#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 0.24 -0.46 1.61 0.15 -1.26 -5.08 113.70 108.90 1x1f s SER 2 Ca 0.00 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1x1f s SER 2 Cb 0.00 0.85 0.18 0.00 -1.71 0.00 0.00 66.02 65.34 1x1f s SER 2 CO 0.00 -0.24 0.52 -0.44 1.20 0.00 0.00 173.24 174.28 1x1f s SER 3 N 2.46 0.05 -0.12 5.45 0.01 -1.26 -5.12 113.70 115.18 1x1f s SER 3 Ca 0.01 -2.42 -0.08 0.00 1.31 0.00 0.00 55.95 54.77 1x1f s SER 3 Cb -0.12 0.68 0.04 0.00 0.21 0.00 0.00 66.02 66.83 1x1f s SER 3 CO -0.10 -0.11 0.29 -0.83 0.41 0.00 0.00 173.24 172.89 1x1f s GLY 4 N 0.46 -0.20 -0.34 3.44 0.00 -1.26 -5.11 107.32 104.31 1x1f s GLY 4 Ca 0.31 1.00 -0.00 0.00 0.00 0.00 0.00 44.72 46.03 1x1f s GLY 4 CO -0.13 1.09 0.24 -0.45 0.00 0.00 0.00 173.10 173.85 1x1f s SER 5 N 0.82 2.59 -0.08 1.64 0.15 -1.26 -5.01 113.70 112.54 1x1f s SER 5 Ca -0.05 -1.73 -0.10 0.00 0.70 0.00 0.00 55.95 54.77 1x1f s SER 5 Cb -0.07 -0.10 -0.07 0.00 -1.71 0.00 0.00 66.02 64.07 1x1f s SER 5 CO -0.05 -0.33 0.36 0.28 1.20 0.00 0.00 173.24 174.69 1x1f h SER 6 N 7.44 -0.13 0.00 5.45 0.02 -2.08 -3.49 113.55 120.76 1x1f h SER 6 Ca -0.02 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1x1f h SER 6 Cb 1.01 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1x1f h SER 6 CO 0.29 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 1x1f n GLY 7 N 1.28 2.23 2.95 -3.77 0.00 -1.26 -5.00 105.19 101.62 1x1f n GLY 7 Ca -0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1x1f n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x1f n GLN 8 N 0.00 -2.37 -3.72 1.61 7.27 -1.26 -4.98 117.38 113.93 1x1f n GLN 8 Ca 0.00 2.05 -0.37 0.00 0.07 0.00 0.00 57.00 58.75 1x1f n GLN 8 Cb 0.00 -5.02 -0.06 0.00 2.41 0.00 0.00 30.24 27.57 1x1f n GLN 8 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1x1f s GLU 9 N -2.49 3.67 -0.55 3.69 2.02 -1.26 -5.05 118.70 118.72 1x1f s GLU 9 Ca 0.25 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.36 1x1f s GLU 9 Cb -0.06 -3.22 0.15 0.00 0.10 0.00 0.00 34.13 31.10 1x1f s GLU 9 CO 0.78 0.71 0.35 1.03 0.02 0.00 0.00 175.26 178.15 1x1f s ARG 10 N -0.95 1.84 0.44 1.61 0.52 -1.26 -5.10 118.95 116.05 1x1f s ARG 10 Ca 0.18 -2.67 -0.08 0.00 -0.52 0.00 0.00 55.73 52.65 1x1f s ARG 10 Cb -0.14 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1x1f s ARG 10 CO 0.07 -1.22 0.77 -0.51 0.02 0.00 0.00 175.30 174.43 1x1f s LEU 11 N -0.51 3.74 -0.06 2.53 1.02 -1.26 -5.04 118.68 119.10 1x1f s LEU 11 Ca 0.22 1.02 -0.03 0.00 0.02 0.00 0.00 54.13 55.36 1x1f s LEU 11 Cb -0.14 -3.94 -0.01 0.00 0.02 0.00 0.00 46.19 42.12 1x1f s LEU 11 CO -0.09 -0.48 -0.07 0.11 0.02 0.00 0.00 176.35 175.85 1x1f h LYS 12 N 0.79 0.00 -6.26 1.70 1.57 -2.00 -3.47 116.57 108.90 1x1f h LYS 12 Ca -0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 1x1f h LYS 12 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1x1f h LYS 12 CO 0.63 0.00 -0.03 0.42 -0.57 0.00 0.00 179.45 179.90 1x1f s ILE 13 N -1.49 4.73 -0.29 1.86 1.01 -1.26 -5.05 121.20 120.71 1x1f s ILE 13 Ca -0.05 1.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 1x1f s ILE 13 Cb 0.01 -3.89 0.18 0.00 0.01 0.00 0.00 42.46 38.76 1x1f s ILE 13 CO 0.08 0.52 1.35 0.28 0.00 0.00 0.00 174.94 177.17 1x1f s THR 14 N -1.16 0.00 0.00 2.92 -1.32 -1.26 -5.10 115.64 109.72 1x1f s THR 14 Ca 0.30 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1x1f s THR 14 Cb -0.19 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 1x1f s THR 14 CO 0.19 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.60 1x1f n ALA 15 N 1.54 0.00 -1.77 11.08 0.00 -1.26 -5.13 120.51 124.97 1x1f n ALA 15 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 1x1f n ALA 15 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.93 4.18 -0.18 0.00 2.01 -1.26 -4.93 118.68 115.57 1x1f s LEU 16 Ca 0.00 2.80 -0.29 0.00 0.01 0.00 0.00 54.13 56.64 1x1f s LEU 16 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 46.19 42.28 1x1f s LEU 16 CO 0.00 -1.00 1.29 -2.16 1.01 0.00 0.00 176.35 175.49 1x1f s PRO 17 N -2.32 4.18 0.33 1.29 0.04 -1.26 -4.72 135.00 132.53 1x1f s PRO 17 Ca 0.58 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 1x1f s PRO 17 Cb -0.41 -3.79 -0.11 0.00 0.04 0.00 0.00 34.50 30.23 1x1f s PRO 17 CO 0.53 -0.77 1.41 -1.17 0.04 0.00 0.00 177.00 177.03 1x1f s LEU 18 N 3.66 4.38 0.00 -3.56 2.96 -1.26 -1.59 118.68 123.26 1x1f s LEU 18 Ca 0.56 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 57.28 1x1f s LEU 18 Cb -0.21 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1x1f s LEU 18 CO 0.16 -0.70 0.00 -1.22 -1.32 0.00 0.00 176.35 173.28 1x1f n TYR 19 N 1.10 0.00 -3.54 5.38 4.01 -0.10 -4.94 117.16 119.07 1x1f n TYR 19 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 1x1f n TYR 19 Cb 0.40 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.75 -0.62 0.00 -0.72 5.36 -1.22 -5.03 117.98 114.00 1x1f s PHE 20 Ca 0.00 