#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 2.47 0.02 3.49 -0.14 -1.26 -5.08 119.74 119.24 1ma1 s LYS 5 Ca 0.00 0.39 -0.02 0.00 -1.36 0.00 0.00 55.97 54.99 1ma1 s LYS 5 Cb 0.00 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 1ma1 s LYS 5 CO 0.00 -1.30 0.01 0.21 -0.76 0.00 0.00 175.35 173.51 1ma1 s LYS 6 N -5.38 0.37 0.26 1.68 2.20 -1.26 -5.17 119.74 112.45 1ma1 s LYS 6 Ca 0.60 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1ma1 s LYS 6 Cb -0.12 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1ma1 s LYS 6 CO 0.51 -0.07 0.14 -0.06 -0.36 0.00 0.00 175.35 175.51 1ma1 s PHE 7 N -1.65 1.46 0.27 4.03 0.08 -1.26 -5.13 117.98 115.78 1ma1 s PHE 7 Ca -0.14 -1.33 -0.21 0.00 0.12 0.00 0.00 56.93 55.37 1ma1 s PHE 7 Cb -0.08 -0.78 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 1ma1 s PHE 7 CO -0.01 -0.51 0.80 0.71 -0.10 0.00 0.00 175.22 176.11 1ma1 s TYR 8 N -3.81 3.62 0.06 0.36 2.02 -1.26 -5.08 117.35 113.25 1ma1 s TYR 8 Ca 0.38 1.51 0.04 0.00 -0.37 0.00 0.00 57.07 58.62 1ma1 s TYR 8 Cb 0.06 -2.72 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1ma1 s TYR 8 CO 0.15 0.26 -0.12 -1.21 -1.57 0.00 0.00 175.55 173.06 1ma1 s GLU 9 N -2.14 0.75 -0.09 -0.62 2.02 -1.26 -4.94 118.70 112.41 1ma1 s GLU 9 Ca 0.47 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 1ma1 s GLU 9 Cb -0.16 -0.69 -0.06 0.00 0.10 0.00 0.00 34.13 33.31 1ma1 s GLU 9 CO 0.21 0.15 1.95 -1.17 0.02 0.00 0.00 175.26 176.42 1ma1 s LEU 10 N -1.58 4.05 0.49 1.80 2.96 -1.26 -4.96 118.68 120.17 1ma1 s LEU 10 Ca -0.04 2.23 -0.22 0.00 -0.22 0.00 0.00 54.13 55.89 1ma1 s LEU 10 Cb -0.10 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1ma1 s LEU 10 CO 0.02 -1.34 1.13 -2.16 -1.32 0.00 0.00 176.35 172.68 1ma1 s PRO 11 N 4.99 3.66 0.54 0.98 0.04 -1.26 -5.00 135.00 138.94 1ma1 s PRO 11 Ca 0.87 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 63.36 1ma1 s PRO 11 Cb -0.36 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1ma1 s PRO 11 CO 0.36 -0.61 1.17 -1.21 0.04 0.00 0.00 177.00 176.75 1ma1 s GLU 12 N -2.94 3.34 0.57 4.56 2.02 -1.26 -5.02 118.70 119.98 1ma1 s GLU 12 Ca 0.67 1.73 -0.19 0.00 0.02 0.00 0.00 54.97 57.19 1ma1 s GLU 12 Cb -0.25 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1ma1 s GLU 12 CO 0.30 -0.89 1.20 -0.51 0.02 0.00 0.00 175.26 175.38 1ma1 s LEU 13 N -3.68 3.71 0.00 1.80 1.02 -1.26 -4.91 118.68 115.36 1ma1 s LEU 13 Ca 0.72 2.36 0.13 0.00 0.02 0.00 0.00 54.13 57.35 1ma1 s LEU 13 Cb -0.27 -4.56 0.76 0.00 0.02 0.00 0.00 46.19 42.13 1ma1 s LEU 13 CO 0.31 -1.48 1.19 -2.65 0.02 0.00 0.00 176.35 173.74 1ma1 n PRO 14 N -1.44 0.51 -3.54 1.29 -0.02 -1.26 -4.85 135.00 125.69 1ma1 n PRO 14 Ca 0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 1ma1 n PRO 14 Cb 0.50 -1.39 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.28 0.75 6.00 -0.85 -1.26 -5.12 117.35 114.60 1ma1 s TYR 15 Ca 0.19 0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.81 1ma1 s TYR 15 Cb 0.09 0.52 0.05 0.00 0.38 0.00 0.00 41.96 43.00 1ma1 s TYR 15 CO 0.15 -0.42 1.14 -1.25 -1.52 0.00 0.00 175.55 173.65 1ma1 s PRO 16 N -2.72 2.14 0.07 -3.49 0.04 -1.26 -4.88 135.00 124.90 1ma1 s PRO 16 Ca 0.06 1.49 0.08 0.00 0.04 0.00 0.00 61.00 62.66 1ma1 s PRO 16 Cb -0.01 -1.86 0.37 0.00 0.04 0.00 0.00 34.50 33.04 1ma1 s PRO 16 CO -0.07 -1.78 1.24 0.66 0.04 0.00 0.00 177.00 177.09 1ma1 n TYR 17 N -3.10 0.18 -0.30 0.56 4.01 -1.26 -0.22 117.16 117.03 1ma1 n TYR 17 Ca 0.11 0.09 0.07 0.00 -0.16 0.00 0.00 57.90 58.01 1ma1 n TYR 17 Cb 0.52 -0.64 0.19 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.68 3.19 0.10 7.72 5.75 -1.26 -3.81 116.55 126.55 1ma1 n ASP 18 Ca 0.00 -2.13 0.10 0.00 -0.01 0.00 0.00 54.79 52.76 1ma1 n ASP 18 Cb 0.05 -0.30 0.44 0.00 -1.03 0.00 0.00 41.12 40.27 1ma1 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ma1 n ALA 19 N 0.52 1.60 0.16 