#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 0.21 -0.27 1.04 5.85 -1.99 -0.45 115.31 119.70 1bua h LEU 3 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1bua h LEU 3 Cb 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1bua h LEU 3 CO 0.00 0.13 0.11 -0.09 -0.34 0.00 0.00 178.44 178.25 1bua h ARG 4 N 0.39 0.40 -0.46 1.25 2.43 -1.99 -0.09 114.38 116.31 1bua h ARG 4 Ca 0.28 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1bua h ARG 4 Cb 0.32 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1bua h ARG 4 CO -0.28 0.43 -0.20 0.66 -1.51 0.00 0.00 179.97 179.07 1bua h SER 5 N 0.28 0.93 -0.27 -3.80 4.64 -1.93 -0.71 113.55 112.70 1bua h SER 5 Ca 0.09 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1bua h SER 5 Cb 0.18 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1bua h SER 5 CO -0.01 1.10 0.09 0.44 -0.87 0.00 0.00 176.83 177.58 1bua h ASP 6 N 0.80 0.38 -0.36 4.97 3.32 -0.98 -1.23 116.42 123.32 1bua h ASP 6 Ca 0.11 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1bua h ASP 6 Cb 0.75 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1bua h ASP 6 CO 0.06 0.48 0.22 0.25 -1.72 0.00 0.00 179.24 178.53 1bua h LEU 7 N 0.27 0.37 -1.29 1.55 6.46 -0.88 0.58 115.31 122.37 1bua h LEU 7 Ca 0.09 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1bua h LEU 7 Cb 0.23 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1bua h LEU 7 CO -0.00 0.27 0.40 0.40 -0.62 0.00 0.00 178.44 178.88 1bua h ILE 8 N 0.45 1.18 -0.13 4.05 2.04 -1.01 -0.70 117.51 123.40 1bua h ILE 8 Ca 0.14 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1bua h ILE 8 Cb -0.02 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1bua h ILE 8 CO -0.05 0.19 -0.42 0.78 0.00 0.00 0.00 178.15 178.65 1bua h ASN 9 N 0.90 0.59 0.10 1.72 2.35 -0.43 -2.44 115.58 118.36 1bua h ASN 9 Ca 0.24 -0.61 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 1bua h ASN 9 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1bua h ASN 9 CO -0.05 1.09 -0.17 0.00 -1.65 0.00 0.00 177.43 176.66 1bua h ALA 10 N 0.51 -0.28 -0.73 -0.83 0.00 -0.68 -1.00 119.26 116.24 1bua h ALA 10 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1bua h ALA 10 Cb 1.05 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1bua h ALA 10 CO 0.09 -0.69 0.34 -0.07 0.00 0.00 0.00 179.25 178.92 1bua h LEU 11 N -0.33 0.40 -0.74 0.00 3.38 -1.15 0.19 115.31 117.07 1bua h LEU 11 Ca 0.02 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1bua h LEU 11 Cb 0.35 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1bua h LEU 11 CO -0.09 0.21 0.07 1.88 0.09 0.00 0.00 178.44 180.60 1bua h TYR 12 N 0.55 1.10 0.63 1.13 0.99 -1.12 -3.28 116.97 116.97 1bua h TYR 12 Ca 0.38 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 1bua h TYR 12 Cb 0.47 -0.30 0.01 0.00 1.00 0.00 0.00 36.73 37.91 1bua h TYR 12 CO -0.13 0.94 -0.30 0.38 -0.00 0.00 0.00 178.16 179.06 1bua h ASP 13 N 0.96 -0.72 -3.62 3.88 3.04 0.65 -3.52 116.42 117.10 1bua h ASP 13 Ca 0.19 -0.01 -0.54 0.00 -3.24 0.00 0.00 57.03 53.42 1bua h ASP 13 Cb 0.46 0.19 0.19 0.00 -1.04 0.00 0.00 39.33 39.12 1bua h ASP 13 CO 0.02 -0.43 -0.17 -0.62 -2.04 0.00 0.00 179.24 176.00 1bua n GLU 14 N -5.41 0.12 -3.71 4.15 -0.58 -0.10 -5.10 120.64 110.01 1bua n GLU 14 Ca -0.13 0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.42 1bua n GLU 14 Cb 0.36 -2.06 -0.13 0.00 -0.57 0.00 0.00 31.44 29.04 1bua n GLU 14 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1bua s ASP 19 N -1.84 3.70 0.24 1.62 1.47 -1.26 -4.95 116.67 115.66 1bua s ASP 19 Ca 0.66 -2.42 -0.31 0.00 1.18 0.00 0.00 52.55 51.67 1bua s ASP 19 Cb -0.29 -0.98 -0.11 0.00 -0.34 0.00 0.00 42.92 41.20 1bua s ASP 19 CO 0.58 -0.30 1.56 -0.69 0.68 0.00 0.00 175.17 177.00 1bua s VAL 20 N 0.63 2.37 0.00 2.11 1.01 -1.26 -4.93 120.40 120.33 1bua s VAL 20 Ca 0.16 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1bua s VAL 20 Cb -0.23 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1bua s VAL 20 CO -0.04 0.04 0.59 0.00 0.00 0.00 0.00 175.10 175.69 1bua n GLY 22 N -0.17 0.55 3.90 0.00 0.00 -1.26 -3.98 105.19 104.23 1bua n GLY 22 Ca 0.00 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 5.32 -0.06 -0.61 -4.36 0.90 -4.89 121.20 115.50 1bua s ILE 23 Ca 0.00 -0.08 0.05 0.00 -0.26 0.00 0.00 60.65 60.36 1bua s ILE 23 Cb 0.00 -3.59 -0.01 0.00 1.25 0.00 0.00 42.46 40.11 1bua s ILE 23 CO 0.00 0.22 -0.22 -0.51 0.24 0.00 0.00 174.94 174.67 1bua s ILE 24 N -1.44 2.29 0.48 8.37 1.10 -1.26 -0.10 121.20 130.64 1bua s ILE 24 Ca 0.32 -0.98 -0.02 0.00 -0.51 0.00 0.00 60.65 59.46 1bua s ILE 24 Cb -0.13 -1.85 -0.00 0.00 0.15 0.00 0.00 42.46 40.63 1bua s ILE 24 CO 0.22 0.57 0.73 -0.94 -2.11 0.00 0.00 174.94 173.41 1bua s SER 25 N -0.20 5.83 0.43 4.50 1.04 -0.19 -4.98 113.70 120.13 1bua s SER 25 Ca -0.02 0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.96 1bua s SER 25 Cb -0.13 -1.66 0.94 0.00 0.10 0.00 0.00 66.02 65.27 1bua s SER 25 CO 0.03 -0.77 2.05 0.00 0.98 0.00 0.00 173.24 175.53 1bua h ALA 26 N 0.25 1.81 -0.12 5.32 0.00 -2.01 -0.84 119.26 123.68 1bua h ALA 26 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bua h ALA 26 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bua h ALA 26 CO 0.59 0.14 0.00 -0.85 0.00 0.00 0.00 179.25 179.13 1bua n GLU 27 N -4.48 1.46 -0.98 0.00 -0.00 -1.26 -4.91 120.64 110.47 1bua n GLU 27 Ca 0.04 -0.51 0.00 0.00 -0.00 0.00 0.00 57.16 56.69 1bua n GLU 27 Cb 0.14 -1.31 0.00 0.00 -0.00 0.00 0.00 31.44 30.27 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 0.49 0.47 3.76 -1.84 0.00 -0.32 -5.02 105.19 102.73 1bua n GLY 28 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 4.29 -0.14 1.61 0.00 -1.26 -4.07 119.74 119.81 1bua s LYS 29 Ca 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 55.97 56.61 1bua s LYS 29 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 37.83 34.45 1bua s LYS 29 CO 0.00 0.36 -0.01 0.42 0.00 0.00 0.00 175.35 176.11 1bua s ILE 30 N -0.12 4.14 -0.17 3.79 1.01 -0.29 -1.02 121.20 128.54 1bua s ILE 30 Ca 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1bua s ILE 30 Cb -0.18 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1bua s ILE 30 CO 0.16 0.52 -0.07 -0.31 0.00 0.00 0.00 174.94 175.24 1bua s TYR 31 N 0.05 2.93 0.97 3.97 1.51 0.86 -0.83 117.35 126.81 1bua s TYR 31 Ca 0.02 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.32 1bua s TYR 31 Cb -0.13 -1.98 0.17 0.00 -0.11 0.00 0.00 41.96 39.91 1bua s TYR 31 CO 0.02 -0.29 1.11 -2.14 -1.11 0.00 0.00 175.55 173.14 1bua s PRO 32 N 0.80 0.62 0.24 -1.71 0.02 -1.26 -0.07 135.00 133.64 1bua s PRO 32 Ca -0.02 1.31 -0.17 0.00 0.02 0.00 0.00 61.00 62.13 1bua s PRO 32 Cb -0.15 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1bua s PRO 32 CO 0.01 -2.82 0.69 -0.51 -0.33 0.00 0.00 177.00 174.04 1bua s LEU 33 N -6.70 4.26 0.51 -5.54 1.43 -1.26 -4.72 118.68 106.67 1bua s LEU 33 Ca 0.67 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 1bua s LEU 33 Cb -0.23 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.34 1bua s LEU 33 CO 0.59 -0.02 0.75 -0.83 0.23 0.00 0.00 176.35 177.07 1bua s GLY 34 N -1.85 1.65 0.45 -3.19 0.00 -1.26 -4.58 107.32 98.53 1bua s GLY 34 Ca 0.45 -1.06 0.25 0.00 0.00 0.00 0.00 44.72 44.36 1bua s GLY 34 CO 0.20 -0.83 1.70 1.48 0.00 0.00 0.00 173.10 175.64 1bua h SER 35 N 0.17 0.00 -1.67 1.64 4.64 -1.97 -3.44 113.55 112.92 1bua h SER 35 Ca -0.45 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.20 1bua h SER 35 Cb 1.27 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.44 1bua h SER 35 CO 0.57 0.08 0.06 -0.67 -0.87 0.00 0.00 176.83 176.00 1bua n ASP 36 N -3.14 0.61 -0.24 4.97 -0.08 -1.26 -4.88 116.55 112.53 1bua n ASP 36 Ca 0.03 1.15 0.02 0.00 -1.51 0.00 0.00 54.79 54.48 1bua n ASP 36 Cb 0.49 -1.13 