#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ma1 s LYS 5 N 0.00 2.41 0.02 3.49 -0.14 -1.26 -5.08 119.74 119.19 1ma1 s LYS 5 Ca 0.00 0.41 -0.02 0.00 -1.36 0.00 0.00 55.97 55.00 1ma1 s LYS 5 Cb 0.00 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 34.16 1ma1 s LYS 5 CO 0.00 -1.34 0.01 0.21 -0.76 0.00 0.00 175.35 173.47 1ma1 s LYS 6 N -5.36 0.41 0.22 1.68 2.20 -1.26 -5.17 119.74 112.46 1ma1 s LYS 6 Ca 0.60 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1ma1 s LYS 6 Cb -0.12 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 1ma1 s LYS 6 CO 0.52 -0.08 0.11 -0.06 -0.36 0.00 0.00 175.35 175.48 1ma1 s PHE 7 N -1.90 1.32 0.29 4.03 0.08 -1.26 -5.13 117.98 115.41 1ma1 s PHE 7 Ca -0.12 -1.28 -0.21 0.00 0.12 0.00 0.00 56.93 55.44 1ma1 s PHE 7 Cb -0.06 -0.71 -0.09 0.00 -0.57 0.00 0.00 43.02 41.59 1ma1 s PHE 7 CO -0.02 -0.49 0.82 0.71 -0.10 0.00 0.00 175.22 176.13 1ma1 s TYR 8 N -3.97 3.59 0.07 0.36 2.02 -1.26 -5.08 117.35 113.07 1ma1 s TYR 8 Ca 0.38 1.51 0.05 0.00 -0.37 0.00 0.00 57.07 58.64 1ma1 s TYR 8 Cb 0.07 -2.73 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1ma1 s TYR 8 CO 0.12 0.21 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.97 1ma1 s GLU 9 N -2.27 0.77 -0.08 -0.62 2.02 -1.26 -4.95 118.70 112.30 1ma1 s GLU 9 Ca 0.49 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 1ma1 s GLU 9 Cb -0.15 -0.74 -0.06 0.00 0.10 0.00 0.00 34.13 33.27 1ma1 s GLU 9 CO 0.20 0.16 1.95 -1.17 0.02 0.00 0.00 175.26 176.42 1ma1 s LEU 10 N -1.73 4.06 0.48 1.80 2.96 -1.26 -4.96 118.68 120.03 1ma1 s LEU 10 Ca -0.03 2.24 -0.22 0.00 -0.22 0.00 0.00 54.13 55.90 1ma1 s LEU 10 Cb -0.10 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.99 1ma1 s LEU 10 CO 0.02 -1.32 1.11 -2.16 -1.32 0.00 0.00 176.35 172.67 1ma1 s PRO 11 N 4.97 3.73 0.54 0.98 0.04 -1.26 -5.00 135.00 139.00 1ma1 s PRO 11 Ca 0.87 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 63.31 1ma1 s PRO 11 Cb -0.36 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1ma1 s PRO 11 CO 0.37 -0.54 1.19 -1.21 0.04 0.00 0.00 177.00 176.85 1ma1 s GLU 12 N -2.93 3.31 0.53 4.56 2.02 -1.26 -5.02 118.70 119.90 1ma1 s GLU 12 Ca 0.66 1.78 -0.21 0.00 0.02 0.00 0.00 54.97 57.22 1ma1 s GLU 12 Cb -0.24 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 1ma1 s GLU 12 CO 0.28 -0.93 1.24 -0.51 0.02 0.00 0.00 175.26 175.37 1ma1 s LEU 13 N -3.67 3.86 0.00 1.80 1.02 -1.26 -4.92 118.68 115.51 1ma1 s LEU 13 Ca 0.72 2.49 0.08 0.00 0.02 0.00 0.00 54.13 57.44 1ma1 s LEU 13 Cb -0.29 -4.35 0.49 0.00 0.02 0.00 0.00 46.19 42.06 1ma1 s LEU 13 CO 0.33 -1.33 0.92 -2.65 0.02 0.00 0.00 176.35 173.64 1ma1 n PRO 14 N -0.98 0.43 -3.56 1.29 -0.02 -1.26 -4.83 135.00 126.06 1ma1 n PRO 14 Ca 0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 1ma1 n PRO 14 Cb 0.47 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 1ma1 n PRO 14 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ma1 s TYR 15 N -2.00 -0.22 0.74 6.00 -0.85 -1.26 -5.11 117.35 114.64 1ma1 s TYR 15 Ca 0.12 0.13 -0.13 0.00 -0.52 0.00 0.00 57.07 56.67 1ma1 s TYR 15 Cb 0.06 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.97 1ma1 s TYR 15 CO 0.10 -0.36 1.12 -1.25 -1.52 0.00 0.00 175.55 173.64 1ma1 s PRO 16 N -2.74 2.31 0.05 -3.49 0.04 -1.26 -4.88 135.00 125.04 1ma1 s PRO 16 Ca 0.08 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1ma1 s PRO 16 Cb -0.01 -1.89 0.38 0.00 0.04 0.00 0.00 34.50 33.02 1ma1 s PRO 16 CO -0.06 -1.63 1.26 0.66 0.04 0.00 0.00 177.00 177.26 1ma1 n TYR 17 N -3.04 0.13 -0.26 0.56 4.01 -1.26 -0.10 117.16 117.21 1ma1 n TYR 17 Ca 0.11 0.06 0.07 0.00 -0.16 0.00 0.00 57.90 57.97 1ma1 n TYR 17 Cb 0.52 -0.60 0.18 0.00 -0.31 0.00 0.00 39.34 39.13 1ma1 n TYR 17 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1ma1 n ASP 18 N -1.63 3.15 0.16 7.72 5.75 -1.26 -3.77 116.55 126.66 1ma1 n ASP 18 Ca 0.01 -2.07 0.13 0.00 -0.01 0.00 0.00 54.79 52.84 1ma1 n ASP 18 Cb 0.07 -0.29 0.56 0.00 -1.03 0.00 0.00 41.12 40.43 1ma1 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ma1 h ALA 19 N 2.32 1.00 -0.07 2.12 0.00 -0.84 -3.09 119.26 120.70 1ma1 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ma1 h ALA 19 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ma1 h ALA 19 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ma1 n LEU 20 N -2.36 1.84 -4.76 0.00 4.77 -1.26 -3.92 117.00 111.31 1ma1 n LEU 20 Ca 0.01 -1.39 -0.34 0.00 -0.03 0.00 0.00 56.01 54.25 1ma1 n LEU 20 Cb 0.18 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1ma1 n LEU 20 CO 0.18 0.42 0.78 -1.61 -1.33 0.00 0.00 177.39 175.84 1ma1 s GLU 21 N -0.66 2.86 0.00 3.23 2.02 -1.04 -1.44 118.70 123.67 1ma1 s GLU 21 Ca 0.08 1.61 0.18 0.00 0.02 0.00 0.00 54.97 56.87 1ma1 s GLU 21 Cb 0.05 -1.94 0.77 0.00 0.10 0.00 0.00 34.13 33.11 1ma1 s GLU 21 CO 0.07 -1.24 1.54 -0.35 0.02 0.00 0.00 175.26 175.30 1ma1 n PRO 22 N -2.00 1.50 -0.05 0.39 -0.04 -1.26 -4.81 135.00 128.74 1ma1 n PRO 22 Ca 0.12 -0.76 -0.14 0.00 -0.04 0.00 0.00 63.50 62.68 1ma1 n PRO 22 Cb 0.51 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 1ma1 n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ma1 h HIS 23 N 1.48 0.05 -3.26 0.54 3.86 -1.70 -3.41 115.15 112.72 1ma1 h HIS 23 Ca 0.00 -0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.51 1ma1 h HIS 23 Cb 0.33 -0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.49 1ma1 h HIS 23 CO 0.08 0.96 -0.81 0.42 0.86 0.00 0.00 177.93 179.45 1ma1 s ILE 24 N -2.51 2.63 0.73 2.45 1.01 -0.52 -4.95 121.20 120.03 1ma1 s ILE 24 Ca -0.18 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 1ma1 s ILE 24 Cb -0.02 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1ma1 s ILE 24 CO 0.70 0.51 1.07 -0.94 0.00 0.00 0.00 174.94 176.28 1ma1 s SER 25 N 0.95 5.12 0.23 3.58 1.04 -1.26 -2.49 113.70 120.85 1ma1 s SER 25 Ca -0.03 1.53 -0.08 0.00 0.48 0.00 0.00 55.95 57.86 1ma1 s SER 25 Cb -0.15 -2.37 0.20 0.00 0.10 0.00 0.00 66.02 63.80 1ma1 s SER 25 CO -0.02 -1.60 1.87 -0.09 0.98 0.00 0.00 173.24 174.38 1ma1 h ARG 26 N -0.83 1.17 0.13 4.02 2.43 -1.91 -0.31 114.38 119.08 1ma1 h ARG 26 Ca -0.45 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 1ma1 h ARG 26 Cb 1.23 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1ma1 h ARG 26 CO 0.57 0.82 -0.06 1.49 -1.51 0.00 0.00 179.97 181.28 1ma1 h GLU 27 N 1.19 -0.17 -0.59 0.20 4.81 -1.92 -1.24 114.58 116.86 1ma1 h GLU 27 Ca 0.31 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 1ma1 h GLU 27 Cb -0.05 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1ma1 h GLU 27 CO -0.06 -0.05 0.25 0.37 -0.73 0.00 0.00 179.01 178.79 1ma1 h GLN 28 N -0.25 0.45 -0.28 1.92 5.75 -1.81 -2.42 115.11 118.46 1ma1 h GLN 28 Ca -0.02 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.29 1ma1 h GLN 28 Cb 0.20 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1ma1 h GLN 28 CO 0.03 0.29 -0.47 1.25 -2.65 0.00 0.00 178.83 177.28 1ma1 h LEU 29 N 0.46 0.83 -0.23 -2.39 6.46 -0.96 -2.76 115.31 116.71 1ma1 h LEU 29 Ca 0.29 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 