#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cm0 s GLY 4 N 0.00 0.53 -0.00 7.63 0.00 -0.70 -4.73 107.32 110.05 3cm0 s GLY 4 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3cm0 s GLY 4 CO 0.00 -0.48 -0.03 1.20 0.00 0.00 0.00 173.10 173.79 3cm0 s GLN 5 N -3.28 0.26 0.08 2.90 -0.21 0.14 -0.81 119.66 118.74 3cm0 s GLN 5 Ca 0.19 -0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.52 3cm0 s GLN 5 Cb -0.03 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.69 3cm0 s GLN 5 CO 0.11 0.06 -0.15 0.00 -2.12 0.00 0.00 175.29 173.20 3cm0 s ALA 6 N -0.04 1.30 -0.02 6.09 0.00 0.61 -1.55 121.76 128.15 3cm0 s ALA 6 Ca 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3cm0 s ALA 6 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3cm0 s ALA 6 CO -0.00 0.18 -0.08 0.08 0.00 0.00 0.00 175.76 175.94 3cm0 s VAL 7 N -1.37 0.68 -0.09 0.00 1.01 -0.47 -0.78 120.40 119.38 3cm0 s VAL 7 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3cm0 s VAL 7 Cb -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3cm0 s VAL 7 CO 0.03 0.22 -0.17 -0.63 0.00 0.00 0.00 175.10 174.55 3cm0 s ILE 8 N 0.19 2.77 -0.14 2.22 1.01 -0.99 -0.90 121.20 125.36 3cm0 s ILE 8 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 3cm0 s ILE 8 Cb -0.08 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3cm0 s ILE 8 CO 0.00 0.55 -0.05 -0.36 0.00 0.00 0.00 174.94 175.08 3cm0 s PHE 9 N -0.04 2.99 0.05 3.97 0.08 -0.10 -0.20 117.98 124.73 3cm0 s PHE 9 Ca -0.04 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.77 3cm0 s PHE 9 Cb -0.14 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3cm0 s PHE 9 CO 0.04 -0.01 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.46 3cm0 s LEU 10 N 0.21 2.19 0.00 -0.37 1.43 0.11 -4.21 118.68 118.03 3cm0 s LEU 10 Ca -0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3cm0 s LEU 10 Cb -0.14 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3cm0 s LEU 10 CO 0.03 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3cm0 n GLY 11 N 1.76 1.90 3.83 -3.19 0.00 -1.26 -1.80 105.19 106.43 3cm0 n GLY 11 Ca -0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3cm0 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cm0 s PRO 12 N -2.00 2.44 0.40 1.61 0.04 -1.26 -4.96 135.00 131.27 3cm0 s PRO 12 Ca 0.00 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.42 3cm0 s PRO 12 Cb 0.00 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3cm0 s PRO 12 CO 0.00 -1.37 1.48 -2.14 0.04 0.00 0.00 177.00 175.01 3cm0 s PRO 13 N -5.19 4.00 0.00 0.56 0.02 -1.26 -2.06 135.00 131.08 3cm0 s PRO 13 Ca 0.60 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.17 3cm0 s PRO 13 Cb -0.13 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3cm0 s PRO 13 CO 0.54 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 3cm0 n GLY 14 N 0.47 1.05 0.05 0.52 0.00 -1.26 -4.89 105.19 101.13 3cm0 n GLY 14 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3cm0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cm0 n ALA 15 N -1.06 3.30 -2.16 4.61 0.00 -0.87 -4.90 120.51 119.42 3cm0 n ALA 15 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 3cm0 n ALA 15 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3cm0 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cm0 n GLY 16 N 1.46 0.00 0.18 0.00 0.00 -1.26 -4.92 105.19 100.66 3cm0 n GLY 16 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3cm0 n GLY 16 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cm0 h LYS 17 N 0.00 0.09 -0.53 1.61 2.10 -1.93 -2.72 116.57 115.21 3cm0 h LYS 17 Ca -0.34 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.19 3cm0 h LYS 17 Cb 1.22 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 3cm0 h LYS 17 CO 0.42 0.50 0.05 0.78 -2.00 0.00 0.00 179.45 179.20 3cm0 h GLY 18 N 1.26 0.96 1.35 0.07 0.00 -1.97 -0.24 103.07 104.50 3cm0 h GLY 18 Ca 0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3cm0 h GLY 18 CO 0.06 0.62 0.09 -0.84 0.00 0.00 0.00 176.54 176.47 3cm0 h THR 19 N 0.77 1.23 -0.29 4.70 2.02 -1.94 0.09 112.91 119.49 3cm0 h THR 19 Ca 0.16 -0.86 -0.18 0.00 0.77 0.00 0.00 66.41 66.29 3cm0 h THR 19 Cb 0.46 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3cm0 h THR 19 CO 0.02 0.32 -0.51 1.56 0.37 0.00 0.00 175.52 177.27 3cm0 h GLN 20 N 0.78 0.83 -0.67 6.66 1.08 -1.16 -1.26 115.11 121.37 3cm0 h GLN 20 Ca 0.17 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3cm0 h GLN 20 Cb 0.34 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3cm0 h GLN 20 CO 0.00 1.14 0.42 0.00 -0.95 0.00 0.00 178.83 179.44 3cm0 h ALA 21 N 0.76 0.85 -0.44 3.87 0.00 -0.70 -0.52 119.26 123.08 3cm0 h ALA 21 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3cm0 h ALA 21 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3cm0 h ALA 21 CO 0.11 0.31 0.02 0.77 0.00 0.00 0.00 179.25 180.46 3cm0 h SER 22 N 0.91 0.66 -0.18 0.00 0.02 -0.77 -1.16 113.55 113.03 3cm0 h SER 22 Ca 0.24 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 3cm0 h SER 22 Cb -0.06 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.32 3cm0 h SER 22 CO -0.05 0.72 -0.72 -0.09 -1.14 0.00 0.00 176.83 175.55 3cm0 h ARG 23 N 0.66 0.81 -0.39 3.45 2.43 -0.84 -1.73 114.38 118.77 3cm0 h ARG 23 Ca 0.14 -0.63 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 3cm0 h ARG 23 Cb 0.39 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3cm0 h ARG 23 CO 0.01 1.24 -0.02 1.25 -1.51 0.00 0.00 179.97 180.94 3cm0 h LEU 24 N 0.56 0.60 0.51 3.80 5.85 -0.96 -1.42 115.31 124.24 3cm0 h LEU 24 Ca -0.04 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3cm0 h LEU 24 Cb 1.34 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3cm0 h LEU 24 CO 0.15 0.69 -0.24 0.00 -0.34 0.00 0.00 178.44 178.69 3cm0 h ALA 25 N 1.38 -0.68 -0.86 1.25 0.00 -1.10 -1.21 119.26 118.04 3cm0 h ALA 25 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3cm0 h ALA 25 Cb 0.41 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3cm0 h ALA 25 CO 0.02 -0.83 0.57 1.96 0.00 0.00 0.00 179.25 180.97 3cm0 h GLN 26 N -0.79 1.12 0.00 0.00 4.20 -1.21 -1.56 115.11 116.87 3cm0 h GLN 26 Ca -0.07 -0.07 -0.24 0.00 0.06 0.00 0.00 58.65 58.33 3cm0 h GLN 26 Cb 0.57 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.11 3cm0 h GLN 26 CO 0.11 0.74 -0.99 0.93 -0.67 0.00 0.00 178.83 178.95 3cm0 h GLU 27 N 1.15 0.53 -0.17 1.46 5.08 -1.22 -3.36 114.58 118.05 3cm0 h GLU 27 Ca 0.32 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3cm0 h GLU 27 Cb -0.12 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3cm0 h GLU 27 CO -0.07 1.20 0.00 1.28 -1.00 0.00 0.00 179.01 180.42 3cm0 n LEU 28 N -3.79 2.70 -0.20 1.33 4.77 -0.46 -4.99 117.00 116.35 3cm0 n LEU 28 Ca -0.09 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3cm0 n LEU 28 Cb 0.86 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3cm0 n LEU 28 CO 0.53 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3cm0 n GLY 29 N 0.97 0.69 3.87 -0.72 0.00 -0.65 -5.06 105.19 104.29 3cm0 n GLY 29 Ca 0.12 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3cm0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cm0 s PHE 30 N -2.40 3.61 -0.27 1.61 0.08 -0.84 -4.69 117.98 115.07 3cm0 s PHE 30 Ca 0.00 0.72 -0.21 0.00 0.12 0.00 0.00 56.93 57.56 3cm0 s PHE 30 Cb 0.00 -2.