#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hds n LEU 2 N 0.00 0.00 -4.70 4.03 4.77 -1.26 -4.96 117.00 114.88 1hds n LEU 2 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1hds n LEU 2 Cb 0.00 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 1hds n LEU 2 CO 0.00 0.00 0.66 0.28 -1.33 0.00 0.00 177.39 177.00 1hds s THR 3 N 0.47 2.62 -1.32 -5.08 -1.32 -1.26 -4.73 115.64 105.03 1hds s THR 3 Ca 0.00 0.20 0.27 0.00 -1.21 0.00 0.00 61.69 60.95 1hds s THR 3 Cb 0.00 -2.61 0.25 0.00 -1.51 0.00 0.00 72.50 68.63 1hds s THR 3 CO 0.00 -0.26 1.70 0.00 -2.21 0.00 0.00 174.62 173.85 1hds n ALA 4 N -3.97 2.95 0.19 11.08 0.00 -1.26 -0.96 120.51 128.54 1hds n ALA 4 Ca 0.07 -0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1hds n ALA 4 Cb 0.55 -1.27 0.15 0.00 0.00 0.00 0.00 19.45 18.87 1hds n ALA 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hds h GLU 5 N 0.34 0.00 0.00 0.00 4.22 -1.95 -1.57 114.58 115.62 1hds h GLU 5 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1hds h GLU 5 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1hds h GLU 5 CO 0.00 0.24 0.00 0.39 -2.18 0.00 0.00 179.01 177.46 1hds n GLU 6 N -3.18 0.00 -0.09 1.92 1.02 -0.13 -4.14 120.64 116.04 1hds n GLU 6 Ca 0.03 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.24 1hds n GLU 6 Cb 0.61 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.13 1hds n GLU 6 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hds n LYS 7 N -0.99 0.00 0.01 3.49 5.02 -0.65 -2.29 118.16 122.74 1hds n LYS 7 Ca 0.00 0.17 -0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1hds n LYS 7 Cb 0.00 -0.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.59 1hds n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hds h ALA 8 N 0.13 -0.57 -0.12 7.82 0.00 -1.44 -1.66 119.26 123.43 1hds h ALA 8 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1hds h ALA 8 Cb 0.55 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1hds h ALA 8 CO -0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 179.25 178.58 1hds n ALA 9 N -2.62 -0.08 0.18 0.00 0.00 -0.97 -3.79 120.51 113.23 1hds n ALA 9 Ca -0.01 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1hds n ALA 9 Cb 0.08 0.41 0.22 0.00 0.00 0.00 0.00 19.45 20.16 1hds n ALA 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1hds h VAL 10 N 0.00 0.70 -0.60 0.00 -1.51 -1.67 0.15 116.25 113.31 1hds h VAL 10 Ca 0.02 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1hds h VAL 10 Cb 0.05 2.11 -0.03 0.00 -2.13 0.00 0.00 31.29 31.29 1hds h VAL 10 CO -0.11 0.35 0.38 0.74 -1.23 0.00 0.00 177.57 177.70 1hds h THR 11 N 0.00 1.16 0.00 7.19 2.02 -1.41 0.74 112.91 122.61 1hds h THR 11 Ca -0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1hds h THR 11 Cb 1.08 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1hds h THR 11 CO 0.05 0.16 -0.17 1.23 0.37 0.00 0.00 175.52 177.15 1hds h GLY 12 N 0.83 0.00 2.00 2.16 0.00 -1.62 -3.31 103.07 103.13 1hds h GLY 12 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1hds h GLY 12 CO -0.05 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.74 1hds h PHE 13 N -1.00 0.00 0.00 5.60 -0.00 -0.76 -1.82 116.94 118.96 1hds h PHE 13 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1hds h PHE 13 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.23 1hds h PHE 13 CO -0.02 0.00 0.00 1.87 -0.00 0.00 0.00 178.31 180.16 1hds n TRP 14 N -2.83 0.00 0.00 0.41 -0.00 0.26 -3.96 117.44 111.32 1hds n TRP 14 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 1hds n TRP 14 Cb 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.29 1hds n TRP 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1hds n GLY 15 N -0.78 0.00 0.00 5.87 0.00 -1.21 -2.13 105.19 106.93 1hds n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hds n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hds n LYS 16 N -1.67 0.00 -1.40 1.61 4.81 -0.69 -4.49 118.16 116.33 1hds n LYS 16 Ca 0.00 0.32 -0.56 0.00 -0.87 0.00 0.00 58.31 57.19 1hds n LYS 16 Cb 0.00 -1.61 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 1hds n LYS 16 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1hds n VAL 17 N -1.30 0.11 -0.81 3.15 0.31 -0.91 -5.00 118.33 113.88 1hds n VAL 17 Ca 0.00 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1hds n VAL 17 Cb 0.11 -1.03 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 1hds n VAL 17 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1hds n ASP 18 N 8.07 5.12 0.00 4.52 -0.08 -1.26 -4.92 116.55 127.99 1hds n ASP 18 Ca 0.45 -2.42 0.00 0.00 -1.51 0.00 0.00 54.79 51.31 1hds n ASP 18 Cb 0.08 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.26 1hds n ASP 18 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1hds n VAL 19 N 2.18 0.00 -0.03 5.18 3.14 -1.26 -4.16 118.33 123.39 1hds n VAL 19 Ca 0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 1hds n VAL 19 Cb 0.76 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.54 