#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bua h LEU 3 N 0.00 0.12 0.21 1.04 5.85 -1.98 -0.03 115.31 120.52 1bua h LEU 3 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1bua h LEU 3 Cb 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1bua h LEU 3 CO 0.00 0.10 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.94 1bua h ARG 4 N 0.26 -0.38 -0.54 1.25 2.43 -1.99 0.23 114.38 115.64 1bua h ARG 4 Ca 0.16 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1bua h ARG 4 Cb 0.14 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1bua h ARG 4 CO -0.17 -0.25 0.33 0.66 -1.51 0.00 0.00 179.97 179.02 1bua h SER 5 N -0.40 0.65 -0.52 -3.80 4.64 -1.96 0.64 113.55 112.80 1bua h SER 5 Ca -0.01 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1bua h SER 5 Cb 0.36 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1bua h SER 5 CO -0.02 0.51 0.22 0.44 -0.87 0.00 0.00 176.83 177.11 1bua h ASP 6 N 0.72 0.71 -0.06 4.97 3.32 -0.73 -0.55 116.42 124.81 1bua h ASP 6 Ca 0.19 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1bua h ASP 6 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1bua h ASP 6 CO -0.04 0.68 0.02 0.25 -1.72 0.00 0.00 179.24 178.44 1bua h LEU 7 N 0.70 0.03 -0.25 1.55 6.46 -0.18 -1.13 115.31 122.49 1bua h LEU 7 Ca 0.17 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1bua h LEU 7 Cb 0.18 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1bua h LEU 7 CO -0.02 0.03 0.04 0.40 -0.62 0.00 0.00 178.44 178.28 1bua h ILE 8 N 0.06 0.87 -0.43 4.05 2.04 -0.70 -1.37 117.51 122.03 1bua h ILE 8 Ca 0.03 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1bua h ILE 8 Cb 0.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1bua h ILE 8 CO -0.02 0.03 0.19 0.78 0.00 0.00 0.00 178.15 179.12 1bua h ASN 9 N 0.14 0.58 -0.20 1.72 2.35 -0.95 -0.73 115.58 118.48 1bua h ASN 9 Ca 0.12 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1bua h ASN 9 Cb 0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1bua h ASN 9 CO -0.16 0.56 0.11 0.00 -1.65 0.00 0.00 177.43 176.30 1bua h ALA 10 N 1.04 0.25 -0.57 -0.83 0.00 -1.06 0.82 119.26 118.91 1bua h ALA 10 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bua h ALA 10 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bua h ALA 10 CO -0.02 -0.23 0.26 -0.07 0.00 0.00 0.00 179.25 179.20 1bua h LEU 11 N 0.22 0.76 -0.59 0.00 3.38 -1.20 0.12 115.31 118.00 1bua h LEU 11 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1bua h LEU 11 Cb 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1bua h LEU 11 CO -0.01 0.69 0.34 0.22 0.09 0.00 0.00 178.44 179.77 1bua h TYR 12 N 0.78 0.79 0.73 1.13 3.20 -1.00 -1.63 116.97 120.96 1bua h TYR 12 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1bua h TYR 12 Cb 0.14 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.16 1bua h TYR 12 CO 0.00 0.56 -0.35 0.22 -1.64 0.00 0.00 178.16 176.95 1bua h ASP 13 N 0.80 -0.82 -1.00 -2.11 3.58 -0.32 -2.80 116.42 113.74 1bua h ASP 13 Ca 0.21 0.03 0.19 0.00 0.42 0.00 0.00 57.03 57.88 1bua h ASP 13 Cb 0.01 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.17 1bua h ASP 13 CO -0.04 -0.46 0.61 -0.33 -2.88 0.00 0.00 179.24 176.14 1bua h GLU 14 N -1.23 0.72 0.00 0.28 4.39 -0.80 0.24 114.58 118.18 1bua h GLU 14 Ca -0.10 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1bua h GLU 14 Cb 0.75 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1bua h GLU 14 CO 0.16 0.48 -0.27 -0.97 -1.16 0.00 0.00 179.01 177.25 1bua h ASN 15 N 0.74 0.00 0.03 1.42 -1.24 -1.32 -2.04 115.58 113.16 1bua h ASN 15 Ca 0.57 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.40 1bua h ASN 15 Cb 0.92 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.98 1bua h ASN 15 CO -0.36 0.27 -0.71 1.56 -1.29 0.00 0.00 177.43 176.90 1bua h GLN 16 N 0.00 0.43 -0.94 6.67 1.08 -0.29 -3.34 115.11 118.72 1bua h GLN 16 Ca -0.00 -0.50 -0.35 0.00 -1.45 0.00 0.00 58.65 56.35 1bua h GLN 16 Cb 0.67 0.15 -0.21 0.00 -0.05 0.00 0.00 27.48 28.05 1bua h GLN 16 CO 0.03 1.16 0.44 1.63 -0.95 0.00 0.00 178.83 181.15 1bua n LYS 17 N -4.15 2.36 -3.58 1.46 4.76 -0.59 -4.95 118.16 113.48 1bua n LYS 17 Ca -0.11 -2.44 -0.16 0.00 -2.87 0.00 0.00 58.31 52.72 1bua n LYS 17 Cb 0.73 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 1bua n LYS 17 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1bua s TYR 18 N -2.62 -0.53 -0.11 2.13 -0.85 -0.79 -5.01 117.35 109.58 1bua s TYR 18 Ca 0.46 0.85 -0.05 0.00 -0.52 0.00 0.00 57.07 57.81 1bua s TYR 18 Cb 0.38 0.34 0.05 0.00 0.38 0.00 0.00 41.96 43.11 1bua s TYR 18 CO 0.10 -0.57 0.25 -0.51 -1.52 0.00 0.00 175.55 173.30 1bua s ASP 19 N -1.33 -0.07 0.01 -0.18 1.11 -1.26 -4.79 116.67 110.16 1bua s ASP 19 Ca -0.11 0.55 -0.27 0.00 0.18 0.00 0.00 52.55 52.91 1bua s ASP 19 Cb -0.01 0.51 -0.04 0.00 1.07 0.00 0.00 42.92 44.44 1bua s ASP 19 CO 0.07 -0.19 0.85 -0.69 1.18 0.00 0.00 175.17 176.40 1bua s VAL 20 N 1.64 4.82 -0.18 -1.27 1.01 -1.26 -4.97 120.40 120.18 1bua s VAL 20 Ca -0.06 1.80 0.17 0.00 0.00 0.00 0.00 61.98 63.89 1bua s VAL 20 Cb -0.11 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 1bua s VAL 20 CO -0.09 0.26 0.13 0.00 0.00 0.00 0.00 175.10 175.41 1bua n GLY 22 N 1.74 -1.34 3.92 0.00 0.00 -1.26 -4.11 105.19 104.14 1bua n GLY 22 Ca -0.31 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1bua n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bua s ILE 23 N -3.00 5.34 0.00 -0.61 -4.36 0.44 -4.89 121.20 114.12 1bua s ILE 23 Ca 0.00 -0.40 0.06 0.00 -0.26 0.00 0.00 60.65 60.05 1bua s ILE 23 Cb 0.00 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.03 1bua s ILE 23 CO 0.00 0.06 -0.19 -0.51 0.24 0.00 0.00 174.94 174.55 1bua s ILE 24 N -1.60 1.47 0.38 8.37 2.07 -1.26 -0.17 121.20 130.47 1bua s ILE 24 Ca 0.36 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.72 1bua s ILE 24 Cb -0.12 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 1bua s ILE 24 CO 0.28 0.34 0.59 -0.94 -1.91 0.00 0.00 174.94 173.30 1bua s SER 25 N -0.64 6.14 0.40 4.50 1.04 -0.37 -4.97 113.70 119.79 1bua s SER 25 Ca 0.07 0.39 0.28 0.00 0.48 0.00 0.00 55.95 57.17 1bua s SER 25 Cb -0.07 -1.85 1.36 0.00 0.10 0.00 0.00 66.02 65.56 1bua s SER 25 CO -0.00 -0.44 1.85 0.00 0.98 0.00 0.00 173.24 175.63 1bua h ALA 26 N 0.63 1.00 -0.53 5.32 0.00 -2.01 0.16 119.26 123.83 1bua h ALA 26 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bua h ALA 26 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bua h ALA 26 CO 0.60 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.00 1bua n GLU 27 N -2.52 2.54 -0.99 0.00 -0.00 -1.26 -4.94 120.64 113.46 1bua n GLU 27 Ca -0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 57.16 55.12 1bua n GLU 27 Cb 0.14 -1.53 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 1bua n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bua n GLY 28 N 1.22 0.52 3.76 -1.84 0.00 0.57 -5.02 105.19 104.39 1bua n GLY 28 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1bua n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bua s LYS 29 N -0.19 4.57 -0.08 1.61 0.00 -1.26 -4.10 119.74 120.30 1bua s LYS 29 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 55.97 57.15 1bua s LYS 29 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 37.83 34.48 1bua s LYS 29 CO 0.00 0.40 -0.08 0.42 0.00 0.00 0.00 175.35 176.08 1bua s ILE 30 N -0.53 3.56 -0.15 3.79 1.01 0.54 -1.24 121.20 128.18 1bua s ILE 30 Ca 0.39 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1bua s ILE 30 Cb -0.22 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1bua s ILE 30 CO 0.26 0.58 -0.12 -0.31 0.00 0.00 0.00 174.94 175.35 1bua s TYR 31 N -0.58 2.84 0.87 3.97 1.51 0.77 -0.20 117.35 126.53 1bua s TYR 31 Ca 0.09 -0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 55.34 1bua s TYR 31 Cb -0.12 -1.89 0.11 0.00 -0.11 0.00 0.00 41.96 39.96 1bua s TYR 31 CO 0.02 -0.27 1.11 -2.14 -1.11 0.00 0.00 175.55 173.16 1bua s PRO 32 N 0.54 1.46 0.38 -1.71 0.02 -1.26 -0.42 135.00 134.00 1bua s PRO 32 Ca -0.08 1.26 -0.06 0.00 0.02 0.00 0.00 61.00 62.14 1bua s PRO 32 Cb -0.15 