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 3cm0 s PHE 30 CO 0.00 0.59 0.65 0.21 -0.10 0.00 0.00 175.22 176.57 3cm0 s LYS 31 N -1.66 4.04 -0.40 0.44 2.20 0.64 -4.57 119.74 120.43 3cm0 s LYS 31 Ca 0.28 0.49 -0.25 0.00 -0.36 0.00 0.00 55.97 56.13 3cm0 s LYS 31 Cb -0.14 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 3cm0 s LYS 31 CO 0.16 -0.48 0.90 0.21 -0.36 0.00 0.00 175.35 175.78 3cm0 s LYS 32 N 2.58 3.72 0.20 4.03 2.20 -1.26 -0.96 119.74 130.25 3cm0 s LYS 32 Ca 0.27 0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 56.11 3cm0 s LYS 32 Cb -0.15 -3.85 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 3cm0 s LYS 32 CO 0.10 -1.02 0.63 -0.51 -0.36 0.00 0.00 175.35 174.19 3cm0 s LEU 33 N 3.50 4.29 -0.17 5.43 1.43 -0.16 -4.96 118.68 128.04 3cm0 s LEU 33 Ca 0.37 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3cm0 s LEU 33 Cb -0.12 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.64 3cm0 s LEU 33 CO 0.21 0.02 0.06 -0.55 0.23 0.00 0.00 176.35 176.32 3cm0 s SER 34 N -1.82 2.50 0.18 2.29 0.15 -1.26 -4.31 113.70 111.42 3cm0 s SER 34 Ca 0.43 -0.65 -0.13 0.00 0.70 0.00 0.00 55.95 56.29 3cm0 s SER 34 Cb -0.15 -0.39 0.08 0.00 -1.71 0.00 0.00 66.02 63.85 3cm0 s SER 34 CO 0.20 -0.32 1.83 0.71 1.20 0.00 0.00 173.24 176.86 3cm0 h THR 35 N 6.46 1.16 -0.39 6.45 1.35 -1.95 -2.33 112.91 123.65 3cm0 h THR 35 Ca -0.16 -0.32 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 3cm0 h THR 35 Cb 1.14 0.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.88 3cm0 h THR 35 CO 0.30 0.15 0.18 1.23 -0.25 0.00 0.00 175.52 177.14 3cm0 h GLY 36 N 0.76 0.53 0.96 5.82 0.00 -1.99 -2.55 103.07 106.59 3cm0 h GLY 36 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3cm0 h GLY 36 CO -0.04 0.08 0.18 -0.55 0.00 0.00 0.00 176.54 176.21 3cm0 h ASP 37 N 0.37 0.43 -0.28 0.19 3.32 -1.93 -1.77 116.42 116.76 3cm0 h ASP 37 Ca 0.17 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3cm0 h ASP 37 Cb 0.10 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3cm0 h ASP 37 CO -0.13 0.41 0.09 0.40 -1.72 0.00 0.00 179.24 178.29 3cm0 h ILE 38 N 0.43 0.92 -0.43 0.35 2.04 -1.29 -0.45 117.51 119.08 3cm0 h ILE 38 Ca 0.12 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3cm0 h ILE 38 Cb 0.08 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3cm0 h ILE 38 CO -0.02 0.04 0.12 0.25 0.00 0.00 0.00 178.15 178.54 3cm0 h LEU 39 N 0.22 0.63 -0.94 1.44 5.85 -1.39 -0.83 115.31 120.29 3cm0 h LEU 39 Ca 0.13 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3cm0 h LEU 39 Cb 0.10 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3cm0 h LEU 39 CO -0.13 0.69 0.61 -0.09 -0.34 0.00 0.00 178.44 179.18 3cm0 h ARG 40 N 0.55 1.17 -0.23 1.25 2.43 -1.03 -0.71 114.38 117.80 3cm0 h ARG 40 Ca 0.14 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3cm0 h ARG 40 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3cm0 h ARG 40 CO -0.00 0.77 0.14 0.22 -1.51 0.00 0.00 179.97 179.59 3cm0 h ASP 41 N 1.20 0.28 -0.37 -3.80 3.58 -0.75 0.28 116.42 116.84 3cm0 h ASP 41 Ca 0.37 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.80 3cm0 h ASP 41 Cb -0.03 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3cm0 h ASP 41 CO -0.11 0.24 0.18 0.45 -2.88 0.00 0.00 179.24 177.11 3cm0 h HIS 42 N 0.29 0.33 -0.40 0.28 3.86 -0.49 -0.95 115.15 118.06 3cm0 h HIS 42 Ca 0.08 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 3cm0 h HIS 42 Cb 0.01 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3cm0 h HIS 42 CO -0.05 0.17 -0.12 0.28 0.86 0.00 0.00 177.93 179.08 3cm0 h VAL 43 N 0.37 1.28 0.12 2.45 2.07 -0.94 -1.98 116.25 119.61 3cm0 h VAL 43 Ca 0.16 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3cm0 h VAL 43 Cb 0.07 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3cm0 h VAL 43 CO -0.11 0.41 -0.31 0.00 0.02 0.00 0.00 177.57 177.57 3cm0 h ALA 44 N 0.84 -0.53 0.00 1.67 0.00 -0.08 -1.32 119.26 119.84 3cm0 h ALA 44 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cm0 h ALA 44 Cb 0.65 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3cm0 h ALA 44 CO 0.04 -0.85 0.00 0.54 0.00 0.00 0.00 179.25 178.98 3cm0 n ARG 45 N -5.41 0.43 -2.92 0.00 1.74 -0.39 -4.86 116.66 105.24 3cm0 n ARG 45 Ca -0.07 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.82 3cm0 n ARG 45 Cb 0.32 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3cm0 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cm0 n GLY 46 N -0.05 -0.49 3.69 -0.13 0.00 -0.50 -4.97 105.19 102.75 3cm0 n GLY 46 Ca 0.11 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3cm0 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cm0 s THR 47 N -3.15 2.56 0.30 2.61 -4.23 -0.79 -4.70 115.64 108.24 3cm0 s THR 47 Ca 0.26 0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3cm0 s THR 47 Cb -0.11 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.44 3cm0 s THR 47 CO 0.32 -0.24 1.92 -0.65 -0.54 0.00 0.00 174.62 175.43 3cm0 h PRO 48 N -1.69 1.03 -0.31 3.99 0.11 -1.93 0.62 132.00 133.82 3cm0 h PRO 48 Ca -0.50 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3cm0 h PRO 48 Cb 1.28 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3cm0 h PRO 48 CO 0.52 0.68 -0.08 1.25 -0.21 0.00 0.00 178.00 180.16 3cm0 h LEU 49 N 1.06 0.61 -0.78 2.35 5.85 -1.91 -2.66 115.31 119.83 3cm0 h LEU 49 Ca 0.38 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3cm0 h LEU 49 Cb 0.13 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3cm0 h LEU 49 CO -0.13 0.84 0.48 1.23 -0.34 0.00 0.00 178.44 180.52 3cm0 h GLY 50 N 0.38 1.15 2.00 3.75 0.00 -1.42 -1.40 103.07 107.53 3cm0 h GLY 50 Ca 