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1x1f s PHE 20 Cb 0.00 0.41 -0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1x1f s PHE 20 CO 0.00 -0.55 -0.00 -1.83 -1.46 0.00 0.00 175.22 171.38 1x1f s GLU 21 N -1.05 0.05 0.00 10.12 1.03 -1.26 -0.31 118.70 127.27 1x1f s GLU 21 Ca -0.09 -0.08 0.00 0.00 0.03 0.00 0.00 54.97 54.83 1x1f s GLU 21 Cb -0.00 0.02 0.00 0.00 -0.80 0.00 0.00 34.13 33.34 1x1f s GLU 21 CO 0.08 -0.01 0.00 0.41 -1.33 0.00 0.00 175.26 174.41 1x1f n GLY 22 N 2.87 1.80 3.52 -3.83 0.00 -0.97 -5.05 105.19 103.53 1x1f n GLY 22 Ca -0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N -0.24 1.41 -3.99 1.61 3.72 -1.26 -3.35 117.46 115.36 1x1f n PHE 23 Ca 0.00 0.17 -0.28 0.00 -0.05 0.00 0.00 57.45 57.29 1x1f n PHE 23 Cb 0.00 -2.58 -0.04 0.00 -0.94 0.00 0.00 39.48 35.92 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 9.81 4.13 -0.25 4.37 2.96 -0.40 -4.84 118.68 134.45 1x1f s LEU 24 Ca 1.08 0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 55.00 1x1f s LEU 24 Cb -0.56 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1x1f s LEU 24 CO 0.37 0.10 0.09 -0.76 -1.32 0.00 0.00 176.35 174.84 1x1f s LEU 25 N -2.90 3.58 -0.12 -0.68 1.43 -1.02 -1.96 118.68 117.01 1x1f s LEU 25 Ca 0.33 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1x1f s LEU 25 Cb -0.11 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1x1f s LEU 25 CO 0.26 -0.02 -0.12 -0.63 0.23 0.00 0.00 176.35 176.08 1x1f s ILE 26 N 1.53 3.21 -0.47 -0.59 -1.09 -1.16 -2.08 121.20 120.55 1x1f s ILE 26 Ca 0.06 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1x1f s ILE 26 Cb -0.15 -2.34 0.38 0.00 -1.58 0.00 0.00 42.46 38.77 1x1f s ILE 26 CO 0.05 0.53 0.96 1.17 -1.23 0.00 0.00 174.94 176.42 1x1f n LYS 27 N 3.28 2.61 -0.52 2.79 4.81 -1.14 -3.37 118.16 126.64 1x1f n LYS 27 Ca -0.18 -4.29 -0.29 0.00 -0.87 0.00 0.00 58.31 52.68 1x1f n LYS 27 Cb 0.53 -2.02 0.24 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.19 -2.43 -1.63 1.64 1.74 -1.26 -4.37 116.66 110.15 1x1f n ARG 28 Ca 0.29 -0.69 -0.26 0.00 -0.77 0.00 0.00 57.85 56.42 1x1f n ARG 28 Cb 0.57 -1.97 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 1x1f n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1x1f n SER 29 N -3.88 2.17 0.00 0.55 3.41 -1.26 -3.31 113.62 111.30 1x1f n SER 29 Ca 0.02 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1x1f n SER 29 Cb 0.57 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1f n GLY 30 N 5.70 -0.53 2.07 5.00 0.00 -1.26 -5.09 105.19 111.08 1x1f n GLY 30 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.91 0.00 1.61 4.01 -1.21 -5.03 117.16 113.63 1x1f n TYR 31 Ca 0.00 0.72 0.00 0.00 -0.16 0.00 0.00 57.90 58.46 1x1f n TYR 31 Cb 0.00 1.56 0.00 0.00 -0.31 0.00 0.00 39.34 40.59 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 -3.31 0.00 -3.95 -0.72 3.00 -1.26 -4.89 116.66 105.53 1x1f n ARG 32 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1x1f n ARG 32 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.29 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1x1f s GLU 33 N 0.00 0.73 0.12 -0.14 2.02 -1.26 -5.11 118.70 115.06 1x1f s GLU 33 Ca 0.00 -0.00 -0.35 0.00 0.02 0.00 0.00 54.97 54.64 1x1f s GLU 33 Cb 0.00 -0.92 -0.16 0.00 0.10 0.00 0.00 34.13 33.15 1x1f s GLU 33 CO 0.00 -0.20 1.28 0.66 0.02 0.00 0.00 175.26 177.02 1x1f n TYR 34 N 4.62 1.46 -4.42 1.61 4.01 -1.26 -4.95 117.16 118.22 1x1f n TYR 34 Ca -0.16 0.64 -0.32 0.00 -0.16 0.00 0.00 57.90 57.90 1x1f n TYR 34 Cb 0.50 -2.32 -0.10 0.00 -0.31 0.00 0.00 39.34 37.11 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 0.16 2.59 -0.31 -0.72 0.41 -1.22 -4.96 118.70 114.66 1x1f s GLU 35 Ca 0.80 -0.71 -0.21 0.00 -0.41 0.00 0.00 54.97 54.44 1x1f s GLU 35 Cb -0.91 -2.53 -0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1x1f s GLU 35 CO 0.49 0.61 0.69 -1.01 -0.49 0.00 0.00 175.26 175.54 1x1f s HIS 36 N -1.02 3.20 -0.01 1.61 3.76 -1.26 -2.99 115.29 118.58 1x1f s HIS 36 Ca 0.18 0.64 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 1x1f s HIS 36 Cb -0.11 -3.09 -0.00 0.00 1.11 0.00 0.00 32.58 30.49 1x1f s HIS 36 CO 0.08 -0.52 -0.08 0.71 -0.85 0.00 0.00 174.74 174.08 1x1f s TYR 37 N 2.74 0.74 -1.02 1.40 2.02 -0.83 -4.99 117.35 117.41 1x1f s TYR 37 Ca 0.28 -0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.58 1x1f s TYR 37 Cb -0.15 -0.51 -0.08 0.00 -0.40 0.00 0.00 41.96 40.82 1x1f s TYR 37 CO 0.12 -0.04 1.99 -0.46 -1.57 0.00 0.00 175.55 175.59 1x1f s TRP 38 N -0.00 1.78 0.33 2.71 -0.11 -0.31 -1.28 118.94 122.06 1x1f s TRP 38 Ca 0.00 0.78 -0.22 0.00 1.22 0.00 0.00 56.10 57.88 1x1f s TRP 38 Cb -0.05 -3.93 -0.10 0.00 -1.50 0.00 0.00 33.47 27.89 1x1f s TRP 38 CO -0.00 -1.43 0.87 0.99 -4.62 0.00 0.00 176.95 172.75 1x1f s THR 39 N 11.29 4.40 -0.05 5.86 2.01 -1.21 -2.36 115.64 135.58 1x1f s THR 39 Ca 0.72 1.49 0.00 0.00 0.31 0.00 0.00 61.69 64.21 1x1f s THR 39 Cb -0.05 