#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f n SER 2 N 0.00 0.00 -3.58 1.61 2.88 -1.26 -5.19 113.62 108.09 1x1f n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1x1f n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1x1f n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x1f s SER 3 N 0.00 -0.19 0.00 -3.46 0.15 -1.26 -5.14 113.70 103.80 1x1f s SER 3 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x1f s SER 3 Cb 0.00 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x1f s SER 3 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1x1f n GLY 4 N -0.05 -0.58 2.62 9.45 0.00 -1.26 -5.12 105.19 110.25 1x1f n GLY 4 Ca -0.02 0.42 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 1x1f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1f n SER 5 N 0.00 -7.57 -3.18 1.61 7.64 -1.26 -5.07 113.62 105.80 1x1f n SER 5 Ca 0.00 1.31 0.05 0.00 1.01 0.00 0.00 58.87 61.24 1x1f n SER 5 Cb 0.00 -5.01 -0.02 0.00 -1.01 0.00 0.00 64.21 58.17 1x1f n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x1f s SER 6 N -1.53 -0.61 0.00 6.43 0.01 -1.26 -5.11 113.70 111.62 1x1f s SER 6 Ca 0.01 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1x1f s SER 6 Cb -0.00 1.53 0.00 0.00 0.21 0.00 0.00 66.02 67.76 1x1f s SER 6 CO 0.72 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.87 1x1f n GLY 7 N 5.41 0.90 3.39 3.44 0.00 -1.26 -5.08 105.19 111.99 1x1f n GLY 7 Ca -0.06 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1x1f n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x1f n GLN 8 N 0.00 -1.85 -2.50 1.61 6.02 -1.26 -4.83 117.38 114.56 1x1f n GLN 8 Ca 0.00 1.41 -0.43 0.00 -0.01 0.00 0.00 57.00 57.97 1x1f n GLN 8 Cb 0.00 -3.30 -0.02 0.00 1.02 0.00 0.00 30.24 27.94 1x1f n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x1f s GLU 9 N -3.19 3.89 0.11 -1.09 8.01 -1.26 -4.92 118.70 120.25 1x1f s GLU 9 Ca 0.21 1.05 -0.28 0.00 0.01 0.00 0.00 54.97 55.96 1x1f s GLU 9 Cb -0.03 -3.86 -0.09 0.00 -4.31 0.00 0.00 34.13 25.84 1x1f s GLU 9 CO 0.85 -1.16 1.62 0.00 0.01 0.00 0.00 175.26 176.58 1x1f h ARG 10 N 9.11 -0.51 -4.27 1.61 2.47 -2.07 -3.48 114.38 117.23 1x1f h ARG 10 Ca -0.24 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1x1f h ARG 10 Cb 1.08 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1x1f h ARG 10 CO 1.06 -0.34 -0.97 -0.11 0.56 0.00 0.00 179.97 180.17 1x1f n LEU 11 N -5.41 -5.41 -4.90 3.04 7.94 -1.26 -5.00 117.00 105.99 1x1f n LEU 11 Ca -0.07 2.03 -0.28 0.00 -1.11 0.00 0.00 56.01 56.58 1x1f n LEU 11 Cb 0.32 -2.75 0.04 0.00 0.53 0.00 0.00 43.42 41.56 1x1f n LEU 11 CO 0.24 -2.63 0.64 -1.59 -1.11 0.00 0.00 177.39 172.94 1x1f s LYS 12 N -0.86 2.78 -0.24 1.96 -2.85 -1.26 -5.05 119.74 114.21 1x1f s LYS 12 Ca -0.10 0.17 -0.09 0.00 -1.00 0.00 0.00 55.97 54.94 1x1f s LYS 12 Cb 0.01 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.59 1x1f s LYS 12 CO 0.26 -0.93 0.13 0.42 0.10 0.00 0.00 175.35 175.34 1x1f s ILE 13 N -3.19 5.05 -0.73 3.79 1.09 -1.26 -5.03 121.20 120.91 1x1f s ILE 13 Ca 0.57 0.07 0.03 0.00 -1.10 0.00 0.00 60.65 60.22 1x1f s ILE 13 Cb -0.11 -3.36 0.18 0.00 -1.06 0.00 0.00 42.46 38.11 1x1f s ILE 13 CO 0.48 0.34 0.54 -0.89 -0.10 0.00 0.00 174.94 175.30 1x1f s THR 14 N 1.24 3.25 0.00 2.92 2.01 -1.26 -5.04 115.64 118.76 1x1f s THR 14 Ca 0.06 -4.04 -0.01 0.00 0.31 0.00 0.00 61.69 58.02 1x1f s THR 14 Cb -0.14 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1x1f s THR 14 CO 0.05 -1.00 0.00 0.00 -0.69 0.00 0.00 174.62 172.99 1x1f s ALA 15 N -1.26 0.01 0.29 7.40 0.00 -1.26 -5.12 121.76 121.81 1x1f s ALA 15 Ca 0.24 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 1x1f s ALA 15 Cb -0.08 0.04 -0.15 0.00 0.00 0.00 0.00 23.12 22.93 1x1f s ALA 15 CO -0.13 -0.06 0.58 1.28 0.00 0.00 0.00 175.76 177.42 1x1f n LEU 16 N 2.52 -0.51 -4.63 0.00 4.77 -1.26 -4.81 117.00 113.08 1x1f n LEU 16 Ca -0.16 1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 56.44 1x1f n LEU 16 Cb 0.58 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1x1f n LEU 16 CO 0.24 -2.75 1.16 -2.16 -1.33 0.00 0.00 177.39 172.54 1x1f s PRO 17 N -1.25 3.93 0.29 3.23 0.04 -1.26 -4.89 135.00 135.10 1x1f s PRO 17 Ca 0.62 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1x1f s PRO 17 Cb -0.77 -3.89 -0.12 0.00 0.04 0.00 0.00 34.50 29.76 1x1f s PRO 17 CO 0.58 -1.10 1.59 -0.11 0.04 0.00 0.00 177.00 178.00 1x1f n LEU 18 N 7.63 4.33 -0.01 -3.56 -0.00 -1.26 -3.79 117.00 120.34 1x1f n LEU 18 Ca 0.15 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.31 1x1f n LEU 18 Cb 0.46 -1.59 -0.04 0.00 -0.00 0.00 0.00 43.42 42.25 1x1f n LEU 18 CO 0.63 0.14 -0.60 -1.22 -0.00 0.00 0.00 177.39 176.33 1x1f n TYR 19 N 2.13 0.00 -3.64 1.96 4.01 0.67 -5.00 117.16 117.29 1x1f n TYR 19 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.79 1x1f n TYR 19 Cb 0.37 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 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 -2.26 -0.12 -0.15 -0.72 5.36 -1.18 -4.97 117.98 113.94 1x1f