0.15 0.00 2.34 0.00 0.00 41.12 42.97 1bua n ASP 36 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1bua h THR 37 N 2.31 0.74 0.00 5.18 1.35 -2.03 0.13 112.91 120.59 1bua h THR 37 Ca -0.41 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 1bua h THR 37 Cb 1.38 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1bua h THR 37 CO 0.66 0.08 -0.08 0.50 -0.25 0.00 0.00 175.52 176.44 1bua h LYS 38 N 0.46 0.00 0.33 4.72 3.64 -1.98 -3.21 116.57 120.52 1bua h LYS 38 Ca 0.36 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1bua h LYS 38 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1bua h LYS 38 CO -0.34 0.08 -0.23 0.28 -2.27 0.00 0.00 179.45 176.97 1bua h VAL 39 N 0.00 0.00 -0.87 2.00 2.07 -1.07 -2.41 116.25 115.96 1bua h VAL 39 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1bua h VAL 39 Cb 0.15 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1bua h VAL 39 CO 0.01 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.11 1bua h LEU 40 N -0.53 0.96 -0.69 2.57 3.38 -1.58 -0.20 115.31 119.22 1bua h LEU 40 Ca -0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1bua h LEU 40 Cb 0.43 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1bua h LEU 40 CO 0.03 0.67 0.16 0.77 0.09 0.00 0.00 178.44 180.15 1bua h SER 41 N 1.12 1.06 -0.68 -0.43 4.64 -1.60 0.17 113.55 117.83 1bua h SER 41 Ca 0.34 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1bua h SER 41 Cb -0.02 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 1bua h SER 41 CO -0.09 1.02 0.34 0.74 -0.87 0.00 0.00 176.83 177.97 1bua h THR 42 N 1.04 1.23 -0.03 2.95 2.02 -0.81 -1.89 112.91 117.42 1bua h THR 42 Ca 0.22 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1bua h THR 42 Cb 0.39 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1bua h THR 42 CO 0.00 0.26 0.01 0.40 0.37 0.00 0.00 175.52 176.57 1bua h ILE 43 N 0.95 1.14 0.00 3.11 1.08 -0.07 -2.39 117.51 121.33 1bua h ILE 43 Ca 0.24 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 1bua h ILE 43 Cb 0.10 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1bua h ILE 43 CO -0.03 0.11 -0.21 -0.26 -0.69 0.00 0.00 178.15 177.06 1bua h PHE 44 N -0.11 0.00 -0.22 1.37 0.04 -0.59 -1.23 116.94 116.20 1bua h PHE 44 Ca 0.01 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 1bua h PHE 44 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1bua h PHE 44 CO -0.02 0.21 -0.49 0.93 -0.60 0.00 0.00 178.31 178.35 1bua h GLU 45 N 0.00 0.71 -0.27 1.51 3.07 -1.18 -2.33 114.58 116.09 1bua h GLU 45 Ca -0.00 -0.48 -0.13 0.00 -0.50 0.00 0.00 59.36 58.26 1bua h GLU 45 Cb 0.39 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1bua h GLU 45 CO 0.03 1.10 -0.36 -0.07 -1.40 0.00 0.00 179.01 178.31 1bua h LEU 46 N 0.42 0.62 -0.77 1.33 3.38 -0.90 -2.74 115.31 116.65 1bua h LEU 46 Ca 0.00 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1bua h LEU 46 Cb 1.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1bua h LEU 46 CO 0.11 0.92 0.11 0.15 0.09 0.00 0.00 178.44 179.82 1bua h PHE 47 N 0.50 1.10 -0.19 1.13 3.57 -1.24 -3.22 116.94 118.58 1bua h PHE 47 Ca 0.05 -0.14 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 1bua h PHE 47 Cb 0.85 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1bua h PHE 47 CO 0.03 0.92 -0.54 0.77 -2.23 0.00 0.00 178.31 177.27 1bua h SER 48 N 0.98 0.63 -0.75 0.41 0.02 -1.27 -3.37 113.55 110.19 1bua h SER 48 Ca 0.20 -0.33 0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1bua h SER 48 Cb 0.41 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 62.63 1bua h SER 48 CO 0.01 1.05 -0.29 0.03 -1.14 0.00 0.00 176.83 176.49 1bua h ARG 49 N 0.44 -0.06 -0.72 3.45 3.08 -1.50 -1.27 114.38 117.80 1bua h ARG 49 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1bua h ARG 49 Cb 1.09 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1bua h ARG 49 CO 0.10 -0.04 0.37 -1.35 -1.07 0.00 0.00 179.97 177.98 1bua h PRO 50 N -0.06 1.02 0.11 0.04 0.11 -1.76 -1.09 132.00 130.36 1bua h PRO 50 Ca 0.32 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1bua h PRO 50 Cb 0.57 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1bua h PRO 50 CO -0.80 0.78 -0.05 0.82 -0.21 0.00 0.00 178.00 178.54 1bua h ILE 51 N 1.00 0.94 -0.44 4.15 2.04 -1.48 -0.90 117.51 122.80 1bua h ILE 51 Ca 0.25 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1bua h ILE 51 Cb 0.08 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1bua h ILE 51 CO -0.04 0.04 0.21 0.40 0.00 0.00 0.00 178.15 178.76 1bua h ILE 52 N -0.22 0.94 -0.12 -0.67 2.04 -1.16 -1.97 117.51 116.35 1bua h ILE 52 Ca -0.02 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1bua h ILE 52 Cb 0.18 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1bua h ILE 52 CO 0.02 0.08 -0.36 -1.13 0.00 0.00 0.00 178.15 176.77 1bua h ASN 53 N 0.42 0.25 0.03 1.72 -1.24 -1.06 -0.92 115.58 114.77 1bua h ASN 53 Ca 0.20 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1bua h ASN 53 Cb 0.12 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1bua h ASN 53 CO -0.15 0.60 -0.01 0.50 -1.29 0.00 0.00 177.43 177.07 1bua h LYS 54 N 0.21 -0.04 -0.47 6.67 3.64 -0.53 -2.48 116.57 123.58 1bua h LYS 54 Ca 0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1bua h LYS 54 Cb 0.73 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1bua h LYS 54 CO 0.06 0.33 -0.10 0.82 -2.27 0.00 0.00 179.45 178.29 1bua h ILE 55 N -0.41 1.26 0.02 2.00 1.08 -1.29 -2.52 117.51 117.66 1bua h ILE 55 Ca -0.00 -1.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1bua h ILE 55 Cb 0.38 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1bua h ILE 55 CO 0.01 0.41 -0.01 0.00 -0.69 0.00 0.00 178.15 177.86 1bua h ALA 56 N 1.12 -0.03 -0.35 1.87 0.00 -1.18 -2.61 119.26 118.07 1bua h ALA 56 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bua h ALA 56 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1bua h ALA 56 CO 0.04 -0.44 0.23 1.05 0.00 0.00 0.00 179.25 180.12 1bua h GLU 57 N -0.18 0.47 0.00 0.00 -0.00 -1.38 0.84 114.58 114.32 1bua h GLU 57 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1bua h GLU 57 Cb 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1bua h GLU 57 CO 0.00 0.32 0.00 0.36 -0.00 0.00 0.00 179.01 179.69 1bua n LYS 58 N -4.48 0.14 -0.11 1.06 2.85 -0.95 -2.37 118.16 114.31 1bua n LYS 58 Ca 0.02 0.43 0.04 0.00 -1.05 0.00 0.00 58.31 57.75 1bua n LYS 58 Cb 0.07 -1.80 0.10 0.00 -0.65 0.00 0.00 35.03 32.74 1bua n LYS 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1bua n HIS 59 N -2.08 0.29 -0.96 5.58 8.25 0.19 -4.98 115.22 121.52 1bua n HIS 59 Ca 0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1bua n HIS 59 Cb 0.18 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.20 0.48 3.87 -1.41 0.00 -1.00 -5.03 105.19 102.31 1bua n GLY 60 Ca 0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 3.59 0.07 1.61 2.02 -0.63 -4.52 117.35 117.49 1bua s TYR 61 Ca 0.00 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1bua s TYR 61 Cb 0.00 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1bua s TYR 61 CO 0.00 0.57 0.21 0.96 -1.57 0.00 0.00 175.55 175.72 1bua s ILE 62 N -1.33 5.30 -0.06 2.71 -4.36 0.23 -3.81 121.20 119.89 1bua s ILE 62 Ca 0.30 -0.47 0.04 0.00 -0.26 0.00 0.00 60.65 60.26 1bua s ILE 62 Cb -0.14 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 39.94 1bua s ILE 62 CO 0.17 0.11 -0.16 -0.69 0.24 0.00 0.00 174.94 174.60 1bua s VAL 63 N -1.53 2.87 0.00 8.37 1.01 -1.26 -2.06 120.40 127.80 1bua s VAL 63 Ca 0.34 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1bua s VAL 63 Cb -0.13 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1bua s VAL 63 CO 0.28 0.58 -0.10 -1.61 0.00 0.00 0.00 175.10 174.25 1bua s GLU 64 N -0.55 0.77 0.21 2.72 2.02 -0.45 -4.97 118.70 118.45 1bua s GLU 64 Ca 0.08 -0.41 0.08 0.00 0.02 0.00 0.00 54.97 54.73 1bua s GLU 64 Cb -0.11 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 1bua s GLU 64 CO 0.01 0.20 -0.01 -1.21 0.02 0.00 0.00 175.26 174.27 1bua s GLU 65 N -0.41 2.35 0.65 1.61 2.02 -1.26 -0.91 118.70 122.74 1bua s GLU 65 Ca 0.03 -1.22 -0.17 0.00 0.02 0.00 0.00 54.97 53.62 1bua s GLU 65 Cb -0.05 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 1bua s GLU 65 CO -0.00 0.42 1.23 -2.14 0.02 0.00 0.00 175.26 174.79 1bua s PRO 66 N -3.19 2.60 -0.24 0.39 0.02 -1.26 -4.94 135.00 128.38 1bua s PRO 66 Ca 0.28 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 1bua s PRO 66 Cb -0.08 -1.88 -0.18 0.00 0.02 0.00 0.00 34.50 32.38 1bua s PRO 66 CO 0.19 -1.51 -0.15 1.63 -0.33 0.00 0.00 177.00 176.82 1bua n LYS 67 N -2.03 0.66 -3.29 5.54 4.76 -1.26 -4.89 118.16 117.64 1bua n LYS 67 Ca 0.14 0.19 -0.36 0.00 -2.87 0.00 0.00 58.31 55.41 1bua n LYS 67 Cb 0.49 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 32.08 1bua n LYS 67 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1bua s GLN 68 N -2.52 4.05 0.90 1.97 0.00 -1.26 -5.05 119.66 117.75 1bua s GLN 68 Ca -0.34 0.59 -0.12 0.00 -0.00 0.00 0.00 55.36 55.49 1bua s GLN 68 Cb 0.09 -2.93 0.13 0.00 0.00 0.00 0.00 33.01 30.30 1bua s GLN 68 CO 0.61 0.47 1.13 -1.14 0.00 0.00 0.00 175.29 176.36 1bua s GLN 69 N -1.92 1.25 -1.46 9.60 0.74 -1.26 -4.08 119.66 122.53 1bua s GLN 69 Ca 0.38 0.33 -0.09 0.00 0.05 0.00 0.00 55.36 56.03 1bua s GLN 69 Cb -0.16 -1.85 0.04 0.00 1.10 0.00 0.00 33.01 32.15 1bua s GLN 69 CO 0.19 -2.13 0.77 0.09 -0.55 0.00 0.00 175.29 173.67 1bua n ASN 70 N -3.73 -5.32 -4.06 6.67 3.02 -1.26 -4.99 115.26 105.59 1bua n ASN 70 Ca 0.07 -0.47 -0.27 0.00 -0.03 0.00 0.00 54.58 53.87 1bua n ASN 70 Cb 0.59 -4.28 -0.17 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.17 1.77 0.41 3.10 3.76 -1.26 -4.83 115.29 115.07 1bua s HIS 71 Ca 0.46 -0.71 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 1bua s HIS 71 Cb -0.22 -1.26 -0.10 0.00 1.11 0.00 0.00 32.58 32.10 1bua s HIS 71 CO 0.57 -0.35 0.98 -0.47 -0.85 0.00 0.00 174.74 174.62 1bua s TYR 72 N 0.69 3.32 0.45 1.40 5.04 -0.01 -4.62 117.35 123.62 1bua s TYR 72 Ca -0.13 1.64 0.07 0.00 -2.44 0.00 0.00 57.07 56.21 1bua s TYR 72 Cb -0.16 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 1bua s TYR 72 CO 0.03 -0.25 0.34 -1.25 -1.34 0.00 0.00 175.55 173.09 1bua s PRO 73 N -2.87 2.39 0.26 4.97 0.04 -1.26 -0.93 135.00 137.60 1bua s PRO 73 Ca 0.60 -1.72 -0.03 0.00 0.04 0.00 0.00 61.00 59.89 1bua s PRO 73 Cb -0.14 -2.23 0.43 0.00 0.04 0.00 0.00 34.50 32.60 1bua s PRO 73 CO 0.18 -0.28 1.84 -0.44 0.04 0.00 0.00 177.00 178.34 1bua h ASP 74 N 1.05 0.85 -3.45 6.66 3.32 -1.76 -3.39 116.42 119.70 1bua h ASP 74 Ca -0.40 0.03 -0.38 0.00 0.02 0.00 0.00 57.03 56.30 1bua h ASP 74 Cb 1.27 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.34 1bua h ASP 74 CO 0.60 0.50 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.50 1bua s PHE 75 N -6.02 0.52 -0.24 4.55 0.08 -0.71 -4.27 117.98 111.89 1bua s PHE 75 Ca -0.12 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 1bua s PHE 75 Cb 0.20 -0.56 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 1bua s PHE 75 CO 0.80 -0.18 -0.03 0.99 -0.10 0.00 0.00 175.22 176.70 1bua s THR 76 N 1.13 3.34 -0.03 0.64 2.01 -0.09 -1.14 115.64 121.49 1bua s THR 76 Ca -0.08 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1bua s THR 76 Cb -0.14 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1bua s THR 76 CO -0.01 0.31 0.01 -0.76 -0.69 0.00 0.00 174.62 173.47 1bua s LEU 77 N 1.44 3.56 -0.16 4.42 1.02 -0.24 -1.34 118.68 127.38 1bua s LEU 77 Ca 0.04 0.06 -0.32 0.00 0.02 0.00 0.00 54.13 53.93 1bua s LEU 77 Cb -0.15 -1.96 0.14 0.00 0.02 0.00 0.00 46.19 44.23 1bua s LEU 77 CO -0.03 0.32 1.12 -0.72 0.02 0.00 0.00 176.35 177.06 1bua s TYR 78 N -1.02 -0.21 -0.09 0.29 1.13 -0.87 -0.97 117.35 115.61 1bua s TYR 78 Ca 0.17 0.21 -0.12 0.00 -1.41 0.00 0.00 57.07 55.92 1bua s TYR 78 Cb -0.11 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1bua s TYR 78 CO 0.07 -0.28 0.29 0.15 -2.51 0.00 0.00 175.55 173.27 1bua s LYS 79 N -2.15 3.91 0.60 -3.49 1.02 -1.26 -0.60 119.74 117.78 1bua s LYS 79 Ca 0.06 0.14 0.32 0.00 0.02 0.00 0.00 55.97 56.51 1bua s LYS 79 Cb -0.01 -3.29 1.88 0.00 -0.52 0.00 0.00 37.83 35.89 1bua s LYS 79 CO -0.05 0.55 2.24 -1.00 -0.92 0.00 0.00 175.35 176.16 1bua h PRO 80 N 5.52 0.00 -0.34 -1.68 0.13 -1.99 -2.14 132.00 131.51 1bua h PRO 80 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1bua h PRO 80 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bua h PRO 80 CO 0.66 0.00 -0.41 0.66 -0.23 0.00 0.00 178.00 178.68 1bua h SER 81 N 0.00 0.94 -3.59 1.44 4.64 -1.96 -3.38 113.55 111.64 1bua h SER 81 Ca 0.02 -0.49 -0.70 0.00 -0.47 0.00 0.00 61.79 60.15 1bua h SER 81 Cb 0.12 -0.27 -0.35 0.00 -0.31 0.00 0.00 62.40 61.59 1bua h SER 81 CO -0.00 1.24 -0.18 -1.61 -0.87 0.00 0.00 176.83 175.41 1bua s GLU 82 N -4.30 3.06 0.19 4.77 0.41 -0.80 -4.93 118.70 117.09 1bua s GLU 82 Ca -0.11 -3.05 0.25 0.00 -0.41 0.00 0.00 54.97 51.65 1bua s GLU 82 Cb 0.10 -3.89 0.90 0.00 -1.78 0.00 0.00 34.13 29.46 1bua s GLU 82 CO 0.87 -1.24 1.75 -2.30 -0.49 0.00 0.00 175.26 173.85 1bua n PRO 83 N 2.69 0.20 -0.77 0.39 -0.02 -1.25 -2.84 135.00 133.40 1bua n PRO 83 Ca 0.17 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1bua n PRO 83 Cb 0.37 -1.78 0.38 0.00 -0.02 0.00 0.00 33.50 32.45 1bua n PRO 83 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1bua n ASN 84 N -2.13 5.29 -2.47 2.55 3.02 -1.26 -4.19 115.26 116.06 1bua n ASN 84 Ca 0.04 -2.77 -0.18 0.00 -0.03 0.00 0.00 54.58 51.65 1bua n ASN 84 Cb 0.33 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1bua n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bua n LYS 85 N 0.72 2.65 -2.50 3.52 5.02 -1.13 -4.59 118.16 121.84 1bua n LYS 85 Ca 0.27 -3.96 -0.33 0.00 -2.02 0.00 0.00 58.31 52.26 1bua n LYS 85 Cb 1.07 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 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 -3.50 3.86 -0.04 1.97 1.02 -0.56 -4.72 119.74 117.77 1bua s LYS 86 Ca 0.40 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.67 1bua s LYS 86 Cb 0.40 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1bua s LYS 86 CO -0.06 -0.36 -0.25 0.42 -0.92 0.00 0.00 175.35 174.18 1bua s ILE 87 N -2.23 2.04 -0.11 2.17 1.01 -0.14 -0.72 121.20 123.23 1bua s ILE 87 Ca 0.64 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 1bua s ILE 87 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1bua s ILE 87 CO 0.23 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.68 1bua s ALA 88 N -0.42 2.93 -0.07 9.38 0.00 -0.03 -1.08 121.76 132.47 1bua s ALA 88 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1bua s ALA 88 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1bua s ALA 88 CO 0.01 0.39 -0.12 0.42 0.00 0.00 0.00 175.76 176.46 1bua s ILE 89 N -0.20 1.17 -0.03 0.00 1.01 -0.29 -0.16 121.20 122.69 1bua s ILE 89 Ca 0.03 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.23 1bua s ILE 89 Cb -0.13 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1bua s ILE 89 CO 0.03 0.37 -0.17 -0.62 0.00 0.00 0.00 174.94 174.55 1bua s ASP 90 N 0.73 2.05 -0.17 3.58 2.15 -0.71 -1.74 116.67 122.56 1bua s ASP 90 Ca -0.13 -0.33 -0.14 0.00 0.43 0.00 0.00 52.55 52.38 1bua s ASP 90 Cb -0.16 -0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 41.96 1bua s ASP 90 CO 0.03 0.17 0.30 -0.63 -0.17 0.00 0.00 175.17 174.87 1bua s ILE 91 N -0.09 5.29 0.07 4.11 -1.09 -1.26 -0.98 121.20 127.25 1bua s ILE 91 Ca -0.00 0.55 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 1bua s ILE 91 Cb -0.10 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1bua s ILE 91 CO 0.01 0.36 