#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 1.90 0.28 0.03 1.03 -1.26 -4.95 118.70 115.74 1xcf s GLU 2 Ca 0.00 -2.89 0.02 0.00 0.03 0.00 0.00 54.97 52.13 1xcf s GLU 2 Cb 0.00 -2.72 0.42 0.00 -0.80 0.00 0.00 34.13 31.04 1xcf s GLU 2 CO 0.00 -1.32 1.73 0.00 -1.33 0.00 0.00 175.26 174.35 1xcf h ARG 3 N 5.52 0.49 -0.32 -4.83 3.08 -1.96 -2.38 114.38 113.98 1xcf h ARG 3 Ca 0.18 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1xcf h ARG 3 Cb 0.81 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1xcf h ARG 3 CO 0.59 0.69 -0.31 1.88 -1.07 0.00 0.00 179.97 181.75 1xcf h TYR 4 N 0.44 0.93 -0.24 3.04 0.05 -1.92 -0.75 116.97 118.52 1xcf h TYR 4 Ca 0.07 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.59 1xcf h TYR 4 Cb 0.64 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1xcf h TYR 4 CO 0.02 1.05 0.09 0.93 -1.05 0.00 0.00 178.16 179.20 1xcf h GLU 5 N 0.54 0.20 -0.42 4.88 3.07 -1.85 -0.70 114.58 120.30 1xcf h GLU 5 Ca 0.05 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 1xcf h GLU 5 Cb 0.89 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1xcf h GLU 5 CO 0.08 0.13 -0.25 0.66 -1.40 0.00 0.00 179.01 178.23 1xcf h SER 6 N 0.21 0.91 -0.16 1.42 4.64 -1.38 -2.38 113.55 116.80 1xcf h SER 6 Ca 0.10 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1xcf h SER 6 Cb 0.06 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1xcf h SER 6 CO -0.10 1.11 0.08 0.25 -0.87 0.00 0.00 176.83 177.30 1xcf h LEU 7 N 0.76 0.21 -1.43 5.97 5.85 -0.80 -1.53 115.31 124.34 1xcf h LEU 7 Ca 0.09 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1xcf h LEU 7 Cb 0.80 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1xcf h LEU 7 CO 0.07 0.28 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.05 1xcf h PHE 8 N 0.13 0.21 -0.30 1.25 0.04 -1.14 -0.36 116.94 116.77 1xcf h PHE 8 Ca 0.06 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 1xcf h PHE 8 Cb 0.13 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1xcf h PHE 8 CO -0.02 0.34 -0.51 0.00 -0.60 0.00 0.00 178.31 177.51 1xcf h ALA 9 N 1.67 0.52 -0.13 2.45 0.00 -1.18 -2.01 119.26 120.58 1xcf h ALA 9 Ca 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1xcf h ALA 9 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xcf h ALA 9 CO 0.02 0.68 -0.49 1.96 0.00 0.00 0.00 179.25 181.42 1xcf h GLN 10 N 0.66 0.33 -0.30 0.00 4.20 -0.87 -2.71 115.11 116.43 1xcf h GLN 10 Ca 0.02 -0.19 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 1xcf h GLN 10 Cb 1.11 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1xcf h GLN 10 CO 0.11 0.75 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.48 1xcf h LEU 11 N 0.26 0.87 -0.32 1.46 3.38 -0.97 -3.16 115.31 116.84 1xcf h LEU 11 Ca 0.01 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1xcf h LEU 11 Cb 0.96 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1xcf h LEU 11 CO 0.08 1.20 0.08 0.11 0.09 0.00 0.00 178.44 180.00 1xcf h LYS 12 N 0.63 0.51 0.00 1.13 1.57 -1.30 0.14 116.57 119.25 1xcf h LYS 12 Ca 0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xcf h LYS 12 Cb 1.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1xcf h LYS 12 CO 0.10 0.57 0.15 0.93 -0.57 0.00 0.00 179.45 180.63 1xcf h GLU 13 N 0.35 0.00 -0.12 3.15 5.08 -1.48 0.42 114.58 121.98 1xcf h GLU 13 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xcf h GLU 13 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 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 -2.37 1.58 -3.57 2.33 1.74 -0.63 -4.98 116.66 110.75 1xcf n ARG 14 Ca -0.02 -1.42 -0.27 0.00 -0.77 0.00 0.00 57.85 55.38 1xcf n ARG 14 Cb 0.18 -1.15 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.24 -4.84 -4.26 5.56 4.01 0.15 -4.97 118.16 114.05 1xcf n LYS 15 Ca 0.06 0.63 -0.27 0.00 -0.51 0.00 0.00 58.31 58.21 1xcf n LYS 15 Cb 0.27 -5.46 -0.09 0.00 -0.51 0.00 0.00 35.03 29.24 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 -6.26 2.18 0.41 1.97 2.02 0.35 -4.77 118.70 114.59 1xcf s GLU 16 Ca 0.52 -1.19 0.08 0.00 0.02 0.00 0.00 54.97 54.39 1xcf s GLU 16 Cb -0.26 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1xcf s GLU 16 CO 0.64 0.45 0.56 0.20 0.02 0.00 0.00 175.26 177.13 1xcf s GLY 17 N -2.80 1.89 -0.09 -1.39 0.00 0.10 -4.36 107.32 100.68 1xcf s GLY 17 Ca 0.25 -1.63 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1xcf s GLY 17 CO 0.16 -1.46 0.12 0.00 0.00 0.00 0.00 173.10 171.92 1xcf s ALA 18 N -2.33 3.78 -0.22 3.20 0.00 -0.40 -4.82 121.76 120.98 1xcf s ALA 18 Ca 0.53 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1xcf s ALA 18 Cb -0.10 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1xcf s ALA 18 CO 0.33 0.64 -0.06 0.12 0.00 0.00 0.00 175.76 176.80 1xcf s PHE 19 N -1.07 2.97 -0.29 0.00 5.36 -1.26 -0.99 117.98 122.69 1xcf s PHE 19 Ca 0.18 -1.12 0.02 0.00 -0.96 0.00 0.00 56.93 55.05 1xcf s PHE 19 Cb -0.12 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.55 1xcf s PHE 19 CO 0.07 -0.61 -0.01 0.08 -1.46 0.00 0.00 175.22 173.29 1xcf s VAL 20 N 1.44 1.90 0.44 3.12 1.01 0.10 -1.69 120.40 126.72 1xcf s VAL 20 Ca 0.05 -1.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.03 1xcf s VAL 20 Cb -0.15 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1xcf s VAL 20 CO -0.04 -0.33 1.04 -2.16 0.00 0.00 0.00 175.10 173.60 1xcf s PRO 21 N 1.16 3.98 -0.20 2.72 0.04 -1.25 -1.83 135.00 139.61 1xcf s PRO 21 Ca 0.01 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 1xcf s PRO 21 Cb -0.19 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1xcf s PRO 21 CO -0.09 -0.28 -0.05 0.12 0.04 0.00 0.00 177.00 176.74 1xcf s PHE 22 N -1.84 2.95 -0.05 0.56 2.19 -0.38 -1.98 117.98 119.43 1xcf s PHE 22 Ca 0.63 -0.80 0.03 0.00 0.33 0.00 0.00 56.93 57.11 1xcf s PHE 22 Cb -0.19 -2.06 0.01 0.00 -1.31 0.00 0.00 43.02 39.47 1xcf s PHE 22 CO 0.23 -0.44 -0.12 0.14 1.83 0.00 0.00 175.22 176.86 1xcf s VAL 23 N 1.20 1.09 0.07 3.12 -7.23 -0.50 -4.34 120.40 113.82 1xcf s VAL 23 Ca 0.02 -0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 1xcf s VAL 23 Cb -0.14 -0.98 -0.07 0.00 0.56 0.00 0.00 36.38 35.74 1xcf s VAL 23 CO -0.01 0.34 0.62 0.42 -0.31 0.00 0.00 175.10 176.16 1xcf s THR 24 N 0.47 4.70 0.33 5.32 -4.23 -1.26 -1.16 115.64 119.81 1xcf s THR 24 Ca -0.10 1.33 0.07 0.00 -1.18 0.00 0.00 61.69 61.81 1xcf s THR 24 Cb -0.14 -3.96 -0.01 0.00 1.34 0.00 0.00 72.50 69.73 1xcf s THR 24 CO 0.03 0.52 0.46 -0.76 -0.54 0.00 0.00 174.62 174.32 1xcf s LEU 25 N -0.90 3.95 0.00 4.79 1.43 0.08 -4.69 118.68 123.34 1xcf s LEU 25 Ca 0.31 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1xcf s LEU 25 Cb -0.20 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1xcf s LEU 25 CO 0.20 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1xcf n GLY 26 N -1.62 2.38 0.00 -3.19 0.00 -1.26 -4.37 105.19 97.13 1xcf n GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.84 1.61 8.00 -1.26 -3.78 116.55 116.28 1xcf n ASP 27 Ca 0.00 0.36 -0.22 0.00 0.71 0.00 0.00 54.79 55.65 1xcf n ASP 27 Cb 0.00 -0.21 0.08 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.28 3.06 1.04 0.64 -0.00 -1.26 -4.76 118.68 115.13 1xcf s LEU 28 Ca 0.00 -0.55 -0.14 0.00 -0.00 0.00 0.00 54.13 53.44 1xcf s LEU 28 Cb 0.00 -1.90 0.21 0.00 -0.00 0.00 0.00 46.19 44.51 1xcf s LEU 28 CO 0.00 -1.59 1.10 -0.83 -0.00 0.00 0.00 176.35 175.03 1xcf s GLY 29 N -4.68 1.57 0.17 -3.48 0.00 -1.26 -4.73 107.32 94.90 1xcf s GLY 29 Ca 0.64 -0.54 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 1xcf s GLY 29 CO 0.42 0.14 1.63 1.19 0.00 0.00 0.00 173.10 176.48 1xcf h ILE 30 N -2.04 0.40 -0.38 0.90 2.10 -1.98 -1.43 117.51 115.08 1xcf h ILE 30 Ca -0.52 0.00 0.06 0.00 1.08 0.00 0.00 64.86 65.47 1xcf h ILE 30 Cb 1.32 0.40 -0.05 0.00 -1.09 0.00 0.00 36.82 37.40 1xcf h ILE 30 CO 0.53 0.00 0.08 -0.08 -1.08 0.00 0.00 178.15 177.60 1xcf h GLU 31 N -0.16 0.20 -0.48 2.19 4.81 -1.99 0.13 114.58 119.29 1xcf h GLU 31 Ca 0.18 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1xcf h GLU 31 Cb 0.44 