s PHE 20 Ca -0.02 0.25 -0.06 0.00 -0.96 0.00 0.00 56.93 56.13 1x1f s PHE 20 Cb 0.03 0.47 0.07 0.00 -0.34 0.00 0.00 43.02 43.25 1x1f s PHE 20 CO 0.21 -0.08 0.33 -1.83 -1.46 0.00 0.00 175.22 172.39 1x1f s GLU 21 N -0.48 0.24 -0.29 10.12 -1.05 -1.26 0.17 118.70 126.16 1x1f s GLU 21 Ca 0.07 0.80 -0.22 0.00 -0.15 0.00 0.00 54.97 55.46 1x1f s GLU 21 Cb -0.03 0.05 0.14 0.00 -0.44 0.00 0.00 34.13 33.86 1x1f s GLU 21 CO -0.10 -0.24 1.09 0.20 0.95 0.00 0.00 175.26 177.17 1x1f s GLY 22 N 2.11 0.02 -0.90 -3.83 0.00 -0.93 -5.03 107.32 98.75 1x1f s GLY 22 Ca -0.03 3.02 -0.29 0.00 0.00 0.00 0.00 44.72 47.41 1x1f s GLY 22 CO -0.10 2.13 2.63 0.69 0.00 0.00 0.00 173.10 178.44 1x1f n PHE 23 N 2.61 0.72 -4.12 1.90 3.72 -1.26 -3.91 117.46 117.11 1x1f n PHE 23 Ca -0.14 0.31 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1x1f n PHE 23 Cb 0.57 -2.37 -0.07 0.00 -0.94 0.00 0.00 39.48 36.66 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 9.42 3.67 -0.20 4.37 2.96 -1.02 -4.87 118.68 133.01 1x1f s LEU 24 Ca 1.28 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 1x1f s LEU 24 Cb -1.02 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 1x1f s LEU 24 CO 0.44 0.21 0.30 -0.76 -1.32 0.00 0.00 176.35 175.22 1x1f s LEU 25 N -2.11 4.18 -0.09 -0.68 1.43 -1.05 -2.62 118.68 117.73 1x1f s LEU 25 Ca 0.26 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1x1f s LEU 25 Cb -0.12 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1x1f s LEU 25 CO 0.18 0.03 -0.14 -0.63 0.23 0.00 0.00 176.35 176.01 1x1f s ILE 26 N 0.92 3.00 -0.43 -0.59 -1.09 -1.02 -2.25 121.20 119.74 1x1f s ILE 26 Ca 0.15 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1x1f s ILE 26 Cb -0.14 -2.21 0.27 0.00 -1.58 0.00 0.00 42.46 38.80 1x1f s ILE 26 CO 0.05 0.56 0.60 1.17 -1.23 0.00 0.00 174.94 176.09 1x1f n LYS 27 N 2.93 1.10 0.00 2.79 4.81 -0.70 -2.44 118.16 126.66 1x1f n LYS 27 Ca -0.18 -3.52 0.00 0.00 -0.87 0.00 0.00 58.31 53.75 1x1f n LYS 27 Cb 0.52 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N 1.11 0.00 0.13 1.64 1.74 -1.26 -3.51 116.66 116.52 1x1f n ARG 28 Ca 0.23 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1x1f n ARG 28 Cb 0.53 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 1x1f n ARG 28 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x1f n SER 29 N -0.89 -2.41 0.11 0.55 2.88 -1.26 -4.23 113.62 108.36 1x1f n SER 29 Ca 0.00 0.53 0.11 0.00 -1.33 0.00 0.00 58.87 58.19 1x1f n SER 29 Cb 0.00 2.44 0.46 0.00 -0.75 0.00 0.00 64.21 66.37 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 30 N -1.47 -1.28 3.55 0.46 0.00 -1.26 -4.74 105.19 100.45 1x1f n GLY 30 Ca 0.00 0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.14 1.88 0.19 1.61 4.02 -1.26 -4.78 117.16 116.67 1x1f n TYR 31 Ca 0.03 0.07 0.18 0.00 -0.01 0.00 0.00 57.90 58.17 1x1f n TYR 31 Cb 0.24 -2.63 0.81 0.00 -0.02 0.00 0.00 39.34 37.73 1x1f n TYR 31 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1x1f h ARG 32 N 12.76 0.00 -1.09 -0.72 9.65 -1.98 -3.43 114.38 129.57 1x1f h ARG 32 Ca -0.36 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 58.74 1x1f h ARG 32 Cb 1.28 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 29.58 1x1f h ARG 32 CO 0.98 0.00 0.91 -1.83 2.80 0.00 0.00 179.97 182.84 1x1f s GLU 33 N -4.49 0.10 -0.26 0.20 -1.05 -1.26 -5.12 118.70 106.81 1x1f s GLU 33 Ca -0.04 0.04 -0.39 0.00 -0.15 0.00 0.00 54.97 54.43 1x1f s GLU 33 Cb 0.14 0.05 -0.17 0.00 -0.44 0.00 0.00 34.13 33.70 1x1f s GLU 33 CO 0.48 -0.03 1.22 0.66 0.95 0.00 0.00 175.26 178.54 1x1f n TYR 34 N 0.73 1.15 -4.04 4.83 4.01 -1.26 -4.90 117.16 117.67 1x1f n TYR 34 Ca -0.03 0.97 -0.36 0.00 -0.16 0.00 0.00 57.90 58.33 1x1f n TYR 34 Cb 0.58 -1.90 -0.08 0.00 -0.31 0.00 0.00 39.34 37.64 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N 1.59 3.40 -0.68 -0.72 0.41 -1.02 -4.90 118.70 116.79 1x1f s GLU 35 Ca 0.87 -0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.96 1x1f s GLU 35 Cb -1.23 -3.08 0.08 0.00 -1.78 0.00 0.00 34.13 28.11 1x1f s GLU 35 CO 0.63 0.67 0.97 -1.01 -0.49 0.00 0.00 175.26 176.03 1x1f s HIS 36 N -0.73 2.72 -0.03 1.61 3.76 -1.26 -2.42 115.29 118.94 1x1f s HIS 36 Ca 0.13 -0.63 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 1x1f s HIS 36 Cb -0.12 -4.29 -0.02 0.00 1.11 0.00 0.00 32.58 29.27 1x1f s HIS 36 CO 0.03 -1.63 -0.23 0.71 -0.85 0.00 0.00 174.74 172.76 1x1f s TYR 37 N 3.92 2.15 -0.92 1.40 2.02 -1.08 -4.99 117.35 119.85 1x1f s TYR 37 Ca 0.23 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.21 1x1f s TYR 37 Cb -0.16 -1.39 -0.10 0.00 -0.40 0.00 0.00 41.96 39.91 1x1f s TYR 37 CO 0.08 -0.08 2.11 -0.46 -1.57 0.00 0.00 175.55 175.64 1x1f s TRP 38 N -0.44 1.55 0.14 2.71 -0.11 0.35 -2.44 118.94 120.70 1x1f s TRP 38 Ca 0.06 1.21 -0.27 0.00 1.22 0.00 0.00 56.10 58.32 1x1f s TRP 38 Cb -0.10 -3.77 -0.07 0.00 -1.50 0.00 0.00 33.47 28.02 1x1f s TRP 38 CO 0.00 -1.52 0.84 0.99 -4.62 0.00 0.00 176.95 172.65 1x1f s THR 39 N 12.39 4.43 -0.06 5.86 2.01 -1.25 -0.37 115.64 138.65 1x1f s THR 39 Ca 0.78 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.64 1x1f s THR 39 Cb -0.08 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1x1f s THR 39 CO 0.06 0.44 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.69 1x1f s GLU 40 N -0.64 1.62 -0.31 4.92 2.02 0.20 -2.20 118.70 124.32 1x1f s GLU 40 Ca 0.40 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.78 1x1f s GLU 40 Cb -0.23 -1.