#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdo s ALA 2 N 0.00 3.83 0.26 3.04 0.00 -1.26 -5.00 121.76 122.63 1hdo s ALA 2 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1hdo s ALA 2 Cb 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 23.12 20.98 1hdo s ALA 2 CO 0.00 0.52 1.63 0.08 0.00 0.00 0.00 175.76 177.99 1hdo s VAL 3 N -1.79 2.08 0.00 0.00 1.01 -1.26 -4.87 120.40 115.56 1hdo s VAL 3 Ca 0.39 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1hdo s VAL 3 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1hdo s VAL 3 CO 0.28 0.01 0.00 1.17 0.00 0.00 0.00 175.10 176.56 1hdo n LYS 4 N 2.81 0.00 -3.79 2.72 3.00 -1.26 -5.00 118.16 116.64 1hdo n LYS 4 Ca 0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.06 1hdo n LYS 4 Cb 0.37 -0.83 -0.11 0.00 0.00 0.00 0.00 35.03 34.46 1hdo n LYS 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1hdo s LYS 5 N -1.81 3.90 0.08 1.64 1.02 -1.26 -0.86 119.74 122.45 1hdo s LYS 5 Ca 0.00 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.67 1hdo s LYS 5 Cb 0.00 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1hdo s LYS 5 CO 0.00 0.02 -0.13 0.96 -0.92 0.00 0.00 175.35 175.28 1hdo s ILE 6 N 1.11 1.07 -0.12 2.17 -4.36 -0.63 -0.20 121.20 120.24 1hdo s ILE 6 Ca 0.05 -1.44 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1hdo s ILE 6 Cb -0.14 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 1hdo s ILE 6 CO 0.04 -0.35 0.14 0.00 0.24 0.00 0.00 174.94 175.01 1hdo s ALA 7 N -1.70 3.87 -0.13 2.27 0.00 -0.89 -0.79 121.76 124.40 1hdo s ALA 7 Ca 0.01 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1hdo s ALA 7 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1hdo s ALA 7 CO 0.02 0.62 -0.20 0.42 0.00 0.00 0.00 175.76 176.61 1hdo s ILE 8 N -1.02 2.29 -0.14 0.00 1.01 -0.07 -0.82 121.20 122.45 1hdo s ILE 8 Ca 0.15 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1hdo s ILE 8 Cb -0.12 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1hdo s ILE 8 CO 0.04 0.54 0.11 -0.36 0.00 0.00 0.00 174.94 175.27 1hdo s PHE 9 N 0.65 3.45 -0.24 3.97 0.08 -0.16 -3.36 117.98 122.37 1hdo s PHE 9 Ca -0.10 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1hdo s PHE 9 Cb -0.16 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1hdo s PHE 9 CO 0.02 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1hdo n GLY 10 N 2.59 0.30 0.25 4.36 0.00 -1.26 -0.45 105.19 110.96 1hdo n GLY 10 Ca -0.18 -0.80 0.17 0.00 0.00 0.00 0.00 46.02 45.21 1hdo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdo h ALA 11 N 0.11 1.00 -0.01 4.61 0.00 -1.83 -2.45 119.26 120.70 1hdo h ALA 11 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hdo h ALA 11 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1hdo h ALA 11 CO 0.08 0.00 -0.09 0.25 0.00 0.00 0.00 179.25 179.49 1hdo n THR 12 N -2.83 0.00 -2.00 0.00 -2.24 -1.26 -1.27 114.28 104.68 1hdo n THR 12 Ca 0.00 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1hdo n THR 12 Cb 0.23 0.56 0.17 0.00 -2.10 0.00 0.00 70.33 69.20 1hdo n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hdo n GLY 13 N 1.24 -1.06 0.23 3.38 0.00 -0.92 -4.70 105.19 103.37 1hdo n GLY 13 Ca 0.16 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1hdo n GLY 13 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1hdo h GLN 14 N 0.00 0.74 0.10 1.61 3.07 -1.92 -0.03 115.11 118.69 1hdo h GLN 14 Ca -0.38 -0.17 -0.26 0.00 0.09 0.00 0.00 58.65 57.93 1hdo h GLN 14 Cb 1.10 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 28.56 1hdo h GLN 14 CO 0.29 0.72 -1.17 1.15 0.09 0.00 0.00 178.83 179.90 1hdo h THR 15 N 0.63 1.46 -0.84 1.86 2.02 -1.89 -3.33 112.91 112.83 1hdo h THR 15 Ca 0.15 -2.86 0.00 0.00 0.77 0.00 0.00 66.41 64.47 1hdo h THR 15 Cb 0.30 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 1hdo h THR 15 CO -0.00 0.84 0.53 1.23 0.37 0.00 0.00 175.52 178.49 1hdo h GLY 16 N 1.38 1.20 0.95 2.16 0.00 -1.57 -0.72 103.07 106.47 1hdo h GLY 16 Ca -0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1hdo h GLY 16 CO 0.20 0.46 0.17 1.41 0.00 0.00 0.00 176.54 178.78 1hdo h LEU 17 N 1.15 0.45 -0.34 3.11 3.38 0.39 0.18 115.31 123.63 1hdo h LEU 17 Ca 0.30 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1hdo h LEU 17 Cb -0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1hdo h LEU 17 CO -0.06 0.44 -0.82 0.00 0.09 0.00 0.00 178.44 178.09 1hdo h THR 18 N 0.43 1.44 -0.60 0.22 1.03 -1.65 -0.97 112.91 112.82 1hdo h THR 18 Ca 0.12 -2.42 -0.00 0.00 -0.01 0.00 0.00 66.41 64.10 1hdo h THR 18 Cb 0.10 2.33 -0.03 0.00 -1.07 0.00 0.00 68.15 69.49 1hdo h THR 18 CO -0.02 0.71 0.36 0.74 -0.01 0.00 0.00 175.52 177.31 1hdo h THR 19 N 0.17 1.18 -0.04 0.00 2.02 -0.80 -0.12 112.91 115.31 1hdo h THR 19 Ca -0.04 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1hdo h THR 19 Cb 1.43 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1hdo h THR 19 CO 0.13 0.18 0.02 0.25 0.37 0.00 0.00 175.52 176.47 1hdo h LEU 20 N 0.80 0.04 -0.43 2.58 5.85 -0.54 0.94 115.31 124.57 1hdo h LEU 20 Ca 0.21 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1hdo h LEU 20 Cb -0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1hdo h LEU 20 CO -0.04 0.06 0.27 0.00 -0.34 0.00 0.00 178.44 178.39 1hdo h ALA 21 N 0.98 0.54 -0.61 1.25 0.00 -0.98 -1.11 119.26 119.33 1hdo h ALA 21 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hdo h ALA 21 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1hdo h ALA 21 CO -0.00 -0.04 0.35 1.96 0.00 0.00 0.00 179.25 181.51 1hdo h GLN 22 N 0.54 0.83 -0.46 0.00 4.20 -0.90 -0.78 115.11 118.54 1hdo h GLN 22 Ca 0.16 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1hdo h GLN 22 Cb -0.03 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1hdo h GLN 22 CO -0.06 0.62 0.14 0.00 -0.67 0.00 0.00 178.83 178.86 1hdo h ALA 23 N 1.17 0.60 -0.43 3.87 0.00 -0.30 0.02 119.26 124.19 1hdo h ALA 23 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hdo h ALA 23 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hdo h ALA 23 CO -0.04 0.25 0.11 0.28 0.00 0.00 0.00 179.25 179.85 1hdo h VAL 24 N 0.60 1.23 -0.31 0.00 2.07 -1.07 -1.67 116.25 117.10 1hdo h VAL 24 Ca 0.15 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1hdo h VAL 24 Cb 0.27 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1hdo h VAL 24 CO -0.00 0.28 0.11 -0.61 0.02 0.00 0.00 177.57 177.37 1hdo h GLN 25 N 0.56 0.43 0.00 1.57 5.75 -0.84 -1.75 115.11 120.83 1hdo h GLN 25 Ca 0.13 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1hdo h GLN 25 Cb 0.31 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1hdo h GLN 25 CO 0.00 0.37 0.00 0.00 -2.65 0.00 0.00 178.83 176.55 1hdo n ALA 26 N -2.48 2.09 0.00 3.38 0.00 -0.03 -4.90 120.51 118.56 1hdo n ALA 26 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1hdo n ALA 26 Cb 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1hdo n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdo n GLY 27 N 0.96 0.76 3.78 0.00 0.00 -0.66 -5.08 105.19 104.96 1hdo n GLY 27 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1hdo n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hdo