1hds n VAL 19 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1hds n ASP 20 N 0.00 0.00 0.00 6.55 3.85 -1.26 -0.07 116.55 125.61 1hds n ASP 20 Ca 0.00 -1.40 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 1hds n ASP 20 Cb 0.00 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 1hds n ASP 20 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1hds n VAL 21 N 3.37 0.00 0.07 2.12 0.31 -1.26 -4.59 118.33 118.35 1hds n VAL 21 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1hds n VAL 21 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1hds n VAL 21 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1hds h VAL 22 N 0.00 1.31 0.00 2.52 3.04 -1.67 -1.23 116.25 120.22 1hds h VAL 22 Ca 0.00 -2.94 0.00 0.00 -1.01 0.00 0.00 66.70 62.75 1hds h VAL 22 Cb 0.00 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1hds h VAL 22 CO 0.00 0.84 -1.51 0.61 -1.01 0.00 0.00 177.57 176.51 1hds n GLY 23 N 1.58 -1.14 0.35 3.17 0.00 0.89 -2.37 105.19 107.68 1hds n GLY 23 Ca -0.12 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.53 1hds n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hds h ALA 24 N 2.20 1.46 0.10 4.61 0.00 -1.71 -1.98 119.26 123.94 1hds h ALA 24 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hds h ALA 24 Cb 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1hds h ALA 24 CO 0.00 0.16 -0.05 -0.56 0.00 0.00 0.00 179.25 178.80 1hds h GLN 25 N 0.91 -0.13 -0.72 0.00 3.07 -1.17 0.57 115.11 117.65 1hds h GLN 25 Ca 0.49 0.01 0.02 0.00 0.09 0.00 0.00 58.65 59.25 1hds h GLN 25 Cb 0.53 0.03 -0.04 0.00 0.08 0.00 0.00 27.48 28.08 1hds h GLN 25 CO -0.28 -0.08 0.47 0.00 0.09 0.00 0.00 178.83 179.02 1hds h ALA 26 N -1.55 0.92 -0.04 0.06 0.00 -1.48 1.26 119.26 118.42 1hds h ALA 26 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1hds h ALA 26 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hds h ALA 26 CO 0.02 0.30 -0.23 1.25 0.00 0.00 0.00 179.25 180.58 1hds h LEU 27 N 0.94 0.28 0.00 0.00 7.12 -1.50 -3.07 115.31 119.07 1hds h LEU 27 Ca 0.27 -0.67 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1hds h LEU 27 Cb -0.07 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1hds h LEU 27 CO -0.08 0.91 0.00 0.61 -0.13 0.00 0.00 178.44 179.75 1hds n GLY 28 N 0.76 -1.73 0.41 3.75 0.00 0.20 -2.34 105.19 106.23 1hds n GLY 28 Ca -0.09 0.37 0.21 0.00 0.00 0.00 0.00 46.02 46.51 1hds n GLY 28 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hds h ARG 29 N 0.00 0.18 -0.96 1.61 -0.00 0.12 -2.99 114.38 112.33 1hds h ARG 29 Ca 0.00 -0.01 0.25 0.00 -0.50 0.00 0.00 59.98 59.72 1hds h ARG 29 Cb 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 29.97 29.75 1hds h ARG 29 CO 0.00 0.12 -0.01 1.25 0.00 0.00 0.00 179.97 181.32 1hds h LEU 30 N 0.18 -0.53 0.00 3.04 7.12 -1.60 -2.35 115.31 121.17 1hds h LEU 30 Ca 0.37 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.66 1hds h LEU 30 Cb 1.20 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1hds h LEU 30 CO -0.07 -0.33 0.00 0.18 -0.13 0.00 0.00 178.44 178.09 1hds n LEU 31 N -5.49 0.00 -4.25 2.25 4.32 -0.99 -0.74 117.00 112.10 1hds n LEU 31 Ca 0.21 0.71 -0.43 0.00 -0.02 0.00 0.00 56.01 56.48 1hds n LEU 31 Cb 0.69 -0.21 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 1hds n LEU 31 CO -0.06 -0.21 0.16 0.54 -1.22 0.00 0.00 177.39 176.60 1hds s VAL 32 N -1.85 4.80 0.00 4.08 0.11 -0.88 -3.87 120.40 122.79 1hds s VAL 32 Ca 0.00 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 56.97 1hds s VAL 32 Cb 0.00 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1hds s VAL 32 CO 0.00 -0.89 0.00 0.52 -3.33 0.00 0.00 175.10 171.40 1hds n VAL 33 N 4.52 0.00 -2.45 2.04 0.31 -1.25 -4.75 118.33 116.75 1hds n VAL 33 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 1hds n VAL 33 Cb 0.42 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.36 1hds n VAL 33 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1hds n TYR 34 N 0.00 3.12 0.24 3.52 4.02 0.08 -4.97 117.16 123.18 1hds n TYR 34 Ca 0.00 -2.79 0.08 0.00 -0.01 0.00 0.00 57.90 55.18 1hds n TYR 34 Cb 0.00 -0.95 0.24 0.00 -0.02 0.00 0.00 39.34 38.62 1hds n TYR 34 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1hds h PRO 35 N 3.45 0.00 0.11 -0.72 0.10 -1.71 -0.88 132.00 132.34 1hds h PRO 35 Ca 0.45 0.00 -0.27 0.00 0.10 0.00 0.00 66.00 66.28 1hds h PRO 35 Cb 0.33 0.00 0.01 0.00 0.10 0.00 0.00 31.00 31.44 1hds h PRO 35 CO 1.16 0.00 -1.19 0.11 0.10 0.00 0.00 178.00 178.18 1hds h TRP 36 N 0.00 0.67 -0.08 0.65 0.09 -1.90 -3.36 115.95 112.01 1hds h TRP 36 Ca 0.08 -0.44 0.02 0.00 0.09 0.00 0.00 58.89 58.64 1hds h TRP 36 Cb 1.86 -0.05 -0.00 0.00 0.08 0.00 0.00 29.16 31.05 1hds h TRP 36 CO 0.00 1.31 0.23 1.79 0.09 0.00 0.00 178.44 181.86 1hds h THR 37 N 0.16 0.14 0.00 0.12 1.35 -1.46 -3.32 112.91 109.91 1hds h THR 37 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1hds h THR 37 Cb 1.87 