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1xcf h GLU 31 CO -0.47 0.13 -0.09 0.37 -0.73 0.00 0.00 179.01 178.23 1xcf h GLN 32 N 0.21 0.90 -0.58 1.92 5.75 -1.87 -1.72 115.11 119.72 1xcf h GLN 32 Ca 0.18 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1xcf h GLN 32 Cb 0.21 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1xcf h GLN 32 CO -0.24 0.98 0.32 0.77 -2.65 0.00 0.00 178.83 178.02 1xcf h SER 33 N 0.75 0.72 -0.27 -0.69 0.02 -0.87 -1.43 113.55 111.79 1xcf h SER 33 Ca 0.12 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1xcf h SER 33 Cb 0.63 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1xcf h SER 33 CO 0.04 0.60 0.03 -0.07 -1.14 0.00 0.00 176.83 176.29 1xcf h LEU 34 N 0.79 0.53 -0.02 5.07 3.38 -0.62 -1.69 115.31 122.74 1xcf h LEU 34 Ca 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xcf h LEU 34 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xcf h LEU 34 CO -0.03 0.58 0.00 0.11 0.09 0.00 0.00 178.44 179.19 1xcf h LYS 35 N 0.55 0.04 -0.17 1.13 1.57 -0.72 0.32 116.57 119.29 1xcf h LYS 35 Ca 0.12 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1xcf h LYS 35 Cb 0.31 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1xcf h LYS 35 CO 0.01 0.29 -0.04 0.82 -0.57 0.00 0.00 179.45 179.95 1xcf h ILE 36 N -0.21 0.82 -0.74 1.86 1.08 -1.04 0.06 117.51 119.35 1xcf h ILE 36 Ca 0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.45 1xcf h ILE 36 Cb 0.27 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1xcf h ILE 36 CO 0.00 0.00 0.35 0.40 -0.69 0.00 0.00 178.15 178.21 1xcf h ILE 37 N -0.00 1.24 -0.94 -0.67 2.04 -1.27 -1.00 117.51 116.90 1xcf h ILE 37 Ca 0.08 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1xcf h ILE 37 Cb 0.13 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1xcf h ILE 37 CO -0.18 0.28 0.56 0.44 0.00 0.00 0.00 178.15 179.25 1xcf h ASP 38 N 1.04 1.14 -0.33 1.72 3.32 -0.41 -2.32 116.42 120.57 1xcf h ASP 38 Ca 0.25 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1xcf h ASP 38 Cb 0.12 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xcf h ASP 38 CO -0.03 0.88 -0.35 0.74 -1.72 0.00 0.00 179.24 178.76 1xcf h THR 39 N 1.31 1.28 -0.54 0.35 2.02 -0.57 -1.72 112.91 115.04 1xcf h THR 39 Ca 0.34 -1.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1xcf h THR 39 Cb -0.04 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1xcf h THR 39 CO -0.06 0.51 0.17 -0.07 0.37 0.00 0.00 175.52 176.43 1xcf h LEU 40 N 0.72 0.74 -0.17 2.58 3.38 -0.93 0.38 115.31 122.01 1xcf h LEU 40 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1xcf h LEU 40 Cb 0.92 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xcf h LEU 40 CO 0.09 0.70 -0.14 0.40 0.09 0.00 0.00 178.44 179.58 1xcf h ILE 41 N 0.79 1.33 0.00 1.22 2.04 -1.29 -1.35 117.51 120.26 1xcf h ILE 41 Ca 0.18 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1xcf h ILE 41 Cb 0.23 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1xcf h ILE 41 CO -0.01 0.38 -0.22 -0.08 0.00 0.00 0.00 178.15 178.21 1xcf h GLU 42 N 0.04 0.00 0.00 2.37 4.81 -0.90 -2.31 114.58 118.58 1xcf h GLU 42 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1xcf h GLU 42 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1xcf h GLU 42 CO 0.04 0.22 -0.12 0.00 -0.73 0.00 0.00 179.01 178.42 1xcf h ALA 43 N 1.78 0.98 0.00 2.92 0.00 -0.04 -3.47 119.26 121.42 1xcf h ALA 43 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xcf h ALA 43 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xcf h ALA 43 CO 0.03 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1xcf n GLY 44 N 0.42 -0.50 3.73 0.00 0.00 -0.86 -4.34 105.19 103.63 1xcf n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.47 3.80 0.06 4.61 0.00 -0.56 -4.88 121.76 124.32 1xcf s ALA 45 Ca 0.00 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.50 1xcf s ALA 45 Cb 0.00 -3.64 -0.22 0.00 0.00 0.00 0.00 23.12 19.26 1xcf s ALA 45 CO 0.00 -0.84 1.05 -0.44 0.00 0.00 0.00 175.76 175.53 1xcf h ASP 46 N 6.35 0.01 -5.28 0.00 3.32 -1.68 -3.45 116.42 115.69 1xcf h ASP 46 Ca -0.44 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1xcf h ASP 46 Cb 1.21 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1xcf h ASP 46 CO 0.90 1.02 -0.05 0.00 -1.72 0.00 0.00 179.24 179.38 1xcf s ALA 47 N -2.67 -0.02 0.00 3.45 0.00 -1.24 -4.44 121.76 116.84 1xcf s ALA 47 Ca -0.01 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1xcf s ALA 47 Cb 0.09 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.21 1xcf s ALA 47 CO 0.82 -0.87 -0.12 -0.51 0.00 0.00 0.00 175.76 175.08 1xcf s LEU 48 N -3.10 2.06 -0.19 0.00 1.43 -0.53 -3.90 118.68 114.45 1xcf s LEU 48 Ca 0.23 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1xcf s LEU 48 Cb -0.02 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1xcf s LEU 48 CO 0.13 0.12 -0.11 -0.70 0.23 0.00 0.00 176.35 176.02 1xcf s GLU 49 N -0.49 2.07 -0.12 1.70 2.56 -0.84 -0.66 118.70 122.92 1xcf s GLU 49 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 54.97 54.20 1xcf s GLU 49 Cb -0.05 -2.37 -0.02 0.00 2.00 0.00 0.00 34.13 33.68 1xcf s GLU 49 CO -0.00 -0.40 -0.10 -0.51 -0.56 0.00 0.00 175.26 173.69 1xcf s LEU 50 N 1.41 2.93 -0.04 2.70 1.43 0.65 -1.40 118.68 126.34 1xcf s LEU 50 Ca -0.00 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1xcf s LEU 50 Cb -0.16 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1xcf s LEU 50 CO -0.09 0.20 0.01 -0.83 0.23 0.00 0.00 176.35 175.87 1xcf s GLY 51 N 0.15 1.87 -0.60 -3.19 0.00 -0.31 -0.90 107.32 104.34 1xcf s GLY 51 Ca -0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 1xcf s GLY 51 CO 0.04 -0.69 0.42 -0.42 0.00 0.00 0.00 173.10 172.45 1xcf s ILE 52 N -0.99 3.70 0.62 0.90 1.01 -0.61 -0.74 121.20 125.09 1xcf s ILE 52 Ca 0.17 -2.84 -0.16 0.00 0.00 0.00 0.00 60.65 57.82 1xcf s ILE 52 Cb -0.11 -3.42 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1xcf s ILE 52 CO 0.06 -0.86 -0.34 -2.65 0.00 0.00 0.00 174.94 171.16 1xcf n PRO 53 N 3.63 0.00 -0.40 2.79 -0.02 -1.26 -4.44 135.00 135.30 1xcf n PRO 53 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1xcf n PRO 53 Cb 0.38 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 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 -1.70 0.00 -0.98 6.00 7.35 -1.26 -4.90 117.46 121.98 1xcf n PHE 54 Ca 0.04 -0.84 0.00 0.00 -0.76 0.00 0.00 57.45 55.89 1xcf n PHE 54 Cb 0.46 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.84 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 1.49 0.00 -2.11 -2.13 0.31 -1.25 -5.16 118.33 109.48 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 0.44 -0.19 0.02 0.00 -0.91 0.00 0.00 33.84 33.20 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 4.33 0.48 2.52 -4.23 -1.26 -4.78 115.64 112.41 1xcf s THR 77 Ca 0.00 0.53 0.13 0.00 -1.18 0.00 0.00 61.69 61.17 1xcf s THR 77 Cb 0.00 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.39 1xcf s THR 77 CO 0.00 -0.88 2.10 -0.65 -0.54 0.00 0.00 174.62 174.66 1xcf h PRO 78 N -0.26 0.20 -0.57 3.99 0.11 -2.00 -1.33 132.00 132.13 1xcf h PRO 78 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1xcf h PRO 78 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1xcf h PRO 78 CO 0.62 0.13 0.09 0.00 -0.21 0.00 0.00 178.00 178.63 1xcf h ALA 79 N 1.89 1.09 -0.00 -0.75 0.00 -2.00 -1.74 119.26 117.75 1xcf h ALA 79 Ca 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1xcf h ALA 79 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xcf h ALA 79 CO -0.01 0.59 -0.65 1.96 0.00 0.00 0.00 179.25 181.14 1xcf h GLN 80 N 0.86 0.01 -0.26 0.00 4.20 -1.65 -2.64 115.11 115.64 1xcf h GLN 80 Ca 0.18 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 1xcf h GLN 80 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1xcf h GLN 80 CO 0.01 0.66 -0.23 0.00 -0.67 0.00 0.00 178.83 178.59 1xcf h PHE 82 N 0.44 0.00 -0.10 0.00 0.04 -1.10 -0.88 116.94 115.34 1xcf h PHE 82 Ca 0.07 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.66 1xcf h PHE 82 Cb 0.65 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1xcf h PHE 82 CO 0.02 0.47 -0.68 0.93 -0.60 0.00 0.00 178.31 178.45 1xcf h GLU 83 N 0.00 0.44 -0.44 1.51 5.08 -1.09 -1.87 114.58 118.22 1xcf h GLU 83 Ca -0.00 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1xcf h GLU 83 Cb 1.