#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcf s GLU 2 N 0.00 1.93 0.31 0.03 1.03 -1.26 -4.95 118.70 115.79 1xcf s GLU 2 Ca 0.00 -2.92 0.06 0.00 0.03 0.00 0.00 54.97 52.13 1xcf s GLU 2 Cb 0.00 -2.75 0.52 0.00 -0.80 0.00 0.00 34.13 31.10 1xcf s GLU 2 CO 0.00 -1.32 1.76 0.00 -1.33 0.00 0.00 175.26 174.37 1xcf h ARG 3 N 5.50 0.34 -0.22 -4.83 3.08 -1.97 -2.34 114.38 113.94 1xcf h ARG 3 Ca 0.18 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1xcf h ARG 3 Cb 0.81 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1xcf h ARG 3 CO 0.60 0.59 -0.49 1.88 -1.07 0.00 0.00 179.97 181.48 1xcf h TYR 4 N 0.30 0.91 -0.47 3.04 0.05 -1.92 -1.19 116.97 117.69 1xcf h TYR 4 Ca 0.04 -0.34 0.04 0.00 0.05 0.00 0.00 58.73 58.52 1xcf h TYR 4 Cb 0.65 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1xcf h TYR 4 CO 0.01 1.13 0.24 0.93 -1.05 0.00 0.00 178.16 179.43 1xcf h GLU 5 N 0.43 0.47 -0.23 4.88 3.07 -1.85 -0.62 114.58 120.73 1xcf h GLU 5 Ca 0.00 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.66 1xcf h GLU 5 Cb 1.10 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1xcf h GLU 5 CO 0.11 0.31 -0.54 0.66 -1.40 0.00 0.00 179.01 178.15 1xcf h SER 6 N 0.48 0.76 -0.08 1.42 4.64 -1.39 -2.42 113.55 116.97 1xcf h SER 6 Ca 0.20 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1xcf h SER 6 Cb 0.10 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1xcf h SER 6 CO -0.14 1.15 0.03 0.25 -0.87 0.00 0.00 176.83 177.25 1xcf h LEU 7 N 0.53 0.11 -1.32 5.97 5.85 -0.87 -1.77 115.31 123.82 1xcf h LEU 7 Ca 0.01 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1xcf h LEU 7 Cb 1.10 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1xcf h LEU 7 CO 0.11 0.23 0.02 -0.26 -0.34 0.00 0.00 178.44 178.20 1xcf h PHE 8 N -0.03 0.49 -0.39 1.25 0.04 -1.14 -0.07 116.94 117.09 1xcf h PHE 8 Ca 0.03 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1xcf h PHE 8 Cb 0.16 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1xcf h PHE 8 CO -0.02 0.47 -0.32 0.00 -0.60 0.00 0.00 178.31 177.85 1xcf h ALA 9 N 1.56 0.71 -0.13 2.45 0.00 -1.29 -1.84 119.26 120.72 1xcf h ALA 9 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1xcf h ALA 9 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xcf h ALA 9 CO 0.01 0.66 -0.48 1.96 0.00 0.00 0.00 179.25 181.40 1xcf h GLN 10 N 0.72 0.34 -0.23 0.00 4.20 -0.74 -2.69 115.11 116.71 1xcf h GLN 10 Ca 0.08 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 1xcf h GLN 10 Cb 0.88 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1xcf h GLN 10 CO 0.08 0.75 -0.57 -0.07 -0.67 0.00 0.00 178.83 178.36 1xcf h LEU 11 N 0.27 0.81 -0.36 1.46 3.38 -0.88 -3.16 115.31 116.83 1xcf h LEU 11 Ca 0.01 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1xcf h LEU 11 Cb 0.95 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1xcf h LEU 11 CO 0.08 1.21 0.07 0.11 0.09 0.00 0.00 178.44 180.00 1xcf h LYS 12 N 0.55 0.59 0.00 1.13 1.57 -1.27 0.16 116.57 119.30 1xcf h LYS 12 Ca 0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1xcf h LYS 12 Cb 1.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1xcf h LYS 12 CO 0.12 0.65 0.17 0.93 -0.57 0.00 0.00 179.45 180.74 1xcf h GLU 13 N 0.44 0.00 -0.17 3.15 5.08 -1.49 0.32 114.58 121.90 1xcf h GLU 13 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xcf h GLU 13 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xcf h GLU 13 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1xcf n ARG 14 N -2.72 1.73 -3.32 2.33 1.74 -0.60 -4.98 116.66 110.84 1xcf n ARG 14 Ca -0.02 -1.57 -0.24 0.00 -0.77 0.00 0.00 57.85 55.25 1xcf n ARG 14 Cb 0.21 -1.21 0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1xcf n ARG 14 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xcf n LYS 15 N 0.46 -4.41 -4.24 5.56 4.01 0.11 -4.96 118.16 114.69 1xcf n LYS 15 Ca 0.08 0.66 -0.27 0.00 -0.51 0.00 0.00 58.31 58.28 1xcf n LYS 15 Cb 0.33 -5.47 -0.08 0.00 -0.51 0.00 0.00 35.03 29.30 1xcf n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1xcf s GLU 16 N -6.00 2.27 0.40 1.97 2.02 0.40 -4.77 118.70 114.99 1xcf s GLU 16 Ca 0.41 -1.16 0.08 0.00 0.02 0.00 0.00 54.97 54.32 1xcf s GLU 16 Cb -0.20 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.75 1xcf s GLU 16 CO 0.50 0.45 0.54 0.20 0.02 0.00 0.00 175.26 176.98 1xcf s GLY 17 N -2.87 1.90 -0.06 -1.39 0.00 0.65 -4.35 107.32 101.19 1xcf s GLY 17 Ca 0.26 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 1xcf s GLY 17 CO 0.17 -1.48 0.14 0.00 0.00 0.00 0.00 173.10 171.93 1xcf s ALA 18 N -2.33 3.84 -0.21 3.20 0.00 -0.57 -4.81 121.76 120.89 1xcf s ALA 18 Ca 0.53 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1xcf s ALA 18 Cb -0.10 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1xcf s ALA 18 CO 0.32 0.68 -0.10 0.12 0.00 0.00 0.00 175.76 176.79 1xcf s PHE 19 N -1.16 2.90 -0.28 0.00 5.36 -1.26 -0.82 117.98 122.71 1xcf s PHE 19 Ca 0.21 -1.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.02 1xcf s PHE 19 Cb -0.12 -2.04 0.08 0.00 -0.34 0.00 0.00 43.02 40.60 1xcf s PHE 19 CO 0.11 -0.63 -0.01 0.08 -1.46 0.00 0.00 175.22 173.31 1xcf s VAL 20 N 1.40 1.81 0.45 3.12 1.01 0.42 -1.72 120.40 126.89 1xcf s VAL 20 Ca 0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 1xcf s VAL 20 Cb -0.14 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 1xcf s VAL 20 CO -0.06 -0.33 1.05 -2.16 0.00 0.00 0.00 175.10 173.59 1xcf s PRO 21 N 1.21 3.95 -0.20 2.72 0.04 -1.25 -1.83 135.00 139.63 1xcf s PRO 21 Ca 0.01 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1xcf s PRO 21 Cb -0.19 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1xcf s PRO 21 CO -0.09 -0.32 -0.06 0.12 0.04 0.00 0.00 177.00 176.69 1xcf s PHE 22 N -1.84 2.94 -0.05 0.56 2.19 -0.34 -2.00 117.98 119.45 1xcf s PHE 22 Ca 0.63 -0.81 0.03 0.00 0.33 0.00 0.00 56.93 57.12 1xcf s PHE 22 Cb -0.19 -2.04 0.01 0.00 -1.31 0.00 0.00 43.02 39.48 1xcf s PHE 22 CO 0.23 -0.43 -0.12 0.14 1.83 0.00 0.00 175.22 176.88 1xcf s VAL 23 N 1.15 1.09 0.05 3.12 -7.23 -0.49 -4.29 120.40 113.79 1xcf s VAL 23 Ca 0.02 -0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.49 1xcf s VAL 23 Cb -0.14 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.76 1xcf s VAL 23 CO -0.01 0.34 0.60 0.42 -0.31 0.00 0.00 175.10 176.14 1xcf s THR 24 N 0.40 4.78 0.37 5.32 -4.23 -1.26 -1.22 115.64 119.80 1xcf s THR 24 Ca -0.09 1.28 0.05 0.00 -1.18 0.00 0.00 61.69 61.76 1xcf s THR 24 Cb -0.13 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.77 1xcf s THR 24 CO 0.02 0.49 0.52 -0.76 -0.54 0.00 0.00 174.62 174.35 1xcf s LEU 25 N -0.68 3.87 0.00 4.79 1.43 0.31 -4.68 118.68 123.73 1xcf s LEU 25 Ca 0.31 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1xcf s LEU 25 Cb -0.19 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1xcf s LEU 25 CO 0.19 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1xcf n GLY 26 N -1.75 2.48 0.00 -3.19 0.00 -1.26 -4.36 105.19 97.11 1xcf n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xcf n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xcf n ASP 27 N 0.00 0.00 -4.85 1.61 8.00 -1.26 -3.83 116.55 116.22 1xcf n ASP 27 Ca 0.00 0.46 -0.22 0.00 0.71 0.00 0.00 54.79 55.74 1xcf n ASP 27 Cb 0.00 -0.30 0.09 0.00 -0.02 0.00 0.00 41.12 40.89 1xcf n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1xcf s LEU 28 N -2.80 3.02 1.04 0.64 -0.00 -1.26 -4.76 118.68 114.56 1xcf s LEU 28 Ca 0.00 -0.66 -0.14 0.00 -0.00 0.00 0.00 54.13 53.33 1xcf s LEU 28 Cb 0.00 -1.71 0.21 0.00 -0.00 0.00 0.00 46.19 44.68 1xcf s LEU 28 CO 0.00 -1.63 1.11 -0.83 -0.00 0.00 0.00 176.35 175.00 1xcf s GLY 29 N -4.72 1.57 0.16 -3.48 0.00 -1.26 -4.75 107.32 94.84 1xcf s GLY 29 Ca 0.64 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 1xcf s GLY 29 CO 0.42 0.12 1.65 1.19 0.00 0.00 0.00 173.10 176.48 1xcf h ILE 30 N -2.00 0.52 -0.24 0.90 2.10 -1.99 -1.54 117.51 115.26 1xcf h ILE 30 Ca -0.52 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.46 1xcf h ILE 30 Cb 1.32 0.52 -0.04 0.00 -1.09 0.00 0.00 36.82 37.53 1xcf h ILE 30 CO 0.53 0.00 -0.01 -0.08 -1.08 0.00 0.00 178.15 177.51 1xcf h GLU 31 N -0.08 0.06 -0.50 2.19 4.81 -1.99 0.92 114.58 119.99 1xcf h GLU 31 Ca 0.18 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1xcf h GLU 31 Cb 0.36 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1xcf