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3cm0 h GLY 50 CO 0.03 0.26 -0.15 0.83 0.00 0.00 0.00 176.54 177.51 3cm0 h GLU 51 N 0.90 0.00 0.09 4.80 4.39 -0.80 0.01 114.58 123.98 3cm0 h GLU 51 Ca 0.33 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.76 3cm0 h GLU 51 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3cm0 h GLU 51 CO -0.15 0.15 -1.16 0.00 -1.16 0.00 0.00 179.01 176.69 3cm0 h ARG 52 N 0.00 0.45 0.00 2.33 2.47 -0.93 -3.31 114.38 115.39 3cm0 h ARG 52 Ca -0.00 -0.61 -0.05 0.00 -1.26 0.00 0.00 59.98 58.05 3cm0 h ARG 52 Cb 0.48 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 3cm0 h ARG 52 CO 0.02 1.25 -0.57 -0.39 0.56 0.00 0.00 179.97 180.84 3cm0 h VAL 53 N 0.20 0.32 -0.60 2.04 -1.51 -1.07 -3.36 116.25 112.27 3cm0 h VAL 53 Ca -0.14 -1.49 0.12 0.00 -1.23 0.00 0.00 66.70 63.96 3cm0 h VAL 53 Cb 1.84 2.01 -0.11 0.00 -2.13 0.00 0.00 31.29 32.91 3cm0 h VAL 53 CO 0.21 0.18 -0.07 -0.09 -1.23 0.00 0.00 177.57 176.56 3cm0 h ARG 54 N 0.00 0.05 -0.42 5.19 2.43 -1.08 -1.39 114.38 119.16 3cm0 h ARG 54 Ca -0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3cm0 h ARG 54 Cb 1.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3cm0 h ARG 54 CO 0.03 0.04 0.26 -1.00 -1.51 0.00 0.00 179.97 177.78 3cm0 h PRO 55 N 0.05 0.56 -0.30 0.20 0.13 -1.76 -0.60 132.00 130.29 3cm0 h PRO 55 Ca 0.30 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.35 3cm0 h PRO 55 Cb 0.48 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3cm0 h PRO 55 CO -0.56 0.39 0.04 0.82 -0.23 0.00 0.00 178.00 178.46 3cm0 h ILE 56 N 0.57 1.23 -0.52 -3.56 2.04 -1.49 -1.92 117.51 113.86 3cm0 h ILE 56 Ca 0.15 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 3cm0 h ILE 56 Cb -0.03 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3cm0 h ILE 56 CO -0.03 0.26 0.08 0.24 0.00 0.00 0.00 178.15 178.70 3cm0 h MET 57 N 0.31 0.87 -0.41 2.37 2.86 -0.83 -2.03 114.93 118.09 3cm0 h MET 57 Ca 0.09 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 3cm0 h MET 57 Cb 0.35 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3cm0 h MET 57 CO 0.01 0.86 -0.09 0.93 1.06 0.00 0.00 176.91 179.67 3cm0 h GLU 58 N 0.76 0.71 0.00 1.72 5.08 -1.03 -0.95 114.58 120.86 3cm0 h GLU 58 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3cm0 h GLU 58 Cb 0.42 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3cm0 h GLU 58 CO 0.01 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.35 3cm0 n ARG 59 N -4.18 0.45 -0.94 2.33 1.74 -0.73 -4.84 116.66 110.49 3cm0 n ARG 59 Ca 0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3cm0 n ARG 59 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3cm0 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cm0 n GLY 60 N 0.29 0.73 3.82 -0.13 0.00 -0.36 -5.02 105.19 104.52 3cm0 n GLY 60 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3cm0 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cm0 s ASP 61 N -2.45 4.57 0.12 1.61 1.01 -0.77 -5.02 116.67 115.73 3cm0 s ASP 61 Ca 0.00 1.24 -0.08 0.00 0.71 0.00 0.00 52.55 54.43 3cm0 s ASP 61 Cb 0.00 -1.97 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 3cm0 s ASP 61 CO 0.00 -1.91 0.41 -0.76 0.21 0.00 0.00 175.17 173.12 3cm0 s LEU 62 N -5.73 4.29 0.07 1.23 1.43 -1.26 -4.52 118.68 114.19 3cm0 s LEU 62 Ca 0.61 0.73 -0.31 0.00 -1.03 0.00 0.00 54.13 54.12 3cm0 s LEU 62 Cb -0.14 -3.21 -0.07 0.00 0.03 0.00 0.00 46.19 42.80 3cm0 s LEU 62 CO 0.54 0.09 1.47 -0.69 0.23 0.00 0.00 176.35 177.99 3cm0 s VAL 63 N -1.56 3.33 0.56 -1.59 1.01 -1.26 -4.95 120.40 115.95 3cm0 s VAL 63 Ca 0.38 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.01 3cm0 s VAL 63 Cb -0.13 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3cm0 s VAL 63 CO 0.21 0.03 1.18 -0.81 0.00 0.00 0.00 175.10 175.70 3cm0 n PRO 64 N 4.84 1.33 -0.03 2.72 -0.04 -1.26 -4.83 135.00 137.72 3cm0 n PRO 64 Ca 0.13 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.18 3cm0 n PRO 64 Cb 0.42 -2.37 0.49 0.00 -0.04 0.00 0.00 33.50 32.00 3cm0 n PRO 64 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3cm0 h ASP 65 N 1.04 0.37 0.18 3.54 3.32 -2.00 -1.70 116.42 121.18 3cm0 h ASP 65 Ca -0.49 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3cm0 h ASP 65 Cb 1.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3cm0 h ASP 65 CO 0.55 0.25 -0.21 -2.24 -1.72 0.00 0.00 179.24 175.86 3cm0 h ASP 66 N 0.43 0.07 0.08 6.45 2.03 -1.99 -0.62 116.42 122.87 3cm0 h ASP 66 Ca 0.22 -0.02 -0.27 0.00 -0.73 0.00 0.00 57.03 56.23 3cm0 h ASP 66 Cb 0.31 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 38.81 3cm0 h ASP 66 CO -0.06 0.30 -1.07 0.25 -1.03 0.00 0.00 179.24 177.63 3cm0 h LEU 67 N 0.07 0.85 -0.33 0.15 5.85 -1.68 -1.51 115.31 118.71 3cm0 h LEU 67 Ca 0.01 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 3cm0 h LEU 67 Cb 0.42 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3cm0 h LEU 67 CO 0.03 1.50 0.18 0.40 -0.34 0.00 0.00 178.44 180.21 3cm0 h ILE 68 N 0.35 1.14 -0.31 4.05 2.04 -1.01 -0.69 117.51 123.08 3cm0 h ILE 68 Ca -0.13 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 3cm0 h ILE 68 Cb 1.72 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3cm0 h ILE 68 CO 0.21 0.14 -0.12 -0.07 0.00 0.00 0.00 178.15 178.31 3cm0 h LEU 69 N 0.41 0.51 -0.44 1.44 -0.00 -1.16 -1.37 115.31 114.71 3cm0 h LEU 69 Ca 0.12 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3cm0 h LEU 69 Cb 0.07 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 3cm0 h LEU 69 CO -0.02 0.67 0.26 -0.08 -0.00 0.00 0.00 178.44 179.27 3cm0 h GLU 70 N 0.49 0.60 -0.76 1.13 4.57 -0.83 -0.71 114.58 119.07 3cm0 h GLU 70 Ca 0.09 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3cm0 h GLU 70 Cb 0.50 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3cm0 h GLU 70 CO 0.03 0.45 0.33 -0.07 -1.18 0.00 0.00 179.01 178.57 3cm0 h LEU 71 N 0.58 1.01 -0.64 1.64 3.38 -0.80 -0.32 115.31 120.15 3cm0 h LEU 71 Ca 0.16 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3cm0 h LEU 71 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3cm0 h LEU 71 CO -0.03 0.88 0.10 0.40 0.09 0.00 0.00 178.44 179.88 3cm0 h ILE 72 N 1.09 1.26 -0.63 1.22 2.04 -0.96 -1.96 117.51 119.57 3cm0 h ILE 72 Ca 0.26 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3cm0 h ILE 72 Cb 0.17 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3cm0 h ILE 72 CO -0.03 0.38 0.33 -0.09 0.00 0.00 0.00 178.15 178.75 3cm0 h ARG 73 N 0.98 0.90 0.00 2.37 2.43 -0.55 0.53 114.38 121.04 3cm0 h