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.63 1x1f s GLU 40 CO 0.27 0.04 0.61 -1.17 0.02 0.00 0.00 175.26 175.03 1x1f s LEU 41 N 0.60 4.16 -0.03 1.80 0.20 0.46 -1.72 118.68 124.15 1x1f s LEU 41 Ca -0.13 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.05 1x1f s LEU 41 Cb -0.15 -2.77 0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1x1f s LEU 41 CO 0.03 -0.47 0.06 -0.13 -0.29 0.00 0.00 176.35 175.55 1x1f s ARG 42 N 2.57 -0.02 2.17 1.98 0.52 -1.24 -0.24 118.95 124.69 1x1f s ARG 42 Ca 0.24 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 1x1f s ARG 42 Cb -0.15 -0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.05 1x1f s ARG 42 CO 0.12 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1x1f n GLY 43 N 4.35 0.33 0.52 -3.53 0.00 -1.25 -0.84 105.19 104.77 1x1f n GLY 43 Ca -0.24 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -4.02 2.61 -2.24 -1.26 -4.85 114.28 104.51 1x1f n THR 44 Ca 0.00 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 1x1f n THR 44 Cb 0.00 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.00 1.59 -0.31 4.28 2.01 -0.02 -3.05 115.64 120.14 1x1f s THR 45 Ca 0.00 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 1x1f s THR 45 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1x1f s THR 45 CO -0.00 0.44 1.44 -0.76 -0.69 0.00 0.00 174.62 175.05 1x1f s LEU 46 N 1.48 3.79 -0.25 4.42 1.43 -0.43 -3.68 118.68 125.44 1x1f s LEU 46 Ca 0.05 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.28 1x1f s LEU 46 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.11 -1.25 0.15 -0.36 0.23 0.00 0.00 176.35 175.01 1x1f s PHE 47 N 4.99 3.22 -0.06 0.29 0.08 -0.70 0.51 117.98 126.31 1x1f s PHE 47 Ca 0.63 0.03 -0.04 0.00 0.12 0.00 0.00 56.93 57.68 1x1f s PHE 47 Cb -0.18 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1x1f s PHE 47 CO 0.28 -0.11 0.11 -0.06 -0.10 0.00 0.00 175.22 175.33 1x1f s PHE 48 N 1.41 3.43 0.06 0.36 0.08 0.21 0.62 117.98 124.15 1x1f s PHE 48 Ca 0.07 0.36 -0.00 0.00 0.12 0.00 0.00 56.93 57.47 1x1f s PHE 48 Cb -0.15 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1x1f s PHE 48 CO 0.07 0.63 -0.04 0.71 -0.10 0.00 0.00 175.22 176.49 1x1f s TYR 49 N -1.10 0.59 -0.00 0.36 2.02 0.51 -1.15 117.35 118.58 1x1f s TYR 49 Ca 0.19 -0.98 0.08 0.00 -0.37 0.00 0.00 57.07 55.99 1x1f s TYR 49 Cb -0.12 -0.41 -0.23 0.00 -0.40 0.00 0.00 41.96 40.80 1x1f s TYR 49 CO 0.09 -0.30 0.82 1.79 -1.57 0.00 0.00 175.55 176.38 1x1f h THR 50 N 3.25 1.09 -2.55 -0.71 1.35 -1.88 1.01 112.91 114.47 1x1f h THR 50 Ca -0.34 -2.87 0.14 0.00 -0.55 0.00 0.00 66.41 62.79 1x1f h THR 50 Cb 1.15 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 70.08 1x1f h THR 50 CO 0.63 0.68 0.40 -1.81 -0.25 0.00 0.00 175.52 175.18 1x1f s ASP 51 N -6.43 -0.20 0.14 5.36 1.11 -1.26 -4.63 116.67 110.76 1x1f s ASP 51 Ca -0.05 -0.48 -0.16 0.00 0.18 0.00 0.00 52.55 52.04 1x1f s ASP 51 Cb 0.08 0.57 -0.00 0.00 1.07 0.00 0.00 42.92 44.64 1x1f s ASP 51 CO 0.82 -1.05 1.69 0.11 1.18 0.00 0.00 175.17 177.93 1x1f h LYS 52 N 2.00 0.60 -0.39 8.23 1.57 -1.97 -2.77 116.57 123.84 1x1f h LYS 52 Ca -0.22 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1x1f h LYS 52 Cb 1.24 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 1x1f h LYS 52 CO 0.25 0.55 -0.16 0.87 -0.57 0.00 0.00 179.45 180.39 1x1f h LYS 53 N 0.51 -0.08 -6.11 3.15 6.56 -2.02 -3.41 116.57 115.18 1x1f h LYS 53 Ca 0.14 0.01 -0.77 0.00 -1.06 0.00 0.00 60.65 58.96 1x1f h LYS 53 Cb 0.17 0.02 0.03 0.00 -0.57 0.00 0.00 32.23 31.88 1x1f h LYS 53 CO -0.01 -0.05 0.55 0.43 -2.06 0.00 0.00 179.45 178.31 1x1f n SER 54 N -5.35 1.38 -0.10 0.86 7.64 -1.05 -4.86 113.62 112.14 1x1f n SER 54 Ca 0.02 1.13 -0.21 0.00 1.01 0.00 0.00 58.87 60.83 1x1f n SER 54 Cb 0.26 -1.04 -0.12 0.00 -1.01 0.00 0.00 64.21 62.30 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1x1f h ILE 55 N 4.20 1.02 -3.61 0.44 1.08 -1.86 -3.46 117.51 115.32 1x1f h ILE 55 Ca -0.47 -2.19 -0.51 0.00 -0.39 0.00 0.00 64.86 61.30 1x1f h ILE 55 Cb 1.36 2.35 -0.03 0.00 -3.07 0.00 0.00 36.82 37.44 1x1f h ILE 55 CO 0.85 0.35 0.24 -0.63 -0.69 0.00 0.00 178.15 178.26 1x1f s ILE 56 N -2.34 4.28 -0.06 -0.67 1.09 -1.26 -5.02 121.20 117.22 1x1f s ILE 56 Ca -0.27 1.80 -0.30 0.00 -1.10 0.00 0.00 60.65 60.78 1x1f s ILE 56 Cb 0.05 -4.17 -0.02 0.00 -1.06 0.00 0.00 42.46 37.25 1x1f s ILE 56 CO 0.60 0.48 1.06 -0.72 -0.10 0.00 0.00 174.94 176.26 1x1f s TYR 57 N -1.21 3.45 0.26 3.97 -0.85 -1.26 -4.82 117.35 116.89 1x1f s TYR 57 Ca 0.39 1.50 -0.02 0.00 -0.52 0.00 0.00 57.07 58.41 1x1f