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1hds h THR 37 CO 0.21 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.15 1hds n GLN 38 N -3.22 0.72 -0.10 4.72 7.27 -1.26 -1.07 117.38 124.44 1hds n GLN 38 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.92 1hds n GLN 38 Cb 0.31 -1.13 -0.09 0.00 2.41 0.00 0.00 30.24 31.75 1hds n GLN 38 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1hds n ARG 39 N -0.27 0.47 0.22 3.69 1.74 -1.25 -3.79 116.66 117.48 1hds n ARG 39 Ca 0.00 0.12 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 1hds n ARG 39 Cb 0.07 -1.36 0.25 0.00 -1.02 0.00 0.00 32.46 30.40 1hds n ARG 39 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1hds h PHE 40 N -0.08 0.00 -2.68 -1.55 -1.00 -1.37 -3.39 116.94 106.87 1hds h PHE 40 Ca -0.43 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.76 1hds h PHE 40 Cb 1.63 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.80 1hds h PHE 40 CO 0.01 0.09 -0.82 -0.06 -1.61 0.00 0.00 178.31 175.91 1hds s PHE 41 N -3.28 1.07 -2.41 -0.55 0.40 -1.21 -4.28 117.98 107.72 1hds s PHE 41 Ca 0.05 -1.86 0.25 0.00 -0.60 0.00 0.00 56.93 54.77 1hds s PHE 41 Cb 0.06 -1.17 0.51 0.00 0.51 0.00 0.00 43.02 42.94 1hds s PHE 41 CO 0.66 -0.82 1.43 0.00 0.70 0.00 0.00 175.22 177.19 1hds n GLN 42 N 3.86 1.61 0.00 0.44 0.00 -1.26 -1.96 117.38 120.07 1hds n GLN 42 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 57.00 55.94 1hds n GLN 42 Cb 0.37 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1hds n GLN 42 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1hds n HIS 43 N 0.33 0.00 0.00 2.61 -0.00 -1.26 -4.79 115.22 112.11 1hds n HIS 43 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1hds n HIS 43 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1hds n HIS 43 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1hds n PHE 44 N 0.00 0.00 0.00 1.57 3.01 -0.83 -5.07 117.46 116.14 1hds n PHE 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1hds n PHE 44 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1hds n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hds n GLY 45 N 0.65 -1.46 3.09 1.37 0.00 -1.25 -5.04 105.19 102.55 1hds n GLY 45 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 46.02 46.62 1hds n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hds n ASN 46 N 0.00 0.10 -1.32 1.61 5.03 -1.26 -4.39 115.26 115.03 1hds n ASN 46 Ca 0.00 -1.56 -0.07 0.00 0.87 0.00 0.00 54.58 53.83 1hds n ASN 46 Cb 0.00 -0.29 0.20 0.00 -1.02 0.00 0.00 39.78 38.67 1hds n ASN 46 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1hds n LEU 47 N 5.62 4.53 -1.43 3.41 7.99 -1.26 -2.57 117.00 133.29 1hds n LEU 47 Ca 0.17 -3.72 -0.06 0.00 -0.01 0.00 0.00 56.01 52.39 1hds n LEU 47 Cb 0.21 -0.67 0.22 0.00 -0.11 0.00 0.00 43.42 43.08 1hds n LEU 47 CO 0.60 1.21 0.86 -0.24 -1.51 0.00 0.00 177.39 178.31 1hds n SER 48 N -1.09 3.35 -3.88 -1.43 2.88 -1.26 -4.94 113.62 107.25 1hds n SER 48 Ca 0.37 -3.51 -0.09 0.00 -1.33 0.00 0.00 58.87 54.30 1hds n SER 48 Cb 1.13 -0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 63.84 1hds n SER 48 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1hds s SER 49 N -1.96 0.11 -0.15 -3.46 0.15 -1.26 -5.04 113.70 102.09 1hds s SER 49 Ca 0.48 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 1hds s SER 49 Cb 0.41 0.29 -0.24 0.00 -1.71 0.00 0.00 66.02 64.78 1hds s SER 49 CO 0.06 -0.62 0.40 0.00 1.20 0.00 0.00 173.24 174.27 1hds h ALA 50 N 3.20 0.25 -0.06 5.45 0.00 -1.92 0.84 119.26 127.02 1hds h ALA 50 Ca -0.33 -1.16 0.01 0.00 0.00 0.00 0.00 54.91 53.43 1hds h ALA 50 Cb 1.19 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1hds h ALA 50 CO 0.53 0.83 -0.18 0.78 0.00 0.00 0.00 179.25 181.20 1hds h GLY 51 N -0.21 -1.47 0.00 0.00 0.00 -1.98 -1.83 103.07 97.58 1hds h GLY 51 Ca -0.33 0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1hds h GLY 51 CO -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 176.54 176.01 1hds n ALA 52 N -2.74 0.00 -0.33 3.60 0.00 -1.24 -1.19 120.51 118.61 1hds n ALA 52 Ca -0.02 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.71 1hds n ALA 52 Cb 0.12 0.19 0.62 0.00 0.00 0.00 0.00 19.45 20.37 1hds n ALA 52 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1hds h VAL 53 N 0.00 0.44 -0.21 0.00 3.04 0.99 0.28 116.25 120.79 1hds h VAL 53 Ca 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 66.70 65.52 1hds h VAL 53 Cb 0.00 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 29.49 1hds h VAL 53 CO 0.00 0.04 -0.23 -0.03 -1.01 0.00 0.00 177.57 176.34 1hds h MET 54 N 0.21 0.53 -0.13 4.17 4.05 -0.28 -3.34 114.93 120.15 1hds h MET 54 Ca 0.60 -0.29 -0.13 0.00 -0.28 0.00 0.00 59.70 59.61 1hds h MET 54 Cb 1.90 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.72 1hds h MET 54 CO -0.20 0.87 -0.44 -0.91 0.23 0.00 0.00 176.91 176.47 1hds h ASN 55 N 0.21 0.60 0.00 1.39 4.21 -1.48 -3.29 115.58 117.22 1hds h ASN 55 Ca 0.03 