ARG 73 Ca 0.19 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3cm0 h ARG 73 Cb 0.44 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3cm0 h ARG 73 CO 0.01 0.70 -0.01 0.93 -1.51 0.00 0.00 179.97 180.09 3cm0 h GLU 74 N 0.87 0.00 0.00 0.20 5.08 -0.82 -2.80 114.58 117.10 3cm0 h GLU 74 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3cm0 h GLU 74 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cm0 h GLU 74 CO -0.03 0.01 -0.84 0.39 -1.00 0.00 0.00 179.01 177.54 3cm0 n GLU 75 N -3.16 1.75 -1.71 2.33 -0.58 -0.56 -5.00 120.64 113.72 3cm0 n GLU 75 Ca -0.02 -0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 3cm0 n GLU 75 Cb 0.15 -1.24 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3cm0 n GLU 75 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3cm0 n LEU 76 N -1.44 5.60 -4.16 -4.62 4.77 0.18 -4.99 117.00 112.33 3cm0 n LEU 76 Ca 0.02 0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3cm0 n LEU 76 Cb 0.26 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.75 3cm0 n LEU 76 CO 0.31 -1.13 -0.06 0.00 -1.33 0.00 0.00 177.39 175.18 3cm0 s ALA 77 N -1.40 1.01 0.42 -1.18 0.00 -1.26 -5.04 121.76 114.31 3cm0 s ALA 77 Ca 0.81 -1.61 0.14 0.00 0.00 0.00 0.00 51.96 51.29 3cm0 s ALA 77 Cb -0.39 1.31 1.00 0.00 0.00 0.00 0.00 23.12 25.04 3cm0 s ALA 77 CO 0.42 -0.69 1.94 0.93 0.00 0.00 0.00 175.76 178.36 3cm0 h GLU 78 N 2.34 0.44 -3.51 0.00 5.08 -1.92 -3.39 114.58 113.62 3cm0 h GLU 78 Ca -0.30 -0.03 -0.43 0.00 -1.00 0.00 0.00 59.36 57.60 3cm0 h GLU 78 Cb 1.24 -0.10 -0.39 0.00 0.50 0.00 0.00 28.75 30.01 3cm0 h GLU 78 CO 0.43 0.29 -0.76 1.03 -1.00 0.00 0.00 179.01 179.01 3cm0 s ARG 79 N -5.44 0.36 0.04 2.33 0.52 -1.26 0.26 118.95 115.76 3cm0 s ARG 79 Ca -0.08 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.28 3cm0 s ARG 79 Cb 0.20 -1.02 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3cm0 s ARG 79 CO 0.76 -0.38 -0.10 0.54 0.02 0.00 0.00 175.30 176.14 3cm0 s VAL 80 N 2.03 0.79 -0.05 3.52 0.11 -0.59 -0.26 120.40 125.94 3cm0 s VAL 80 Ca 0.04 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.17 3cm0 s VAL 80 Cb -0.13 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3cm0 s VAL 80 CO -0.05 -0.17 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.71 3cm0 s ILE 81 N -1.03 1.74 -0.14 7.04 1.01 -0.14 -1.37 121.20 128.32 3cm0 s ILE 81 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3cm0 s ILE 81 Cb -0.08 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 3cm0 s ILE 81 CO 0.01 0.49 -0.09 -0.36 0.00 0.00 0.00 174.94 174.99 3cm0 s PHE 82 N -0.04 2.90 -0.21 3.97 0.08 -0.08 -0.99 117.98 123.61 3cm0 s PHE 82 Ca -0.04 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 3cm0 s PHE 82 Cb -0.13 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.53 3cm0 s PHE 82 CO 0.03 -0.11 0.16 0.34 -0.10 0.00 0.00 175.22 175.53 3cm0 s ASP 83 N 0.29 2.09 0.00 1.36 2.15 -1.26 -0.92 116.67 120.39 3cm0 s ASP 83 Ca -0.07 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.34 3cm0 s ASP 83 Cb -0.15 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 3cm0 s ASP 83 CO 0.04 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 3cm0 n GLY 84 N 5.29 0.90 3.47 2.66 0.00 -1.26 -4.92 105.19 111.34 3cm0 n GLY 84 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3cm0 n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cm0 s PHE 85 N -2.00 -0.64 0.70 1.61 2.19 -1.26 -4.56 117.98 114.02 3cm0 s PHE 85 Ca 0.00 1.54 -0.11 0.00 0.33 0.00 0.00 56.93 58.70 3cm0 s PHE 85 Cb 0.00 0.22 0.01 0.00 -1.31 0.00 0.00 43.02 41.94 3cm0 s PHE 85 CO 0.00 -0.31 1.06 -1.25 1.83 0.00 0.00 175.22 176.56 3cm0 s PRO 86 N 0.34 2.88 -0.07 10.12 0.04 -1.26 -4.77 135.00 142.29 3cm0 s PRO 86 Ca -0.00 0.97 0.13 0.00 0.04 0.00 0.00 61.00 62.14 3cm0 s PRO 86 Cb -0.04 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.33 3cm0 s PRO 86 CO 0.00 -1.14 0.18 0.54 0.04 0.00 0.00 177.00 176.62 3cm0 n ARG 87 N -3.16 1.13 -4.36 4.56 1.74 -1.26 -4.98 116.66 110.33 3cm0 n ARG 87 Ca 0.08 -0.07 -0.19 0.00 -0.77 0.00 0.00 57.85 56.90 3cm0 n ARG 87 Cb 0.53 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.55 3cm0 n ARG 87 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3cm0 s THR 88 N -2.65 1.58 0.32 0.55 -4.23 -1.26 -4.94 115.64 105.01 3cm0 s THR 88 Ca -0.06 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 3cm0 s THR 88 Cb 0.06 -2.19 0.18 0.00 1.34 0.00 0.00 72.50 71.89 3cm0 s THR 88 CO 0.55 -0.48 1.88 0.25 -0.54 0.00 0.00 174.62 176.28 3cm0 h LEU 89 N 2.47 0.67 -0.88 4.79 5.85 -1.94 -0.59 115.31 125.68 3cm0 h LEU 89 Ca -0.39 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3cm0 h LEU 89 Cb 1.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3cm0 h LEU 89 CO 0.64 0.64 0.44 0.00 -0.34 0.00 0.00 178.44 179.82 3cm0 h ALA 90 N 1.46 1.13 -0.23 1.25 0.00 -1.99 -0.12 119.26 120.75 3cm0 h ALA 90 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3cm0 h ALA 90 Cb 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cm0 h ALA 90 CO -0.01 0.67 -0.45 1.96 0.00 0.00 0.00 179.25 181.42 3cm0 h GLN 91 N 1.23 0.58 -0.38 0.00 4.20 -1.80 -1.26 115.11 117.67 3cm0 h GLN 91 Ca 0.30 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3cm0 h GLN 91 Cb 0.09 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3cm0 h GLN 91 CO -0.04 0.91 0.13 0.00 -0.67 0.00 0.00 178.83 179.16 3cm0 h ALA 92 N 1.04 0.50 -0.34 3.87 0.00 -0.40 0.11 119.26 124.05 3cm0 h ALA 92 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3cm0 h ALA 92 Cb 0.96 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3cm0 h ALA 92 CO 0.09 0.13 0.15 0.93 0.00 0.00 0.00 179.25 180.55 3cm0 h GLU 93 N 0.47 0.49 -0.86 0.00 5.08 -0.92 -1.55 114.58 117.30 3cm0 h GLU 93 Ca 0.13 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3cm0 h GLU 93 Cb 0.24 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3cm0 h GLU 93 CO -0.01 0.47 0.43 0.00 -1.00 0.00 0.00 179.01 178.90 3cm0 h ALA 94 N 1.00 1.14 -0.54 3.43 0.00 -1.06 -2.08 119.26 121.15 3cm0 h ALA 94 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3cm0 h ALA 94 Cb 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3cm0 h ALA 94 CO -0.01 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 3cm0 h LEU 95 N 1.21 0.91 -0.93 0.00 5.85 -0.61 -1.63 115.31 120.11 3cm0 h LEU 95 Ca 0.30 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3cm0 h LEU 95 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3cm0 h LEU 