2.12 0.00 0.69 -3.07 120.51 122.52 1ma1 n ALA 19 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.67 1ma1 n ALA 19 Cb 0.51 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.66 1ma1 n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ma1 n LEU 20 N -2.04 1.64 -4.75 0.00 4.77 -1.26 -3.86 117.00 111.50 1ma1 n LEU 20 Ca 0.02 -1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 54.45 1ma1 n LEU 20 Cb 0.19 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1ma1 n LEU 20 CO 0.17 0.37 0.81 -1.61 -1.33 0.00 0.00 177.39 175.80 1ma1 s GLU 21 N -0.55 2.80 0.00 3.23 2.02 -1.03 -1.56 118.70 123.60 1ma1 s GLU 21 Ca 0.07 1.73 0.22 0.00 0.02 0.00 0.00 54.97 57.02 1ma1 s GLU 21 Cb 0.05 -1.92 0.98 0.00 0.10 0.00 0.00 34.13 33.34 1ma1 s GLU 21 CO 0.07 -1.32 1.68 -0.35 0.02 0.00 0.00 175.26 175.36 1ma1 n PRO 22 N -1.92 1.48 -0.04 0.39 -0.04 -1.26 -4.80 135.00 128.81 1ma1 n PRO 22 Ca 0.13 -0.71 -0.15 0.00 -0.04 0.00 0.00 63.50 62.72 1ma1 n PRO 22 Cb 0.50 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.51 0.15 -3.21 0.54 3.86 -1.71 -3.40 115.15 112.89 1ma1 h HIS 23 Ca 0.00 -0.10 -0.67 0.00 -1.16 0.00 0.00 60.37 58.44 1ma1 h HIS 23 Cb 0.33 -0.01 -0.32 0.00 1.06 0.00 0.00 27.41 28.47 1ma1 h HIS 23 CO 0.05 1.01 -0.83 0.42 0.86 0.00 0.00 177.93 179.44 1ma1 s ILE 24 N -2.59 2.41 0.74 2.45 1.01 -0.60 -4.95 121.20 119.67 1ma1 s ILE 24 Ca -0.17 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1ma1 s ILE 24 Cb -0.01 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.48 1ma1 s ILE 24 CO 0.73 0.52 1.07 -0.94 0.00 0.00 0.00 174.94 176.32 1ma1 s SER 25 N 1.00 4.95 0.23 3.58 1.04 -1.26 -2.47 113.70 120.76 1ma1 s SER 25 Ca -0.02 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.94 1ma1 s SER 25 Cb -0.15 -2.41 0.20 0.00 0.10 0.00 0.00 66.02 63.77 1ma1 s SER 25 CO -0.04 -1.72 1.88 -0.09 0.98 0.00 0.00 173.24 174.25 1ma1 h ARG 26 N -0.91 1.18 -0.08 4.02 2.43 -1.91 -0.16 114.38 118.96 1ma1 h ARG 26 Ca -0.45 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1ma1 h ARG 26 Cb 1.23 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ma1 h ARG 26 CO 0.56 0.82 0.02 1.49 -1.51 0.00 0.00 179.97 181.34 1ma1 h GLU 27 N 1.21 0.12 -0.47 0.20 4.81 -1.92 -1.19 114.58 117.34 1ma1 h GLU 27 Ca 0.32 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 1ma1 h GLU 27 Cb -0.08 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1ma1 h GLU 27 CO -0.06 0.32 0.14 0.37 -0.73 0.00 0.00 179.01 179.05 1ma1 h GLN 28 N -0.10 0.29 -0.36 1.92 5.75 -1.83 -2.63 115.11 118.15 1ma1 h GLN 28 Ca 0.02 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.36 1ma1 h GLN 28 Cb 0.26 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1ma1 h GLN 28 CO 0.00 0.19 -0.35 1.25 -2.65 0.00 0.00 178.83 177.26 1ma1 h LEU 29 N 0.29 0.89 -0.28 -2.39 6.46 -0.93 -2.74 115.31 116.61 1ma1 h LEU 29 Ca 0.23 -0.39 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1ma1 h LEU 29 Cb 0.26 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1ma1 h LEU 29 CO -0.26 1.15 -0.08 0.74 -0.62 0.00 0.00 178.44 179.38 1ma1 h THR 30 N 0.70 1.28 0.00 1.05 2.02 -0.87 -1.97 112.91 115.13 1ma1 h THR 30 Ca 0.07 -1.11 -0.21 0.00 0.77 0.00 0.00 66.41 65.93 1ma1 h THR 30 Cb 0.92 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1ma1 h THR 30 CO 0.08 0.35 -0.90 -0.29 0.37 0.00 0.00 175.52 175.13 1ma1 h ILE 31 N 0.29 1.47 -0.47 3.11 2.10 -1.54 -0.23 117.51 122.24 1ma1 h ILE 31 Ca 0.07 -2.57 0.05 0.00 1.08 0.00 0.00 64.86 63.49 1ma1 h ILE 31 Cb 0.56 2.46 -0.05 0.00 -1.09 0.00 0.00 36.82 38.70 1ma1 h ILE 31 CO 0.03 0.76 0.20 -0.74 -1.08 0.00 0.00 178.15 177.31 1ma1 h HIS 32 N 0.15 0.35 -0.05 2.19 2.76 -1.42 -0.90 115.15 118.22 1ma1 h HIS 32 Ca -0.06 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1ma1 h HIS 32 Cb 1.54 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1ma1 h HIS 32 CO 0.04 0.15 -0.21 1.25 -1.30 0.00 0.00 177.93 177.86 1ma1 h HIS 33 N 0.39 0.30 0.00 5.26 -0.00 -1.30 -2.00 115.15 117.80 1ma1 h HIS 33 Ca 0.22 -0.13 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1ma1 h HIS 33 Cb 0.