#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k n THR 11 N 0.00 0.89 0.16 8.89 -1.04 -1.26 -3.72 114.28 118.20 1m1k n THR 11 Ca 0.00 0.38 0.18 0.00 -2.04 0.00 0.00 64.05 62.57 1m1k n THR 11 Cb 0.00 -1.33 0.70 0.00 -1.82 0.00 0.00 70.33 67.88 1m1k n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1m1k h GLY 12 N 1.59 0.00 2.00 3.41 0.00 -1.95 0.15 103.07 108.27 1m1k h GLY 12 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m1k h GLY 12 CO 0.00 0.00 -0.02 0.07 0.00 0.00 0.00 176.54 176.59 1m1k h ARG 13 N 0.00 0.00 0.00 4.80 0.11 -2.04 -2.82 114.38 114.43 1m1k h ARG 13 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1m1k h ARG 13 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1m1k h ARG 13 CO -0.00 0.02 0.00 1.19 0.10 0.00 0.00 179.97 181.27 1m1k n PHE 14 N -3.13 0.00 -3.27 4.08 0.99 0.51 -5.01 117.46 111.63 1m1k n PHE 14 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1m1k n PHE 14 Cb 0.25 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 1m1k n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1m1k n GLY 15 N 0.97 1.72 1.49 1.37 0.00 -1.07 -1.59 105.19 108.08 1m1k n GLY 15 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1m1k n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1m1k n PRO 16 N 7.34 1.91 -4.03 1.61 -0.04 -1.26 -4.93 135.00 135.59 1m1k n PRO 16 Ca 0.00 -1.46 -0.23 0.00 -0.04 0.00 0.00 63.50 61.77 1m1k n PRO 16 Cb 0.00 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 1m1k n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1m1k s ARG 17 N -1.65 3.20 0.00 0.54 0.52 -0.62 -4.67 118.95 116.26 1m1k s ARG 17 Ca 0.27 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1m1k s ARG 17 Cb 0.22 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1m1k s ARG 17 CO 0.06 0.44 0.00 0.66 0.02 0.00 0.00 175.30 176.48 1m1k n TYR 18 N -1.04 0.00 0.00 -0.53 0.53 -1.26 -4.89 117.16 109.98 1m1k n TYR 18 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 1m1k n TYR 18 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.87 1m1k n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1m1k n GLY 19 N -0.95 0.77 0.00 2.72 0.00 -1.26 -4.56 105.19 101.91 1m1k n GLY 19 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1m1k n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m1k n LEU 20 N -0.56 0.00 -0.27 0.99 4.77 -1.26 -2.56 117.00 118.11 1m1k n LEU 20 Ca 0.00 0.86 -0.11 0.00 -0.03 0.00 0.00 56.01 56.73 1m1k n LEU 20 Cb 0.00 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 1m1k n LEU 20 CO 0.00 -0.36 0.49 0.11 -1.33 0.00 0.00 177.39 176.30 1m1k h LYS 21 N 0.00 -0.15 -0.49 3.23 1.57 -1.98 0.29 116.57 119.03 1m1k h LYS 21 Ca 0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1m1k h LYS 21 Cb 0.00 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 1m1k h LYS 21 CO 0.00 -0.10 -0.35 0.82 -0.57 0.00 0.00 179.45 179.25 1m1k h ILE 22 N -0.16 0.18 0.00 1.86 2.04 -1.80 -1.20 117.51 118.42 1m1k h ILE 22 Ca 0.11 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 1m1k h ILE 22 Cb 0.45 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1m1k h ILE 22 CO -0.72 0.00 -0.46 0.08 0.00 0.00 0.00 178.15 177.05 1m1k h ARG 23 N -0.23 0.00 -0.53 2.37 0.11 -1.08 -2.57 114.38 112.46 1m1k h ARG 23 Ca 0.19 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.20 1m1k h ARG 23 Cb 0.55 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1m1k h ARG 23 CO -0.61 0.46 0.06 0.28 0.10 0.00 0.00 179.97 180.26 1m1k h VAL 24 N 0.00 1.26 -0.23 0.08 2.07 0.13 -1.31 116.25 118.25 1m1k h VAL 24 Ca -0.00 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1m1k h VAL 24 Cb 1.