95 CO -0.04 0.99 0.26 0.44 -0.34 0.00 0.00 178.44 179.74 3cm0 h ASP 96 N 0.86 0.95 -0.49 1.25 3.32 -0.74 0.57 116.42 122.14 3cm0 h ASP 96 Ca 0.15 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3cm0 h ASP 96 Cb 0.54 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3cm0 h ASP 96 CO 0.03 0.86 0.20 0.03 -1.72 0.00 0.00 179.24 178.65 3cm0 h ARG 97 N 1.01 0.72 -0.59 3.56 3.08 -1.06 -1.21 114.38 119.89 3cm0 h ARG 97 Ca 0.23 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3cm0 h ARG 97 Cb 0.22 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3cm0 h ARG 97 CO -0.02 0.64 0.31 1.25 -1.07 0.00 0.00 179.97 181.08 3cm0 h LEU 98 N 0.65 0.74 -0.71 3.04 5.85 -0.75 0.50 115.31 124.63 3cm0 h LEU 98 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3cm0 h LEU 98 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3cm0 h LEU 98 CO -0.01 0.63 0.22 -0.07 -0.34 0.00 0.00 178.44 178.87 3cm0 h LEU 99 N 0.79 1.04 -0.12 2.25 3.38 -0.75 -1.99 115.31 119.91 3cm0 h LEU 99 Ca 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3cm0 h LEU 99 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3cm0 h LEU 99 CO -0.03 0.98 0.05 -1.28 0.09 0.00 0.00 178.44 178.25 3cm0 h SER 100 N 1.05 0.17 0.10 -0.43 0.87 -0.86 0.96 113.55 115.40 3cm0 h SER 100 Ca 0.23 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3cm0 h SER 100 Cb 0.31 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3cm0 h SER 100 CO -0.01 0.27 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.14 3cm0 h GLU 101 N 0.05 0.00 -0.27 2.24 5.08 -0.75 -2.57 114.58 118.37 3cm0 h GLU 101 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3cm0 h GLU 101 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cm0 h GLU 101 CO -0.00 0.10 0.00 0.25 -1.00 0.00 0.00 179.01 178.35 3cm0 n THR 102 N -4.41 0.33 -2.85 1.13 -2.24 -0.76 -4.95 114.28 100.53 3cm0 n THR 102 Ca -0.03 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 3cm0 n THR 102 Cb 0.17 0.89 0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3cm0 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cm0 n GLY 103 N 1.38 -0.13 3.50 3.38 0.00 -0.71 -4.65 105.19 107.96 3cm0 n GLY 103 Ca 0.18 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3cm0 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cm0 s THR 104 N -3.01 4.82 -0.03 2.61 2.01 0.25 -1.71 115.64 120.57 3cm0 s THR 104 Ca 0.24 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 3cm0 s THR 104 Cb -0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3cm0 s THR 104 CO 0.29 0.20 0.79 -0.60 -0.69 0.00 0.00 174.62 174.62 3cm0 s ARG 105 N 1.67 4.48 -0.51 4.92 3.52 0.01 -4.47 118.95 128.58 3cm0 s ARG 105 Ca 0.06 1.07 -0.26 0.00 -0.13 0.00 0.00 55.73 56.47 3cm0 s ARG 105 Cb -0.16 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3cm0 s ARG 105 CO 0.07 0.05 0.99 -1.17 -0.81 0.00 0.00 175.30 174.43 3cm0 s LEU 106 N 0.78 3.93 0.37 -0.88 2.96 -1.26 -0.28 118.68 124.30 3cm0 s LEU 106 Ca 0.42 -0.02 0.13 0.00 -0.22 0.00 0.00 54.13 54.45 3cm0 s LEU 106 Cb -0.19 -3.09 0.73 0.00 0.50 0.00 0.00 46.19 44.13 3cm0 s LEU 106 CO 0.22 -1.19 1.82 -0.07 -1.32 0.00 0.00 176.35 175.81 3cm0 h LEU 107 N 10.96 0.00 0.00 -0.68 3.38 -1.34 -3.48 115.31 124.16 3cm0 h LEU 107 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3cm0 h LEU 107 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3cm0 h LEU 107 CO 1.08 0.37 0.00 0.61 0.09 0.00 0.00 178.44 180.59 3cm0 n GLY 108 N -0.42 2.18 3.12 0.83 0.00 -1.26 -4.88 105.19 104.76 3cm0 n GLY 108 Ca -0.02 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 3cm0 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cm0 s VAL 109 N -2.00 2.69 -0.13 1.61 1.01 0.02 -2.35 120.40 121.25 3cm0 s VAL 109 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.07 3cm0 s VAL 109 Cb 0.00 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3cm0 s VAL 109 CO 0.00 -0.18 1.03 -0.69 0.00 0.00 0.00 175.10 175.25 3cm0 s VAL 110 N 1.16 4.73 -0.32 2.92 1.01 0.72 -0.28 120.40 130.34 3cm0 s VAL 110 Ca -0.04 2.02 0.00 0.00 0.00 0.00 0.00 61.98 63.96 3cm0 s VAL 110 Cb -0.20 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.95 3cm0 s VAL 110 CO -0.03 -0.04 0.02 -0.22 0.00 0.00 0.00 175.10 174.83 3cm0 s LEU 111 N 2.29 4.17 -0.19 3.92 2.96 0.24 0.04 118.68 132.11 3cm0 s LEU 111 Ca 0.48 -1.57 -0.27 0.00 -0.22 0.00 0.00 54.13 52.55 3cm0 s LEU 111 Cb -0.18 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3cm0 s LEU 111 CO 0.16 -0.31 0.93 -0.69 -1.32 0.00 0.00 176.35 175.11 3cm0 s VAL 112 N 1.14 4.79 -0.11 1.68 1.01 -0.74 -1.09 120.40 127.08 3cm0 s VAL 112 Ca -0.01 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3cm0 s VAL 112 Cb -0.20 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3cm0 s VAL 112 CO -0.04 -0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.27 3cm0 s GLU 113 N 2.57 3.12 -0.03 2.72 2.02 -0.19 -4.46 118.70 124.45 3cm0 s GLU 113 Ca 0.41 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 3cm0 s GLU 113 Cb -0.16 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3cm0 s GLU 113 CO 0.11 0.35 0.07 0.08 0.02 0.00 0.00 175.26 175.89 3cm0 s VAL 114 N -0.01 0.00 0.37 2.63 1.01 -1.26 -0.47 120.40 122.67 3cm0 s VAL 114 Ca -0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 3cm0 s VAL 114 Cb -0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 36.38 36.01 3cm0 s VAL 114 CO 0.04 -0.02 1.44 -2.65 0.00 0.00 0.00 175.10 173.91 3cm0 n PRO 115 N 2.98 2.55 -0.11 2.72 -0.02 -1.26 -4.81 135.00 137.04 3cm0 n PRO 115 Ca -0.13 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3cm0 n PRO 115 Cb 0.59 -2.59 0.31 0.00 -0.02 0.00 0.00 33.50 31.78 3cm0 n PRO 115 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3cm0 h GLU 116 N 2.84 0.77 -0.60 -0.52 4.81 -2.00 -1.16 114.58 118.73 3cm0 h GLU 116 Ca -0.50 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3cm0 h GLU 116 Cb 1.25 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3cm0 h GLU 116 CO 0.64 0.55 0.37 1.05 -0.73 0.00 0.00 179.01 180.89 3cm0 h GLU 117 N 0.79 0.80 -0.16 1.92 9.09 -2.00 -0.48 114.58 124.54 3cm0 h GLU 117 Ca 0.21 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 59.33 3cm0 h GLU 117 Cb -0.01 -0.17 0.01 0.00 -1.65 0.00 0.00 28.75 26.92 3cm0 h GLU 117 CO -0.04 0.56 -0.76 0.93 0.05 0.00 0.00 179.01 179.75 3cm0 h GLU 118 N 0.82 0.81 -0.41 1.06 4.39 -1.60 -1.44 114.58 118.21 3cm0 h GLU 118 Ca 0.22 -0.65 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3cm0 h GLU 118 Cb -0.05 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3cm0 h GLU 118 CO -0.04 1.26 0.24 -0.07 -1.16 0.00 0.00 179.01 179.23 3cm0 h LEU 119 N 0.55 0.49 -0.41 1.33 3.38 -0.86 -0.24 115.31 119.56 3cm0 h LEU 119 Ca -0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3cm0 h LEU 119 Cb 1.