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.34 1bua s LYS 92 N 0.67 1.26 0.02 2.79 -0.14 0.52 -4.94 119.74 119.92 1bua s LYS 92 Ca 0.16 -1.03 0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1bua s LYS 92 Cb -0.13 -1.44 -0.01 0.00 -1.68 0.00 0.00 37.83 34.57 1bua s LYS 92 CO 0.05 0.35 -0.07 0.99 -0.76 0.00 0.00 175.35 175.91 1bua s THR 93 N -0.96 0.49 0.32 2.17 2.01 -1.26 -0.68 115.64 117.73 1bua s THR 93 Ca 0.07 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 1bua s THR 93 Cb -0.09 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 71.95 1bua s THR 93 CO 0.03 -0.10 0.59 0.28 -0.69 0.00 0.00 174.62 174.73 1bua s THR 94 N -0.69 0.00 0.41 -0.82 -1.32 -0.88 -4.89 115.64 107.44 1bua s THR 94 Ca -0.03 -1.30 0.03 0.00 -1.21 0.00 0.00 61.69 59.18 1bua s THR 94 Cb -0.06 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.40 1bua s THR 94 CO 0.00 0.00 0.07 -0.72 -2.21 0.00 0.00 174.62 171.76 1bua s TYR 95 N -3.24 1.92 0.23 9.09 1.13 -1.26 -2.47 117.35 122.75 1bua s TYR 95 Ca 0.21 -1.07 -0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1bua s TYR 95 Cb -0.02 -1.34 -0.03 0.00 -1.10 0.00 0.00 41.96 39.46 1bua s TYR 95 CO 0.13 -0.03 0.20 0.95 -2.51 0.00 0.00 175.55 174.28 1bua s THR 96 N -3.12 0.00 0.00 -3.49 -4.23 0.12 -4.83 115.64 100.08 1bua s THR 96 Ca 0.25 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1bua s THR 96 Cb 0.05 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1bua s THR 96 CO 0.13 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.80 1bua n ASN 97 N -0.55 0.32 0.00 3.99 5.03 -1.26 -1.38 115.26 121.41 1bua n ASN 97 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 1bua n ASN 97 Cb 0.65 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.47 1bua n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1bua n LYS 102 N -0.10 0.00 -3.91 3.52 -0.00 -1.26 -4.96 118.16 111.45 1bua n LYS 102 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 1bua n LYS 102 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 1bua n LYS 102 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bua s ILE 103 N 0.00 1.73 -0.17 0.58 -4.36 0.54 -4.86 121.20 114.65 1bua s ILE 103 Ca 0.00 -1.51 -0.27 0.00 -0.26 0.00 0.00 60.65 58.61 1bua s ILE 103 Cb 0.00 -2.24 0.07 0.00 1.25 0.00 0.00 42.46 41.54 1bua s ILE 103 CO 0.00 0.00 0.69 -1.59 0.24 0.00 0.00 174.94 174.28 1bua s LYS 104 N -4.24 0.92 0.28 0.37 -2.85 -1.26 -2.79 119.74 110.18 1bua s LYS 104 Ca 0.34 0.66 0.10 0.00 -1.00 0.00 0.00 55.97 56.07 1bua s LYS 104 Cb -0.02 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 1bua s LYS 104 CO 0.21 -0.20 -0.06 -0.06 0.10 0.00 0.00 175.35 175.35 1bua s PHE 105 N -0.31 2.56 -0.22 1.78 0.40 -1.26 -4.88 117.98 116.05 1bua s PHE 105 Ca -0.05 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1bua s PHE 105 Cb -0.03 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1bua s PHE 105 CO 0.05 0.63 0.11 0.95 0.70 0.00 0.00 175.22 177.65 1bua s THR 106 N -2.40 4.94 -0.28 0.64 -4.23 -1.26 -1.94 115.64 111.11 1bua s THR 106 Ca 0.31 0.03 0.11 0.00 -1.18 0.00 0.00 61.69 60.97 1bua s THR 106 Cb -0.05 -3.28 0.59 0.00 1.34 0.00 0.00 72.50 71.10 1bua s THR 106 CO 0.18 0.39 1.58 0.18 -0.54 0.00 0.00 174.62 176.41 1bua n LEU 107 N 4.12 4.78 0.00 4.79 4.77 0.15 -4.94 117.00 130.67 1bua n LEU 107 Ca -0.16 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 1bua n LEU 107 Cb 0.52 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1bua n LEU 107 CO 0.34 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1bua n GLY 108 N -0.68 1.97 3.81 -0.72 0.00 -1.26 -4.74 105.19 103.57 1bua n GLY 108 Ca 0.34 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 2.26 0.00 -0.02 0.00 -1.26 0.09 107.32 108.39 1bua s GLY 109 Ca 0.00 0.43 0.16 0.00 0.00 0.00 0.00 44.72 45.30 1bua s GLY 109 CO 0.00 0.73 0.96 1.58 0.00 0.00 0.00 173.10 176.37 1bua n TYR 110 N -1.50 0.00 0.62 1.90 0.18 -0.31 -4.43 117.16 113.61 1bua n TYR 110 Ca 0.08 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.94 1bua n TYR 110 Cb 0.53 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.53 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 0.63 0.00 0.00 -3.48 -2.24 -1.26 -4.55 114.28 103.38 1bua n THR 111 Ca 0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1bua n THR 111 Cb 0.38 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.55 0.00 0.20 3.42 3.41 -1.26 -4.73 113.62 115.21 1bua n SER 112 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1bua n SER 112 Cb 0.35 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.56 0.58 116.94 118.14 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 -1.86 -3.10 117.51 116.50 1bua h ILE 114 Ca 0.06 -0.45 -0.04 0.00 1.55 0.00 0.00 64.86 65.98 1bua h ILE 114 Cb 0.26 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 1bua h ILE 114 CO -0.00 0.00 -1.64 0.54 -1.05 0.00 0.00 178.15 176.00 1bua n ARG 115 N -3.00 0.68 -3.59 0.16 1.74 -0.69 -4.88 116.66 107.07 1bua n ARG 115 Ca 0.01 -0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 1bua n ARG 115 Cb 0.28 -1.31 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 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 -3.68 3.03 0.46 0.55 3.84 0.11 -5.04 114.94 114.21 1bua s ASN 116 Ca -0.05 -1.00 0.38 0.00 0.21 0.00 0.00 52.86 52.40 1bua s ASN 116 Cb 0.08 -0.35 1.30 0.00 -0.55 0.00 0.00 41.25 41.73 1bua s ASN 116 CO 0.54 -0.39 1.23 -3.20 -2.79 0.00 0.00 177.10 172.49 1bua n ASN 117 N 5.23 0.00 -0.20 -4.21 5.15 -1.24 -1.17 115.26 118.82 1bua n ASN 117 Ca -0.06 0.78 0.02 0.00 -0.60 0.00 0.00 54.58 54.72 1bua n ASN 117 Cb 0.45 -0.37 0.03 0.00 -0.53 0.00 0.00 39.78 39.36 1bua n ASN 117 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1bua n THR 118 N -3.44 0.18 -2.88 -0.44 -1.04 -1.26 -0.85 114.28 104.54 1bua n THR 118 Ca 0.33 -0.59 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 1bua n THR 118 Cb 1.58 0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 71.04 1bua n THR 118 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1bua s LYS 119 N -0.50 3.93 -1.49 -2.82 2.20 -0.32 -4.20 119.74 116.55 1bua s LYS 119 Ca 0.06 0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 56.17 1bua s LYS 119 Cb 0.04 -3.75 0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1bua s LYS 119 CO 0.06 -0.77 0.96 0.09 -0.36 0.00 0.00 175.35 175.33 1bua n ASN 120 N 6.41 -4.39 -4.00 1.43 4.13 -1.26 -2.21 115.26 115.36 1bua n ASN 120 Ca 0.05 -0.77 -0.12 0.00 1.68 0.00 0.00 54.58 55.43 1bua n ASN 120 Cb 0.48 -4.01 -0.12 0.00 -1.54 0.00 0.00 39.78 34.59 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 -3.36 0.32 0.19 2.41 2.07 -1.26 -0.83 121.20 120.74 1bua s ILE 121 Ca 0.56 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1bua s ILE 121 Cb -0.28 -0.39 -0.06 0.00 0.13 0.00 0.00 42.46 41.86 1bua s ILE 121 CO 0.82 -0.31 1.49 -0.37 -1.91 0.00 0.00 174.94 174.66 1bua h VAL 122 N 4.69 1.33 -3.96 4.00 -1.51 -1.35 -3.45 116.25 116.00 1bua h VAL 122 Ca -0.32 -1.84 -0.38 0.00 -1.23 0.00 0.00 66.70 62.93 1bua h VAL 122 Cb 1.20 1.82 -0.22 0.00 -2.13 0.00 0.00 31.29 31.97 1bua h VAL 122 CO 0.43 0.57 -0.77 -0.31 -1.23 0.00 0.00 177.57 176.26 1bua s TYR 123 N -3.94 1.05 0.21 5.19 2.02 -1.26 -5.11 117.35 115.51 1bua s TYR 123 Ca -0.07 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 55.86 1bua s TYR 123 Cb 0.11 -0.60 -0.15 0.00 -0.40 0.00 0.00 41.96 40.92 1bua s TYR 123 CO 0.84 0.02 1.13 -2.30 -1.57 0.00 0.00 175.55 173.67 1bua n PRO 124 N 1.40 1.29 -0.40 -1.71 -0.02 -1.26 -4.81 135.00 129.49 1bua n PRO 124 Ca -0.21 0.46 0.33 0.00 -2.02 0.00 0.00 63.50 62.05 1bua n PRO 124 Cb 0.54 -1.93 0.60 0.00 -0.02 0.00 0.00 33.50 32.70 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 3.01 0.58 0.00 6.00 3.57 -1.32 -0.68 116.94 128.10 1bua h PHE 125 Ca -0.42 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1bua h PHE 125 Cb 1.34 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1bua h PHE 125 CO 0.52 -0.15 0.00 0.38 -2.23 0.00 0.00 178.31 176.84 1bua h ASP 126 N 0.17 0.00 0.79 0.41 3.04 -1.87 -2.68 116.42 116.28 1bua h ASP 126 Ca 0.76 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.55 1bua h ASP 126 Cb 2.