s TYR 28 N -2.00 2.84 -0.51 1.61 2.02 -0.65 -4.99 117.35 115.66 1hdo s TYR 28 Ca 0.00 1.56 -0.19 0.00 -0.37 0.00 0.00 57.07 58.07 1hdo s TYR 28 Cb 0.00 -3.19 0.07 0.00 -0.40 0.00 0.00 41.96 38.43 1hdo s TYR 28 CO 0.00 -1.21 0.61 -2.00 -1.57 0.00 0.00 175.55 171.38 1hdo s GLU 29 N -3.20 3.10 -0.15 -0.62 2.12 -0.04 -4.48 118.70 115.43 1hdo s GLU 29 Ca 0.69 -1.00 -0.05 0.00 0.36 0.00 0.00 54.97 54.98 1hdo s GLU 29 Cb -0.21 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.02 1hdo s GLU 29 CO 0.24 -1.25 0.02 0.08 -0.54 0.00 0.00 175.26 173.82 1hdo s VAL 30 N 2.54 4.44 -0.09 3.70 1.01 -1.26 -1.60 120.40 129.13 1hdo s VAL 30 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1hdo s VAL 30 Cb -0.20 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1hdo s VAL 30 CO 0.11 0.52 -0.11 -0.89 0.00 0.00 0.00 175.10 174.72 1hdo s THR 31 N -0.03 3.29 0.09 3.92 2.01 0.03 -0.91 115.64 124.05 1hdo s THR 31 Ca 0.04 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1hdo s THR 31 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1hdo s THR 31 CO 0.02 0.56 -0.24 0.68 -0.69 0.00 0.00 174.62 174.95 1hdo s VAL 32 N -0.33 1.94 -0.25 3.82 -7.23 -0.46 -0.90 120.40 117.00 1hdo s VAL 32 Ca 0.04 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.63 1hdo s VAL 32 Cb -0.13 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1hdo s VAL 32 CO 0.02 0.13 0.08 -0.22 -0.31 0.00 0.00 175.10 174.80 1hdo s LEU 33 N -1.65 3.50 0.01 1.32 2.96 -1.21 -0.33 118.68 123.27 1hdo s LEU 33 Ca 0.10 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1hdo s LEU 33 Cb -0.10 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1hdo s LEU 33 CO 0.04 -0.03 -0.10 0.68 -1.32 0.00 0.00 176.35 175.62 1hdo s VAL 34 N 1.60 0.75 0.24 1.68 -7.23 -0.12 -4.45 120.40 112.87 1hdo s VAL 34 Ca 0.06 -0.56 0.10 0.00 -1.81 0.00 0.00 61.98 59.77 1hdo s VAL 34 Cb -0.15 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.08 1hdo s VAL 34 CO 0.04 0.10 1.55 0.03 -0.31 0.00 0.00 175.10 176.52 1hdo h ARG 35 N 5.59 0.00 -2.48 4.82 3.08 -1.80 -0.51 114.38 123.08 1hdo h ARG 35 Ca -0.32 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.35 1hdo h ARG 35 Cb 1.18 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.87 1hdo h ARG 35 CO 0.48 0.68 -0.67 0.34 -1.07 0.00 0.00 179.97 179.73 1hdo s ASP 36 N -6.81 1.96 0.35 7.04 -1.08 -1.26 -4.66 116.67 112.22 1hdo s ASP 36 Ca -0.01 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.66 1hdo s ASP 36 Cb 0.12 0.24 1.15 0.00 -1.46 0.00 0.00 42.92 42.97 1hdo s ASP 36 CO 0.77 -0.37 1.80 0.77 0.52 0.00 0.00 175.17 178.66 1hdo h SER 37 N 8.32 0.00 0.54 -0.34 4.64 -1.98 -2.08 113.55 122.66 1hdo h SER 37 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1hdo h SER 37 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hdo h SER 37 CO 0.33 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.06 1hdo h SER 38 N 0.00 0.00 0.17 4.97 4.64 -2.00 -2.16 113.55 119.18 1hdo h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hdo h SER 38 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1hdo h SER 38 CO 0.00 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 176.45 1hdo n ARG 39 N -2.34 1.00 -3.23 4.77 1.74 -0.78 -4.77 116.66 113.04 1hdo n ARG 39 Ca 0.01 -0.32 -0.37 0.00 -0.77 0.00 0.00 57.85 56.40 1hdo n ARG 39 Cb 0.18 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1hdo n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hdo s LEU 40 N -2.22 4.40 0.59 0.55 1.43 -0.81 -4.84 118.68 117.77 1hdo s LEU 40 Ca 0.37 1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 1hdo s LEU 40 Cb 0.21 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1hdo s LEU 40 CO 0.41 0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.97 1hdo s PRO 41 N -1.73 3.62 -0.12 1.29 0.04 -1.26 -5.01 135.00 131.83 1hdo s PRO 41 Ca 0.38 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 1hdo s PRO 41 Cb -0.17 -2.09 -0.26 0.00 0.04 0.00 0.00 34.50 32.03 1hdo s PRO 41 CO 0.20 -0.55 0.53 0.77 0.04 0.00 0.00 177.00 178.00 1hdo h SER 42 N 0.14 0.28 -4.21 6.66 0.02 -1.96 -3.48 113.55 111.00 1hdo h SER 42 Ca -0.45 -0.82 -0.50 0.00 -0.84 0.00 0.00 61.79 59.19 1hdo h SER 42 Cb 1.19 -0.09 0.07 0.00 0.14 0.00 0.00 62.40 63.72 1hdo h SER 42 CO 0.61 1.52 0.38 -1.61 -1.14 0.00 0.00 176.83 176.58 1hdo s GLU 43 N -2.43 3.20 0.66 3.45 2.02 -1.26 -4.90 118.70 119.45 1hdo s GLU 43 Ca -0.21 1.21 0.00 0.00 0.02 0.00 0.00 54.97 55.99 1hdo s GLU 43 Cb 0.04 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1hdo s GLU 43 CO 0.73 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1hdo n GLY 44 N -0.99 -2.17 3.76 -1.39 0.00 -1.26 -4.90 105.19 98.24 1hdo n GLY 44 Ca 0.09 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1hdo n GLY 44 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hdo s PRO 45 N -0.23 3.20 -0.01 1.61 0.02 -1.26 -5.01 135.00 133.32 1hdo s PRO 45 Ca 0.00 1.93 0.06 0.00 0.02 0.00 0.00 61.00 63.01 1hdo s PRO 45 Cb 0.00 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1hdo s PRO 45 CO 0.00 -1.05 -0.20 1.03 -0.33 0.00 0.00 177.00 176.45 1hdo s ARG 46 N -3.06 1.58 0.69 5.54 1.81 -1.26 -4.76 118.95 119.50 1hdo s ARG 46 Ca 0.73 -0.75 -0.16 0.00 -1.72 0.00 0.00 55.73 53.82 1hdo s ARG 46 Cb -0.33 -1.56 0.02 0.00 -0.45 0.00 0.00 34.95 32.63 1hdo s ARG 46 CO 0.37 0.42 1.21 -1.25 -0.68 0.00 0.00 175.30 175.38 1hdo s PRO 47 N -0.58 2.38 0.23 3.54 0.04 -1.26 -4.93 135.00 134.41 1hdo s PRO 47 Ca 0.08 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.94 1hdo s PRO 47 Cb -0.08 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 32.81 1hdo s PRO 47 CO -0.00 -1.66 1.53 0.00 0.04 0.00 0.00 177.00 176.91 1hdo h ALA 48 N 0.03 0.80 -3.52 8.56 0.00 -1.38 -3.45 119.26 120.30 1hdo h ALA 48 Ca -0.48 -0.57 -0.25 0.00 0.00 0.00 0.00 54.91 53.60 1hdo h ALA 48 Cb 1.30 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 1hdo h ALA 48 CO 0.51 0.76 -0.68 -1.01 0.00 0.00 0.00 179.25 178.84 1hdo s HIS 49 N -3.66 -0.04 -0.16 0.00 3.76 -0.70 -5.00 115.29 109.49 1hdo s HIS 49 Ca -0.04 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1hdo s HIS 49 Cb 0.12 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.73 1hdo s HIS 49 CO 0.80 -0.07 -0.19 0.08 -0.85 0.00 0.00 174.74 174.50 1hdo s VAL 50 N 0.63 1.96 -0.18 -0.90 1.01 -1.26 -1.35 120.40 120.30 1hdo s VAL 50 Ca -0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1hdo s VAL 50 Cb -0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1hdo s VAL 50 CO -0.02 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.91 1hdo s VAL 51 N 1.17 4.08 -0.25 2.92 1.01 0.55 -4.97 120.40 124.90 1hdo s VAL 51 Ca 0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1hdo s VAL 51 Cb -0.14 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1hdo s VAL 51 CO -0.09 0.45 0.47 -0.69 0.00 0.00 0.00 175.10 175.24 1hdo s VAL 52 N 0.69 5.11 -2.75 2.92 1.01 -1.26 -0.95 120.40 125.17 1hdo s VAL 52 Ca -0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1hdo s VAL 52 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1hdo s VAL 