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1xcf h GLU 83 CO 0.06 0.97 0.06 0.52 -1.00 0.00 0.00 179.01 179.62 1xcf h MET 84 N 0.31 0.73 -0.96 2.33 2.86 -0.85 -1.12 114.93 118.24 1xcf h MET 84 Ca -0.02 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1xcf h MET 84 Cb 1.25 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1xcf h MET 84 CO 0.12 0.77 0.64 -0.07 1.06 0.00 0.00 176.91 179.43 1xcf h LEU 85 N 0.59 1.10 -0.56 1.22 3.38 -1.02 0.59 115.31 120.62 1xcf h LEU 85 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xcf h LEU 85 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1xcf h LEU 85 CO 0.01 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.49 1xcf h ALA 86 N 1.40 0.73 -0.37 1.53 0.00 -0.98 -0.77 119.26 120.80 1xcf h ALA 86 Ca 0.35 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1xcf h ALA 86 Cb -0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1xcf h ALA 86 CO -0.08 0.42 -0.14 0.82 0.00 0.00 0.00 179.25 180.27 1xcf h ILE 87 N 0.79 1.25 -0.21 0.00 2.04 -0.46 -1.30 117.51 119.62 1xcf h ILE 87 Ca 0.18 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1xcf h ILE 87 Cb 0.32 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1xcf h ILE 87 CO -0.00 0.39 -0.09 0.40 0.00 0.00 0.00 178.15 178.85 1xcf h ILE 88 N 0.60 1.30 -0.80 -0.67 2.04 -0.67 -2.47 117.51 116.84 1xcf h ILE 88 Ca 0.10 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1xcf h ILE 88 Cb 0.59 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1xcf h ILE 88 CO 0.04 0.34 0.52 -0.09 0.00 0.00 0.00 178.15 178.97 1xcf h ARG 89 N 0.13 1.03 -0.85 2.37 9.65 -1.02 0.32 114.38 126.01 1xcf h ARG 89 Ca 0.05 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1xcf h ARG 89 Cb 0.57 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1xcf h ARG 89 CO 0.03 0.68 0.53 0.93 2.80 0.00 0.00 179.97 184.94 1xcf h GLU 90 N 1.06 1.15 0.00 0.20 3.07 -1.16 -2.87 114.58 116.03 1xcf h GLU 90 Ca 0.30 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 1xcf h GLU 90 Cb -0.10 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.55 1xcf h GLU 90 CO -0.07 0.79 -0.68 -0.22 -1.40 0.00 0.00 179.01 177.43 1xcf h LYS 91 N 1.16 0.00 -2.48 2.33 3.64 -0.98 -3.39 116.57 116.85 1xcf h LYS 91 Ca 0.31 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 59.09 1xcf h LYS 91 Cb -0.07 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.35 1xcf h LYS 91 CO -0.06 0.49 -0.82 0.72 -2.27 0.00 0.00 179.45 177.51 1xcf n HIS 92 N -3.17 1.16 0.29 1.91 8.25 0.06 -4.99 115.22 118.72 1xcf n HIS 92 Ca 0.00 -3.79 0.16 0.00 -0.26 0.00 0.00 57.72 53.83 1xcf n HIS 92 Cb 0.76 -0.25 0.93 0.00 1.12 0.00 0.00 29.99 32.56 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 5.01 0.00 0.00 -0.41 0.13 -1.72 -3.21 132.00 131.81 1xcf h PRO 93 Ca 0.19 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.12 1xcf h PRO 93 Cb 0.82 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.91 1xcf h PRO 93 CO 0.57 0.00 -2.16 0.25 -0.23 0.00 0.00 178.00 176.43 1xcf n THR 94 N -3.74 0.77 -2.16 1.56 -2.24 -1.26 -4.97 114.28 102.23 1xcf n THR 94 Ca -0.02 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 1xcf n THR 94 Cb 0.13 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.97 3.19 0.24 2.28 2.07 -1.21 -4.90 121.20 119.90 1xcf s ILE 95 Ca -0.09 0.90 -0.30 0.00 -1.41 0.00 0.00 60.65 59.76 1xcf s ILE 95 Cb 0.10 -3.58 -0.09 0.00 0.13 0.00 0.00 42.46 39.02 1xcf s ILE 95 CO 0.86 0.09 1.32 -2.84 -1.91 0.00 0.00 174.94 172.47 1xcf s PRO 96 N 0.64 4.37 -0.16 3.50 0.02 -1.26 -4.93 135.00 137.17 1xcf s PRO 96 Ca 0.62 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1xcf s PRO 96 Cb -0.37 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.02 1xcf s PRO 96 CO 0.34 -0.24 -0.15 0.42 -0.33 0.00 0.00 177.00 177.03 1xcf s ILE 97 N -0.26 1.67 0.00 2.83 1.01 -1.26 -1.45 121.20 123.74 1xcf s ILE 97 Ca 0.55 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.53 1xcf s ILE 97 Cb -0.38 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1xcf s ILE 97 CO 0.43 0.45 -0.14 -0.83 0.00 0.00 0.00 174.94 174.85 1xcf s GLY 98 N 1.44 1.61 -0.05 6.18 0.00 0.17 -0.30 107.32 116.38 1xcf s GLY 98 Ca 0.04 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1xcf s GLY 98 CO -0.11 -0.94 -0.04 1.08 0.00 0.00 0.00 173.10 173.09 1xcf s LEU 99 N -1.23 3.30 -0.13 0.66 1.43 -0.20 -0.26 118.68 122.25 1xcf s LEU 99 Ca 0.14 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1xcf s LEU 99 Cb -0.11 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xcf s LEU 99 CO 0.05 0.34 -0.13 -0.22 0.23 0.00 0.00 176.35 176.62 1xcf s LEU 100 N -1.05 1.56 0.00 1.79 0.20 -0.08 -0.51 118.68 120.59 1xcf s LEU 100 Ca 0.14 -0.43 -0.03 0.00 0.69 0.00 0.00 54.13 54.51 1xcf s LEU 100 Cb -0.11 -1.08 0.01 0.00 -0.43 0.00 0.00 46.19 44.58 1xcf s LEU 100 CO 0.04 -0.06 0.31 1.15 -0.29 0.00 0.00 176.35 177.49 1xcf n MET 101 N 4.74 0.44 -4.22 1.98 0.00 -0.73 -1.58 117.12 117.76 1xcf n MET 101 Ca -0.16 -1.49 -0.30 0.00 0.00 0.00 0.00 57.70 55.75 1xcf n MET 101 Cb 0.50 1.51 -0.10 0.00 0.00 0.00 0.00 33.22 35.13 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 -4.15 2.76 0.35 3.17 2.02 -1.26 -1.32 117.35 118.92 1xcf s TYR 102 Ca 0.15 -0.15 0.14 0.00 -0.37 0.00 0.00 57.07 56.84 1xcf s TYR 102 Cb -0.01 -1.44 1.00 0.00 -0.40 0.00 0.00 41.96 41.12 1xcf s TYR 102 CO 0.11 0.44 1.73 0.00 -1.57 0.00 0.00 175.55 176.25 1xcf h ALA 103 N 3.55 1.99 -0.95 3.71 0.00 -1.92 -1.59 119.26 124.05 1xcf h ALA 103 Ca -0.49 0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.70 1xcf h ALA 103 Cb 1.17 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1xcf h ALA 103 CO 0.53 -0.47 0.60 -2.95 0.00 0.00 0.00 179.25 176.97 1xcf h ASN 104 N 0.47 0.71 -0.43 0.00 7.08 -1.99 -0.07 115.58 121.35 1xcf h ASN 104 Ca 0.65 0.06 -0.05 0.00 -3.08 0.00 0.00 56.30 53.88 1xcf h ASN 104 Cb 1.42 -0.08 -0.02 0.00 -2.08 0.00 0.00 38.32 37.57 1xcf h ASN 104 CO -0.43 0.32 0.09 0.25 -2.08 0.00 0.00 177.43 175.58 1xcf h LEU 105 N 0.73 0.67 -0.41 6.14 5.85 -1.71 -1.96 115.31 124.61 1xcf h LEU 105 Ca 0.50 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1xcf h LEU 105 Cb 0.80 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1xcf h LEU 105 CO -0.27 0.74 0.14 0.58 -0.34 0.00 0.00 178.44 179.29 1xcf h VAL 106 N 0.56 1.21 0.00 1.05 2.07 -1.14 -2.75 116.25 117.25 1xcf h VAL 106 Ca 0.13 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1xcf h VAL 106 Cb 0.34 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1xcf h VAL 106 CO 0.00 0.24 -0.20 -0.26 0.02 0.00 0.00 177.57 177.37 1xcf h PHE 107 N 0.52 0.00 -0.95 1.57 0.05 -1.01 -2.52 116.94 114.60 1xcf h PHE 107 Ca 0.13 0.00 0.25 0.00 3.82 0.00 0.00 57.97 62.17 1xcf h PHE 107 Cb 0.24 0.00 -0.13 0.00 2.00 0.00 0.00 35.95 38.06 1xcf h PHE 107 CO 0.01 0.20 0.47 -0.97 -0.18 0.00 0.00 178.31 177.84 1xcf h ASN 108 N 0.00 0.44 0.00 2.17 -1.24 -1.03 -3.11 115.58 112.80 1xcf h ASN 108 Ca -0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1xcf h ASN 108 Cb 0.40 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1xcf h ASN 108 CO 0.03 -0.01 -0.20 0.29 -1.29 0.00 0.00 177.43 176.24 1xcf n LYS 109 N -5.02 0.57 0.00 6.67 5.02 -1.21 -5.12 118.16 119.07 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 0.75 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.29 2.66 0.28 0.72 0.00 -0.95 -4.62 105.19 102.99 1xcf n GLY 110 Ca 0.03 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 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 0.50 -0.79 -0.61 2.04 -1.89 -0.75 117.51 116.01 1xcf h ILE 111 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1xcf h ILE 111 Cb 0.00 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1xcf h ILE 111 CO 0.00 0.04 0.49 -0.78 0.00 0.00 0.00 178.15 177.90 1xcf h ASP 112 N -0.78 0.80 -0.93 1.72 3.58 -1.92 -1.83 116.42 117.06 1xcf h ASP 112 Ca -0.07 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.40 1xcf h ASP 112 Cb 0.56 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1xcf h ASP 112 CO 0.11 0.53 0.62 -0.33 -2.88 0.00 0.00 179.24 177.29 1xcf h GLU 113 N 0.94 1.22 -0.15 0.28 3.07 -1.79 -0.73 114.58 117.42 1xcf h GLU 113 Ca 0.33 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 1xcf h GLU 113 Cb 0.08 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1xcf h GLU 113 CO -0.14 0.81 0.06 0.35 -1.40 0.00 0.00 179.01 178.69 1xcf h PHE 114 N 1.26 0.23 0.00 4.33 3.57 -0.31 -1.66 116.94 124.36 1xcf h PHE 114 Ca 0.34 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1xcf h PHE 114 Cb -0.14 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1xcf h PHE 114 CO -0.01 0.31 -0.30 1.88 -2.23 0.00 0.00 178.31 177.97 1xcf h TYR 115 N 0.07 0.00 -0.42 0.41 0.05 -1.25 -1.64 116.97 114.20 1xcf h TYR 115 Ca 0.05 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 1xcf h TYR 115 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1xcf h TYR 115 CO -0.01 0.30 -0.11 0.00 -1.05 0.00 0.00 178.16 177.28 1xcf h ALA 116 N 1.70 0.59 -0.59 3.88 0.00 -0.85 -1.39 119.26 122.59 1xcf h ALA 116 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1xcf h ALA 116 Cb 0.67 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1xcf h ALA 116 CO 0.04 0.48 0.11 -0.09 0.00 0.00 0.00 179.25 179.79 1xcf h ARG 117 N 0.65 0.95 -0.33 0.00 2.43 -0.86 0.01 114.38 117.23 1xcf h ARG 117 Ca 0.11 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1xcf h ARG 117 Cb 0.65 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1xcf h ARG 117 CO 0.04 0.87 0.11 0.00 -1.51 0.00 0.00 179.97 179.48 1xcf h GLU 119 N 0.38 0.83 -0.33 0.00 4.81 -0.97 -0.40 114.58 118.89 1xcf h GLU 119 Ca 0.11 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1xcf h GLU 119 Cb 0.24 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1xcf h GLU 119 CO -0.00 0.63 0.10 -0.22 -0.73 0.00 0.00 179.01 178.79 1xcf h LYS 120 N 0.80 0.23 0.00 1.92 3.64 -0.74 -2.60 116.57 119.83 1xcf h LYS 120 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xcf h LYS 120 Cb 0.05 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xcf h LYS 120 CO -0.03 0.15 0.00 -0.39 -2.27 0.00 0.00 179.45 176.91 1xcf h VAL 121 N 0.24 0.00 0.00 2.00 -1.51 -1.19 -3.47 116.25 112.32 1xcf h VAL 121 Ca 0.15 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1xcf h VAL 121 Cb 0.13 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1xcf h VAL 121 CO -0.16 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.79 1xcf n GLY 122 N 0.99 1.13 3.73 5.19 0.00 -0.69 -4.48 105.19 111.06 1xcf n GLY 122 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.46 -0.05 1.61 1.01 -0.25 -4.78 120.40 119.41 1xcf s VAL 123 Ca 0.00 1.15 0.13 0.00 0.00 0.00 0.00 61.98 63.26 1xcf s VAL 123 Cb 0.00 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.43 1xcf s VAL 123 CO 0.00 0.14 0.74 0.44 0.00 0.00 0.00 175.10 176.42 1xcf h ASP 124 N 5.86 0.00 -5.11 3.32 3.32 -0.97 -3.42 116.42 119.41 1xcf h ASP 124 Ca -0.44 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 1xcf h ASP 124 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1xcf h ASP 124 CO 0.79 0.93 -0.25 -0.94 -1.72 0.00 0.00 179.24 178.05 1xcf s SER 125 N -6.08 -0.04 -0.04 6.45 1.04 -1.14 -1.25 113.70 112.64 1xcf s SER 125 Ca -0.04 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.93 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 0.82 -0.76 -0.00 -0.69 0.98 0.00 0.00 173.24 173.59 1xcf s VAL 126 N -3.66 0.23 -0.27 5.02 1.01 -0.60 -1.03 120.40 121.11 1xcf s VAL 126 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1xcf s VAL 126 Cb 0.03 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.14 1xcf s VAL 126 CO -0.10 0.17 -0.09 -0.22 0.00 0.00 0.00 175.10 174.86 1xcf s LEU 127 N 1.14 3.58 -0.72 3.92 0.20 0.33 -1.39 118.68 125.75 1xcf s LEU 127 Ca -0.08 -1.42 -0.20 0.00 0.69 0.00 0.00 54.13 53.12 1xcf s LEU 127 Cb -0.13 -1.58 0.10 0.00 -0.43 0.00 0.00 46.19 44.15 1xcf s LEU 127 CO -0.02 -0.21 0.92 -0.69 -0.29 0.00 0.00 176.35 176.06 1xcf s VAL 128 N 1.11 4.63 0.31 1.68 1.01 -1.26 -1.78 120.40 126.10 1xcf s VAL 128 Ca -0.07 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1xcf s VAL 128 Cb -0.20 -4.64 0.30 0.00 0.00 0.00 0.00 36.38 31.84 1xcf s VAL 128 CO -0.05 -1.36 1.75 0.00 0.00 0.00 0.00 175.10 175.45 1xcf h ALA 129 N 9.19 1.71 -0.56 5.51 0.00 -1.59 -2.90 119.26 130.62 1xcf h ALA 129 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xcf h ALA 129 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xcf h ALA 129 CO 1.12 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 1xcf n ASP 130 N -4.84 4.92 -4.38 0.00 5.75 -1.26 -4.86 116.55 111.88 1xcf n ASP 130 Ca 0.25 -2.64 -0.38 0.00 -0.01 0.00 0.00 54.79 52.01 1xcf n ASP 130 Cb 0.65 -0.62 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.24 4.17 0.65 2.12 1.01 -1.10 -4.94 120.40 120.07 1xcf s VAL 131 Ca 0.49 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1xcf s VAL 131 Cb 0.35 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1xcf s VAL 131 CO 0.18 0.09 1.16 -2.16 0.00 0.00 0.00 175.10 174.38 1xcf s PRO 132 N 1.54 2.72 0.34 2.72 0.04 -1.26 -4.88 135.00 136.22 1xcf s PRO 132 Ca 0.03 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1xcf s PRO 132 Cb -0.17 -1.92 0.79 0.00 0.04 0.00 0.00 34.50 33.24 1xcf s PRO 132 CO 0.04 -1.36 1.84 0.28 0.04 0.00 0.00 177.00 177.84 1xcf h VAL 133 N 0.26 0.79 0.00 -0.36 2.07 -1.98 -1.56 116.25 115.48 1xcf h VAL 133 Ca -0.48 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1xcf h VAL 133 Cb 1.27 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1xcf h VAL 133 CO 0.53 0.13 -0.04 -0.33 0.02 0.00 0.00 177.57 177.88 1xcf h GLU 134 N 0.72 0.00 -0.23 1.57 3.07 -2.04 -2.52 114.58 115.15 1xcf h GLU 134 Ca 0.49 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.33 1xcf h GLU 134 Cb 0.79 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1xcf h GLU 134 CO -0.25 0.04 -0.01 0.39 -1.40 0.00 0.00 179.01 177.78 1xcf n GLU 135 N -3.91 2.53 0.05 2.33 1.02 -0.60 -4.68 120.64 117.37 1xcf n GLU 135 Ca -0.03 -2.85 0.12 0.00 -0.02 0.00 0.00 57.16 54.39 1xcf n GLU 135 Cb 0.13 -1.79 0.30 0.00 -0.02 0.00 0.00 31.44 30.06 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 -0.74 0.57 -0.39 1.62 3.41 -0.95 -4.55 113.62 112.59 1xcf n SER 136 Ca 0.22 0.18 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1xcf n SER 136 Cb 0.88 -0.10 -0.01 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 n ALA 137 N -1.69 -0.29 -0.12 7.33 0.00 -1.26 -0.99 120.51 123.48 1xcf n ALA 137 Ca 0.05 0.94 -0.00 0.00 0.00 0.00 0.00 53.44 54.43 1xcf n ALA 137 Cb 0.40 -0.34 0.26 0.00 0.00 0.00 0.00 19.45 19.76 1xcf n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xcf h PRO 138 N 0.00 0.80 -0.14 0.00 0.13 -1.99 -0.88 132.00 129.92 1xcf h PRO 138 Ca 0.29 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1xcf h PRO 138 Cb 0.53 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 1xcf h PRO 138 CO -0.97 0.63 -0.24 0.74 -0.23 0.00 0.00 178.00 177.93 1xcf h PHE 139 N 0.80 0.52 0.00 1.56 -1.00 -1.50 -2.26 116.94 115.06 1xcf h PHE 139 Ca 0.20 -0.18 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 1xcf h PHE 139 Cb 0.10 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1xcf h PHE 139 CO 0.01 0.86 -0.43 0.07 -1.61 0.00 0.00 178.31 177.21 1xcf h ARG 140 N 0.03 0.00 0.00 1.51 0.11 -0.92 -1.40 114.38 113.71 1xcf h ARG 140 Ca 0.01 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.91 1xcf h ARG 140 Cb 0.82 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.88 1xcf h ARG 140 CO 0.05 0.43 -0.84 1.96 0.10 0.00 0.00 179.97 181.67 1xcf h GLN 141 N 0.00 0.10 -0.15 0.08 4.20 -1.15 -1.39 115.11 116.80 1xcf h GLN 141 Ca -0.00 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1xcf h GLN 141 Cb 0.79 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1xcf h GLN 141 CO 0.06 0.88 -0.59 0.00 -0.67 0.00 0.00 178.83 178.51 1xcf h ALA 142 N 1.08 0.70 -0.15 3.87 0.00 -1.12 -1.54 119.26 122.10 1xcf h ALA 142 Ca -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1xcf h ALA 142 Cb 1.