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1ma1 h HIS 33 CO -0.13 0.84 -1.32 1.04 -0.00 0.00 0.00 177.93 178.35 1ma1 n GLN 34 N -4.55 0.62 -0.10 5.26 6.02 -0.10 -3.07 117.38 121.46 1ma1 n GLN 34 Ca -0.08 0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 1ma1 n GLN 34 Cb 0.44 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.72 0.53 -0.04 -1.09 4.76 -0.35 -4.40 118.16 114.85 1ma1 n LYS 35 Ca -0.05 0.28 -0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1ma1 n LYS 35 Cb 0.69 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.03 -0.95 2.13 3.86 -1.43 -1.27 115.15 116.46 1ma1 h HIS 36 Ca -0.17 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1ma1 h HIS 36 Cb 1.08 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.49 1ma1 h HIS 36 CO -0.30 0.45 0.59 1.25 0.86 0.00 0.00 177.93 180.78 1ma1 h HIS 37 N -0.98 1.09 -0.84 2.45 -0.00 -1.42 0.25 115.15 115.70 1ma1 h HIS 37 Ca -0.00 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1ma1 h HIS 37 Cb 0.49 -0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.50 1ma1 h HIS 37 CO 0.13 0.51 0.52 0.37 -0.00 0.00 0.00 177.93 179.46 1ma1 h GLN 38 N 1.02 0.94 -0.40 5.26 5.75 -1.58 -2.21 115.11 123.90 1ma1 h GLN 38 Ca 0.44 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1ma1 h GLN 38 Cb 0.29 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1ma1 h GLN 38 CO -0.21 0.62 0.19 0.00 -2.65 0.00 0.00 178.83 176.79 1ma1 h ALA 39 N 1.39 1.59 -0.12 3.38 0.00 0.73 -0.70 119.26 125.53 1ma1 h ALA 39 Ca 0.36 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 1ma1 h ALA 39 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ma1 h ALA 39 CO -0.16 0.33 -0.77 1.88 0.00 0.00 0.00 179.25 180.54 1ma1 h TYR 40 N 0.56 0.87 -0.23 0.00 0.05 -0.83 0.13 116.97 117.52 1ma1 h TYR 40 Ca 0.14 -0.39 0.06 0.00 0.05 0.00 0.00 58.73 58.59 1ma1 h TYR 40 Cb 0.06 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 1ma1 h TYR 40 CO 0.00 1.19 -0.19 0.28 -1.05 0.00 0.00 178.16 178.40 1ma1 h VAL 41 N 0.44 0.49 -0.34 -2.88 2.07 -0.88 -0.21 116.25 114.94 1ma1 h VAL 41 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1ma1 h VAL 41 Cb 1.38 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1ma1 h VAL 41 CO 0.15 0.00 -0.36 0.44 0.02 0.00 0.00 177.57 177.82 1ma1 h ASP 42 N -0.19 0.82 0.16 0.57 3.32 -1.03 -1.22 116.42 118.86 1ma1 h ASP 42 Ca 0.13 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1ma1 h ASP 42 Cb 0.39 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1ma1 h ASP 42 CO -0.34 1.10 -0.17 1.23 -1.72 0.00 0.00 179.24 179.33 1ma1 h GLY 43 N 0.92 -0.35 1.07 2.75 0.00 -0.55 0.44 103.07 107.34 1ma1 h GLY 43 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1ma1 h GLY 43 CO 0.08 -0.17 0.34 0.00 0.00 0.00 0.00 176.54 176.80 1ma1 h ALA 44 N 0.43 1.08 -0.34 3.60 0.00 -0.92 -2.47 119.26 120.63 1ma1 h ALA 44 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ma1 h ALA 44 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ma1 h ALA 44 CO -0.05 0.66 -0.03 -0.91 0.00 0.00 0.00 179.25 178.92 1ma1 h ASN 45 N 1.17 0.62 -1.00 0.00 2.35 -1.01 -1.13 115.58 116.56 1ma1 h ASN 45 Ca 0.27 -0.33 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1ma1 h ASN 45 Cb 0.19 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 1ma1 h ASN 45 CO -0.03 0.80 0.64 0.00 -1.65 0.00 0.00 177.43 177.20 1ma1 h ALA 46 N 0.83 1.42 -0.12 -0.83 0.00 -0.72 -1.00 119.26 118.85 1ma1 h ALA 46 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1ma1 h ALA 46 Cb 0.51 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ma1 h ALA 46 CO 0.02 0.39 -0.80 1.25 0.00 0.00 0.00 179.25 180.12 1ma1 h LEU 47 N 1.13 