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 56.93 1hds h ASN 55 Cb 0.79 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1hds h ASN 55 CO 0.06 1.11 0.00 -3.20 -1.29 0.00 0.00 177.43 174.11 1hds n ASN 56 N -4.27 0.00 0.00 5.81 4.05 0.94 -4.62 115.26 117.17 1hds n ASN 56 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 1hds n ASN 56 Cb 0.56 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.57 1hds n ASN 56 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1hds n PRO 57 N 0.66 0.00 0.01 1.20 -0.04 -1.26 -2.67 135.00 132.90 1hds n PRO 57 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1hds n PRO 57 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1hds n PRO 57 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1hds h LYS 58 N 0.00 -0.08 -0.24 0.54 3.64 -1.95 -1.70 116.57 116.78 1hds h LYS 58 Ca 0.00 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1hds h LYS 58 Cb 0.00 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1hds h LYS 58 CO 0.00 0.40 -0.57 -0.39 -2.27 0.00 0.00 179.45 176.62 1hds h VAL 59 N -0.60 1.29 0.00 2.00 -1.51 -1.76 0.34 116.25 116.02 1hds h VAL 59 Ca -0.01 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1hds h VAL 59 Cb 0.51 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1hds h VAL 59 CO 0.01 0.57 0.00 1.17 -1.23 0.00 0.00 177.57 178.10 1hds n LYS 60 N -3.98 0.00 -0.21 5.19 4.81 -1.11 -1.46 118.16 121.40 1hds n LYS 60 Ca -0.04 0.40 0.16 0.00 -0.87 0.00 0.00 58.31 57.96 1hds n LYS 60 Cb 0.63 -0.77 0.30 0.00 0.02 0.00 0.00 35.03 35.22 1hds n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hds n ALA 61 N -1.07 0.53 0.08 3.14 0.00 -0.66 -1.37 120.51 121.17 1hds n ALA 61 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 1hds n ALA 61 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1hds n ALA 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h HIS 62 N 0.00 -0.42 0.00 0.00 -0.00 0.85 -3.32 115.15 112.26 1hds h HIS 62 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 1hds h HIS 62 Cb 1.18 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 1hds h HIS 62 CO -0.12 -0.20 0.00 0.78 -0.00 0.00 0.00 177.93 178.39 1hds h GLY 63 N -0.29 0.00 0.00 5.26 0.00 -1.06 0.44 103.07 107.41 1hds h GLY 63 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1hds h GLY 63 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1hds n LYS 64 N -2.99 0.00 0.01 4.80 5.02 -1.25 -2.34 118.16 121.41 1hds n LYS 64 Ca 0.00 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 1hds n LYS 64 Cb 0.25 -0.66 -0.05 0.00 -0.02 0.00 0.00 35.03 34.56 1hds n LYS 64 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1hds h ARG 65 N 0.00 0.65 -1.80 1.97 1.12 -1.65 -3.21 114.38 111.46 1hds h ARG 65 Ca 0.00 -0.56 0.00 0.00 -1.11 0.00 0.00 59.98 58.31 1hds h ARG 65 Cb 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1hds h ARG 65 CO 0.00 1.18 0.00 1.55 -3.11 0.00 0.00 179.97 179.59 1hds n VAL 66 N -3.88 0.20 -0.36 0.20 3.14 0.15 -4.00 118.33 113.78 1hds n VAL 66 Ca -0.07 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1hds n VAL 66 Cb 0.76 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 1hds n VAL 66 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1hds n LEU 67 N 0.91 0.00 -3.53 6.55 7.94 -1.19 -4.70 117.00 122.98 1hds n LEU 67 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1hds n LEU 67 Cb 0.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1hds n LEU 67 CO 0.00 0.00 0.53 0.47 -1.11 0.00 0.00 177.39 177.28 1hds n ASP 68 N 0.00 -1.05 0.00 1.96 10.43 -1.21 -0.92 116.55 125.76 1hds n ASP 68 Ca 0.00 -0.60 0.00 0.00 2.57 0.00 0.00 54.79 56.76 1hds n ASP 68 Cb 0.00 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1hds n ASP 68 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1hds n ALA 69 N 3.26 0.00 -0.00 2.24 0.00 -1.26 -4.23 120.51 120.52 1hds n ALA 69 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hds n ALA 69 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 1hds n ALA 69 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1hds h PHE 70 N 0.00 0.00 0.00 0.00 3.04 -1.28 -3.39 116.94 115.31 1hds h PHE 70 Ca 0.00 0.00 -0.67 0.00 3.98 0.00 0.00 57.97 61.28 1hds h PHE 70 Cb 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1hds h PHE 70 CO 0.00 0.00 3.20 -2.37 -2.02 0.00 0.00 178.31 177.12 1hds n THR 71 N -2.33 3.41 0.00 4.41 5.66 -1.26 0.16 114.28 124.34 1hds n THR 71 Ca -0.00 -2.59 0.00 0.00 -3.05 0.00 0.00 64.05 58.41 1hds n THR 71 Cb 0.01 -2.54 0.00 0.00 -1.55 0.00 0.00 70.33 66.25 1hds n THR 71 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1hds n GLN 72 N 5.36 0.00 0.00 1.09 -0.06 -1.26 -4.19 117.38 118.33 1hds n GLN 72 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 1hds n GLN 72 Cb 0.33 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.51 1hds n GLN 72 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hds n GLY 73 N 0.00 1.16 0.00 1.69 