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1x1f s THR 39 CO 0.07 -0.02 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.34 1x1f s GLU 40 N -2.49 0.69 -0.22 4.92 2.02 0.13 -2.29 118.70 121.46 1x1f s GLU 40 Ca 0.53 -0.03 -0.19 0.00 0.02 0.00 0.00 54.97 55.29 1x1f s GLU 40 Cb -0.14 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.26 1x1f s GLU 40 CO 0.19 -0.14 0.57 -1.17 0.02 0.00 0.00 175.26 174.73 1x1f s LEU 41 N 1.15 4.12 -0.06 1.80 0.20 0.58 -1.79 118.68 124.67 1x1f s LEU 41 Ca -0.08 0.70 -0.03 0.00 0.69 0.00 0.00 54.13 55.42 1x1f s LEU 41 Cb -0.14 -2.77 0.04 0.00 -0.43 0.00 0.00 46.19 42.89 1x1f s LEU 41 CO -0.01 -0.25 0.13 -0.13 -0.29 0.00 0.00 176.35 175.80 1x1f s ARG 42 N 1.95 0.06 2.32 1.98 0.52 -1.24 -0.92 118.95 123.62 1x1f s ARG 42 Ca 0.25 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1x1f s ARG 42 Cb -0.16 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.10 1x1f s ARG 42 CO 0.10 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1x1f n GLY 43 N 4.47 0.34 0.59 -3.53 0.00 -0.62 -0.71 105.19 105.73 1x1f n GLY 43 Ca -0.22 0.64 -0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.00 2.61 -2.24 -1.26 -4.80 114.28 104.59 1x1f n THR 44 Ca 0.00 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1x1f n THR 44 Cb 0.00 0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.60 -0.23 4.28 2.01 0.12 -3.34 115.64 120.08 1x1f s THR 45 Ca 0.02 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1x1f s THR 45 Cb 0.03 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1x1f s THR 45 CO -0.01 0.25 1.32 -0.76 -0.69 0.00 0.00 174.62 174.74 1x1f s LEU 46 N 1.43 4.03 -0.15 4.42 1.43 -0.48 -3.60 118.68 125.76 1x1f s LEU 46 Ca 0.01 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1x1f s LEU 46 Cb -0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1x1f s LEU 46 CO -0.09 -0.95 0.02 -0.36 0.23 0.00 0.00 176.35 175.20 1x1f s PHE 47 N 4.05 3.17 0.03 0.29 0.08 -0.74 0.84 117.98 125.71 1x1f s PHE 47 Ca 0.57 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.71 1x1f s PHE 47 Cb -0.20 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1x1f s PHE 47 CO 0.20 0.20 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.23 1x1f s PHE 48 N -0.02 2.42 -0.06 0.36 0.08 -0.02 0.19 117.98 120.93 1x1f s PHE 48 Ca 0.04 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 1x1f s PHE 48 Cb -0.13 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1x1f s PHE 48 CO 0.02 0.15 0.16 0.71 -0.10 0.00 0.00 175.22 176.16 1x1f s TYR 49 N -0.82 -0.18 0.38 0.36 1.51 -0.99 -2.63 117.35 114.98 1x1f s TYR 49 Ca 0.12 0.44 0.16 0.00 -1.01 0.00 0.00 57.07 56.79 1x1f s TYR 49 Cb -0.10 0.05 1.06 0.00 -0.11 0.00 0.00 41.96 42.86 1x1f s TYR 49 CO 0.03 -0.09 1.76 1.79 -1.11 0.00 0.00 175.55 177.92 1x1f h THR 50 N 4.98 0.52 0.00 -0.71 1.35 -1.95 -0.81 112.91 116.30 1x1f h THR 50 Ca -0.26 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1x1f h THR 50 Cb 1.19 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1x1f h THR 50 CO 0.41 0.08 0.00 -0.67 -0.25 0.00 0.00 175.52 175.09 1x1f n ASP 51 N -4.68 0.00 -0.13 5.36 2.03 -1.26 -4.41 116.55 113.46 1x1f n ASP 51 Ca 0.26 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.47 1x1f n ASP 51 Cb 0.85 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.24 1x1f n ASP 51 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1x1f h LYS 52 N 0.00 0.62 -0.32 -0.67 3.11 -1.96 -1.54 116.57 115.80 1x1f h LYS 52 Ca 0.00 -0.14 0.09 0.00 -2.81 0.00 0.00 60.65 57.79 1x1f h LYS 52 Cb 0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 1x1f h LYS 52 CO 0.00 0.64 0.54 0.87 -2.81 0.00 0.00 179.45 178.69 1x1f h LYS 53 N 0.48 0.00 -5.65 1.90 1.79 -1.99 -3.42 116.57 109.68 1x1f h LYS 53 Ca 0.12 0.00 -0.81 0.00 -2.18 0.00 0.00 60.65 57.78 1x1f h LYS 53 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x1f h LYS 53 CO -0.00 0.00 0.75 -1.13 -1.08 0.00 0.00 179.45 177.99 1x1f n SER 54 N -3.30 1.07 -0.06 0.86 3.41 -0.58 -4.84 113.62 110.17 1x1f n SER 54 Ca 0.06 1.04 -0.07 0.00 -0.26 0.00 0.00 58.87 59.64 1x1f n SER 54 Cb 0.68 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1x1f n SER 54 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1x1f h ILE 55 N 5.02 0.59 0.00 -1.33 5.03 -1.89 -3.46 117.51 121.47 1x1f h ILE 55 Ca -0.36 -1.50 0.00 0.00 -0.12 0.00 0.00 64.86 62.88 1x1f h ILE 55 Cb 1.30 1.17 0.00 0.00 -3.03 0.00 0.00 36.82 36.26 1x1f h ILE 55 CO 0.94 0.20 0.00 -0.38 -0.68 0.00 0.00 178.15 178.23 1x1f n ILE 56 N -4.67 0.00 0.00 -0.67 5.41 -1.26 -4.97 119.36 113.20 1x1f n ILE 56 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1x1f n ILE 56 Cb 0.25 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1x1f n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x1f n TYR 57 N -1.06 0.00 0.03 1.39 4.11 -1.26 -5.02 117.16 115.35 1x1f n TYR 57 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 1x1f n TYR 57 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 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 0.14 1.18 0.00 -3.48 3.04 -1.87 -3.50 116.25 111.76 1x1f h VAL 58 Ca 0.00 -2.93 0.00 0.00 -1.01 0.00 0.00 66.70 62.76 1x1f h VAL 58 Cb 0.00 2.