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1bua s PRO 32 CO 0.04 -2.23 0.67 -0.51 -0.33 0.00 0.00 177.00 174.64 1bua s LEU 33 N -6.30 3.88 0.52 -5.54 1.43 -1.26 -4.76 118.68 106.66 1bua s LEU 33 Ca 0.64 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 1bua s LEU 33 Cb -0.20 -3.74 0.06 0.00 0.03 0.00 0.00 46.19 42.33 1bua s LEU 33 CO 0.57 -0.36 0.66 -0.83 0.23 0.00 0.00 176.35 176.63 1bua s GLY 34 N -3.46 1.89 0.29 -3.19 0.00 -1.26 -4.67 107.32 96.91 1bua s GLY 34 Ca 0.47 -1.91 0.22 0.00 0.00 0.00 0.00 44.72 43.49 1bua s GLY 34 CO 0.34 -1.68 1.28 1.48 0.00 0.00 0.00 173.10 174.53 1bua h SER 35 N 0.42 0.00 -2.24 1.64 4.64 -1.94 -3.45 113.55 112.62 1bua h SER 35 Ca -0.34 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.40 1bua h SER 35 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1bua h SER 35 CO 0.45 0.07 1.01 0.47 -0.87 0.00 0.00 176.83 177.96 1bua n ASP 36 N -2.90 3.52 0.06 4.97 9.92 -1.26 -4.81 116.55 126.05 1bua n ASP 36 Ca 0.01 1.01 0.21 0.00 -0.53 0.00 0.00 54.79 55.49 1bua n ASP 36 Cb 0.57 -1.44 0.74 0.00 -0.64 0.00 0.00 41.12 40.35 1bua n ASP 36 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bua h THR 37 N 4.67 0.40 -0.67 -3.53 1.35 -1.99 1.07 112.91 114.21 1bua h THR 37 Ca -0.47 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.45 1bua h THR 37 Cb 1.25 0.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1bua h THR 37 CO 0.93 0.00 0.44 0.50 -0.25 0.00 0.00 175.52 177.14 1bua h LYS 38 N 0.00 0.69 0.11 4.72 3.11 -1.98 0.12 116.57 123.35 1bua h LYS 38 Ca 0.22 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 1bua h LYS 38 Cb 1.14 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1bua h LYS 38 CO -0.00 0.46 -0.05 0.28 -2.81 0.00 0.00 179.45 177.32 1bua h VAL 39 N 0.71 1.09 -0.91 2.00 2.07 0.86 -3.27 116.25 118.80 1bua h VAL 39 Ca 0.28 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1bua h VAL 39 Cb 0.21 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1bua h VAL 39 CO -0.09 0.26 0.60 -0.07 0.02 0.00 0.00 177.57 178.29 1bua h LEU 40 N -0.71 1.04 -0.46 2.57 4.07 -1.14 -1.06 115.31 119.64 1bua h LEU 40 Ca -0.02 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.99 1bua h LEU 40 Cb 0.53 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.95 1bua h LEU 40 CO 0.02 0.75 0.10 0.28 -1.08 0.00 0.00 178.44 178.51 1bua h SER 41 N 1.23 0.01 -0.15 -0.43 0.02 -0.91 0.26 113.55 113.58 1bua h SER 41 Ca 0.33 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1bua h SER 41 Cb -0.14 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1bua h SER 41 CO -0.07 0.04 0.08 0.74 -1.14 0.00 0.00 176.83 176.47 1bua h THR 42 N 0.23 1.01 -0.54 -2.27 2.02 -1.43 -0.90 112.91 111.03 1bua h THR 42 Ca 0.23 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1bua h THR 42 Cb 0.29 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1bua h THR 42 CO -0.29 0.03 0.35 0.40 0.37 0.00 0.00 175.52 176.38 1bua h ILE 43 N 0.17 1.12 0.00 3.11 5.03 -0.31 -1.80 117.51 124.82 1bua h ILE 43 Ca 0.06 -0.24 -0.08 0.00 -0.12 0.00 0.00 64.86 64.48 1bua h ILE 43 Cb 0.00 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 34.13 1bua h ILE 43 CO -0.03 0.13 -0.36 -0.26 -0.68 0.00 0.00 178.15 176.94 1bua h PHE 44 N 0.71 0.00 -0.11 1.37 0.04 -0.29 -1.30 116.94 117.35 1bua h PHE 44 Ca 0.20 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.85 1bua h PHE 44 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1bua h PHE 44 CO -0.04 0.36 -0.41 0.93 -0.60 0.00 0.00 178.31 178.55 1bua h GLU 45 N 0.00 0.48 -0.45 1.51 3.07 -0.83 -2.57 114.58 115.79 1bua h GLU 45 Ca -0.00 -0.36 -0.09 0.00 -0.50 0.00 0.00 59.36 58.40 1bua h GLU 45 Cb 0.84 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 1bua h GLU 45 CO 0.05 0.99 -0.08 -0.07 -1.40 0.00 0.00 179.01 178.49 1bua h LEU 46 N 0.07 0.78 -1.09 1.33 3.38 -1.15 -2.57 115.31 116.06 1bua h LEU 46 Ca -0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1bua h LEU 46 Cb 1.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1bua h LEU 46 CO 0.09 0.90 -0.18 0.15 0.09 0.00 0.00 178.44 179.49 1bua h PHE 47 N 0.73 0.47 0.05 1.13 3.57 -1.29 -3.25 116.94 118.34 1bua h PHE 47 Ca 0.13 -0.08 -0.23 0.00 3.53 0.00 0.00 57.97 61.32 1bua h PHE 47 Cb 0.56 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1bua h PHE 47 CO 0.03 0.59 -1.05 0.77 -2.23 0.00 0.00 178.31 176.42 1bua h SER 48 N 0.39 0.21 -0.66 0.41 0.02 -1.19 -3.41 113.55 109.32 1bua h SER 48 Ca 0.07 -0.21 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1bua h SER 48 Cb 0.54 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.92 1bua h SER 48 CO 0.04 1.12 -0.57 0.03 -1.14 0.00 0.00 176.83 176.31 1bua h ARG 49 N 0.05 -0.22 -0.38 3.45 3.08 -1.50 -1.60 114.38 117.27 1bua h ARG 49 Ca -0.06 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1bua h ARG 49 Cb 1.77 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 1bua h ARG 49 CO 0.16 -0.15 0.11 -1.00 -1.07 0.00 0.00 179.97 178.02 1bua h PRO 50 N -0.23 0.55 0.08 0.04 0.13 -1.78 -2.13 132.00 128.66 1bua h PRO 50 Ca 0.11 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1bua h PRO 50 Cb 0.52 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1bua h PRO 50 CO -0.74 0.49 -0.04 0.82 -0.23 0.00 0.00 178.00 178.30 1bua h ILE 51 N 0.54 1.06 -0.51 -3.56 2.04 -1.68 -0.79 117.51 114.61 1bua h ILE 51 Ca 0.13 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1bua h ILE 51 Cb 0.18 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1bua h ILE 51 CO -0.01 0.13 0.23 0.40 0.00 0.00 0.00 178.15 178.90 1bua h ILE 52 N -0.34 0.91 -0.73 -0.67 2.04 -1.21 -2.15 117.51 115.36 1bua h ILE 52 Ca -0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1bua h ILE 52 Cb 0.29 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1bua h ILE 52 CO 0.02 0.08 0.43 -1.13 0.00 0.00 0.00 178.15 177.55 1bua h ASN 53 N 0.45 0.89 0.40 1.72 -1.24 -1.22 -0.43 115.58 116.15 1bua h ASN 53 Ca 0.23 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1bua h ASN 53 Cb 0.18 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1bua h ASN 53 CO -0.19 0.70 -0.19 0.11 -1.29 0.00 0.00 177.43 176.57 1bua h LYS 54 N 1.00 -0.52 -0.95 6.67 6.56 -0.78 -1.30 116.57 127.24 1bua h LYS 54 Ca 0.26 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.94 1bua h LYS 54 Cb -0.01 0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 31.71 1bua h LYS 54 CO -0.05 -0.24 0.61 0.82 -2.06 0.00 0.00 179.45 178.54 1bua h ILE 55 N -0.78 1.10 0.22 1.86 1.08 -1.34 -1.55 117.51 118.11 1bua h ILE 55 Ca -0.06 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1bua h ILE 55 Cb 0.53 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1bua h ILE 55 CO 0.09 0.21 -0.10 0.00 -0.69 0.00 0.00 178.15 177.65 1bua h ALA 56 N 1.42 -0.29 -0.96 1.87 0.00 -1.03 -2.66 119.26 117.61 1bua h ALA 56 Ca 0.40 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1bua h ALA 56 Cb 0.11 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1bua h ALA 56 CO -0.15 -0.61 0.59 1.05 0.00 0.00 0.00 179.25 180.13 1bua h GLU 57 N -0.40 0.96 -0.49 0.00 -0.00 -0.89 -0.57 114.58 113.19 1bua h GLU 57 Ca -0.03 -0.06 0.07 0.00 -0.00 0.00 0.00 59.36 59.34 1bua h GLU 57 Cb 0.31 -0.22 -0.06 0.00 -0.00 0.00 0.00 28.75 28.79 1bua h GLU 57 CO 0.05 0.63 0.17 -0.22 -0.00 0.00 0.00 179.01 179.64 1bua h LYS 58 N 0.98 0.33 -0.60 1.06 3.64 -1.12 -2.08 116.57 118.79 1bua h LYS 58 Ca 0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1bua h LYS 58 Cb 0.