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.54 1bua h ASP 126 CO -0.41 0.00 -0.09 0.00 -2.04 0.00 0.00 179.24 176.70 1bua n GLN 127 N -2.95 0.14 -3.46 4.15 6.02 -0.26 -4.78 117.38 116.23 1bua n GLN 127 Ca -0.00 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 1bua n GLN 127 Cb 0.22 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.88 3.36 -1.63 1.08 2.02 -1.01 -1.49 117.35 116.80 1bua s TYR 128 Ca 0.17 0.52 0.22 0.00 -0.37 0.00 0.00 57.07 57.61 1bua s TYR 128 Cb 0.19 -2.45 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1bua s TYR 128 CO 0.54 0.02 1.00 0.44 -1.57 0.00 0.00 175.55 175.98 1bua n ILE 129 N 4.29 0.00 -3.67 2.71 -5.35 0.10 -4.90 119.36 112.54 1bua n ILE 129 Ca -0.10 -0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1bua n ILE 129 Cb 0.51 1.16 -0.08 0.00 -1.74 0.00 0.00 39.64 39.49 1bua n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bua s ALA 130 N -2.63 -1.29 -0.31 -1.28 0.00 -1.23 -5.06 121.76 109.96 1bua s ALA 130 Ca 0.14 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.29 1bua s ALA 130 Cb 0.17 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.92 1bua s ALA 130 CO 0.67 -0.28 0.08 -1.01 0.00 0.00 0.00 175.76 175.22 1bua s HIS 131 N -0.39 2.04 0.01 0.00 3.76 -1.26 -0.85 115.29 118.59 1bua s HIS 131 Ca -0.05 -1.91 -0.01 0.00 -0.15 0.00 0.00 55.06 52.93 1bua s HIS 131 Cb -0.03 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1bua s HIS 131 CO 0.03 -0.88 0.16 -1.58 -0.85 0.00 0.00 174.74 171.63 1bua s TRP 132 N 1.50 3.48 -0.16 1.40 0.51 0.77 -0.52 118.94 125.92 1bua s TRP 132 Ca 0.09 0.30 0.00 0.00 -2.12 0.00 0.00 56.10 54.37 1bua s TRP 132 Cb -0.18 -1.79 0.00 0.00 -0.81 0.00 0.00 33.47 30.70 1bua s TRP 132 CO -0.21 0.61 -0.16 0.42 -0.51 0.00 0.00 176.95 177.10 1bua s ILE 133 N -1.34 2.56 -0.42 2.03 -1.09 0.54 -1.73 121.20 121.74 1bua s ILE 133 Ca 0.28 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1bua s ILE 133 Cb -0.13 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.74 1bua s ILE 133 CO 0.20 0.52 0.28 -0.63 -1.23 0.00 0.00 174.94 174.07 1bua s ILE 134 N 0.91 4.61 -0.19 2.92 1.01 -0.15 -1.76 121.20 128.55 1bua s ILE 134 Ca -0.04 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 1bua s ILE 134 Cb -0.15 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1bua s ILE 134 CO -0.02 -0.44 0.16 -0.83 0.00 0.00 0.00 174.94 173.81 1bua s GLY 135 N 2.05 2.07 -0.09 6.18 0.00 -0.73 -0.35 107.32 116.44 1bua s GLY 135 Ca 0.03 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1bua s GLY 135 CO 0.05 0.20 -0.12 -0.19 0.00 0.00 0.00 173.10 173.04 1bua s TYR 136 N 0.38 2.81 -0.08 1.90 2.02 0.14 -2.09 117.35 122.44 1bua s TYR 136 Ca 0.10 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1bua s TYR 136 Cb -0.11 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1bua s TYR 136 CO -0.01 0.03 -0.17 0.08 -1.57 0.00 0.00 175.55 173.91 1bua s VAL 137 N -0.21 1.55 0.05 0.71 1.01 -0.15 -2.07 120.40 121.28 1bua s VAL 137 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1bua s VAL 137 Cb -0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1bua s VAL 137 CO 0.03 0.45 -0.16 -0.72 0.00 0.00 0.00 175.10 174.70 1bua s TYR 138 N 0.55 1.36 -0.30 5.22 -0.85 -1.03 -0.70 117.35 121.60 1bua s TYR 138 Ca -0.16 -0.37 -0.18 0.00 -0.52 0.00 0.00 57.07 55.84 1bua s TYR 138 Cb -0.17 -0.80 -0.02 0.00 0.38 0.00 0.00 41.96 41.35 1bua s TYR 138 CO 0.06 0.06 0.53 0.99 -1.52 0.00 0.00 175.55 175.66 1bua s THR 139 N -0.90 5.03 0.50 -3.49 2.01 -0.67 -0.70 115.64 117.41 1bua s THR 139 Ca 0.03 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 1bua s THR 139 Cb -0.08 -3.89 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1bua s THR 139 CO 0.02 -0.04 0.92 0.00 -0.69 0.00 0.00 174.62 174.82 1bua s ARG 140 N 2.38 3.82 -0.30 4.92 1.70 -0.48 -0.80 118.95 130.20 1bua s ARG 140 Ca 0.21 0.74 -0.16 0.00 -0.47 0.00 0.00 55.73 56.04 1bua s ARG 140 Cb -0.15 -2.21 0.19 0.00 -0.57 0.00 0.00 34.95 32.20 1bua s ARG 140 CO 0.11 -0.25 1.18 0.45 -1.08 0.00 0.00 175.30 175.71 1bua s SER 147 N -3.34 -0.19 -0.37 -2.89 0.15 -1.26 -4.41 113.70 101.39 1bua s SER 147 Ca 0.55 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.54 1bua s SER 147 Cb -0.10 1.04 0.53 0.00 -1.71 0.00 0.00 66.02 65.78 1bua s SER 147 CO 0.36 -0.05 1.75 0.18 1.20 0.00 0.00 173.24 176.68 1bua n LEU 148 N 3.20 6.05 -4.29 3.45 4.77 -1.26 -4.63 117.00 124.29 1bua n LEU 148 Ca -0.17 -3.22 -0.16 0.00 -0.03 0.00 0.00 56.01 52.42 1bua n LEU 148 Cb 0.57 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1bua n LEU 148 CO 0.05 0.96 -0.43 -0.54 -1.33 0.00 0.00 177.39 176.10 1bua s LYS 149 N -2.66 1.17 0.47 3.23 1.02 -1.26 -5.12 119.74 116.61 1bua s LYS 149 Ca 0.46 -1.50 0.04 0.00 0.02 0.00 0.00 55.97 54.99 1bua s LYS 149 Cb 0.38 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1bua s LYS 149 CO 0.08 0.13 0.66 0.95 -0.92 0.00 0.00 175.35 176.26 1bua s THR 150 N -3.08 3.06 0.21 2.17 -4.23 -1.26 -4.26 115.64 108.25 1bua s THR 150 Ca 0.19 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1bua s THR 150 Cb 0.01 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1bua s THR 150 CO 0.03 -0.05 0.15 -0.31 -0.54 0.00 0.00 174.62 173.90 1bua s TYR 151 N -2.54 1.20 0.28 3.99 1.51 -0.01 -4.97 117.35 116.81 1bua s TYR 151 Ca 0.54 -1.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.31 1bua s TYR 151 Cb -0.10 -0.56 -0.05 0.00 -0.11 0.00 0.00 41.96 41.14 1bua s TYR 151 CO 0.36 -0.66 -0.02 0.54 -1.11 0.00 0.00 175.55 174.66 1bua s ASN 152 N -3.17 4.38 0.48 2.29 4.22 -1.26 -1.13 114.94 120.74 1bua s ASN 152 Ca 0.39 -0.75 0.31 0.00 -2.14 0.00 0.00 52.86 50.67 1bua s ASN 152 Cb 0.07 -0.73 1.41 0.00 1.28 0.00 0.00 41.25 43.28 1bua s ASN 152 CO 0.13 -0.04 1.74 0.40 -2.04 0.00 0.00 177.10 177.29 1bua h ILE 153 N 1.90 0.35 0.00 0.54 2.04 -1.98 0.08 117.51 120.45 1bua h ILE 153 Ca -0.43 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1bua h ILE 153 Cb 1.25 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bua h ILE 153 CO 0.61 0.03 0.00 0.78 0.00 0.00 0.00 178.15 179.57 1bua h ASN 154 N 0.14 0.00 -0.61 1.72 4.21 -1.95 -3.15 115.58 115.94 1bua h ASN 154 Ca 0.66 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.17 1bua h ASN 154 Cb 2.