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 1x1f h VAL 58 CO 0.00 0.74 0.00 -0.67 -1.01 0.00 0.00 177.57 176.63 1x1f n ASP 59 N -3.26 0.00 -3.97 3.17 -0.08 -1.20 -5.05 116.55 106.16 1x1f n ASP 59 Ca -0.12 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.06 1x1f n ASP 59 Cb 1.02 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.41 1x1f n ASP 59 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1x1f s LYS 60 N -2.00 1.33 0.31 -0.67 -2.85 -1.26 -0.84 119.74 113.77 1x1f s LYS 60 Ca 0.00 -1.21 0.05 0.00 -1.00 0.00 0.00 55.97 53.81 1x1f s LYS 60 Cb 0.00 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1x1f s LYS 60 CO 0.00 -0.52 0.21 -0.51 0.10 0.00 0.00 175.35 174.63 1x1f s LEU 61 N -2.99 1.67 -0.03 2.77 1.43 0.25 -4.97 118.68 116.80 1x1f s LEU 61 Ca 0.20 -1.65 0.01 0.00 -1.03 0.00 0.00 54.13 51.66 1x1f s LEU 61 Cb 0.02 0.38 0.01 0.00 0.03 0.00 0.00 46.19 46.63 1x1f s LEU 61 CO 0.04 -0.98 -0.04 -0.62 0.23 0.00 0.00 176.35 174.99 1x1f s ASP 62 N -3.37 0.68 -0.04 2.29 2.15 -1.26 -1.39 116.67 115.74 1x1f s ASP 62 Ca 0.38 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.32 1x1f s ASP 62 Cb 0.04 -0.25 0.08 0.00 -0.30 0.00 0.00 42.92 42.49 1x1f s ASP 62 CO 0.22 -0.02 0.94 2.30 -0.17 0.00 0.00 175.17 178.43 1x1f n ILE 63 N 3.66 0.75 -0.17 4.11 -5.35 -1.21 -4.76 119.36 116.39 1x1f n ILE 63 Ca -0.21 -0.86 -0.11 0.00 -0.27 0.00 0.00 62.75 61.30 1x1f n ILE 63 Cb 0.53 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 2.72 1.27 -0.35 7.28 3.04 -1.79 -2.12 116.25 126.30 1x1f h VAL 64 Ca 0.00 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1x1f h VAL 64 Cb 1.02 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1x1f h VAL 64 CO 0.00 0.46 0.00 0.47 -1.01 0.00 0.00 177.57 177.49 1x1f n ASP 65 N -4.14 3.57 -4.61 3.17 8.00 -1.26 -4.87 116.55 116.41 1x1f n ASP 65 Ca 0.01 -2.47 -0.52 0.00 0.71 0.00 0.00 54.79 52.51 1x1f n ASP 65 Cb 0.43 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.41 1.86 0.09 0.64 7.94 -0.80 -4.22 117.00 122.93 1x1f n LEU 66 Ca 0.16 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 56.04 1x1f n LEU 66 Cb 0.75 -1.20 -0.13 0.00 0.53 0.00 0.00 43.42 43.36 1x1f n LEU 66 CO 0.18 -0.90 0.02 0.74 -1.11 0.00 0.00 177.39 176.32 1x1f h THR 67 N 3.64 1.59 0.00 1.96 2.02 0.17 -3.49 112.91 118.80 1x1f h THR 67 Ca -0.47 -3.21 0.00 0.00 0.77 0.00 0.00 66.41 63.50 1x1f h THR 67 Cb 1.33 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.65 1x1f h THR 67 CO 0.81 0.93 0.00 0.00 0.37 0.00 0.00 175.52 177.63 1x1f s LEU 69 N 0.00 1.30 0.00 0.00 0.20 -1.26 -1.76 118.68 117.16 1x1f s LEU 69 Ca 0.00 -0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.79 1x1f s LEU 69 Cb 0.00 -0.20 0.00 0.00 -0.43 0.00 0.00 46.19 45.56 1x1f s LEU 69 CO 0.00 -0.08 0.00 1.07 -0.29 0.00 0.00 176.35 177.05 1x1f n THR 70 N 3.95 0.00 -3.88 3.68 5.66 -1.18 -4.98 114.28 117.54 1x1f n THR 70 Ca -0.25 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.47 1x1f n THR 70 Cb 0.52 -0.15 -0.16 0.00 -1.55 0.00 0.00 70.33 68.99 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 -1.79 1.36 -0.13 1.09 2.02 -1.26 -3.11 118.70 116.88 1x1f s GLU 71 Ca 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1x1f s GLU 71 Cb 0.00 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 32.05 1x1f s GLU 71 CO 0.00 -0.51 -0.20 -0.65 0.02 0.00 0.00 175.26 173.92 1x1f s GLN 72 N 1.60 2.76 0.91 1.61 -0.21 -0.94 -4.97 119.66 120.42 1x1f s GLN 72 Ca -0.01 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 54.46 1x1f s GLN 72 Cb -0.17 -2.25 0.16 0.00 1.00 0.00 0.00 33.01 31.75 1x1f s GLN 72 CO -0.07 -0.03 1.27 -0.80 -2.12 0.00 0.00 175.29 173.54 1x1f s ASN 73 N 0.86 3.59 0.00 5.90 0.01 -1.26 -4.36 114.94 119.69 1x1f s ASN 73 Ca -0.07 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 1x1f s ASN 73 Cb -0.15 -0.68 0.00 0.00 0.41 0.00 0.00 41.25 40.83 1x1f s ASN 73 CO -0.02 -2.45 0.00 -1.20 -1.51 0.00 0.00 177.10 171.92 1x1f n SER 74 N -3.62 0.00 -4.84 -1.22 7.64 -1.26 -5.11 113.62 105.21 1x1f n SER 74 Ca 0.12 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 1x1f n SER 74 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1x1f n SER 74 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1f s THR 75 N -0.88 4.59 1.33 0.44 2.01 -1.26 -5.06 115.64 116.80 1x1f s THR 75 Ca 0.00 1.