h GLU 31 CO -0.42 0.04 0.07 0.37 -0.73 0.00 0.00 179.01 178.33 1xcf h GLN 32 N 0.06 0.84 -0.49 1.92 5.75 -1.88 -1.57 115.11 119.73 1xcf h GLN 32 Ca 0.12 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1xcf h GLN 32 Cb 0.15 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1xcf h GLN 32 CO -0.21 0.84 0.31 0.77 -2.65 0.00 0.00 178.83 177.90 1xcf h SER 33 N 0.71 0.53 -0.28 -0.69 0.02 -0.95 -1.23 113.55 111.66 1xcf h SER 33 Ca 0.15 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1xcf h SER 33 Cb 0.42 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1xcf h SER 33 CO 0.01 0.38 0.08 -0.07 -1.14 0.00 0.00 176.83 176.09 1xcf h LEU 34 N 0.64 0.49 -0.16 5.07 3.38 -0.64 -1.37 115.31 122.72 1xcf h LEU 34 Ca 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xcf h LEU 34 Cb -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1xcf h LEU 34 CO -0.06 0.51 -0.00 0.11 0.09 0.00 0.00 178.44 179.09 1xcf h LYS 35 N 0.53 0.28 -0.01 1.13 1.57 -0.44 0.00 116.57 119.63 1xcf h LYS 35 Ca 0.12 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xcf h LYS 35 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1xcf h LYS 35 CO -0.00 0.51 -0.06 0.82 -0.57 0.00 0.00 179.45 180.15 1xcf h ILE 36 N 0.02 0.83 -0.67 1.86 1.08 -0.93 -0.10 117.51 119.60 1xcf h ILE 36 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1xcf h ILE 36 Cb 0.39 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1xcf h ILE 36 CO 0.01 0.00 0.35 0.40 -0.69 0.00 0.00 178.15 178.22 1xcf h ILE 37 N -0.10 1.22 -0.92 -0.67 2.04 -1.23 -0.99 117.51 116.85 1xcf h ILE 37 Ca 0.03 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1xcf h ILE 37 Cb 0.14 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1xcf h ILE 37 CO -0.08 0.24 0.61 0.44 0.00 0.00 0.00 178.15 179.37 1xcf h ASP 38 N 0.92 1.05 -0.49 1.72 3.32 -0.65 -2.31 116.42 119.98 1xcf h ASP 38 Ca 0.23 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1xcf h ASP 38 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1xcf h ASP 38 CO -0.03 0.75 -0.16 0.74 -1.72 0.00 0.00 179.24 178.82 1xcf h THR 39 N 1.23 1.27 -0.68 0.35 2.02 -0.53 -1.57 112.91 115.01 1xcf h THR 39 Ca 0.35 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1xcf h THR 39 Cb -0.11 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1xcf h THR 39 CO -0.09 0.45 0.37 -0.07 0.37 0.00 0.00 175.52 176.56 1xcf h LEU 40 N 0.82 0.84 -0.23 2.58 3.38 -0.88 0.44 115.31 122.26 1xcf h LEU 40 Ca 0.12 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1xcf h LEU 40 Cb 0.73 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xcf h LEU 40 CO 0.06 0.67 -0.19 0.40 0.09 0.00 0.00 178.44 179.47 1xcf h ILE 41 N 0.95 1.32 0.00 1.22 2.04 -1.27 -1.29 117.51 120.47 1xcf h ILE 41 Ca 0.24 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1xcf h ILE 41 Cb 0.02 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1xcf h ILE 41 CO -0.04 0.41 -0.36 -0.08 0.00 0.00 0.00 178.15 178.08 1xcf h GLU 42 N 0.23 0.00 0.00 2.37 4.81 -0.82 -2.60 114.58 118.57 1xcf h GLU 42 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1xcf h GLU 42 Cb 0.72 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xcf h GLU 42 CO 0.05 0.36 -0.10 0.00 -0.73 0.00 0.00 179.01 178.58 1xcf h ALA 43 N 1.64 0.98 0.00 2.92 0.00 0.10 -3.47 119.26 121.43 1xcf h ALA 43 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xcf h ALA 43 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xcf h ALA 43 CO 0.05 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1xcf n GLY 44 N 0.45 -0.69 3.73 0.00 0.00 -0.78 -4.33 105.19 103.56 1xcf n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1xcf n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xcf s ALA 45 N -0.29 3.77 0.03 4.61 0.00 -0.56 -4.88 121.76 124.44 1xcf s ALA 45 Ca 0.00 1.43 0.10 0.00 0.00 0.00 0.00 51.96 53.49 1xcf s ALA 45 Cb 0.00 -3.62 -0.19 0.00 0.00 0.00 0.00 23.12 19.30 1xcf s ALA 45 CO 0.00 -0.82 1.05 -0.44 0.00 0.00 0.00 175.76 175.54 1xcf h ASP 46 N 6.12 0.00 -5.25 0.00 3.32 -1.69 -3.44 116.42 115.47 1xcf h ASP 46 Ca -0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 1xcf h ASP 46 Cb 1.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.70 1xcf h ASP 46 CO 0.87 0.94 -0.02 0.00 -1.72 0.00 0.00 179.24 179.31 1xcf s ALA 47 N -2.70 -0.12 -0.00 3.45 0.00 -1.24 -4.44 121.76 116.70 1xcf s ALA 47 Ca -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1xcf s ALA 47 Cb 0.09 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 1xcf s ALA 47 CO 0.82 -0.88 -0.10 -0.51 0.00 0.00 0.00 175.76 175.08 1xcf s LEU 48 N -3.09 2.04 -0.19 0.00 1.43 -0.52 -3.92 118.68 114.43 1xcf s LEU 48 Ca 0.22 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1xcf s LEU 48 Cb -0.02 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.73 1xcf s LEU 48 CO 0.13 0.11 -0.12 -0.70 0.23 0.00 0.00 176.35 176.00 1xcf s GLU 49 N -0.33 2.16 -0.12 1.70 2.56 -0.85 -0.47 118.70 123.34 1xcf s GLU 49 Ca 0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 54.97 54.22 1xcf s GLU 49 Cb -0.04 -2.36 -0.02 0.00 2.00 0.00 0.00 34.13 33.71 1xcf s GLU 49 CO -0.00 -0.37 -0.11 -0.51 -0.56 0.00 0.00 175.26 173.71 1xcf s LEU 50 N 1.41 2.86 -0.04 2.70 1.43 0.56 -1.40 118.68 126.19 1xcf s LEU 50 Ca 0.00 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1xcf s LEU 50 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1xcf s LEU 50 CO -0.09 0.20 0.04 -0.83 0.23 0.00 0.00 176.35 175.90 1xcf s GLY 51 N 0.16 1.93 -0.58 -3.19 0.00 -0.36 -0.76 107.32 104.52 1xcf s GLY 51 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1xcf s GLY 51 CO 0.04 -0.68 0.38 -0.42 0.00 0.00 0.00 173.10 172.43 1xcf s ILE 52 N -1.04 3.51 0.64 0.90 1.01 -0.72 -0.53 121.20 124.97 1xcf s ILE 52 Ca 0.18 -2.86 -0.16 0.00 0.00 0.00 0.00 60.65 57.80 1xcf s ILE 52 Cb -0.12 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 1xcf s ILE 52 CO 0.08 -0.84 -0.36 -2.65 0.00 0.00 0.00 174.94 171.17 1xcf n PRO 53 N 3.61 0.00 -0.39 2.79 -0.02 -1.26 -4.43 135.00 135.30 1xcf n PRO 53 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1xcf n PRO 53 Cb 0.38 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1xcf n PRO 53 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xcf n PHE 54 N -1.75 0.00 -1.01 6.00 7.35 -1.26 -4.89 117.46 121.90 1xcf n PHE 54 Ca 0.04 -0.82 0.00 0.00 -0.76 0.00 0.00 57.45 55.91 1xcf n PHE 54 Cb 0.47 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1xcf n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1xcf n VAL 76 N 1.47 0.00 -2.15 -2.13 0.31 -1.25 -5.16 118.33 109.42 1xcf n VAL 76 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1xcf n VAL 76 Cb 0.43 -0.20 0.02 0.00 -0.91 0.00 0.00 33.84 33.19 1xcf n VAL 76 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1xcf s THR 77 N -0.28 4.19 0.45 2.52 -4.23 -1.26 -4.78 115.64 112.24 1xcf s THR 77 Ca 0.00 0.44 0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1xcf s THR 77 Cb 0.00 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.44 1xcf s THR 77 CO 0.00 -0.80 2.08 -0.65 -0.54 0.00 0.00 174.62 174.71 1xcf h PRO 78 N -0.27 0.36 -0.69 3.99 0.11 -2.01 -1.44 132.00 132.06 1xcf h PRO 78 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1xcf h PRO 78 Cb 1.