52 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1hdo n GLY 53 N 4.39 -0.78 3.05 4.51 0.00 -0.20 -4.93 105.19 111.22 1hdo n GLY 53 Ca -0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1hdo n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hdo s ASP 54 N -4.00 1.52 0.31 1.61 -1.08 -1.26 -2.62 116.67 111.15 1hdo s ASP 54 Ca 0.00 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1hdo s ASP 54 Cb 0.00 -0.40 1.11 0.00 -1.46 0.00 0.00 42.92 42.18 1hdo s ASP 54 CO 0.00 0.10 1.72 1.62 0.52 0.00 0.00 175.17 179.13 1hdo h VAL 55 N 5.31 0.00 -0.00 1.11 3.04 -1.96 -1.42 116.25 122.33 1hdo h VAL 55 Ca -0.33 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1hdo h VAL 55 Cb 1.17 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1hdo h VAL 55 CO 0.48 0.00 -0.13 0.18 -1.01 0.00 0.00 177.57 177.09 1hdo n LEU 56 N -2.31 0.27 -4.42 3.16 4.77 -1.26 -4.40 117.00 112.80 1hdo n LEU 56 Ca 0.01 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 1hdo n LEU 56 Cb 0.16 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1hdo n LEU 56 CO 0.16 0.06 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.02 1hdo s GLN 57 N -2.75 3.08 0.29 3.23 -1.52 -0.53 -4.98 119.66 116.47 1hdo s GLN 57 Ca 0.21 -0.91 0.02 0.00 -1.95 0.00 0.00 55.36 52.73 1hdo s GLN 57 Cb 0.19 -3.72 0.60 0.00 -0.22 0.00 0.00 33.01 29.86 1hdo s GLN 57 CO 0.53 -0.59 1.81 0.00 -0.25 0.00 0.00 175.29 176.79 1hdo h ALA 58 N 8.44 1.53 -0.32 6.09 0.00 -1.84 -0.88 119.26 132.28 1hdo h ALA 58 Ca -0.28 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1hdo h ALA 58 Cb 1.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1hdo h ALA 58 CO 0.66 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.86 1hdo h ALA 59 N 1.57 1.13 -0.34 0.00 0.00 -1.93 0.23 119.26 119.92 1hdo h ALA 59 Ca 0.52 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1hdo h ALA 59 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1hdo h ALA 59 CO -0.31 0.54 -0.17 -0.44 0.00 0.00 0.00 179.25 178.87 1hdo h ASP 60 N 0.51 0.74 -0.55 0.00 3.32 -1.45 -1.97 116.42 117.02 1hdo h ASP 60 Ca 0.09 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1hdo h ASP 60 Cb 0.57 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1hdo h ASP 60 CO 0.04 0.98 0.20 0.58 -1.72 0.00 0.00 179.24 179.32 1hdo h VAL 61 N 0.49 1.23 -0.64 -1.35 2.07 -1.03 -2.62 116.25 114.39 1hdo h VAL 61 Ca 0.07 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1hdo h VAL 61 Cb 0.71 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1hdo h VAL 61 CO 0.05 0.28 0.41 -0.78 0.02 0.00 0.00 177.57 177.55 1hdo h ASP 62 N 0.75 0.69 0.04 0.57 1.82 -0.40 -0.44 116.42 119.45 1hdo h ASP 62 Ca 0.18 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 1hdo h ASP 62 Cb 0.23 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1hdo h ASP 62 CO -0.01 0.49 -0.09 0.11 -1.61 0.00 0.00 179.24 178.12 1hdo h LYS 63 N 0.82 0.13 0.08 0.28 1.57 -1.21 -1.34 116.57 116.90 1hdo h LYS 63 Ca 0.25 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.74 1hdo h LYS 63 Cb -0.03 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.28 1hdo h LYS 63 CO -0.08 0.23 -1.15 1.15 -0.57 0.00 0.00 179.45 179.03 1hdo h THR 64 N 0.13 1.36 0.00 -0.16 2.02 -0.90 -3.33 112.91 112.02 1hdo h THR 64 Ca 0.03 -2.56 -0.16 0.00 0.77 0.00 0.00 66.41 64.48 1hdo h THR 64 Cb 0.25 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1hdo h THR 64 CO 0.01 0.77 -0.96 0.58 0.37 0.00 0.00 175.52 176.30 1hdo h VAL 65 N 0.23 1.00 -1.76 3.16 2.07 -0.82 -3.44 116.25 116.69 1hdo h VAL 65 Ca -0.14 -2.53 -0.67 0.00 0.82 0.00 0.00 66.70 64.18 1hdo h VAL 65 Cb 1.82 2.44 0.05 0.00 -1.52 0.00 0.00 31.29 34.08 1hdo h VAL 65 CO 0.21 0.57 0.54 0.00 0.02 0.00 0.00 177.57 178.90 1hdo n ALA 66 N -2.33 -0.57 -0.68 1.67 0.00 -0.53 -1.96 120.51 116.10 1hdo n ALA 66 Ca -0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1hdo n ALA 66 Cb 0.84 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1hdo n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdo n GLY 67 N 2.77 1.20 3.88 0.00 0.00 -1.26 -5.02 105.19 106.75 1hdo n GLY 67 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1hdo n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hdo s GLN 68 N -0.17 3.60 0.00 1.61 -1.52 -0.83 -4.91 119.66 117.45 1hdo s GLN 68 Ca 0.00 0.65 0.16 0.00 -1.95 0.00 0.00 55.36 54.22 1hdo s GLN 68 Cb 0.00 -2.14 -0.18 0.00 -0.22 0.00 0.00 33.01 30.47 1hdo s GLN 68 CO 0.00 -0.49 0.70 -0.25 -0.25 0.00 0.00 175.29 175.00 1hdo n ASP 69 N -2.63 0.77 -3.60 5.90 8.00 0.72 -4.72 116.55 121.00 1hdo n ASP 69 Ca 0.05 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.81 1hdo n ASP 69 Cb 0.54 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.82 1hdo n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hdo s ALA 70 N -2.80 -1.52 -0.04 2.24 0.00 -1.14 -4.38 121.76 114.13 1hdo s ALA 70 Ca -0.04 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1hdo s ALA 70 Cb 0.08 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 1hdo s ALA 70 CO 0.82 -0.87 -0.15 0.08 0.00 0.00 0.00 175.76 175.64 1hdo s VAL 71 N -3.68 1.26 -0.14 0.00 1.01 -0.33 -2.09 120.40 116.44 1hdo s VAL 71 Ca 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1hdo s VAL 71 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1hdo s VAL 71 CO -0.05 0.37 -0.07 -0.63 0.00 0.00 0.00 175.10 174.72 1hdo s ILE 72 N 0.05 3.59 -0.22 2.22 1.01 0.00 -0.86 121.20 126.99 1hdo s ILE 72 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1hdo s ILE 72 Cb -0.10 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1hdo s ILE 72 CO 0.02 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 1hdo s VAL 73 N 0.24 2.69 -0.17 2.92 1.01 -0.06 -0.99 120.40 126.04 1hdo s VAL 73 Ca -0.05 -0.94 0.18 0.00 0.00 0.00 0.00 61.98 61.17 1hdo s VAL 73 Cb -0.14 -2.29 0.46 0.00 0.00 0.00 0.00 36.38 34.40 1hdo s VAL 73 CO 0.04 0.32 1.17 0.18 0.00 0.00 0.00 175.10 176.81 1hdo n LEU 74 N 4.66 2.25 -4.73 3.92 4.77 0.40 -1.19 117.00 127.08 1hdo n LEU 74 Ca -0.18 -3.20 -0.35 0.00 -0.03 0.00 0.00 56.01 52.25 1hdo n LEU 74 Cb 0.48 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1hdo n LEU 74 CO 0.27 1.14 0.82 -0.76 -1.33 0.00 0.00 177.39 177.53 1hdo s LEU 75 N -2.43 3.46 0.00 2.23 1.43 -1.23 -4.38 118.68 117.75 1hdo s LEU 75 Ca 0.36 2.39 -0.18 0.00 -1.03 0.00 0.00 54.13 55.67 1hdo s LEU 75 Cb 0.37 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 42.06 1hdo s LEU 75 CO -0.07 -2.00 0.85 0.61 0.23 0.00 0.00 176.35 175.97 1hdo n GLY 76 N 0.45 0.62 0.44 -3.19 0.00 -1.26 -4.99 105.19 97.26 1hdo n GLY 76 Ca 0.14 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1hdo n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hdo n THR 77 N -0.60 1.62 0.00 2.61 -2.24 -1.26 -4.97 114.28 109.44 1hdo n THR 77 Ca 0.00 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1hdo n THR 77 Cb 0.44 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1hdo n THR 77 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hdo n ARG 78 N -0.51 0.00 -0.27 -0.78 1.74 -1.26 -1.28 116.66 114.30 1hdo n ARG 78 Ca 0.13 