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.88 1x1f s THR 75 Cb 0.00 -3.65 0.33 0.00 0.01 0.00 0.00 72.50 69.19 1x1f s THR 75 CO 0.00 -0.38 1.01 -0.70 -0.69 0.00 0.00 174.62 173.85 1x1f s GLU 76 N -3.41 -2.19 0.26 4.92 2.12 -1.26 -4.86 118.70 114.29 1x1f s GLU 76 Ca 0.57 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1x1f s GLU 76 Cb -0.10 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.82 1x1f s GLU 76 CO 0.21 -4.37 0.00 1.17 -0.54 0.00 0.00 175.26 171.73 1x1f n LYS 77 N -5.26 -3.19 -2.10 4.30 3.00 -1.26 -4.75 118.16 108.90 1x1f n LYS 77 Ca 0.13 2.32 -0.43 0.00 -0.00 0.00 0.00 58.31 60.33 1x1f n LYS 77 Cb 0.60 -2.57 -0.03 0.00 0.00 0.00 0.00 35.03 33.03 1x1f n LYS 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x1f s ASN 78 N -1.95 6.10 0.21 3.14 4.22 -1.26 -4.94 114.94 120.46 1x1f s ASN 78 Ca 0.00 1.27 -0.04 0.00 -2.14 0.00 0.00 52.86 51.95 1x1f s ASN 78 Cb 0.00 -2.53 -0.03 0.00 1.28 0.00 0.00 41.25 39.97 1x1f s ASN 78 CO 0.00 -1.55 0.22 0.00 -2.04 0.00 0.00 177.10 173.73 1x1f s ALA 80 N -4.11 3.31 -0.14 0.00 0.00 -1.26 -4.98 121.76 114.57 1x1f s ALA 80 Ca 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1x1f s ALA 80 Cb 0.05 -3.80 0.04 0.00 0.00 0.00 0.00 23.12 19.41 1x1f s ALA 80 CO 0.11 -1.88 0.00 0.15 0.00 0.00 0.00 175.76 174.15 1x1f s LYS 81 N 4.31 0.81 0.06 0.00 1.02 -1.26 -3.51 119.74 121.17 1x1f s LYS 81 Ca 0.58 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.26 1x1f s LYS 81 Cb -0.17 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1x1f s LYS 81 CO 0.25 -0.47 0.13 -0.59 -0.92 0.00 0.00 175.35 173.74 1x1f s PHE 82 N 1.85 0.22 -0.04 3.18 -0.12 -1.22 -2.22 117.98 119.62 1x1f s PHE 82 Ca 0.02 -0.60 0.05 0.00 -0.05 0.00 0.00 56.93 56.35 1x1f s PHE 82 Cb -0.15 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1x1f s PHE 82 CO -0.07 -0.45 -0.19 0.99 -0.05 0.00 0.00 175.22 175.45 1x1f s THR 83 N -3.33 2.61 -0.37 -4.49 2.01 -1.18 -2.09 115.64 108.80 1x1f s THR 83 Ca 0.01 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 60.88 1x1f s THR 83 Cb 0.03 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.57 1x1f s THR 83 CO -0.08 0.58 0.80 -0.76 -0.69 0.00 0.00 174.62 174.47 1x1f s LEU 84 N -0.63 4.12 -0.29 4.42 2.01 0.28 -3.10 118.68 125.49 1x1f s LEU 84 Ca 0.10 0.35 -0.22 0.00 0.01 0.00 0.00 54.13 54.37 1x1f s LEU 84 Cb -0.11 -3.05 -0.01 0.00 0.01 0.00 0.00 46.19 43.04 1x1f s LEU 84 CO 0.00 -0.76 0.71 -0.69 1.01 0.00 0.00 176.35 176.63 1x1f s VAL 85 N 3.15 4.87 0.21 -1.59 1.01 -0.72 -1.06 120.40 126.27 1x1f s VAL 85 Ca 0.32 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.49 1x1f s VAL 85 Cb -0.13 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1x1f s VAL 85 CO 0.17 -0.16 -0.20 -0.76 0.00 0.00 0.00 175.10 174.15 1x1f s LEU 86 N 2.77 2.49 0.00 3.92 1.43 -1.23 0.19 118.68 128.24 1x1f s LEU 86 Ca 0.29 -0.93 0.24 0.00 -1.03 0.00 0.00 54.13 52.70 1x1f s LEU 86 Cb -0.15 -1.01 1.41 0.00 0.03 0.00 0.00 46.19 46.47 1x1f s LEU 86 CO 0.11 0.03 1.78 -0.81 0.23 0.00 0.00 176.35 177.69 1x1f n PRO 87 N -0.06 0.75 -0.01 1.29 -0.04 -1.26 -3.66 135.00 132.01 1x1f n PRO 87 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1x1f n PRO 87 Cb 0.58 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.99 0.19 -3.62 0.54 4.76 -1.26 -5.10 118.16 112.68 1x1f n LYS 88 Ca 0.18 0.08 -0.16 0.00 -2.87 0.00 0.00 58.31 55.53 1x1f n LYS 88 Cb 0.08 -0.83 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.29 0.88 -0.02 1.97 2.12 -1.24 -5.15 118.70 114.96 1x1f s GLU 89 Ca -0.11 0.19 -0.21 0.00 0.36 0.00 0.00 54.97 55.21 1x1f s GLU 89 Cb 0.02 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 1x1f s GLU 89 CO 0.15 -0.25 0.60 -1.21 -0.54 0.00 0.00 175.26 174.02 1x1f s GLU 90 N -1.01 4.33 0.09 4.30 2.02 -1.26 -3.54 118.70 123.62 1x1f s GLU 90 Ca -0.10 0.73 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1x1f s GLU 90 Cb -0.02 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1x1f s GLU 90 CO 0.07 0.32 -0.17 0.08 0.02 0.00 0.00 175.26 175.58 1x1f s VAL 91 N -0.01 2.91 -0.09 2.63 1.01 -0.23 -4.78 120.40 121.84 1x1f s VAL 91 Ca 0.31 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1x1f s VAL 91 Cb -0.18 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1x1f s VAL 91 CO 0.17 0.19 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 1x1f s GLN 92 N -1.89 3.11 0.05 2.72 -0.21 -1.26 0.10 119.66 122.27 1x1f s GLN 92 Ca 0.17 -0.33 0.05 0.00 0.02 0.00 0.00 55.36 55.27 1x1f s GLN 92 Cb -0.11 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 1x1f s GLN 92 CO 0.09 0.72 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.33 1x1f s LEU 93 N -0.94 2.20 -0.02 2.90 1.02 -0.89 -2.86 118.68 120.07 1x1f s LEU 93 Ca 0.14 -0.49 -0.09 0.00 0.02 0.00 0.00 54.13 53.71 1x1f s LEU 93 Cb -0.12 -0.56 0.01 0.00 0.02 0.00 0.00 46.19 45.54 1x1f s LEU 93 CO 0.03 0.00 0.19 -0.75 0.02 0.00 0.00 176.35 175.84 1x1f s LYS 94 N -1.27 0.46 0.12 1.70 2.20 -0.88 -3.43 119.74 118.64 1x1f s LYS 94 Ca 0.00 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1x1f s LYS 94 Cb -0.08 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1x1f s LYS 94 CO 0.01 -0.11 -0.17 0.95 -0.36 0.00 0.00 