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1xcf h PRO 78 CO 0.62 0.24 0.28 0.00 -0.21 0.00 0.00 178.00 178.93 1xcf h ALA 79 N 1.81 1.18 -0.01 -0.75 0.00 -2.00 -1.65 119.26 117.84 1xcf h ALA 79 Ca 0.12 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1xcf h ALA 79 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xcf h ALA 79 CO -0.03 0.59 -0.63 1.96 0.00 0.00 0.00 179.25 181.15 1xcf h GLN 80 N 1.00 0.04 -0.16 0.00 4.20 -1.66 -2.62 115.11 115.91 1xcf h GLN 80 Ca 0.23 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1xcf h GLN 80 Cb 0.19 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1xcf h GLN 80 CO -0.02 0.66 -0.29 0.00 -0.67 0.00 0.00 178.83 178.50 1xcf h PHE 82 N 0.27 0.00 -0.13 0.00 0.04 -1.07 -1.03 116.94 115.01 1xcf h PHE 82 Ca 0.04 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.65 1xcf h PHE 82 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 1xcf h PHE 82 CO 0.01 0.58 -0.60 0.93 -0.60 0.00 0.00 178.31 178.63 1xcf h GLU 83 N 0.00 0.44 -0.41 1.51 5.08 -1.05 -1.94 114.58 118.20 1xcf h GLU 83 Ca -0.01 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1xcf h GLU 83 Cb 1.19 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1xcf h GLU 83 CO 0.08 0.91 0.02 0.52 -1.00 0.00 0.00 179.01 179.53 1xcf h MET 84 N 0.33 0.72 -0.86 2.33 2.86 -0.82 -1.65 114.93 117.84 1xcf h MET 84 Ca -0.00 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1xcf h MET 84 Cb 1.14 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 1xcf h MET 84 CO 0.11 0.79 0.57 -0.07 1.06 0.00 0.00 176.91 179.36 1xcf h LEU 85 N 0.56 0.97 -0.60 1.22 3.38 -1.05 0.25 115.31 120.05 1xcf h LEU 85 Ca 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xcf h LEU 85 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xcf h LEU 85 CO 0.02 0.70 0.11 0.00 0.09 0.00 0.00 178.44 179.36 1xcf h ALA 86 N 1.47 0.79 -0.27 1.53 0.00 -1.07 -0.32 119.26 121.39 1xcf h ALA 86 Ca 0.32 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xcf h ALA 86 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xcf h ALA 86 CO -0.07 0.53 -0.32 0.82 0.00 0.00 0.00 179.25 180.21 1xcf h ILE 87 N 0.89 1.28 -0.16 0.00 2.04 -0.59 -0.78 117.51 120.19 1xcf h ILE 87 Ca 0.18 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1xcf h ILE 87 Cb 0.41 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1xcf h ILE 87 CO 0.01 0.46 -0.11 0.40 0.00 0.00 0.00 178.15 178.90 1xcf h ILE 88 N 0.50 1.33 -0.83 -0.67 2.04 -0.74 -2.45 117.51 116.68 1xcf h ILE 88 Ca 0.06 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.72 1xcf h ILE 88 Cb 0.80 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1xcf h ILE 88 CO 0.07 0.36 0.54 -0.09 0.00 0.00 0.00 178.15 179.03 1xcf h ARG 89 N 0.03 1.06 -0.78 2.37 9.65 -0.92 0.06 114.38 125.85 1xcf h ARG 89 Ca 0.03 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1xcf h ARG 89 Cb 0.62 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 1xcf h ARG 89 CO 0.03 0.70 0.50 0.93 2.80 0.00 0.00 179.97 184.93 1xcf h GLU 90 N 1.09 1.04 0.00 0.20 3.07 -1.05 -2.95 114.58 115.98 1xcf h GLU 90 Ca 0.31 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1xcf h GLU 90 Cb -0.08 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.58 1xcf h GLU 90 CO -0.08 0.71 -0.70 -0.22 -1.40 0.00 0.00 179.01 177.31 1xcf h LYS 91 N 1.06 0.00 -2.45 2.33 3.64 -0.98 -3.39 116.57 116.78 1xcf h LYS 91 Ca 0.28 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 59.07 1xcf h LYS 91 Cb -0.09 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.33 1xcf h LYS 91 CO -0.06 0.62 -0.82 0.72 -2.27 0.00 0.00 179.45 177.65 1xcf n HIS 92 N -3.24 1.27 0.24 1.91 8.25 -0.03 -4.99 115.22 118.63 1xcf n HIS 92 Ca 0.01 -3.81 0.17 0.00 -0.26 0.00 0.00 57.72 53.83 1xcf n HIS 92 Cb 0.80 -0.28 0.88 0.00 1.12 0.00 0.00 29.99 32.51 1xcf n HIS 92 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xcf h PRO 93 N 4.92 0.00 0.00 -0.41 0.13 -1.73 -3.16 132.00 131.74 1xcf h PRO 93 Ca 0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 1xcf h PRO 93 Cb 0.81 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 1xcf h PRO 93 CO 0.58 0.00 -2.21 0.25 -0.23 0.00 0.00 178.00 176.39 1xcf n THR 94 N -3.66 0.75 -2.11 1.56 -2.24 -1.26 -4.97 114.28 102.35 1xcf n THR 94 Ca 0.00 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1xcf n THR 94 Cb 0.27 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1xcf n THR 94 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1xcf s ILE 95 N -2.96 3.10 0.22 2.28 2.07 -1.20 -4.90 121.20 119.81 1xcf s ILE 95 Ca -0.09 0.81 -0.30 0.00 -1.41 0.00 0.00 60.65 59.66 1xcf s ILE 95 Cb 0.10 -3.52 -0.09 0.00 0.13 0.00 0.00 42.46 39.08 1xcf s ILE 95 CO 0.87 0.07 1.33 -2.84 -1.91 0.00 0.00 174.94 172.45 1xcf s PRO 96 N 0.89 4.37 -0.16 3.50 0.02 -1.26 -4.94 135.00 137.42 1xcf s PRO 96 Ca 0.65 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.77 1xcf s PRO 96 Cb -0.39 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 30.99 1xcf s PRO 96 CO 0.32 -0.26 -0.16 0.42 -0.33 0.00 0.00 177.00 176.99 1xcf s ILE 97 N -0.03 1.74 0.04 2.83 1.01 -1.26 -1.43 121.20 124.09 1xcf s ILE 97 Ca 0.56 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1xcf s ILE 97 Cb -0.37 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1xcf s ILE 97 CO 0.40 0.45 -0.13 -0.83 0.00 0.00 0.00 174.94 174.83 1xcf s GLY 98 N 1.41 1.67 -0.03 6.18 0.00 0.38 -0.49 107.32 116.43 1xcf s GLY 98 Ca 0.04 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1xcf s GLY 98 CO -0.11 -1.04 -0.07 1.08 0.00 0.00 0.00 173.10 172.97 1xcf s LEU 99 N -1.57 3.18 -0.14 0.66 1.43 -0.09 -0.33 118.68 121.83 1xcf s LEU 99 Ca 0.17 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xcf s LEU 99 Cb -0.11 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1xcf s LEU 99 CO 0.08 0.33 -0.12 -0.22 0.23 0.00 0.00 176.35 176.64 1xcf s LEU 100 N -1.10 1.54 0.00 1.79 0.20 0.06 -0.57 118.68 120.60 1xcf s LEU 100 Ca 0.15 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 1xcf s LEU 100 Cb -0.11 -1.08 0.02 0.00 -0.43 0.00 0.00 46.19 44.59 1xcf s LEU 100 CO 0.04 -0.07 0.52 1.15 -0.29 0.00 0.00 176.35 177.70 1xcf n MET 101 N 4.78 0.75 -4.13 1.98 0.00 -0.73 -1.76 117.12 118.01 1xcf n MET 101 Ca -0.16 -2.63 -0.29 0.00 0.00 0.00 0.00 57.70 54.62 1xcf n MET 101 Cb 0.50 2.62 -0.08 0.00 0.00 0.00 0.00 33.22 36.27 1xcf n MET 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1xcf s TYR 102 N -2.91 2.99 0.32 3.17 2.02 -1.26 -1.37 117.35 120.32 1xcf s TYR 102 Ca 0.26 -0.04 0.10 0.00 -0.37 0.00 0.00 57.07 57.03 1xcf s TYR 102 Cb -0.02 -1.52 0.92 0.00 -0.40 0.00 0.00 41.96 40.94 1xcf s TYR 102 CO 0.19 0.49 1.72 0.00 -1.57 0.00 0.00 175.55 176.38 1xcf h ALA 103 N 3.24 1.83 -0.89 3.71 0.00 -1.92 -1.55 119.26 123.68 1xcf h ALA 103 Ca -0.48 0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.75 1xcf h ALA 103 Cb 1.17 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1xcf h ALA 103 CO 0.60 -0.31 0.58 -2.95 0.00 0.00 0.00 179.25 177.17 1xcf h ASN 104 N 0.55 0.47 -0.37 0.00 7.08 -1.98 0.24 115.58 121.57 1xcf h ASN 104 Ca 0.65 0.04 -0.08 0.00 -3.08 0.00 0.00 56.30 53.84 1xcf h ASN 104 Cb 1.28 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 37.47 1xcf h ASN 104 CO -0.48 0.20 -0.07 0.25 -2.08 0.00 0.00 177.43 175.26 1xcf h LEU 105 N 0.48 0.69 -0.33 6.14 5.85 -1.70 -2.00 115.31 124.45 1xcf h LEU 105 Ca 0.46 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1xcf h LEU 105 Cb 1.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1xcf h LEU 105 CO -0.19 0.88 0.07 0.58 -0.34 0.00 0.00 178.44 179.45 1xcf h VAL 106 N 0.49 1.23 0.00 1.05 2.07 -1.10 -2.86 116.25 117.13 1xcf h VAL 106 Ca 0.10 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1xcf h VAL 106 Cb 0.57 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1xcf h VAL 106 CO 0.03 0.26 -0.14 -0.26 0.02 0.00 0.00 177.57 177.47 1xcf h PHE 107 N 0.37 0.00 -0.96 1.57 0.05 -1.01 -2.51 116.94 114.45 1xcf h PHE 107 Ca 0.10 0.00 0.24 0.00 3.82 0.00 0.00 57.97 62.13 1xcf h PHE 107 Cb 0.32 0.00 -0.12 0.00 2.00 0.00 0.00 35.95 38.14 1xcf h PHE 107 CO 0.02 0.14 0.52 -0.97 -0.18 0.00 0.00 178.31 177.84 1xcf h ASN 108 N 0.00 0.55 0.00 2.17 -1.24 -1.11 -3.13 115.58 112.81 1xcf h ASN 108 Ca -0.00 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1xcf h ASN 108 Cb 0.29 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1xcf h ASN 108 CO 0.02 0.06 -0.24 0.29 -1.29 0.00 0.00 177.43 176.27 1xcf n LYS 109 N -4.94 0.45 0.00 6.67 5.02 -1.20 -5.12 118.16 119.04 1xcf n LYS 109 Ca 0.25 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 1xcf n LYS 109 Cb 0.71 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1xcf n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xcf n GLY 110 N -0.26 2.61 0.33 0.72 0.00 -0.95 -4.62 105.19 103.01 1xcf n GLY 110 Ca 0.02 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1xcf n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xcf h ILE 111 N 0.00 0.37 -0.94 -0.61 2.04 -1.89 -0.90 117.51 115.59 1xcf h ILE 111 Ca 0.00 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1xcf h ILE 111 Cb 0.00 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1xcf h ILE 111 CO 0.00 0.03 0.59 -0.78 0.00 0.00 0.00 178.15 177.99 1xcf h ASP 112 N -0.94 0.93 -0.85 1.72 3.58 -1.92 -1.71 116.42 117.23 1xcf h ASP 112 Ca -0.08 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1xcf h ASP 112 Cb 0.65 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 1xcf h ASP 112 CO 0.13 0.58 0.42 -0.33 -2.88 0.00 0.00 179.24 177.17 1xcf h GLU 113 N 1.06 1.22 -0.09 0.28 3.07 -1.79 -0.78 114.58 117.55 1xcf h GLU 113 Ca 0.41 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1xcf h GLU 113 Cb 0.21 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1xcf h GLU 113 CO -0.19 0.93 0.04 0.35 -1.40 0.00 0.00 179.01 178.74 1xcf h PHE 114 N 1.21 0.13 0.00 4.33 3.57 -0.28 -1.99 116.94 123.92 1xcf h PHE 114 Ca 0.29 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1xcf h PHE 114 Cb 0.