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 1hdo n ARG 78 Cb 0.59 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.30 1hdo n ARG 78 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hdo n ASN 79 N 5.42 3.32 -4.59 0.55 3.02 -1.26 -4.88 115.26 116.84 1hdo n ASN 79 Ca 0.00 -1.98 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 1hdo n ASN 79 Cb 0.00 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 1hdo n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hdo s ASP 80 N -1.17 6.62 0.00 6.41 -1.08 -0.40 -4.91 116.67 122.13 1hdo s ASP 80 Ca 0.41 0.44 0.18 0.00 -0.52 0.00 0.00 52.55 53.07 1hdo s ASP 80 Cb 0.22 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 39.70 1hdo s ASP 80 CO 0.30 -0.86 1.39 0.18 0.52 0.00 0.00 175.17 176.69 1hdo n LEU 81 N 6.75 3.43 -4.80 -1.34 4.77 -1.26 -4.75 117.00 119.80 1hdo n LEU 81 Ca 0.06 -1.86 -0.31 0.00 -0.03 0.00 0.00 56.01 53.87 1hdo n LEU 81 Cb 0.48 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1hdo n LEU 81 CO 0.58 0.83 0.71 -0.94 -1.33 0.00 0.00 177.39 177.24 1hdo s SER 82 N -1.08 5.03 0.30 -1.43 1.04 -1.26 -4.43 113.70 111.87 1hdo s SER 82 Ca 0.37 1.66 -0.27 0.00 0.48 0.00 0.00 55.95 58.18 1hdo s SER 82 Cb 0.20 -2.47 -0.14 0.00 0.10 0.00 0.00 66.02 63.71 1hdo s SER 82 CO 0.26 -1.68 0.94 -2.65 0.98 0.00 0.00 173.24 171.09 1hdo n PRO 83 N -3.28 1.19 -3.54 4.02 -0.02 -1.26 -4.59 135.00 127.52 1hdo n PRO 83 Ca 0.08 0.42 -0.17 0.00 -2.02 0.00 0.00 63.50 61.81 1hdo n PRO 83 Cb 0.54 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 1hdo n PRO 83 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1hdo s THR 84 N -1.10 0.00 -0.02 3.45 -1.32 -1.26 -5.02 115.64 110.38 1hdo s THR 84 Ca 0.60 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.10 1hdo s THR 84 Cb -0.70 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.32 1hdo s THR 84 CO 0.59 0.00 0.87 0.35 -2.21 0.00 0.00 174.62 174.23 1hdo n THR 85 N 1.20 0.76 0.04 5.08 -2.24 -1.26 -4.56 114.28 113.29 1hdo n THR 85 Ca -0.18 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.69 1hdo n THR 85 Cb 0.57 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1hdo n THR 85 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1hdo h VAL 86 N 1.30 0.80 -0.25 2.28 2.07 -1.97 0.20 116.25 120.68 1hdo h VAL 86 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1hdo h VAL 86 Cb 0.76 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1hdo h VAL 86 CO 0.00 0.00 0.07 0.24 0.02 0.00 0.00 177.57 177.90 1hdo h MET 87 N -0.12 0.39 -0.38 1.57 2.86 -1.91 0.76 114.93 118.09 1hdo h MET 87 Ca 0.04 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1hdo h MET 87 Cb 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1hdo h MET 87 CO -0.10 0.47 -0.37 0.66 1.06 0.00 0.00 176.91 178.63 1hdo h SER 88 N 0.23 0.96 -0.52 1.22 4.64 -1.74 0.82 113.55 119.16 1hdo h SER 88 Ca 0.08 -0.43 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 1hdo h SER 88 Cb 0.25 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1hdo h SER 88 CO -0.00 1.22 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.80 1hdo h GLU 89 N 0.74 0.98 -0.61 4.77 4.39 -0.94 -0.08 114.58 123.84 1hdo h GLU 89 Ca 0.06 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.47 1hdo h GLU 89 Cb 0.95 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 1hdo h GLU 89 CO 0.09 0.99 0.38 0.78 -1.16 0.00 0.00 179.01 180.09 1hdo h GLY 90 N 0.98 0.87 1.07 -3.84 0.00 -0.60 -2.07 103.07 99.49 1hdo h GLY 90 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1hdo h GLY 90 CO 0.03 0.25 0.46 0.00 0.00 0.00 0.00 176.54 177.28 1hdo h ALA 91 N 1.26 1.18 -0.61 3.60 0.00 -0.36 0.54 119.26 124.88 1hdo h ALA 91 Ca 0.24 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1hdo h ALA 91 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 1hdo h ALA 91 CO -0.10 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.13 1hdo h ARG 92 N 1.21 0.59 -0.68 0.00 3.08 -0.64 0.24 114.38 118.18 1hdo h ARG 92 Ca 0.30 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 1hdo h ARG 92 Cb 0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1hdo h ARG 92 CO -0.05 0.39 0.12 -0.91 -1.07 0.00 0.00 179.97 178.46 1hdo h ASN 93 N 0.61 1.07 -0.34 7.04 2.35 -0.65 -2.01 115.58 123.65 1hdo h ASN 93 Ca 0.27 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1hdo h ASN 93 Cb 0.18 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1hdo h ASN 93 CO -0.18 1.05 0.15 0.40 -1.65 0.00 0.00 177.43 177.20 1hdo h ILE 94 N 1.05 1.17 -0.48 2.81 2.04 -0.41 -0.71 117.51 122.98 1hdo h ILE 94 Ca 0.21 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1hdo h ILE 94 Cb 0.43 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1hdo h ILE 94 CO 0.01 0.19 0.29 0.58 0.00 0.00 0.00 178.15 179.22 1hdo h VAL 95 N 0.41 1.15 -0.69 1.67 2.07 -0.85 0.70 116.25 120.71 1hdo h VAL 95 Ca 0.12 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1hdo h VAL 95 Cb 0.15 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1hdo h VAL 95 CO -0.01 0.15 0.19 0.00 0.02 0.00 0.00 177.57 177.92 1hdo h ALA 96 N 1.14 1.03 -0.33 1.67 0.00 -1.15 -0.72 119.26 120.90 1hdo h ALA 96 Ca 0.17 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1hdo h ALA 96 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1hdo h ALA 96 CO -0.03 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 1hdo h ALA 97 N 1.17 0.71 -0.38 0.00 0.00 -0.75 -0.42 119.26 119.58 1hdo h ALA 97 Ca 0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hdo h ALA 97 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hdo h ALA 97 CO -0.00 0.66 0.23 0.52 0.00 0.00 0.00 179.25 180.66 1hdo h MET 98 N 0.65 0.52 -0.34 0.00 2.86 -0.51 -1.55 114.93 116.56 1hdo h MET 98 Ca 0.06 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1hdo h MET 98 Cb 0.93 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1hdo h MET 98 CO 0.08 0.39 -0.27 0.87 1.06 0.00 0.00 176.91 179.05 1hdo h LYS 99 N 0.50 0.69 0.00 1.72 1.57 -0.95 0.11 116.57 120.21 1hdo h LYS 99 Ca 0.14 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1hdo h LYS 99 Cb 0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1hdo h LYS 99 CO -0.03 0.89 -0.16 0.00 -0.57 0.00 0.00 179.45 179.59 1hdo h ALA 100 N 1.10 1.28 -0.12 3.86 0.00 -0.73 -3.20 119.26 121.45 1hdo h ALA 100 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hdo h ALA 100 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1hdo h ALA 100 CO 0.06 0.20 0.00 0.72 0.00 0.00 0.00 179.25 180.23 1hdo n HIS 101 N -3.68 0.15 -1.00 0.00 8.25 -0.61 -5.00 115.22 113.33 1hdo n HIS 101 Ca -0.02 -0.28 -0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1hdo n HIS 101 Cb 0.28 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 1hdo n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hdo n GLY 102 N 0.21 0.42 3.75 -1.41 0.00 0.21 -4.73 105.19 103.64 1hdo n GLY 102 Ca 0.05 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1hdo n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hdo s VAL 103 N -2.00 5.02 0.00 1.61 1.01 -0.27 -4.98 120.40 120.78 1hdo s VAL 103 