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1xcf h ALA 142 CO 0.12 0.70 0.04 0.00 0.00 0.00 0.00 179.25 180.11 1xcf h ALA 143 N 1.00 0.20 -0.91 0.00 0.00 -1.07 -2.28 119.26 116.19 1xcf h ALA 143 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xcf h ALA 143 Cb 1.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1xcf h ALA 143 CO 0.11 -0.17 0.55 -0.07 0.00 0.00 0.00 179.25 179.67 1xcf h LEU 144 N 0.05 1.09 -1.67 0.00 3.38 -1.17 0.04 115.31 117.03 1xcf h LEU 144 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xcf h LEU 144 Cb 0.26 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xcf h LEU 144 CO 0.00 0.84 -0.06 0.03 0.09 0.00 0.00 178.44 179.34 1xcf h ARG 145 N 1.25 0.00 -0.22 1.13 3.08 -1.11 -3.05 114.38 115.46 1xcf h ARG 145 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1xcf h ARG 145 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1xcf h ARG 145 CO -0.06 0.06 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 1xcf n HIS 146 N -3.22 0.74 -3.41 3.04 8.25 -0.75 -4.98 115.22 114.88 1xcf n HIS 146 Ca -0.00 -0.87 -0.24 0.00 -0.26 0.00 0.00 57.72 56.34 1xcf n HIS 146 Cb 0.29 -0.27 0.05 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.61 -5.85 -4.38 0.41 3.02 -0.79 -4.61 115.26 102.44 1xcf n ASN 147 Ca 0.20 -0.47 -0.32 0.00 -0.03 0.00 0.00 54.58 53.95 1xcf n ASN 147 Cb 0.82 -4.67 -0.14 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.23 2.77 -0.12 2.41 1.01 -0.07 -4.89 120.40 118.27 1xcf s VAL 148 Ca 0.48 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1xcf s VAL 148 Cb -0.22 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1xcf s VAL 148 CO 0.59 0.56 1.14 0.00 0.00 0.00 0.00 175.10 177.39 1xcf s ALA 149 N -0.22 3.54 -0.12 5.51 0.00 -0.38 -3.95 121.76 126.15 1xcf s ALA 149 Ca -0.00 0.44 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 1xcf s ALA 149 Cb -0.13 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1xcf s ALA 149 CO 0.03 -0.87 0.90 -1.25 0.00 0.00 0.00 175.76 174.58 1xcf s PRO 150 N 2.62 4.38 -0.14 0.00 0.04 -1.26 -1.56 135.00 139.09 1xcf s PRO 150 Ca 0.52 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 1xcf s PRO 150 Cb -0.21 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1xcf s PRO 150 CO 0.16 -0.26 0.14 0.42 0.04 0.00 0.00 177.00 177.50 1xcf s ILE 151 N 1.86 5.47 0.10 0.56 -1.09 -0.49 -2.64 121.20 124.98 1xcf s ILE 151 Ca 0.43 0.20 0.10 0.00 -2.23 0.00 0.00 60.65 59.15 1xcf s ILE 151 Cb -0.18 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1xcf s ILE 151 CO 0.16 0.58 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.84 1xcf s PHE 152 N -0.75 2.33 -0.18 3.97 0.08 -1.26 -4.51 117.98 117.66 1xcf s PHE 152 Ca 0.14 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 1xcf s PHE 152 Cb -0.12 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 1xcf s PHE 152 CO 0.03 0.28 0.33 0.42 -0.10 0.00 0.00 175.22 176.17 1xcf s ILE 153 N -0.99 5.27 -0.30 0.64 1.01 -1.26 -1.73 121.20 123.85 1xcf s ILE 153 Ca 0.14 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 1xcf s ILE 153 Cb -0.10 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1xcf s ILE 153 CO 0.05 0.33 0.08 0.00 0.00 0.00 0.00 174.94 175.40 1xcf s PRO 155 N 1.50 2.09 0.26 0.00 0.04 -1.26 -1.04 135.00 136.59 1xcf s PRO 155 Ca 0.02 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1xcf s PRO 155 Cb -0.17 -1.89 0.30 0.00 0.04 0.00 0.00 34.50 32.77 1xcf s PRO 155 CO 0.02 -1.70 1.93 -1.35 0.04 0.00 0.00 177.00 175.95 1xcf h PRO 156 N -1.16 1.27 -1.34 0.56 0.11 -1.91 -3.07 132.00 126.47 1xcf h PRO 156 Ca -0.45 -0.08 -0.69 0.00 0.11 0.00 0.00 66.00 64.88 1xcf h PRO 156 Cb 1.25 -0.29 -0.30 0.00 0.11 0.00 0.00 31.00 31.77 1xcf h PRO 156 CO 0.54 0.85 0.68 0.27 -0.21 0.00 0.00 178.00 180.13 1xcf n ASN 157 N -4.38 7.21 -4.71 -2.05 0.23 -1.26 -2.05 115.26 108.25 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 0.02 -0.92 -0.03 0.00 -2.08 0.00 0.00 39.78 36.77 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 -3.87 3.44 1.18 -2.53 0.00 -1.16 -4.89 121.76 113.92 1xcf s ALA 158 Ca 0.58 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 1xcf s ALA 158 Cb 0.47 -3.48 0.28 0.00 0.00 0.00 0.00 23.12 20.39 1xcf s ALA 158 CO -0.15 -0.56 1.14 0.16 0.00 0.00 0.00 175.76 176.35 1xcf s ASP 159 N 1.23 1.15 0.27 0.00 3.84 -1.26 -4.82 116.67 117.09 1xcf s ASP 159 Ca 0.59 0.58 -0.01 0.00 -0.00 0.00 0.00 52.55 53.70 1xcf s ASP 159 Cb -0.29 -0.79 0.38 0.00 -1.38 0.00 0.00 42.92 40.84 1xcf s ASP 159 CO 0.27 -3.97 1.80 -0.78 -0.00 0.00 0.00 175.17 172.49 1xcf h ASP 160 N -2.48 0.77 0.96 2.11 3.58 -2.00 -2.74 116.42 116.62 1xcf h ASP 160 Ca -0.45 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 56.80 1xcf h ASP 160 Cb 1.29 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 42.14 1xcf h ASP 160 CO 0.34 0.78 -0.46 0.44 -2.88 0.00 0.00 179.24 177.46 1xcf h ASP 161 N 0.78 -1.09 -0.80 2.28 3.45 -2.00 -2.03 116.42 117.01 1xcf h ASP 161 Ca 0.17 0.04 0.19 0.00 0.43 0.00 0.00 57.03 57.85 1xcf h ASP 161 Cb 0.35 0.28 -0.12 0.00 -0.56 0.00 0.00 39.33 39.28 1xcf h ASP 161 CO 0.01 -0.76 0.23 0.25 -1.57 0.00 0.00 179.24 177.39 1xcf h LEU 162 N -1.34 0.06 -1.10 1.55 5.85 -1.92 0.20 115.31 118.61 1xcf h LEU 162 Ca -0.13 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xcf h LEU 162 Cb 0.99 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1xcf h LEU 162 CO 0.22 -0.06 0.61 -0.07 -0.34 0.00 0.00 178.44 178.80 1xcf h LEU 163 N 0.28 1.04 -0.53 2.25 3.38 -1.35 0.21 115.31 120.59 1xcf h LEU 163 Ca 0.47 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.28 1xcf h LEU 163 Cb 0.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1xcf h LEU 163 CO -0.55 0.75 -0.30 0.03 0.09 0.00 0.00 178.44 178.46 1xcf h ARG 164 N 1.23 0.87 -0.12 1.13 3.08 0.08 -1.28 114.38 119.37 1xcf h ARG 164 Ca 0.34 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1xcf h ARG 164 Cb -0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1xcf h ARG 164 CO -0.08 1.05 -0.07 0.37 -1.07 0.00 0.00 179.97 180.17 1xcf h GLN 165 N 0.74 0.25 -0.71 0.04 4.15 -0.56 -1.35 115.11 117.67 1xcf h GLN 165 Ca 0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1xcf h GLN 165 Cb 0.86 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1xcf h GLN 165 CO 0.08 0.62 0.32 0.82 -1.93 0.00 0.00 178.83 178.74 1xcf h ILE 166 N -0.11 1.24 -0.11 2.39 2.04 -0.62 0.14 117.51 122.47 1xcf h ILE 166 Ca 0.02 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 1xcf h ILE 166 Cb 0.55 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1xcf h ILE 166 CO 0.02 0.29 -0.22 0.00 0.00 0.00 0.00 178.15 178.24 1xcf h ALA 167 N 1.16 1.43 0.11 1.87 0.00 -1.21 -1.91 119.26 120.70 1xcf h ALA 167 Ca 0.24 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1xcf h ALA 167 Cb 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xcf h ALA 167 CO -0.03 0.40 -0.91 1.03 0.00 0.00 0.00 179.25 179.74 1xcf h SER 168 N 0.17 0.61 0.66 0.00 0.87 -0.32 -3.39 113.55 112.17 1xcf h SER 168 Ca 0.03 -0.87 -0.27 0.00 -1.23 0.00 0.00 61.79 59.45 1xcf h SER 168 Cb 0.49 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1xcf h SER 168 CO 0.03 1.43 -1.36 1.88 -0.53 0.00 0.00 176.83 178.28 1xcf h TYR 169 N -0.11 0.22 -4.33 2.24 0.05 -0.76 -3.48 116.97 110.80 1xcf h TYR 169 Ca -0.15 -0.16 -0.50 0.00 0.05 0.00 0.00 58.73 57.97 1xcf h TYR 169 Cb 1.66 -0.01 0.10 0.00 1.01 0.00 0.00 36.73 39.49 1xcf h TYR 169 CO 0.16 1.17 0.37 0.20 -1.05 0.00 0.00 178.16 179.01 1xcf s GLY 170 N -4.87 1.65 0.12 3.88 0.00 -0.72 -4.79 107.32 102.59 1xcf s GLY 170 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.51 1xcf s GLY 170 CO 0.84 0.30 0.30 0.50 0.00 0.00 0.00 173.10 175.04 