1ma1 h LEU 29 Cb 0.30 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1ma1 h LEU 29 CO -0.26 1.17 -0.13 0.74 -0.62 0.00 0.00 178.44 179.34 1ma1 h THR 30 N 0.60 1.31 -0.01 1.05 2.02 -0.75 -1.75 112.91 115.38 1ma1 h THR 30 Ca 0.03 -1.22 -0.22 0.00 0.77 0.00 0.00 66.41 65.78 1ma1 h THR 30 Cb 1.04 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1ma1 h THR 30 CO 0.10 0.38 -0.91 -0.29 0.37 0.00 0.00 175.52 175.17 1ma1 h ILE 31 N 0.21 1.41 -0.48 3.11 2.10 -1.55 0.34 117.51 122.65 1ma1 h ILE 31 Ca 0.05 -2.44 0.07 0.00 1.08 0.00 0.00 64.86 63.63 1ma1 h ILE 31 Cb 0.64 2.39 -0.06 0.00 -1.09 0.00 0.00 36.82 38.70 1ma1 h ILE 31 CO 0.04 0.73 0.14 -0.74 -1.08 0.00 0.00 178.15 177.23 1ma1 h HIS 32 N 0.22 0.23 -0.05 2.19 2.76 -1.43 -0.44 115.15 118.62 1ma1 h HIS 32 Ca -0.07 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 1ma1 h HIS 32 Cb 1.53 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1ma1 h HIS 32 CO 0.05 0.05 -0.16 1.25 -1.30 0.00 0.00 177.93 177.82 1ma1 h HIS 33 N 0.29 0.25 0.00 5.26 -0.00 -1.24 -1.95 115.15 117.76 1ma1 h HIS 33 Ca 0.24 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1ma1 h HIS 33 Cb 0.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1ma1 h HIS 33 CO -0.19 0.79 -1.24 1.04 -0.00 0.00 0.00 177.93 178.32 1ma1 n GLN 34 N -4.60 0.62 -0.09 5.26 6.02 0.10 -3.08 117.38 121.61 1ma1 n GLN 34 Ca -0.08 0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1ma1 n GLN 34 Cb 0.41 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 1ma1 n GLN 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ma1 n LYS 35 N -2.64 0.53 -0.02 -1.09 4.76 -0.19 -4.41 118.16 115.10 1ma1 n LYS 35 Ca -0.03 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.58 1ma1 n LYS 35 Cb 0.60 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 32.24 1ma1 n LYS 35 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ma1 h HIS 36 N -1.00 -0.07 -1.00 2.13 3.86 -1.42 -1.14 115.15 116.51 1ma1 h HIS 36 Ca -0.09 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1ma1 h HIS 36 Cb 1.03 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.45 1ma1 h HIS 36 CO -0.36 0.47 0.65 1.25 0.86 0.00 0.00 177.93 180.79 1ma1 h HIS 37 N -0.94 1.20 -0.79 2.45 -0.00 -1.39 0.21 115.15 115.89 1ma1 h HIS 37 Ca -0.01 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1ma1 h HIS 37 Cb 0.57 -0.39 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 1ma1 h HIS 37 CO 0.14 0.63 0.50 0.37 -0.00 0.00 0.00 177.93 179.57 1ma1 h GLN 38 N 1.18 0.94 -0.51 5.26 5.75 -1.57 -2.12 115.11 124.04 1ma1 h GLN 38 Ca 0.42 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.91 1ma1 h GLN 38 Cb 0.14 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1ma1 h GLN 38 CO -0.17 0.62 0.34 0.00 -2.65 0.00 0.00 178.83 176.98 1ma1 h ALA 39 N 1.34 1.79 -0.06 3.38 0.00 0.74 -0.65 119.26 125.79 1ma1 h ALA 39 Ca 0.32 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 1ma1 h ALA 39 Cb 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ma1 h ALA 39 CO -0.12 0.15 -0.90 1.88 0.00 0.00 0.00 179.25 180.26 1ma1 h TYR 40 N 0.56 0.89 -0.21 0.00 0.05 -0.83 0.16 116.97 117.58 1ma1 h TYR 40 Ca 0.21 -0.44 0.06 0.00 0.05 0.00 0.00 58.73 58.60 1ma1 h TYR 40 Cb 0.15 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.71 1ma1 h TYR 40 CO -0.00 1.26 -0.19 0.28 -1.05 0.00 0.00 178.16 178.46 1ma1 h VAL 41 N 0.39 0.49 -0.35 -2.88 2.07 -0.95 0.16 116.25 115.18 1ma1 h VAL 41 Ca -0.08 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1ma1 h VAL 41 Cb 1.53 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1ma1 h VAL 41 CO 0.17 0.00 -0.28 0.44 0.02 0.00 0.00 177.57 177.93 1ma1 h ASP 42 N -0.20 0.75 0.13 0.57 3.32 -1.02 -1.11 116.42 118.86 1ma1 h ASP 42 Ca 0.13 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ma1 h ASP 42 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ma1 h ASP 42 CO -0.33 0.98 -0.11 1.23 -1.72 0.00 0.00 179.24 179.29 1ma1 h GLY 43 N 0.97 -0.25 1.17 2.75 0.00 -0.46 -0.09 103.07 107.17 1ma1 h GLY 43 Ca 0.08 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1ma1 h GLY 43 CO 0.06 -0.12 0.10 0.00 0.00 0.00 0.00 176.54 176.59 1ma1 h ALA 44 N 0.59 1.00 -0.32 3.60 0.00 -0.81 -2.63 119.26 120.69 1ma1 h ALA 44 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1ma1 h ALA 44 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ma1 h ALA 44 CO -0.02 0.64 -0.20 -0.91 0.00 0.00 0.00 179.25 178.75 1ma1 h ASN 45 N 0.96 0.74 -0.92 0.00 2.35 -1.02 -1.27 115.58 116.42 1ma1 h ASN 45 Ca 0.19 -0.43 0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1ma1 h ASN 45 Cb 0.41 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 1ma1 h ASN 45 CO 0.01 1.01 0.59 0.00 -1.65 0.00 0.00 177.43 177.39 1ma1 h ALA 46 N 0.75 1.58 -0.02 -0.83 0.00 -0.85 -0.95 119.26 118.94 1ma1 h ALA 46 Ca 0.07 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1ma1 h ALA 46 Cb 0.75 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ma1 h ALA 46 CO 0.06 0.24 -1.00 1.25 0.00 0.00 0.00 179.25 179.80 1ma1 h LEU 47 N 0.95 0.86 -0.35 0.00 5.85 -1.28 -1.54 115.31 119.80 1ma1 h LEU 47 Ca 0.42 -0.68 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1ma1 h LEU 47 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1ma1 h LEU 47 CO -0.18 1.48 0.14 -0.07 -0.34 0.00 0.00 178.44 179.46 1ma1 h LEU 48 N 0.39 0.17 -0.58 2.25 3.38 -0.65 -1.05 115.31 119.22 1ma1 h LEU 48 Ca -0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ma1 h LEU 48 Cb 1.65 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 1ma1 h LEU 48 CO 0.19 0.14 0.31 0.03 0.09 0.00 0.00 178.44 179.20 1ma1 h ARG 49 N 0.30 0.82 -0.41 1.13 3.08 -1.08 -0.41 114.38 117.82 1ma1 h ARG 49 Ca 0.16 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1ma1 h ARG 49 Cb 0.11 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1ma1 h ARG 49 CO -0.14 0.64 0.04 -0.22 -1.07 0.00 0.00 179.97 179.22 1ma1 h LYS 50 N 0.79 0.16 -0.27 0.04 3.64 -0.89 0.14 116.57 120.18 1ma1 h LYS 50 Ca 0.20 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1ma1 h LYS 50 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ma1 h LYS 50 CO -0.03 0.10 -0.38 -0.07 -2.27 0.00 0.00 179.45 176.81 1ma1 h LEU 51 N 0.16 0.65 -0.19 5.20 3.38 -0.84 -2.07 115.31 121.60 1ma1 h LEU 51 Ca 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ma1 h LEU 51 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ma1 h LEU 51 CO -0.30 0.96 0.12 0.44 0.09 0.00 0.00 178.44 179.75 1ma1 h ASP 52 N 0.51 0.23 -0.64 -0.43 3.32 -0.58 -2.20 116.42 116.63 1ma1 h ASP 52 Ca 0.05 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1ma1 h ASP 52 Cb 0.88 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.32 1ma1 h ASP 52 CO 0.08 0.20 0.34 -0.33 -1.72 0.00 0.00 179.24 177.80 1ma1 h GLU 53 N 0.23 0.60 -0.24 3.56 5.08 -0.56 -0.11 114.58 123.14 1ma1 h GLU 53 Ca 0.07 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ma1 h GLU 53 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ma1 h GLU 53 CO -0.01 0.39 -0.14 0.00 -1.00 0.00 0.00 179.01 178.25 1ma1 h ALA 54 N 1.35 1.32 -0.11 3.43 0.00 -1.18 -1.19 119.26 122.89 1ma1 h ALA 54 Ca 0.30 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1ma1 h ALA 54 Cb 0.22 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ma1 h ALA 54 CO -0.20 0.46 -0.83 0.00 0.00 0.00 0.00 179.25 178.68 1ma1 h ARG 55 N 0.37 0.70 -0.23 0.00 3.08 -0.72 0.34 114.38 117.92 1ma1 h ARG 55 Ca 0.07 -0.61 -0.12 0.00 0.07 0.00 0.00 59.98 59.39 1ma1 h ARG 55 Cb 0.47 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1ma1 h ARG 55 CO 0.03 1.22 -0.36 0.93 -1.07 0.00 0.00 179.97 180.72 1ma1 h GLU 56 N 0.46 0.51 -0.35 0.04 5.08 -0.70 -2.55 114.58 117.07 1ma1 h GLU 56 Ca -0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ma1 h GLU 56 Cb 1.