0.00 0.43 -4.68 105.19 103.79 1hds n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hds n GLY 73 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hds n LEU 74 N -0.76 0.00 0.00 0.99 -0.00 -1.24 -4.28 117.00 111.71 1hds n LEU 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1hds n LEU 74 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1hds n LEU 74 CO 0.00 -0.26 0.00 0.29 -0.00 0.00 0.00 177.39 177.42 1hds n LYS 75 N 0.00 0.00 0.00 1.96 4.76 -1.26 -3.80 118.16 119.81 1hds n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1hds n LYS 75 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1hds n LYS 75 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1hds n HIS 76 N 12.06 0.00 -1.61 2.13 8.25 -1.26 -4.80 115.22 129.98 1hds n HIS 76 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1hds n HIS 76 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1hds n HIS 76 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1hds n LEU 77 N 0.00 -0.59 -0.32 2.41 -0.00 -1.25 -4.76 117.00 112.50 1hds n LEU 77 Ca 0.00 0.23 0.04 0.00 -0.00 0.00 0.00 56.01 56.28 1hds n LEU 77 Cb 0.00 -1.45 -0.02 0.00 -0.00 0.00 0.00 43.42 41.95 1hds n LEU 77 CO 0.00 -0.29 -0.11 -0.67 -0.00 0.00 0.00 177.39 176.32 1hds n ASP 78 N -0.43 -1.87 -4.52 1.96 4.64 -1.26 -4.60 116.55 110.47 1hds n ASP 78 Ca -0.08 0.25 -0.41 0.00 -1.38 0.00 0.00 54.79 53.18 1hds n ASP 78 Cb 0.35 -1.05 -0.07 0.00 -1.04 0.00 0.00 41.12 39.31 1hds n ASP 78 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1hds n ASP 79 N -2.80 1.84 0.00 1.67 -0.08 -1.26 -4.28 116.55 111.64 1hds n ASP 79 Ca -0.01 -0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1hds n ASP 79 Cb 0.15 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.25 1hds n ASP 79 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1hds n LEU 80 N 13.18 0.00 -0.94 -2.67 4.77 -1.26 -4.47 117.00 125.61 1hds n LEU 80 Ca 0.45 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1hds n LEU 80 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1hds n LEU 80 CO 0.77 0.00 -0.07 1.17 -1.33 0.00 0.00 177.39 177.93 1hds n LYS 81 N 0.00 -0.05 0.00 3.23 4.81 -1.26 -4.74 118.16 120.15 1hds n LYS 81 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1hds n LYS 81 Cb 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 35.03 34.89 1hds n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hds n GLY 82 N 0.58 -1.87 0.00 3.14 0.00 -1.26 -4.66 105.19 101.12 1hds n GLY 82 Ca -0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1hds n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hds n ALA 83 N 0.00 0.00 -0.29 4.61 0.00 -1.26 -2.59 120.51 120.98 1hds n ALA 83 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1hds n ALA 83 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1hds n ALA 83 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1hds h PHE 84 N 0.00 0.09 0.00 0.00 0.05 -1.90 -3.43 116.94 111.75 1hds h PHE 84 Ca 0.00 0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.85 1hds h PHE 84 Cb 0.00 0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.05 1hds h PHE 84 CO 0.00 -0.27 0.00 0.00 -0.18 0.00 0.00 178.31 177.86 1hds n ALA 85 N -2.90 0.00 0.00 2.45 0.00 -1.07 -1.76 120.51 117.23 1hds n ALA 85 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1hds n ALA 85 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1hds n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1hds n GLN 86 N 0.00 0.00 0.17 0.00 7.27 -1.26 -2.45 117.38 121.11 1hds n GLN 86 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.20 1hds n GLN 86 Cb 0.00 0.00 0.29 0.00 2.41 0.00 0.00 30.24 32.94 1hds n GLN 86 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1hds h LEU 87 N 0.00 0.00 -0.51 1.69 4.07 -1.67 -2.68 115.31 116.21 1hds h LEU 87 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.03 1hds h LEU 87 Cb 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1hds h LEU 87 CO 0.00 0.00 -0.23 -0.24 -1.08 0.00 0.00 178.44 176.89 1hds n SER 88 N -2.71 -0.40 0.00 -0.43 2.88 -1.02 -1.01 113.62 110.93 1hds n SER 88 Ca 0.05 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1hds n SER 88 Cb 0.47 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1hds n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hds n GLY 89 N -1.21 -2.02 0.39 0.46 0.00 -1.01 -0.55 105.19 101.26 1hds n GLY 89 Ca 0.04 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 1hds n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hds h LEU 90 N 0.00 -1.13 0.16 0.99 5.85 -1.15 0.30 115.31 120.32 1hds h LEU 90 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1hds h LEU 90 Cb 0.00 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1hds h LEU 90 CO 0.00 -0.46 -0.16 0.45 -0.34 0.00 0.00 178.44 177.93 1hds h HIS 91 N -0.61 -0.41 0.03 1.25 3.86 -1.16 -2.31 115.15 115.80 1hds h HIS 91 Ca 0.03 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.01 1hds