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1xcf h PHE 114 CO 0.01 0.23 -0.30 1.88 -2.23 0.00 0.00 178.31 177.90 1xcf h TYR 115 N -0.00 0.00 -0.53 0.41 0.05 -1.24 -1.74 116.97 113.92 1xcf h TYR 115 Ca 0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 1xcf h TYR 115 Cb 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1xcf h TYR 115 CO -0.02 0.30 -0.09 0.00 -1.05 0.00 0.00 178.16 177.30 1xcf h ALA 116 N 1.70 0.73 -0.63 3.88 0.00 -0.91 -1.29 119.26 122.74 1xcf h ALA 116 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1xcf h ALA 116 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xcf h ALA 116 CO 0.04 0.63 0.09 -0.09 0.00 0.00 0.00 179.25 179.92 1xcf h ARG 117 N 0.87 1.06 -0.35 0.00 2.43 -0.86 -0.36 114.38 117.17 1xcf h ARG 117 Ca 0.14 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1xcf h ARG 117 Cb 0.65 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1xcf h ARG 117 CO 0.04 0.99 0.17 0.00 -1.51 0.00 0.00 179.97 179.66 1xcf h GLU 119 N 0.43 0.80 -0.17 0.00 4.81 -1.00 -0.27 114.58 119.18 1xcf h GLU 119 Ca 0.12 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1xcf h GLU 119 Cb 0.11 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xcf h GLU 119 CO -0.02 0.55 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.54 1xcf h LYS 120 N 0.81 -0.02 0.00 1.92 3.64 -0.74 -2.62 116.57 119.56 1xcf h LYS 120 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1xcf h LYS 120 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xcf h LYS 120 CO -0.04 -0.01 0.00 -0.39 -2.27 0.00 0.00 179.45 176.73 1xcf h VAL 121 N -0.02 0.00 0.00 2.00 -1.51 -1.14 -3.47 116.25 112.11 1xcf h VAL 121 Ca 0.08 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1xcf h VAL 121 Cb 0.15 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1xcf h VAL 121 CO -0.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.77 1xcf n GLY 122 N 0.85 1.43 3.73 5.19 0.00 -0.53 -4.49 105.19 111.37 1xcf n GLY 122 Ca 0.04 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xcf n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xcf s VAL 123 N -2.00 3.75 0.01 1.61 1.01 -0.23 -4.79 120.40 119.77 1xcf s VAL 123 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.43 1xcf s VAL 123 Cb 0.00 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 1xcf s VAL 123 CO 0.00 0.17 0.88 0.44 0.00 0.00 0.00 175.10 176.59 1xcf h ASP 124 N 5.88 0.10 -5.12 3.32 3.32 -1.11 -3.42 116.42 119.39 1xcf h ASP 124 Ca -0.43 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.39 1xcf h ASP 124 Cb 1.21 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1xcf h ASP 124 CO 0.77 1.13 -0.26 -0.94 -1.72 0.00 0.00 179.24 178.23 1xcf s SER 125 N -6.51 -0.02 -0.03 6.45 1.04 -1.14 -1.24 113.70 112.25 1xcf s SER 125 Ca -0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1xcf s SER 125 Cb 0.08 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1xcf s SER 125 CO 0.83 -0.76 0.01 -0.69 0.98 0.00 0.00 173.24 173.60 1xcf s VAL 126 N -3.73 0.15 -0.26 5.02 1.01 -0.50 -0.91 120.40 121.19 1xcf s VAL 126 Ca 0.03 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1xcf s VAL 126 Cb 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1xcf s VAL 126 CO -0.11 0.15 -0.09 -0.22 0.00 0.00 0.00 175.10 174.84 1xcf s LEU 127 N 1.14 3.36 -0.65 3.92 0.20 0.26 -1.28 118.68 125.64 1xcf s LEU 127 Ca -0.08 -1.19 -0.20 0.00 0.69 0.00 0.00 54.13 53.35 1xcf s LEU 127 Cb -0.13 -1.60 0.10 0.00 -0.43 0.00 0.00 46.19 44.13 1xcf s LEU 127 CO -0.02 -0.17 0.81 -0.69 -0.29 0.00 0.00 176.35 175.98 1xcf s VAL 128 N 1.20 4.71 0.30 1.68 1.01 -1.26 -1.77 120.40 126.27 1xcf s VAL 128 Ca -0.05 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1xcf s VAL 128 Cb -0.19 -4.57 0.29 0.00 0.00 0.00 0.00 36.38 31.92 1xcf s VAL 128 CO -0.05 -1.24 1.78 0.00 0.00 0.00 0.00 175.10 175.58 1xcf h ALA 129 N 9.20 1.60 -0.55 5.51 0.00 -1.61 -2.88 119.26 130.53 1xcf h ALA 129 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xcf h ALA 129 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xcf h ALA 129 CO 1.11 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.92 1xcf n ASP 130 N -4.78 4.58 -4.39 0.00 5.75 -1.26 -4.87 116.55 111.58 1xcf n ASP 130 Ca 0.22 -2.54 -0.38 0.00 -0.01 0.00 0.00 54.79 52.08 1xcf n ASP 130 Cb 0.54 -0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 1xcf n ASP 130 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xcf s VAL 131 N -2.07 4.30 0.62 2.12 1.01 -1.09 -4.94 120.40 120.35 1xcf s VAL 131 Ca 0.46 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1xcf s VAL 131 Cb 0.32 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1xcf s VAL 131 CO 0.19 0.05 1.16 -2.16 0.00 0.00 0.00 175.10 174.34 1xcf s PRO 132 N 1.56 2.93 0.42 2.72 0.04 -1.26 -4.87 135.00 136.53 1xcf s PRO 132 Ca 0.03 1.63 0.16 0.00 0.04 0.00 0.00 61.00 62.86 1xcf s PRO 132 Cb -0.17 -1.95 1.04 0.00 0.04 0.00 0.00 34.50 33.46 1xcf s PRO 132 CO 0.04 -1.19 1.89 0.28 0.04 0.00 0.00 177.00 178.06 1xcf h VAL 133 N 0.57 0.75 0.00 -0.36 2.07 -1.98 -1.05 116.25 116.25 1xcf h VAL 133 Ca -0.49 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1xcf h VAL 133 Cb 1.27 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xcf h VAL 133 CO 0.55 0.08 -0.11 -0.33 0.02 0.00 0.00 177.57 177.78 1xcf h GLU 134 N 0.44 0.00 -0.23 1.57 3.07 -2.04 -2.62 114.58 114.77 1xcf h GLU 134 Ca 0.42 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 1xcf h GLU 134 Cb 0.98 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1xcf h GLU 134 CO -0.15 0.11 -0.01 0.39 -1.40 0.00 0.00 179.01 177.95 1xcf n GLU 135 N -3.72 2.50 0.05 2.33 1.02 -0.42 -4.68 120.64 117.71 1xcf n GLU 135 Ca -0.02 -2.84 0.13 0.00 -0.02 0.00 0.00 57.16 54.40 1xcf n GLU 135 Cb 0.22 -1.78 0.32 0.00 -0.02 0.00 0.00 31.44 30.17 1xcf n GLU 135 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xcf n SER 136 N -0.75 0.55 -0.31 1.62 3.41 -0.99 -4.53 113.62 112.63 1xcf n SER 136 Ca 0.22 0.20 -0.02 0.00 -0.26 0.00 0.00 58.87 59.01 1xcf n SER 136 Cb 0.87 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.72 1xcf n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xcf h ALA 137 N 2.71 0.14 -0.58 7.33 0.00 -1.83 -0.06 119.26 126.96 1xcf h ALA 137 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xcf h ALA 137 Cb 0.64 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1xcf h ALA 137 CO 0.00 -0.61 0.28 -1.00 0.00 0.00 0.00 179.25 177.92 1xcf h PRO 138 N -0.06 0.82 -0.09 0.00 0.13 -1.99 -0.75 132.00 130.06 1xcf h PRO 138 Ca 0.31 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1xcf h PRO 138 Cb 0.59 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 1xcf h PRO 138 CO -0.86 0.64 -0.14 0.74 -0.23 0.00 0.00 178.00 178.14 1xcf h PHE 139 N 0.82 0.31 -0.02 1.56 -1.00 -1.49 -2.23 116.94 114.90 1xcf h PHE 139 Ca 0.20 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.80 1xcf h PHE 139 Cb 0.09 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1xcf h PHE 139 CO 0.01 0.74 -0.36 0.07 -1.61 0.00 0.00 178.31 177.15 1xcf h ARG 140 N -0.20 0.03 -0.00 1.51 0.11 -0.91 -1.00 114.38 113.91 1xcf h ARG 140 Ca 0.01 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.87 1xcf h ARG 140 Cb 0.71 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1xcf h ARG 140 CO 0.03 0.39 -0.89 1.96 0.10 0.00 0.00 179.97 181.56 1xcf h GLN 141 N 0.03 0.31 -0.38 0.08 4.20 -1.15 -1.71 115.11 116.48 1xcf h GLN 141 Ca 0.00 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 1xcf h GLN 141 Cb 0.65 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1xcf h GLN 141 CO 0.05 1.02 -0.22 0.00 -0.67 0.00 0.00 178.83 179.01 1xcf h ALA 142 N 0.86 0.89 0.23 3.87 0.00 -1.08 -1.20 119.26 122.84 1xcf h ALA 142 Ca -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1xcf h ALA 142 Cb 1.