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1ma1 h GLU 56 CO 0.16 0.80 0.00 -1.13 -1.00 0.00 0.00 179.01 177.84 1ma1 n SER 57 N -4.05 2.61 -4.25 1.42 3.41 -0.48 -4.94 113.62 107.34 1ma1 n SER 57 Ca -0.01 -1.90 -0.34 0.00 -0.26 0.00 0.00 58.87 56.36 1ma1 n SER 57 Cb 0.48 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1ma1 n SER 57 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ma1 n ASP 58 N 0.93 -1.66 -4.85 4.04 2.03 -0.07 -4.96 116.55 112.02 1ma1 n ASP 58 Ca 0.18 -1.10 -0.21 0.00 0.52 0.00 0.00 54.79 54.17 1ma1 n ASP 58 Cb 0.46 -2.40 -0.04 0.00 -0.72 0.00 0.00 41.12 38.42 1ma1 n ASP 58 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ma1 s THR 59 N -3.61 2.79 0.37 5.18 -4.23 1.00 -5.00 115.64 112.13 1ma1 s THR 59 Ca 0.48 -1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1ma1 s THR 59 Cb -0.27 -3.03 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 1ma1 s THR 59 CO 0.95 -0.04 0.92 -1.81 -0.54 0.00 0.00 174.62 174.10 1ma1 s ASP 60 N -4.06 7.08 0.22 3.99 1.11 -1.26 -4.65 116.67 119.10 1ma1 s ASP 60 Ca 0.45 1.70 0.07 0.00 0.18 0.00 0.00 52.55 54.95 1ma1 s ASP 60 Cb -0.03 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 1ma1 s ASP 60 CO 0.27 -0.22 -0.11 0.68 1.18 0.00 0.00 175.17 176.97 1ma1 s VAL 61 N -1.92 1.65 -0.96 -1.27 -7.23 -1.26 -5.02 120.40 104.40 1ma1 s VAL 61 Ca 0.56 -2.17 -0.24 0.00 -1.81 0.00 0.00 61.98 58.32 1ma1 s VAL 61 Cb -0.13 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.69 1ma1 s VAL 61 CO 0.18 -0.52 1.58 -0.62 -0.31 0.00 0.00 175.10 175.41 1ma1 s ASP 62 N -3.34 6.09 0.33 4.85 3.68 -1.26 -4.84 116.67 122.18 1ma1 s ASP 62 Ca 0.24 -1.13 0.19 0.00 2.13 0.00 0.00 52.55 53.98 1ma1 s ASP 62 Cb 0.01 -2.57 0.17 0.00 -1.45 0.00 0.00 42.92 39.08 1ma1 s ASP 62 CO 0.08 -1.88 1.46 0.16 0.13 0.00 0.00 175.17 175.12 1ma1 h ILE 63 N 6.87 0.41 0.37 4.11 3.07 -1.98 -1.26 117.51 129.11 1ma1 h ILE 63 Ca 0.13 -1.60 -0.00 0.00 1.55 0.00 0.00 64.86 64.93 1ma1 h ILE 63 Cb 1.02 2.16 -0.02 0.00 -0.27 0.00 0.00 36.82 39.70 1ma1 h ILE 63 CO 1.36 0.24 -0.39 0.50 -1.05 0.00 0.00 178.15 178.81 1ma1 h LYS 64 N 0.00 -0.75 -0.45 0.16 3.64 -1.99 0.17 116.57 117.35 1ma1 h LYS 64 Ca -0.01 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1ma1 h LYS 64 Cb 1.20 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1ma1 h LYS 64 CO 0.03 -0.50 0.27 0.00 -2.27 0.00 0.00 179.45 176.98 1ma1 h ALA 65 N -0.37 0.57 -0.05 5.00 0.00 -1.94 -1.76 119.26 120.71 1ma1 h ALA 65 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ma1 h ALA 65 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ma1 h ALA 65 CO -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 1ma1 h ALA 66 N 1.20 0.01 -0.06 0.00 0.00 -1.06 -1.44 119.26 117.91 1ma1 h ALA 66 Ca 0.18 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ma1 h ALA 66 Cb 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ma1 h ALA 66 CO -0.08 -0.51 -0.60 -0.07 0.00 0.00 0.00 179.25 177.99 1ma1 h LEU 67 N -0.03 0.24 -0.14 0.00 3.38 -0.58 0.21 115.31 118.39 1ma1 h LEU 67 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ma1 h LEU 67 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ma1 h LEU 67 CO -0.07 0.78 0.07 0.11 0.09 0.00 0.00 178.44 179.42 1ma1 h LYS 68 N 0.16 0.20 -0.65 1.13 1.57 -1.15 -0.84 116.57 116.98 1ma1 h LYS 68 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ma1 h LYS 68 Cb 1.10 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1ma1 h LYS 68 CO 0.09 0.25 0.23 1.49 -0.57 0.00 0.00 179.45 180.94 1ma1 h GLU 69 N 0.10 1.00 -0.83 3.15 4.81 -1.03 -2.60 114.58 119.19 1ma1 h GLU 69 Ca 0.05 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1ma1 h GLU 69 Cb 0.12 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1ma1 h GLU 69 CO -0.01 0.86 0.49 1.25 -0.73 0.00 0.00 179.01 180.87 1ma1 h LEU 70 N 0.93 1.00 -1.10 1.64 5.85 -0.36 -1.57 115.31 121.70 1ma1 h LEU 70 Ca 0.21 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1ma1 h LEU 70 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ma1 h LEU 70 CO -0.01 0.78 -0.29 0.77 -0.34 0.00 0.00 178.44 179.35 1ma1 h SER 71 N 1.14 0.27 0.22 1.25 4.64 -0.98 -1.10 113.55 118.99 1ma1 h SER 71 Ca 0.29 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1ma1 h SER 71 Cb -0.03 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1ma1 h SER 71 CO -0.05 0.56 -0.11 0.15 -0.87 0.00 0.00 176.83 176.51 1ma1 h PHE 72 N 0.24 -0.28 -0.06 4.77 3.57 -0.93 -1.74 116.94 122.51 1ma1 h PHE 72 Ca 0.03 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.28 1ma1 h PHE 72 Cb 0.65 0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.49 1ma1 h PHE 72 CO 0.01 -0.02 -0.92 0.45 -2.23 0.00 0.00 178.31 175.60 1ma1 h HIS 73 N -0.52 0.99 -0.24 0.41 3.86 -1.19 -0.58 115.15 117.88 1ma1 h HIS 73 Ca -0.03 -0.49 -0.14 0.00 -1.16 0.00 0.00 60.37 58.55 1ma1 h HIS 73 Cb 0.39 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1ma1 h HIS 73 CO -0.00 1.32 -0.43 0.28 0.86 0.00 0.00 177.93 179.97 1ma1 h VAL 74 N 0.43 1.30 -0.22 2.45 2.07 -1.31 0.25 116.25 121.22 1ma1 h VAL 74 Ca -0.09 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1ma1 h VAL 74 Cb 1.56 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1ma1 h VAL 74 CO 0.18 0.51 0.14 1.23 0.02 0.00 0.00 177.57 179.65 1ma1 h GLY 75 N 1.04 0.31 0.01 2.17 0.00 -1.31 0.25 103.07 105.53 1ma1 h GLY 75 Ca 0.04 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1ma1 h GLY 75 CO 0.08 0.12 -0.23 -1.33 0.00 0.00 0.00 176.54 175.18 1ma1 h GLY 76 N 0.28 -0.04 0.79 4.60 0.00 -0.73 -0.77 103.07 107.20 1ma1 h GLY 76 Ca 0.08 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1ma1 h GLY 76 CO -0.02 -0.20 -0.14 -1.82 0.00 0.00 0.00 176.54 174.36 1ma1 h TYR 77 N -0.18 -0.37 -0.41 5.60 3.20 -0.11 -2.41 116.97 122.29 1ma1 h TYR 77 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1ma1 h TYR 77 Cb 0.46 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1ma1 h TYR 77 CO -0.45 -0.22 0.21 0.28 -1.64 0.00 0.00 178.16 176.35 1ma1 h VAL 78 N -0.30 1.16 -0.43 1.81 2.07 -0.36 -1.84 116.25 118.37 1ma1 h VAL 78 Ca 0.01 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1ma1 h VAL 78 Cb 0.30 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ma1 h VAL 78 CO -0.06 0.17 -0.16 -0.07 