1xcf s ARG 171 N -5.11 1.02 0.00 2.90 1.81 -1.08 -4.62 118.95 113.87 1xcf s ARG 171 Ca 0.59 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1xcf s ARG 171 Cb -0.14 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.77 1xcf s ARG 171 CO 0.54 -0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 1xcf n GLY 172 N -0.16 2.21 3.60 -3.53 0.00 -1.26 -4.45 105.19 101.59 1xcf n GLY 172 Ca -0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.35 -0.15 1.61 -0.71 -1.26 -4.26 117.98 112.85 1xcf s PHE 173 Ca 0.00 0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.94 1xcf s PHE 173 Cb 0.00 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1xcf s PHE 173 CO 0.00 -0.88 -0.04 0.99 -1.34 0.00 0.00 175.22 173.95 1xcf s THR 174 N -3.58 3.84 -0.38 -4.49 2.01 0.38 -4.57 115.64 108.84 1xcf s THR 174 Ca 0.06 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 1xcf s THR 174 Cb -0.02 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1xcf s THR 174 CO -0.05 0.50 0.69 -0.47 -0.69 0.00 0.00 174.62 174.59 1xcf s TYR 175 N 0.36 3.11 -0.30 4.92 6.14 -0.70 -0.89 117.35 129.99 1xcf s TYR 175 Ca -0.05 0.30 -0.25 0.00 0.64 0.00 0.00 57.07 57.72 1xcf s TYR 175 Cb -0.14 -3.29 0.00 0.00 0.42 0.00 0.00 41.96 38.95 1xcf s TYR 175 CO 0.03 -0.73 0.85 -0.51 0.64 0.00 0.00 175.55 175.82 1xcf s LEU 176 N 2.88 4.06 0.53 6.97 1.02 -0.37 0.32 118.68 134.10 1xcf s LEU 176 Ca 0.26 0.79 -0.22 0.00 0.02 0.00 0.00 54.13 54.98 1xcf s LEU 176 Cb -0.14 -3.18 -0.06 0.00 0.02 0.00 0.00 46.19 42.84 1xcf s LEU 176 CO 0.17 -0.65 1.26 -0.11 0.02 0.00 0.00 176.35 177.05 1xcf n LEU 177 N 6.29 4.87 -4.78 1.79 7.94 -0.21 -0.31 117.00 132.59 1xcf n LEU 177 Ca 0.05 0.97 -0.41 0.00 -1.11 0.00 0.00 56.01 55.52 1xcf n LEU 177 Cb 0.48 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1xcf n LEU 177 CO 0.51 -0.85 1.12 -0.55 -1.11 0.00 0.00 177.39 176.52 1xcf s SER 178 N -0.90 6.27 0.00 1.96 0.15 -1.25 -4.64 113.70 115.28 1xcf s SER 178 Ca 0.70 3.02 0.00 0.00 0.70 0.00 0.00 55.95 60.37 1xcf s SER 178 Cb -0.44 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 1xcf s SER 178 CO 0.50 -0.92 0.70 0.54 1.20 0.00 0.00 173.24 175.27 1xcf n ARG 179 N 0.34 0.00 -3.83 5.44 3.00 -1.26 -4.90 116.66 115.45 1xcf n ARG 179 Ca 0.02 0.39 -0.27 0.00 -0.01 0.00 0.00 57.85 57.98 1xcf n ARG 179 Cb 0.40 -1.20 -0.17 0.00 0.00 0.00 0.00 32.46 31.49 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 -2.78 1.19 0.26 7.54 0.00 -1.26 -4.99 121.76 121.70 1xcf s ALA 180 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1xcf s ALA 180 Cb 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 23.12 21.99 1xcf s ALA 180 CO 0.00 -0.78 1.15 0.00 0.00 0.00 0.00 175.76 176.13 1xcf s ALA 189 N 1.77 3.43 0.20 0.00 0.00 -1.26 -5.16 121.76 120.73 1xcf s ALA 189 Ca 0.01 0.96 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 1xcf s ALA 189 Cb -0.15 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1xcf s ALA 189 CO -0.07 -0.28 1.66 0.00 0.00 0.00 0.00 175.76 177.06 1xcf s ALA 190 N -0.81 3.87 0.21 0.00 0.00 -1.26 -4.56 121.76 119.21 1xcf s ALA 190 Ca 0.48 1.51 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 1xcf s ALA 190 Cb -0.33 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.04 1xcf s ALA 190 CO 0.41 -0.87 0.78 -0.51 0.00 0.00 0.00 175.76 175.57 1xcf s LEU 191 N 1.05 4.48 0.34 0.00 1.43 -0.87 -4.93 118.68 120.18 1xcf s LEU 191 Ca 0.72 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1xcf s LEU 191 Cb -0.47 -3.49 -0.11 0.00 0.03 0.00 0.00 46.19 42.15 1xcf s LEU 191 CO 0.33 0.12 1.52 -2.16 0.23 0.00 0.00 176.35 176.38 1xcf s PRO 192 N -1.54 4.13 0.27 1.29 0.04 -1.26 -4.73 135.00 133.19 1xcf s PRO 192 Ca 0.40 2.56 -0.00 0.00 0.04 0.00 0.00 61.00 64.00 1xcf s PRO 192 Cb -0.20 -3.00 0.62 0.00 0.04 0.00 0.00 34.50 31.96 1xcf s PRO 192 CO 0.24 -0.56 1.37 -0.11 0.04 0.00 0.00 177.00 177.99 1xcf n LEU 193 N 1.15 -0.15 -0.13 -3.56 0.00 -1.26 -0.46 117.00 112.61 1xcf n LEU 193 Ca 0.04 1.49 -0.04 0.00 0.00 0.00 0.00 56.01 57.50 1xcf n LEU 193 Cb 0.39 -0.53 0.03 0.00 0.00 0.00 0.00 43.42 43.31 1xcf n LEU 193 CO 0.63 -1.50 0.84 0.78 0.00 0.00 0.00 177.39 178.15 1xcf h ASN 194 N 0.00 -0.19 0.64 1.96 2.35 -1.90 -0.72 115.58 117.73 1xcf h ASN 194 Ca 0.51 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 56.33 1xcf h ASN 194 Cb 1.00 0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.56 1xcf h ASN 194 CO -0.84 -0.06 -0.31 -0.74 -1.65 0.00 0.00 177.43 173.83 1xcf h HIS 195 N 0.10 -0.80 -0.73 1.19 2.76 -1.10 0.20 115.15 116.77 1xcf h HIS 195 Ca 0.20 -0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.49 1xcf h HIS 195 Cb 0.29 0.27 -0.09 0.00 1.55 0.00 0.00 27.41 29.43 1xcf h HIS 195 CO -0.28 -0.48 0.27 1.25 -1.30 0.00 0.00 177.93 177.39 1xcf h LEU 196 N -0.93 0.24 -0.08 0.26 5.85 -1.29 0.15 115.31 119.51 1xcf h LEU 196 Ca -0.09 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xcf h LEU 196 Cb 0.68 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xcf h LEU 196 CO 0.15 0.09 -0.02 0.58 -0.34 0.00 0.00 178.44 178.89 1xcf h VAL 197 N 0.42 1.29 -0.74 1.05 2.07 -1.04 -1.99 116.25 117.31 1xcf h VAL 197 Ca 0.40 -0.94 0.13 0.00 0.82 0.00 0.00 66.70 67.11 1xcf h VAL 197 Cb 0.60 1.76 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 1xcf h VAL 197 CO -0.40 0.26 0.30 0.00 0.02 0.00 0.00 177.57 177.75 1xcf h ALA 198 N 0.67 1.03 0.00 1.67 0.00 0.53 -0.83 119.26 122.34 1xcf h ALA 198 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xcf h ALA 198 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xcf h ALA 198 CO 0.01 -0.19 -0.00 0.87 0.00 0.00 0.00 179.25 179.94 1xcf h LYS 199 N 0.46 -0.00 -0.98 0.00 1.57 -0.68 -2.20 116.57 114.74 1xcf h LYS 199 Ca 0.40 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.32 1xcf h LYS 199 Cb 0.57 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 1xcf h LYS 199 CO -0.38 0.32 0.62 -0.07 -0.57 0.00 0.00 179.45 179.36 1xcf h LEU 200 N -0.32 0.84 -1.06 2.94 3.38 -0.72 0.42 115.31 120.78 1xcf h LEU 200 Ca -0.00 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1xcf h LEU 200 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xcf h LEU 200 CO 0.00 0.42 -0.43 0.11 0.09 0.00 0.00 178.44 178.62 1xcf h LYS 201 N 0.88 0.07 0.00 1.13 1.57 -1.10 -1.14 116.57 117.99 1xcf h LYS 201 Ca 0.50 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1xcf h LYS 201 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xcf h LYS 201 CO -0.27 0.50 -0.29 1.49 -0.57 0.00 0.00 179.45 180.31 1xcf h GLU 202 N 0.06 0.00 -0.42 3.15 4.81 0.41 -2.98 114.58 119.61 1xcf h GLU 202 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xcf h GLU 202 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1xcf h GLU 202 CO 0.06 0.29 0.01 0.66 -0.73 0.00 0.00 179.01 179.30 1xcf n TYR 203 N -3.54 1.53 -2.10 0.92 4.01 -0.31 -4.96 117.16 112.71 1xcf n TYR 203 Ca -0.00 -0.83 -0.20 0.00 -0.16 0.00 0.00 57.90 56.70 1xcf n TYR 203 Cb 0.43 -0.42 -0.04 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.01 -5.63 -4.76 7.72 3.02 -1.10 -4.63 115.26 109.89 1xcf n ASN 204 Ca 0.25 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.63 1xcf n ASN 204 Cb 1.06 -4.74 0.06 0.00 -0.61 0.00 0.00 39.78 35.55 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 -2.91 2.40 0.63 5.41 0.00 -0.47 -4.90 121.76 121.92 1xcf s ALA 205 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1xcf s ALA 205 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1xcf s ALA 205 CO 0.00 -1.38 1.26 0.00 0.00 0.00 0.00 175.76 175.64 1xcf s ALA 206 N -2.23 2.42 -0.33 0.00 0.00 -1.26 -4.81 121.76 115.55 1xcf s ALA 206 Ca 0.69 1.13 -0.44 0.00 0.00 0.00 0.00 51.96 53.34 1xcf s ALA 206 Cb -0.22 -3.52 -0.20 0.00 0.00 0.00 0.00 23.12 19.18 1xcf s ALA 206 CO 0.42 -1.47 1.41 -2.30 0.00 0.00 0.00 175.76 173.81 1xcf n PRO 207 N -1.84 0.00 -2.73 0.00 -0.02 -1.26 -3.25 135.00 125.90 1xcf n PRO 207 Ca 0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1xcf n PRO 207 Cb 0.49 