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.42 1bua h ASN 154 CO -0.17 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.35 1bua n GLU 155 N -2.49 2.71 -0.34 0.81 1.02 0.02 -4.66 120.64 117.70 1bua n GLU 155 Ca 0.02 -2.48 0.04 0.00 -0.02 0.00 0.00 57.16 54.72 1bua n GLU 155 Cb 0.30 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.34 1bua n GLU 155 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1bua h LEU 156 N 3.82 -0.91 0.00 -4.62 5.85 -1.63 0.39 115.31 118.21 1bua h LEU 156 Ca 0.00 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1bua h LEU 156 Cb 0.93 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1bua h LEU 156 CO 0.00 -0.31 0.00 -0.46 -0.34 0.00 0.00 178.44 177.33 1bua n ASN 157 N -5.59 0.00 -0.17 1.25 2.04 -1.26 -2.55 115.26 108.98 1bua n ASN 157 Ca 0.14 0.28 0.04 0.00 -0.44 0.00 0.00 54.58 54.60 1bua n ASN 157 Cb 0.47 -0.33 -0.01 0.00 -2.53 0.00 0.00 39.78 37.38 1bua n ASN 157 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1bua n GLU 158 N -1.33 2.40 -2.19 -3.83 -0.58 0.13 -4.98 120.64 110.27 1bua n GLU 158 Ca 0.02 -0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 55.84 1bua n GLU 158 Cb 0.04 -1.02 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 1bua n GLU 158 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1bua s ILE 159 N -1.29 3.71 0.21 -3.67 1.01 -1.06 -4.98 121.20 115.13 1bua s ILE 159 Ca 0.07 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 1bua s ILE 159 Cb 0.07 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1bua s ILE 159 CO 0.23 -0.03 1.21 -2.84 0.00 0.00 0.00 174.94 173.51 1bua s PRO 160 N 2.82 4.49 0.07 2.79 0.02 -1.26 -5.04 135.00 138.88 1bua s PRO 160 Ca 0.65 1.91 -0.02 0.00 0.02 0.00 0.00 61.00 63.56 1bua s PRO 160 Cb -0.31 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 1bua s PRO 160 CO 0.26 -0.07 0.25 0.15 -0.33 0.00 0.00 177.00 177.25 1bua s LYS 161 N -0.50 3.49 -0.12 5.54 1.02 -1.26 -4.69 119.74 123.22 1bua s LYS 161 Ca 0.52 -0.33 0.10 0.00 0.02 0.00 0.00 55.97 56.28 1bua s LYS 161 Cb -0.33 -3.01 0.50 0.00 -0.52 0.00 0.00 37.83 34.47 1bua s LYS 161 CO 0.39 0.59 1.30 -0.35 -0.92 0.00 0.00 175.35 176.36 1bua n PRO 162 N 0.38 3.21 -3.87 -1.68 -0.04 -1.26 -4.84 135.00 126.89 1bua n PRO 162 Ca -0.06 -1.94 -0.11 0.00 -0.04 0.00 0.00 63.50 61.35 1bua n PRO 162 Cb 0.51 -1.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.97 -0.00 -0.26 0.54 -0.85 -1.26 -4.69 117.35 108.86 1bua s TYR 163 Ca 0.34 0.02 0.22 0.00 -0.52 0.00 0.00 57.07 57.13 1bua s TYR 163 Cb 0.24 -0.03 -0.08 0.00 0.38 0.00 0.00 41.96 42.48 1bua s TYR 163 CO 0.12 -0.13 0.89 0.36 -1.52 0.00 0.00 175.55 175.27 1bua n LYS 164 N 2.40 0.55 -3.57 -3.49 -0.00 0.02 -5.00 118.16 109.07 1bua n LYS 164 Ca -0.17 0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.08 1bua n LYS 164 Cb 0.58 -1.69 -0.03 0.00 -0.00 0.00 0.00 35.03 33.89 1bua n LYS 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1bua s GLY 165 N -4.25 -0.30 -0.00 2.58 0.00 -1.26 -4.97 107.32 99.12 1bua s GLY 165 Ca -0.02 1.66 -0.00 0.00 0.00 0.00 0.00 44.72 46.36 1bua s GLY 165 CO 0.82 0.65 0.01 0.14 0.00 0.00 0.00 173.10 174.72 1bua s VAL 166 N -2.18 -0.01 0.11 1.40 1.01 -1.26 -1.67 120.40 117.80 1bua s VAL 166 Ca 0.06 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1bua s VAL 166 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 1bua s VAL 166 CO -0.05 0.01 -0.20 -0.54 0.00 0.00 0.00 175.10 174.32 1bua s LYS 167 N 0.13 1.12 0.11 2.72 3.01 0.12 -4.98 119.74 121.97 1bua s LYS 167 Ca -0.01 -1.17 0.00 0.00 -1.01 0.00 0.00 55.97 53.78 1bua s LYS 167 Cb -0.02 -1.34 -0.04 0.00 -1.01 0.00 0.00 37.83 35.43 1bua s LYS 167 CO -0.00 0.31 -0.00 0.54 0.51 0.00 0.00 175.35 176.70 1bua s VAL 168 N -1.27 0.36 0.09 3.17 0.11 -1.26 -0.98 120.40 120.62 1bua s VAL 168 Ca 0.07 -1.90 -0.25 0.00 -2.93 0.00 0.00 61.98 56.96 1bua s VAL 168 Cb -0.09 -1.85 0.07 0.00 -1.53 0.00 0.00 36.38 32.98 1bua s VAL 168 CO 0.04 -0.69 0.66 0.72 -3.33 0.00 0.00 175.10 172.50 1bua s PHE 169 N -3.86 -0.54 -0.06 1.54 -0.12 -0.89 -4.99 117.98 109.07 1bua s PHE 169 Ca 0.17 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.60 1bua s PHE 169 Cb 0.07 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1bua s PHE 169 CO -0.02 -0.76 -0.22 -1.17 -0.05 0.00 0.00 175.22 173.00 1bua s LEU 170 N -2.35 2.01 -0.05 -1.99 0.20 -1.26 -1.78 118.68 113.47 1bua s LEU 170 Ca -0.01 -0.46 -0.31 0.00 0.69 0.00 0.00 54.13 54.04 1bua s LEU 170 Cb -0.01 -1.24 0.07 0.00 -0.43 0.00 0.00 46.19 44.59 1bua s LEU 170 CO -0.07 0.20 0.68 -1.58 -0.29 0.00 0.00 176.35 175.29 1bua s GLN 171 N -0.04 1.06 0.35 1.98 2.00 -0.72 -4.94 119.66 119.35 1bua s GLN 171 Ca -0.05 0.24 -0.28 0.00 -2.00 0.00 0.00 55.36 53.26 1bua s GLN 171 Cb -0.13 0.50 -0.10 0.00 0.80 0.00 0.00 33.01 34.07 1bua s GLN 171 CO 0.04 -0.33 1.35 -0.51 -0.50 0.00 0.00 175.29 175.33 1bua s ASP 172 N -1.24 6.61 0.14 6.67 1.01 -1.26 -0.34 116.67 128.26 1bua s ASP 172 Ca -0.10 2.77 -0.18 0.00 0.71 0.00 0.00 52.55 55.75 1bua s ASP 172 Cb -0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.30 1bua s ASP 172 CO 0.09 -0.66 1.74 0.50 0.21 0.00 0.00 175.17 177.05 1bua h LYS 173 N 3.19 0.17 -0.59 8.23 3.64 -1.13 -2.84 116.57 127.24 1bua h LYS 173 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1bua h LYS 173 Cb 1.23 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1bua h LYS 173 CO 0.65 0.12 0.39 0.11 -2.27 0.00 0.00 179.45 178.44 1bua h TRP 174 N 0.18 0.75 0.00 1.91 5.08 -1.92 -2.30 115.95 119.64 1bua h TRP 174 Ca 0.14 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 60.07 1bua h TRP 174 Cb 0.14 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.04 1bua h TRP 174 CO -0.16 0.48 -0.25 0.28 -1.28 0.00 0.00 178.44 177.51 1bua h VAL 175 N 0.81 0.94 -0.21 0.12 2.07 -1.89 -2.87 116.25 115.21 1bua h VAL 175 Ca 0.22 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1bua h VAL 175 Cb -0.08 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1bua h VAL 175 CO -0.05 0.24 0.00 2.30 0.02 0.00 0.00 177.57 180.09 1bua n ILE 176 N -3.90 0.43 -2.33 4.57 -5.35 -0.91 -3.04 119.36 108.83 1bua n ILE 176 Ca -0.02 -0.72 -0.40 0.00 -0.27 0.00 0.00 62.75 61.35 1bua n ILE 176 Cb 0.33 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 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 -1.14 3.39 0.01 -1.28 0.00 -0.97 -0.88 121.76 120.89 1bua s ALA 177 Ca 0.23 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1bua s ALA 177 Cb 0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1bua s ALA 177 CO 0.20 -0.38 0.02 0.41 0.00 0.00 0.00 175.76 176.01 1bua n GLY 178 N 0.95 2.25 0.30 0.00 0.00 0.27 -4.23 105.19 104.74 1bua n GLY 178 Ca 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.70 1.45 -4.67 1.61 5.75 -1.26 -4.77 116.55 111.95 1bua n ASP 179 Ca 0.00 -1.22 -0.34 0.00 -0.01 0.00 0.00 54.79 53.22 1bua n ASP 179 Cb 0.02 0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.82 3.51 0.63 -2.12 1.43 -1.26 -4.64 118.68 114.40 1bua s LEU 180 Ca 0.11 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 1bua s LEU 180 Cb 0.11 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1bua s LEU 180 CO 0.33 0.33 1.29 0.00 0.23 0.00 0.00 176.35 178.53 1bua n ALA 181 N 1.81 1.17 0.05 4.21 0.00 -1.26 -2.00 120.51 124.49 1bua n ALA 181 Ca -0.17 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1bua n ALA 181 Cb 0.53 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 1bua n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bua h GLY 182 N 0.67 0.00 -2.90 0.00 0.00 0.04 -3.39 103.07 97.49 1bua h GLY 182 Ca -0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1bua h GLY 182 CO 0.53 0.00 -0.18 -1.35 0.00 0.00 0.00 176.54 175.55 1bua s SER 183 N -6.06 -0.09 0.00 0.19 1.04 -1.22 -4.92 113.70 102.64 1bua s SER 183 Ca -0.01 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1bua s SER 183 Cb 0.08 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1bua s SER 183 CO 0.80 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1bua n GLY 184 N -0.21 -0.46 0.25 7.32 0.00 -1.26 -3.69 105.19 107.14 1bua n GLY 184 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.62 1.61 7.08 -2.00 -2.37 115.58 119.28 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 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1bua h ASN 185 CO 0.00 0.16 0.00 0.35 -2.08 0.00 0.00 177.43 175.86 1bua n THR 186 N -3.65 1.98 -3.19 6.14 -2.24 -1.26 -5.00 114.28 107.06 1bua n THR 186 Ca -0.01 -1.19 -0.11 0.00 -2.27 0.00 0.00 64.05 60.47 1bua n THR 186 Cb 0.29 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.99 -1.09 -4.11 4.28 -2.24 -0.89 -4.76 114.28 106.45 1bua n THR 187 Ca 0.26 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.69 1bua n THR 187 Cb 0.94 -0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.88 5.23 0.17 3.42 0.02 -1.24 -1.16 