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1hdo s VAL 103 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1hdo s VAL 103 CO 0.00 0.39 0.79 -0.67 0.00 0.00 0.00 175.10 175.61 1hdo n ASP 104 N 3.01 1.18 -3.87 3.32 2.03 -1.26 -4.38 116.55 116.58 1hdo n ASP 104 Ca -0.07 -1.59 -0.24 0.00 0.52 0.00 0.00 54.79 53.41 1hdo n ASP 104 Cb 0.51 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.74 1hdo n ASP 104 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1hdo s LYS 105 N -0.59 1.08 -0.03 -0.67 2.47 -1.26 -0.76 119.74 119.98 1hdo s LYS 105 Ca 0.00 -0.11 0.01 0.00 -1.56 0.00 0.00 55.97 54.31 1hdo s LYS 105 Cb 0.00 -1.20 0.01 0.00 -1.46 0.00 0.00 37.83 35.19 1hdo s LYS 105 CO 0.00 -0.21 -0.04 0.54 0.16 0.00 0.00 175.35 175.79 1hdo s VAL 106 N 1.54 0.47 -0.25 4.02 0.11 0.18 -1.18 120.40 125.28 1hdo s VAL 106 Ca -0.00 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1hdo s VAL 106 Cb -0.13 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1hdo s VAL 106 CO -0.04 0.18 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.11 1hdo s VAL 107 N 0.57 2.34 -0.02 2.04 1.01 -0.04 -1.19 120.40 125.10 1hdo s VAL 107 Ca -0.07 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1hdo s VAL 107 Cb -0.10 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1hdo s VAL 107 CO -0.00 0.11 -0.11 0.00 0.00 0.00 0.00 175.10 175.10 1hdo s ALA 108 N 1.19 0.96 -0.16 5.51 0.00 -0.67 -0.88 121.76 127.70 1hdo s ALA 108 Ca -0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 1hdo s ALA 108 Cb -0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1hdo s ALA 108 CO -0.06 0.18 0.43 0.00 0.00 0.00 0.00 175.76 176.31 1hdo n THR 110 N 4.01 0.00 -3.50 0.00 -2.24 0.30 -4.83 114.28 108.02 1hdo n THR 110 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1hdo n THR 110 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1hdo n THR 110 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hdo s SER 111 N 0.98 -0.50 0.60 3.42 0.15 -1.26 -4.51 113.70 112.58 1hdo s SER 111 Ca 0.00 0.28 0.37 0.00 0.70 0.00 0.00 55.95 57.30 1hdo s SER 111 Cb 0.00 0.47 2.04 0.00 -1.71 0.00 0.00 66.02 66.82 1hdo s SER 111 CO 0.00 -0.66 2.15 0.00 1.20 0.00 0.00 173.24 175.93 1hdo h ALA 112 N 2.38 1.06 -0.05 5.45 0.00 -0.59 -1.59 119.26 125.93 1hdo h ALA 112 Ca -0.26 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1hdo h ALA 112 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hdo h ALA 112 CO 0.35 -0.06 0.10 0.74 0.00 0.00 0.00 179.25 180.38 1hdo h PHE 113 N 0.00 0.00 -0.00 0.00 0.04 -1.89 0.66 116.94 115.76 1hdo h PHE 113 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hdo h PHE 113 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1hdo h PHE 113 CO 0.00 0.00 -0.03 1.28 -0.60 0.00 0.00 178.31 178.96 1hdo n LEU 114 N -3.42 0.23 -0.06 1.54 4.32 -0.60 -3.54 117.00 115.48 1hdo n LEU 114 Ca -0.02 0.05 -0.07 0.00 -0.02 0.00 0.00 56.01 55.96 1hdo n LEU 114 Cb 0.18 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 1hdo n LEU 114 CO 0.23 0.04 -0.86 0.18 -1.22 0.00 0.00 177.39 175.76 1hdo n LEU 115 N -0.99 1.77 -4.75 2.23 4.77 0.08 -5.05 117.00 115.06 1hdo n LEU 115 Ca 0.18 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1hdo n LEU 115 Cb 0.21 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1hdo n LEU 115 CO 0.21 0.51 0.69 0.26 -1.33 0.00 0.00 177.39 177.74 1hdo s TRP 116 N -2.24 2.39 0.02 -1.77 0.51 -0.34 -4.88 118.94 112.64 1hdo s TRP 116 Ca -0.12 0.90 -0.34 0.00 -2.12 0.00 0.00 56.10 54.42 1hdo s TRP 116 Cb 0.04 -3.34 -0.13 0.00 -0.81 0.00 0.00 33.47 29.23 1hdo s TRP 116 CO 0.32 -2.52 1.76 -3.47 -0.51 0.00 0.00 176.95 172.53 1hdo n ASP 117 N -3.89 3.32 0.00 2.95 -0.08 -1.26 -4.78 116.55 112.81 1hdo n ASP 117 Ca 0.06 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.47 1hdo n ASP 117 Cb 0.59 -1.40 0.57 0.00 2.34 0.00 0.00 41.12 43.22 1hdo n ASP 117 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1hdo n PRO 118 N 5.31 0.28 -0.08 -0.67 -0.04 -1.26 -1.77 135.00 136.78 1hdo n PRO 118 Ca 0.20 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1hdo n PRO 118 Cb 0.29 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.58 1hdo n PRO 118 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1hdo n THR 119 N -1.31 0.20 -2.38 0.52 -2.24 -1.26 -4.41 114.28 103.39 1hdo n THR 119 Ca 0.10 -0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.18 1hdo n THR 119 Cb 0.19 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1hdo n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hdo n LYS 120 N 0.73 3.39 -3.87 -0.78 5.02 -0.73 -5.01 118.16 116.91 1hdo n LYS 120 Ca 0.17 -4.39 -0.36 0.00 -2.02 0.00 0.00 58.31 51.72 1hdo n LYS 120 Cb 0.44 -2.22 -0.11 0.00 -0.02 0.00 0.00 35.03 33.12 1hdo n LYS 120 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hdo s VAL 121 N -5.24 4.66 0.29 -0.18 1.01 -1.26 -4.88 120.40 114.80 1hdo s VAL 121 Ca 0.48 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1hdo s VAL 121 Cb 0.40 -3.14 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 1hdo s VAL 121 CO -0.13 0.39 1.38 -2.65 0.00 0.00 0.00 175.10 174.09 1hdo n PRO 122 N 4.25 2.17 -0.34 2.72 -0.02 -1.26 -4.83 135.00 137.69 1hdo n PRO 122 Ca -0.16 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 1hdo n PRO 122 Cb 0.52 -2.41 0.37 0.00 -0.02 0.00 0.00 33.50 31.95 1hdo n PRO 122 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1hdo h PRO 123 N 3.57 0.59 0.00 0.52 0.11 -1.99 -0.55 132.00 134.24 1hdo h PRO 123 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hdo h PRO 123 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1hdo h PRO 123 CO 0.70 0.39 0.00 0.07 -0.21 0.00 0.00 178.00 178.95 1hdo h ARG 124 N 0.60 0.00 -0.14 1.05 0.11 -1.98 -2.15 114.38 111.87 1hdo h ARG 124 Ca 0.63 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.71 1hdo h ARG 124 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1hdo h ARG 124 CO -0.46 0.00 0.00 1.28 0.10 0.00 0.00 179.97 180.89 1hdo n LEU 125 N -3.08 3.15 -0.24 0.08 4.77 -0.23 -4.57 117.00 116.88 1hdo n LEU 125 Ca -0.00 -1.16 -0.08 0.00 -0.03 0.00 0.00 56.01 54.74 1hdo n LEU 125 Cb 0.24 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1hdo n LEU 125 CO 0.25 0.58 0.92 -0.61 -1.33 0.00 0.00 177.39 177.20 1hdo h GLN 126 N 4.64 1.11 -0.52 3.23 5.75 -1.21 -1.26 115.11 126.86 1hdo h GLN 126 Ca 0.00 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 1hdo h GLN 126 Cb 1.00 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1hdo h GLN 126 CO 0.00 1.00 0.18 0.00 -2.65 0.00 0.00 178.83 177.36 1hdo h ALA 127 N 1.06 0.68 -0.47 3.38 0.00 -1.80 0.16 119.26 122.27 1hdo h ALA 127 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1hdo h ALA 127 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hdo h ALA 127 CO 0.01 0.32 0.09 0.28 0.00 0.00 0.00 179.25 179.95 1hdo h VAL 128 N 0.71 1.24 -0.98 0.00 2.07 -1.76 -2.59 116.25 114.94 1hdo h VAL 128 Ca 0.17 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1hdo h VAL 128 Cb 0.25 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1hdo h VAL 128 CO -0.01 0.31 0.64 0.74 