 1x1f h PHE 107 Cb 0.99 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 38.87 1x1f h PHE 107 CO -0.43 0.91 -0.31 0.82 -0.60 0.00 0.00 178.31 178.71 1x1f h ILE 108 N 0.85 0.13 -0.77 -0.55 5.03 0.74 -0.83 117.51 122.10 1x1f h ILE 108 Ca 0.17 -0.34 0.22 0.00 -0.12 0.00 0.00 64.86 64.79 1x1f h ILE 108 Cb 0.47 0.18 -0.03 0.00 -3.03 0.00 0.00 36.82 34.40 1x1f h ILE 108 CO 0.02 0.02 0.86 -0.07 -0.68 0.00 0.00 178.15 178.30 1x1f h LEU 109 N -1.16 0.00 0.23 1.44 3.38 0.92 1.45 115.31 121.57 1x1f h LEU 109 Ca -0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 1x1f h LEU 109 Cb 0.69 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 1x1f h LEU 109 CO 0.15 0.00 -1.42 0.74 0.09 0.00 0.00 178.44 177.99 1x1f h THR 110 N 0.00 1.27 -0.55 0.22 2.02 -0.95 0.14 112.91 115.05 1x1f h THR 110 Ca 0.37 -2.65 -0.26 0.00 0.77 0.00 0.00 66.41 64.64 1x1f h THR 110 Cb 2.09 3.03 -0.16 0.00 -1.74 0.00 0.00 68.15 71.37 1x1f h THR 110 CO -0.00 0.80 0.33 1.33 0.37 0.00 0.00 175.52 178.35 1x1f n VAL 111 N -3.77 2.20 0.00 3.16 0.24 0.47 -2.42 118.33 118.22 1x1f n VAL 111 Ca -0.18 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1x1f n VAL 111 Cb 1.06 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.35 0.00 0.53 3.34 -2.24 0.05 -4.68 114.28 110.92 1x1f n THR 112 Ca 0.32 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 1x1f n THR 112 Cb 1.14 -0.23 0.20 0.00 -2.10 0.00 0.00 70.33 69.34 1x1f n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x1f h GLU 113 N 0.00 0.00 -0.93 -0.78 5.08 -0.86 -3.47 114.58 113.63 1x1f h GLU 113 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1x1f h GLU 113 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1x1f h GLU 113 CO 0.00 0.00 -0.22 1.28 -1.00 0.00 0.00 179.01 179.07 1x1f n LEU 114 N -2.24 -1.08 0.00 1.33 7.99 -1.02 -4.96 117.00 117.03 1x1f n LEU 114 Ca 0.03 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 1x1f n LEU 114 Cb 0.45 -1.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.13 1x1f n LEU 114 CO 0.35 -0.31 0.00 -0.24 -1.51 0.00 0.00 177.39 175.68 1x1f n SER 115 N 0.27 0.00 -3.83 -1.43 2.88 -1.23 -5.06 113.62 105.22 1x1f n SER 115 Ca -0.11 -0.04 -0.23 0.00 -1.33 0.00 0.00 58.87 57.16 1x1f n SER 115 Cb 0.45 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.74 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -1.47 0.56 0.40 2.46 1.01 -1.26 -4.09 120.40 118.01 1x1f s VAL 116 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 1x1f s VAL 116 Cb 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 1x1f s VAL 116 CO 0.00 0.27 1.06 -2.16 0.00 0.00 0.00 175.10 174.27 1x1f s PRO 117 N 1.62 4.17 0.00 2.72 0.04 -1.26 -4.95 135.00 137.33 1x1f s PRO 117 Ca 0.00 1.54 0.15 0.00 0.04 0.00 0.00 61.00 62.73 1x1f s PRO 117 Cb -0.13 