s TYR 57 Cb -0.23 -3.25 0.50 0.00 0.38 0.00 0.00 41.96 39.36 1x1f s TYR 57 CO 0.27 -0.53 1.75 -0.24 -1.52 0.00 0.00 175.55 175.29 1x1f h VAL 58 N 4.99 0.71 -2.91 -3.49 3.04 -1.48 -3.44 116.25 113.66 1x1f h VAL 58 Ca -0.34 -0.19 -0.05 0.00 -1.01 0.00 0.00 66.70 65.11 1x1f h VAL 58 Cb 1.17 0.09 -0.15 0.00 -2.01 0.00 0.00 31.29 30.40 1x1f h VAL 58 CO 0.84 0.10 0.07 -1.81 -1.01 0.00 0.00 177.57 175.77 1x1f s ASP 59 N -5.40 -0.45 0.10 3.17 1.01 -1.19 -5.04 116.67 108.87 1x1f s ASP 59 Ca -0.12 0.06 -0.00 0.00 0.71 0.00 0.00 52.55 53.20 1x1f s ASP 59 Cb 0.21 0.52 -0.04 0.00 1.01 0.00 0.00 42.92 44.62 1x1f s ASP 59 CO 0.77 -0.81 0.00 -1.59 0.21 0.00 0.00 175.17 173.76 1x1f s LYS 60 N -3.00 0.81 0.29 8.23 -2.85 -1.26 0.65 119.74 122.62 1x1f s LYS 60 Ca -0.02 -1.35 0.04 0.00 -1.00 0.00 0.00 55.97 53.64 1x1f s LYS 60 Cb -0.00 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1x1f s LYS 60 CO -0.06 -0.16 0.25 -0.51 0.10 0.00 0.00 175.35 174.97 1x1f s LEU 61 N -3.01 1.51 -0.04 2.77 1.43 0.18 -4.97 118.68 116.55 1x1f s LEU 61 Ca 0.16 -1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 51.62 1x1f s LEU 61 Cb 0.07 0.56 0.03 0.00 0.03 0.00 0.00 46.19 46.89 1x1f s LEU 61 CO -0.03 -1.01 0.07 -0.62 0.23 0.00 0.00 176.35 174.99 1x1f s ASP 62 N -3.30 0.33 -0.14 2.29 -1.08 -1.26 -1.31 116.67 112.20 1x1f s ASP 62 Ca 0.39 0.14 0.16 0.00 -0.52 0.00 0.00 52.55 52.72 1x1f s ASP 62 Cb 0.04 0.01 0.42 0.00 -1.46 0.00 0.00 42.92 41.93 1x1f s ASP 62 CO 0.22 -0.17 1.20 2.30 0.52 0.00 0.00 175.17 179.24 1x1f n ILE 63 N 4.55 1.46 0.10 4.11 -5.35 -1.17 -4.73 119.36 118.32 1x1f n ILE 63 Ca -0.20 -2.51 -0.05 0.00 -0.27 0.00 0.00 62.75 59.72 1x1f n ILE 63 Cb 0.50 0.17 0.10 0.00 -1.74 0.00 0.00 39.64 38.68 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 3.08 1.43 -0.45 7.28 3.04 -1.84 -2.59 116.25 126.20 1x1f h VAL 64 Ca -0.07 -2.17 0.00 0.00 -1.01 0.00 0.00 66.70 63.45 1x1f h VAL 64 Cb 1.31 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 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 -3.80 4.31 -4.47 3.17 9.92 -1.26 -4.92 116.55 119.49 1x1f n ASP 65 Ca -0.02 -2.59 -0.56 0.00 -0.53 0.00 0.00 54.79 51.09 1x1f n ASP 65 Cb 0.66 -0.60 -0.06 0.00 -0.64 0.00 0.00 41.12 40.48 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1x1f n LEU 66 N 0.56 -0.34 -0.01 0.64 7.94 -0.98 -4.19 117.00 120.63 1x1f n LEU 66 Ca 0.20 1.15 -0.05 0.00 -1.11 0.00 0.00 56.01 56.21 1x1f n LEU 66 Cb 0.89 -0.94 -0.12 0.00 0.53 0.00 0.00 43.42 43.78 1x1f n LEU 66 CO 0.23 -2.21 -0.49 0.41 -1.11 0.00 0.00 177.39 174.21 1x1f n THR 67 N 1.06 1.39 -0.26 1.96 -1.04 0.49 -4.95 114.28 112.93 1x1f n THR 67 Ca 0.19 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1x1f n THR 67 Cb 0.13 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1x1f n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x1f s LEU 69 N 0.00 1.01 0.00 0.00 0.20 -1.26 -1.13 118.68 117.49 1x1f s LEU 69 Ca 0.00 0.39 0.00 0.00 0.69 0.00 0.00 54.13 55.21 1x1f s LEU 69 Cb 0.00 0.60 0.00 0.00 -0.43 0.00 0.00 46.19 46.36 1x1f s LEU 69 CO 0.00 -0.10 0.00 1.07 -0.29 0.00 0.00 176.35 177.03 1x1f n THR 70 N 3.47 0.00 -4.57 3.68 5.66 -1.23 -4.98 114.28 116.30 1x1f n THR 70 Ca -0.18 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 1x1f n THR 70 Cb 0.56 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.18 1x1f n THR 70 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1x1f s GLU 71 N 0.43 1.41 -0.23 1.09 2.02 -1.26 -2.99 118.70 119.17 1x1f s GLU 71 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 1x1f s GLU 71 Cb 0.00 -1.24 -0.05 0.00 0.10 0.00 0.00 34.13 32.94 1x1f s GLU 71 CO 0.00 0.12 0.19 -0.65 0.02 0.00 0.00 175.26 174.95 1x1f s GLN 72 N 0.30 4.09 0.34 1.61 1.11 -1.03 -4.94 119.66 121.13 1x1f s GLN 72 Ca -0.07 -0.20 -0.27 0.00 0.01 0.00 0.00 55.36 54.83 1x1f s GLN 72 Cb -0.12 -3.54 -0.09 0.00 -1.01 0.00 0.00 33.01 28.25 1x1f s GLN 72 CO 0.02 0.05 1.12 -0.80 0.01 0.00 0.00 175.29 175.69 1x1f s ASN 73 N 1.05 6.93 0.00 5.90 -0.87 -1.26 -4.71 114.94 121.98 1x1f s ASN 73 Ca 0.09 2.28 0.00 0.00 -1.57 0.00 0.00 52.86 53.66 1x1f s ASN 73 Cb -0.14 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 1x1f s ASN 73 CO 0.05 -0.38 0.00 -0.24 -2.57 0.00 0.00 177.10 173.96 1x1f n SER 74 N 0.61 0.00 -4.23 -1.22 2.88 -1.26 -5.12 113.62 105.28 1x1f n SER 74 Ca 0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.23 1x1f n SER 74 Cb 0.46 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.76 1x1f n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x1f s THR 75 N 0.00 2.31 1.07 2.46 2.01 -1.26 -5.12 115.64 117.11 1x1f s THR 75 Ca 0.00 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 1x1f s THR 75 Cb 0.00 -1.93 0.10 0.00 0.01 0.00 0.00 72.50 70.69 1x1f s THR 75 CO 0.00 0.54 -0.03 -1.84 -0.69 0.00 0.00 174.62 172.60 1x1f n GLU 76 N 3.81 -1.75 -1.52 4.92 0.00 -1.26 -4.70 120.64 120.15 1x1f n GLU 76 Ca -0.19 -0.51 -0.57 0.00 0.00 0.00 0.00 57.16 55.89 1x1f n GLU 76 Cb 0.52 -1.55 -0.07 0.00 0.00 0.00 0.00 31.44 30.34 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1x1f n LYS 77 N -1.55 0.28 0.00 3.44 3.00 -1.26 -4.45 118.16 117.62 1x1f n LYS 77 Ca 0.02 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1x1f n LYS 77 Cb 0.54 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1x1f n LYS 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x1f n ASN 78 N 1.75 0.00 -4.14 3.14 2.85 -1.26 -5.15 115.26 112.45 1x1f n ASN 78 Ca 0.20 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.56 1x1f n ASN 78 Cb 0.11 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.04 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x1f s ALA 80 N -4.11 3.52 -0.14 0.00 0.00 -1.26 -4.74 121.76 115.03 1x1f s ALA 80 Ca 0.33 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1x1f s ALA 80 Cb 0.06 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.51 1x1f s ALA 80 CO 0.09 -0.22 -0.01 0.15 0.00 0.00 0.00 175.76 175.77 1x1f s LYS 81 N 1.13 0.90 0.05 0.00 1.02 -1.26 -3.50 119.74 118.08 1x1f s LYS 81 Ca 0.24 -0.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.95 1x1f s LYS 81 Cb -0.15 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1x1f s LYS 81 CO 0.09 -0.46 -0.04 -0.59 -0.92 0.00 0.00 175.35 173.44 1x1f s PHE 82 N 1.82 0.50 -0.20 3.18 -0.12 -1.24 -2.47 117.98 119.45 1x1f s PHE 82 Ca 0.02 -0.90 -0.02 0.00 -0.05 0.00 0.00 56.93 55.97 1x1f s PHE 82 Cb -0.15 -0.35 -0.00 0.00 -0.63 0.00 0.00 43.02 41.89 1x1f s PHE 82 CO -0.07 -0.30 -0.09 0.99 -0.05 0.00 0.00 175.22 175.70 1x1f s THR 83 N -3.19 2.99 -0.50 -4.49 2.01 -1.16 -2.21 115.64 109.08 1x1f s THR 83 Ca 0.01 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 1x1f s THR 83 Cb 0.03 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1x1f s THR 83 CO -0.07 0.46 1.65 -0.76 -0.69 0.00 0.00 174.62 175.21 1x1f s LEU 84 N 1.36 3.41 -0.27 4.42 2.01 0.17 -3.57 118.68 126.21 1x1f s LEU 84 Ca 0.05 0.62 -0.29 0.00 0.01 0.00 0.00 54.13 54.51 1x1f s LEU 84 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 46.19 43.02 1x1f s LEU 84 CO -0.05 -1.89 1.08 -0.69 1.01 0.00 0.00 176.35 175.80 1x1f s VAL 85 N 7.15 4.56 0.23 -1.59 1.01 -0.29 -1.64 120.40 129.84 1x1f s VAL 85 Ca 0.65 1.84 0.11 0.00 0.00 0.00 0.00 61.98 64.58 1x1f s VAL 85 Cb -0.15 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1x1f s VAL 85 CO 0.27 -0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.07 1x1f s LEU 86 N 3.47 2.52 0.00 3.92 1.43 -1.24 0.19 118.68 128.97 1x1f s LEU 86 Ca 0.46 -0.96 0.22 0.00 -1.03 0.00 0.00 54.13 52.82 1x1f s LEU 86 Cb -0.14 -1.05 1.33 0.00 0.03 0.00 0.00 46.19 46.36 1x1f s LEU 86 CO 0.11 0.04 1.72 -0.81 0.23 0.00 0.00 176.35 177.65 1x1f n PRO 87 N -0.22 0.75 0.01 1.29 -0.04 -1.26 -3.69 135.00 131.84 1x1f n PRO 87 Ca -0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1x1f n PRO 87 Cb 0.58 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.14 -3.60 0.54 4.76 -1.26 -5.10 118.16 112.67 1x1f n LYS 88 Ca 0.17 0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.50 1x1f n LYS 88 Cb 0.08 -0.74 -0.07 0.00 -1.84 0.00 0.00 35.03 32.46 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1x1f s GLU 89 N -2.22 0.91 0.20 1.97 2.12 -1.24 -5.16 118.70 115.28 1x1f s GLU 89 Ca -0.08 0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.26 1x1f s GLU 89 Cb 0.01 0.43 -0.08 0.00 0.26 0.00 0.00 34.13 34.75 1x1f s GLU 89 CO 0.11 -0.26 0.67 -1.21 -0.54 0.00 0.00 175.26 174.02 1x1f s GLU 90 N -1.09 4.14 0.00 4.30 8.01 -1.26 -3.59 118.70 129.21 1x1f s GLU 90 Ca -0.11 0.73 0.06 0.00 0.01 0.00 0.00 54.97 55.66 1x1f s GLU 90 Cb -0.02 -2.87 -0.02 0.00 -4.31 0.00 0.00 34.13 26.92 1x1f s GLU 90 CO 0.07 0.41 -0.19 0.08 0.01 0.00 0.00 175.26 175.64 1x1f s VAL 91 N -1.53 1.53 -0.14 2.63 1.01 -0.65 -4.88 120.40 118.37 1x1f s VAL 91 Ca 0.42 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1x1f s VAL 91 Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1x1f s VAL 91 CO 0.20 0.36 0.10 -1.10 0.00 0.00 0.00 175.10 174.66 1x1f s GLN 92 N -0.65 3.58 0.12 2.72 -0.21 -1.23 0.46 119.66 124.45 1x1f s GLN 92 Ca 0.07 -0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.29 1x1f s GLN 92 Cb -0.08 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1x1f s GLN 92 CO -0.00 0.59 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.07 1x1f s LEU 93 N -0.52 2.35 -0.09 2.90 1.02 -0.94 -1.72 118.68 121.68 1x1f s LEU 93 Ca 0.11 -0.74 -0.11 0.00 0.02 0.00 0.00 54.13 53.41 1x1f s LEU 93 Cb -0.12 -0.78 0.03 0.00 0.02 0.00 0.00 46.19 45.34 1x1f s LEU 93 CO 0.02 -0.01 0.30 -0.75 0.02 0.00 0.00 176.35 175.93 1x1f s LYS 94 N -2.22 0.43 0.35 1.70 2.20 -0.96 -3.63 119.74 117.61 1x1f s LYS 94 Ca 0.08 0.25 0.09 0.00 -0.36 0.00 0.00 55.97 56.03 1x1f s LYS 94 Cb -0.08 0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.38 1x1f s LYS 94 CO 0.04 -0.08 -0.06 0.95 -0.36 0.00 0.00 175.35 175.85 1x1f s THR 95 N -0.24 2.33 -0.07 3.43 -4.23 -1.23 -2.53 115.64 113.11 1x1f s THR 95 Ca -0.04 -2.13 -0.26 0.00 -1.18 0.00 0.00 61.69 58.08 1x1f s THR 95 Cb -0.03 -2.71 -0.22 0.00 1.34 0.00 0.00 72.50 70.88 1x1f s THR 95 CO 0.01 -0.19 1.05 -0.33 -0.54 0.00 0.00 174.62 174.63 1x1f h GLU 96 N 1.94 -0.02 -5.68 3.99 5.08 -1.93 -3.44 114.58 114.52 1x1f h GLU 96 Ca -0.42 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.33 1x1f h GLU 96 Cb 1.25 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.19 1x1f h GLU 96 CO 0.70 0.64 -0.86 -0.80 -1.00 0.00 0.00 179.01 177.69 1x1f s ASN 97 N -5.85 2.51 0.29 1.42 0.01 -1.26 -4.82 114.94 107.24 1x1f s ASN 97 Ca -0.17 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.62 1x1f s ASN 97 Cb -0.00 -0.61 0.78 0.00 0.41 0.00 0.00 41.25 41.83 1x1f s ASN 97 CO 0.66 0.20 1.45 1.07 -1.51 0.00 0.00 177.10 178.97 1x1f n THR 98 N 2.96 -0.39 -0.05 1.60 5.66 -1.05 -0.50 114.28 122.51 1x1f n THR 98 Ca -0.17 2.01 -0.05 0.00 -3.05 0.00 0.00 64.05 62.79 1x1f n THR 98 Cb 0.53 -2.98 -0.04 0.00 -1.55 0.00 0.00 70.33 66.29 1x1f n THR 98 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1x1f h GLU 99 N 0.00 -0.13 -0.97 1.09 4.39 -1.95 0.07 114.58 117.07 1x1f h GLU 99 Ca 0.59 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.53 1x1f h GLU 99 Cb 1.28 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.78 1x1f h GLU 99 CO -0.85 -0.09 -0.10 1.03 -1.16 0.00 0.00 179.01 177.84 1x1f h SER 100 N -0.14 -0.67 -0.49 1.42 0.87 -1.21 0.19 113.55 113.51 1x1f h SER 100 Ca 0.03 0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.93 1x1f h SER 100 Cb 0.21 0.53 -0.09 0.00 -0.44 0.00 0.00 62.40 62.61 1x1f h SER 100 CO -0.22 -0.33 -0.54 1.23 -0.53 0.00 0.00 176.83 176.45 1x1f h GLY 101 N 0.01 -0.89 -0.26 5.77 0.00 -0.71 0.30 103.07 107.30 1x1f h GLY 101 Ca 0.53 0.70 0.25 0.00 0.00 0.00 0.00 47.33 48.80 1x1f h GLY 101 CO -0.94 -0.11 0.49 0.83 0.00 0.00 0.00 176.54 176.80 1x1f h GLU 102 N -0.33 0.43 0.30 4.80 3.07 -0.07 0.31 114.58 123.08 1x1f h GLU 102 Ca 0.10 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1x1f h GLU 102 Cb 0.57 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1x1f h GLU 102 CO -0.65 0.28 -0.21 0.93 -1.40 0.00 0.00 179.01 177.97 1x1f h GLU 103 N 0.44 -0.47 0.06 2.33 5.08 -0.08 0.33 114.58 122.27 1x1f h GLU 103 Ca 0.62 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 59.02 1x1f h GLU 103 Cb 1.24 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1x1f h GLU 103 CO -0.53 -0.31 -0.26 -1.49 -1.00 0.00 0.00 179.01 175.41 1x1f h TRP 104 N -0.49 -0.76 -0.32 4.33 4.06 -0.35 0.40 115.95 122.82 1x1f h TRP 104 Ca -0.04 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.96 1x1f h TRP 104 Cb 0.40 0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.84 1x1f h TRP 104 CO -0.03 -0.30 -0.19 -2.13 -3.56 0.00 0.00 178.44 172.24 1x1f n ARG 105 N -3.94 -0.14 -0.19 0.49 0.63 0.99 0.14 116.66 114.64 1x1f n ARG 105 Ca -0.04 1.03 -0.02 0.00 -0.92 0.00 0.00 57.85 57.90 1x1f n ARG 105 Cb 0.20 -1.53 0.05 0.00 0.45 0.00 0.00 32.46 31.63 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 0.37 0.76 5.14 0.00 -0.06 0.40 103.07 109.67 1x1f h GLY 106 Ca 0.05 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1x1f h GLY 106 CO -0.30 -0.22 0.57 0.74 0.00 0.00 0.00 176.54 177.33 1x1f h PHE 107 N -0.02 1.07 0.77 5.60 0.04 0.39 -1.38 116.94 123.41 1x1f h PHE 107 Ca 0.27 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1x1f h PHE 107 Cb 0.44 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1x1f h PHE 107 CO -0.49 0.56 -0.37 0.82 -0.60 0.00 0.00 178.31 178.23 1x1f h ILE 108 N 1.06 0.00 -0.96 -0.55 5.03 0.40 -0.51 117.51 121.98 1x1f h ILE 108 Ca 0.39 -0.24 0.28 0.00 -0.12 0.00 0.00 64.86 65.16 1x1f h ILE 108 Cb 0.14 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.89 1x1f h ILE 108 CO -0.16 0.00 0.94 -0.07 -0.68 0.00 0.00 178.15 178.18 1x1f h LEU 109 N -1.28 0.00 0.23 1.44 3.38 -0.12 1.59 115.31 120.56 1x1f h LEU 109 Ca -0.11 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.55 1x1f h LEU 109 Cb 0.79 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.58 1x1f h LEU 109 CO 0.17 0.00 -1.37 0.74 0.09 0.00 0.00 178.44 178.07 1x1f h THR 110 N 0.00 1.32 -0.57 0.22 2.02 -0.74 0.47 112.91 115.62 1x1f h THR 110 Ca 0.45 -2.66 -0.28 0.00 0.77 0.00 0.00 66.41 64.69 1x1f h THR 110 Cb 2.33 3.05 -0.17 0.00 -1.74 0.00 0.00 68.15 71.62 1x1f h THR 110 CO -0.00 0.79 0.36 1.33 0.37 0.00 0.00 175.52 178.36 1x1f n VAL 111 N -3.79 2.24 0.00 3.16 0.24 0.52 -2.53 118.33 118.19 1x1f n VAL 111 Ca -0.16 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1x1f n VAL 111 Cb 1.06 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.40 0.00 0.82 3.34 -2.24 0.00 -4.69 114.28 111.11 1x1f n THR 112 Ca 0.34 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1x1f n THR 112 Cb 1.16 -0.16 0.32 0.00 -2.10 0.00 0.00 70.33 69.55 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.02 0.12 -2.00 -0.78 1.02 0.16 -4.89 120.64 112.26 1x1f n GLU 113 Ca 0.00 0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 