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1m1k h VAL 24 CO 0.06 0.36 -0.23 0.03 0.02 0.00 0.00 177.57 177.81 1m1k h ARG 25 N 0.77 0.42 -0.53 1.57 3.08 -1.20 -0.41 114.38 118.09 1m1k h ARG 25 Ca 0.16 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1m1k h ARG 25 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1m1k h ARG 25 CO 0.02 0.63 -0.09 0.28 -1.07 0.00 0.00 179.97 179.74 1m1k h VAL 26 N 0.38 1.27 -0.02 2.04 2.07 -1.07 0.73 116.25 121.65 1m1k h VAL 26 Ca 0.06 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1m1k h VAL 26 Cb 0.61 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1m1k h VAL 26 CO 0.04 0.43 -0.01 0.00 0.02 0.00 0.00 177.57 178.06 1m1k h ALA 27 N 1.01 0.03 -0.00 1.67 0.00 -0.81 -0.83 119.26 120.32 1m1k h ALA 27 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1m1k h ALA 27 Cb 0.64 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1m1k h ALA 27 CO 0.04 -0.26 -0.46 -0.44 0.00 0.00 0.00 179.25 178.13 1m1k h ASP 28 N -0.36 -1.40 -0.80 0.00 5.19 -0.93 0.55 116.42 118.67 1m1k h ASP 28 Ca 0.00 0.17 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 1m1k h ASP 28 Cb 0.42 0.54 -0.05 0.00 0.18 0.00 0.00 39.33 40.42 1m1k h ASP 28 CO 0.00 -0.48 0.52 0.58 -3.12 0.00 0.00 179.24 176.74 1m1k h VAL 29 N -0.61 1.14 0.00 -1.35 2.07 -0.90 -2.61 116.25 113.99 1m1k h VAL 29 Ca 0.04 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1m1k h VAL 29 Cb 0.68 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1m1k h VAL 29 CO -0.33 0.19 -0.31 -0.33 0.02 0.00 0.00 177.57 176.80 1m1k h GLU 30 N 1.02 0.00 -0.26 1.57 5.08 -0.49 -1.04 114.58 120.46 1m1k h GLU 30 Ca 0.31 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1m1k h GLU 30 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1m1k h GLU 30 CO -0.10 0.31 -0.28 0.97 -1.00 0.00 0.00 179.01 178.91 1m1k h ILE 31 N 0.00 1.31 -0.47 3.13 2.10 0.44 0.13 117.51 124.16 1m1k h ILE 31 Ca -0.00 -1.45 -0.03 0.00 1.08 0.00 0.00 64.86 64.46 1m1k h ILE 31 Cb 1.14 1.66 -0.02 0.00 -1.09 0.00 0.00 36.82 38.51 1m1k h ILE 31 CO 0.04 0.46 0.18 0.11 -1.08 0.00 0.00 178.15 177.85 1m1k h LYS 32 N 0.36 0.70 -0.92 2.19 1.57 -1.52 -0.79 116.57 118.16 1m1k h LYS 32 Ca 0.04 -0.13 0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1m1k h LYS 32 Cb 0.85 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 1m1k h LYS 32 CO 0.07 0.64 0.54 1.25 -0.57 0.00 0.00 179.45 181.39 1m1k h HIS 33 N 0.61 0.98 -0.02 -1.35 2.76 -0.91 -2.36 115.15 114.86 1m1k h HIS 33 Ca 0.15 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1m1k h HIS 33 Cb 0.21 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1m1k h HIS 33 CO 0.01 0.34 -0.21 1.63 -1.30 0.00 0.00 177.93 178.40 1m1k n LYS 34 N -4.72 1.51 -0.63 5.26 5.02 0.44 -4.75 118.16 120.28 1m1k n LYS 34 Ca 0.17 -1.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.04 1m1k n LYS 34 Cb 0.37 -1.48 0.19 0.00 -0.02 0.00 0.00 35.03 34.09 1m1k n LYS 34 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m1k n LYS 35 N 0.23 -1.16 -2.65 1.97 5.02 -0.35 -4.93 118.16 116.29 1m1k n LYS 35 Ca 0.13 -0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 1m1k n LYS 35 Cb 0.45 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 1m1k n LYS 35 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m1k s LYS 36 N -4.29 4.52 -0.02 1.97 1.02 -1.26 -4.95 119.74 116.73 1m1k s LYS 36 Ca 0.65 1.49 0.04 0.00 0.02 0.00 0.00 55.97 58.17 1m1k s LYS 36 Cb -0.22 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1m1k s LYS 36 CO 0.63 -0.11 -0.14 -1.01 -0.92 0.00 0.00 175.35 173.79 1m1k s HIS 37 N 1.09 2.69 -0.41 3.18 3.76 -1.24 -4.99 115.29 119.37 1m1k s HIS 37 Ca 0.53 -0.16 -0.25 0.00 -0.15 0.00 0.00 55.06 55.03 1m1k s HIS 37 Cb -0.23 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1m1k s HIS 37 CO 0.28 0.23 0.90 0.15 -0.85 0.00 0.00 174.74 175.44 1m1k s LYS 38 N -1.00 3.67 0.28 1.40 1.02 -1.26 -1.77 119.74 122.08 1m1k s LYS 38 Ca 0.13 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1m1k s LYS 38 Cb -0.11 -3.86 -0.14 0.00 -0.52 0.00 0.00 37.83 33.20 1m1k s LYS 38 CO 0.03 -1.06 1.15 0.00 -0.92 0.00 0.00 175.35 174.54 1m1k h PRO 40 N 2.61 0.60 0.00 0.00 0.11 -1.95 -3.37 132.00 130.00 1m1k h PRO 40 Ca -0.42 -0.58 0.00 0.00 0.11 0.00 0.00 66.00 65.11 1m1k h PRO 40 Cb 1.32 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.58 1m1k h PRO 40 CO 0.64 1.19 0.00 0.28 -0.21 0.00 0.00 178.00 179.91 1m1k n VAL 41 N -3.84 0.00 0.00 3.15 0.31 -1.26 -4.84 118.33 111.85 1m1k n VAL 41 Ca -0.08 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.05 1m1k n VAL 41 Cb 0.81 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1m1k n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m1k n GLY 43 N 3.76 0.15 3.81 0.00 0.00 -1.26 -4.63 105.19 107.02 1m1k n GLY 43 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1m1k n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m1k s PHE 44 N -0.54 3.19 -1.28 1.61 0.40 -1.26 -4.61 117.98 115.50 1m1k s PHE 44 Ca 0.00 1.60 -0.07 0.00 -0.60 0.00 0.00 56.93 57.86 1m1k s PHE 44 Cb 0.00 -2.94 0.16 0.00 0.51 0.00 0.00 43.02 40.76 1m1k s PHE 44 CO 0.00 -0.40 2.02 1.63 0.70 0.00 0.00 175.22 179.18 1m1k n LYS 45 N -0.73 4.06 -2.43 0.44 5.02 -1.26 0.31 118.16 123.56 1m1k n LYS 45 Ca 0.08 -3.60 -0.09 0.00 -2.02 0.00 0.00 58.31 52.68 1m1k n LYS 45 Cb 0.53 -2.78 0.04 0.00 -0.02 0.00 0.00 35.03 32.80 1m1k n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m1k n LYS 46 N 2.86 2.41 -3.74 1.97 5.02 -0.73 -4.41 118.16 121.54 1m1k n LYS 46 Ca 0.47 -3.72 -0.35 0.00 -2.02 0.00 0.00 58.31 52.69 1m1k n LYS 46 Cb 0.32 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1m1k n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m1k s LEU 47 N -3.60 4.20 0.09 -0.35 1.43 -0.78 -0.68 118.68 118.99 1m1k s LEU 47 Ca 0.37 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1m1k s LEU 47 Cb 0.36 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1m1k s LEU 47 CO -0.01 0.19 -0.10 -0.54 0.23 0.00 0.00 176.35 176.11 1m1k s LYS 48 N 0.31 0.82 0.10 1.70 1.02 0.75 -3.70 119.74 120.75 1m1k s LYS 48 Ca 0.08 -1.11 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1m1k s LYS 48 Cb -0.11 -0.53 -0.07 0.00 -0.52 0.00 0.00 37.83 36.60 1m1k s LYS 48 CO -0.02 0.08 1.23 0.50 -0.92 0.00 0.00 175.35 176.23 1m1k s ARG 49 N -2.63 4.43 -0.10 1.68 3.52 -1.26 -1.31 118.95 123.28 1m1k s ARG 49 Ca 0.04 1.84 0.20 0.00 -0.13 0.00 0.00 55.73 57.68 1m1k s ARG 49 Cb -0.04 -3.30 -0.29 0.00 -1.56 0.00 0.00 34.95 29.76 1m1k s ARG 49 CO 0.00 -0.24 0.33 0.00 -0.81 0.00 0.00 175.30 174.58 1m1k n ALA 50 N 3.56 2.23 -3.33 6.12 0.00 0.45 -4.91 120.51 124.63 1m1k n ALA 50 Ca 0.08 -0.86 0.06 0.00 0.00 0.00 0.00 53.44 52.72 1m1k n ALA 50 Cb 0.45 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1m1k n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m1k n GLY 51 N 1.47 0.33 3.49 0.00 0.00 -1.05 -4.96 105.19 104.46 1m1k n GLY 51 Ca -0.16 -0.87 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 1m1k n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m1k n THR 52 N -0.31 0.16 -1.27 2.61 -1.04 -1.26 -0.98 114.28 112.19 1m1k