175.35 175.68 1x1f s THR 95 N -0.99 1.51 -0.77 3.43 -4.23 -1.23 -2.43 115.64 110.92 1x1f s THR 95 Ca -0.11 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1x1f s THR 95 Cb -0.06 -1.54 0.39 0.00 1.34 0.00 0.00 72.50 72.63 1x1f s THR 95 CO 0.02 -0.27 2.02 -0.62 -0.54 0.00 0.00 174.62 175.23 1x1f n GLU 96 N 0.73 2.73 0.00 3.99 -0.58 -1.26 -4.65 120.64 121.61 1x1f n GLU 96 Ca -0.17 -3.44 0.00 0.00 -0.42 0.00 0.00 57.16 53.13 1x1f n GLU 96 Cb 0.56 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1x1f n GLU 96 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x1f n ASN 97 N -0.69 0.00 0.11 1.62 2.85 -1.26 -5.01 115.26 112.89 1x1f n ASN 97 Ca 0.57 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 55.05 1x1f n ASN 97 Cb 0.41 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.41 1x1f n ASN 97 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1x1f h THR 98 N 1.56 0.97 0.34 -0.44 2.02 -1.91 -2.81 112.91 112.63 1x1f h THR 98 Ca 0.00 -2.40 -0.02 0.00 0.77 0.00 0.00 66.41 64.76 1x1f h THR 98 Cb 0.00 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1x1f h THR 98 CO 0.00 0.55 -0.16 -0.08 0.37 0.00 0.00 175.52 176.20 1x1f h GLU 99 N 0.00 -0.44 -0.27 6.66 4.81 -2.00 -1.99 114.58 121.34 1x1f h GLU 99 Ca -0.02 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1x1f h GLU 99 Cb 1.48 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 1x1f h GLU 99 CO 0.07 -0.29 0.19 0.77 -0.73 0.00 0.00 179.01 179.02 1x1f h SER 100 N -0.53 0.16 0.20 1.04 0.02 -1.96 -1.25 113.55 111.21 1x1f h SER 100 Ca -0.05 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1x1f h SER 100 Cb 0.35 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1x1f h SER 100 CO 0.08 0.11 -0.28 1.23 -1.14 0.00 0.00 176.83 176.83 1x1f h GLY 101 N 0.18 -0.57 1.29 -3.77 0.00 -1.41 -0.38 103.07 98.42 1x1f h GLY 101 Ca 0.12 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.68 1x1f h GLY 101 CO -0.02 -0.24 -0.08 0.83 0.00 0.00 0.00 176.54 177.04 1x1f h GLU 102 N -0.54 0.85 0.11 4.80 5.08 -0.81 -1.78 114.58 122.29 1x1f h GLU 102 Ca 0.01 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1x1f h GLU 102 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1x1f h GLU 102 CO -0.11 0.90 -0.19 0.93 -1.00 0.00 0.00 179.01 179.53 1x1f h GLU 103 N 0.77 -0.31 0.13 2.33 4.39 -0.77 0.50 114.58 121.62 1x1f h GLU 103 Ca 0.13 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1x1f h GLU 103 Cb 0.57 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1x1f h GLU 103 CO 0.04 -0.21 -0.29 -1.49 -1.16 0.00 0.00 179.01 175.90 1x1f h TRP 104 N -0.32 -0.82 -0.87 4.33 4.06 -1.11 0.62 115.95 121.85 1x1f h TRP 104 Ca -0.01 0.02 0.31 0.00 2.06 0.00 0.00 58.89 61.27 1x1f h TRP 104 Cb 0.30 0.34 -0.16 0.00 -1.00 0.00 0.00 29.16 28.64 1x1f h TRP 104 CO -0.25 -0.34 0.28 -2.13 -3.56 0.00 0.00 178.44 172.44 1x1f n ARG 105 N -4.08 -0.06 0.04 0.49 0.63 -0.67 0.84 116.66 113.86 1x1f n ARG 105 Ca -0.05 1.24 -0.02 0.00 -0.92 0.00 0.00 57.85 58.10 1x1f n ARG 105 Cb 0.23 -2.11 -0.01 0.00 0.45 0.00 0.00 32.46 31.02 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 -0.13 -0.76 5.14 0.00 0.16 -1.38 103.07 106.10 1x1f h GLY 106 Ca 0.65 0.05 0.35 0.00 0.00 0.00 0.00 47.33 48.38 1x1f h GLY 106 CO -0.73 -0.05 0.48 0.74 0.00 0.00 0.00 176.54 176.98 1x1f h PHE 107 N -0.26 0.75 0.72 5.60 0.04 0.18 0.16 116.94 124.12 1x1f h PHE 107 Ca -0.01 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1x1f h PHE 107 Cb 0.10 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.09 1x1f h PHE 107 CO 0.07 -0.33 -0.34 0.82 -0.60 0.00 0.00 178.31 177.93 1x1f h ILE 108 N 0.15 0.00 -0.98 -0.55 5.03 0.37 -0.56 117.51 120.96 1x1f h ILE 108 Ca 0.76 -0.25 0.28 0.00 -0.12 0.00 0.00 64.86 65.53 1x1f h ILE 108 Cb 1.83 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.58 1x1f h ILE 108 CO -0.71 0.00 0.98 -0.07 -0.68 0.00 0.00 178.15 177.67 1x1f h LEU 109 N -1.21 0.00 0.19 1.44 3.38 0.39 1.58 115.31 121.08 1x1f h LEU 109 Ca -0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.62 1x1f h LEU 109 Cb 0.74 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.52 1x1f h LEU 109 CO 0.16 0.00 -1.12 0.74 0.09 0.00 0.00 178.44 178.31 1x1f h THR 110 N 0.00 1.40 -0.50 0.22 2.02 -0.52 0.56 112.91 116.10 1x1f h THR 110 Ca 0.47 -2.61 -0.25 0.00 0.77 0.00 0.00 66.41 64.79 1x1f h THR 110 Cb 2.43 3.13 -0.15 0.00 -1.74 0.00 0.00 68.15 71.82 1x1f h THR 110 CO -0.00 0.76 0.32 1.33 0.37 0.00 0.00 175.52 178.29 1x1f n VAL 111 N -3.94 2.09 0.00 3.16 0.24 0.52 -2.12 118.33 118.27 1x1f n VAL 111 Ca -0.15 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 1x1f n VAL 111 Cb 0.95 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.31 0.00 0.38 3.34 -2.24 0.04 -4.53 114.28 110.96 1x1f n THR 112 Ca 0.30 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 1x1f n THR 112 Cb 1.08 -0.24 0.10 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.46 -0.78 5.08 -1.00 -3.47 114.58 113.96 1x1f h GLU 113 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 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 -0.13 1.28 -1.00 0.00 0.00 179.01 179.16 1x1f n LEU 114 N -2.37 -0.67 0.00 1.33 7.99 -0.90 -4.97 117.00 117.42 1x1f n LEU 114 Ca 0.02 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 1x1f n LEU 114 Cb 0.48 -1.26 0.00 0.00 -0.11 0.00 0.00 43.42 42.54 1x1f n LEU 114 CO 0.38 -0.29 0.00 -0.24 -1.51 0.00 0.00 177.39 175.73 1x1f n SER 115 N 0.88 0.00 -3.81 -1.43 2.88 -1.23 -5.05 113.62 105.87 1x1f n SER 115 Ca -0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.29 1x1f n SER 115 Cb 0.29 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.59 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 -0.66 0.21 -0.27 2.46 1.01 -1.26 -4.09 120.40 117.80 1x1f s VAL 116 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1x1f s VAL 116 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1x1f s VAL 116 CO 0.00 0.17 1.33 -2.16 0.00 0.00 0.00 175.10 174.44 1x1f s PRO 117 N 1.21 3.95 0.18 2.72 0.04 -1.26 -4.87 135.00 136.97 1x1f s PRO 117 Ca -0.07 1.35 0.23 0.00 0.04 0.00 0.00 61.00 62.55 1x1f s PRO 117 Cb -0.13 -3.88 0.13 0.00 0.04 0.00 0.00 34.50 30.65 1x1f s PRO 117 CO -0.02 -1.08 1.16 1.96 0.04 0.00 0.00 177.00 179.06 1x1f h GLN 118 N 9.30 0.00 -0.92 4.56 4.20 -2.01 -3.29 115.11 126.95 1x1f h GLN 118 Ca -0.27 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.19 1x1f h GLN 118 Cb 1.10 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.74 1x1f h GLN 118 CO 1.02 0.00 0.32 0.09 -0.67 0.00 0.00 178.83 179.59 1x1f n ASN 119 N -2.49 3.73 -2.41 1.46 4.13 -1.26 -4.91 115.26 113.51 1x1f n ASN 119 Ca 0.01 -2.96 -0.06 0.00 1.68 0.00 0.00 54.58 53.25 1x1f n ASN 119 Cb 0.51 -0.70 0.04 0.00 -1.54 0.00 0.00 39.78 38.09 1x1f n ASN 119 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1x1f n VAL 120 N -0.31 0.00 -0.02 2.41 3.14 -1.24 -5.04 118.33 117.27 1x1f n VAL 120 Ca 0.35 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.49 1x1f n VAL 120 Cb 1.19 -1.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 1x1f n VAL 120 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1x1f n SER 121 N -3.14 4.04 -4.03 6.55 7.64 -1.26 -5.05 113.62 118.37 1x1f n SER 121 Ca 0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1x1f n SER 121 Cb 0.12 0.67 0.04 0.00 -1.01 0.00 0.00 64.21 64.02 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1x1f n LEU 122 N -2.08 -5.79 -4.56 -3.43 7.94 -1.26 -4.89 117.00 102.93 1x1f n LEU 122 Ca -0.06 0.23 -0.28 0.00 -1.11 0.00 0.00 56.01 54.79 1x1f n LEU 122 Cb 0.57 -0.77 0.23 0.00 0.53 0.00 0.00 43.42 43.97 1x1f n LEU 122 CO 0.08 -5.92 0.56 -0.76 -1.11 0.00 0.00 177.39 170.25 1x1f s LEU 123 N 7.66 0.95 0.00 -1.96 2.01 -1.26 -4.78 118.68 121.29 1x1f s LEU 123 Ca 0.42 1.25 0.22 0.00 0.01 0.00 0.00 54.13 56.03 1x1f s LEU 123 Cb -0.22 -3.21 1.01 0.00 0.01 0.00 0.00 46.19 43.78 1x1f s LEU 123 CO 0.81 -3.88 1.72 -0.81 1.01 0.00 0.00 176.35 175.20 1x1f n PRO 124 N -4.68 0.12 -0.08 1.29 -0.04 -1.26 -2.23 135.00 128.13 1x1f n PRO 124 Ca 0.05 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 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 0.71 -0.78 0.09 0.55 0.00 -1.26 -4.30 105.19 100.20 1x1f n GLY 125 Ca 0.07 -0.22 -0.14 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 0.13 -1.30 1.61 4.20 -1.88 -3.11 115.11 114.77 1x1f h GLN 126 Ca -0.48 -0.10 0.41 0.00 0.06 0.00 0.00 58.65 58.54 1x1f h GLN 126 Cb 2.08 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 29.76 1x1f h GLN 126 CO 0.02 0.73 0.85 0.28 -0.67 0.00 0.00 178.83 180.04 1x1f h VAL 127 N -0.45 0.19 -0.67 -0.54 2.07 -1.66 1.47 116.25 116.66 1x1f h VAL 127 Ca -0.00 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1x1f h VAL 127 Cb 0.75 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 1x1f h VAL 127 CO 0.02 0.02 0.26 0.40 0.02 0.00 0.00 177.57 178.29 1x1f h ILE 128 N 0.12 0.73 -0.61 4.57 2.04 -1.72 -0.59 117.51 122.05 1x1f h ILE 128 Ca 0.78 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 66.61 1x1f h ILE 128 Cb 2.45 0.26 -0.12 0.00 -0.74 0.00 0.00 36.82 38.67 1x1f h ILE 128 CO -0.37 0.08 -0.25 0.11 0.00 0.00 0.00 178.15 177.72 1x1f h LYS 129 N 0.43 -0.09 -0.57 2.37 1.79 0.19 0.43 116.57 121.13 1x1f h LYS 129 Ca 0.35 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.92 1x1f h LYS 129 Cb 0.47 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.07 1x1f h LYS 129 CO -0.35 -0.06 0.16 -0.07 -1.08 0.00 0.00 179.45 178.05 1x1f h LEU 130 N -0.09 0.09 -0.12 2.94 3.38 -1.15 1.67 115.31 122.03 1x1f h LEU 130 Ca 0.27 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1x1f h LEU 130 Cb 0.52 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1x1f h LEU 130 CO -0.67 0.06 -0.21 0.45 0.09 0.00 0.00 178.44 178.16 1x1f h HIS 131 N 0.31 -0.55 0.57 1.13 3.86 0.23 