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.96 4.57 -0.16 0.52 0.04 -1.26 -0.47 135.00 140.20 1xcf s PRO 208 Ca 0.99 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1xcf s PRO 208 Cb -1.41 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1xcf s PRO 208 CO 0.73 -0.02 -0.16 -0.51 0.04 0.00 0.00 177.00 177.08 1xcf s LEU 209 N 0.91 2.41 -0.07 -3.56 1.43 -0.07 -0.14 118.68 119.58 1xcf s LEU 209 Ca 0.51 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 1xcf s LEU 209 Cb -0.21 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1xcf s LEU 209 CO 0.28 0.06 1.18 -1.58 0.23 0.00 0.00 176.35 176.52 1xcf s GLN 210 N 0.97 4.35 0.33 1.70 2.00 -0.48 -1.23 119.66 127.30 1xcf s GLN 210 Ca -0.03 1.64 -0.13 0.00 -2.00 0.00 0.00 55.36 54.84 1xcf s GLN 210 Cb -0.15 -3.57 -0.08 0.00 0.80 0.00 0.00 33.01 30.01 1xcf s GLN 210 CO -0.03 -0.45 0.73 0.20 -0.50 0.00 0.00 175.29 175.23 1xcf s GLY 211 N 1.47 2.24 0.00 2.59 0.00 0.57 -1.43 107.32 112.76 1xcf s GLY 211 Ca 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1xcf s GLY 211 CO 0.21 0.15 0.00 0.69 0.00 0.00 0.00 173.10 174.15 1xcf n PHE 212 N -0.56 0.00 0.00 1.90 3.01 0.02 -3.79 117.46 118.04 1xcf n PHE 212 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xcf n PHE 212 Cb 0.53 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 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 2.01 2.23 3.30 1.37 0.00 -1.26 -4.80 105.19 108.04 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 -0.02 0.16 -0.61 1.01 -1.25 -1.35 121.20 119.13 1xcf s ILE 214 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 1xcf s ILE 214 Cb 0.00 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1xcf s ILE 214 CO 0.00 0.03 0.35 -0.94 0.00 0.00 0.00 174.94 174.38 1xcf s SER 215 N 1.26 -0.06 0.23 3.58 1.04 -1.26 -4.95 113.70 113.54 1xcf s SER 215 Ca -0.08 -0.66 0.09 0.00 0.48 0.00 0.00 55.95 55.78 1xcf s SER 215 Cb -0.08 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1xcf s SER 215 CO -0.11 -0.91 -0.02 0.00 0.98 0.00 0.00 173.24 173.18 1xcf s ALA 216 N -3.90 3.14 0.26 5.32 0.00 -1.26 -5.03 121.76 120.29 1xcf s ALA 216 Ca 0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1xcf s ALA 216 Cb 0.02 -0.83 0.55 0.00 0.00 0.00 0.00 23.12 22.86 1xcf s ALA 216 CO -0.04 0.35 1.71 -1.35 0.00 0.00 0.00 175.76 176.43 1xcf h PRO 217 N 2.25 0.40 -0.33 0.00 0.11 -1.93 -0.68 132.00 131.82 1xcf h PRO 217 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1xcf h PRO 217 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1xcf h PRO 217 CO 0.59 0.26 0.16 0.38 -0.21 0.00 0.00 178.00 179.18 1xcf h ASP 218 N 0.41 0.41 -0.27 -2.05 3.04 -1.96 -0.82 116.42 115.18 1xcf h ASP 218 Ca 0.46 -0.03 -0.15 0.00 -3.24 0.00 0.00 57.03 54.08 1xcf h ASP 218 Cb 0.78 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.95 1xcf h ASP 218 CO -0.46 0.35 -0.37 1.56 -2.04 0.00 0.00 179.24 178.28 1xcf h GLN 219 N 0.46 0.81 -0.19 4.15 4.20 -1.53 -1.46 115.11 121.55 1xcf h GLN 219 Ca 0.12 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1xcf h GLN 219 Cb 0.06 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xcf h GLN 219 CO -0.02 1.04 0.01 0.28 -0.67 0.00 0.00 178.83 179.48 1xcf h VAL 220 N 0.67 1.24 -0.67 -0.54 2.07 -1.03 -2.14 116.25 115.84 1xcf h VAL 220 Ca 0.06 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1xcf h VAL 220 Cb 0.93 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1xcf h VAL 220 CO 0.09 0.25 0.39 0.50 0.02 0.00 0.00 177.57 178.82 1xcf h LYS 221 N 0.10 0.71 -0.35 1.57 3.64 -1.08 -1.77 116.57 119.39 1xcf h LYS 221 Ca 0.06 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1xcf h LYS 221 Cb 0.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1xcf h LYS 221 CO 0.01 0.47 0.04 0.00 -2.27 0.00 0.00 179.45 177.70 1xcf h ALA 222 N 1.33 1.42 -0.38 5.00 0.00 -1.12 0.70 119.26 126.20 1xcf h ALA 222 Ca 0.29 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xcf h ALA 222 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xcf h ALA 222 CO -0.16 0.42 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 1xcf h ALA 223 N 1.54 0.54 -0.15 0.00 0.00 -0.67 -2.32 119.26 118.20 1xcf h ALA 223 Ca 0.12 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1xcf h ALA 223 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xcf h ALA 223 CO 0.00 0.51 -0.63 0.82 0.00 0.00 0.00 179.25 179.96 1xcf h ILE 224 N 0.63 1.33 0.00 0.00 2.04 -1.01 -1.54 117.51 118.96 1xcf h ILE 224 Ca 0.08 -1.92 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 1xcf h ILE 224 Cb 0.77 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1xcf h ILE 224 CO 0.06 0.59 -0.20 0.44 0.00 0.00 0.00 178.15 179.04 1xcf h ASP 225 N 0.39 0.00 -0.08 1.72 3.32 -0.82 -0.55 116.42 120.40 1xcf h ASP 225 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xcf h ASP 225 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1xcf h ASP 225 CO 0.12 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1xcf n ALA 226 N -2.32 2.56 0.00 3.45 0.00 -0.88 -4.90 120.51 118.42 1xcf n ALA 226 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xcf n ALA 226 Cb 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.93 0.45 3.76 0.00 0.00 -0.21 -4.10 105.19 106.01 1xcf n GLY 227 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 2.53 -0.92 4.61 0.00 -0.60 -4.91 121.76 120.48 1xcf s ALA 228 Ca 0.00 0.88 0.25 0.00 0.00 0.00 0.00 51.96 53.09 1xcf s ALA 228 Cb 0.00 -3.41 1.00 0.00 0.00 0.00 0.00 23.12 20.71 1xcf s ALA 228 CO 0.00 -1.14 1.78 0.00 0.00 0.00 0.00 175.76 176.39 1xcf n ALA 229 N -1.74 2.11 0.00 0.00 0.00 0.80 -4.46 120.51 117.22 1xcf n ALA 229 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xcf n ALA 229 Cb 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.99 -1.01 3.00 0.00 0.00 -1.23 -1.27 105.19 105.67 1xcf n GLY 230 Ca 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 0.29 -0.14 4.61 0.00 -0.16 -1.38 121.76 123.98 1xcf s ALA 231 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1xcf s ALA 231 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1xcf s ALA 231 CO 0.00 -0.09 -0.21 0.42 0.00 0.00 0.00 175.76 175.88 1xcf s ILE 232 N -1.30 2.18 -0.04 0.00 1.01 -0.52 -0.73 121.20 121.81 1xcf s ILE 232 Ca -0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1xcf s ILE 232 Cb -0.09 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1xcf s ILE 232 CO -0.00 0.54 0.09 -0.55 0.00 0.00 0.00 174.94 175.02 1xcf s SER 233 N 0.78 -0.09 0.82 3.58 0.15 -0.76 -0.80 113.70 117.38 1xcf s SER 233 Ca -0.08 0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 1xcf s SER 233 Cb -0.16 0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.41 1xcf s SER 233 CO -0.01 -0.05 0.57 0.61 1.20 0.00 0.00 173.24 175.56 1xcf n GLY 234 N 3.25 -0.52 3.64 9.45 0.00 -0.46 -1.25 105.19 119.30 1xcf n GLY 234 Ca -0.15 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.17 -0.45 0.13 1.61 1.04 -1.12 -3.93 113.70 107.82 1xcf s SER 235 Ca 0.34 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.57 1xcf s SER 235 Cb -0.01 0.92 -0.09 0.00 0.10 0.00 0.00 66.02 66.93 1xcf s SER 235 CO 0.24 -0.14 1.31 0.00 0.98 0.00 0.00 173.24 175.62 1xcf h ALA 236 N 4.54 0.38 -0.48 5.32 0.00 -1.99 -3.27 119.26 123.76 1xcf h ALA 236 Ca -0.28 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 53.87 1xcf h ALA 236 Cb 1.