0.91 -0.50 0.00 5.85 -1.27 -1.77 115.31 119.67 1ma1 h LEU 47 Ca 0.45 -0.65 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1ma1 h LEU 47 Cb 0.25 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1ma1 h LEU 47 CO -0.20 1.42 0.20 -0.07 -0.34 0.00 0.00 178.44 179.46 1ma1 h LEU 48 N 0.48 0.24 -0.63 2.25 3.38 -0.72 -1.03 115.31 119.28 1ma1 h LEU 48 Ca -0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ma1 h LEU 48 Cb 1.43 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1ma1 h LEU 48 CO 0.16 0.17 0.34 0.03 0.09 0.00 0.00 178.44 179.24 1ma1 h ARG 49 N 0.40 0.87 -0.32 1.13 3.08 -1.08 -0.08 114.38 118.38 1ma1 h ARG 49 Ca 0.23 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1ma1 h ARG 49 Cb 0.22 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1ma1 h ARG 49 CO -0.21 0.66 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.09 1ma1 h LYS 50 N 0.85 0.05 -0.27 0.04 3.64 -0.89 0.93 116.57 120.91 1ma1 h LYS 50 Ca 0.22 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1ma1 h LYS 50 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ma1 h LYS 50 CO -0.04 0.04 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.75 1ma1 h LEU 51 N 0.06 0.65 -0.31 5.20 3.38 -0.86 -2.07 115.31 121.35 1ma1 h LEU 51 Ca 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ma1 h LEU 51 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ma1 h LEU 51 CO -0.29 0.95 0.20 0.44 0.09 0.00 0.00 178.44 179.83 1ma1 h ASP 52 N 0.52 0.37 -0.62 -0.43 3.32 -0.63 -2.27 116.42 116.67 1ma1 h ASP 52 Ca 0.05 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1ma1 h ASP 52 Cb 0.87 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 1ma1 h ASP 52 CO 0.07 0.29 0.36 -0.33 -1.72 0.00 0.00 179.24 177.92 1ma1 h GLU 53 N 0.41 0.68 -0.10 3.56 5.08 -0.66 -0.48 114.58 123.07 1ma1 h GLU 53 Ca 0.11 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ma1 h GLU 53 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1ma1 h GLU 53 CO -0.02 0.45 -0.24 0.00 -1.00 0.00 0.00 179.01 178.20 1ma1 h ALA 54 N 1.30 1.43 0.07 3.43 0.00 -1.19 -1.31 119.26 122.99 1ma1 h ALA 54 Ca 0.26 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1ma1 h ALA 54 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ma1 h ALA 54 CO -0.14 0.41 -1.14 0.00 0.00 0.00 0.00 179.25 178.38 1ma1 h ARG 55 N 0.16 0.55 -0.31 0.00 3.08 -0.81 0.34 114.38 117.38 1ma1 h ARG 55 Ca 0.03 -0.69 -0.11 0.00 0.07 0.00 0.00 59.98 59.28 1ma1 h ARG 55 Cb 0.51 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1ma1 h ARG 55 CO 0.04 1.29 -0.26 0.93 -1.07 0.00 0.00 179.97 180.90 1ma1 h GLU 56 N 0.26 0.63 -0.38 0.04 5.08 -0.83 -2.36 114.58 117.03 1ma1 h GLU 56 Ca -0.15 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ma1 h GLU 56 Cb 1.81 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1ma1 h GLU 56 CO 0.21 0.83 0.00 -1.13 -1.00 0.00 0.00 179.01 177.92 1ma1 n SER 57 N -4.10 2.51 -4.24 1.42 3.41 -0.52 -4.94 113.62 107.15 1ma1 n SER 57 Ca -0.00 -1.92 -0.35 0.00 -0.26 0.00 0.00 58.87 56.34 1ma1 n SER 57 Cb 0.43 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.87 -2.06 -4.85 4.04 2.03 -0.20 -4.95 116.55 111.43 1ma1 n ASP 58 Ca 0.17 -1.08 -0.21 0.00 0.52 0.00 0.00 54.79 54.18 1ma1 n ASP 58 Cb 0.43 -2.49 -0.04 0.00 -0.72 0.00 0.00 41.12 38.30 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 -3.52 2.84 0.36 5.18 -4.23 0.10 -5.00 115.64 111.36 1ma1 s THR 59 Ca 0.55 -1.41 -0.23 0.00 -1.18 0.00 0.00 61.69 59.41 1ma1 s THR 59 Cb -0.30 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.40 1ma1 s THR 59 CO 0.95 -0.05 0.93 -1.81 -0.54 0.00 0.00 174.62 174.09 1ma1 s ASP 60 N -4.06 7.16 0.21 3.99 1.11 -1.26 -4.65 116.67 119.17 1ma1 s ASP 60 Ca 0.45 1.74 0.07 0.00 0.18 0.00 0.00 52.55 54.99 1ma1 s ASP 60 Cb -0.03 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 1ma1 s ASP 60 CO 0.27 -0.18 -0.13 