0.02 0.00 0.00 177.57 177.47 1ma1 h LEU 79 N 0.53 0.88 -1.26 2.57 3.38 -1.13 -2.25 115.31 118.03 1ma1 h LEU 79 Ca 0.14 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ma1 h LEU 79 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ma1 h LEU 79 CO -0.02 1.07 -0.01 0.45 0.09 0.00 0.00 178.44 180.02 1ma1 h HIS 80 N 0.69 0.51 -0.01 1.13 3.86 -1.40 -0.02 115.15 119.91 1ma1 h HIS 80 Ca 0.10 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1ma1 h HIS 80 Cb 0.71 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 1ma1 h HIS 80 CO 0.05 0.51 0.01 1.25 0.86 0.00 0.00 177.93 180.61 1ma1 h LEU 81 N 0.48 0.02 -0.98 2.43 5.85 -0.81 -2.00 115.31 120.30 1ma1 h LEU 81 Ca 0.10 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1ma1 h LEU 81 Cb 0.32 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ma1 h LEU 81 CO 0.01 0.04 -0.51 -0.26 -0.34 0.00 0.00 178.44 177.38 1ma1 h PHE 82 N -0.01 0.01 0.66 1.25 -1.00 -1.23 -3.00 116.94 113.62 1ma1 h PHE 82 Ca 0.00 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1ma1 h PHE 82 Cb 0.02 -0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1ma1 h PHE 82 CO -0.07 0.51 -0.32 0.35 -1.61 0.00 0.00 178.31 177.18 1ma1 h PHE 83 N 0.00 -0.82 -0.99 -0.55 3.57 -0.63 -1.36 116.94 116.17 1ma1 h PHE 83 Ca -0.00 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.60 1ma1 h PHE 83 Cb 0.90 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 1ma1 h PHE 83 CO 0.00 -0.50 0.62 -1.49 -2.23 0.00 0.00 178.31 174.71 1ma1 h TRP 84 N -0.91 1.09 0.00 0.41 -0.00 -1.42 -2.34 115.95 112.78 1ma1 h TRP 84 Ca -0.09 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.74 1ma1 h TRP 84 Cb 0.68 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1ma1 h TRP 84 CO -0.02 0.42 -0.43 0.78 -0.00 0.00 0.00 178.44 179.19 1ma1 h GLY 85 N 0.94 0.00 -3.33 1.49 0.00 -1.30 -2.91 103.07 97.96 1ma1 h GLY 85 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.42 1ma1 h GLY 85 CO -0.26 0.00 0.40 1.16 0.00 0.00 0.00 176.54 177.84 1ma1 n ASN 86 N -3.78 3.31 -4.42 0.19 2.04 -0.55 -4.84 115.26 107.20 1ma1 n ASN 86 Ca -0.01 -3.67 -0.21 0.00 -0.44 0.00 0.00 54.58 50.24 1ma1 n ASN 86 Cb 0.49 -0.77 -0.10 0.00 -2.53 0.00 0.00 39.78 36.87 1ma1 n ASN 86 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1ma1 s MET 87 N -3.28 1.53 0.12 -3.83 -1.94 -1.10 -1.10 119.30 109.70 1ma1 s MET 87 Ca 0.53 -1.73 -0.16 0.00 -1.71 0.00 0.00 55.69 52.62 1ma1 s MET 87 Cb 0.45 -1.34 0.05 0.00 2.01 0.00 0.00 34.83 36.01 1ma1 s MET 87 CO 0.07 0.17 0.75 0.41 -0.01 0.00 0.00 175.02 176.40 1ma1 n GLY 88 N -0.54 0.76 3.58 -0.03 0.00 -0.12 -4.64 105.19 104.20 1ma1 n GLY 88 Ca -0.06 -1.08 -0.47 0.00 0.00 0.00 0.00 46.02 44.41 1ma1 n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ma1 n PRO 89 N -0.53 1.23 0.02 1.61 -0.02 -1.25 -4.63 135.00 131.44 1ma1 n PRO 89 Ca -0.01 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 1ma1 n PRO 89 Cb 0.41 -1.88 0.46 0.00 -0.02 0.00 0.00 33.50 32.47 1ma1 n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ma1 h ALA 90 N 2.85 1.77 -0.01 3.55 0.00 -1.77 -0.76 119.26 124.89 1ma1 h ALA 90 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ma1 h ALA 90 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ma1 h ALA 90 CO 0.67 0.20 -0.02 -0.40 0.00 0.00 0.00 179.25 179.70 1ma1 n ASP 91 N -4.48 0.54 -0.03 0.00 5.68 -1.26 -2.64 116.55 114.36 1ma1 n ASP 91 Ca 0.03 -1.05 0.02 0.00 -0.50 0.00 0.00 54.79 53.29 1ma1 n ASP 91 Cb 0.09 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 1ma1 n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ma1 n GLU 92 N -0.64 4.70 -0.56 0.11 1.02 -0.41 -5.08 120.64 119.78 1ma1 n GLU 92 Ca 0.20 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ma1 n GLU 92 Cb 0.22 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1ma1 n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ma1 n GLY 94 N 1.72 -0.03 7.00 0.00 0.00 0.23 -4.83 105.19 109.29 1ma1 n GLY 94 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1ma1 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ma1 n GLY 95 N 0.00 0.48 3.45 -0.02 0.00 -1.26 -4.72 105.19 103.12 1ma1 n GLY 95 Ca 0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1ma1 n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ma1 s GLU 96 N 0.00 1.62 0.83 1.61 -1.05 -1.26 -5.02 118.70 115.43 1ma1 s GLU 96 Ca 0.00 -1.84 -0.12 0.00 -0.15 0.00 0.00 54.97 52.86 1ma1 s GLU 96 Cb 0.00 -1.20 0.09 0.00 -0.44 0.00 0.00 34.13 32.58 1ma1 s GLU 96 CO 0.00 0.01 1.12 -1.25 0.95 0.00 0.00 175.26 176.08 1ma1 s PRO 97 N -3.74 1.82 0.29 -4.83 0.04 -1.26 -5.01 135.00 122.30 1ma1 s PRO 97 Ca 0.31 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.87 1ma1 s PRO 97 Cb 0.05 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1ma1 s PRO 97 CO 0.13 -1.77 0.16 -1.13 0.04 0.00 0.00 177.00 174.43 1ma1 n SER 98 N -3.51 0.44 0.00 6.66 3.41 -1.26 -4.60 113.62 114.77 1ma1 n SER 98 Ca 0.07 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1ma1 n SER 98 Cb 0.58 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1ma1 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ma1 n GLY 99 N -0.26 -0.12 0.29 5.00 0.00 -1.26 -3.32 105.19 105.53 1ma1 n GLY 99 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1ma1 n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ma1 h LYS 100 N 0.00 0.90 -0.48 1.61 1.57 -1.99 -1.38 116.57 116.79 1ma1 h LYS 100 Ca 0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1ma1 h LYS 100 Cb 0.00 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 1ma1 h LYS 100 CO 0.00 0.59 0.11 1.25 -0.57 0.00 0.00 179.45 180.83 1ma1 h LEU 101 N 0.93 0.03 -0.67 2.94 5.85 -1.93 0.26 115.31 122.72 1ma1 h LEU 101 Ca 0.31 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.17 1ma1 h LEU 101 Cb 0.04 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1ma1 h LEU 101 CO -0.12 0.05 0.37 0.00 -0.34 0.00 0.00 178.44 178.39 1ma1 h ALA 102 N 1.37 0.89 -0.65 1.25 0.00 -1.28 -0.04 119.26 120.80 1ma1 h ALA 102 Ca 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1ma1 h ALA 102 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ma1 h ALA 102 CO -0.30 0.04 0.16 0.93 0.00 0.00 0.00 179.25 180.08 1ma1 h GLU 103 N 0.68 1.04 -0.38 0.00 5.08 -0.21 -2.18 114.58 118.60 1ma1 h GLU 103 Ca 0.30 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1ma1 h GLU 103 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ma1 h GLU 103 CO -0.19 0.93 -0.30 1.88 -1.00 0.00 0.00 179.01 180.33 1ma1 h TYR 104 N 0.96 0.97 -0.75 4.33 -1.99 -0.17 -2.01 116.97 118.32 1ma1 h TYR 104 Ca 0.20 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1ma1 h TYR 104 Cb 0.35 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 1ma1 h TYR 104 CO 0.03 1.03 0.34 0.82 -0.00 0.00 0.00 178.16 180.38 1ma1 h ILE 105 N 0.71 1.24 0.21 -2.88 2.04 -0.87 0.11 117.51 118.07 1ma1 h ILE 105 Ca 0.08 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1ma1 h ILE 105 Cb 0.85 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1ma1 h ILE 105 CO 0.07 0.29 -0.10 -0.33 0.00 0.00 0.00 178.15 178.09 1ma1 h GLU 106 N 1.07 -0.27 -0.02 2.37 5.08 -1.27 -0.35 114.58 121.18 1ma1 h GLU 106 Ca 0.26 0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1ma1 h GLU 106 Cb 0.14 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ma1 h GLU 106 CO -0.03 -0.16 -0.73 1.57 -1.00 0.00 0.00 179.01 178.67 1ma1 h LYS 107 N -0.32 0.15 0.03 2.33 2.10 -1.09 0.93 116.57 120.71 1ma1 h LYS 107 Ca -0.03 -0.13 -0.28 0.00 -2.00 0.00 0.00 60.65 58.21 1ma1 h LYS 107 Cb 0.25 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 1ma1 h LYS 107 CO 0.05 0.81 -1.49 -0.44 -2.00 0.00 0.00 179.45 176.38 1ma1 h ASP 108 N 0.10 0.10 0.00 7.07 3.32 -1.05 -3.39 116.42 122.57 1ma1 h ASP 108 Ca -0.02 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ma1 h ASP 108 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ma1 h ASP 108 CO 0.11 1.13 -0.51 0.49 -1.72 0.00 0.00 179.24 178.74 1ma1 n PHE 109 N -3.23 0.00 0.00 4.55 3.01 -0.14 -5.01 117.46 116.63 1ma1 n PHE 109 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1ma1 n PHE 109 Cb 1.02 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 1ma1 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ma1 n GLY 110 N 1.31 2.55 3.67 1.37 0.00 0.32 -4.61 105.19 109.80 1ma1 n GLY 110 Ca 0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1ma1 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ma1 s SER 111 N 0.17 -0.37 0.21 1.61 1.04 -1.25 -4.82 113.70 110.29 1ma1 s SER 111 Ca 0.00 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 1ma1 s SER 111 Cb 0.00 0.65 0.21 0.00 0.10 0.00 0.00 66.02 66.98 1ma1 s SER 111 CO 0.00 -1.14 1.85 0.15 0.98 0.00 0.00 173.24 175.08 1ma1 h PHE 112 N 2.00 0.87 -0.19 5.02 3.57 -1.92 -2.48 116.94 123.82 1ma1 h PHE 112 Ca -0.25 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.32 1ma1 h PHE 112 Cb 1.27 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1ma1 h PHE 112 CO 0.34 0.49 -0.12 0.93 -2.23 0.00 0.00 178.31 177.73 1ma1 h GLU 113 N 0.90 -0.11 -0.23 1.11 3.07 -1.96 0.26 114.58 117.62 1ma1 h GLU 113 Ca 0.30 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.21 1ma1 h GLU 113 Cb 0.03 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 1ma1 h GLU 113 CO -0.12 -0.08 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.31 1ma1 h ARG 114 N -0.12 0.05 0.01 2.33 9.65 -1.82 -0.02 114.38 124.46 1ma1 h ARG 114 Ca 0.11 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1ma1 h ARG 114 Cb 0.28 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 1ma1 h ARG 114 CO -0.26 0.03 -0.29 0.35 2.80 0.00 0.00 179.97 182.60 1ma1 h PHE 115 N 0.05 -0.78 -0.96 2.20 3.57 -0.95 0.44 116.94 120.50 1ma1 h PHE 115 Ca 0.11 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.81 1ma1 h PHE 115 Cb 0.15 0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 1ma1 h PHE 115 CO -0.21 -0.38 0.61 -0.09 -2.23 0.00 0.00 178.31 176.01 1ma1 h ARG 116 N -0.44 0.69 0.03 1.11 2.43 0.08 0.17 114.38 118.45 1ma1 h ARG 116 Ca 0.06 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1ma1 h ARG 116 Cb 0.52 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1ma1 h ARG 116 CO -0.24 0.46 -0.30 -0.22 -1.51 0.00 0.00 179.97 178.15 1ma1 h LYS 117 N 0.71 0.15 -0.50 0.20 3.64 -0.32 -1.53 116.57 118.92 1ma1 h LYS 117 Ca 0.51 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1ma1 h LYS 117 Cb 0.85 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 1ma1 h LYS 117 CO -0.28 1.02 0.31 0.93 -2.27 0.00 0.00 179.45 179.17 1ma1 h GLU 118 N -0.63 0.61 -0.44 1.90 5.08 -0.36 0.44 114.58 121.19 1ma1 h GLU 118 Ca -0.05 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1ma1 h GLU 118 Cb 1.16 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1ma1 h GLU 118 CO 0.06 0.41 0.10 0.35 -1.00 0.00 0.00 179.01 178.92 1ma1 h PHE 119 N 0.63 0.67 -0.31 4.33 3.57 -0.73 -0.55 116.94 124.56 1ma1 h PHE 119 Ca 0.19 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 1ma1 h PHE 119 Cb -0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1ma1 h PHE 119 CO -0.05 0.59 -0.44 0.77 -2.23 0.00 0.00 178.31 176.94 1ma1 h SER 120 N 0.64 0.87 -0.52 0.41 0.02 -0.55 -2.06 113.55 112.36 1ma1 h SER 120 Ca 0.15 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1ma1 h SER 120 Cb 0.26 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1ma1 h SER 120 CO -0.00 1.19 0.11 1.56 -1.14 0.00 0.00 176.83 178.55 1ma1 h GLN 121 N 0.65 0.90 -0.97 3.45 4.20 -0.41 0.50 115.11 123.43 1ma1 h GLN 121 Ca 0.04 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.58 1ma1 h GLN 121 Cb 1.02 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 1ma1 h GLN 121 CO 0.10 0.83 0.63 0.00 -0.67 0.00 0.00 178.83 179.72 1ma1 h ALA 122 N 1.26 1.27 0.16 3.87 0.00 -0.90 -0.24 119.26 124.69 1ma1 h ALA 122 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ma1 h ALA 122 Cb 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ma1 h ALA 122 CO 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1ma1 h ALA 123 N 1.39 -0.22 -0.77 0.00 0.00 -1.05 -3.29 119.26 115.33 1ma1 h ALA 123 Ca 0.38 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ma1 h ALA 123 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ma1 h ALA 123 CO -0.11 -0.33 0.32 0.82 0.00 0.00 0.00 179.25 179.94 1ma1 h ILE 124 N -0.79 1.25 -0.01 0.00 2.04 -0.76 -3.05 117.51 116.19 1ma1 h ILE 124 Ca -0.02 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1ma1 h ILE 124 Cb 0.53 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1ma1 h ILE 124 CO 0.04 0.32 -0.07 -1.54 0.00 0.00 0.00 178.15 176.89 1ma1 n SER 125 N -4.29 0.79 -4.72 1.72 3.41 -0.11 -4.88 113.62 105.54 1ma1 n SER 125 Ca 0.07 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1ma1 n SER 125 Cb 0.17 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1ma1 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ma1 s ALA 126 N -2.23 3.82 -0.62 7.33 0.00 -1.16 -4.89 121.76 124.02 1ma1 s ALA 126 Ca 0.35 1.46 -0.28 0.00 0.00 0.00 0.00 51.96 53.49 1ma1 s ALA 126 Cb 0.21 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1ma1 s ALA 126 CO 0.41 -0.84 1.24 -1.21 0.00 0.00 0.00 175.76 175.36 1ma1 s GLU 127 N 0.91 3.41 3.44 0.00 2.02 -1.26 -4.81 118.70 122.41 1ma1 s GLU 127 Ca 0.70 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1ma1 s GLU 127 Cb -0.46 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 29.70 1ma1 s GLU 127 CO 0.34 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 174.20 1ma1 n GLY 128 N 5.16 0.08 3.75 -1.39 0.00 -1.26 -4.85 105.19 106.69 1ma1 n GLY 128 Ca 0.08 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1ma1 n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ma1 s SER 129 N -4.00 6.78 0.00 1.61 0.01 -1.26 -4.72 113.70 112.12 1ma1 s SER 129 Ca 0.00 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.87 1ma1 s SER 129 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1ma1 s SER 129 CO 0.00 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1ma1 n GLY 130 N 1.57 -0.76 3.09 3.44 0.00 -1.26 -0.88 105.19 