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xcf h ALA 236 CO 0.13 0.84 0.14 0.82 0.00 0.00 0.00 179.25 181.17 1xcf h ILE 237 N 0.20 1.23 -0.88 0.00 1.08 -1.99 -1.79 117.51 115.36 1xcf h ILE 237 Ca -0.08 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1xcf h ILE 237 Cb 1.58 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 1xcf h ILE 237 CO 0.16 0.28 0.56 0.58 -0.69 0.00 0.00 178.15 179.05 1xcf h VAL 238 N 0.64 1.12 -0.65 1.67 2.07 -1.98 0.10 116.25 119.24 1xcf h VAL 238 Ca 0.15 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1xcf h VAL 238 Cb 0.29 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1xcf h VAL 238 CO -0.00 0.20 0.10 0.11 0.02 0.00 0.00 177.57 177.99 1xcf h LYS 239 N 1.08 1.07 -0.47 1.57 1.79 -1.56 0.17 116.57 120.22 1xcf h LYS 239 Ca 0.36 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1xcf h LYS 239 Cb 0.04 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1xcf h LYS 239 CO -0.13 0.98 0.01 0.82 -1.08 0.00 0.00 179.45 180.05 1xcf h ILE 240 N 1.00 1.26 -0.40 1.86 2.04 -0.56 -2.30 117.51 120.41 1xcf h ILE 240 Ca 0.20 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1xcf h ILE 240 Cb 0.44 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1xcf h ILE 240 CO 0.01 0.36 0.04 0.40 0.00 0.00 0.00 178.15 178.97 1xcf h ILE 241 N 0.68 1.25 -0.86 -0.67 2.04 -0.75 -2.83 117.51 116.36 1xcf h ILE 241 Ca 0.13 -0.92 0.19 0.00 1.00 0.00 0.00 64.86 65.25 1xcf h ILE 241 Cb 0.50 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.53 1xcf h ILE 241 CO 0.02 0.32 0.40 -0.08 0.00 0.00 0.00 178.15 178.80 1xcf h GLU 242 N 0.53 0.47 -6.64 2.37 4.81 -0.46 -2.70 114.58 112.96 1xcf h GLU 242 Ca 0.12 -0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.87 1xcf h GLU 242 Cb 0.41 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.71 1xcf h GLU 242 CO 0.01 0.31 -0.14 1.14 -0.73 0.00 0.00 179.01 179.61 1xcf s GLN 243 N -5.93 3.06 0.00 1.92 -2.07 -0.88 -4.44 119.66 111.31 1xcf s GLN 243 Ca -0.12 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 1xcf s GLN 243 Cb 0.23 -2.60 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 1xcf s GLN 243 CO 0.78 -0.23 0.00 0.72 -1.32 0.00 0.00 175.29 175.24 1xcf n HIS 244 N -2.01 0.00 -4.08 9.60 8.25 -1.26 -4.77 115.22 120.95 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 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 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 2.15 -0.25 1.59 1.01 -1.02 -4.96 121.20 119.71 1xcf s ILE 245 Ca 0.00 -1.43 0.18 0.00 0.00 0.00 0.00 60.65 59.40 1xcf s ILE 245 Cb 0.00 -2.16 -0.26 0.00 0.01 0.00 0.00 42.46 40.05 1xcf s ILE 245 CO 0.00 0.13 0.50 0.59 0.00 0.00 0.00 174.94 176.17 1xcf n ASN 246 N 4.49 0.80 -4.65 3.58 3.02 -1.26 -4.77 115.26 116.46 1xcf n ASN 246 Ca -0.16 -0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 1xcf n ASN 246 Cb 0.44 1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 41.20 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 -3.12 4.19 0.28 3.52 8.01 -1.26 -4.95 118.70 125.38 1xcf s GLU 247 Ca -0.03 1.27 0.02 0.00 0.01 0.00 0.00 54.97 56.24 1xcf s GLU 247 Cb 0.12 -3.67 0.65 0.00 -4.31 0.00 0.00 34.13 26.91 1xcf s GLU 247 CO 0.76 -0.72 1.73 -1.35 0.01 0.00 0.00 175.26 175.69 1xcf h PRO 248 N 7.68 0.51 -0.31 0.39 0.11 -1.99 0.19 132.00 138.58 1xcf h PRO 248 Ca -0.20 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 1xcf h PRO 248 Cb 1.06 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1xcf h PRO 248 CO 1.00 0.34 -0.12 0.93 -0.21 0.00 0.00 178.00 179.94 1xcf h GLU 249 N 0.52 0.62 -0.36 1.05 5.08 -1.99 -1.56 114.58 117.94 1xcf h GLU 249 Ca 0.52 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1xcf h GLU 249 Cb 0.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1xcf h GLU 249 CO -0.44 0.83 -0.29 0.87 -1.00 0.00 0.00 179.01 178.97 1xcf h LYS 250 N 0.39 0.77 -0.09 2.33 1.57 -1.78 -2.22 116.57 117.53 1xcf h LYS 250 Ca 0.07 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1xcf h LYS 250 Cb 0.63 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1xcf h LYS 250 CO 0.04 0.96 0.04 1.98 -0.57 0.00 0.00 179.45 181.90 1xcf h MET 251 N 0.65 0.14 -0.57 3.15 4.05 -0.60 -1.08 114.93 120.68 1xcf h MET 251 Ca 0.08 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1xcf h MET 251 Cb 0.82 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.56 1xcf h MET 251 CO 0.07 0.27 0.35 1.25 0.23 0.00 0.00 176.91 179.08 1xcf h LEU 252 N -0.01 0.58 -0.51 3.39 6.46 -1.22 0.15 115.31 124.14 1xcf h LEU 252 Ca 0.03 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1xcf h LEU 252 Cb 0.18 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1xcf h LEU 252 CO -0.00 0.41 0.22 0.00 -0.62 0.00 0.00 178.44 178.44 1xcf h ALA 253 N 1.24 0.67 -0.29 1.25 0.00 -1.29 -1.16 119.26 119.67 1xcf h ALA 253 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xcf h ALA 253 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xcf h ALA 253 CO -0.09 0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.55 1xcf h ALA 254 N 1.06 0.38 -0.45 0.00 0.00 -0.77 -3.15 119.26 116.33 1xcf h ALA 254 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1xcf h ALA 254 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xcf h ALA 254 CO -0.02 -0.03 -0.19 -0.07 0.00 0.00 0.00 179.25 178.94 1xcf h LEU 255 N 0.32 0.91 -1.39 0.00 3.38 -0.87 -3.06 115.31 114.61 1xcf h LEU 255 Ca 0.10 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1xcf h LEU 255 Cb 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1xcf h LEU 255 CO -0.01 1.08 0.50 0.11 0.09 0.00 0.00 178.44 180.21 1xcf h LYS 256 N 0.78 0.68 -0.67 1.13 1.57 -1.19 0.24 116.57 119.11 1xcf h LYS 256 Ca 0.11 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1xcf h LYS 256 Cb 0.74 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1xcf h LYS 256 CO 0.06 0.45 0.44 0.28 -0.57 0.00 0.00 179.45 180.11 1xcf h VAL 257 N 0.70 1.01 0.02 0.50 2.07 -1.49 -1.90 116.25 117.16 1xcf h VAL 257 Ca 0.35 -0.23 -0.37 0.00 0.82 0.00 0.00 66.70 67.26 1xcf h VAL 257 Cb 0.42 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1xcf h VAL 257 CO -0.13 0.12 -2.32 0.49 0.02 0.00 0.00 177.57 175.76 1xcf n PHE 258 N -4.48 0.28 -0.02 1.57 3.01 -0.40 -4.51 117.46 112.90 1xcf n PHE 258 Ca 0.10 0.07 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 1xcf n PHE 258 Cb 0.23 -1.04 -0.10 0.00 -0.01 0.00 0.00 39.48 38.56 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 1.42 -0.82 -4.37 2.07 -0.57 -3.28 116.25 110.70 1xcf h VAL 259 Ca -0.52 -1.85 0.12 0.00 0.82 0.00 0.00 66.70 65.27 1xcf h VAL 259 Cb 2.03 2.38 -0.08 0.00 -1.52 0.00 0.00 31.29 34.09 1xcf h VAL 259 CO -0.01 0.54 0.43 1.56 0.02 0.00 0.00 177.57 180.11 1xcf h GLN 260 N -0.08 0.64 -0.05 1.57 4.20 -1.54 -0.84 115.11 119.02 1xcf h GLN 260 Ca -0.04 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1xcf h GLN 260 Cb 1.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1xcf h GLN 260 CO 0.09 0.43 -0.47 -1.00 -0.67 0.00 0.00 178.83 177.20 1xcf h PRO 261 N 0.66 0.11 -0.19 1.46 0.13 -1.78 0.27 132.00 132.67 1xcf h PRO 261 Ca 0.43 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.47 1xcf h PRO 261 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1xcf h PRO 261 CO -0.32 0.56 0.01 0.52 -0.23 0.00 0.00 178.00 178.54 1xcf h MET 262 N 0.09 0.33 -0.07 0.86 2.86 -1.30 -2.22 114.93 115.48 1xcf h MET 262 Ca 0.00 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1xcf h MET 262 Cb 0.87 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1xcf h MET 262 CO 0.07 0.53 -0.36 -0.22 1.06 0.00 0.00 176.91 177.98 1xcf h LYS 263 N 0.10 0.14 0.00 1.72 1.63 -1.07 -2.25 116.57 116.84 1xcf h LYS 263 Ca 0.06 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1xcf h LYS 263 Cb 0.37 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1xcf h LYS 263 CO 0.01 0.49 -0.19 0.00 -3.45 0.00 0.00 179.45 176.31 1xcf h ALA 264 N 1.51 1.18 0.00 5.00 0.00 -0.72 -2.06 119.26 124.17 1xcf h ALA 264 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xcf h ALA 264 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xcf h ALA 264 CO 0.05 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1xcf n ALA 265 N -2.28 2.10 1.07 0.00 0.00 -0.85 -3.01 120.51 117.54 1xcf n ALA 265 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1xcf n ALA 265 Cb 0.33 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.79 0.00 1.49 0.00 -2.24 -0.77 -4.12 114.28 106.85 1xcf n THR 266 Ca 0.05 -0.09 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1xcf n THR 266 Cb 0.31 0.66 0.52 0.00 -2.10 0.00 0.00 70.33 69.73 1xcf n THR 266 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04