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xcf h ALA 142 CO 0.15 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.91 1xcf h ALA 143 N 1.09 -0.31 -0.96 0.00 0.00 -1.04 -2.31 119.26 115.72 1xcf h ALA 143 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xcf h ALA 143 Cb 0.73 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1xcf h ALA 143 CO 0.06 -0.63 0.63 -0.07 0.00 0.00 0.00 179.25 179.23 1xcf h LEU 144 N -0.40 1.04 -1.69 0.00 3.38 -1.21 -0.38 115.31 116.04 1xcf h LEU 144 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xcf h LEU 144 Cb 0.31 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xcf h LEU 144 CO 0.05 0.70 -0.05 0.03 0.09 0.00 0.00 178.44 179.27 1xcf h ARG 145 N 1.20 0.00 -0.22 1.13 3.08 -1.04 -3.03 114.38 115.50 1xcf h ARG 145 Ca 0.39 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1xcf h ARG 145 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1xcf h ARG 145 CO -0.12 0.05 -0.01 0.72 -1.07 0.00 0.00 179.97 179.53 1xcf n HIS 146 N -3.21 0.78 -3.25 3.04 8.25 -0.45 -4.98 115.22 115.40 1xcf n HIS 146 Ca -0.00 -1.00 -0.24 0.00 -0.26 0.00 0.00 57.72 56.22 1xcf n HIS 146 Cb 0.28 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 31.12 1xcf n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xcf n ASN 147 N -0.77 -5.54 -4.42 0.41 3.02 -0.84 -4.61 115.26 102.52 1xcf n ASN 147 Ca 0.22 -0.39 -0.33 0.00 -0.03 0.00 0.00 54.58 54.06 1xcf n ASN 147 Cb 0.86 -4.47 -0.14 0.00 -0.61 0.00 0.00 39.78 35.43 1xcf n ASN 147 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xcf s VAL 148 N -3.16 2.88 -0.12 2.41 1.01 -0.28 -4.89 120.40 118.25 1xcf s VAL 148 Ca 0.40 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1xcf s VAL 148 Cb -0.19 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1xcf s VAL 148 CO 0.49 0.57 1.06 0.00 0.00 0.00 0.00 175.10 177.22 1xcf s ALA 149 N -0.40 3.48 -0.09 5.51 0.00 -0.37 -3.84 121.76 126.05 1xcf s ALA 149 Ca 0.04 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 1xcf s ALA 149 Cb -0.12 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1xcf s ALA 149 CO 0.02 -0.74 0.85 -1.25 0.00 0.00 0.00 175.76 174.64 1xcf s PRO 150 N 2.32 4.42 -0.13 0.00 0.04 -1.26 -1.40 135.00 138.99 1xcf s PRO 150 Ca 0.49 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 1xcf s PRO 150 Cb -0.19 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1xcf s PRO 150 CO 0.16 -0.14 0.10 0.42 0.04 0.00 0.00 177.00 177.58 1xcf s ILE 151 N 1.45 5.17 0.08 0.56 -1.09 -0.40 -2.54 121.20 124.44 1xcf s ILE 151 Ca 0.42 0.09 0.10 0.00 -2.23 0.00 0.00 60.65 59.03 1xcf s ILE 151 Cb -0.18 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1xcf s ILE 151 CO 0.18 0.58 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.86 1xcf s PHE 152 N -0.73 2.33 -0.17 3.97 0.08 -1.26 -4.50 117.98 117.70 1xcf s PHE 152 Ca 0.13 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 1xcf s PHE 152 Cb -0.12 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1xcf s PHE 152 CO 0.03 0.23 0.40 0.42 -0.10 0.00 0.00 175.22 176.20 1xcf s ILE 153 N -0.93 5.22 -0.30 0.64 1.01 -1.26 -1.85 121.20 123.72 1xcf s ILE 153 Ca 0.13 0.75 -0.07 0.00 0.00 0.00 0.00 60.65 61.47 1xcf s ILE 153 Cb -0.10 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1xcf s ILE 153 CO 0.04 0.31 0.09 0.00 0.00 0.00 0.00 174.94 175.37 1xcf s PRO 155 N 1.49 2.49 0.23 0.00 0.04 -1.26 -1.08 135.00 136.90 1xcf s PRO 155 Ca 0.02 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 1xcf s PRO 155 Cb -0.18 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.73 1xcf s PRO 155 CO 0.03 -1.45 1.84 -1.35 0.04 0.00 0.00 177.00 176.10 1xcf h PRO 156 N -0.98 0.84 -1.26 0.56 0.11 -1.90 -2.95 132.00 126.42 1xcf h PRO 156 Ca -0.44 -0.05 -0.70 0.00 0.11 0.00 0.00 66.00 64.92 1xcf h PRO 156 Cb 1.22 -0.19 -0.29 0.00 0.11 0.00 0.00 31.00 31.85 1xcf h PRO 156 CO 0.54 0.56 0.85 0.27 -0.21 0.00 0.00 178.00 180.00 1xcf n ASN 157 N -4.68 7.53 -4.71 -2.05 0.23 -1.26 -2.31 115.26 108.02 1xcf n ASN 157 Ca 0.11 -3.80 -0.42 0.00 -0.53 0.00 0.00 54.58 49.94 1xcf n ASN 157 Cb 0.17 -0.97 -0.03 0.00 -2.08 0.00 0.00 39.78 36.87 1xcf n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xcf s ALA 158 N -3.88 3.48 1.15 -2.53 0.00 -1.12 -4.89 121.76 113.97 1xcf s ALA 158 Ca 0.61 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 1xcf s ALA 158 Cb 0.49 -3.50 0.27 0.00 0.00 0.00 0.00 23.12 20.37 1xcf s ALA 158 CO -0.12 -0.59 1.14 0.16 0.00 0.00 0.00 175.76 176.35 1xcf s ASP 159 N 1.26 1.37 0.28 0.00 3.84 -1.26 -4.82 116.67 117.34 1xcf s ASP 159 Ca 0.61 0.61 -0.02 0.00 -0.00 0.00 0.00 52.55 53.74 1xcf s ASP 159 Cb -0.31 -0.85 0.39 0.00 -1.38 0.00 0.00 42.92 40.78 1xcf s ASP 159 CO 0.28 -3.84 1.85 -0.78 -0.00 0.00 0.00 175.17 172.68 1xcf h ASP 160 N -2.39 0.83 0.62 2.11 3.58 -2.00 -2.75 116.42 116.43 1xcf h ASP 160 Ca -0.45 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 56.84 1xcf h ASP 160 Cb 1.29 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.13 1xcf h ASP 160 CO 0.36 0.76 -0.30 0.44 -2.88 0.00 0.00 179.24 177.63 1xcf h ASP 161 N 0.88 -0.71 -0.76 2.28 3.45 -2.00 -2.05 116.42 117.52 1xcf h ASP 161 Ca 0.20 0.01 0.14 0.00 0.43 0.00 0.00 57.03 57.81 1xcf h ASP 161 Cb 0.21 0.18 -0.09 0.00 -0.56 0.00 0.00 39.33 39.07 1xcf h ASP 161 CO -0.01 -0.48 0.30 0.25 -1.57 0.00 0.00 179.24 177.73 1xcf h LEU 162 N -0.88 0.28 -1.01 1.55 5.85 -1.91 -0.05 115.31 119.15 1xcf h LEU 162 Ca -0.09 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xcf h LEU 162 Cb 0.66 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1xcf h LEU 162 CO 0.14 0.11 0.63 -0.07 -0.34 0.00 0.00 178.44 178.91 1xcf h LEU 163 N 0.45 1.14 -0.63 2.25 3.38 -1.35 0.24 115.31 120.78 1xcf h LEU 163 Ca 0.41 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 1xcf h LEU 163 Cb 0.63 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1xcf h LEU 163 CO -0.40 0.84 -0.25 0.03 0.09 0.00 0.00 178.44 178.74 1xcf h ARG 164 N 1.33 0.80 -0.03 1.13 3.08 -0.32 -1.17 114.38 119.21 1xcf h ARG 164 Ca 0.36 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xcf h ARG 164 Cb -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1xcf h ARG 164 CO -0.07 0.97 -0.02 0.37 -1.07 0.00 0.00 179.97 180.14 1xcf h GLN 165 N 0.69 0.06 -0.87 0.04 4.15 -0.59 -1.69 115.11 116.90 1xcf h GLN 165 Ca 0.09 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xcf h GLN 165 Cb 0.78 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 1xcf h GLN 165 CO 0.06 0.51 0.58 0.82 -1.93 0.00 0.00 178.83 178.87 1xcf h ILE 166 N -0.39 1.22 -0.13 2.39 2.04 -0.53 0.16 117.51 122.26 1xcf h ILE 166 Ca 0.00 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1xcf h ILE 166 Cb 0.50 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1xcf h ILE 166 CO 0.01 0.22 -0.24 0.00 0.00 0.00 0.00 178.15 178.13 1xcf h ALA 167 N 1.32 1.35 0.13 1.87 0.00 -1.19 -1.81 119.26 120.93 1xcf h ALA 167 Ca 0.32 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1xcf h ALA 167 Cb -0.14 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xcf h ALA 167 CO -0.07 0.45 -1.12 1.03 0.00 0.00 0.00 179.25 179.55 1xcf h SER 168 N 0.21 0.75 0.60 0.00 0.87 -0.26 -3.39 113.55 112.33 1xcf h SER 168 Ca 0.03 -0.86 -0.28 0.00 -1.23 0.00 0.00 61.79 59.46 1xcf h SER 168 Cb 0.55 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1xcf h SER 168 CO 0.04 1.54 -1.43 1.88 -0.53 0.00 0.00 176.83 178.32 1xcf h TYR 169 N 0.07 0.25 -4.34 2.24 0.05 -0.72 -3.48 116.97 111.04 1xcf h TYR 169 Ca -0.18 -0.18 -0.51 0.00 0.05 0.00 0.00 58.73 57.92 1xcf h TYR 169 Cb 1.83 -0.01 0.09 0.00 1.01 0.00 0.00 36.73 39.65 1xcf h TYR 169 CO 0.14 1.21 0.37 0.20 -1.05 0.00 0.00 178.16 179.03 1xcf s GLY 170 N -4.93 1.66 0.13 3.88 0.00 -0.68 -4.79 107.32 102.59 1xcf s GLY 170 Ca -0.06 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 1xcf s GLY 170 CO 0.84 0.33 0.26 0.50 0.00 0.00 0.00 173.10 175.03 1xcf s ARG 171 N -5.08 1.03 0.00 2.90 1.81 -1.05 -4.62 118.95 113.93 1xcf s ARG 171 Ca 0.58 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1xcf s ARG 171 Cb -0.14 