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1x1f s PRO 117 CO -0.04 -0.14 0.80 1.04 0.04 0.00 0.00 177.00 178.70 1x1f n GLN 118 N -0.03 1.79 -0.99 4.56 6.02 -1.26 -4.46 117.38 123.01 1x1f n GLN 118 Ca 0.05 -0.68 -0.20 0.00 -0.01 0.00 0.00 57.00 56.16 1x1f n GLN 118 Cb 0.49 -1.24 0.03 0.00 1.02 0.00 0.00 30.24 30.54 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x1f n ASN 119 N -0.30 6.61 -4.36 1.08 4.13 -1.26 -4.86 115.26 116.30 1x1f n ASN 119 Ca 0.06 -3.16 -0.33 0.00 1.68 0.00 0.00 54.58 52.83 1x1f n ASN 119 Cb 0.31 -1.07 -0.15 0.00 -1.54 0.00 0.00 39.78 37.34 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -2.57 2.89 -0.95 2.41 -7.23 -1.26 -4.98 120.40 108.70 1x1f s VAL 120 Ca 0.37 -0.73 0.28 0.00 -1.81 0.00 0.00 61.98 60.09 1x1f s VAL 120 Cb 0.28 -2.19 0.24 0.00 0.56 0.00 0.00 36.38 35.27 1x1f s VAL 120 CO -0.02 0.54 1.88 -0.24 -0.31 0.00 0.00 175.10 176.94 1x1f n SER 121 N 3.40 0.16 -4.09 4.85 2.88 -1.26 -4.89 113.62 114.66 1x1f n SER 121 Ca -0.18 0.48 -0.36 0.00 -1.33 0.00 0.00 58.87 57.49 1x1f n SER 121 Cb 0.53 -0.52 0.06 0.00 -0.75 0.00 0.00 64.21 63.53 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -1.63 -4.37 -4.60 2.46 7.94 -1.26 -4.90 117.00 110.63 1x1f n LEU 122 Ca 0.07 0.17 -0.28 0.00 -1.11 0.00 0.00 56.01 54.85 1x1f n LEU 122 Cb 0.36 -0.82 0.21 0.00 0.53 0.00 0.00 43.42 43.69 1x1f n LEU 122 CO 0.28 -5.00 0.59 -0.76 -1.11 0.00 0.00 177.39 171.39 1x1f s LEU 123 N 5.85 1.27 0.00 -1.96 2.01 -1.26 -4.80 118.68 119.79 1x1f s LEU 123 Ca 0.43 1.30 0.22 0.00 0.01 0.00 0.00 54.13 56.10 1x1f s LEU 123 Cb -0.15 -3.37 1.05 0.00 0.01 0.00 0.00 46.19 43.73 1x1f s LEU 123 CO 0.77 -3.58 1.72 -0.81 1.01 0.00 0.00 176.35 175.46 1x1f n PRO 124 N -4.48 0.17 -0.08 1.29 -0.04 -1.26 -2.14 135.00 128.46 1x1f n PRO 124 Ca 0.04 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.69 -0.72 0.14 0.55 0.00 -1.26 -4.28 105.19 100.30 1x1f n GLY 125 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.01 0.37 -1.23 1.61 1.08 -1.89 -3.09 115.11 111.99 1x1f h GLN 126 Ca -0.49 -0.30 0.36 0.00 -1.45 0.00 0.00 58.65 56.77 1x1f h GLN 126 Cb 2.06 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 29.46 1x1f h GLN 126 CO 0.01 0.93 0.83 0.28 -0.95 0.00 0.00 178.83 179.93 1x1f h VAL 127 N -0.10 0.34 -0.72 -0.54 2.07 -1.64 1.21 116.25 116.87 1x1f h VAL 127 Ca -0.02 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1x1f h VAL 127 Cb 0.99 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1x1f h VAL 127 CO 0.07 0.03 0.41 0.40 0.02 0.00 0.00 177.57 178.51 1x1f h ILE 128 N 0.17 0.97 -0.62 4.57 2.04 -1.72 -1.67 117.51 121.25 1x1f h ILE 128 Ca 0.68 -0.26 0.12 0.00 1.00 0.00 0.00 64.86 66.40 1x1f h ILE 128 Cb 2.18 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 38.30 1x1f h ILE 128 CO -0.24 0.14 -0.24 0.11 0.00 0.00 0.00 178.15 177.92 1x1f h LYS 129 N 0.75 -0.08 -0.87 2.37 1.79 0.14 0.75 116.57 121.41 1x1f h LYS 129 Ca 0.33 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.97 1x1f h LYS 129 Cb 0.21 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.78 1x1f h LYS 129 CO -0.19 -0.05 0.45 -0.07 -1.08 0.00 0.00 179.45 178.50 1x1f h LEU 130 N -0.08 0.52 -0.12 2.94 3.38 -1.32 1.55 115.31 122.20 1x1f h LEU 130 Ca 0.28 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1x1f h LEU 130 Cb 0.52 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x1f h LEU 130 CO -0.67 0.19 0.04 0.45 0.09 0.00 0.00 178.44 178.54 1x1f h HIS 131 N 0.60 0.18 0.70 1.13 3.86 0.51 -0.99 115.15 121.15 1x1f h HIS 131 Ca 0.49 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.65 1x1f h HIS 131 Cb 0.75 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.17 1x1f h HIS 131 CO -0.09 0.31 -0.34 0.93 0.86 0.00 0.00 177.93 179.60 1x1f h GLU 132 N 0.01 -0.91 -0.99 2.45 5.08 0.16 -2.52 114.58 117.86 1x1f h GLU 132 Ca 0.04 0.06 0.35 0.00 -1.00 0.00 0.00 59.36 58.81 1x1f h GLU 132 Cb 0.21 0.21 -0.16 0.00 0.50 0.00 0.00 28.75 29.50 1x1f h GLU 132 CO -0.00 -0.61 0.50 0.28 -1.00 0.00 0.00 179.01 178.18 1x1f h VAL 133 N -1.16 0.18 0.15 3.13 2.07 0.21 0.85 116.25 121.67 1x1f h VAL 133 Ca -0.10 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1x1f h VAL 133 Cb 0.72 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1x1f h VAL 133 CO 0.16 0.03 -0.12 0.25 0.02 0.00 0.00 177.57 177.91 1x1f h LEU 134 N 0.18 -0.32 -0.98 2.57 5.85 -0.99 -1.14 115.31 120.48 1x1f h LEU 134 Ca 0.75 0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.81 1x1f h LEU 134 Cb 1.81 0.10 -0.15 0.00 0.37 0.00 0.00 40.66 42.79 1x1f h LEU 134 CO -0.69 -0.17 0.48 1.05 -0.34 0.00 0.00 178.44 178.77 1x1f h GLU 135 N -0.26 0.26 -0.09 1.25 4.11 -0.50 0.62 114.58 119.97 1x1f h GLU 135 Ca -0.02 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.44 1x1f h GLU 135 Cb 0.22 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1x1f h GLU 135 CO -0.00 0.17 -0.19 0.00 0.07 0.00 0.00 179.01 179.06 1x1f h ARG 136 N 0.26 -0.25 -0.06 1.06 -0.00 -0.44 -1.32 114.38 113.63 1x1f h ARG 136 Ca 0.70 0.02 -0.11 0.00 -0.50 0.00 0.00 59.98 60.08 1x1f h ARG 136 Cb 1.59 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.60 1x1f h ARG 136 CO -0.64 -0.17 -0.49 1.05 0.00 0.00 0.00 179.97 179.73 1x1f h GLU 137 N -0.26 0.14 -0.91 0.04 4.11 0.97 -2.91 114.58 115.76 1x1f h GLU 137 Ca 0.09 -0.08 0.17 0.00 0.07 0.00 0.00 59.36 59.61 1x1f h GLU 137 Cb 0.38 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 1x1f h GLU 137 CO -0.24 0.60 0.49 0.87 0.07 0.00 0.00 179.01 180.80 1x1f h LYS 138 N 0.12 0.62 0.73 1.06 1.57 0.11 -0.42 116.57 120.36 1x1f h LYS 138 