0.56 115.15 121.25 1x1f h HIS 131 Ca 0.29 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.50 1x1f h HIS 131 Cb 0.39 0.26 0.01 0.00 1.06 0.00 0.00 27.41 29.13 1x1f h HIS 131 CO -0.21 -0.29 -0.27 0.93 0.86 0.00 0.00 177.93 178.95 1x1f h GLU 132 N -0.27 -0.73 -1.17 2.45 5.08 0.27 -2.71 114.58 117.50 1x1f h GLU 132 Ca 0.10 0.05 0.36 0.00 -1.00 0.00 0.00 59.36 58.87 1x1f h GLU 132 Cb 0.41 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.71 1x1f h GLU 132 CO -0.28 -0.44 0.74 0.28 -1.00 0.00 0.00 179.01 178.32 1x1f h VAL 133 N -1.10 0.28 0.00 3.13 2.07 0.26 0.30 116.25 121.19 1x1f h VAL 133 Ca -0.08 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1x1f h VAL 133 Cb 0.64 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1x1f h VAL 133 CO 0.13 0.04 0.00 -0.11 0.02 0.00 0.00 177.57 177.65 1x1f n LEU 134 N -4.74 0.00 -0.41 2.57 7.94 0.19 -1.29 117.00 121.27 1x1f n LEU 134 Ca 0.32 0.99 0.33 0.00 -1.11 0.00 0.00 56.01 56.55 1x1f n LEU 134 Cb 1.17 -0.49 0.61 0.00 0.53 0.00 0.00 43.42 45.24 1x1f n LEU 134 CO 0.20 -0.49 1.22 1.05 -1.11 0.00 0.00 177.39 178.26 1x1f h GLU 135 N 0.00 0.15 0.88 1.96 4.11 -0.83 0.53 114.58 121.37 1x1f h GLU 135 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1x1f h GLU 135 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1x1f h GLU 135 CO 0.00 0.10 -0.48 0.00 0.07 0.00 0.00 179.01 178.70 1x1f h ARG 136 N 0.15 -1.20 0.00 1.06 -0.00 -0.64 -2.39 114.38 111.36 1x1f h ARG 136 Ca 0.78 0.08 -0.03 0.00 -0.50 0.00 0.00 59.98 60.31 1x1f h ARG 136 Cb 2.31 0.27 -0.00 0.00 0.00 0.00 0.00 29.97 32.55 1x1f h ARG 136 CO -0.42 -0.80 -0.13 1.05 0.00 0.00 0.00 179.97 179.67 1x1f h GLU 137 N -1.25 0.00 0.13 0.04 4.11 0.70 -2.87 114.58 115.44 1x1f h GLU 137 Ca -0.12 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.33 1x1f h GLU 137 Cb 0.98 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1x1f h GLU 137 CO 0.16 0.13 -0.43 0.87 0.07 0.00 0.00 179.01 179.80 1x1f h LYS 138 N 0.00 -0.65 -0.99 1.06 1.57 0.38 1.59 116.57 119.53 1x1f h LYS 138 Ca -0.00 0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.09 1x1f h LYS 138 Cb 0.28 0.15 -0.19 0.00 0.08 0.00 0.00 32.23 32.55 1x1f h LYS 138 CO 0.02 -0.43 -0.01 1.63 -0.57 0.00 0.00 179.45 180.08 1x1f n LYS 139 N -5.47 -0.08 0.07 3.15 4.76 -0.99 0.20 118.16 119.81 1x1f n LYS 139 Ca -0.07 1.49 -0.13 0.00 -2.87 0.00 0.00 58.31 56.72 1x1f n LYS 139 Cb 0.39 -2.35 -0.06 0.00 -1.84 0.00 0.00 35.03 31.17 1x1f n LYS 139 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1x1f h ARG 140 N 0.00 0.38 -0.09 1.97 2.43 -1.25 -3.08 114.38 114.73 1x1f h ARG 140 Ca 0.59 -0.43 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1x1f h ARG 140 Cb 1.18 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1x1f h ARG 140 CO -0.94 1.11 0.11 0.07 -1.51 0.00 0.00 179.97 178.81 1x1f h ARG 141 N 0.20 0.00 0.00 0.20 -0.00 1.40 -3.16 114.38 113.03 1x1f h ARG 141 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1x1f h ARG 141 Cb 1.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.60 1x1f h ARG 141 CO 0.17 0.00 0.00 -0.89 -0.00 0.00 0.00 179.97 179.25 1x1f n ILE 142 N -3.77 0.00 -0.11 0.08 5.41 0.11 -1.99 119.36 119.09 1x1f n ILE 142 Ca -0.01 0.88 -0.03 0.00 1.00 0.00 0.00 62.75 64.59 1x1f n ILE 142 Cb 0.20 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.45 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 -0.55 -0.12 -3.95 0.38 1.02 -1.20 -4.02 120.64 112.20 1x1f n GLU 143 Ca 0.00 1.05 -0.35 0.00 -0.02 0.00 0.00 57.16 57.84 1x1f n GLU 143 Cb 0.00 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 29.71 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x1f s SER 144 N -3.73 4.24 0.26 1.62 0.15 -1.20 -5.08 113.70 109.96 1x1f s SER 144 Ca -0.03 -0.75 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 1x1f s SER 144 Cb 0.03 -1.67 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 1x1f s SER 144 CO 0.17 -0.10 0.42 0.61 1.20 0.00 0.00 173.24 175.54 1x1f n GLY 145 N 4.70 1.95 3.82 9.45 0.00 -0.84 -4.05 105.19 120.22 1x1f n GLY 145 Ca -0.17 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.35 2.98 0.38 1.61 0.04 -1.26 -5.06 135.00 131.34 1x1f s PRO 146 Ca 0.16 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 62.17 1x1f s PRO 146 Cb -0.02 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x1f s PRO 146 CO 0.12 -1.07 0.60 -1.54 0.04 0.00 0.00 177.00 175.15 1x1f s SER 147 N -3.73 6.20 0.35 6.66 1.04 -1.26 -5.02 113.70 117.94 1x1f s SER 147 Ca 0.58 0.46 -0.24 0.00 0.48 0.00 0.00 55.95 57.24 1x1f s SER 147 Cb -0.14 -1.95 -0.15 0.00 0.10 0.00 0.00 66.02 63.88 1x1f s SER 147 CO 0.54 -0.41 0.38 -1.54 0.98 0.00 0.00 173.24 173.19 1x1f n SER 148 N -1.89 -1.65 0.00 7.02 3.41 -1.26 -5.25 113.62 113.99 1x1f n SER 148 Ca -0.03 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 1x1f n SER 148 Cb 0.56 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49