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 1xcf s ARG 171 CO 0.55 -0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 1xcf n GLY 172 N -0.16 2.27 3.63 -3.53 0.00 -1.26 -4.45 105.19 101.68 1xcf n GLY 172 Ca -0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1xcf n GLY 172 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xcf s PHE 173 N 0.00 -0.33 -0.18 1.61 -0.71 -1.26 -4.24 117.98 112.87 1xcf s PHE 173 Ca 0.00 -0.00 -0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1xcf s PHE 173 Cb 0.00 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.39 1xcf s PHE 173 CO 0.00 -1.03 -0.03 0.99 -1.34 0.00 0.00 175.22 173.81 1xcf s THR 174 N -3.84 3.82 -0.35 -4.49 2.01 -0.09 -4.57 115.64 108.13 1xcf s THR 174 Ca 0.06 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 1xcf s THR 174 Cb -0.03 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1xcf s THR 174 CO -0.03 0.46 0.76 -0.47 -0.69 0.00 0.00 174.62 174.66 1xcf s TYR 175 N 0.74 3.14 -0.25 4.92 6.14 -0.77 -1.02 117.35 130.25 1xcf s TYR 175 Ca -0.01 0.60 -0.22 0.00 0.64 0.00 0.00 57.07 58.08 1xcf s TYR 175 Cb -0.14 -3.31 -0.01 0.00 0.42 0.00 0.00 41.96 38.91 1xcf s TYR 175 CO 0.02 -0.67 0.72 -0.51 0.64 0.00 0.00 175.55 175.75 1xcf s LEU 176 N 3.01 4.07 0.52 6.97 1.02 -0.32 0.39 118.68 134.34 1xcf s LEU 176 Ca 0.31 0.86 -0.23 0.00 0.02 0.00 0.00 54.13 55.08 1xcf s LEU 176 Cb -0.14 -3.00 -0.06 0.00 0.02 0.00 0.00 46.19 43.02 1xcf s LEU 176 CO 0.15 -0.43 1.38 -0.22 0.02 0.00 0.00 176.35 177.26 1xcf s LEU 177 N 2.62 3.93 0.42 1.79 2.96 -0.24 -0.26 118.68 129.91 1xcf s LEU 177 Ca 0.30 2.82 -0.26 0.00 -0.22 0.00 0.00 54.13 56.77 1xcf s LEU 177 Cb -0.15 -4.17 -0.10 0.00 0.50 0.00 0.00 46.19 42.27 1xcf s LEU 177 CO 0.08 -1.45 1.44 -0.24 -1.32 0.00 0.00 176.35 174.86 1xcf n SER 178 N -0.77 3.45 0.00 3.68 2.88 -1.24 -4.65 113.62 116.96 1xcf n SER 178 Ca 0.09 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1xcf n SER 178 Cb 0.44 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1xcf n SER 178 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xcf n ARG 179 N 0.07 0.00 -3.79 -1.46 3.00 -1.26 -4.90 116.66 108.32 1xcf n ARG 179 Ca 0.04 0.41 -0.27 0.00 -0.01 0.00 0.00 57.85 58.01 1xcf n ARG 179 Cb 0.40 -1.26 -0.17 0.00 0.00 0.00 0.00 32.46 31.43 1xcf n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xcf s ALA 180 N -2.81 1.11 0.25 7.54 0.00 -1.26 -5.00 121.76 121.59 1xcf s ALA 180 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1xcf s ALA 180 Cb 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.94 1xcf s ALA 180 CO 0.00 -0.93 1.15 0.00 0.00 0.00 0.00 175.76 175.98 1xcf s ALA 189 N 1.80 3.42 0.19 0.00 0.00 -1.26 -5.16 121.76 120.76 1xcf s ALA 189 Ca 0.00 0.95 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 1xcf s ALA 189 Cb -0.16 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1xcf s ALA 189 CO -0.07 -0.28 1.64 0.00 0.00 0.00 0.00 175.76 177.05 1xcf s ALA 190 N -0.79 3.86 0.20 0.00 0.00 -1.26 -4.56 121.76 119.21 1xcf s ALA 190 Ca 0.48 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.68 1xcf s ALA 190 Cb -0.33 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.05 1xcf s ALA 190 CO 0.41 -0.86 0.79 -0.51 0.00 0.00 0.00 175.76 175.60 1xcf s LEU 191 N 1.11 4.51 0.33 0.00 1.43 -0.98 -4.93 118.68 120.15 1xcf s LEU 191 Ca 0.72 1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 1xcf s LEU 191 Cb -0.47 -3.46 -0.11 0.00 0.03 0.00 0.00 46.19 42.18 1xcf s LEU 191 CO 0.32 0.13 1.54 -2.16 0.23 0.00 0.00 176.35 176.41 1xcf s PRO 192 N -1.45 4.12 0.26 1.29 0.04 -1.26 -4.72 135.00 133.28 1xcf s PRO 192 Ca 0.39 2.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.98 1xcf s PRO 192 Cb -0.21 -3.00 0.56 0.00 0.04 0.00 0.00 34.50 31.89 1xcf s PRO 192 CO 0.25 -0.57 1.33 -0.11 0.04 0.00 0.00 177.00 177.94 1xcf n LEU 193 N 1.35 -0.17 -0.12 -3.56 0.00 -1.26 -0.33 117.00 112.91 1xcf n LEU 193 Ca 0.05 1.46 -0.04 0.00 0.00 0.00 0.00 56.01 57.47 1xcf n LEU 193 Cb 0.38 -0.50 0.03 0.00 0.00 0.00 0.00 43.42 43.33 1xcf n LEU 193 CO 0.64 -1.45 0.83 0.78 0.00 0.00 0.00 177.39 178.19 1xcf h ASN 194 N 0.00 -0.22 0.73 1.96 2.35 -1.90 -0.71 115.58 117.80 1xcf h ASN 194 Ca 0.48 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.30 1xcf h ASN 194 Cb 0.91 0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.48 1xcf h ASN 194 CO -0.83 -0.07 -0.35 -0.74 -1.65 0.00 0.00 177.43 173.79 1xcf h HIS 195 N 0.08 -0.91 -0.69 1.19 2.76 -1.01 0.19 115.15 116.75 1xcf h HIS 195 Ca 0.20 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.48 1xcf h HIS 195 Cb 0.29 0.30 -0.09 0.00 1.55 0.00 0.00 27.41 29.46 1xcf h HIS 195 CO -0.29 -0.56 0.21 1.25 -1.30 0.00 0.00 177.93 177.24 1xcf h LEU 196 N -1.01 0.12 -0.15 0.26 5.85 -1.29 0.18 115.31 119.28 1xcf h LEU 196 Ca -0.10 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xcf h LEU 196 Cb 0.76 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1xcf h LEU 196 CO 0.17 0.04 -0.02 0.58 -0.34 0.00 0.00 178.44 178.87 1xcf h VAL 197 N 0.34 1.27 -0.67 1.05 2.07 -1.05 -1.82 116.25 117.43 1xcf h VAL 197 Ca 0.38 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 67.10 1xcf h VAL 197 Cb 0.58 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.84 1xcf h VAL 197 CO -0.42 0.27 0.25 0.00 0.02 0.00 0.00 177.57 177.69 1xcf h ALA 198 N 0.74 0.89 -0.14 1.67 0.00 0.66 -0.80 119.26 122.29 1xcf h ALA 198 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xcf h ALA 198 Cb 0.42 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xcf h ALA 198 CO 0.01 -0.20 -0.01 0.87 0.00 0.00 0.00 179.25 179.92 1xcf h LYS 199 N 0.42 0.25 -1.00 0.00 1.57 -0.62 -2.16 116.57 115.04 1xcf h LYS 199 Ca 0.35 -0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1xcf h LYS 199 Cb 0.48 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.70 1xcf h LYS 199 CO -0.35 0.50 0.64 -0.07 -0.57 0.00 0.00 179.45 179.59 1xcf h LEU 200 N -0.02 0.97 -1.08 2.94 3.38 -0.75 0.18 115.31 120.92 1xcf h LEU 200 Ca 0.04 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1xcf h LEU 200 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xcf h LEU 200 CO 0.01 0.56 -0.40 0.11 0.09 0.00 0.00 178.44 178.81 1xcf h LYS 201 N 1.06 0.11 0.00 1.13 1.57 -1.08 -1.25 116.57 118.12 1xcf h LYS 201 Ca 0.47 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1xcf h LYS 201 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xcf h LYS 201 CO -0.22 0.50 -0.28 1.49 -0.57 0.00 0.00 179.45 180.37 1xcf h GLU 202 N 0.10 0.00 -0.45 3.15 4.81 -0.03 -2.95 114.58 119.21 1xcf h GLU 202 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xcf h GLU 202 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1xcf h GLU 202 CO 0.06 0.28 0.00 0.66 -0.73 0.00 0.00 179.01 179.28 1xcf n TYR 203 N -3.57 1.51 -2.10 0.92 4.01 -0.46 -4.96 117.16 112.51 1xcf n TYR 203 Ca -0.01 -0.77 -0.19 0.00 -0.16 0.00 0.00 57.90 56.78 1xcf n TYR 203 Cb 0.42 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 1xcf n TYR 203 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xcf n ASN 204 N 0.23 -5.44 -4.76 7.72 3.02 -1.10 -4.65 115.26 110.27 1xcf n ASN 204 Ca 0.24 0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 54.61 1xcf n ASN 204 Cb 1.02 -4.53 0.07 0.00 -0.61 0.00 0.00 39.78 35.72 1xcf n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xcf s ALA 205 N -2.88 2.32 0.69 5.41 0.00 -0.52 -4.90 121.76 121.89 1xcf s ALA 205 Ca 0.00 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1xcf s ALA 205 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1xcf s ALA 205 CO 0.00 -1.53 1.24 0.00 0.00 0.00 0.00 175.76 175.47 1xcf s ALA 206 N -2.35 2.24 -0.29 0.00 0.00 -1.26 -4.82 121.76 115.27 1xcf s ALA 206 Ca 0.68 1.02 -0.43 0.00 0.00 0.00 0.00 51.96 53.23 1xcf s ALA 206 Cb -0.22 -3.50 -0.19 0.00 0.00 0.00 0.00 23.12 19.21 1xcf s ALA 206 CO 0.45 -1.73 1.51 -2.30 0.00 0.00 0.00 175.76 173.69 1xcf n PRO 207 N -2.33 0.42 -2.60 0.00 -0.02 -1.26 -3.39 135.00 125.82 1xcf n PRO 207 Ca 0.14 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1xcf n PRO 207 Cb 0.49 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1xcf n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xcf s PRO 208 N 2.32 4.56 -0.16 0.52 0.04 -1.26 -0.91 135.00 140.11 1xcf s PRO 208 Ca 0.99 