h HIS 91 Cb 0.64 0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1hds h HIS 91 CO -0.35 -0.24 -1.15 0.00 0.86 0.00 0.00 177.93 177.06 1hds n ASN 93 N -3.36 0.00 0.00 0.00 3.02 0.10 -4.33 115.26 110.69 1hds n ASN 93 Ca -0.04 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1hds n ASN 93 Cb 0.97 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 1hds n ASN 93 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1hds n LYS 94 N -0.22 0.36 0.00 3.52 0.00 -1.11 -4.77 118.16 115.95 1hds n LYS 94 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.78 1hds n LYS 94 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 35.03 34.34 1hds n LYS 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1hds n LEU 95 N -0.09 0.00 -0.61 -5.58 7.94 -1.26 -5.07 117.00 112.33 1hds n LEU 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1hds n LEU 95 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1hds n LEU 95 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.39 177.69 1hds n HIS 96 N -0.00 0.00 -1.91 1.96 8.25 -0.95 -5.05 115.22 117.52 1hds n HIS 96 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1hds n HIS 96 Cb 0.00 -0.61 0.02 0.00 1.12 0.00 0.00 29.99 30.52 1hds n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hds s VAL 97 N -1.24 3.98 0.35 1.59 1.01 -1.19 -4.97 120.40 119.94 1hds s VAL 97 Ca 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1hds s VAL 97 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 1hds s VAL 97 CO 0.00 -0.66 0.73 0.21 0.00 0.00 0.00 175.10 175.38 1hds s ASN 98 N -3.20 6.64 0.00 3.32 3.04 -1.26 -4.72 114.94 118.77 1hds s ASN 98 Ca 0.61 1.18 0.15 0.00 0.04 0.00 0.00 52.86 54.83 1hds s ASN 98 Cb -0.15 -2.33 0.74 0.00 -1.54 0.00 0.00 41.25 37.97 1hds s ASN 98 CO 0.43 -0.28 1.43 -2.65 -3.04 0.00 0.00 177.10 172.99 1hds n PRO 99 N -0.78 0.18 -0.05 0.43 -0.02 -1.26 -0.62 135.00 132.88 1hds n PRO 99 Ca 0.03 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1hds n PRO 99 Cb 0.53 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1hds n PRO 99 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1hds h GLN 100 N 0.00 0.00 0.00 -0.52 5.75 -1.93 -3.30 115.11 115.11 1hds h GLN 100 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1hds h GLN 100 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1hds h GLN 100 CO 0.00 0.00 0.00 -0.91 -2.65 0.00 0.00 178.83 175.27 1hds h ASN 101 N -0.98 0.00 -0.96 -0.69 -0.26 -1.26 -3.06 115.58 108.38 1hds h ASN 101 Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 55.87 1hds h ASN 101 Cb 0.07 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.25 1hds h ASN 101 CO 0.00 0.00 0.58 -0.26 -1.06 0.00 0.00 177.43 176.69 1hds h PHE 102 N 0.00 1.04 0.17 1.19 0.04 -1.56 -2.26 116.94 115.56 1hds h PHE 102 Ca 0.00 0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.50 1hds h PHE 102 Cb 0.24 -0.32 0.03 0.00 2.20 0.00 0.00 35.95 38.09 1hds h PHE 102 CO 0.00 0.38 -1.31 0.00 -0.60 0.00 0.00 178.31 176.77 1hds h ARG 103 N 0.89 0.50 0.02 1.51 2.47 -1.68 -2.53 114.38 115.55 1hds h ARG 103 Ca 0.49 -0.76 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1hds h ARG 103 Cb 0.54 0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1hds h ARG 103 CO -0.29 1.35 -0.02 -0.07 0.56 0.00 0.00 179.97 181.50 1hds h LEU 104 N 0.18 -0.04 -0.31 3.04 3.38 -1.38 -2.46 115.31 117.72 1hds h LEU 104 Ca -0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1hds h LEU 104 Cb 2.00 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 1hds h LEU 104 CO 0.24 -0.02 -0.19 -0.11 0.09 0.00 0.00 178.44 178.45 1hds n LEU 105 N -2.27 -0.33 -0.16 1.67 -0.00 -1.22 0.18 117.00 114.87 1hds n LEU 105 Ca -0.00 0.72 0.29 0.00 -0.00 0.00 0.00 56.01 57.01 1hds n LEU 105 Cb 0.02 -0.15 0.71 0.00 -0.00 0.00 0.00 43.42 43.99 1hds n LEU 105 CO 0.01 -0.53 1.26 1.23 -0.00 0.00 0.00 177.39 179.36 1hds h GLY 106 N 0.00 0.00 0.85 -3.96 0.00 -0.98 0.20 103.07 99.18 1hds h GLY 106 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 1hds h GLY 106 CO -0.29 0.00 -0.54 3.43 0.00 0.00 0.00 176.54 179.14 1hds h ASN 107 N 0.00 0.59 0.07 0.19 2.35 -1.14 -2.80 115.58 114.84 1hds h ASN 107 Ca 0.42 -0.68 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1hds h ASN 107 Cb 1.90 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 40.10 1hds h ASN 107 CO -0.00 1.18 -0.03 0.58 -1.65 0.00 0.00 177.43 177.50 1hds h VAL 108 N 0.04 1.10 -0.53 2.81 2.07 0.41 -3.19 116.25 118.96 1hds h VAL 108 Ca -0.05 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.00 1hds h VAL 108 Cb 1.20 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1hds h VAL 108 CO 0.11 0.14 0.02 0.25 0.02 0.00 0.00 177.57 178.11 1hds h LEU 109 N -0.34 -0.18 -2.17 2.57 6.46 -0.87 0.14 115.31 120.92 1hds h LEU 109 Ca -0.01 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1hds h LEU 109 Cb 0.30 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1hds h LEU 109 