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1bua h LYS 58 CO -0.24 0.22 0.00 0.72 -2.27 0.00 0.00 179.45 177.88 1bua n HIS 59 N -5.02 0.49 -1.16 1.91 8.25 -0.33 -4.89 115.22 114.47 1bua n HIS 59 Ca 0.05 -0.19 -0.06 0.00 -0.26 0.00 0.00 57.72 57.26 1bua n HIS 59 Cb 0.20 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1bua n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bua n GLY 60 N 0.47 0.81 3.87 -1.41 0.00 -0.78 -5.02 105.19 103.13 1bua n GLY 60 Ca 0.08 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1bua n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bua s TYR 61 N -2.17 3.62 0.16 1.61 1.51 -0.54 -4.51 117.35 117.03 1bua s TYR 61 Ca 0.00 0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 56.59 1bua s TYR 61 Cb 0.00 -2.05 -0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1bua s TYR 61 CO 0.00 0.67 0.54 0.42 -1.11 0.00 0.00 175.55 176.07 1bua s ILE 62 N -1.14 4.88 -0.07 2.71 1.01 0.41 -3.87 121.20 125.13 1bua s ILE 62 Ca 0.22 0.74 0.05 0.00 0.00 0.00 0.00 60.65 61.65 1bua s ILE 62 Cb -0.14 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1bua s ILE 62 CO 0.11 0.17 -0.23 0.68 0.00 0.00 0.00 174.94 175.67 1bua s VAL 63 N -1.54 1.92 -0.04 2.92 -7.23 -1.26 -2.39 120.40 112.78 1bua s VAL 63 Ca 0.40 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1bua s VAL 63 Cb -0.14 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1bua s VAL 63 CO 0.19 0.53 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.83 1bua s GLU 64 N 0.08 1.00 0.23 4.82 2.02 -0.26 -4.96 118.70 121.64 1bua s GLU 64 Ca -0.10 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1bua s GLU 64 Cb -0.15 -0.93 -0.03 0.00 0.10 0.00 0.00 34.13 33.12 1bua s GLU 64 CO 0.05 0.03 0.37 -1.21 0.02 0.00 0.00 175.26 174.53 1bua s GLU 65 N 0.49 3.46 0.00 1.61 2.02 -1.26 -0.38 118.70 124.64 1bua s GLU 65 Ca -0.08 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1bua s GLU 65 Cb -0.11 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1bua s GLU 65 CO 0.01 0.41 0.00 -2.30 0.02 0.00 0.00 175.26 173.40 1bua n PRO 66 N -1.19 -0.60 0.00 0.39 -0.02 -1.26 -4.99 135.00 127.34 1bua n PRO 66 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1bua n PRO 66 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1bua n PRO 66 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1bua n GLN 68 N -1.17 0.00 -2.48 -0.52 7.27 -1.26 -5.10 117.38 114.11 1bua n GLN 68 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1bua n GLN 68 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1bua n GLN 68 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1bua s GLN 69 N -0.67 3.91 -0.92 3.69 -1.52 -1.26 -3.56 119.66 119.34 1bua s GLN 69 Ca 0.00 1.50 0.00 0.00 -1.95 0.00 0.00 55.36 54.91 1bua s GLN 69 Cb 0.00 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.47 1bua s GLN 69 CO 0.00 -0.36 0.00 0.09 -0.25 0.00 0.00 175.29 174.77 1bua n ASN 70 N -0.55 -3.85 -4.27 5.90 3.02 -1.26 -5.02 115.26 109.23 1bua n ASN 70 Ca 0.07 0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 1bua n ASN 70 Cb 0.51 -2.40 -0.16 0.00 -0.61 0.00 0.00 39.78 37.11 1bua n ASN 70 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1bua s HIS 71 N -2.37 2.54 0.28 3.10 3.76 -1.23 -4.75 115.29 116.62 1bua s HIS 71 Ca 0.00 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 53.97 1bua s HIS 71 Cb 0.00 -1.67 -0.08 0.00 1.11 0.00 0.00 32.58 31.94 1bua s HIS 71 CO 0.00 -0.27 0.67 -0.47 -0.85 0.00 0.00 174.74 173.82 1bua s TYR 72 N 0.05 3.40 0.45 1.40 6.14 -0.29 -4.65 117.35 123.86 1bua s TYR 72 Ca -0.09 1.10 0.08 0.00 0.64 0.00 0.00 57.07 58.80 1bua s TYR 72 Cb -0.15 -2.44 0.01 0.00 0.42 0.00 0.00 41.96 39.80 1bua s TYR 72 CO 0.06 0.17 0.53 -1.25 0.64 0.00 0.00 175.55 175.69 1bua s PRO 73 N -2.87 2.60 0.21 4.97 0.04 -1.26 -0.40 135.00 138.30 1bua s PRO 73 Ca 0.51 -1.46 -0.09 0.00 0.04 0.00 0.00 61.00 60.00 1bua s PRO 73 Cb -0.11 -2.56 0.22 0.00 0.04 0.00 0.00 34.50 32.09 1bua s PRO 73 CO 0.19 -0.36 1.85 -0.44 0.04 0.00 0.00 177.00 178.27 1bua h ASP 74 N 0.71 0.73 -3.46 6.66 3.32 -1.75 -3.37 116.42 119.25 1bua h ASP 74 Ca -0.39 0.01 -0.38 0.00 0.02 0.00 0.00 57.03 56.29 1bua h ASP 74 Cb 1.28 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 40.34 1bua h ASP 74 CO 0.49 0.50 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.39 1bua s PHE 75 N -6.10 0.53 -0.19 4.55 0.08 -0.68 -4.10 117.98 112.06 1bua s PHE 75 Ca -0.13 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.78 1bua s PHE 75 Cb 0.16 -0.55 -0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1bua s PHE 75 CO 0.77 -0.17 -0.05 0.99 -0.10 0.00 0.00 175.22 176.67 1bua s THR 76 N 1.05 3.54 -0.02 0.64 2.01 0.49 -1.22 115.64 122.13 1bua s THR 76 Ca -0.09 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1bua s THR 76 Cb -0.14 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1bua s THR 76 CO -0.01 0.45 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.43 1bua s LEU 77 N 1.01 2.54 -0.12 4.42 1.02 0.81 -1.10 118.68 127.26 1bua s LEU 77 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 54.13 53.53 1bua s LEU 77 Cb -0.15 -1.49 0.12 0.00 0.02 0.00 0.00 46.19 44.69 1bua s LEU 77 CO 0.00 0.32 1.00 -0.72 0.02 0.00 0.00 176.35 176.97 1bua s TYR 78 N -0.76 -0.32 0.06 0.29 1.13 -1.01 0.18 117.35 116.93 1bua s TYR 78 Ca 0.12 0.42 -0.18 0.00 -1.41 0.00 0.00 57.07 56.03 1bua s TYR 78 Cb -0.10 0.48 -0.06 0.00 -1.10 0.00 0.00 41.96 41.18 1bua s TYR 78 CO 0.01 -0.37 0.53 0.15 -2.51 0.00 0.00 175.55 173.36 1bua s LYS 79 N -1.85 4.12 0.38 -3.49 1.02 -1.26 -0.45 119.74 118.22 1bua s LYS 79 Ca 0.02 0.65 0.14 0.00 0.02 0.00 0.00 55.97 56.80 1bua s LYS 79 Cb -0.01 -3.21 0.98 0.00 -0.52 0.00 0.00 37.83 35.07 1bua s LYS 79 CO -0.03 0.64 1.84 -1.35 -0.92 0.00 0.00 175.35 175.53 1bua h PRO 80 N 4.49 0.51 0.00 -1.68 0.11 -1.98 -1.38 132.00 132.07 1bua h PRO 80 Ca -0.50 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1bua h PRO 80 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1bua h PRO 80 CO 0.63 0.33 -0.29 0.66 -0.21 0.00 0.00 178.00 179.12 1bua h SER 81 N 0.52 0.00 -2.22 -2.05 4.64 -1.95 -3.36 113.55 109.13 1bua h SER 81 Ca 0.50 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.23 1bua h SER 81 Cb 1.07 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.76 1bua h SER 81 CO -0.23 0.29 -0.82 -0.62 -0.87 0.00 0.00 176.83 174.58 1bua n GLU 82 N -3.43 1.58 -0.12 4.77 1.02 -0.52 -4.94 120.64 118.99 1bua n GLU 82 Ca 0.00 -3.98 -0.03 0.00 -0.02 0.00 0.00 57.16 53.14 1bua n GLU 82 Cb 0.48 -1.81 0.20 0.00 -0.02 0.00 0.00 31.44 30.29 1bua n GLU 82 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1bua h PRO 83 N 4.34 0.81 0.00 3.49 0.11 -1.71 -2.75 132.00 136.29 1bua h PRO 83 Ca 0.15 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1bua h PRO 83 Cb 0.77 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1bua h PRO 83 CO 0.64 0.73 0.00 0.27 -0.21 0.00 0.00 178.00 179.44 1bua n ASN 84 N -4.28 0.00 -3.04 -2.05 6.94 -1.26 -3.80 115.26 107.76 1bua n ASN 84 Ca 0.04 -0.70 -0.25 0.00 -0.02 0.00 0.00 54.58 53.65 1bua n ASN 84 Cb 0.22 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1bua n ASN 84 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1bua n LYS 85 N -0.85 2.58 -2.46 -3.83 5.02 -1.04 -4.58 118.16 113.00 1bua n LYS 85 Ca 0.09 -4.45 -0.32 0.00 -2.02 0.00 0.00 58.31 51.61 1bua n LYS 85 Cb 0.04 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 32.93 1bua n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bua s LYS 86 N -3.09 3.93 -0.13 1.97 1.02 0.04 -4.73 119.74 118.75 1bua s LYS 86 Ca 0.46 0.90 0.02 0.00 0.02 0.00 0.00 55.97 57.37 1bua s LYS 86 Cb 0.28 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1bua s LYS 86 CO -0.12 -0.24 -0.20 0.42 -0.92 0.00 0.00 175.35 174.30 1bua s ILE 87 N -2.58 2.32 -0.18 2.17 1.01 0.13 -0.47 121.20 123.59 1bua s ILE 87 Ca 0.58 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1bua s ILE 87 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1bua s ILE 87 CO 0.31 0.54 0.02 0.00 0.00 0.00 0.00 174.94 175.81 1bua s ALA 88 N 0.64 3.19 -0.06 9.38 0.00 -0.37 -0.13 121.76 134.41 1bua s ALA 88 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1bua s ALA 88 Cb -0.16 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 1bua s ALA 88 CO 0.02 0.09 -0.23 0.42 0.00 0.00 0.00 175.76 176.06 1bua s ILE 89 N 0.56 1.90 -0.03 0.00 1.01 -0.36 0.00 121.20 124.28 1bua s ILE 89 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1bua s ILE 89 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1bua s ILE 89 CO 0.02 0.53 -0.10 -0.62 0.00 0.00 0.00 174.94 174.77 1bua s ASP 