110.39 1ma1 n GLY 130 Ca 0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1ma1 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ma1 s TRP 131 N -3.00 0.11 -0.17 1.61 0.52 0.14 -0.83 118.94 117.32 1ma1 s TRP 131 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 56.10 55.76 1ma1 s TRP 131 Cb 0.00 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.19 1ma1 s TRP 131 CO 0.00 -0.29 0.09 0.00 0.02 0.00 0.00 176.95 176.76 1ma1 s ALA 132 N -1.70 3.55 -0.05 0.98 0.00 -0.98 -1.04 121.76 122.52 1ma1 s ALA 132 Ca -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1ma1 s ALA 132 Cb -0.06 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1ma1 s ALA 132 CO -0.00 0.28 -0.05 0.08 0.00 0.00 0.00 175.76 176.06 1ma1 s VAL 133 N 0.05 0.58 0.07 0.00 1.01 -0.64 -0.75 120.40 120.71 1ma1 s VAL 133 Ca 0.07 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 1ma1 s VAL 133 Cb -0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.59 1ma1 s VAL 133 CO 0.00 0.24 0.56 -0.22 0.00 0.00 0.00 175.10 175.68 1ma1 s LEU 134 N 0.98 4.52 0.00 3.92 2.96 0.41 -0.88 118.68 130.60 1ma1 s LEU 134 Ca -0.10 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1ma1 s LEU 134 Cb -0.14 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.67 1ma1 s LEU 134 CO -0.00 0.27 0.00 1.07 -1.32 0.00 0.00 176.35 176.37 1ma1 n THR 135 N 1.76 0.00 -3.69 3.68 5.66 0.55 -1.48 114.28 120.77 1ma1 n THR 135 Ca -0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 1ma1 n THR 135 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 1ma1 n THR 135 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ma1 s TYR 136 N -5.11 -0.61 -0.86 1.09 5.04 -1.26 -0.72 117.35 114.92 1ma1 s TYR 136 Ca 0.00 1.28 -0.15 0.00 -2.44 0.00 0.00 57.07 55.75 1ma1 s TYR 136 Cb 0.00 0.23 0.19 0.00 0.35 0.00 0.00 41.96 42.74 1ma1 s TYR 136 CO 0.00 -0.37 0.87 0.00 -1.34 0.00 0.00 175.55 174.72 1ma1 n GLN 138 N 4.75 0.00 0.22 0.00 10.64 -1.26 0.15 117.38 131.87 1ma1 n GLN 138 Ca 0.17 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.19 1ma1 n GLN 138 Cb 0.48 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.78 1ma1 n GLN 138 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1ma1 h ARG 139 N 0.00 -0.50 -0.02 2.61 9.65 -1.96 -3.09 114.38 121.07 1ma1 h ARG 139 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1ma1 h ARG 139 Cb 0.00 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1ma1 h ARG 139 CO 0.00 -0.33 -0.17 0.25 2.80 0.00 0.00 179.97 182.52 1ma1 n THR 140 N -5.33 0.00 -3.30 0.20 -2.24 -1.03 -4.98 114.28 97.61 1ma1 n THR 140 Ca -0.10 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 1ma1 n THR 140 Cb 0.23 1.16 0.07 0.00 -2.10 0.00 0.00 70.33 69.69 1ma1 n THR 140 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ma1 n ASP 141 N 0.56 -4.02 -4.07 3.42 2.03 0.40 -5.01 116.55 109.86 1ma1 n ASP 141 Ca 0.13 -0.47 -0.21 0.00 0.52 0.00 0.00 54.79 54.76 1ma1 n ASP 141 Cb 0.50 -4.25 -0.15 0.00 -0.72 0.00 0.00 41.12 36.50 1ma1 n ASP 141 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ma1 s ARG 142 N -5.65 1.05 0.16 -0.67 0.52 -0.95 -4.97 118.95 108.44 1ma1 s ARG 142 Ca 0.27 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 1ma1 s ARG 142 Cb -0.12 -1.00 -0.08 0.00 0.52 0.00 0.00 34.95 34.27 1ma1 s ARG 142 CO 0.60 0.24 1.34 -0.51 0.02 0.00 0.00 175.30 176.98 1ma1 s LEU 143 N -0.17 4.40 0.06 2.53 1.43 -1.26 -0.35 118.68 125.31 1ma1 s LEU 143 Ca 0.03 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.56 1ma1 s LEU 143 Cb -0.06 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1ma1 s LEU 143 CO -0.00 -0.58 -0.15 -0.36 0.23 0.00 0.00 176.35 175.49 1ma1 s PHE 144 N 0.54 2.63 -0.13 0.29 2.99 0.10 -4.92 117.98 119.47 1ma1 s PHE 144 Ca 0.60 -0.21 -0.07 0.00 0.00 0.00 0.00 56.93 57.25 1ma1 s PHE 144 Cb -0.36 -1.45 -0.04 0.00 0.00 0.00 0.00 43.02 41.16 1ma1 s PHE 144 CO 0.35 0.33 0.11 0.42 -0.00 0.00 0.00 175.22 176.42 1ma1 s ILE 145 N -1.03 5.22 0.09 0.64 1.01 -1.26 -0.33 121.20 125.54 1ma1 s ILE 145 Ca 0.17 0.11 0.10 0.00 0.00 0.00 0.00 60.65 61.02 1ma1 s ILE 145 Cb -0.11 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1ma1 s ILE 145 CO 0.08 0.58 -0.26 0.00 0.00 0.00 0.00 174.94 175.34 1ma1 s MET 146 N -0.67 1.54 -0.44 2.79 0.23 -0.05 -4.99 119.30 117.70 1ma1 s MET 146 Ca 0.13 -1.21 -0.09 0.00 -1.03 0.00 0.00 55.69 53.49 1ma1 s MET 146 Cb -0.12 -1.86 0.10 0.00 -1.53 0.00 0.00 34.83 31.42 1ma1 s MET 146 CO 0.02 0.46 0.29 -1.14 -2.03 0.00 0.00 175.02 172.63 1ma1 s GLN 147 N -1.65 2.51 -0.20 3.16 0.74 -1.26 -1.62 119.66 121.33 1ma1 s GLN 147 Ca 0.12 -1.62 -0.23 0.00 0.05 0.00 0.00 55.36 53.68 1ma1 s GLN 147 Cb -0.10 -3.83 -0.02 0.00 1.10 0.00 0.00 33.01 30.17 1ma1 s GLN 147 CO 0.04 -1.07 0.73 0.08 -0.55 0.00 0.00 175.29 174.52 1ma1 s VAL 148 N 1.38 4.94 0.31 1.34 1.01 -0.21 -4.73 120.40 124.44 1ma1 s VAL 148 Ca 0.04 1.39 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 1ma1 s VAL 148 Cb -0.24 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1ma1 s VAL 148 CO 0.00 0.04 0.71 -1.61 0.00 0.00 0.00 175.10 174.24 1ma1 s GLU 149 N 2.24 3.96 1.25 2.72 2.02 -0.43 0.25 118.70 130.70 1ma1 s GLU 149 Ca 0.32 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1ma1 s GLU 149 Cb -0.16 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1ma1 s GLU 149 CO 0.10 0.17 0.00 1.63 0.02 0.00 0.00 175.26 177.18 1ma1 n LYS 150 N -0.39 0.00 -0.01 1.61 5.02 -0.06 -1.63 118.16 122.70 1ma1 n LYS 150 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ma1 n LYS 150 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 1ma1 n LYS 150 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ma1 n HIS 151 N 14.00 0.02 -1.57 2.13 8.25 -1.26 -4.26 115.22 132.54 1ma1 n HIS 151 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1ma1 n HIS 151 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1ma1 n HIS 151 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ma1 n ASN 152 N -0.39 0.00 -4.34 0.41 6.94 -1.02 -4.46 115.26 112.39 1ma1 n ASN 152 Ca 0.01 -0.72 -0.32 0.00 -0.02 0.00 0.00 54.58 53.53 1ma1 n ASN 152 Cb 0.24 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.50 1ma1 n ASN 152 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ma1 s VAL 153 N 0.00 2.47 -1.11 3.53 1.01 -0.65 -4.63 120.40 121.02 1ma1 s VAL 153 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1ma1 s VAL 153 Cb 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1ma1 s VAL 153 CO 0.00 0.57 0.96 0.59 0.00 0.00 0.00 175.10 177.22 1ma1 n ASN 154 N 2.81 -4.41 -4.44 3.32 3.02 -1.26 -1.32 115.26 112.97 1ma1 n ASN 154 Ca -0.17 -0.49 -0.31 0.00 -0.03 0.00 0.00 54.58 53.58 1ma1 n ASN 154 Cb 0.52 -4.41 -0.13 0.00 -0.61 0.00 0.00 39.78 35.15 1ma1 n ASN 154 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ma1 s VAL 155 N -3.29 2.79 -0.39 2.41 0.11 -1.26 -4.46 120.40 116.31 1ma1 s VAL 155 Ca 0.32 -1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 1ma1 s VAL 155 Cb -0.14 -2.12 0.02 0.00 -1.53 0.00 0.00 36.38 32.61 1ma1 s VAL 155 CO 