CO 0.01 -0.06 -0.06 0.00 -0.62 0.00 0.00 178.44 177.71 1hds h ALA 110 N 1.46 1.44 -0.29 1.25 0.00 -1.48 -2.87 119.26 118.77 1hds h ALA 110 Ca 0.27 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1hds h ALA 110 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1hds h ALA 110 CO -0.43 0.08 -0.11 -0.07 0.00 0.00 0.00 179.25 178.72 1hds h LEU 111 N 0.00 0.46 0.00 0.00 -0.00 -0.76 -2.76 115.31 112.26 1hds h LEU 111 Ca -0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1hds h LEU 111 Cb 0.16 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1hds h LEU 111 CO 0.01 0.61 0.00 1.33 -0.00 0.00 0.00 178.44 180.39 1hds n VAL 112 N -4.22 0.00 0.16 1.22 0.24 -0.99 -4.09 118.33 110.65 1hds n VAL 112 Ca 0.01 1.16 0.01 0.00 -2.04 0.00 0.00 64.34 63.48 1hds n VAL 112 Cb 0.31 -1.97 0.33 0.00 -1.47 0.00 0.00 33.84 31.03 1hds n VAL 112 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1hds h VAL 113 N 0.00 1.28 -0.58 3.34 -1.51 -1.65 0.61 116.25 117.74 1hds h VAL 113 Ca 0.00 -1.33 0.10 0.00 -1.23 0.00 0.00 66.70 64.24 1hds h VAL 113 Cb 0.00 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 1hds h VAL 113 CO 0.00 0.38 0.39 0.00 -1.23 0.00 0.00 177.57 177.12 1hds h ALA 114 N 1.57 2.08 0.00 5.19 0.00 -1.63 -3.26 119.26 123.20 1hds h ALA 114 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hds h ALA 114 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hds h ALA 114 CO 0.05 -0.22 -0.73 -2.13 0.00 0.00 0.00 179.25 176.22 1hds n ARG 115 N -4.46 0.76 0.34 0.00 0.63 -0.73 -1.82 116.66 111.37 1hds n ARG 115 Ca 0.10 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.84 1hds n ARG 115 Cb 0.40 -0.87 -0.09 0.00 0.45 0.00 0.00 32.46 32.35 1hds n ARG 115 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1hds h ASN 116 N 0.00 -1.20 -0.29 6.15 2.35 -1.08 -3.36 115.58 118.16 1hds h ASN 116 Ca 0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1hds h ASN 116 Cb 0.73 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1hds h ASN 116 CO 0.00 -0.66 0.01 -0.26 -1.65 0.00 0.00 177.43 174.86 1hds h PHE 117 N -1.03 0.55 0.00 1.19 0.04 -1.76 -3.47 116.94 112.47 1hds h PHE 117 Ca -0.07 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1hds h PHE 117 Cb 0.86 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1hds h PHE 117 CO -0.17 0.64 0.00 0.41 -0.60 0.00 0.00 178.31 178.60 1hds n GLY 118 N -0.35 0.58 0.00 -1.45 0.00 -0.76 -4.16 105.19 99.05 1hds n GLY 118 Ca -0.03 0.72 0.05 0.00 0.00 0.00 0.00 46.02 46.76 1hds n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hds n GLY 119 N 0.00 -0.53 0.13 -0.02 0.00 -1.26 -3.17 105.19 100.34 1hds n GLY 119 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1hds n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hds n GLN 120 N -0.80 0.68 -2.22 1.61 6.02 -1.26 -4.29 117.38 117.12 1hds n GLN 120 Ca 0.07 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.84 1hds n GLN 120 Cb 0.03 -1.58 -0.00 0.00 1.02 0.00 0.00 30.24 29.72 1hds n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1hds n PHE 121 N -3.41 4.19 0.00 1.08 -0.00 -1.19 -4.21 117.46 113.93 1hds n PHE 121 Ca -0.42 -2.90 0.00 0.00 -0.00 0.00 0.00 57.45 54.13 1hds n PHE 121 Cb 0.99 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.87 1hds n PHE 121 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1hds n THR 122 N 5.86 0.00 0.12 -2.13 -2.24 -1.26 -4.66 114.28 109.96 1hds n THR 122 Ca 0.50 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.26 1hds n THR 122 Cb 0.43 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.76 1hds n THR 122 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1hds h PRO 123 N 0.00 0.00 -0.01 -0.78 0.13 -1.95 -1.80 132.00 127.59 1hds h PRO 123 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1hds h PRO 123 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1hds h PRO 123 CO 0.00 0.70 -0.70 -0.91 -0.23 0.00 0.00 178.00 176.86 1hds h ASN 124 N 0.00 0.63 0.43 1.44 -0.26 -1.94 -0.00 115.58 115.88 1hds h ASN 124 Ca -0.01 -0.74 -0.04 0.00 -0.56 0.00 0.00 56.30 54.95 1hds h ASN 124 Cb 1.28 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.34 1hds h ASN 124 CO 0.09 1.29 -0.18 0.58 -1.06 0.00 0.00 177.43 178.15 1hds h VAL 125 N 0.04 0.73 0.00 2.81 2.07 -1.73 -1.62 116.25 118.55 1hds h VAL 125 Ca -0.08 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1hds h VAL 125 Cb 1.39 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1hds h VAL 125 CO 0.14 0.18 0.00 1.67 0.02 0.00 0.00 177.57 179.58 1hds n GLN 126 N -3.74 0.00 -0.01 1.57 0.00 -0.68 -3.06 117.38 111.47 1hds n GLN 126 Ca -0.02 0.74 -0.00 0.00 -0.00 0.00 0.00 57.00 57.72 1hds n GLN 126 Cb 0.29 -1.46 -0.00 0.00 0.00 0.00 0.00 30.24 29.07 1hds n GLN 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hds n ALA 127 N -2.43 -0.02 0.12 1.69 0.00 -0.02 -2.07 120.51 117.79 1hds n ALA 127 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1hds n ALA 