0.02 0.00 0.00 177.57 179.28 1hdo h THR 129 N 0.63 1.20 -0.55 2.57 2.02 -0.85 0.32 112.91 118.26 1hdo h THR 129 Ca 0.14 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1hdo h THR 129 Cb 0.36 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1hdo h THR 129 CO 0.01 0.23 0.32 0.44 0.37 0.00 0.00 175.52 176.89 1hdo h ASP 130 N 1.27 0.66 0.88 4.18 3.32 -0.40 0.28 116.42 126.61 1hdo h ASP 130 Ca 0.38 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.19 1hdo h ASP 130 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1hdo h ASP 130 CO -0.10 0.52 -0.95 -0.78 -1.72 0.00 0.00 179.24 176.20 1hdo h ASP 131 N 0.76 0.05 -0.86 6.45 3.58 -0.87 -1.59 116.42 123.95 1hdo h ASP 131 Ca 0.20 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1hdo h ASP 131 Cb -0.01 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 40.96 1hdo h ASP 131 CO -0.04 0.97 0.53 0.45 -2.88 0.00 0.00 179.24 178.27 1hdo h HIS 132 N 0.01 0.97 -0.43 0.28 3.86 -0.16 0.54 115.15 120.22 1hdo h HIS 132 Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1hdo h HIS 132 Cb 1.66 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.80 1hdo h HIS 132 CO 0.01 0.48 0.17 0.82 0.86 0.00 0.00 177.93 180.27 1hdo h ILE 133 N 0.95 1.21 -0.80 2.45 2.04 -0.74 0.72 117.51 123.33 1hdo h ILE 133 Ca 0.38 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1hdo h ILE 133 Cb 0.19 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1hdo h ILE 133 CO -0.18 0.24 0.53 0.03 0.00 0.00 0.00 178.15 178.77 1hdo h ARG 134 N 0.56 1.06 -0.53 2.37 3.08 -0.81 -1.15 114.38 118.96 1hdo h ARG 134 Ca 0.14 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1hdo h ARG 134 Cb 0.21 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1hdo h ARG 134 CO -0.01 0.71 0.23 1.98 -1.07 0.00 0.00 179.97 181.80 1hdo h MET 135 N 1.09 0.78 -0.73 0.04 4.05 -0.49 -1.52 114.93 118.16 1hdo h MET 135 Ca 0.29 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1hdo h MET 135 Cb -0.12 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.51 1hdo h MET 135 CO -0.06 0.67 0.48 1.25 0.23 0.00 0.00 176.91 179.48 1hdo h HIS 136 N 0.71 0.91 -0.35 1.39 -0.00 -0.66 -1.38 115.15 115.77 1hdo h HIS 136 Ca 0.18 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1hdo h HIS 136 Cb 0.17 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 1hdo h HIS 136 CO 0.00 0.57 0.22 -0.22 -0.00 0.00 0.00 177.93 178.50 1hdo h LYS 137 N 0.98 0.48 -0.60 5.26 3.64 -0.86 0.69 116.57 126.16 1hdo h LYS 137 Ca 0.27 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1hdo h LYS 137 Cb -0.10 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1hdo h LYS 137 CO -0.06 0.36 0.36 0.28 -2.27 0.00 0.00 179.45 178.11 1hdo h VAL 138 N 0.46 1.06 -0.21 2.00 2.07 -0.81 -0.73 116.25 120.10 1hdo h VAL 138 Ca 0.13 -0.24 -0.21 0.00 0.82 0.00 0.00 66.70 67.19 1hdo h VAL 138 Cb -0.00 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1hdo h VAL 138 CO -0.02 0.13 -0.68 -0.07 0.02 0.00 0.00 177.57 176.94 1hdo h LEU 139 N 0.71 0.96 -0.85 2.57 3.38 -0.99 -2.57 115.31 118.53 1hdo h LEU 139 Ca 0.24 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1hdo h LEU 139 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1hdo h LEU 139 CO -0.11 1.38 -0.49 0.08 0.09 0.00 0.00 178.44 179.39 1hdo h ARG 140 N 0.60 0.20 -0.00 1.13 0.11 -0.60 -2.82 114.38 112.99 1hdo h ARG 140 Ca -0.03 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1hdo h ARG 140 Cb 1.31 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1hdo h ARG 140 CO 0.15 0.65 -0.15 0.39 0.10 0.00 0.00 179.97 181.11 1hdo n GLU 141 N -3.96 0.61 0.25 0.08 1.02 -0.30 -4.06 120.64 114.29 1hdo n GLU 141 Ca -0.02 -0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1hdo n GLU 141 Cb 0.53 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 31.08 1hdo n GLU 141 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1hdo h SER 142 N 0.57 0.00 -0.04 1.62 4.64 -1.18 -3.46 113.55 115.70 1hdo h SER 142 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1hdo h SER 142 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1hdo h SER 142 CO 0.00 0.13 -0.02 0.61 -0.87 0.00 0.00 176.83 176.68 1hdo n GLY 143 N -0.14 0.46 3.63 -0.77 0.00 -1.26 -5.02 105.19 102.09 1hdo n GLY 143 Ca -0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1hdo n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hdo s LEU 144 N -0.20 2.91 -0.39 0.99 1.43 -1.26 -5.08 118.68 117.08 1hdo s LEU 144 Ca 0.00 -1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 51.58 1hdo s LEU 144 Cb 0.00 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1hdo s LEU 144 CO 0.00 -0.39 1.22 -0.54 0.23 0.00 0.00 176.35 176.87 1hdo s LYS 145 N -3.73 3.81 -0.12 1.70 1.02 0.06 -4.93 119.74 117.55 1hdo s LYS 145 Ca 0.36 0.91 0.00 0.00 0.02 0.00 0.00 55.97 57.26 1hdo s LYS 145 Cb 0.06 -3.89 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 1hdo s LYS 145 CO 0.19 -1.26 -0.11 -0.47 -0.92 0.00 0.00 175.35 172.79 1hdo s TYR 146 N 4.47 1.74 -0.32 3.18 5.04 -1.26 -0.65 117.35 129.56 1hdo s TYR 146 Ca 0.52 -0.90 -0.11 0.00 -2.44 0.00 0.00 57.07 54.15 1hdo s TYR 146 Cb -0.12 -1.36 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1hdo s TYR 146 CO 0.26 -0.55 0.18 0.08 -1.34 0.00 0.00 175.55 174.19 1hdo s VAL 147 N 1.51 4.88 -0.37 3.14 1.01 -0.33 -0.91 120.40 129.34 1hdo s VAL 147 Ca 0.03 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1hdo s VAL 147 Cb -0.13 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1hdo s VAL 147 CO -0.08 0.07 0.66 0.00 0.00 0.00 0.00 175.10 175.75 1hdo s ALA 148 N 1.66 3.44 -0.28 5.51 0.00 -0.87 -1.67 121.76 129.55 1hdo s ALA 148 Ca 0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1hdo s ALA 148 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1hdo s ALA 148 CO 0.08 -1.41 0.16 0.08 0.00 0.00 0.00 175.76 174.67 1hdo s VAL 149 N 2.79 5.00 -0.61 0.00 1.01 -0.28 -0.83 120.40 127.48 1hdo s VAL 149 Ca 0.25 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1hdo s VAL 149 Cb -0.14 -3.41 0.22 0.00 0.00 0.00 0.00 36.38 33.05 1hdo s VAL 149 CO 0.16 0.23 0.60 0.23 0.00 0.00 0.00 175.10 176.32 1hdo n MET 150 N 5.02 1.87 -2.22 2.72 2.81 0.45 -0.54 117.12 127.23 1hdo n MET 150 Ca -0.14 -4.30 -0.32 0.00 -1.81 0.00 0.00 57.70 51.13 1hdo n MET 150 Cb 0.51 -2.08 -0.02 0.00 -0.71 0.00 0.00 33.22 30.92 1hdo n MET 150 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1hdo s PRO 151 N -1.76 3.79 0.00 0.03 0.04 -1.26 -2.73 135.00 133.11 1hdo s PRO 151 Ca 0.34 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1hdo s PRO 151 Cb 0.08 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1hdo s PRO 151 CO -0.09 -0.40 0.00 -0.35 0.04 0.00 0.00 177.00 176.19 1hdo n PRO 152 N -1.95 1.44 -1.65 0.56 -0.04 -1.26 -0.50 135.00 131.60 1hdo n PRO 152 Ca 0.07 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.07 1hdo n PRO 152 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 1hdo n PRO 152 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hdo n HIS 153 N -0.04 1.99 -3.24 0.54 -0.00 -1.09 -4.66 115.22 108.73 1hdo n HIS 153 Ca 0.00 0.47 -0.41 0.00 -0.00 0.00 0.00 57.72 57.79 1hdo n HIS 153 Cb 0.00 -2.43 -0.08 0.00 -0.00 0.00 0.00 29.99 27.48 1hdo n HIS 153 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1hdo s ILE 154 N -0.00 5.03 0.41 3.57 1.01 -1.26 -1.02 121.20 128.94 1hdo s ILE 154 Ca 0.70 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.97 1hdo s ILE 154 Cb -0.70 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 37.93 1hdo s ILE 154 CO 0.49 -0.10 0.53 0.61 0.00 0.00 0.00 174.94 176.47 1hdo n GLY 155 N 4.65 2.07 0.60 6.18 0.00 0.16 -4.81 105.19 114.03 1hdo n GLY 155 Ca -0.04 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.82 1hdo n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hdo n ASP 156 N -2.44 2.99 -4.70 1.61 8.00 -1.26 -0.59 116.55 120.15 1hdo n ASP 156 Ca 0.10 -2.23 -0.32 0.00 0.71 0.00 0.00 54.79 53.04 1hdo n ASP 156 Cb 0.43 -0.27 0.13 0.00 -0.02 0.00 0.00 41.12 41.39 1hdo n ASP 156 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hdo s GLN 157 N -1.41 1.55 0.80 -1.24 1.11 -1.26 -4.95 119.66 114.26 1hdo s GLN 157 Ca 0.24 1.62 -0.13 0.00 0.01 0.00 0.00 55.36 57.10 1hdo s GLN 157 Cb 0.15 -1.78 0.08 0.00 -1.01 0.00 0.00 33.01 30.45 1hdo s GLN 157 CO 0.12 -2.25 1.17 -2.14 0.01 0.00 0.00 175.29 172.20 1hdo s PRO 158 N -4.37 1.75 0.19 2.91 0.02 -1.26 -4.58 135.00 129.66 1hdo s PRO 158 Ca 0.70 1.60 -0.33 0.00 0.02 0.00 0.00 61.00 62.99 1hdo s PRO 158 Cb -0.25 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.33 1hdo s PRO 158 CO 0.53 -2.10 1.49 -0.11 -0.33 0.00 0.00 177.00 176.48 1hdo n LEU 159 N -3.37 2.98 0.00 -5.54 7.94 -1.26 -4.76 117.00 113.00 1hdo n LEU 159 Ca 0.12 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1hdo n LEU 159 Cb 0.51 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1hdo n LEU 159 CO 0.49 -0.43 -0.39 0.35 -1.11 0.00 0.00 177.39 176.30 1hdo n THR 160 N 2.76 0.00 -1.37 1.96 -2.24 -1.26 -5.01 114.28 109.11 1hdo n THR 160 Ca 0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1hdo n THR 160 Cb 0.29 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 1hdo n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hdo n GLY 161 N 2.71 1.28 0.09 3.38 0.00 -1.26 -4.84 105.19 106.54 1hdo n GLY 161 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1hdo n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdo n ALA 162 N 1.24 2.15 -1.02 4.61 0.00 -1.26 -5.03 120.51 121.20 1hdo n ALA 162 Ca -0.13 -0.89 -0.29 0.00 0.00 0.00 0.00 53.44 52.13 1hdo n ALA 162 Cb 0.55 -0.07 0.18 0.00 0.00 0.00 0.00 19.45 20.11 1hdo n ALA 162 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1hdo s TYR 163 N -0.77 1.97 -0.09 0.00 -0.85 -1.26 -5.02 117.35 111.32 1hdo s TYR 163 Ca 0.03 1.16 -0.01 0.00 -0.52 0.00 0.00 57.07 57.72 1hdo s TYR 163 Cb 0.02 -3.20 -0.03 0.00 0.38 0.00 0.00 41.96 39.13 1hdo s TYR 163 CO 0.02 -2.96 -0.02 0.99 -1.52 0.00 0.00 175.55 172.06 1hdo s THR 164 N -2.83 4.12 -0.19 -3.49 2.01 -0.31 -4.96 115.64 109.99 1hdo s THR 164 Ca 0.65 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 1hdo s THR 164 Cb -0.20 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.59 1hdo s THR 164 CO 0.59 0.59 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.25 1hdo s VAL 165 N -0.68 2.35 0.46 3.82 1.01 -1.26 -1.50 120.40 124.60 1hdo s VAL 165 Ca 0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1hdo s VAL 165 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1hdo s VAL 165 CO 0.02 0.51 0.24 0.42 0.00 0.00 0.00 175.10 176.29 1hdo s THR 166 N 1.33 2.01 -1.53 3.92 -4.23 -0.57 -4.91 115.64 111.66 1hdo s THR 166 Ca 0.05 -1.65 0.13 0.00 -1.18 0.00 0.00 61.69 59.05 1hdo s THR 166 Cb -0.13 -2.66 0.17 0.00 1.34 0.00 0.00 72.50 71.21 1hdo s THR 166 CO -0.11 0.00 1.01 0.18 -0.54 0.00 0.00 174.62 175.16 1hdo n LEU 167 N -1.41 2.35 0.00 4.79 4.77 -1.26 -0.36 117.00 125.87 1hdo n LEU 167 Ca -0.03 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1hdo n LEU 167 Cb 0.65 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1hdo n LEU 167 CO 0.43 0.48 0.23 -0.90 -1.33 0.00 0.00 177.39 176.30 1hdo n ASP 168 N 0.74 0.68 0.00 -1.43 5.68 -1.26 -4.71 116.55 116.25 1hdo n ASP 168 Ca 0.09 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1hdo n ASP 168 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1hdo n ASP 168 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hdo n GLY 169 N -0.11 0.90 3.90 6.12 0.00 -1.26 -4.78 105.19 109.96 1hdo n GLY 169 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1hdo n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdo s ARG 170 N -0.20 3.56 0.00 1.61 0.52 -1.26 -4.93 118.95 118.25 1hdo s ARG 170 Ca 0.00 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1hdo s ARG 170 Cb 0.00 -2.91 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1hdo s ARG 170 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1hdo n GLY 171 N 0.15 -1.33 0.28 -3.53 0.00 -1.26 -4.68 105.19 94.82 1hdo n GLY 171 Ca -0.03 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.23 1hdo n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hdo h PRO 172 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.46 132.00 128.35 1hdo h PRO 172 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1hdo h PRO 172 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1hdo h PRO 172 CO 0.00 0.00 0.14 -1.13 -0.23 0.00 0.00 178.00 176.78 1hdo n SER 173 N -2.94 -1.61 -1.74 1.44 3.41 -1.26 -4.70 113.62 106.21 1hdo n SER 173 Ca -0.01 -2.29 -0.18 0.00 -0.26 0.00 0.00 58.87 56.13 1hdo n SER 173 Cb 0.19 2.74 0.08 0.00 -0.26 0.00 0.00 64.21 66.96 1hdo n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hdo n ARG 174 N -0.42 2.94 -3.86 4.33 1.74 -1.26 -4.73 116.66 115.39 1hdo n ARG 174 Ca -0.05 -3.78 -0.12 0.00 -0.77 0.00 0.00 57.85 53.13 1hdo n ARG 174 Cb 0.46 -2.12 -0.12 0.00 -1.02 0.00 0.00 32.46 29.66 1hdo n ARG 174 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hdo s VAL 175 N -4.24 0.04 -0.03 1.55 1.01 -1.26 -2.65 120.40 114.82 1hdo s VAL 175 Ca 0.50 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1hdo s VAL 175 Cb 0.42 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.55 1hdo s VAL 175 CO 0.01 -0.18 -0.06 -0.51 0.00 0.00 0.00 175.10 174.36 1hdo s ILE 176 N -0.57 0.58 0.47 2.22 1.10 -0.19 -1.76 121.20 123.05 1hdo s ILE 176 Ca -0.06 -0.22 -0.23 0.00 -0.51 0.00 0.00 60.65 59.62 1hdo s ILE 176 Cb -0.04 -0.55 -0.07 0.00 0.15 0.00 0.00 42.46 41.95 1hdo s ILE 176 CO 0.00 0.20 1.26 -0.94 -2.11 0.00 0.00 174.94 173.36 1hdo s SER 177 N 0.41 5.95 0.32 4.50 1.04 -1.26 -0.67 113.70 123.99 1hdo s SER 177 Ca -0.06 2.53 0.08 0.00 0.48 0.00 0.00 55.95 58.99 1hdo s SER 177 Cb -0.10 -2.62 0.80 0.00 0.10 0.00 0.00 66.02 64.20 1hdo s SER 177 CO 0.00 -1.09 1.79 0.07 0.98 0.00 0.00 173.24 174.99 1hdo h LYS 178 N 2.05 0.69 -0.30 4.02 2.10 -1.12 0.18 116.57 124.18 1hdo h LYS 178 Ca -0.50 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.05 1hdo h LYS 178 Cb 1.26 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1hdo h LYS 178 CO 0.60 0.46 -0.04 0.45 -2.00 0.00 0.00 179.45 178.91 1hdo h HIS 179 N 0.71 0.63 -0.53 