90 N -0.06 1.34 -0.19 3.58 2.15 -0.56 -1.69 116.67 121.24 1bua s ASP 90 Ca -0.05 -0.21 -0.15 0.00 0.43 0.00 0.00 52.55 52.57 1bua s ASP 90 Cb -0.14 -0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.05 1bua s ASP 90 CO 0.04 0.07 0.36 -0.63 -0.17 0.00 0.00 175.17 174.84 1bua s ILE 91 N 0.23 5.24 0.01 4.11 1.01 -1.26 -1.26 121.20 129.28 1bua s ILE 91 Ca -0.04 0.64 0.07 0.00 0.00 0.00 0.00 60.65 61.32 1bua s ILE 91 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1bua s ILE 91 CO 0.01 0.29 -0.21 -0.54 0.00 0.00 0.00 174.94 174.49 1bua s LYS 92 N 1.07 1.59 0.07 2.79 -0.14 -0.12 -4.96 119.74 120.04 1bua s LYS 92 Ca 0.18 -0.86 0.06 0.00 -1.36 0.00 0.00 55.97 53.99 1bua s LYS 92 Cb -0.14 -1.62 -0.03 0.00 -1.68 0.00 0.00 37.83 34.36 1bua s LYS 92 CO 0.07 0.43 -0.16 0.99 -0.76 0.00 0.00 175.35 175.92 1bua s THR 93 N -0.64 1.25 0.29 2.17 2.01 -1.26 -0.64 115.64 118.81 1bua s THR 93 Ca 0.08 -1.32 -0.14 0.00 0.31 0.00 0.00 61.69 60.62 1bua s THR 93 Cb -0.09 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1bua s THR 93 CO 0.00 -0.16 0.60 0.28 -0.69 0.00 0.00 174.62 174.66 1bua s THR 94 N -1.20 0.00 0.26 -0.82 -1.32 -0.83 -4.90 115.64 106.83 1bua s THR 94 Ca 0.00 -1.25 0.02 0.00 -1.21 0.00 0.00 61.69 59.26 1bua s THR 94 Cb -0.10 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1bua s THR 94 CO 0.03 0.00 0.05 -0.72 -2.21 0.00 0.00 174.62 171.77 1bua s TYR 95 N -3.56 1.61 0.00 9.09 1.13 -1.26 -2.52 117.35 121.85 1bua s TYR 95 Ca 0.19 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1bua s TYR 95 Cb -0.03 -0.97 0.00 0.00 -1.10 0.00 0.00 41.96 39.86 1bua s TYR 95 CO 0.10 -0.17 0.00 0.25 -2.51 0.00 0.00 175.55 173.23 1bua n THR 96 N -0.48 0.00 0.00 -3.49 -2.24 0.24 -4.88 114.28 103.43 1bua n THR 96 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1bua n THR 96 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1bua n THR 96 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1bua n GLU 101 N 0.00 0.00 -2.49 -0.78 0.28 -1.26 -1.78 120.64 114.61 1bua n GLU 101 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1bua n GLU 101 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1bua n GLU 101 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1bua s LYS 102 N -5.04 3.83 0.29 3.44 -0.14 -1.26 -4.66 119.74 116.20 1bua s LYS 102 Ca 0.00 1.46 0.04 0.00 -1.36 0.00 0.00 55.97 56.11 1bua s LYS 102 Cb 0.00 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.88 1bua s LYS 102 CO 0.00 -0.42 0.03 0.96 -0.76 0.00 0.00 175.35 175.16 1bua s ILE 103 N -1.85 1.16 0.00 2.17 -4.36 0.15 -4.88 121.20 113.59 1bua s ILE 103 Ca 0.65 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 1bua s ILE 103 Cb -0.19 -2.62 0.04 0.00 1.25 0.00 0.00 42.46 40.94 1bua s ILE 103 CO 0.24 -0.12 0.45 -0.54 0.24 0.00 0.00 174.94 175.21 1bua s LYS 104 N -3.87 0.88 0.17 0.37 3.01 -1.26 -1.78 119.74 117.25 1bua s LYS 104 Ca 0.34 -0.13 0.07 0.00 -1.01 0.00 0.00 55.97 55.23 1bua s LYS 104 Cb 0.07 0.40 -0.04 0.00 -1.01 0.00 0.00 37.83 37.25 1bua s LYS 104 CO 0.13 -0.28 -0.14 -0.06 0.51 0.00 0.00 175.35 175.51 1bua s PHE 105 N -1.75 1.56 -0.24 3.18 0.40 -1.26 -4.86 117.98 115.02 1bua s PHE 105 Ca -0.10 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.53 1bua s PHE 105 Cb -0.02 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 1bua s PHE 105 CO 0.03 0.25 0.19 0.95 0.70 0.00 0.00 175.22 177.34 1bua s THR 106 N -2.74 5.34 -0.35 0.64 -4.23 -1.26 -1.44 115.64 111.60 1bua s THR 106 Ca 0.17 0.25 0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1bua s THR 106 Cb -0.02 -3.53 0.73 0.00 1.34 0.00 0.00 72.50 71.02 1bua s THR 106 CO 0.05 0.33 1.80 0.18 -0.54 0.00 0.00 174.62 176.43 1bua n LEU 107 N 4.36 6.10 0.00 4.79 4.77 0.94 -4.96 117.00 133.01 1bua n LEU 107 Ca -0.14 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 1bua n LEU 107 Cb 0.52 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1bua n LEU 107 CO 0.36 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1bua n GLY 108 N -0.21 1.80 3.77 -0.72 0.00 -1.26 -4.72 105.19 103.85 1bua n GLY 108 Ca 0.42 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1bua n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bua s GLY 109 N -0.19 2.51 0.00 -0.02 0.00 -1.26 0.07 107.32 108.44 1bua s GLY 109 Ca 0.00 0.78 0.15 0.00 0.00 0.00 0.00 44.72 45.64 1bua s GLY 109 CO 0.00 1.14 1.20 1.58 0.00 0.00 0.00 173.10 177.02 1bua n TYR 110 N -1.66 0.38 0.31 1.90 0.18 -0.40 -4.50 117.16 113.37 1bua n TYR 110 Ca 0.12 -0.30 0.04 0.00 1.88 0.00 0.00 57.90 59.64 1bua n TYR 110 Cb 0.51 -0.01 0.04 0.00 -0.38 0.00 0.00 39.34 39.50 1bua n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1bua n THR 111 N 0.88 0.08 0.00 -3.48 -2.24 -1.26 -4.62 114.28 103.64 1bua n THR 111 Ca 0.13 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1bua n THR 111 Cb 0.45 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1bua n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bua n SER 112 N 0.45 0.00 0.10 3.42 3.41 -1.26 -4.70 113.62 115.04 1bua n SER 112 Ca 0.05 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.85 1bua n SER 112 Cb 0.22 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 64.92 1bua n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1bua h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.50 0.10 116.94 117.72 1bua h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1bua h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1bua h PHE 113 CO 0.00 0.00 0.00 -0.84 -2.00 0.00 0.00 178.31 175.47 1bua h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.87 -3.29 117.51 116.30 1bua h ILE 114 Ca 0.17 -0.47 -0.11 0.00 1.55 0.00 0.00 64.86 66.00 1bua h ILE 114 Cb 0.84 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 38.74 1bua h ILE 114 CO -0.00 0.00 -1.70 0.54 -1.05 0.00 0.00 178.15 175.94 1bua n ARG 115 N -2.61 1.24 -3.67 0.16 1.74 0.01 -4.90 116.66 108.62 1bua n ARG 115 Ca 0.03 -0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 1bua n ARG 115 Cb 0.34 -1.30 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 1bua n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1bua s ASN 116 N -3.97 3.00 0.27 0.55 2.47 0.14 -5.05 114.94 112.35 1bua s ASN 116 Ca -0.05 -0.94 0.16 0.00 0.42 0.00 0.00 52.86 52.45 1bua s ASN 116 Cb 0.06 -0.50 0.96 0.00 -1.45 0.00 0.00 41.25 40.31 1bua s ASN 116 CO 0.51 -0.35 1.09 -3.20 -3.72 0.00 0.00 177.10 171.43 1bua n ASN 117 N 5.11 0.22 -0.48 -4.21 5.15 -1.26 -0.96 115.26 118.83 1bua n ASN 117 Ca -0.07 1.11 0.08 0.00 -0.60 0.00 0.00 54.58 55.10 1bua n ASN 117 Cb 0.46 -0.54 0.19 0.00 -0.53 0.00 0.00 39.78 39.36 1bua n ASN 117 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bua n THR 118 N -4.45 2.11 -3.22 -0.44 -2.24 -1.26 -0.83 114.28 103.94 1bua n THR 118 Ca 0.27 -2.23 -0.41 0.00 -2.27 0.00 0.00 64.05 59.40 1bua n THR 118 Cb 0.94 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 1bua n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1bua s LYS 119 N -2.91 3.70 -1.41 -0.78 2.20 -0.14 -4.38 119.74 116.02 1bua s LYS 119 Ca 0.37 -0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 55.86 1bua s LYS 119 Cb 0.32 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1bua s LYS 119 CO 0.04 -0.61 0.91 0.09 -0.36 0.00 0.00 175.35 175.42 1bua n ASN 120 N 5.76 -6.17 -4.03 1.43 4.13 -1.26 -1.96 115.26 113.16 1bua n ASN 120 Ca -0.04 -0.42 -0.13 0.00 1.68 0.00 0.00 54.58 55.68 1bua n ASN 120 Cb 0.49 -4.88 -0.12 0.00 -1.54 0.00 0.00 39.78 33.73 1bua n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1bua s ILE 121 N -3.25 0.43 0.10 2.41 2.07 -1.26 -1.13 121.20 120.58 1bua s ILE 121 Ca 0.45 -0.91 -0.17 0.00 -1.41 0.00 0.00 60.65 58.60 1bua s ILE 121 Cb -0.20 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 1bua s ILE 121 CO 0.56 -0.33 1.56 0.58 -1.91 0.00 0.00 174.94 175.39 1bua h VAL 122 N 4.61 1.25 -2.96 4.00 2.07 -1.05 -3.45 116.25 120.71 1bua h VAL 122 Ca -0.34 -0.89 -0.48 0.00 0.82 0.00 0.00 66.70 65.81 1bua h VAL 122 Cb 1.20 1.22 -0.15 0.00 -1.52 0.00 0.00 31.29 32.04 1bua h VAL 122 