0.68 1.18 0.00 0.00 175.17 176.99 1ma1 s VAL 61 N -1.84 1.65 -0.92 -1.27 -7.23 -1.26 -5.02 120.40 104.51 1ma1 s VAL 61 Ca 0.54 -2.18 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 1ma1 s VAL 61 Cb -0.15 -2.09 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1ma1 s VAL 61 CO 0.19 -0.57 1.53 -0.62 -0.31 0.00 0.00 175.10 175.33 1ma1 s ASP 62 N -3.32 6.13 0.31 4.85 3.68 -1.26 -4.85 116.67 122.21 1ma1 s ASP 62 Ca 0.23 -1.02 0.18 0.00 2.13 0.00 0.00 52.55 54.06 1ma1 s ASP 62 Cb 0.00 -2.56 0.13 0.00 -1.45 0.00 0.00 42.92 39.04 1ma1 s ASP 62 CO 0.07 -1.84 1.43 0.16 0.13 0.00 0.00 175.17 175.12 1ma1 h ILE 63 N 6.74 0.56 0.39 4.11 3.07 -1.98 -1.45 117.51 128.95 1ma1 h ILE 63 Ca 0.07 -1.80 -0.01 0.00 1.55 0.00 0.00 64.86 64.67 1ma1 h ILE 63 Cb 1.03 2.24 -0.02 0.00 -0.27 0.00 0.00 36.82 39.80 1ma1 h ILE 63 CO 1.35 0.32 -0.35 0.50 -1.05 0.00 0.00 178.15 178.91 1ma1 h LYS 64 N 0.00 -0.73 -0.45 0.16 3.64 -1.99 0.27 116.57 117.47 1ma1 h LYS 64 Ca -0.01 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1ma1 h LYS 64 Cb 1.27 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1ma1 h LYS 64 CO 0.04 -0.48 0.22 0.00 -2.27 0.00 0.00 179.45 176.95 1ma1 h ALA 65 N -0.31 0.57 -0.06 5.00 0.00 -1.95 -1.71 119.26 120.79 1ma1 h ALA 65 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ma1 h ALA 65 Cb 0.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ma1 h ALA 65 CO -0.04 -0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.10 1ma1 h ALA 66 N 1.25 0.08 -0.07 0.00 0.00 -1.02 -1.40 119.26 118.09 1ma1 h ALA 66 Ca 0.20 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1ma1 h ALA 66 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ma1 h ALA 66 CO -0.15 -0.42 -0.65 -0.07 0.00 0.00 0.00 179.25 177.95 1ma1 h LEU 67 N 0.07 0.35 -0.17 0.00 3.38 -0.31 0.26 115.31 118.88 1ma1 h LEU 67 Ca 0.02 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ma1 h LEU 67 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ma1 h LEU 67 CO -0.00 0.91 0.10 0.11 0.09 0.00 0.00 178.44 179.64 1ma1 h LYS 68 N 0.22 0.20 -0.62 1.13 1.57 -1.16 -0.84 116.57 117.07 1ma1 h LYS 68 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1ma1 h LYS 68 Cb 1.19 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1ma1 h LYS 68 CO 0.11 0.13 0.03 1.49 -0.57 0.00 0.00 179.45 180.64 1ma1 h GLU 69 N 0.20 1.07 -0.77 3.15 4.81 -0.85 -2.53 114.58 119.66 1ma1 h GLU 69 Ca 0.07 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ma1 h GLU 69 Cb -0.00 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1ma1 h GLU 69 CO -0.03 1.02 0.48 1.25 -0.73 0.00 0.00 179.01 181.00 1ma1 h LEU 70 N 0.97 0.91 -0.95 1.64 5.85 -0.23 -1.67 115.31 121.83 1ma1 h LEU 70 Ca 0.18 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1ma1 h LEU 70 Cb 0.52 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ma1 h LEU 70 CO 0.03 0.69 -0.42 0.77 -0.34 0.00 0.00 178.44 179.16 1ma1 h SER 71 N 1.05 0.22 0.27 1.25 4.64 -0.94 -1.09 113.55 118.95 1ma1 h SER 71 Ca 0.28 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1ma1 h SER 71 Cb -0.06 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1ma1 h SER 71 CO -0.05 0.62 -0.13 0.15 -0.87 0.00 0.00 176.83 176.55 1ma1 h PHE 72 N 0.17 -0.34 0.07 4.77 3.57 -0.91 -1.62 116.94 122.66 1ma1 h PHE 72 Ca 0.01 -0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.24 1ma1 h PHE 72 Cb 0.83 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.69 1ma1 h PHE 72 CO 0.01 -0.16 -1.12 0.45 -2.23 0.00 0.00 178.31 175.26 1ma1 h HIS 73 N -0.44 0.76 -0.17 0.41 3.86 -1.14 -0.33 115.15 118.10 1ma1 h HIS 73 Ca -0.04 -0.47 -0.18 0.00 -1.16 0.00 0.00 60.37 58.53 1ma1 h HIS 73 Cb 0.34 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1ma1 h HIS 73 CO -0.04 1.31 -0.62 0.28 0.86 0.00 0.00 177.93 179.72 1ma1 h VAL 74 N 0.23 1.32 -0.21 2.45 2.07 -1.31 0.21 116.25 121.01 1ma1 h VAL 