0.07 3.86 -1.82 -1.27 115.15 116.80 1hdo h HIS 179 Ca 0.57 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.57 1hdo h HIS 179 Cb 0.95 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1hdo h HIS 179 CO -0.00 0.73 0.02 -0.44 0.86 0.00 0.00 177.93 179.10 1hdo h ASP 180 N 0.35 0.85 -0.53 2.45 3.32 -1.60 -0.95 116.42 120.31 1hdo h ASP 180 Ca 0.08 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1hdo h ASP 180 Cb 0.51 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1hdo h ASP 180 CO 0.02 0.90 0.33 0.25 -1.72 0.00 0.00 179.24 179.03 1hdo h LEU 181 N 0.82 0.62 -0.68 1.55 5.85 -0.53 0.03 115.31 122.96 1hdo h LEU 181 Ca 0.16 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1hdo h LEU 181 Cb 0.47 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1hdo h LEU 181 CO 0.02 0.48 0.23 1.23 -0.34 0.00 0.00 178.44 180.06 1hdo h GLY 182 N 0.71 1.13 0.81 3.75 0.00 -0.97 -0.44 103.07 108.06 1hdo h GLY 182 Ca 0.19 -0.65 0.05 0.00 0.00 0.00 0.00 47.33 46.92 1hdo h GLY 182 CO -0.04 0.61 0.61 0.84 0.00 0.00 0.00 176.54 178.57 1hdo h HIS 183 N 0.99 1.15 -0.35 5.60 -0.00 -0.81 -1.52 115.15 120.21 1hdo h HIS 183 Ca 0.22 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.52 1hdo h HIS 183 Cb 0.27 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1hdo h HIS 183 CO 0.02 0.63 -0.16 0.35 -0.00 0.00 0.00 177.93 178.76 1hdo h PHE 184 N 1.16 0.84 -1.00 5.26 3.57 -0.46 -0.34 116.94 125.97 1hdo h PHE 184 Ca 0.39 -0.21 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1hdo h PHE 184 Cb 0.08 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 1hdo h PHE 184 CO -0.01 0.93 0.64 0.52 -2.23 0.00 0.00 178.31 178.15 1hdo h MET 185 N 0.51 1.05 -0.39 1.11 2.86 -0.46 -1.38 114.93 118.23 1hdo h MET 185 Ca 0.08 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1hdo h MET 185 Cb 0.70 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1hdo h MET 185 CO 0.05 0.70 -0.23 -0.07 1.06 0.00 0.00 176.91 178.42 1hdo h LEU 186 N 1.08 0.80 -1.39 1.22 3.38 -1.03 -2.90 115.31 116.47 1hdo h LEU 186 Ca 0.46 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1hdo h LEU 186 Cb 0.31 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1hdo h LEU 186 CO -0.21 1.00 0.43 -0.09 0.09 0.00 0.00 178.44 179.67 1hdo h ARG 187 N 0.68 0.78 0.00 1.13 1.12 -0.02 -0.90 114.38 117.17 1hdo h ARG 187 Ca 0.09 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1hdo h ARG 187 Cb 0.75 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1hdo h ARG 187 CO 0.06 0.52 0.00 0.00 -3.11 0.00 0.00 179.97 177.44 1hdo n LEU 189 N -2.49 0.72 -0.03 0.00 4.77 -0.34 -3.85 117.00 115.78 1hdo n LEU 189 Ca -0.00 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 1hdo n LEU 189 Cb 0.15 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1hdo n LEU 189 CO 0.17 -0.34 0.53 0.35 -1.33 0.00 0.00 177.39 176.77 1hdo n THR 190 N -2.22 1.38 -3.99 -5.08 -2.24 -0.57 -4.53 114.28 97.03 1hdo n THR 190 Ca 0.04 -1.55 -0.09 0.00 -2.27 0.00 0.00 64.05 60.19 1hdo n THR 190 Cb 0.34 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 1hdo n THR 190 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1hdo s THR 191 N -1.81 0.14 -2.71 4.28 -1.32 -1.22 -5.01 115.64 107.98 1hdo s THR 191 Ca 0.14 -1.13 0.25 0.00 -1.21 0.00 0.00 61.69 59.74 1hdo s THR 191 Cb 0.12 -0.64 0.36 0.00 -1.51 0.00 0.00 72.50 70.83 1hdo s THR 191 CO 0.01 -0.62 1.45 0.47 -2.21 0.00 0.00 174.62 173.73 1hdo n ASP 192 N 1.15 2.49 0.28 8.08 8.00 -1.26 -4.65 116.55 130.64 1hdo n ASP 192 Ca -0.21 -1.82 0.17 0.00 0.71 0.00 0.00 54.79 53.64 1hdo n ASP 192 Cb 0.57 -0.04 0.80 0.00 -0.02 0.00 0.00 41.12 42.42 1hdo n ASP 192 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1hdo h GLU 193 N 3.74 0.00 -0.03 -1.24 4.11 -1.95 -1.66 114.58 117.56 1hdo h GLU 193 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1hdo h GLU 193 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1hdo h GLU 193 CO 0.00 0.05 -0.05 0.66 0.07 0.00 0.00 179.01 179.74 1hdo n TYR 194 N -3.25 0.00 -1.83 2.06 4.01 -1.26 -4.92 117.16 111.97 1hdo n TYR 194 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1hdo n TYR 194 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1hdo n TYR 194 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1hdo s ASP 195 N -1.83 6.46 0.00 7.72 1.01 -0.63 -1.23 116.67 128.18 1hdo s ASP 195 Ca 0.24 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.31 1hdo s ASP 195 Cb 0.18 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1hdo s ASP 195 CO 0.29 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1hdo n GLY 196 N 3.09 0.48 3.56 0.21 0.00 -0.09 -4.94 105.19 107.51 1hdo n GLY 196 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1hdo n GLY 196 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hdo s HIS 197 N -2.05 2.48 -0.07 1.61 3.76 -0.36 -5.02 115.29 115.63 1hdo s HIS 197 Ca 0.00 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1hdo s HIS 197 Cb 0.00 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 1hdo s HIS 197 CO 0.00 0.64 0.20 -1.12 -0.85 0.00 0.00 174.74 173.60 1hdo s SER 198 N -3.61 6.45 0.03 1.40 0.01 -1.26 -2.06 113.70 114.66 1hdo s SER 198 Ca 0.31 0.52 0.04 0.00 1.31 0.00 0.00 55.95 58.13 1hdo s SER 198 Cb -0.04 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1hdo s SER 198 CO 0.18 0.36 -0.11 0.42 0.41 0.00 0.00 173.24 174.49 1hdo s THR 199 N -1.11 0.85 -0.35 1.44 -4.23 -0.01 -4.44 115.64 107.78 1hdo s THR 199 Ca 0.19 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1hdo s THR 199 Cb -0.13 -0.79 0.11 0.00 1.34 0.00 0.00 72.50 73.03 1hdo s THR 199 CO 0.09 -0.04 0.14 -0.47 -0.54 0.00 0.00 174.62 173.80 1hdo s TYR 200 N -0.80 1.90 0.03 3.99 5.04 0.52 -0.42 117.35 127.60 1hdo s TYR 200 Ca -0.01 -2.04 -0.24 0.00 -2.44 0.00 0.00 57.07 52.35 1hdo s TYR 200 Cb -0.07 -1.82 -0.05 0.00 0.35 0.00 0.00 41.96 40.36 1hdo s TYR 200 CO 0.01 -0.85 0.72 -1.25 -1.34 0.00 0.00 175.55 172.84 1hdo s PRO 201 N 1.14 4.45 0.18 4.97 0.04 -1.26 -1.51 135.00 143.02 1hdo s PRO 201 Ca 0.13 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1hdo s PRO 201 Cb -0.20 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.01 1hdo s PRO 201 CO -0.15 0.30 0.51 -1.54 0.04 0.00 0.00 177.00 176.17 1hdo s SER 202 N -0.07 -0.28 -0.09 6.66 1.04 -0.56 -4.39 113.70 116.01 1hdo s SER 202 Ca 0.37 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 1hdo s SER 202 Cb -0.20 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1hdo s SER 202 CO 0.21 -1.02 0.71 -2.28 0.98 0.00 0.00 173.24 171.85 1hdo s HIS 203 N -3.86 -0.65 -0.41 5.02 2.46 -0.72 -1.16 115.29 115.97 1hdo s HIS 203 Ca 0.08 1.19 -0.18 0.00 0.47 0.00 0.00 55.06 56.62 1hdo s HIS 203 Cb -0.01 0.39 0.02 0.00 -0.13 0.00 0.00 32.58 32.85 1hdo s HIS 203 CO -0.05 -0.56 0.47 -0.65 -2.47 0.00 0.00 174.74 171.49 1hdo s GLN 204 N -0.97 3.23 0.00 2.88 -0.21 -1.26 -4.57 119.66 118.76 1hdo s GLN 204 Ca -0.09 -0.59 0.30 0.00 0.02 0.00 0.00 55.36 55.00 1hdo s GLN 204 Cb -0.01 -3.93 1.44 0.00 1.00 0.00 0.00 33.01 31.51 1hdo s GLN 204 CO 0.08 -0.82 1.97 0.66 -2.12 0.00 0.00 175.29 175.05