1x1f n GLU 113 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -1.78 -1.54 0.00 -4.62 7.99 -1.05 -4.93 117.00 111.07 1x1f n LEU 114 Ca 0.05 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1x1f n LEU 114 Cb 0.38 -2.39 0.00 0.00 -0.11 0.00 0.00 43.42 41.30 1x1f n LEU 114 CO 0.33 -0.43 0.00 -0.24 -1.51 0.00 0.00 177.39 175.55 1x1f n SER 115 N -0.94 0.00 -3.87 -1.43 2.88 -1.24 -5.04 113.62 103.97 1x1f n SER 115 Ca -0.18 -0.23 -0.24 0.00 -1.33 0.00 0.00 58.87 56.89 1x1f n SER 115 Cb 0.61 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.62 0.72 -0.20 2.46 1.01 -1.26 -4.06 120.40 117.44 1x1f s VAL 116 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1x1f s VAL 116 Cb 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1x1f s VAL 116 CO 0.00 0.30 1.30 -2.16 0.00 0.00 0.00 175.10 174.54 1x1f s PRO 117 N 1.54 4.13 -0.25 2.72 0.04 -1.26 -4.89 135.00 137.02 1x1f s PRO 117 Ca -0.00 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1x1f s PRO 117 Cb -0.13 -3.81 0.35 0.00 0.04 0.00 0.00 34.50 30.95 1x1f s PRO 117 CO -0.04 -0.84 1.54 1.04 0.04 0.00 0.00 177.00 178.74 1x1f n GLN 118 N 6.85 1.70 -2.67 4.56 1.13 -1.26 -4.11 117.38 123.57 1x1f n GLN 118 Ca 0.14 -1.64 -0.15 0.00 -1.94 0.00 0.00 57.00 53.41 1x1f n GLN 118 Cb 0.45 -1.64 0.02 0.00 0.11 0.00 0.00 30.24 29.17 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -0.35 2.29 -4.26 1.08 3.02 -1.26 -5.07 115.26 110.71 1x1f n ASN 119 Ca 0.33 -3.01 -0.30 0.00 -0.03 0.00 0.00 54.58 51.57 1x1f n ASN 119 Cb 1.10 -0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 39.59 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1x1f s VAL 120 N -3.70 1.89 -1.02 2.41 -7.23 -1.26 -4.99 120.40 106.50 1x1f s VAL 120 Ca 0.34 -1.00 0.14 0.00 -1.81 0.00 0.00 61.98 59.65 1x1f s VAL 120 Cb 0.43 -1.58 0.12 0.00 0.56 0.00 0.00 36.38 35.91 1x1f s VAL 120 CO -0.03 0.53 1.46 -0.24 -0.31 0.00 0.00 175.10 176.51 1x1f n SER 121 N 2.70 0.00 -3.43 4.85 2.88 -1.26 -4.78 113.62 114.58 1x1f n SER 121 Ca -0.16 0.48 -0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1x1f n SER 121 Cb 0.52 -0.49 0.15 0.00 -0.75 0.00 0.00 64.21 63.64 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N -1.49 0.00 0.00 2.46 4.32 -1.26 -5.03 117.00 116.00 1x1f n LEU 122 Ca 0.04 -0.45 -0.15 0.00 -0.02 0.00 0.00 56.01 55.42 1x1f n LEU 122 Cb 0.17 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 1x1f n LEU 122 CO 0.13 -2.40 0.05 0.18 -1.22 0.00 0.00 177.39 174.14 1x1f n LEU 123 N 0.00 0.00 0.25 2.23 4.77 -1.26 -4.93 117.00 118.06 1x1f n LEU 123 Ca 0.07 -1.67 0.15 0.00 -0.03 0.00 0.00 56.01 54.53 1x1f n LEU 123 Cb 0.31 -0.04 0.43 0.00 -2.33 0.00 0.00 43.42 41.79 1x1f n LEU 123 CO 0.20 -0.46 0.90 1.55 -1.33 0.00 0.00 177.39 178.25 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 0.59 132.00 133.96 1x1f h PRO 124 Ca -0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1x1f h PRO 124 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1x1f h PRO 124 CO 0.31 0.00 -0.59 0.78 -0.23 0.00 0.00 178.00 178.27 1x1f h GLY 125 N 3.01 0.00 0.22 1.56 0.00 -2.01 -3.18 103.07 102.67 1x1f h GLY 125 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1x1f h GLY 125 CO 0.00 0.00 -2.10 -1.06 0.00 0.00 0.00 176.54 173.38 1x1f n GLN 126 N -3.04 0.66 -0.26 4.80 1.13 -1.10 -4.29 117.38 115.28 1x1f n GLN 126 Ca 0.00 0.29 0.05 0.00 -1.94 0.00 0.00 57.00 55.40 1x1f n GLN 126 Cb 0.66 -1.62 0.18 0.00 0.11 0.00 0.00 30.24 29.57 1x1f n GLN 126 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x1f h VAL 127 N -0.32 0.71 -0.92 5.09 2.07 -1.02 -0.44 116.25 121.42 1x1f h VAL 127 Ca -0.50 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 67.02 1x1f h VAL 127 Cb 1.79 0.15 -0.17 0.00 -1.52 0.00 0.00 31.29 31.55 1x1f h VAL 127 CO -0.10 0.09 -0.26 0.40 0.02 0.00 0.00 177.57 177.72 1x1f h ILE 128 N 0.51 0.07 -0.65 4.57 2.04 -1.73 0.55 117.51 122.87 1x1f h ILE 128 Ca 0.41 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.37 1x1f h ILE 128 Cb 0.58 0.07 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 1x1f h ILE 128 CO -0.36 0.00 -0.39 0.11 0.00 0.00 0.00 178.15 177.50 1x1f h LYS 129 N -0.01 -0.16 -0.74 2.37 1.79 -1.28 0.70 116.57 119.24 1x1f h LYS 129 Ca 0.42 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 59.06 1x1f h LYS 129 Cb 0.65 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 31.22 1x1f h LYS 129 CO -0.94 -0.11 0.12 -0.07 -1.08 0.00 0.00 179.45 177.37 1x1f h LEU 130 N -0.17 -0.11 -0.33 2.94 3.38 0.04 1.68 115.31 122.74 1x1f h LEU 130 Ca 0.22 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1x1f h LEU 130 Cb 0.56 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1x1f h LEU 130 CO -0.73 -0.09 0.17 0.45 0.09 0.00 0.00 178.44 178.33 1x1f h HIS 131 N 0.20 0.46 0.78 1.13 3.86 0.76 -0.22 115.15 122.12 1x1f h HIS 131 Ca 0.41 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.57 1x1f h HIS 131 Cb 0.73 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1x1f h HIS 