74 Ca -0.13 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.53 1ma1 h VAL 74 Cb 1.79 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 1ma1 h VAL 74 CO 0.20 0.59 0.02 1.23 0.02 0.00 0.00 177.57 179.63 1ma1 h GLY 75 N 0.99 0.22 0.08 2.17 0.00 -1.28 0.20 103.07 105.46 1ma1 h GLY 75 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1ma1 h GLY 75 CO 0.12 -0.02 -0.20 -1.33 0.00 0.00 0.00 176.54 175.11 1ma1 h GLY 76 N 0.10 0.02 0.63 4.60 0.00 -0.75 -0.47 103.07 107.20 1ma1 h GLY 76 Ca 0.10 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.71 1ma1 h GLY 76 CO -0.14 -0.19 -0.14 -1.82 0.00 0.00 0.00 176.54 174.24 1ma1 h TYR 77 N -0.15 -0.37 -0.36 5.60 3.20 -0.24 -2.35 116.97 122.30 1ma1 h TYR 77 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1ma1 h TYR 77 Cb 0.42 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1ma1 h TYR 77 CO -0.41 -0.21 0.09 0.28 -1.64 0.00 0.00 178.16 176.26 1ma1 h VAL 78 N -0.23 1.22 -0.53 1.81 2.07 -0.38 -2.07 116.25 118.14 1ma1 h VAL 78 Ca 0.05 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 1ma1 h VAL 78 Cb 0.30 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ma1 h VAL 78 CO -0.15 0.26 -0.14 -0.07 0.02 0.00 0.00 177.57 177.48 1ma1 h LEU 79 N 0.43 1.04 -1.17 2.57 3.38 -1.08 -2.22 115.31 118.25 1ma1 h LEU 79 Ca 0.11 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1ma1 h LEU 79 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ma1 h LEU 79 CO 0.00 1.17 -0.11 0.45 0.09 0.00 0.00 178.44 180.04 1ma1 h HIS 80 N 0.90 0.47 0.04 1.13 3.86 -1.38 -0.56 115.15 119.61 1ma1 h HIS 80 Ca 0.13 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1ma1 h HIS 80 Cb 0.72 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1ma1 h HIS 80 CO 0.05 0.55 -0.02 1.25 0.86 0.00 0.00 177.93 180.62 1ma1 h LEU 81 N 0.42 -0.04 -1.33 2.43 5.85 -0.87 -1.84 115.31 119.93 1ma1 h LEU 81 Ca 0.08 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1ma1 h LEU 81 Cb 0.45 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ma1 h LEU 81 CO 0.02 0.08 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.62 1ma1 h PHE 82 N -0.17 0.00 0.44 1.25 -1.00 -1.28 -3.03 116.94 113.15 1ma1 h PHE 82 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1ma1 h PHE 82 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1ma1 h PHE 82 CO -0.04 0.33 -0.21 0.35 -1.61 0.00 0.00 178.31 177.13 1ma1 h PHE 83 N 0.00 -0.55 -0.91 -0.55 3.57 -0.65 -1.53 116.94 116.33 1ma1 h PHE 83 Ca -0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1ma1 h PHE 83 Cb 0.63 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1ma1 h PHE 83 CO 0.00 -0.26 0.58 -1.49 -2.23 0.00 0.00 178.31 174.91 1ma1 h TRP 84 N -0.74 0.94 0.00 0.41 -0.00 -1.40 -2.57 115.95 112.59 1ma1 h TRP 84 Ca -0.06 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.76 1ma1 h TRP 84 Cb 0.53 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 1ma1 h TRP 84 CO -0.01 0.39 -0.47 0.78 -0.00 0.00 0.00 178.44 179.13 1ma1 h GLY 85 N 0.84 0.00 -3.37 1.49 0.00 -1.34 -2.91 103.07 97.79 1ma1 h GLY 85 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.34 1ma1 h GLY 85 CO -0.20 0.00 0.40 1.16 0.00 0.00 0.00 176.54 177.90 1ma1 n ASN 86 N -3.70 3.63 -4.41 0.19 2.04 -0.61 -4.83 115.26 107.57 1ma1 n ASN 86 Ca -0.01 -3.69 -0.21 0.00 -0.44 0.00 0.00 54.58 50.24 1ma1 n ASN 86 Cb 0.54 -0.77 -0.10 0.00 -2.53 0.00 0.00 39.78 36.91 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 -3.33 1.49 0.10 -3.83 -1.94 -1.10 -1.34 119.30 109.34 1ma1 s MET 87 Ca 0.53 -1.71 -0.15 0.00 -1.71 0.00 0.00 55.69 52.65 1ma1 s MET 87 Cb 0.46 -1.24 0.05 0.00 2.01 0.00 0.00 34.83 36.11 1ma1 s MET 87 CO 0.06 0.13 0.70 0.41 -0.01 0.00 0.00 175.02 176.32 1ma1 n GLY 88 N -0.52 0.76 3.56 -0.03 0.00 -0.13 -4.64 105.19 104.20 1ma1 n GLY 88 Ca -0.06 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.50 1.12 0.19 