127 Cb 0.00 0.07 0.08 0.00 0.00 0.00 0.00 19.45 19.59 1hds n ALA 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h LEU 128 N 0.00 0.00 -0.06 0.00 6.46 -1.50 -3.16 115.31 117.05 1hds h LEU 128 Ca 0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 1hds h LEU 128 Cb 0.01 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1hds h LEU 128 CO -0.02 0.69 -0.61 -0.26 -0.62 0.00 0.00 178.44 177.62 1hds h PHE 129 N 0.00 0.72 -0.83 1.25 0.05 -1.34 -3.06 116.94 113.73 1hds h PHE 129 Ca -0.01 -0.35 0.18 0.00 3.82 0.00 0.00 57.97 61.61 1hds h PHE 129 Cb 1.34 -0.10 -0.15 0.00 2.00 0.00 0.00 35.95 39.04 1hds h PHE 129 CO 0.00 1.15 -0.13 1.96 -0.18 0.00 0.00 178.31 181.11 1hds h GLN 130 N 0.08 0.02 0.62 1.51 1.08 -1.42 -0.47 115.11 116.53 1hds h GLN 130 Ca -0.06 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1hds h GLN 130 Cb 1.28 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 1hds h GLN 130 CO 0.12 0.02 -0.44 0.87 -0.95 0.00 0.00 178.83 178.45 1hds h LYS 131 N 0.02 -0.98 -0.54 1.46 1.57 -1.51 -2.31 116.57 114.28 1hds h LYS 131 Ca 0.43 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.32 1hds h LYS 131 Cb 0.71 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1hds h LYS 131 CO -0.82 -0.65 -0.32 0.28 -0.57 0.00 0.00 179.45 177.37 1hds n VAL 132 N -5.56 -0.37 -0.02 0.50 0.31 -1.11 0.12 118.33 112.21 1hds n VAL 132 Ca -0.13 1.90 -0.16 0.00 -0.01 0.00 0.00 64.34 65.94 1hds n VAL 132 Cb 0.44 -2.40 -0.10 0.00 -0.91 0.00 0.00 33.84 30.87 1hds n VAL 132 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1hds h VAL 133 N 0.00 1.40 -0.81 2.52 3.04 -1.01 0.14 116.25 121.53 1hds h VAL 133 Ca 0.09 -1.91 0.13 0.00 -1.01 0.00 0.00 66.70 63.99 1hds h VAL 133 Cb 0.22 2.38 -0.13 0.00 -2.01 0.00 0.00 31.29 31.75 1hds h VAL 133 CO -0.51 0.56 -0.32 0.00 -1.01 0.00 0.00 177.57 176.30 1hds n ALA 134 N -2.56 -0.10 0.51 3.17 0.00 -0.23 -2.76 120.51 118.55 1hds n ALA 134 Ca -0.09 0.81 -0.20 0.00 0.00 0.00 0.00 53.44 53.96 1hds n ALA 134 Cb 0.61 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 1hds n ALA 134 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hds h GLY 135 N 0.00 -1.35 0.08 0.00 0.00 0.56 -1.22 103.07 101.14 1hds h GLY 135 Ca 0.28 0.50 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 1hds h GLY 135 CO -0.81 -0.49 -0.04 -2.08 0.00 0.00 0.00 176.54 173.12 1hds h VAL 136 N -1.35 0.00 -0.04 4.60 2.07 -0.70 1.22 116.25 122.05 1hds h VAL 136 Ca -0.13 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1hds h VAL 136 Cb 0.99 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1hds h VAL 136 CO 0.22 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.83 1hds n ALA 137 N -2.41 0.04 -0.06 1.67 0.00 -1.11 0.75 120.51 119.39 1hds n ALA 137 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 1hds n ALA 137 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 1hds n ALA 137 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1hds h ASN 138 N 0.00 0.00 -0.50 0.00 2.35 -1.28 -2.65 115.58 113.50 1hds h ASN 138 Ca 0.03 -0.24 0.14 0.00 -0.55 0.00 0.00 56.30 55.69 1hds h ASN 138 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1hds h ASN 138 CO -0.03 0.69 0.55 0.00 -1.65 0.00 0.00 177.43 176.98 1hds h ALA 139 N -0.76 2.23 0.00 -0.83 0.00 0.77 0.27 119.26 120.93 1hds h ALA 139 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1hds h ALA 139 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1hds h ALA 139 CO -0.01 -0.81 -0.25 -0.07 0.00 0.00 0.00 179.25 178.12 1hds h LEU 140 N 0.00 0.00 -2.61 0.00 3.38 -1.60 -3.03 115.31 111.45 1hds h LEU 140 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1hds h LEU 140 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1hds h LEU 140 CO -0.00 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1hds n ALA 141 N -2.25 2.25 0.21 1.53 0.00 0.90 -4.24 120.51 118.91 1hds n ALA 141 Ca -0.00 -1.06 0.10 0.00 0.00 0.00 0.00 53.44 52.48 1hds n ALA 141 Cb 0.43 -0.48 0.33 0.00 0.00 0.00 0.00 19.45 19.73 1hds n ALA 141 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hds h HIS 142 N 2.31 0.00 0.00 0.00 2.76 -1.36 -3.09 115.15 115.77 1hds h HIS 142 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1hds h HIS 142 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1hds h HIS 142 CO 0.21 0.21 0.00 1.63 -1.30 0.00 0.00 177.93 178.69 1hds n LYS 143 N -3.25 0.35 -3.55 5.26 4.76 -1.20 -4.34 118.16 116.19 1hds n LYS 143 Ca 0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 1hds n LYS 143 Cb 0.50 -1.28 -0.15 0.00 -1.84 0.00 0.00 35.03 32.27 1hds n LYS 143 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1hds s TYR 144 N 0.12 0.42 0.00 2.13 1.51 -1.17 -4.71 117.35 115.64 1hds s TYR 144 Ca 0.00 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 1hds s TYR 144 Cb 0.00 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1hds s TYR 144 CO 0.00 -0.83 0.00 -2.39 -1.11 0.00 0.00 175.55 171.22