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1xcf s PRO 208 Cb -1.29 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 29.88 1xcf s PRO 208 CO 0.69 -0.03 -0.18 -0.51 0.04 0.00 0.00 177.00 177.01 1xcf s LEU 209 N 0.55 2.29 -0.03 -3.56 1.43 -0.19 -0.10 118.68 119.06 1xcf s LEU 209 Ca 0.52 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 1xcf s LEU 209 Cb -0.25 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1xcf s LEU 209 CO 0.30 0.05 1.18 -1.58 0.23 0.00 0.00 176.35 176.53 1xcf s GLN 210 N 0.98 4.39 0.29 1.70 2.00 -0.48 -1.18 119.66 127.35 1xcf s GLN 210 Ca -0.03 1.66 -0.10 0.00 -2.00 0.00 0.00 55.36 54.89 1xcf s GLN 210 Cb -0.15 -3.51 -0.07 0.00 0.80 0.00 0.00 33.01 30.08 1xcf s GLN 210 CO -0.04 -0.38 0.62 0.20 -0.50 0.00 0.00 175.29 175.19 1xcf s GLY 211 N 1.34 2.17 0.00 2.59 0.00 0.65 -1.23 107.32 112.84 1xcf s GLY 211 Ca 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1xcf s GLY 211 CO 0.24 -0.09 0.00 0.69 0.00 0.00 0.00 173.10 173.93 1xcf n PHE 212 N -0.50 0.00 0.00 1.90 3.01 0.07 -3.69 117.46 118.25 1xcf n PHE 212 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xcf n PHE 212 Cb 0.53 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 1xcf n PHE 212 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcf n GLY 213 N 2.11 2.22 3.24 1.37 0.00 -1.26 -4.80 105.19 108.07 1xcf n GLY 213 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1xcf n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xcf s ILE 214 N 0.00 -0.03 0.15 -0.61 1.01 -1.25 -1.27 121.20 119.19 1xcf s ILE 214 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1xcf s ILE 214 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1xcf s ILE 214 CO 0.00 0.04 0.30 -0.94 0.00 0.00 0.00 174.94 174.35 1xcf s SER 215 N 1.37 -0.01 0.24 3.58 1.04 -1.26 -4.95 113.70 113.71 1xcf s SER 215 Ca -0.09 -0.71 0.09 0.00 0.48 0.00 0.00 55.95 55.71 1xcf s SER 215 Cb -0.09 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1xcf s SER 215 CO -0.12 -0.87 0.03 0.00 0.98 0.00 0.00 173.24 173.26 1xcf s ALA 216 N -3.91 3.25 0.27 5.32 0.00 -1.26 -5.03 121.76 120.39 1xcf s ALA 216 Ca 0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 1xcf s ALA 216 Cb 0.03 -0.92 0.55 0.00 0.00 0.00 0.00 23.12 22.77 1xcf s ALA 216 CO -0.04 0.32 1.78 -1.35 0.00 0.00 0.00 175.76 176.46 1xcf h PRO 217 N 2.01 0.68 -0.03 0.00 0.11 -1.93 -0.94 132.00 131.90 1xcf h PRO 217 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1xcf h PRO 217 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xcf h PRO 217 CO 0.60 0.45 -0.13 0.38 -0.21 0.00 0.00 178.00 179.09 1xcf h ASP 218 N 0.70 0.05 0.09 -2.05 3.04 -1.96 -0.70 116.42 115.59 1xcf h ASP 218 Ca 0.47 -0.01 -0.19 0.00 -3.24 0.00 0.00 57.03 54.07 1xcf h ASP 218 Cb 0.63 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1xcf h ASP 218 CO -0.34 0.18 -0.70 1.56 -2.04 0.00 0.00 179.24 177.91 1xcf h GLN 219 N 0.05 0.55 -0.15 4.15 4.20 -1.58 -1.81 115.11 120.52 1xcf h GLN 219 Ca 0.01 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1xcf h GLN 219 Cb 0.26 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1xcf h GLN 219 CO 0.02 1.05 -0.03 0.28 -0.67 0.00 0.00 178.83 179.47 1xcf h VAL 220 N 0.39 1.29 -0.75 -0.54 2.07 -1.05 -2.18 116.25 115.47 1xcf h VAL 220 Ca -0.03 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1xcf h VAL 220 Cb 1.28 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 1xcf h VAL 220 CO 0.13 0.29 0.44 0.50 0.02 0.00 0.00 177.57 178.94 1xcf h LYS 221 N -0.02 0.77 -0.52 1.57 3.64 -1.13 -1.89 116.57 118.99 1xcf h LYS 221 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1xcf h LYS 221 Cb 0.46 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1xcf h LYS 221 CO 0.01 0.51 0.17 0.00 -2.27 0.00 0.00 179.45 177.88 1xcf h ALA 222 N 1.38 1.32 -0.39 5.00 0.00 -1.19 0.15 119.26 125.52 1xcf h ALA 222 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1xcf h ALA 222 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xcf h ALA 222 CO -0.19 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 1xcf h ALA 223 N 1.44 0.54 -0.25 0.00 0.00 -0.72 -2.18 119.26 118.09 1xcf h ALA 223 Ca 0.18 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1xcf h ALA 223 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xcf h ALA 223 CO -0.01 0.41 -0.47 0.82 0.00 0.00 0.00 179.25 180.00 1xcf h ILE 224 N 0.57 1.30 0.00 0.00 2.04 -1.08 -1.55 117.51 118.79 1xcf h ILE 224 Ca 0.10 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 1xcf h ILE 224 Cb 0.61 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1xcf h ILE 224 CO 0.04 0.53 -0.20 0.44 0.00 0.00 0.00 178.15 178.96 1xcf h ASP 225 N 0.51 0.00 -0.04 1.72 3.32 -0.87 -0.06 116.42 121.00 1xcf h ASP 225 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xcf h ASP 225 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1xcf h ASP 225 CO 0.09 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 1xcf n ALA 226 N -2.37 2.61 0.00 3.45 0.00 -0.83 -4.90 120.51 118.47 1xcf n ALA 226 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1xcf n ALA 226 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1xcf n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcf n GLY 227 N 0.96 0.56 3.76 0.00 0.00 -0.04 -4.12 105.19 106.31 1xcf n GLY 227 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1xcf n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xcf s ALA 228 N -2.00 2.71 -0.90 4.61 0.00 -0.61 -4.89 121.76 120.68 1xcf s ALA 228 Ca 0.00 1.01 0.23 0.00 0.00 0.00 0.00 51.96 53.20 1xcf s ALA 228 Cb 0.00 -3.44 0.92 0.00 0.00 0.00 0.00 23.12 20.61 1xcf s ALA 228 CO 0.00 -1.01 1.71 0.00 0.00 0.00 0.00 175.76 176.46 1xcf n ALA 229 N -1.19 2.00 0.00 0.00 0.00 0.85 -4.46 120.51 117.71 1xcf n ALA 229 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xcf n ALA 229 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1xcf n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcf n GLY 230 N 0.73 -1.01 2.97 0.00 0.00 -1.23 -1.51 105.19 105.16 1xcf n GLY 230 Ca 0.05 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1xcf n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xcf s ALA 231 N -1.00 0.20 -0.16 4.61 0.00 0.00 -1.38 121.76 124.03 1xcf s ALA 231 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1xcf s ALA 231 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1xcf s ALA 231 CO 0.00 -0.09 -0.18 0.42 0.00 0.00 0.00 175.76 175.91 1xcf s ILE 232 N -1.10 2.37 -0.01 0.00 1.01 -0.37 -0.44 121.20 122.66 1xcf s ILE 232 Ca -0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1xcf s ILE 232 Cb -0.08 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1xcf s ILE 232 CO -0.01 0.53 0.04 -0.55 0.00 0.00 0.00 174.94 174.95 1xcf s SER 233 N 0.98 -0.03 0.86 3.58 0.15 -0.76 -0.75 113.70 117.73 1xcf s SER 233 Ca -0.03 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.62 1xcf s SER 233 Cb -0.15 0.06 0.15 0.00 -1.71 0.00 0.00 66.02 64.38 1xcf s SER 233 CO -0.04 -0.02 0.97 0.61 1.20 0.00 0.00 173.24 175.95 1xcf n GLY 234 N 3.17 -0.56 3.64 9.45 0.00 -0.40 -1.20 105.19 119.30 1xcf n GLY 234 Ca -0.14 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 1xcf n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xcf s SER 235 N -4.67 -0.58 0.11 1.61 1.04 -1.13 -3.91 113.70 106.18 1xcf s SER 235 Ca 0.58 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 58.00 1xcf s SER 235 Cb -0.02 1.11 -0.13 0.00 0.10 0.00 0.00 66.02 67.08 1xcf s SER 235 CO 0.40 -0.18 1.28 0.00 0.98 0.00 0.00 173.24 175.71 1xcf h ALA 236 N 4.80 0.30 -0.37 5.32 0.00 -1.99 -3.28 119.26 124.04 1xcf h ALA 236 Ca -0.29 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 1xcf h ALA 236 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1xcf h ALA 236 CO 0.10 0.76 0.15 0.82 0.00 0.00 0.00 179.25 181.08 1xcf h ILE 237 N 0.32 1.19 -0.98 0.00 1.08 -1.99 -1.91 117.51 115.22 1xcf h ILE 237 Ca -0.09 -0.56 0.06 0.00 -0.39 0.00 0.00 64.86 63.87 1xcf h ILE 237 Cb 1.58 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 36.14 1xcf h ILE 237 CO 0.17 0.20 0.63 0.58 -0.69 0.00 0.00 178.15 179.05 1xcf h VAL 238 N 0.45 1.10 -0.62 1.67 2.07 -1.98 0.51 116.25 119.45 1xcf h VAL 238 Ca 0.12 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1xcf h VAL 238 Cb 0.17 