CO 0.42 0.29 -0.75 -0.31 0.02 0.00 0.00 177.57 177.24 1bua s TYR 123 N -5.07 1.77 0.24 1.57 2.02 -1.26 -5.09 117.35 111.54 1bua s TYR 123 Ca -0.13 -0.52 -0.31 0.00 -0.37 0.00 0.00 57.07 55.73 1bua s TYR 123 Cb 0.09 -0.84 -0.13 0.00 -0.40 0.00 0.00 41.96 40.67 1bua s TYR 123 CO 0.76 0.37 1.40 -2.30 -1.57 0.00 0.00 175.55 174.22 1bua n PRO 124 N -0.18 2.04 -0.27 -1.71 -0.02 -1.26 -4.83 135.00 128.76 1bua n PRO 124 Ca -0.09 0.73 0.27 0.00 -2.02 0.00 0.00 63.50 62.38 1bua n PRO 124 Cb 0.59 -2.38 0.63 0.00 -0.02 0.00 0.00 33.50 32.32 1bua n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1bua h PHE 125 N 4.15 0.30 0.00 6.00 3.57 -1.31 -0.60 116.94 129.05 1bua h PHE 125 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1bua h PHE 125 Cb 1.28 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1bua h PHE 125 CO 0.56 0.04 0.00 -0.40 -2.23 0.00 0.00 178.31 176.28 1bua n ASP 126 N -4.40 0.00 -0.42 0.41 5.68 -1.26 -2.41 116.55 114.16 1bua n ASP 126 Ca 0.23 0.23 0.13 0.00 -0.50 0.00 0.00 54.79 54.88 1bua n ASP 126 Cb 0.97 -0.38 0.37 0.00 -1.14 0.00 0.00 41.12 40.94 1bua n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bua n GLN 127 N -1.38 1.30 -4.06 0.11 6.02 -0.23 -4.85 117.38 114.29 1bua n GLN 127 Ca 0.07 -0.84 -0.35 0.00 -0.01 0.00 0.00 57.00 55.87 1bua n GLN 127 Cb 0.18 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 1bua n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1bua s TYR 128 N -2.28 3.28 -0.69 1.08 1.51 -1.01 -0.78 117.35 118.46 1bua s TYR 128 Ca 0.29 0.15 0.16 0.00 -1.01 0.00 0.00 57.07 56.66 1bua s TYR 128 Cb 0.20 -2.01 -0.19 0.00 -0.11 0.00 0.00 41.96 39.85 1bua s TYR 128 CO 0.44 0.28 0.66 0.44 -1.11 0.00 0.00 175.55 176.26 1bua n ILE 129 N 3.09 0.00 -3.72 2.71 -6.64 0.38 -4.87 119.36 110.31 1bua n ILE 129 Ca -0.17 -0.15 -0.14 0.00 -1.77 0.00 0.00 62.75 60.52 1bua n ILE 129 Cb 0.53 0.90 -0.09 0.00 -1.44 0.00 0.00 39.64 39.54 1bua n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1bua s ALA 130 N -2.61 -0.98 -0.24 -1.28 0.00 -1.19 -5.06 121.76 110.41 1bua s ALA 130 Ca 0.05 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 1bua s ALA 130 Cb 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.14 1bua s ALA 130 CO 0.67 -0.25 0.07 -1.01 0.00 0.00 0.00 175.76 175.24 1bua s HIS 131 N -0.82 1.01 0.06 0.00 3.76 -1.26 -1.23 115.29 116.82 1bua s HIS 131 Ca -0.09 -1.03 0.01 0.00 -0.15 0.00 0.00 55.06 53.80 1bua s HIS 131 Cb -0.04 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 1bua s HIS 131 CO 0.04 -0.70 0.15 -1.58 -0.85 0.00 0.00 174.74 171.79 1bua s TRP 132 N 1.86 3.37 -0.16 1.40 0.51 0.10 -1.36 118.94 124.66 1bua s TRP 132 Ca 0.03 0.18 0.01 0.00 -2.12 0.00 0.00 56.10 54.21 1bua s TRP 132 Cb -0.17 -1.70 0.01 0.00 -0.81 0.00 0.00 33.47 30.80 1bua s TRP 132 CO -0.17 0.56 -0.19 0.42 -0.51 0.00 0.00 176.95 177.06 1bua s ILE 133 N -1.43 2.29 -0.40 2.03 -1.09 0.16 -1.50 121.20 121.26 1bua s ILE 133 Ca 0.32 -0.89 -0.14 0.00 -2.23 0.00 0.00 60.65 57.70 1bua s ILE 133 Cb -0.13 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 38.82 1bua s ILE 133 CO 0.24 0.53 0.28 -0.63 -1.23 0.00 0.00 174.94 174.14 1bua s ILE 134 N 0.95 5.18 -0.16 2.92 1.01 -0.39 -1.50 121.20 129.21 1bua s ILE 134 Ca -0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1bua s ILE 134 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1bua s ILE 134 CO -0.04 -0.28 0.05 -0.83 0.00 0.00 0.00 174.94 173.85 1bua s GLY 135 N 1.67 1.91 -0.12 6.18 0.00 -0.63 -0.94 107.32 115.38 1bua s GLY 135 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 1bua s GLY 135 CO 0.10 -0.10 -0.10 -0.19 0.00 0.00 0.00 173.10 172.80 1bua s TYR 136 N 0.00 2.88 -0.11 1.90 1.51 0.18 -1.96 117.35 121.75 1bua s TYR 136 Ca 0.06 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1bua s TYR 136 Cb -0.12 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1bua s TYR 136 CO 0.01 -0.05 -0.20 0.08 -1.11 0.00 0.00 175.55 174.28 1bua s VAL 137 N 0.10 1.81 0.06 0.71 1.01 -0.19 -1.97 120.40 121.94 1bua s VAL 137 Ca -0.04 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1bua s VAL 137 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1bua s VAL 137 CO 0.04 0.50 -0.13 -0.72 0.00 0.00 0.00 175.10 174.79 1bua s TYR 138 N 0.74 1.14 -0.15 5.22 -0.85 -1.05 -0.43 117.35 121.97 1bua s TYR 138 Ca -0.10 -0.44 -0.17 0.00 -0.52 0.00 0.00 57.07 55.84 1bua s TYR 138 Cb -0.16 -0.65 -0.04 0.00 0.38 0.00 0.00 41.96 41.49 1bua s TYR 138 CO 0.01 0.04 0.43 0.99 -1.52 0.00 0.00 175.55 175.50 1bua s THR 139 N -1.19 5.21 0.20 -3.49 2.01 -0.14 -0.59 115.64 117.64 1bua s THR 139 Ca -0.02 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 1bua s THR 139 Cb -0.09 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1bua s THR 139 CO 0.02 0.32 1.19 0.00 -0.69 0.00 0.00 174.62 175.46 1bua s ARG 140 N 0.78 4.50 0.00 4.92 3.03 -0.74 -0.86 118.95 130.58 1bua s ARG 140 Ca 0.23 1.89 0.00 0.00 2.03 0.00 0.00 55.73 59.88 1bua s ARG 140 Cb -0.15 -3.22 0.00 0.00 -1.03 0.00 0.00 34.95 30.55 1bua s ARG 140 CO 0.08 -0.06 0.00 0.28 -1.13 0.00 0.00 175.30 174.47 1bua n VAL 141 N 2.26 0.00 -1.13 4.99 0.31 -0.62 -4.86 118.33 119.27 1bua n VAL 141 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1bua n VAL 141 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 1bua n VAL 141 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1bua n LYS 149 N 0.00 -3.25 -3.06 5.55 -0.00 -1.26 -4.80 118.16 111.34 1bua n LYS 149 Ca 0.00 2.42 -0.28 0.00 -0.00 0.00 0.00 58.31 60.45 1bua n LYS 149 Cb 0.00 -2.72 -0.02 0.00 -0.00 0.00 0.00 35.03 32.29 1bua n LYS 149 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bua s THR 150 N -2.95 4.94 0.31 0.58 -4.23 -1.26 -4.48 115.64 108.55 1bua s THR 150 Ca 0.00 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1bua s THR 150 Cb 0.00 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.00 1bua s THR 150 CO 0.00 -0.51 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.22 1bua s TYR 151 N -2.33 2.07 0.35 3.99 1.51 0.73 -4.94 117.35 118.74 1bua s TYR 151 Ca 0.46 -0.71 0.08 0.00 -1.01 0.00 0.00 57.07 55.89 1bua s TYR 151 Cb -0.10 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1bua s TYR 151 CO 0.34 0.30 0.20 -0.80 -1.11 0.00 0.00 175.55 174.48 1bua s ASN 152 N -3.50 4.82 0.35 2.29 0.01 -1.26 -0.34 114.94 117.31 1bua s ASN 152 Ca 0.32 -0.74 0.06 0.00 -0.71 0.00 0.00 52.86 51.78 1bua s ASN 152 Cb 0.05 -0.74 0.72 0.00 0.41 0.00 0.00 41.25 41.68 1bua s ASN 152 CO 0.14 -0.36 1.92 0.40 -1.51 0.00 0.00 177.10 177.68 1bua h ILE 153 N 1.43 0.97 0.00 0.60 2.04 -1.98 -1.00 117.51 119.57 1bua h ILE 153 Ca -0.44 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1bua h ILE 153 Cb 1.25 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1bua h ILE 153 CO 0.62 0.15 0.00 -3.20 0.00 0.00 0.00 178.15 175.72 1bua n ASN 154 N -4.51 0.00 -0.08 1.72 5.15 -1.26 -2.77 115.26 113.51 1bua n ASN 154 Ca 0.14 -0.69 0.01 0.00 -0.60 0.00 0.00 54.58 53.44 1bua n ASN 154 Cb 0.30 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.57 1bua n ASN 154 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bua n GLU 155 N -0.82 -0.03 -0.53 1.20 1.02 -0.38 -4.82 120.64 116.28 1bua n GLU 155 Ca 0.08 -0.79 0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1bua n GLU 155 Cb 0.04 -1.04 0.72 0.00 -0.02 0.00 0.00 31.44 31.14 1bua n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bua h LEU 156 N 0.34 0.14 -0.40 -4.62 3.38 -1.61 0.60 115.31 113.13 1bua h LEU 156 Ca 0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1bua h LEU 156 Cb 0.16 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bua h LEU 156 CO 0.00 -0.13 -0.50 0.78 0.09 0.00 0.00 178.44 178.69 1bua h ASN 157 N 0.03 0.00 1.29 -0.43 -0.26 -1.88 -3.30 115.58 111.04 1bua h ASN 157 Ca 0.86 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.48 1bua h ASN 157 Cb 3.