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3cm0 h LEU 119 CO 0.16 0.42 0.25 0.58 0.09 0.00 0.00 178.44 179.93 3cm0 h VAL 120 N 0.53 1.13 -0.47 1.22 2.07 -1.08 -0.84 116.25 118.82 3cm0 h VAL 120 Ca 0.14 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3cm0 h VAL 120 Cb 0.02 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3cm0 h VAL 120 CO -0.03 0.13 0.26 0.03 0.02 0.00 0.00 177.57 177.98 3cm0 h ARG 121 N 0.54 0.50 0.22 1.57 3.08 -1.00 -0.36 114.38 118.94 3cm0 h ARG 121 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3cm0 h ARG 121 Cb -0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3cm0 h ARG 121 CO -0.03 0.33 -0.11 0.00 -1.07 0.00 0.00 179.97 179.09 3cm0 h ARG 122 N 0.52 -0.29 -0.23 0.04 3.08 -0.75 -0.49 114.38 116.26 3cm0 h ARG 122 Ca 0.20 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3cm0 h ARG 122 Cb 0.06 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3cm0 h ARG 122 CO -0.11 -0.20 0.14 0.82 -1.07 0.00 0.00 179.97 179.56 3cm0 h ILE 123 N -0.31 1.08 -0.33 2.04 2.04 -0.98 -1.33 117.51 119.72 3cm0 h ILE 123 Ca -0.03 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3cm0 h ILE 123 Cb 0.24 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3cm0 h ILE 123 CO 0.05 0.07 0.03 -0.07 0.00 0.00 0.00 178.15 178.23 3cm0 h LEU 124 N 0.30 0.46 -0.00 1.44 3.38 -0.98 -0.52 115.31 119.38 3cm0 h LEU 124 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cm0 h LEU 124 Cb -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3cm0 h LEU 124 CO -0.02 0.50 -0.00 -0.09 0.09 0.00 0.00 178.44 178.92 3cm0 h ARG 125 N 0.48 0.01 -0.68 1.13 2.43 -0.64 -0.87 114.38 116.24 3cm0 h ARG 125 Ca 0.11 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3cm0 h ARG 125 Cb 0.26 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3cm0 h ARG 125 CO 0.00 0.40 0.42 -0.09 -1.51 0.00 0.00 179.97 179.19 3cm0 h ARG 126 N -0.38 0.91 -0.28 0.20 2.43 -1.10 -1.46 114.38 114.70 3cm0 h ARG 126 Ca 0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3cm0 h ARG 126 Cb 0.39 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3cm0 h ARG 126 CO 0.00 0.63 0.11 0.00 -1.51 0.00 0.00 179.97 179.20 3cm0 h ALA 127 N 1.53 0.36 -0.37 2.80 0.00 -0.95 0.70 119.26 123.33 3cm0 h ALA 127 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3cm0 h ALA 127 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3cm0 h ALA 127 CO -0.05 -0.03 0.23 0.93 0.00 0.00 0.00 179.25 180.33 3cm0 h GLU 128 N 0.30 0.46 -0.45 0.00 5.08 -0.73 -0.64 114.58 118.61 3cm0 h GLU 128 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3cm0 h GLU 128 Cb 0.19 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3cm0 h GLU 128 CO -0.01 0.31 0.22 -0.07 -1.00 0.00 0.00 179.01 178.46 3cm0 h LEU 129 N 0.48 0.58 0.00 1.33 3.38 -1.05 -2.64 115.31 117.39 3cm0 h LEU 129 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3cm0 h LEU 129 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3cm0 h LEU 129 CO -0.05 0.54 0.00 -0.62 0.09 0.00 0.00 178.44 178.40 3cm0 n GLU 130 N -4.66 0.63 -1.31 1.13 1.02 0.22 -4.91 120.64 112.75 3cm0 n GLU 130 Ca 0.01 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 3cm0 n GLU 130 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3cm0 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cm0 n GLY 131 N 1.10 0.74 3.79 0.62 0.00 -0.39 -5.02 105.19 106.03 3cm0 n GLY 131 Ca 0.18 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3cm0 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cm0 s ARG 132 N -2.78 3.51 0.00 1.61 0.52 -0.39 -4.96 118.95 116.47 3cm0 s ARG 132 Ca 0.00 1.45 0.01 0.00 -0.52 0.00 0.00 55.73 56.67 3cm0 s ARG 132 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.44 3cm0 s ARG 132 CO 0.00 -0.69 0.68 0.43 0.02 0.00 0.00 175.30 175.74 3cm0 n SER 133 N -1.30 1.39 -0.07 0.23 7.64 -1.26 -4.65 113.62 115.59 3cm0 n SER 133 Ca 0.10 -1.32 0.11 0.00 1.01 0.00 0.00 58.87 58.78 3cm0 n SER 133 Cb 0.52 -0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.80 3cm0 n SER 133 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3cm0 n ASP 134 N -0.05 0.90 -4.30 6.43 5.75 -1.26 -4.81 116.55 119.21 3cm0 n ASP 134 Ca 0.01 -0.74 -0.39 0.00 -0.01 0.00 0.00 54.79 53.66 3cm0 n ASP 134 Cb 0.10 0.56 -0.11 0.00 -1.03 0.00 0.00 41.12 40.63 3cm0 n ASP 134 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3cm0 s ASP 135 N -2.90 5.54 0.28 -1.12 1.01 -1.26 -4.84 116.67 113.37 3cm0 s ASP 135 Ca 0.12 -1.25 0.06 0.00 0.71 0.00 0.00 52.55 52.19 3cm0 s ASP 135 Cb 0.17 -1.95 -0.06 0.00 1.01 0.00 0.00 42.92 42.09 3cm0 s ASP 135 CO 0.74 -0.42 -0.03 0.54 0.21 0.00 0.00 175.17 176.20 3cm0 s ASN 136 N 1.69 2.57 0.19 0.27 2.20 -1.26 -4.94 114.94 115.66 3cm0 s ASN 136 Ca 0.01 -1.22 -0.16 0.00 -0.94 0.00 0.00 52.86 50.55 3cm0 s ASN 136 Cb -0.21 -0.13 0.16 0.00 -2.00 0.00 0.00 41.25 39.08 3cm0 s ASN 136 CO 0.03 -0.41 1.64 -0.08 -2.94 0.00 0.00 177.10 175.35 3cm0 h GLU 137 N 2.28 -0.02 0.19 3.55 4.81 -1.97 -1.48 114.58 121.94 3cm0 h GLU 137 Ca -0.40 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3cm0 h GLU 137 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3cm0 h GLU 137 CO 0.67 -0.01 -0.29 1.49 -0.73 0.00 0.00 179.01 180.14 3cm0 h GLU 138 N -0.02 -0.53 -0.81 1.92 4.57 -1.99 -0.32 114.58 117.40 3cm0 h GLU 138 Ca 0.25 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3cm0 h GLU 138 Cb 0.40 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 3cm0 h GLU 138 CO -0.54 -0.35 0.51 1.79 -1.18 0.00 0.00 179.01 179.23 3cm0 h THR 139 N -0.55 1.22 -0.14 0.32 1.35 -1.79 -1.06 112.91 112.25 3cm0 h THR 139 Ca 0.01 -0.44 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 3cm0 h THR 139 Cb 0.54 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3cm0 h THR 139 CO -0.12 0.22 -0.05 0.58 -0.25 0.00 0.00 175.52 175.90 3cm0 h VAL 140 N 1.10 1.30 -0.22 6.82 2.07 -1.03 -0.84 116.25 125.45 3cm0 h VAL 140 Ca 0.29 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3cm0 h VAL 140 Cb -0.08 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3cm0 h VAL 140 CO -0.06 0.31 -0.02 0.03 0.02 0.00 0.00 