0.62 0.45 1.03 -0.63 -3.33 0.00 0.00 175.10 173.24 1ma1 s ILE 156 N -0.82 4.46 0.45 7.04 1.01 -1.26 -5.00 121.20 127.08 1ma1 s ILE 156 Ca 0.13 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 61.89 1ma1 s ILE 156 Cb -0.10 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 1ma1 s ILE 156 CO 0.03 -0.66 1.12 -0.81 0.00 0.00 0.00 174.94 174.62 1ma1 n PRO 157 N 7.10 1.51 0.00 2.79 -0.04 -1.26 -2.84 135.00 142.26 1ma1 n PRO 157 Ca 0.10 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1ma1 n PRO 157 Cb 0.48 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1ma1 n PRO 157 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ma1 n HIS 158 N -0.59 0.00 -2.50 0.54 -0.00 -1.26 -5.02 115.22 106.40 1ma1 n HIS 158 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 1ma1 n HIS 158 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.35 1ma1 n HIS 158 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1ma1 s PHE 159 N -1.47 3.49 0.15 1.57 0.40 -1.13 -5.03 117.98 115.95 1ma1 s PHE 159 Ca 0.00 1.69 0.03 0.00 -0.60 0.00 0.00 56.93 58.04 1ma1 s PHE 159 Cb 0.00 -3.23 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 1ma1 s PHE 159 CO 0.00 -0.56 0.27 1.03 0.70 0.00 0.00 175.22 176.67 1ma1 s ARG 160 N -1.77 3.41 -0.08 0.44 0.52 -1.26 -5.00 118.95 115.20 1ma1 s ARG 160 Ca 0.49 -0.61 -0.23 0.00 -0.52 0.00 0.00 55.73 54.86 1ma1 s ARG 160 Cb -0.29 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1ma1 s ARG 160 CO 0.37 0.52 0.67 0.42 0.02 0.00 0.00 175.30 177.30 1ma1 s ILE 161 N -1.74 5.06 -0.17 1.52 1.01 -1.26 -4.36 121.20 121.26 1ma1 s ILE 161 Ca 0.34 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 1ma1 s ILE 161 Cb -0.11 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1ma1 s ILE 161 CO 0.28 0.25 -0.22 0.18 0.00 0.00 0.00 174.94 175.43 1ma1 n LEU 162 N 3.88 1.25 -3.89 2.97 4.77 -0.55 -4.91 117.00 120.53 1ma1 n LEU 162 Ca -0.02 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1ma1 n LEU 162 Cb 0.51 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1ma1 n LEU 162 CO 0.46 0.37 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.33 1ma1 s LEU 163 N -6.90 1.97 -0.04 2.23 0.20 -1.20 -4.56 118.68 110.38 1ma1 s LEU 163 Ca -0.24 -0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 1ma1 s LEU 163 Cb 0.09 0.09 0.02 0.00 -0.43 0.00 0.00 46.19 45.97 1ma1 s LEU 163 CO 0.30 -0.07 0.09 -0.69 -0.29 0.00 0.00 176.35 175.69 1ma1 s VAL 164 N -0.31 -0.03 -0.18 1.68 1.01 -1.26 -0.44 120.40 120.87 1ma1 s VAL 164 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1ma1 s VAL 164 Cb -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 36.38 36.26 1ma1 s VAL 164 CO -0.00 0.04 -0.03 -0.22 0.00 0.00 0.00 175.10 174.89 1ma1 s LEU 165 N 0.65 1.65 0.19 3.92 2.96 0.07 -4.71 118.68 123.41 1ma1 s LEU 165 Ca -0.05 -0.77 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 1ma1 s LEU 165 Cb -0.07 -0.87 -0.08 0.00 0.50 0.00 0.00 46.19 45.67 1ma1 s LEU 165 CO -0.03 -0.22 1.21 -0.62 -1.32 0.00 0.00 176.35 175.38 1ma1 s ASP 166 N 1.65 7.06 -0.00 3.68 -1.08 -1.26 -2.32 116.67 124.39 1ma1 s ASP 166 Ca -0.01 2.26 0.00 0.00 -0.52 0.00 0.00 52.55 54.29 1ma1 s ASP 166 Cb -0.16 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1ma1 s ASP 166 CO -0.07 -0.39 0.60 0.55 0.52 0.00 0.00 175.17 176.37 1ma1 n VAL 167 N 2.49 0.17 -1.40 1.11 3.14 -0.01 -4.93 118.33 118.89 1ma1 n VAL 167 Ca 0.04 -0.17 -0.45 0.00 -2.96 0.00 0.00 64.34 60.80 1ma1 n VAL 167 Cb 0.44 0.90 -0.02 0.00 -1.06 0.00 0.00 33.84 34.11 1ma1 n VAL 167 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 1ma1 n TRP 168 N -0.09 -0.70 0.20 1.45 7.02 -0.95 -4.39 117.44 119.99 1ma1 n TRP 168 Ca 0.00 0.80 0.05 0.00 -1.02 0.00 0.00 57.50 57.33 1ma1 n TRP 168 Cb 0.47 -1.95 0.49 0.00 -2.42 0.00 0.00 31.31 27.90 1ma1 n TRP 168 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1ma1 h GLU 169 N 0.91 0.05 0.00 -0.99 5.08 -1.94 -1.92 114.58 115.77 1ma1 h GLU 169 Ca -0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ma1 h GLU 169 Cb 1.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ma1 h GLU 169 CO 0.54 0.21 0.00 1.12 -1.00 0.00 0.00 179.01 179.88 1ma1 h HIS 170 N 0.05 0.00 0.00 4.33 2.07 -2.00 -0.04 115.15 119.55 1ma1 h HIS 170 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1ma1 h HIS 170 Cb 0.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.29 1ma1 h HIS 170 CO 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 177.93 174.85 1ma1 n ALA 171 N -1.93 2.32 -0.47 6.11 0.00 -0.72 -4.42 120.51 121.39 1ma1 n ALA 171 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ma1 n ALA 171 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1ma1 n ALA 171 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ma1 n TYR 172 N -2.02 0.00 0.21 0.00 0.18 -0.86 -4.93 117.16 109.74 1ma1 n TYR 172 Ca 0.06 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.89 1ma1 n TYR 172 Cb 0.40 0.00 0.45 0.00 -0.38 0.00 0.00 39.34 39.81 1ma1 n TYR 172 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1ma1 h TYR 173 N 0.00 0.00 -0.18 -3.48 3.20 -1.21 0.45 116.97 115.75 1ma1 h TYR 173 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ma1 h TYR 173 Cb 0.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1ma1 h TYR 173 CO 0.00 0.29 -0.02 0.82 -1.64 0.00 0.00 178.16 177.61 1ma1 h ILE 174 N 0.00 1.27 0.07 1.81 2.04 -1.87 0.66 117.51 121.49 1ma1 h ILE 174 Ca -0.00 -0.92 -0.26 0.00 1.00 0.00 0.00 64.86 64.67 1ma1 h ILE 174 Cb 0.55 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1ma1 h ILE 174 CO 0.04 0.28 -1.26 0.44 0.00 0.00 0.00 178.15 177.65 1ma1 h ASP 175 N 0.07 0.22 0.00 1.72 3.32 -1.80 -3.40 116.42 116.56 1ma1 h ASP 175 Ca 0.05 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ma1 h ASP 175 Cb 0.43 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1ma1 h ASP 175 CO 0.01 1.21 0.00 -1.22 -1.72 0.00 0.00 179.24 177.53 1ma1 n TYR 176 N -3.41 0.00 0.00 4.55 4.02 0.15 -5.09 117.16 117.39 1ma1 n TYR 176 Ca -0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1ma1 n TYR 176 Cb 1.