n THR 52 Ca 0.02 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.05 61.59 1m1k n THR 52 Cb 0.18 -1.87 -0.04 0.00 -1.82 0.00 0.00 70.33 66.78 1m1k n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1m1k n GLY 53 N 6.35 1.04 3.20 3.41 0.00 -1.21 -4.98 105.19 113.00 1m1k n GLY 53 Ca 0.41 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1m1k n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m1k s ILE 54 N -2.19 2.33 0.09 -0.61 1.01 -0.16 -2.52 121.20 119.16 1m1k s ILE 54 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.85 1m1k s ILE 54 Cb 0.00 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1m1k s ILE 54 CO 0.00 0.53 -0.21 0.26 0.00 0.00 0.00 174.94 175.52 1m1k s TRP 55 N 0.89 1.83 0.04 3.97 0.52 -0.66 0.17 118.94 125.70 1m1k s TRP 55 Ca -0.05 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.61 1m1k s TRP 55 Cb -0.15 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 1m1k s TRP 55 CO -0.03 0.18 0.12 1.41 0.02 0.00 0.00 176.95 178.65 1m1k s MET 56 N -1.73 0.62 -0.33 4.98 1.75 -0.42 0.14 119.30 124.31 1m1k s MET 56 Ca 0.07 -0.74 -0.11 0.00 -1.25 0.00 0.00 55.69 53.66 1m1k s MET 56 Cb -0.10 0.24 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 1m1k s MET 56 CO 0.04 -0.16 0.19 0.00 -0.65 0.00 0.00 175.02 174.43 1m1k n GLY 58 N 5.03 -1.10 0.05 0.00 0.00 0.15 0.65 105.19 109.96 1m1k n GLY 58 Ca -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1m1k n GLY 58 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1m1k h HIS 59 N 0.00 -0.04 0.00 1.61 6.17 -1.93 -3.41 115.15 117.55 1m1k h HIS 59 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1m1k h HIS 59 Cb 0.20 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1m1k h HIS 59 CO 0.00 -0.02 -1.19 0.00 0.71 0.00 0.00 177.93 177.43 1m1k n GLY 61 N 1.44 0.96 3.67 0.00 0.00 0.21 -5.01 105.19 106.46 1m1k n GLY 61 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 1m1k n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1m1k n TYR 62 N -2.00 2.24 -3.76 1.61 9.36 -1.25 -4.60 117.16 118.76 1m1k n TYR 62 Ca 0.00 0.17 -0.37 0.00 3.32 0.00 0.00 57.90 61.02 1m1k n TYR 62 Cb 0.00 -2.59 -0.13 0.00 -0.63 0.00 0.00 39.34 36.00 1m1k n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1m1k s LYS 63 N 2.69 3.05 0.31 2.98 2.20 -1.26 -1.51 119.74 128.20 1m1k s LYS 63 Ca 0.88 -0.89 0.09 0.00 -0.36 0.00 0.00 55.97 55.69 1m1k s LYS 63 Cb -0.73 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1m1k s LYS 63 CO 0.47 -0.46 0.10 0.96 -0.36 0.00 0.00 175.35 176.07 1m1k s ILE 64 N 1.49 3.32 -0.15 5.43 -4.36 0.36 -4.96 121.20 122.33 1m1k s ILE 64 Ca 0.02 -1.73 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 1m1k s ILE 64 Cb -0.17 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.51 1m1k s ILE 64 CO 0.02 -0.26 0.26 0.00 0.24 0.00 0.00 174.94 175.20 1m1k s ALA 65 N -2.36 3.65 0.00 2.27 0.00 -1.26 -1.65 121.76 122.40 1m1k s ALA 65 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1m1k s ALA 65 Cb -0.04 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1m1k s ALA 65 CO 0.22 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1m1k n GLY 66 N 3.11 4.19 2.28 0.00 0.00 -1.05 -4.95 105.19 108.77 1m1k n GLY 66 Ca -0.14 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 1m1k n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1k n GLY 67 N 0.00 -2.43 0.15 -0.02 0.00 0.18 -4.73 105.19 98.34 1m1k n GLY 67 Ca 0.00 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 1m1k n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k n TYR 69 N -3.90 0.02 -3.98 0.00 4.02 -1.26 -3.36 