114.94 118.50 1bua s ASN 188 Ca 0.04 -0.16 -0.30 0.00 -1.02 0.00 0.00 52.86 51.43 1bua s ASN 188 Cb -0.02 -1.30 -0.08 0.00 0.02 0.00 0.00 41.25 39.87 1bua s ASN 188 CO 0.33 0.14 1.12 -0.63 0.02 0.00 0.00 177.10 178.07 1bua s ILE 189 N -1.49 3.84 0.11 0.60 1.01 0.11 0.58 121.20 125.95 1bua s ILE 189 Ca 0.28 1.57 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 1bua s ILE 189 Cb -0.11 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1bua s ILE 189 CO 0.20 0.26 0.37 -0.83 0.00 0.00 0.00 174.94 174.95 1bua s GLY 190 N -0.03 2.27 0.68 6.18 0.00 -0.85 -0.67 107.32 114.91 1bua s GLY 190 Ca 0.50 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1bua s GLY 190 CO 0.35 -0.35 0.94 -1.35 0.00 0.00 0.00 173.10 172.68 1bua s SER 191 N -2.11 4.56 0.89 1.64 1.04 -0.82 -0.56 113.70 118.34 1bua s SER 191 Ca 0.37 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1bua s SER 191 Cb -0.13 -0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.02 1bua s SER 191 CO 0.21 -1.70 1.13 0.27 0.98 0.00 0.00 173.24 174.13 1bua s ILE 192 N -3.03 2.41 -0.61 -1.02 -4.36 -0.06 -4.13 121.20 110.41 1bua s ILE 192 Ca 0.64 0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 61.13 1bua s ILE 192 Cb -0.06 -2.29 0.16 0.00 1.25 0.00 0.00 42.46 41.51 1bua s ILE 192 CO 0.43 -0.18 0.43 -2.28 0.24 0.00 0.00 174.94 173.59 1bua s HIS 193 N -2.72 3.45 0.03 1.37 5.65 -1.26 -4.53 115.29 117.29 1bua s HIS 193 Ca 0.65 -2.61 0.01 0.00 0.25 0.00 0.00 55.06 53.36 1bua s HIS 193 Cb -0.21 -3.25 -0.00 0.00 -1.18 0.00 0.00 32.58 27.93 1bua s HIS 193 CO 0.58 -0.87 0.03 0.00 -0.65 0.00 0.00 174.74 173.83 1bua n ALA 194 N 3.69 0.06 -2.35 1.58 0.00 -1.12 -4.88 120.51 117.49 1bua n ALA 194 Ca 0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1bua n ALA 194 Cb 0.39 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.40 3.43 0.31 0.00 3.76 -1.26 -0.34 115.29 118.79 1bua s HIS 195 Ca 0.04 0.91 0.04 0.00 -0.15 0.00 0.00 55.06 55.90 1bua s HIS 195 Cb 0.00 -2.30 0.80 0.00 1.11 0.00 0.00 32.58 32.19 1bua s HIS 195 CO 0.03 0.16 1.53 0.98 -0.85 0.00 0.00 174.74 176.59 1bua n TYR 196 N -0.54 0.67 -0.23 1.40 9.36 -1.26 -0.26 117.16 126.31 1bua n TYR 196 Ca 0.01 1.18 0.04 0.00 3.32 0.00 0.00 57.90 62.44 1bua n TYR 196 Cb 0.53 -1.26 0.15 0.00 -0.63 0.00 0.00 39.34 38.12 1bua n TYR 196 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1bua h LYS 197 N 0.00 0.19 -0.41 2.98 1.79 -2.00 -0.48 116.57 118.64 1bua h LYS 197 Ca 0.61 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.05 1bua h LYS 197 Cb 1.31 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1bua h LYS 197 CO -0.90 0.12 0.16 -0.44 -1.08 0.00 0.00 179.45 177.31 1bua h ASP 198 N 0.19 0.52 -0.30 0.86 3.32 -1.01 -0.92 116.42 119.08 1bua h ASP 198 Ca 0.38 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1bua h ASP 198 Cb 0.63 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1bua h ASP 198 CO -0.53 0.48 -0.21 -0.26 -1.72 0.00 0.00 179.24 177.01 1bua h PHE 199 N 0.58 0.78 0.04 4.55 -1.00 -1.07 0.35 116.94 121.17 1bua h PHE 199 Ca 0.14 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1bua h PHE 199 Cb 0.12 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1bua h PHE 199 CO 0.01 0.92 -0.02 0.28 -1.61 0.00 0.00 178.31 177.89 1bua h VAL 200 N 0.41 0.99 0.00 -0.55 2.07 -0.77 -2.92 116.25 115.50 1bua h VAL 200 Ca 0.06 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1bua h VAL 200 Cb 0.75 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1bua h VAL 200 CO 0.06 0.02 -0.54 -0.33 0.02 0.00 0.00 177.57 176.81 1bua h GLU 201 N -0.09 0.00 -1.07 1.57 5.08 -1.16 -3.48 114.58 115.42 1bua h GLU 201 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bua h GLU 201 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1bua h GLU 201 CO 0.01 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 1bua n GLY 202 N 0.06 0.52 3.11 -3.84 0.00 0.11 -5.00 105.19 100.14 1bua n GLY 202 Ca -0.01 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.54 3.66 -0.30 1.61 5.02 -0.30 -4.94 118.16 122.37 1bua n LYS 203 Ca 0.00 -3.85 0.00 0.00 -2.02 0.00 0.00 58.31 52.44 1bua n LYS 203 Cb 0.28 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 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 2.97 0.63 0.02 0.72 0.00 -1.17 -4.94 105.19 103.41 1bua n GLY 204 Ca 0.36 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.79 0.23 -2.77 -0.61 -5.35 -1.26 -5.04 119.36 103.77 1bua n ILE 205 Ca 0.00 -0.21 -0.40 0.00 -0.27 0.00 0.00 62.75 61.87 1bua n ILE 205 Cb 0.00 -0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.27 3.96 0.20 4.28 0.08 -1.26 -4.97 117.98 117.99 1bua s PHE 206 Ca -0.03 1.89 -0.05 0.00 0.12 0.00 0.00 56.93 58.86 1bua s PHE 206 Cb 0.03 -2.96 0.14 0.00 -0.57 0.00 0.00 43.02 39.65 1bua s PHE 206 CO 0.25 0.45 1.58 -0.44 -0.10 0.00 0.00 175.22 176.96 1bua h ASP 207 N 4.09 0.78 -5.43 1.36 3.32 -1.96 -3.47 116.42 115.12 1bua h ASP 207 Ca -0.45 -0.32 -0.20 0.00 0.02 0.00 0.00 57.03 56.07 1bua h ASP 207 Cb 1.20 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 1bua h ASP 207 CO 0.68 1.04 -0.17 -0.94 -1.72 0.00 0.00 179.24 178.12 1bua s SER 208 N -6.81 0.56 0.20 6.45 1.04 -1.26 -5.03 113.70 108.86 1bua s SER 208 Ca -0.09 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.03 1bua s SER 208 Cb 0.12 0.64 0.13 0.00 0.10 0.00 0.00 66.02 67.01 1bua s SER 208 CO 0.84 -1.25 1.48 -0.08 0.98 0.00 0.00 173.24 175.22 1bua h GLU 209 N 2.17 0.31 -0.88 4.02 4.81 -1.93 -1.71 114.58 121.38 1bua h GLU 209 Ca -0.28 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1bua h GLU 209 Cb 1.24 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1bua h GLU 209 CO 0.39 0.88 0.50 0.22 -0.73 0.00 0.00 179.01 180.27 1bua h ASP 210 N 0.22 1.08 -0.27 1.04 3.58 -1.99 0.55 116.42 120.62 1bua h ASP 210 Ca -0.02 -0.08 -0.17 0.00 0.42 0.00 0.00 57.03 57.18 1bua h ASP 210 Cb 1.23 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1bua h ASP 210 CO 0.11 0.85 -0.49 -0.08 -2.88 0.00 0.00 179.24 176.75 1bua h GLU 211 N 1.22 0.82 -0.22 0.28 4.81 -1.93 -1.33 114.58 118.23 1bua h GLU 211 Ca 0.31 -0.51 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1bua h GLU 211 Cb -0.00 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1bua h GLU 211 CO -0.05 1.15 -0.05 0.35 -0.73 0.00 0.00 179.01 179.68 1bua h PHE 212 N 0.58 -0.10 -0.51 0.92 3.57 -0.73 -0.86 116.94 119.81 1bua h PHE 212 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1bua h PHE 212 Cb 1.10 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1bua h PHE 212 CO 0.08 -0.09 0.17 -0.07 -2.23 0.00 0.00 178.31 176.17 1bua h LEU 213 N 0.01 0.73 -0.31 0.59 3.38 -0.86 -2.63 115.31 116.22 1bua h LEU 213 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1bua h LEU 213 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bua h LEU 213 CO -0.22 0.73 0.08 -0.78 0.09 0.00 0.00 178.44 178.34 1bua h ASP 214 N 0.69 0.46 -0.19 -0.43 3.58 -1.04 -1.19 116.42 118.30 1bua h ASP 214 Ca 0.17 -0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.43 1bua h ASP 214 Cb 0.25 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1bua h ASP 214 CO -0.01 0.57 -0.09 0.22 -2.88 0.00 0.00 179.24 177.05 1bua h TYR 215 N 0.33 -0.20 0.00 0.28 5.03 -1.10 -2.70 116.97 118.61 1bua h TYR 215 Ca 0.10 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.36 1bua h TYR 215 Cb 0.28 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 1bua h TYR 215 CO 0.01 -0.14 -0.31 -1.49 -1.32 0.00 0.00 178.16 174.92 1bua h TRP 216 N -0.06 0.00 0.00 -3.82 4.06 -1.38 -1.72 115.95 113.03 1bua h TRP 216 Ca 0.10 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 1bua h TRP 216 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1bua h TRP 216 CO -0.24 0.31 -0.04 0.00 -3.56 0.00 0.00 