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.31 1ma1 n TYR 176 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ma1 n ARG 177 N -0.08 0.00 0.02 -0.72 5.12 0.22 -0.70 116.66 120.53 1ma1 n ARG 177 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1ma1 n ARG 177 Cb 0.14 0.00 0.48 0.00 -1.16 0.00 0.00 32.46 31.93 1ma1 n ARG 177 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ma1 n ASN 178 N 3.17 0.13 -3.75 0.55 6.94 -1.26 -4.33 115.26 116.72 1ma1 n ASN 178 Ca 0.00 0.52 -0.42 0.00 -0.02 0.00 0.00 54.58 54.66 1ma1 n ASN 178 Cb 0.00 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 1ma1 n ASN 178 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ma1 n VAL 179 N -1.63 4.60 -0.23 3.53 0.31 0.12 -4.76 118.33 120.26 1ma1 n VAL 179 Ca 0.05 -4.36 0.16 0.00 -0.01 0.00 0.00 64.34 60.18 1ma1 n VAL 179 Cb 0.28 -2.28 0.47 0.00 -0.91 0.00 0.00 33.84 31.40 1ma1 n VAL 179 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ma1 h ARG 180 N 5.41 0.48 -0.58 5.55 2.43 -1.82 -1.46 114.38 124.38 1ma1 h ARG 180 Ca 0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1ma1 h ARG 180 Cb 0.53 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1ma1 h ARG 180 CO 1.59 0.32 0.36 -1.35 -1.51 0.00 0.00 179.97 179.38 1ma1 h PRO 181 N 0.49 0.78 -0.66 0.20 0.11 -1.95 -0.35 132.00 130.62 1ma1 h PRO 181 Ca 0.44 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.41 1ma1 h PRO 181 Cb 0.97 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1ma1 h PRO 181 CO -0.18 0.53 0.09 -0.44 -0.21 0.00 0.00 178.00 177.79 1ma1 h ASP 182 N 0.80 1.07 -0.24 -2.05 3.32 -1.67 -0.28 116.42 117.37 1ma1 h ASP 182 Ca 0.21 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1ma1 h ASP 182 Cb -0.05 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1ma1 h ASP 182 CO -0.04 1.07 0.10 0.22 -1.72 0.00 0.00 179.24 178.87 1ma1 h TYR 183 N 1.03 0.37 -0.99 4.55 5.03 -1.42 0.10 116.97 125.63 1ma1 h TYR 183 Ca 0.20 -0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.51 1ma1 h TYR 183 Cb 0.47 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.59 1ma1 h TYR 183 CO 0.04 0.38 0.65 0.28 -1.32 0.00 0.00 178.16 178.19 1ma1 h VAL 184 N 0.25 1.21 -0.44 1.81 2.07 -0.94 -1.63 116.25 118.57 1ma1 h VAL 184 Ca 0.08 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1ma1 h VAL 184 Cb 0.17 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 1ma1 h VAL 184 CO -0.01 0.24 0.09 -0.08 0.02 0.00 0.00 177.57 177.83 1ma1 h GLU 185 N 1.29 0.72 -0.16 1.57 4.57 -0.85 -2.72 114.58 119.00 1ma1 h GLU 185 Ca 0.38 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1ma1 h GLU 185 Cb -0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1ma1 h GLU 185 CO -0.10 0.73 0.11 0.00 -1.18 0.00 0.00 179.01 178.56 1ma1 h ALA 186 N 0.96 1.90 -0.62 2.92 0.00 -0.49 -3.04 119.26 120.89 1ma1 h ALA 186 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ma1 h ALA 186 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ma1 h ALA 186 CO 0.00 0.09 0.41 0.35 0.00 0.00 0.00 179.25 180.10 1ma1 h PHE 187 N 0.21 0.74 0.00 0.00 3.57 -0.97 -1.17 116.94 119.31 1ma1 h PHE 187 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ma1 h PHE 187 Cb -0.01 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1ma1 h PHE 187 CO -0.00 0.45 0.00 0.91 -2.23 0.00 0.00 178.31 177.44 1ma1 n TRP 188 N -4.45 0.85 0.24 0.41 7.02 -1.15 -1.23 117.44 119.14 1ma1 n TRP 188 Ca 0.07 0.35 0.14 0.00 -1.02 0.00 0.00 57.50 57.04 1ma1 n TRP 188 Cb 0.09 -1.06 0.45 0.00 -2.42 0.00 0.00 31.31 28.36 1ma1 n TRP 188 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1ma1 h ASN 189 N 0.00 0.00 0.00 -0.99 2.35 -1.39 -3.35 115.58 112.20 1ma1 h ASN 189 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ma1 h ASN 189 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ma1 h ASN 189 CO 0.00 0.06 -0.02 2.30 -1.65 0.00 0.00 177.43 178.12 1ma1 n ILE 190 N -3.15 0.80 -1.84 2.81 -5.35 -0.36 -3.11 119.36 109.17 1ma1 n ILE 190 Ca 0.02 -0.83 -0.42 0.00 -0.27 0.00 0.00 62.75 61.24 1ma1 n ILE 190 Cb 0.42 0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 1ma1 n ILE 190 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ma1 s VAL 191 N -0.89 2.39 -0.87 7.28 1.01 -0.98 -0.95 120.40 127.40 1ma1 s VAL 191 Ca 0.03 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1ma1 s VAL 191 Cb 0.02 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.39 1ma1 s VAL 191 CO 0.00 0.02 1.01 0.21 0.00 0.00 0.00 175.10 176.34 1ma1 s ASN 192 N 1.31 6.59 0.38 3.32 3.84 -0.26 -0.60 114.94 129.52 1ma1 s ASN 192 Ca 0.73 -2.05 0.16 0.00 0.21 0.00 0.00 52.86 51.90 1ma1 s ASN 192 Cb -0.46 -2.36 0.75 0.00 -0.55 0.00 0.00 41.25 38.64 1ma1 s ASN 192 CO 0.32 -1.00 1.81 -0.50 -2.79 0.00 0.00 177.10 174.94 1ma1 h TRP 193 N 8.71 0.00 -0.38 0.43 4.06 -1.87 -2.65 115.95 124.24 1ma1 h TRP 193 Ca 0.08 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.10 1ma1 h TRP 193 Cb 1.04 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.13 1ma1 h TRP 193 CO 1.10 0.37 -0.02 0.87 -3.56 0.00 0.00 178.44 177.21 1ma1 h LYS 194 N 0.00 0.08 -0.40 0.49 1.79 -1.96 0.29 116.57 116.87 1ma1 h LYS 194 Ca -0.00 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1ma1 h LYS 194 Cb 0.73 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1ma1 h LYS 194 CO 0.05 0.05 0.07 1.49 -1.08 0.00 0.00 179.45 180.03 1ma1 h GLU 195 N 0.08 0.66 -0.25 3.15 4.57 -1.80 -0.35 114.58 120.64 1ma1 h GLU 195 Ca 0.19 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1ma1 h GLU 195 Cb 0.27 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ma1 h GLU 195 CO -0.33 0.71 0.08 0.28 -1.18 0.00 0.00 179.01 178.57 1ma1 h VAL 196 N 0.51 1.20 -0.60 0.32 2.07 -1.27 0.46 116.25 118.94 1ma1 h VAL 196 Ca 0.12 -0.62 0.12 0.00 0.82 0.00 0.00 66.70 67.14 1ma1 h VAL 196 Cb 0.37 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1ma1 h VAL 196 CO 0.01 0.20 0.00 -0.33 0.02 0.00 0.00 177.57 177.47 1ma1 h GLU 197 N 0.23 0.12 0.06 1.57 5.08 -0.30 -0.34 114.58 121.01 1ma1 h GLU 197 Ca 0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ma1 h GLU 197 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ma1 h GLU 197 CO -0.00 0.08 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.84 1ma1 h LYS 198 N 0.12 -0.08 -1.00 2.33 3.64 -0.46 -2.06 116.57 119.06 1ma1 h LYS 198 Ca 0.31 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.89 1ma1 h LYS 198 Cb 0.50 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1ma1 h LYS 198 CO -0.51 0.05 0.60 0.00 -2.27 0.00 0.00 179.45 177.32 1ma1 h ARG 199 N -0.19 0.73 0.00 1.90 3.08 -0.58 -1.69 114.38 117.63 1ma1 h ARG 199 Ca -0.01 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 1ma1 h ARG 199 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1ma1 h ARG 199 CO 0.01 0.48 -0.59 0.35 -1.07 0.00 0.00 179.97 179.16 1ma1 h PHE 200 N 0.75 0.00 0.00 3.04 3.57 -0.56 -2.95 116.94 120.80 1ma1 h PHE 200 Ca 0.58 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.95 1ma1 h PHE 200 Cb 0.90 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1ma1 h PHE 200 CO -0.01 0.59 -0.60 0.93 -2.23 0.00 0.00 178.31 176.99 1ma1 h GLU 201 N 0.00 0.00 -0.02 1.11 5.08 -0.63 -3.03 114.58 117.09 1ma1 h GLU 201 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ma1 h GLU 201 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ma1 h GLU 201 CO 0.08 0.60 0.00 -0.25 -1.00 0.00 0.00 179.01 178.43 1ma1 n ASP 202 N -3.76 0.15 -0.23 1.42 8.00 -1.11 -2.17 116.55 118.85 1ma1 n ASP 202 Ca -0.01 -1.71 0.03 0.00 0.71 0.00 0.00 54.79 53.81 1ma1 n ASP 202 Cb 0.61 -0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.74 1ma1 n ASP 202 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ma1 n ILE 203 N -0.56 0.69 -0.47 0.53 -5.35 -1.15 -5.12 119.36 107.93 1ma1 n ILE 203 Ca 0.08 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 1ma1 n ILE 203 Cb 0.06 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 1ma1 n ILE 203 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79