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1xcf h VAL 238 CO -0.01 0.21 0.09 0.11 0.02 0.00 0.00 177.57 177.99 1xcf h LYS 239 N 1.16 1.01 -0.34 1.57 1.79 -1.56 0.16 116.57 120.37 1xcf h LYS 239 Ca 0.41 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.57 1xcf h LYS 239 Cb 0.13 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1xcf h LYS 239 CO -0.16 0.94 0.01 0.82 -1.08 0.00 0.00 179.45 179.98 1xcf h ILE 240 N 0.95 1.25 -0.50 1.86 2.04 -0.45 -2.57 117.51 120.09 1xcf h ILE 240 Ca 0.19 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1xcf h ILE 240 Cb 0.43 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1xcf h ILE 240 CO 0.01 0.31 0.11 0.40 0.00 0.00 0.00 178.15 178.98 1xcf h ILE 241 N 0.41 1.24 -0.97 -0.67 2.04 -0.71 -2.48 117.51 116.37 1xcf h ILE 241 Ca 0.10 -0.87 0.20 0.00 1.00 0.00 0.00 64.86 65.28 1xcf h ILE 241 Cb 0.43 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.26 1xcf h ILE 241 CO 0.02 0.31 0.56 -0.08 0.00 0.00 0.00 178.15 178.96 1xcf h GLU 242 N 0.69 0.66 -6.53 2.37 4.81 -0.55 -2.73 114.58 113.30 1xcf h GLU 242 Ca 0.15 -0.04 -0.45 0.00 -0.13 0.00 0.00 59.36 58.90 1xcf h GLU 242 Cb 0.35 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.60 1xcf h GLU 242 CO 0.00 0.43 -0.21 1.14 -0.73 0.00 0.00 179.01 179.65 1xcf s GLN 243 N -5.86 3.07 0.00 1.92 -2.07 -0.93 -4.45 119.66 111.33 1xcf s GLN 243 Ca -0.11 -0.75 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1xcf s GLN 243 Cb 0.25 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 29.49 1xcf s GLN 243 CO 0.80 -0.13 0.00 0.72 -1.32 0.00 0.00 175.29 175.35 1xcf n HIS 244 N -1.88 0.00 -4.08 9.60 8.25 -1.26 -4.77 115.22 121.08 1xcf n HIS 244 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 1xcf n HIS 244 Cb 0.58 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.53 1xcf n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xcf s ILE 245 N 0.00 2.06 -0.35 1.59 1.01 -1.03 -4.96 121.20 119.52 1xcf s ILE 245 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 60.65 59.54 1xcf s ILE 245 Cb 0.00 -2.03 -0.20 0.00 0.01 0.00 0.00 42.46 40.23 1xcf s ILE 245 CO 0.00 0.24 0.48 0.59 0.00 0.00 0.00 174.94 176.25 1xcf n ASN 246 N 4.54 1.10 -4.65 3.58 3.02 -1.26 -4.76 115.26 116.83 1xcf n ASN 246 Ca -0.17 -0.41 -0.43 0.00 -0.03 0.00 0.00 54.58 53.55 1xcf n ASN 246 Cb 0.46 1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 40.98 1xcf n ASN 246 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xcf s GLU 247 N -2.77 4.18 0.26 3.52 8.01 -1.26 -4.95 118.70 125.70 1xcf s GLU 247 Ca -0.00 1.16 -0.02 0.00 0.01 0.00 0.00 54.97 56.12 1xcf s GLU 247 Cb 0.11 -3.67 0.55 0.00 -4.31 0.00 0.00 34.13 26.81 1xcf s GLU 247 CO 0.63 -0.66 1.72 -1.35 0.01 0.00 0.00 175.26 175.61 1xcf h PRO 248 N 7.67 0.42 -0.41 0.39 0.11 -1.99 0.13 132.00 138.32 1xcf h PRO 248 Ca -0.21 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 1xcf h PRO 248 Cb 1.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1xcf h PRO 248 CO 0.96 0.28 -0.01 0.93 -0.21 0.00 0.00 178.00 179.95 1xcf h GLU 249 N 0.43 0.74 -0.31 1.05 5.08 -2.00 -1.44 114.58 118.13 1xcf h GLU 249 Ca 0.46 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1xcf h GLU 249 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1xcf h GLU 249 CO -0.45 0.82 -0.36 0.87 -1.00 0.00 0.00 179.01 178.89 1xcf h LYS 250 N 0.57 0.71 -0.20 2.33 1.57 -1.79 -2.32 116.57 117.43 1xcf h LYS 250 Ca 0.12 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1xcf h LYS 250 Cb 0.50 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1xcf h LYS 250 CO 0.02 0.96 0.08 1.98 -0.57 0.00 0.00 179.45 181.93 1xcf h MET 251 N 0.59 0.30 -0.60 3.15 4.05 -0.67 -1.00 114.93 120.75 1xcf h MET 251 Ca 0.06 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1xcf h MET 251 Cb 0.89 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1xcf h MET 251 CO 0.08 0.37 0.38 1.25 0.23 0.00 0.00 176.91 179.21 1xcf h LEU 252 N 0.17 0.71 -0.36 3.39 6.46 -1.20 0.37 115.31 124.86 1xcf h LEU 252 Ca 0.07 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1xcf h LEU 252 Cb 0.18 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1xcf h LEU 252 CO -0.01 0.54 0.15 0.00 -0.62 0.00 0.00 178.44 178.51 1xcf h ALA 253 N 1.20 0.46 -0.39 1.25 0.00 -1.31 -1.34 119.26 119.14 1xcf h ALA 253 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xcf h ALA 253 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xcf h ALA 253 CO -0.04 0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.44 1xcf h ALA 254 N 1.00 0.50 -0.26 0.00 0.00 -0.80 -3.11 119.26 116.60 1xcf h ALA 254 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1xcf h ALA 254 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xcf h ALA 254 CO -0.01 0.07 -0.43 -0.07 0.00 0.00 0.00 179.25 178.81 1xcf h LEU 255 N 0.49 0.68 -1.25 0.00 3.38 -0.85 -3.11 115.31 114.65 1xcf h LEU 255 Ca 0.13 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1xcf h LEU 255 Cb 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1xcf h LEU 255 CO -0.02 1.02 0.54 0.11 0.09 0.00 0.00 178.44 180.18 1xcf h LYS 256 N 0.51 0.88 -0.54 1.13 1.57 -1.20 0.28 116.57 119.19 1xcf h LYS 256 Ca 0.04 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1xcf h LYS 256 Cb 0.96 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1xcf h LYS 256 CO 0.09 0.58 0.36 0.28 -0.57 0.00 0.00 179.45 180.19 1xcf h VAL 257 N 0.90 0.96 0.02 0.50 2.07 -1.47 -1.75 116.25 117.48 1xcf h VAL 257 Ca 0.35 -0.16 -0.38 0.00 0.82 0.00 0.00 66.70 67.34 1xcf h VAL 257 Cb 0.22 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1xcf h VAL 257 CO -0.13 0.08 -2.36 0.49 0.02 0.00 0.00 177.57 175.68 1xcf n PHE 258 N -4.47 0.25 -0.04 1.57 3.01 -0.46 -4.53 117.46 112.79 1xcf n PHE 258 Ca 0.08 0.06 -0.16 0.00 1.01 0.00 0.00 57.45 58.44 1xcf n PHE 258 Cb 0.27 -1.03 -0.08 0.00 -0.01 0.00 0.00 39.48 38.63 1xcf n PHE 258 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xcf h VAL 259 N 0.01 1.35 -0.80 -4.37 2.07 -0.48 -3.28 116.25 110.76 1xcf h VAL 259 Ca -0.54 -1.77 0.10 0.00 0.82 0.00 0.00 66.70 65.31 1xcf h VAL 259 Cb 1.98 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.78 1xcf h VAL 259 CO -0.03 0.54 0.44 1.56 0.02 0.00 0.00 177.57 180.09 1xcf h GLN 260 N 0.18 0.71 0.00 1.57 4.20 -1.51 -0.76 115.11 119.49 1xcf h GLN 260 Ca -0.02 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1xcf h GLN 260 Cb 1.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1xcf h GLN 260 CO 0.10 0.47 -0.46 -1.00 -0.67 0.00 0.00 178.83 177.27 1xcf h PRO 261 N 0.73 0.00 -0.25 1.46 0.13 -1.78 -0.04 132.00 132.25 1xcf h PRO 261 Ca 0.39 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.45 1xcf h PRO 261 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1xcf h PRO 261 CO -0.26 0.46 -0.12 0.52 -0.23 0.00 0.00 178.00 178.37 1xcf h MET 262 N 0.00 0.52 -0.02 0.86 2.86 -1.34 -2.33 114.93 115.49 1xcf h MET 262 Ca -0.00 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 1xcf h MET 262 Cb 0.85 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1xcf h MET 262 CO 0.06 0.78 -0.50 -0.22 1.06 0.00 0.00 176.91 178.09 1xcf h LYS 263 N 0.25 0.05 0.00 1.72 1.63 -1.03 -2.59 116.57 116.59 1xcf h LYS 263 Ca 0.06 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1xcf h LYS 263 Cb 0.62 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1xcf h LYS 263 CO 0.04 0.53 -0.16 0.00 -3.45 0.00 0.00 179.45 176.41 1xcf h ALA 264 N 1.46 1.07 0.00 5.00 0.00 -0.85 -2.17 119.26 123.77 1xcf h ALA 264 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xcf h ALA 264 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xcf h ALA 264 CO 0.07 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1xcf n ALA 265 N -2.21 2.18 0.95 0.00 0.00 -0.89 -3.11 120.51 117.44 1xcf n ALA 265 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1xcf n ALA 265 Cb 0.36 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.47 1xcf n ALA 265 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xcf n THR 266 N -1.73 0.02 1.68 0.00 -2.24 -0.82 -4.01 114.28 107.18 1xcf n THR 266 Ca 0.06 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.96 1xcf n THR 266 Cb 0.33 0.51 0.68 0.00 -2.10 0.00 0.00 70.33 69.75 1xcf n THR 266 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04