117.16 108.70 1m1k n TYR 69 Ca -0.14 -0.15 -0.09 0.00 -0.01 0.00 0.00 57.90 57.51 1m1k n TYR 69 Cb 0.95 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 40.15 1m1k n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1m1k s GLN 70 N -0.42 0.33 0.22 -0.72 -0.21 -1.26 -3.77 119.66 113.84 1m1k s GLN 70 Ca 0.03 -0.64 0.08 0.00 0.02 0.00 0.00 55.36 54.85 1m1k s GLN 70 Cb 0.02 0.12 0.18 0.00 1.00 0.00 0.00 33.01 34.32 1m1k s GLN 70 CO 0.03 -0.06 1.51 -1.00 -2.12 0.00 0.00 175.29 173.65 1m1k h PRO 71 N 4.54 0.04 -5.69 2.91 0.13 -1.93 0.50 132.00 132.50 1m1k h PRO 71 Ca -0.32 -0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 64.15 1m1k h PRO 71 Cb 1.21 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1m1k h PRO 71 CO 0.42 0.75 -0.86 -1.21 -0.23 0.00 0.00 178.00 176.88 1m1k s GLU 72 N -3.37 2.16 0.24 0.86 2.02 -1.26 -2.95 118.70 116.41 1m1k s GLU 72 Ca -0.01 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1m1k s GLU 72 Cb 0.12 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1m1k s GLU 72 CO 0.79 0.32 0.14 0.95 0.02 0.00 0.00 175.26 177.48 1m1k s THR 73 N -0.09 4.20 0.46 3.63 -4.23 -1.26 -4.80 115.64 113.55 1m1k s THR 73 Ca -0.03 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1m1k s THR 73 Cb -0.12 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.81 1m1k s THR 73 CO 0.03 -0.32 2.00 0.58 -0.54 0.00 0.00 174.62 176.36 1m1k h VAL 74 N 1.67 0.87 0.00 2.29 2.07 -2.00 -1.49 116.25 119.65 1m1k h VAL 74 Ca -0.47 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 66.78 1m1k h VAL 74 Cb 1.24 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1m1k h VAL 74 CO 0.61 0.05 -0.96 0.00 0.02 0.00 0.00 177.57 177.29 1m1k h ALA 75 N 1.73 0.58 0.00 1.67 0.00 -2.00 -3.15 119.26 118.10 1m1k h ALA 75 Ca 0.25 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1m1k h ALA 75 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1m1k h ALA 75 CO -0.05 0.97 -0.37 0.78 0.00 0.00 0.00 179.25 180.58 1m1k h GLY 76 N 3.39 0.00 1.40 0.00 0.00 -1.67 -2.79 103.07 103.40 1m1k h GLY 76 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 1m1k h GLY 76 CO 0.08 0.00 -0.94 0.50 0.00 0.00 0.00 176.54 176.19 1m1k h LYS 77 N 0.00 0.55 0.00 4.80 1.57 -1.47 -3.09 116.57 118.93 1m1k h LYS 77 Ca -0.00 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1m1k h LYS 77 Cb 0.72 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1m1k h LYS 77 CO 0.05 1.18 -0.04 0.00 -0.57 0.00 0.00 179.45 180.07 1m1k h ALA 78 N 0.63 1.30 0.05 3.86 0.00 -1.45 -2.65 119.26 121.00 1m1k h ALA 78 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1m1k h ALA 78 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1m1k h ALA 78 CO 0.17 0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.73 1m1k h VAL 79 N 0.00 1.17 -0.84 0.00 2.07 -1.44 -2.88 116.25 114.33 1m1k h VAL 79 Ca -0.00 -0.74 0.21 0.00 0.82 0.00 0.00 66.70 66.99 1m1k h VAL 79 Cb 0.15 1.66 -0.14 0.00 -1.52 0.00 0.00 31.29 31.43 1m1k h VAL 79 CO 0.01 0.19 0.10 0.24 0.02 0.00 0.00 177.57 178.12 1m1k h MET 80 N -0.39 0.13 0.00 1.57 2.07 -1.55 -3.05 114.93 113.71 1m1k h MET 80 Ca -0.01 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1m1k h MET 80 Cb 0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1m1k h MET 80 CO 0.01 0.09 0.00 1.63 1.07 0.00 0.00 176.91 179.71 1m1k n LYS 81 N -5.32 0.00 0.00 1.72 5.02 -1.19 -5.17 118.16 113.22 1m1k n LYS 81 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1m1k n LYS 81 Cb 0.59 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1m1k n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88