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 40.27 1bua h ASN 157 CO -0.27 0.50 -0.74 -0.33 -1.06 0.00 0.00 177.43 175.53 1bua h GLU 158 N 0.00 0.00 -6.47 0.81 5.08 -0.16 -3.47 114.58 110.37 1bua h GLU 158 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1bua h GLU 158 Cb 1.21 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.50 1bua h GLU 158 CO 0.06 0.46 1.15 0.42 -1.00 0.00 0.00 179.01 180.10 1bua s ILE 159 N -2.95 2.63 0.29 3.13 1.01 -1.17 -4.96 121.20 119.18 1bua s ILE 159 Ca 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1bua s ILE 159 Cb 0.08 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 1bua s ILE 159 CO 0.76 -0.00 1.04 -2.16 0.00 0.00 0.00 174.94 174.59 1bua s PRO 160 N 3.17 4.62 0.13 2.79 0.04 -1.26 -5.04 135.00 139.46 1bua s PRO 160 Ca 0.83 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.55 1bua s PRO 160 Cb -0.45 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1bua s PRO 160 CO 0.38 0.24 0.25 0.15 0.04 0.00 0.00 177.00 178.06 1bua s LYS 161 N -1.56 3.37 -0.15 4.56 1.02 -1.26 -4.67 119.74 121.05 1bua s LYS 161 Ca 0.46 -0.60 0.10 0.00 0.02 0.00 0.00 55.97 55.95 1bua s LYS 161 Cb -0.28 -2.94 0.55 0.00 -0.52 0.00 0.00 37.83 34.64 1bua s LYS 161 CO 0.36 0.53 1.35 -0.35 -0.92 0.00 0.00 175.35 176.33 1bua n PRO 162 N -0.37 3.52 -4.03 -1.68 -0.04 -1.26 -4.88 135.00 126.26 1bua n PRO 162 Ca -0.07 -2.12 -0.10 0.00 -0.04 0.00 0.00 63.50 61.17 1bua n PRO 162 Cb 0.53 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 1bua n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bua s TYR 163 N -2.12 0.53 0.20 0.54 -0.85 -1.26 -1.59 117.35 112.80 1bua s TYR 163 Ca 0.37 -0.87 -0.09 0.00 -0.52 0.00 0.00 57.07 55.96 1bua s TYR 163 Cb 0.27 0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.67 1bua s TYR 163 CO 0.12 -0.97 0.32 0.15 -1.52 0.00 0.00 175.55 173.65 1bua s LYS 164 N -3.92 1.29 -0.93 -3.49 -0.14 -0.04 -4.83 119.74 107.69 1bua s LYS 164 Ca 0.25 -1.27 -0.22 0.00 -1.36 0.00 0.00 55.97 53.37 1bua s LYS 164 Cb 0.00 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.57 1bua s LYS 164 CO 0.11 -0.49 0.55 0.41 -0.76 0.00 0.00 175.35 175.16 1bua n GLY 165 N -0.28 -0.79 3.71 -3.33 0.00 -1.26 -0.97 105.19 102.28 1bua n GLY 165 Ca -0.04 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1bua n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bua s VAL 166 N -3.54 4.19 0.07 1.61 1.01 -1.26 -4.17 120.40 118.33 1bua s VAL 166 Ca 0.31 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.97 1bua s VAL 166 Cb -0.17 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1bua s VAL 166 CO 0.79 0.13 -0.25 -0.54 0.00 0.00 0.00 175.10 175.23 1bua s LYS 167 N 0.98 1.71 0.05 2.72 1.02 0.42 -4.97 119.74 121.68 1bua s LYS 167 Ca 0.57 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1bua s LYS 167 Cb -0.28 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1bua s LYS 167 CO 0.29 0.50 -0.09 0.54 -0.92 0.00 0.00 175.35 175.66 1bua s VAL 168 N -0.91 0.70 0.09 3.17 0.11 -1.26 -1.03 120.40 121.28 1bua s VAL 168 Ca 0.13 -1.20 -0.10 0.00 -2.93 0.00 0.00 61.98 57.88 1bua s VAL 168 Cb -0.10 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1bua s VAL 168 CO 0.04 -0.37 0.23 0.72 -3.33 0.00 0.00 175.10 172.39 1bua s PHE 169 N -1.50 0.07 -0.10 1.54 -0.12 -0.83 -4.98 117.98 112.06 1bua s PHE 169 Ca -0.06 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1bua s PHE 169 Cb -0.09 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1bua s PHE 169 CO 0.01 -0.56 -0.12 -1.17 -0.05 0.00 0.00 175.22 173.32 1bua s LEU 170 N -2.76 1.57 0.08 -1.99 0.20 -1.26 -1.61 118.68 112.90 1bua s LEU 170 Ca 0.03 -0.36 -0.15 0.00 0.69 0.00 0.00 54.13 54.34 1bua s LEU 170 Cb 0.04 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1bua s LEU 170 CO -0.10 -0.01 0.36 -1.58 -0.29 0.00 0.00 176.35 174.72 1bua s GLN 171 N 1.08 0.93 0.26 1.98 2.00 -0.56 -4.94 119.66 120.40 1bua s GLN 171 Ca -0.06 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 52.43 1bua s GLN 171 Cb -0.15 0.41 -0.09 0.00 0.80 0.00 0.00 33.01 33.98 1bua s GLN 171 CO -0.02 -0.33 1.19 -0.51 -0.50 0.00 0.00 175.29 175.13 1bua s ASP 172 N -2.38 7.07 0.12 6.67 1.11 -1.26 0.39 116.67 128.39 1bua s ASP 172 Ca -0.01 2.37 -0.26 0.00 0.18 0.00 0.00 52.55 54.83 1bua s ASP 172 Cb 0.01 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.32 1bua s ASP 172 CO -0.07 -0.33 1.64 0.50 1.18 0.00 0.00 175.17 178.09 1bua h LYS 173 N 4.28 -0.38 -0.51 8.23 3.64 -1.55 -2.44 116.57 127.85 1bua h LYS 173 Ca -0.46 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1bua h LYS 173 Cb 1.22 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1bua h LYS 173 CO 0.70 -0.25 0.35 0.11 -2.27 0.00 0.00 179.45 178.08 1bua h TRP 174 N -0.39 0.27 -0.22 1.91 5.08 -1.93 -1.39 115.95 119.28 1bua h TRP 174 Ca 0.06 0.01 -0.10 0.00 1.08 0.00 0.00 58.89 59.93 1bua h TRP 174 Cb 0.47 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.53 1bua h TRP 174 CO -0.28 0.13 -0.31 0.28 -1.28 0.00 0.00 178.44 176.98 1bua h VAL 175 N 0.25 1.28 -0.02 0.12 2.07 -1.82 -3.19 116.25 114.94 1bua h VAL 175 Ca 0.24 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1bua h VAL 175 Cb 0.60 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1bua h VAL 175 CO -0.05 0.42 -0.04 2.30 0.02 0.00 0.00 177.57 180.23 1bua n ILE 176 N -4.09 0.00 -1.99 4.57 -5.35 -0.81 -3.52 119.36 108.17 1bua n ILE 176 Ca -0.01 -0.48 -0.38 0.00 -0.27 0.00 0.00 62.75 61.61 1bua n ILE 176 Cb 0.43 1.35 0.02 0.00 -1.74 0.00 0.00 39.64 39.70 1bua n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bua s ALA 177 N -1.51 2.96 0.07 -1.28 0.00 -0.59 -0.93 121.76 120.49 1bua s ALA 177 Ca 0.20 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1bua s ALA 177 Cb 0.14 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1bua s ALA 177 CO 0.24 -1.03 0.05 0.41 0.00 0.00 0.00 175.76 175.43 1bua n GLY 178 N 0.61 3.06 0.70 0.00 0.00 0.63 -4.31 105.19 105.88 1bua n GLY 178 Ca 0.08 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.99 1bua n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bua n ASP 179 N -1.94 2.60 -4.38 1.61 5.75 -1.26 -4.76 116.55 114.16 1bua n ASP 179 Ca -0.00 -1.75 -0.32 0.00 -0.01 0.00 0.00 54.79 52.71 1bua n ASP 179 Cb 0.08 -0.10 -0.15 0.00 -1.03 0.00 0.00 41.12 39.93 1bua n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1bua s LEU 180 N -1.19 2.34 0.57 -2.12 1.43 -1.26 -4.55 118.68 113.91 1bua s LEU 180 Ca 0.22 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1bua s LEU 180 Cb 0.14 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1bua s LEU 180 CO 0.20 0.32 1.35 0.00 0.23 0.00 0.00 176.35 178.45 1bua s ALA 181 N -0.69 2.70 -0.40 4.21 0.00 -1.26 -2.20 121.76 124.12 1bua s ALA 181 Ca 0.11 1.31 0.23 0.00 0.00 0.00 0.00 51.96 53.61 1bua s ALA 181 Cb -0.10 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.54 1bua s ALA 181 CO 0.00 -1.45 1.10 0.41 0.00 0.00 0.00 175.76 175.82 1bua n GLY 182 N 0.77 -1.40 3.33 0.00 0.00 0.15 -4.46 105.19 103.58 1bua n GLY 182 Ca 0.12 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1bua n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bua s SER 183 N -4.79 -0.36 0.00 1.61 1.04 -1.22 -4.90 113.70 105.07 1bua s SER 183 Ca 0.02 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1bua s SER 183 Cb 0.11 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1bua s SER 183 CO 0.78 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1bua n GLY 184 N 1.54 1.09 0.28 7.32 0.00 -1.26 -3.34 105.19 110.82 1bua n GLY 184 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1bua n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1bua h ASN 185 N 0.00 0.07 -0.59 1.61 7.08 -1.99 -1.59 115.58 120.16 1bua h ASN 185 Ca 0.00 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1bua h ASN 185 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 1bua h ASN 185 CO 0.00 0.05 0.00 0.35 -2.08 0.00 0.00 177.43 175.75 1bua n THR 186 N -4.52 0.89 -3.85 6.14 -2.24 -1.26 -4.99 114.28 104.45 1bua n THR 186 Ca -0.01 -0.82 -0.32 0.00 -2.27 0.00 0.00 64.05 60.63 1bua n THR 186 Cb 0.13 0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1bua n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bua n THR 187 N 1.19 -2.46 -4.01 