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1x1f h LYS 138 Cb 0.90 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1x1f h LYS 138 CO 0.07 0.41 -0.37 0.87 -0.57 0.00 0.00 179.45 179.86 1x1f h LYS 139 N 0.64 -0.97 -0.96 3.15 6.56 -1.18 -2.55 116.57 121.26 1x1f h LYS 139 Ca 0.52 0.07 0.31 0.00 -1.06 0.00 0.00 60.65 60.49 1x1f h LYS 139 Cb 0.80 0.22 -0.16 0.00 -0.57 0.00 0.00 32.23 32.52 1x1f h LYS 139 CO -0.39 -0.65 0.36 -0.09 -2.06 0.00 0.00 179.45 176.62 1x1f h ARG 140 N -1.01 0.15 -0.96 3.15 2.43 -1.39 1.29 114.38 118.04 1x1f h ARG 140 Ca -0.10 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1x1f h ARG 140 Cb 0.78 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.21 1x1f h ARG 140 CO 0.15 0.10 0.57 0.00 -1.51 0.00 0.00 179.97 179.28 1x1f h ARG 141 N 0.15 0.81 0.00 0.20 2.47 -0.70 -2.80 114.38 114.51 1x1f h ARG 141 Ca 0.68 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.35 1x1f h ARG 141 Cb 1.56 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1x1f h ARG 141 CO -0.72 0.54 0.00 -0.89 0.56 0.00 0.00 179.97 179.46 1x1f n ILE 142 N -4.72 0.00 -0.35 2.04 5.41 0.44 -2.05 119.36 120.12 1x1f n ILE 142 Ca 0.19 1.06 -0.09 0.00 1.00 0.00 0.00 62.75 64.91 1x1f n ILE 142 Cb 0.42 -1.62 -0.08 0.00 -0.71 0.00 0.00 39.64 37.65 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -1.19 -0.37 -0.93 0.38 1.02 -1.15 -4.91 120.64 113.50 1x1f n GLU 143 Ca 0.00 1.37 0.12 0.00 -0.02 0.00 0.00 57.16 58.63 1x1f n GLU 143 Cb 0.00 -2.02 -0.04 0.00 -0.02 0.00 0.00 31.44 29.35 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f n SER 144 N -4.94 -5.57 -1.01 1.62 2.88 -0.87 -5.08 113.62 100.64 1x1f n SER 144 Ca 0.02 0.65 -0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1x1f n SER 144 Cb 0.22 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.68 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 145 N -3.64 1.17 3.67 0.46 0.00 -1.26 -5.09 105.19 100.50 1x1f n GLY 145 Ca -0.02 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N -2.00 4.28 0.23 1.61 0.04 -1.26 -4.77 135.00 133.12 1x1f s PRO 146 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1x1f s PRO 146 Cb -0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1x1f s PRO 146 CO 0.00 -0.61 0.00 0.45 0.04 0.00 0.00 177.00 176.88 1x1f n SER 147 N 6.05 -0.40 -1.29 6.66 2.88 -1.26 -5.17 113.62 121.09 1x1f n SER 147 Ca 0.13 0.39 0.07 0.00 -1.33 0.00 0.00 58.87 58.13 1x1f n SER 147 Cb 0.45 0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 64.43 1x1f n SER 147 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x1f n SER 148 N -3.22 -6.99 0.00 -3.46 7.64 -1.26 -5.17 113.62 101.16 1x1f n SER 148 Ca 0.00 1.45 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1x1f n SER 148 Cb 0.00 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64