178.44 174.90 1bua h ARG 217 N 0.00 0.00 -0.06 0.49 3.08 -1.01 -3.23 114.38 113.65 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 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1bua h ARG 217 CO 0.04 0.04 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 1bua n ASN 218 N -3.13 1.82 -4.71 7.04 3.02 -1.04 -5.00 115.26 113.26 1bua n ASN 218 Ca 0.02 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.69 1bua n ASN 218 Cb 0.44 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1bua n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bua s TYR 219 N -0.68 3.07 0.24 3.10 5.04 -0.67 -5.01 117.35 122.45 1bua s TYR 219 Ca 0.10 0.85 -0.20 0.00 -2.44 0.00 0.00 57.07 55.37 1bua s TYR 219 Cb 0.06 -3.71 -0.08 0.00 0.35 0.00 0.00 41.96 38.57 1bua s TYR 219 CO 0.09 -2.58 0.75 -1.21 -1.34 0.00 0.00 175.55 171.26 1bua s GLU 220 N 1.54 4.28 0.16 4.97 0.41 -1.26 -5.02 118.70 123.78 1bua s GLU 220 Ca 0.66 0.92 -0.16 0.00 -0.41 0.00 0.00 54.97 55.98 1bua s GLU 220 Cb -0.36 -2.85 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1bua s GLU 220 CO 0.30 0.37 1.80 0.00 -0.49 0.00 0.00 175.26 177.24 1bua h ARG 221 N 3.34 0.47 -6.28 1.61 3.08 -1.96 -3.44 114.38 111.21 1bua h ARG 221 Ca -0.48 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 58.96 1bua h ARG 221 Cb 1.19 -0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.02 1bua h ARG 221 CO 0.65 0.31 -0.68 0.95 -1.07 0.00 0.00 179.97 180.14 1bua s THR 222 N -6.16 3.30 0.57 2.04 -4.23 -1.26 -5.01 115.64 104.89 1bua s THR 222 Ca -0.13 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 58.77 1bua s THR 222 Cb 0.11 -2.72 0.33 0.00 1.34 0.00 0.00 72.50 71.56 1bua s THR 222 CO 0.72 -0.29 2.20 0.77 -0.54 0.00 0.00 174.62 177.49 1bua h SER 223 N 2.26 0.00 0.82 3.99 4.64 -1.98 -1.02 113.55 122.25 1bua h SER 223 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1bua h SER 223 Cb 1.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1bua h SER 223 CO 0.58 0.00 -0.39 1.56 -0.87 0.00 0.00 176.83 177.71 1bua h GLN 224 N 0.00 -1.06 -0.25 4.77 7.50 -1.97 0.14 115.11 124.24 1bua h GLN 224 Ca 0.01 0.07 0.02 0.00 0.50 0.00 0.00 58.65 59.26 1bua h GLN 224 Cb 0.07 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1bua h GLN 224 CO -0.00 -0.69 0.17 -0.07 -1.50 0.00 0.00 178.83 176.74 1bua h LEU 225 N -1.19 0.21 0.02 1.46 -0.00 -1.85 -3.09 115.31 110.86 1bua h LEU 225 Ca -0.11 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.56 1bua h LEU 225 Cb 0.85 -0.05 0.02 0.00 -0.00 0.00 0.00 40.66 41.48 1bua h LEU 225 CO 0.18 0.15 -0.82 0.03 -0.00 0.00 0.00 178.44 177.98 1bua h ARG 226 N 0.24 0.52 -0.01 1.13 3.08 -0.80 -3.32 114.38 115.23 1bua h ARG 226 Ca 0.10 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1bua h ARG 226 Cb 0.11 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1bua h ARG 226 CO -0.02 1.21 0.34 -0.91 -1.07 0.00 0.00 179.97 179.52 1bua h ASN 227 N 0.07 0.00 -0.39 7.04 -0.26 -0.65 0.48 115.58 121.87 1bua h ASN 227 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1bua h ASN 227 Cb 1.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.78 1bua h ASN 227 CO 0.16 0.00 0.00 -0.90 -1.06 0.00 0.00 177.43 175.63 1bua n ASP 228 N -2.91 3.34 0.00 5.81 3.85 -1.25 -4.79 116.55 120.61 1bua n ASP 228 Ca -0.02 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1bua n ASP 228 Cb 0.39 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1bua n ASP 228 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1bua n LYS 229 N 1.41 0.00 -3.60 0.11 4.81 0.16 -5.16 118.16 115.89 1bua n LYS 229 Ca 0.19 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.49 1bua n LYS 229 Cb 0.59 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.57 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 0.00 -0.73 -0.01 5.64 -0.85 -0.58 -4.77 117.35 116.05 1bua s TYR 230 Ca 0.00 1.65 0.00 0.00 -0.52 0.00 0.00 57.07 58.20 1bua s TYR 230 Cb 0.00 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.65 1bua s TYR 230 CO 0.00 -0.44 0.01 0.09 -1.52 0.00 0.00 175.55 173.69 1bua n ASN 231 N 2.13 0.37 -2.61 -0.18 3.02 -1.26 -4.76 115.26 111.97 1bua n ASN 231 Ca -0.15 -0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 1bua n ASN 231 Cb 0.56 1.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.72 1bua n ASN 231 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bua n ASN 232 N -1.04 -1.41 -0.07 6.41 0.23 -1.26 -4.75 115.26 113.37 1bua n ASN 232 Ca 0.00 -2.50 -0.09 0.00 -0.53 0.00 0.00 54.58 51.45 1bua n ASN 232 Cb 0.00 2.49 -0.02 0.00 -2.08 0.00 0.00 39.78 40.18 1bua n ASN 232 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1bua h ILE 233 N 1.84 1.06 -0.11 1.53 6.09 -1.98 -1.56 117.51 124.37 1bua h ILE 233 Ca -0.25 -0.12 0.03 0.00 -1.37 0.00 0.00 64.86 63.16 1bua h ILE 233 Cb 1.01 0.68 -0.04 0.00 0.47 0.00 0.00 36.82 38.94 1bua h ILE 233 CO 0.33 0.06 -0.10 0.28 -3.07 0.00 0.00 178.15 175.65 1bua h SER 234 N 0.35 -0.31 -0.24 2.19 0.02 -1.99 -0.28 113.55 113.29 1bua h SER 234 Ca 0.10 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1bua h SER 234 Cb -0.03 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1bua h SER 234 CO -0.03 -0.13 0.13 -0.33 -1.14 0.00 0.00 176.83 175.33 1bua h GLU 235 N -0.11 0.37 -0.26 3.45 5.08 -1.91 -1.35 114.58 119.85 1bua h GLU 235 Ca 0.08 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1bua h GLU 235 Cb 0.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1bua h GLU 235 CO -0.18 0.30 -0.26 -0.92 -1.00 0.00 0.00 179.01 176.94 1bua h TYR 236 N 0.38 0.76 -0.52 4.33 3.20 -0.42 0.15 116.97 124.85 1bua h TYR 236 Ca 0.10 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1bua h TYR 236 Cb 0.05 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1bua h TYR 236 CO 0.00 0.95 0.24 0.00 -1.64 0.00 0.00 178.16 177.71 1bua h ARG 237 N 0.35 0.73 -0.31 1.82 3.08 -0.27 -1.57 114.38 118.21 1bua h ARG 237 Ca 0.04 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1bua h ARG 237 Cb 0.83 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1bua h ARG 237 CO 0.06 0.57 -0.51 -0.97 -1.07 0.00 0.00 179.97 178.06 1bua h ASN 238 N 0.73 0.98 -0.66 7.04 -0.73 -1.12 -2.26 115.58 119.56 1bua h ASN 238 Ca 0.18 -0.52 0.05 0.00 1.87 0.00 0.00 56.30 57.89 1bua h ASN 238 Cb 0.09 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.36 1bua h ASN 238 CO -0.02 1.31 0.44 -0.25 -0.37 0.00 0.00 177.43 178.54 1bua h TRP 239 N 0.68 0.70 -0.19 0.67 7.01 -0.37 0.52 115.95 124.97 1bua h TRP 239 Ca 0.02 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 1bua h TRP 239 Cb 1.12 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1bua h TRP 239 CO 0.07 0.39 -0.28 0.82 -2.79 0.00 0.00 178.44 176.64 1bua h ILE 240 N 0.71 1.34 -0.27 2.65 2.04 -1.02 0.49 117.51 123.44 1bua h ILE 240 Ca 0.28 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.69 1bua h ILE 240 Cb 0.21 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1bua h ILE 240 CO -0.09 0.46 -0.02 0.22 0.00 0.00 0.00 178.15 178.72 1bua h TYR 241 N 0.20 -0.05 0.00 1.37 3.20 -0.64 -0.39 116.97 120.66 1bua h TYR 241 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1bua h TYR 241 Cb 0.86 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1bua h TYR 241 CO 0.09 -0.06 0.02 0.54 -1.64 0.00 0.00 178.16 177.11 1bua n ARG 242 N -5.18 0.03 -0.42 1.82 1.74 0.06 -4.77 116.66 109.94 1bua n ARG 242 Ca -0.01 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1bua n ARG 242 Cb 0.15 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1bua n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bua n GLY 243 N -1.44 1.32 3.83 -0.13 0.00 -0.16 -5.08 105.19 103.54 1bua n GLY 243 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1bua n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86