4.28 -2.24 -0.60 -4.76 114.28 105.69 1bua n THR 187 Ca 0.20 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1bua n THR 187 Cb 0.54 -2.14 -0.06 0.00 -2.10 0.00 0.00 70.33 66.57 1bua n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1bua s ASN 188 N -3.33 5.80 0.22 3.42 0.02 -1.21 -1.28 114.94 118.58 1bua s ASN 188 Ca 0.23 0.07 -0.30 0.00 -1.02 0.00 0.00 52.86 51.84 1bua s ASN 188 Cb -0.13 -1.63 -0.09 0.00 0.02 0.00 0.00 41.25 39.42 1bua s ASN 188 CO 0.80 0.16 1.14 -0.63 0.02 0.00 0.00 177.10 178.59 1bua s ILE 189 N -1.46 3.59 -0.00 0.60 1.01 0.11 0.29 121.20 125.34 1bua s ILE 189 Ca 0.31 1.44 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1bua s ILE 189 Cb -0.12 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1bua s ILE 189 CO 0.24 0.28 0.21 -0.83 0.00 0.00 0.00 174.94 174.84 1bua s GLY 190 N -0.33 2.20 0.80 6.18 0.00 -0.93 -0.04 107.32 115.19 1bua s GLY 190 Ca 0.49 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 1bua s GLY 190 CO 0.38 -0.58 1.11 -1.35 0.00 0.00 0.00 173.10 172.67 1bua s SER 191 N -1.88 4.10 0.87 1.64 1.04 -0.52 -0.27 113.70 118.68 1bua s SER 191 Ca 0.27 0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 1bua s SER 191 Cb -0.13 -0.52 0.12 0.00 0.10 0.00 0.00 66.02 65.59 1bua s SER 191 CO 0.18 -2.06 1.11 0.27 0.98 0.00 0.00 173.24 173.72 1bua s ILE 192 N -3.44 2.62 -0.38 -1.02 -4.36 -0.10 -4.22 121.20 110.30 1bua s ILE 192 Ca 0.67 0.20 -0.05 0.00 -0.26 0.00 0.00 60.65 61.21 1bua s ILE 192 Cb -0.07 -2.45 0.08 0.00 1.25 0.00 0.00 42.46 41.27 1bua s ILE 192 CO 0.47 -0.26 0.16 -2.28 0.24 0.00 0.00 174.94 173.27 1bua s HIS 193 N -2.77 3.40 0.00 1.37 5.65 -1.26 -4.49 115.29 117.19 1bua s HIS 193 Ca 0.64 -1.91 0.00 0.00 0.25 0.00 0.00 55.06 54.04 1bua s HIS 193 Cb -0.20 -2.76 0.00 0.00 -1.18 0.00 0.00 32.58 28.44 1bua s HIS 193 CO 0.57 -0.87 0.00 0.00 -0.65 0.00 0.00 174.74 173.80 1bua n ALA 194 N 4.72 0.00 -2.55 1.58 0.00 -0.73 -4.89 120.51 118.64 1bua n ALA 194 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1bua n ALA 194 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1bua n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1bua s HIS 195 N -5.76 3.48 0.32 0.00 3.76 -1.26 0.29 115.29 116.12 1bua s HIS 195 Ca 0.00 0.59 0.09 0.00 -0.15 0.00 0.00 55.06 55.60 1bua s HIS 195 Cb 0.00 -2.07 0.91 0.00 1.11 0.00 0.00 32.58 32.53 1bua s HIS 195 CO 0.00 0.17 1.68 -0.92 -0.85 0.00 0.00 174.74 174.82 1bua h TYR 196 N 1.58 0.79 -0.77 1.40 3.20 -1.95 -0.23 116.97 120.99 1bua h TYR 196 Ca -0.48 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.49 1bua h TYR 196 Cb 1.19 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 1bua h TYR 196 CO 0.57 -0.11 0.50 0.87 -1.64 0.00 0.00 178.16 178.35 1bua h LYS 197 N 0.37 0.83 -0.10 1.82 1.79 -1.99 -0.30 116.57 118.99 1bua h LYS 197 Ca 0.65 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 59.00 1bua h LYS 197 Cb 1.36 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1bua h LYS 197 CO -0.57 0.55 -0.26 -0.44 -1.08 0.00 0.00 179.45 177.64 1bua h ASP 198 N 0.85 0.18 -0.13 0.86 3.32 -1.42 0.17 116.42 120.24 1bua h ASP 198 Ca 0.33 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1bua h ASP 198 Cb 0.19 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1bua h ASP 198 CO -0.11 0.44 -0.39 -0.26 -1.72 0.00 0.00 179.24 177.20 1bua h PHE 199 N 0.16 0.65 -0.12 4.55 -1.00 -0.99 0.17 116.94 120.37 1bua h PHE 199 Ca 0.03 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.54 1bua h PHE 199 Cb 0.55 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1bua h PHE 199 CO 0.01 1.01 0.06 0.28 -1.61 0.00 0.00 178.31 178.06 1bua h VAL 200 N 0.11 1.09 0.00 -0.55 2.07 -0.99 -2.91 116.25 115.07 1bua h VAL 200 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1bua h VAL 200 Cb 1.01 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1bua h VAL 200 CO 0.08 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 177.42 1bua h GLU 201 N 0.09 0.00 -1.93 1.57 5.08 -0.69 -3.48 114.58 115.22 1bua h GLU 201 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1bua h GLU 201 Cb 0.07 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.35 1bua h GLU 201 CO -0.01 0.00 -0.19 0.41 -1.00 0.00 0.00 179.01 178.23 1bua n GLY 202 N 0.34 0.38 2.84 -3.84 0.00 -0.05 -4.95 105.19 99.91 1bua n GLY 202 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1bua n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bua n LYS 203 N -1.76 3.19 0.00 1.61 5.02 -0.59 -4.93 118.16 120.69 1bua n LYS 203 Ca -0.02 -3.03 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1bua n LYS 203 Cb 0.53 -3.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 1bua n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bua n GLY 204 N 3.64 1.46 0.00 0.72 0.00 -1.23 -4.95 105.19 104.84 1bua n GLY 204 Ca 0.47 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bua n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bua n ILE 205 N 0.00 0.00 -2.50 -0.61 -5.35 -1.26 -5.05 119.36 104.59 1bua n ILE 205 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 1bua n ILE 205 Cb 0.00 -0.90 -0.04 0.00 -1.74 0.00 0.00 39.64 36.96 1bua n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1bua s PHE 206 N -1.96 3.32 -0.10 4.28 0.08 -1.26 -4.96 117.98 117.37 1bua s PHE 206 Ca 0.00 1.65 0.15 0.00 0.12 0.00 0.00 56.93 58.85 1bua s PHE 206 Cb 0.00 -3.19 -0.11 0.00 -0.57 0.00 0.00 43.02 39.15 1bua s PHE 206 CO 0.00 -0.68 0.98 -0.44 -0.10 0.00 0.00 175.22 174.98 1bua h ASP 207 N 2.82 0.00 -5.27 1.36 3.32 -1.96 -3.48 116.42 113.21 1bua h ASP 207 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 1bua h ASP 207 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 1bua h ASP 207 CO 0.63 0.65 -0.22 -0.94 -1.72 0.00 0.00 179.24 177.64 1bua s SER 208 N -6.05 -0.04 0.35 6.45 1.04 -1.26 -5.02 113.70 109.18 1bua s SER 208 Ca -0.01 -0.90 0.16 0.00 0.48 0.00 0.00 55.95 55.67 1bua s SER 208 Cb 0.08 0.51 0.63 0.00 0.10 0.00 0.00 66.02 67.35 1bua s SER 208 CO 0.80 -1.02 1.73 -0.08 0.98 0.00 0.00 173.24 175.65 1bua h GLU 209 N 2.38 0.00 -0.52 4.02 4.81 -1.93 -2.52 114.58 120.81 1bua h GLU 209 Ca -0.29 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 1bua h GLU 209 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1bua h GLU 209 CO 0.42 0.43 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.54 1bua h ASP 210 N 0.00 1.04 -0.56 1.04 3.32 -1.99 -1.12 116.42 118.16 1bua h ASP 210 Ca -0.00 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 1bua h ASP 210 Cb 0.88 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1bua h ASP 210 CO 0.06 1.17 0.11 -0.08 -1.72 0.00 0.00 179.24 178.77 1bua h GLU 211 N 0.90 0.91 0.25 3.56 4.81 -1.91 -0.10 114.58 122.99 1bua h GLU 211 Ca 0.13 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1bua h GLU 211 Cb 0.73 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1bua h GLU 211 CO 0.06 0.87 -0.17 0.35 -0.73 0.00 0.00 179.01 179.38 1bua h PHE 212 N 0.81 -0.45 -0.66 0.92 3.57 -1.23 -0.15 116.94 119.75 1bua h PHE 212 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1bua h PHE 212 Cb 0.39 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1bua h PHE 212 CO 0.03 -0.27 0.32 -0.07 -2.23 0.00 0.00 178.31 176.09 1bua h LEU 213 N -0.42 0.86 -0.45 0.59 3.38 -1.17 -1.85 115.31 116.26 1bua h LEU 213 Ca -0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1bua h LEU 213 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1bua h LEU 213 CO 0.01 0.75 0.09 -0.78 0.09 0.00 0.00 178.44 178.59 1bua h ASP 214 N 0.91 0.70 -0.29 -0.43 3.58 -0.79 -0.79 116.42 119.31 1bua h ASP 214 Ca 0.23 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1bua h ASP 214 Cb 0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1bua h ASP 214 CO -0.03 0.77 0.18 0.22 -2.88 0.00 0.00 179.24 177.51 1bua h TYR 215 N 0.60 0.38 0.00 0.28 5.03 -0.88 -2.52 116.97 119.86 1bua h TYR 215 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1bua h TYR 215 Cb 0.36 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1bua h TYR 215 CO 0.02 0.26 0.00 -1.49 -1.32 0.00 0.00 178.16 175.64 1bua h TRP 216 N 0.38 0.00 0.00 -3.82 4.06 -1.22 -2.26 115.95 113.09 1bua h TRP 216 Ca 0.11 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.98 1bua h TRP 216 Cb -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1bua h TRP 216 CO -0.05 0.00 -0.34 0.00 -3.56 0.00 0.00 178.44 174.49 1bua h ARG 217 N 0.00 0.00 -0.25 0.49 3.08 -0.86 -3.28 114.38 113.56 1bua h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bua h ARG 217 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1bua h ARG 217 CO 0.00 0.34 0.00 0.09 -1.07 0.00 0.00 179.97 179.33 1bua n ASN 218 N -3.18 2.75 -4.71 7.04 4.13 -0.98 -4.99 115.26 115.32 1bua n ASN 218 Ca 0.03 -2.10 -0.42 0.00 1.68 0.00 0.00 54.58 53.77 1bua n ASN 218 Cb 0.67 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.68 1bua n ASN 218 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1bua s TYR 219 N -1.17 3.52 0.20 3.10 5.04 -0.87 -4.95 117.35 122.23 1bua s TYR 219 Ca 0.19 1.45 -0.24 0.00 -2.44 0.00 0.00 57.07 56.03 1bua s TYR 219 Cb 0.11 -3.30 -0.08 0.00 0.35 0.00 0.00 41.96 39.03 1bua s TYR 219 CO 0.11 -0.79 0.79 -1.21 -1.34 0.00 0.00 175.55 173.11 1bua s GLU 220 N 1.04 4.49 0.52 4.97 0.41 -1.26 -4.98 118.70 123.89 1bua s GLU 220 Ca 0.56 1.11 0.22 0.00 -0.41 0.00 0.00 54.97 56.45 1bua s GLU 220 Cb -0.26 -3.11 1.33 0.00 -1.78 0.00 0.00 34.13 30.31 1bua s GLU 220 CO 0.29 0.49 2.04 0.00 -0.49 0.00 0.00 175.26 177.59 1bua h ARG 221 N 3.94 0.03 -5.56 1.61 3.08 -1.97 -3.44 114.38 112.07 1bua h ARG 221 Ca -0.47 -0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.13 1bua h ARG 221 Cb 1.20 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.06 1bua h ARG 221 CO 0.66 0.02 -0.76 0.95 -1.07 0.00 0.00 179.97 179.76 1bua s THR 222 N -5.06 1.47 0.39 2.04 -4.23 -1.26 -5.03 115.64 103.95 1bua s THR 222 Ca -0.05 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1bua s THR 222 Cb 0.19 -1.63 0.29 0.00 1.34 0.00 0.00 72.50 72.69 1bua s THR 222 CO 0.72 -0.40 1.99 0.77 -0.54 0.00 0.00 174.62 177.16 1bua h SER 223 N 3.42 0.57 -0.64 3.99 4.64 -1.97 0.31 113.55 123.87 1bua h SER 223 Ca -0.40 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1bua h SER 223 Cb 1.20 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1bua h SER 223 CO 0.51 0.38 0.39 1.56 -0.87 0.00 0.00 176.83 178.79 1bua h GLN 224 N 0.65 0.74 -0.14 4.77 7.50 -1.97 0.41 115.11 127.07 1bua h GLN 224 Ca 0.27 -0.04 -0.16 0.00 0.50 0.00 0.00 58.65 59.21 1bua h GLN 224 Cb 0.23 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1bua h GLN 224 CO -0.08 0.49 -0.59 -0.07 -1.50 0.00 0.00 178.83 177.08 1bua h LEU 225 N 0.76 0.53 -1.03 1.46 3.38 -1.62 -3.16 115.31 115.62 1bua h LEU 225 Ca 0.26 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1bua h LEU 225 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1bua h LEU 225 CO -0.11 1.00 -0.34 0.03 0.09 0.00 0.00 178.44 179.10 1bua h ARG 226 N 0.35 0.00 -0.82 1.13 3.08 0.30 -3.05 114.38 115.37 1bua h ARG 226 Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1bua h ARG 226 Cb 1.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1bua h ARG 226 CO 0.11 0.34 0.53 -0.91 -1.07 0.00 0.00 179.97 178.96 1bua h ASN 227 N 0.00 0.69 1.31 7.04 -0.26 -0.21 -0.96 115.58 123.19 1bua h ASN 227 Ca -0.00 0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1bua h ASN 227 Cb 0.83 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 1bua h ASN 227 CO 0.04 0.41 -0.56 0.44 -1.06 0.00 0.00 177.43 176.70 1bua h ASP 228 N 0.76 0.00 0.00 5.81 3.32 -1.70 -3.44 116.42 121.18 1bua h ASP 228 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1bua h ASP 228 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1bua h ASP 228 CO -0.15 0.56 0.00 1.17 -1.72 0.00 0.00 179.24 179.10 1bua n LYS 229 N -3.30 0.00 -3.71 3.56 4.81 -0.41 -5.13 118.16 113.98 1bua n LYS 229 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1bua n LYS 229 Cb 0.73 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.70 1bua n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1bua s TYR 230 N 0.55 -0.33 -0.07 5.64 -0.85 -0.91 -4.89 117.35 116.48 1bua s TYR 230 Ca 0.00 0.63 0.02 0.00 -0.52 0.00 0.00 57.07 57.19 1bua s TYR 230 Cb 0.00 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1bua s TYR 230 CO 0.00 -0.39 0.07 0.09 -1.52 0.00 0.00 175.55 173.80 1bua n ASN 231 N 1.58 0.46 -3.57 -0.18 3.02 -1.26 -4.79 115.26 110.53 1bua n ASN 231 Ca -0.19 -0.49 -0.11 0.00 -0.03 0.00 0.00 54.58 53.76 1bua n ASN 231 Cb 0.56 1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 1bua n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bua s ASN 232 N -1.25 0.22 0.29 6.41 2.20 -1.26 -4.76 114.94 116.79 1bua s ASN 232 Ca 0.01 -1.12 -0.01 0.00 -0.94 0.00 0.00 52.86 50.80 1bua s ASN 232 Cb 0.01 0.67 0.44 0.00 -2.00 0.00 0.00 41.25 40.37 1bua s ASN 232 CO 0.07 -1.30 1.89 -0.29 -2.94 0.00 0.00 177.10 174.52 1bua h ILE 233 N 2.15 1.21 0.21 0.54 6.09 -1.98 -1.09 117.51 124.64 1bua h ILE 233 Ca -0.27 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 1bua h ILE 233 Cb 1.25 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1bua h ILE 233 CO 0.37 0.26 -0.19 0.28 -3.07 0.00 0.00 178.15 175.79 1bua h SER 234 N 0.89 -0.50 -0.66 2.19 0.02 -2.00 -1.29 113.55 112.20 1bua h SER 234 Ca 0.22 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1bua h SER 234 Cb 0.13 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1bua h SER 234 CO -0.02 -0.29 0.36 -0.33 -1.14 0.00 0.00 176.83 175.41 1bua h GLU 235 N -0.42 0.94 -0.18 3.45 5.08 -1.93 -2.31 114.58 119.21 1bua h GLU 235 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1bua h GLU 235 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1bua h GLU 235 CO -0.04 0.70 0.10 -0.92 -1.00 0.00 0.00 179.01 177.85 1bua h TYR 236 N 0.94 0.23 -0.67 4.33 3.20 -0.76 -0.44 116.97 123.82 1bua h TYR 236 Ca 0.24 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1bua h TYR 236 Cb 0.04 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1bua h TYR 236 CO 0.01 0.20 0.23 0.00 -1.64 0.00 0.00 178.16 176.96 1bua h ARG 237 N 0.20 1.00 -0.27 1.82 3.08 -1.05 -0.54 114.38 118.61 1bua h ARG 237 Ca 0.06 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1bua h ARG 237 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1bua h ARG 237 CO -0.01 0.84 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.80 1bua h ASN 238 N 0.97 0.48 -0.75 7.04 2.35 -1.22 0.22 115.58 124.68 1bua h ASN 238 Ca 0.22 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1bua h ASN 238 Cb 0.24 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1bua h ASN 238 CO -0.01 0.69 0.49 -0.25 -1.65 0.00 0.00 177.43 176.70 1bua h TRP 239 N 0.27 0.75 -0.14 1.19 7.01 -0.79 0.27 115.95 124.51 1bua h TRP 239 Ca 0.08 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.98 1bua h TRP 239 Cb 0.45 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1bua h TRP 239 CO 0.04 0.37 -0.35 0.82 -2.79 0.00 0.00 178.44 176.53 1bua h ILE 240 N 0.72 1.36 -0.74 2.65 1.08 -0.74 0.61 117.51 122.45 1bua h ILE 240 Ca 0.34 -1.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.25 1bua h ILE 240 Cb 0.37 2.04 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 1bua h ILE 240 CO -0.12 0.49 0.42 0.22 -0.69 0.00 0.00 178.15 178.46 1bua h TYR 241 N 0.09 0.76 -0.00 1.37 3.20 0.14 -2.05 116.97 120.48 1bua h TYR 241 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bua h TYR 241 Cb 0.96 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1bua h TYR 241 CO 0.10 0.34 -0.03 0.54 -1.64 0.00 0.00 178.16 177.47 1bua n ARG 242 N -4.77 0.79 0.00 1.82 5.12 -0.45 -4.88 116.66 114.29 1bua n ARG 242 Ca 0.11 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1bua n ARG 242 Cb 0.22 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1bua n ARG 242 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bua n GLY 243 N 1.17 1.43 3.85 -0.13 0.00 -0.77 -5.09 105.19 105.66 1bua n GLY 243 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1bua n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86