177.57 177.85 3cm0 h ARG 141 N -0.04 0.32 -0.21 1.57 3.08 -0.81 -0.88 114.38 117.41 3cm0 h ARG 141 Ca 0.03 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3cm0 h ARG 141 Cb 0.50 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3cm0 h ARG 141 CO 0.02 0.37 -0.28 -0.09 -1.07 0.00 0.00 179.97 178.91 3cm0 h ARG 142 N 0.31 0.57 -0.30 0.04 2.43 -1.06 -1.97 114.38 114.39 3cm0 h ARG 142 Ca 0.07 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3cm0 h ARG 142 Cb 0.25 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3cm0 h ARG 142 CO 0.01 0.92 0.10 0.00 -1.51 0.00 0.00 179.97 179.49 3cm0 h ARG 143 N 0.25 0.43 -0.10 0.20 3.08 -0.71 -1.31 114.38 116.22 3cm0 h ARG 143 Ca 0.03 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3cm0 h ARG 143 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3cm0 h ARG 143 CO 0.07 0.38 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.76 3cm0 h LEU 144 N 0.43 0.29 -0.55 3.04 3.38 -1.00 -1.57 115.31 119.33 3cm0 h LEU 144 Ca 0.11 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3cm0 h LEU 144 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3cm0 h LEU 144 CO -0.01 0.76 -0.50 -0.08 0.09 0.00 0.00 178.44 178.70 3cm0 h GLU 145 N 0.21 0.58 -0.28 1.13 4.57 -0.57 -0.96 114.58 119.26 3cm0 h GLU 145 Ca 0.01 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.79 3cm0 h GLU 145 Cb 0.99 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3cm0 h GLU 145 CO 0.08 0.95 -0.03 0.28 -1.18 0.00 0.00 179.01 179.12 3cm0 h VAL 146 N 0.46 1.27 -0.56 0.32 2.07 -1.12 -0.92 116.25 117.76 3cm0 h VAL 146 Ca 0.02 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3cm0 h VAL 146 Cb 1.04 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3cm0 h VAL 146 CO 0.10 0.32 0.30 0.22 0.02 0.00 0.00 177.57 178.52 3cm0 h TYR 147 N 0.28 0.55 -0.72 1.57 3.20 -1.17 -0.65 116.97 120.03 3cm0 h TYR 147 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3cm0 h TYR 147 Cb 0.48 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3cm0 h TYR 147 CO 0.04 0.27 0.44 -0.09 -1.64 0.00 0.00 178.16 177.19 3cm0 h ARG 148 N 0.57 0.97 -0.63 1.82 2.43 -0.92 -1.22 114.38 117.40 3cm0 h ARG 148 Ca 0.24 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 3cm0 h ARG 148 Cb 0.13 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3cm0 h ARG 148 CO -0.16 0.68 0.04 0.93 -1.51 0.00 0.00 179.97 179.96 3cm0 h GLU 149 N 0.98 1.07 0.00 0.20 5.08 -0.45 -1.11 114.58 120.36 3cm0 h GLU 149 Ca 0.26 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3cm0 h GLU 149 Cb -0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3cm0 h GLU 149 CO -0.05 1.02 -0.41 0.87 -1.00 0.00 0.00 179.01 179.44 3cm0 h LYS 150 N 0.99 0.00 0.00 2.33 1.57 -1.00 -3.33 116.57 117.14 3cm0 h LYS 150 Ca 0.18 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.73 3cm0 h LYS 150 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3cm0 h LYS 150 CO 0.02 0.41 -1.75 2.41 -0.57 0.00 0.00 179.45 179.97 3cm0 n THR 151 N -3.32 1.25 -0.30 -0.16 -1.04 -0.48 -4.39 114.28 105.84 3cm0 n THR 151 Ca 0.01 -0.74 0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3cm0 n THR 151 Cb 0.62 -0.70 0.29 0.00 -1.82 0.00 0.00 70.33 68.73 3cm0 n THR 151 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3cm0 h GLU 152 N 0.00 0.44 -0.24 -2.82 4.81 -1.31 -0.26 114.58 115.21 3cm0 h GLU 152 Ca -0.27 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3cm0 h GLU 152 Cb 1.80 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 3cm0 h GLU 152 CO 0.05 0.29 -0.02 -1.35 -0.73 0.00 0.00 179.01 177.25 3cm0 h PRO 153 N 0.46 0.36 -0.23 0.92 0.11 -1.79 -1.17 132.00 130.67 3cm0 h PRO 153 Ca 0.53 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 66.38 3cm0 h PRO 153 Cb 0.96 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3cm0 h PRO 153 CO -0.48 0.41 -0.65 -0.07 -0.21 0.00 0.00 178.00 176.99 3cm0 h LEU 154 N 0.35 0.96 -0.58 2.35 3.38 -1.33 -1.75 115.31 118.69 3cm0 h LEU 154 Ca 0.08 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3cm0 h LEU 154 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3cm0 h LEU 154 CO 0.01 1.37 0.37 0.58 0.09 0.00 0.00 178.44 180.86 3cm0 h VAL 155 N 0.62 1.16 -0.80 1.22 2.07 -0.82 -1.32 116.25 118.38 3cm0 h VAL 155 Ca -0.02 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3cm0 h VAL 155 Cb 1.27 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3cm0 h VAL 155 CO 0.14 0.16 0.34 1.23 0.02 0.00 0.00 177.57 179.46 3cm0 h GLY 156 N 0.78 1.27 0.99 2.17 0.00 -1.17 0.70 103.07 107.82 3cm0 h GLY 156 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3cm0 h GLY 156 CO -0.04 0.64 0.20 -1.82 0.00 0.00 0.00 176.54 175.51 3cm0 h TYR 157 N 1.16 0.39 0.07 5.60 3.20 -0.94 -1.82 116.97 124.63 3cm0 h TYR 157 Ca 0.27 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.90 3cm0 h TYR 157 Cb 0.19 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3cm0 h TYR 157 CO 0.02 0.26 -1.11 1.88 -1.64 0.00 0.00 178.16 177.57 3cm0 h TYR 158 N 0.40 0.46 -0.61 -3.82 0.05 -1.08 -3.22 116.97 109.16 3cm0 h TYR 158 Ca 0.11 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.55 3cm0 h TYR 158 Cb -0.03 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3cm0 h TYR 158 CO -0.05 1.19 0.26 1.49 -1.05 0.00 0.00 178.16 180.00 3cm0 h GLU 159 N 0.11 0.88 0.00 4.88 4.81 -0.80 -2.05 114.58 122.40 3cm0 h GLU 159 Ca -0.10 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3cm0 h GLU 159 Cb 1.80 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 3cm0 h GLU 159 CO 0.18 0.71 -0.09 0.00 -0.73 0.00 0.00 179.01 179.09 3cm0 h ALA 160 N 1.41 1.34 -0.30 2.92 0.00 -1.34 -1.49 119.26 121.80 3cm0 h ALA 160 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cm0 h ALA 160 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3cm0 h ALA 160 CO -0.02 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.88 3cm0 n ARG 161 N -3.68 2.30 -1.37 0.00 1.74 -0.80 -4.96 116.66 109.89 3cm0 n ARG 161 Ca -0.02 -1.96 -0.13 0.00 -0.77 0.00 0.00 57.85 54.97 3cm0 n ARG 161 Cb 0.19 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3cm0 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cm0 n GLY 162 N 1.40 1.35 0.58 -0.13 0.00 -0.56 -4.90 105.19 102.94 3cm0 n GLY 162 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3cm0 n GLY 162 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cm0 n VAL 163 N -2.61 0.08 -2.66 1.61 0.24 -1.02 -4.97 118.33 109.00 3cm0 n VAL 163 Ca -0.13 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 3cm0 n VAL 163 Cb 0.43 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 3cm0 n VAL 163 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3cm0 s LEU 164 N -1.16 4.45 -0.34 1.34 2.96 -1.23 -0.80 118.68 123.90 3cm0 s LEU 164 Ca 0.17 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 3cm0 s LEU 164 Cb 0.12 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.33 3cm0 s LEU 164 CO 0.18 -0.18 0.06 -0.54 -1.32 0.00 0.00 176.35 174.54 3cm0 s LYS 165 N 0.32 1.43 0.00 1.98 -0.14 0.61 -4.88 119.74 119.07 3cm0 s LYS 165 Ca 0.50 -1.83 -0.29 0.00 -1.36 0.00 0.00 55.97 52.98 3cm0 s LYS 165 Cb -0.24 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 3cm0 s LYS 165 CO 0.30 -0.95 0.95 1.03 -0.76 0.00 0.00 175.35 175.92 3cm0 s ARG 166 N 0.93 4.56 0.02 1.68 0.52 -1.26 -0.59 118.95 124.80 3cm0 s ARG 166 Ca 0.11 1.36 0.05 0.00 -0.52 0.00 0.00 55.73 56.73 3cm0 s ARG 166 Cb -0.19 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.81 3cm0 s ARG 166 CO -0.09 -0.02 -0.16 0.08 0.02 0.00 0.00 175.30 175.13 3cm0 s VAL 167 N 0.91 1.29 -0.36 3.52 1.01 -0.25 -4.93 120.40 121.58 3cm0 s VAL 167 Ca 0.50 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3cm0 s VAL 167 Cb -0.21 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3cm0 s VAL 167 CO 0.27 0.21 1.21 -0.62 0.00 0.00 0.00 175.10 176.17 3cm0 s ASP 168 N -0.78 6.70 0.00 3.32 2.15 -1.26 -1.03 116.67 125.78 3cm0 s ASP 168 Ca 0.05 0.93 0.15 0.00 0.43 0.00 0.00 52.55 54.12 3cm0 s ASP 168 Cb -0.07 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 3cm0 s ASP 168 CO 0.00 -1.10 1.37 0.61 -0.17 0.00 0.00 175.17 175.88 3cm0 n GLY 169 N 4.40 0.82 3.82 2.66 0.00 0.38 -4.75 105.19 112.52 3cm0 n GLY 169 Ca 0.13 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3cm0 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cm0 s LEU 170 N -1.16 4.44 0.00 0.99 1.43 -1.26 -4.94 118.68 118.17 3cm0 s LEU 170 Ca 0.29 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 3cm0 s LEU 170 Cb 0.16 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3cm0 s LEU 170 CO 0.21 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.59 3cm0 n GLY 171 N 1.26 0.78 3.87 -3.19 0.00 -1.26 -4.76 105.19 101.89 3cm0 n GLY 171 Ca -0.08 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 3cm0 n GLY 171 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cm0 s THR 172 N -0.89 3.41 0.28 2.61 -4.23 -1.26 -4.82 115.64 110.74 3cm0 s THR 172 Ca 0.00 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3cm0 s THR 172 Cb 0.00 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.71 3cm0 s THR 172 CO 0.00 -0.60 1.84 -0.65 -0.54 0.00 0.00 174.62 174.67 3cm0 h PRO 173 N -0.73 0.96 -0.79 3.99 0.11 -1.97 -0.76 132.00 132.81 3cm0 h PRO 173 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3cm0 h PRO 173 Cb 1.26 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3cm0 h PRO 173 CO 0.63 0.64 0.29 -0.44 -0.21 0.00 0.00 178.00 178.91 3cm0 h ASP 174 N 0.99 1.10 -0.33 -2.05 3.32 -1.99 0.96 116.42 118.43 3cm0 h ASP 174 Ca 0.48 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3cm0 h ASP 174 Cb 0.44 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3cm0 h ASP 174 CO -0.26 0.99 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.88 3cm0 h GLU 175 N 1.15 0.61 -0.53 3.56 5.08 -1.54 -1.49 114.58 121.42 3cm0 h GLU 175 Ca 0.26 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3cm0 h GLU 175 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3cm0 h GLU 175 CO -0.02 0.77 0.05 0.28 -1.00 0.00 0.00 179.01 179.08 3cm0 h VAL 176 N 0.39 1.26 -0.64 3.13 2.07 -1.09 -2.30 116.25 119.06 3cm0 h VAL 176 Ca 0.09 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.62 3cm0 h VAL 176 Cb 0.52 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3cm0 h VAL 176 CO 0.03 0.37 0.38 0.22 0.02 0.00 0.00 177.57 178.58 3cm0 h TYR 177 N 0.78 0.71 -0.97 1.57 3.20 -0.75 -0.16 116.97 121.36 3cm0 h TYR 177 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3cm0 h TYR 177 Cb 0.46 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3cm0 h TYR 177 CO 0.03 0.39 0.61 0.00 -1.64 0.00 0.00 178.16 177.55 3cm0 h ALA 178 N 1.30 1.23 -0.51 1.82 0.00 -1.06 -1.19 119.26 120.86 3cm0 h ALA 178 Ca 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3cm0 h ALA 178 Cb 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3cm0 h ALA 178 CO -0.13 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 3cm0 h ARG 179 N 1.32 0.92 -0.19 0.00 3.08 -0.76 -1.40 114.38 117.36 3cm0 h ARG 179 Ca 0.35 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3cm0 h ARG 179 Cb -0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3cm0 h ARG 179 CO -0.07 0.97 0.06 0.82 -1.07 0.00 0.00 179.97 180.68 3cm0 h ILE 180 N 0.83 1.18 -0.70 2.04 2.04 -0.53 0.63 117.51 123.01 3cm0 h ILE 180 Ca 0.14 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3cm0 h ILE 180 Cb 0.61 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3cm0 h ILE 180 CO 0.04 0.18 0.45 0.03 0.00 0.00 0.00 178.15 178.85 3cm0 h ARG 181 N 0.13 0.88 -0.56 2.37 3.08 -1.14 -0.73 114.38 118.42 3cm0 h ARG 181 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3cm0 h ARG 181 Cb 0.22 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3cm0 h ARG 181 CO -0.00 0.59 0.27 0.00 -1.07 0.00 0.00 179.97 179.76 3cm0 h ALA 182 N 1.27 0.72 -0.75 0.04 0.00 -1.07 0.53 119.26 120.00 3cm0 h ALA 182 Ca 0.26 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3cm0 h ALA 182 Cb -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3cm0 h ALA 182 CO -0.08 0.27 0.48 0.00 0.00 0.00 0.00 179.25 179.93 3cm0 h ALA 183 N 1.11 0.96 0.00 0.00 0.00 -0.41 -2.75 119.26 118.17 3cm0 h ALA 183 Ca 0.19 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3cm0 h ALA 183 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3cm0 h ALA 183 CO -0.03 0.32 -0.70 -0.07 0.00 0.00 0.00 179.25 178.77 3cm0 h LEU 184 N 0.97 0.00 0.00 0.00 3.38 -0.84 -3.48 115.31 115.34 3cm0 h LEU 184 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3cm0 h LEU 184 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3cm0 h LEU 184 CO -0.08 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3cm0 n GLY 185 N 1.05 0.47 0.00 0.83 0.00 0.18 -4.97 105.19 102.74 3cm0 n GLY 185 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3cm0 n GLY 185 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61