131 CO -0.31 0.38 -0.37 0.93 0.86 0.00 0.00 177.93 179.42 1x1f h GLU 132 N 0.40 -1.01 -0.90 2.45 5.08 0.34 -1.93 114.58 119.01 1x1f h GLU 132 Ca 0.11 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 58.79 1x1f h GLU 132 Cb 0.09 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 29.42 1x1f h GLU 132 CO -0.02 -0.66 0.25 0.28 -1.00 0.00 0.00 179.01 177.86 1x1f h VAL 133 N -1.25 0.28 0.10 3.13 2.07 0.23 0.43 116.25 121.24 1x1f h VAL 133 Ca -0.11 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1x1f h VAL 133 Cb 0.81 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1x1f h VAL 133 CO 0.18 0.04 -0.09 0.25 0.02 0.00 0.00 177.57 177.96 1x1f h LEU 134 N 0.19 -0.25 -1.49 2.57 5.85 -0.87 0.10 115.31 121.41 1x1f h LEU 134 Ca 0.58 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.63 1x1f h LEU 134 Cb 1.19 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 1x1f h LEU 134 CO -0.68 -0.12 0.75 -0.33 -0.34 0.00 0.00 178.44 177.72 1x1f h GLU 135 N -0.19 0.25 0.19 1.25 5.08 -0.38 0.77 114.58 121.55 1x1f h GLU 135 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1x1f h GLU 135 Cb 0.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1x1f h GLU 135 CO -0.01 0.16 -0.09 0.00 -1.00 0.00 0.00 179.01 178.08 1x1f h ARG 136 N 0.26 -0.24 0.00 2.33 2.47 0.56 -2.52 114.38 117.24 1x1f h ARG 136 Ca 0.64 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 59.30 1x1f h ARG 136 Cb 1.89 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 30.25 1x1f h ARG 136 CO -0.27 -0.11 -0.37 1.05 0.56 0.00 0.00 179.97 180.84 1x1f h GLU 137 N -0.32 0.00 -0.04 0.04 4.11 0.20 -3.18 114.58 115.40 1x1f h GLU 137 Ca -0.03 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.44 1x1f h GLU 137 Cb 0.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1x1f h GLU 137 CO 0.04 0.37 -0.32 0.87 0.07 0.00 0.00 179.01 180.04 1x1f h LYS 138 N 0.00 -0.43 -0.70 1.06 1.57 0.79 -1.22 116.57 117.64 1x1f h LYS 138 Ca -0.00 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1x1f h LYS 138 Cb 0.87 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 1x1f h LYS 138 CO 0.05 -0.29 -0.19 0.87 -0.57 0.00 0.00 179.45 179.32 1x1f h LYS 139 N -0.45 -0.01 -0.98 3.15 6.56 -1.46 0.51 116.57 123.89 1x1f h LYS 139 Ca 0.07 0.00 0.33 0.00 -1.06 0.00 0.00 60.65 59.99 1x1f h LYS 139 Cb 0.55 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.04 1x1f h LYS 139 CO -0.29 -0.01 0.30 -0.09 -2.06 0.00 0.00 179.45 177.30 1x1f h ARG 140 N -0.01 0.06 -1.07 3.15 2.43 -1.33 1.44 114.38 119.04 1x1f h ARG 140 Ca 0.33 -0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.82 1x1f h ARG 140 Cb 0.52 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.93 1x1f h ARG 140 CO -0.73 0.04 0.65 0.00 -1.51 0.00 0.00 179.97 178.42 1x1f h ARG 141 N 0.06 0.33 0.00 0.20 2.47 0.20 -0.07 114.38 117.58 1x1f h ARG 141 Ca 0.70 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.40 1x1f h ARG 141 Cb 1.65 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 1x1f h ARG 141 CO -0.80 0.22 0.00 -0.89 0.56 0.00 0.00 179.97 179.06 1x1f n ILE 142 N -4.85 0.00 0.21 2.04 5.41 0.49 -2.84 119.36 119.83 1x1f n ILE 142 Ca 0.30 1.05 -0.15 0.00 1.00 0.00 0.00 62.75 64.95 1x1f n ILE 142 Cb 1.00 -1.63 -0.07 0.00 -0.71 0.00 0.00 39.64 38.22 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x1f h GLU 143 N 0.00 -0.65 -5.93 0.38 4.39 -1.59 -3.34 114.58 107.84 1x1f h GLU 143 Ca 0.00 0.04 -0.43 0.00 0.34 0.00 0.00 59.36 59.31 1x1f h GLU 143 Cb 0.00 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 1x1f h GLU 143 CO 0.00 -0.44 1.07 -1.12 -1.16 0.00 0.00 179.01 177.37 1x1f s SER 144 N -4.63 5.59 0.47 1.42 0.01 -0.08 -4.96 113.70 111.51 1x1f s SER 144 Ca -0.16 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 1x1f s SER 144 Cb 0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1x1f s SER 144 CO 0.63 -2.29 0.74 -0.83 0.41 0.00 0.00 173.24 171.90 1x1f s GLY 145 N 6.90 1.50 -1.10 3.44 0.00 -1.22 -4.30 107.32 112.54 1x1f s GLY 145 Ca 0.60 -0.71 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 1x1f s GLY 145 CO 0.03 -0.54 2.06 -1.55 0.00 0.00 0.00 173.10 173.10 1x1f n PRO 146 N -2.20 2.15 -3.72 2.90 -0.04 -1.26 -4.91 135.00 127.92 1x1f n PRO 146 Ca 0.00 -2.22 -0.32 0.00 -0.04 0.00 0.00 63.50 60.92 1x1f n PRO 146 Cb 0.56 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 1x1f n PRO 146 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x1f s SER 147 N 4.18 6.48 0.37 3.54 1.04 -1.26 -5.10 113.70 122.94 1x1f s SER 147 Ca 0.53 0.54 0.03 0.00 0.48 0.00 0.00 55.95 57.53 1x1f s SER 147 Cb 0.14 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 1x1f s SER 147 CO 0.02 0.11 0.54 -0.55 0.98 0.00 0.00 173.24 174.34 1x1f s SER 148 N -2.30 6.01 0.00 7.02 0.15 -1.26 -5.27 113.70 118.05 1x1f s SER 148 Ca 0.38 0.11 0.05 0.00 0.70 0.00 0.00 55.95 57.19 1x1f s SER 148 Cb -0.13 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.68 1x1f s SER 148 CO 0.24 -0.46 0.65 0.61 1.20 0.00 0.00 173.24 175.47