1.61 -0.02 -1.25 -4.63 135.00 131.52 1ma1 n PRO 89 Ca -0.01 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 1ma1 n PRO 89 Cb 0.38 -1.79 0.53 0.00 -0.02 0.00 0.00 33.50 32.61 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 2.50 1.81 -0.01 3.55 0.00 -1.78 -0.92 119.26 124.42 1ma1 h ALA 90 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ma1 h ALA 90 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ma1 h ALA 90 CO 0.64 0.15 -0.02 -0.40 0.00 0.00 0.00 179.25 179.63 1ma1 n ASP 91 N -4.44 0.65 -0.02 0.00 5.68 -1.26 -2.69 116.55 114.48 1ma1 n ASP 91 Ca -0.02 -1.12 0.02 0.00 -0.50 0.00 0.00 54.79 53.17 1ma1 n ASP 91 Cb 0.15 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.54 5.24 -0.17 0.11 1.02 -0.47 -5.08 120.64 120.75 1ma1 n GLU 92 Ca 0.21 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1ma1 n GLU 92 Cb 0.23 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.37 0.19 7.00 0.00 0.00 -0.05 -4.83 105.19 108.86 1ma1 n GLY 94 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.33 3.48 -0.02 0.00 -1.26 -4.72 105.19 102.99 1ma1 n GLY 95 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 1.66 0.89 1.61 -1.05 -1.26 -5.02 118.70 115.53 1ma1 s GLU 96 Ca 0.00 -1.86 -0.12 0.00 -0.15 0.00 0.00 54.97 52.84 1ma1 s GLU 96 Cb 0.00 -1.31 0.12 0.00 -0.44 0.00 0.00 34.13 32.51 1ma1 s GLU 96 CO 0.00 0.03 1.13 -1.25 0.95 0.00 0.00 175.26 176.13 1ma1 s PRO 97 N -3.71 1.35 0.20 -4.83 0.04 -1.26 -5.02 135.00 121.78 1ma1 s PRO 97 Ca 0.31 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.74 1ma1 s PRO 97 Cb 0.04 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1ma1 s PRO 97 CO 0.14 -2.06 0.13 -1.13 0.04 0.00 0.00 177.00 174.12 1ma1 n SER 98 N -3.68 0.13 0.00 6.66 3.41 -1.26 -4.61 113.62 114.27 1ma1 n SER 98 Ca 0.07 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1ma1 n SER 98 Cb 0.59 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 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 -0.03 -0.27 0.29 5.00 0.00 -1.26 -3.26 105.19 105.66 1ma1 n GLY 99 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 0.85 -0.49 1.61 1.57 -1.99 -1.70 116.57 116.42 1ma1 h LYS 100 Ca 0.00 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1ma1 h LYS 100 Cb 0.00 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.06 1ma1 h LYS 100 CO 0.00 0.56 0.15 1.25 -0.57 0.00 0.00 179.45 180.83 1ma1 h LEU 101 N 0.87 0.11 -0.61 2.94 5.85 -1.93 0.27 115.31 122.82 1ma1 h LEU 101 Ca 0.32 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.17 1ma1 h LEU 101 Cb 0.11 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1ma1 h LEU 101 CO -0.15 0.09 0.31 0.00 -0.34 0.00 0.00 178.44 178.35 1ma1 h ALA 102 N 1.35 0.80 -0.61 1.25 0.00 -1.32 0.40 119.26 121.14 1ma1 h ALA 102 Ca 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ma1 h ALA 102 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ma1 h ALA 102 CO -0.27 -0.05 0.24 0.93 0.00 0.00 0.00 179.25 180.10 1ma1 h GLU 103 N 0.57 0.91 -0.35 0.00 5.08 -0.25 -1.97 114.58 118.58 1ma1 h GLU 103 Ca 0.28 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1ma1 h GLU 103 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ma1 h GLU 103 CO -0.20 0.78 -0.29 1.88 -1.00 0.00 0.00 179.01 180.17 1ma1 h TYR 104 N 0.85 0.87 -0.70 4.33 -1.99 -0.10 -1.81 116.97 118.42 1ma1 h TYR 104 Ca 0.20 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1ma1 h TYR 104 Cb 0.21 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 1ma1 h TYR 104 CO 0.01 0.95 0.26 0.82 -0.00 0.00 0.00 178.16 180.21 1ma1 h ILE 105 N 0.64 1.24 0.16 -2.88 2.04 -0.72 0.02 117.51 118.01 1ma1 h ILE 105 Ca 0.08 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1ma1 h ILE 105 Cb 0.82 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ma1 h ILE 105 CO 0.07 0.31 -0.08 -0.33 0.00 0.00 0.00 178.15 178.13 1ma1 h GLU 106 N 1.02 -0.20 -0.00 2.37 5.08 -1.17 -0.03 114.58 121.64 1ma1 h GLU 106 Ca 0.23 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1ma1 h GLU 106 Cb 0.22 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ma1 h GLU 106 CO -0.02 -0.12 -0.81 1.57 -1.00 0.00 0.00 179.01 178.63 1ma1 h LYS 107 N -0.23 0.07 0.03 2.33 2.10 -0.99 0.81 116.57 120.68 1ma1 h LYS 107 Ca -0.02 -0.08 -0.27 0.00 -2.00 0.00 0.00 60.65 58.28 1ma1 h LYS 107 Cb 0.18 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 1ma1 h LYS 107 CO 0.04 0.84 -1.46 -0.44 -2.00 0.00 0.00 179.45 176.43 1ma1 h ASP 108 N 0.04 0.09 0.00 7.07 3.32 -1.05 -3.39 116.42 122.50 1ma1 h ASP 108 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ma1 h ASP 108 Cb 1.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1ma1 h ASP 108 CO 0.11 1.11 -0.32 0.49 -1.72 0.00 0.00 179.24 178.91 1ma1 n PHE 109 N -3.23 0.00 0.00 4.55 3.01 -0.03 -5.01 117.46 116.75 1ma1 n PHE 109 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1ma1 n PHE 109 Cb 1.01 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 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 1.17 2.50 3.73 1.37 0.00 0.28 -4.61 105.19 109.63 1ma1 n GLY 110 Ca 0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 0.20 -0.30 0.19 1.61 1.04 -1.25 -4.82 113.70 110.36 1ma1 s SER 111 Ca 0.00 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1ma1 s SER 111 Cb 0.00 0.62 0.11 0.00 0.10 0.00 0.00 66.02 66.85 1ma1 s SER 111 CO 0.00 -1.11 1.78 0.15 0.98 0.00 0.00 173.24 175.04 1ma1 h PHE 112 N 2.00 0.96 -0.29 5.02 3.57 -1.92 -2.57 116.94 123.71 1ma1 h PHE 112 Ca -0.23 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.28 1ma1 h PHE 112 Cb 1.25 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1ma1 h PHE 112 CO 0.37 0.72 -0.12 0.93 -2.23 0.00 0.00 178.31 177.98 1ma1 h GLU 113 N 0.93 -0.06 -0.13 1.11 3.07 -1.96 0.28 114.58 117.81 1ma1 h GLU 113 Ca 0.23 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1ma1 h GLU 113 Cb 0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1ma1 h GLU 113 CO -0.03 -0.04 0.00 -0.09 -1.40 0.00 0.00 179.01 177.45 1ma1 h ARG 114 N -0.07 0.05 -0.08 2.33 9.65 -1.82 0.12 114.38 124.56 1ma1 h ARG 114 Ca 0.15 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1ma1 h ARG 114 Cb 0.29 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 1ma1 h ARG 114 CO -0.34 0.03 -0.30 0.35 2.80 0.00 0.00 179.97 182.52 1ma1 h PHE 115 N 0.05 -0.82 -0.94 2.20 3.57 -1.01 0.57 116.94 120.57 1ma1 h PHE 115 Ca 0.06 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.75 1ma1 h PHE 115 Cb 0.07 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 1ma1 h PHE 115 CO -0.14 -0.38 0.60 -0.09 -2.23 0.00 0.00 178.31 176.07 1ma1 h ARG 116 N -0.40 0.69 0.08 1.11 2.43 0.20 0.19 114.38 118.68 1ma1 h ARG 116 Ca 0.08 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1ma1 h ARG 116 Cb 0.53 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1ma1 h ARG 116 CO -0.31 0.46 -0.59 -0.22 -1.51 0.00 0.00 179.97 177.80 1ma1 h LYS 117 N 0.71 0.25 -0.35 0.20 3.64 -0.19 -1.31 116.57 119.53 1ma1 h LYS 117 Ca 0.49 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ma1 h LYS 117 Cb 0.81 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1ma1 h LYS 117 CO -0.26 1.15 0.20 0.93 -2.27 0.00 0.00 179.45 179.21 1ma1 h GLU 118 N -0.45 0.41 -0.59 1.90 5.08 -0.37 -0.32 114.58 120.24 1ma1 h GLU 118 Ca -0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1ma1 h GLU 118 Cb 1.42 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1ma1 h GLU 118 CO 0.11 0.27 0.27 0.35 -1.00 0.00 0.00 179.01 179.01 1ma1 h PHE 119 N 0.42 0.83 -0.50 4.33 3.57 -0.67 -0.41 116.94 124.51 1ma1 h PHE 119 Ca 0.14 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1ma1 h PHE 119 Cb -0.00 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1ma1 h PHE 119 CO -0.07 0.62 -0.16 0.77 -2.23 0.00 0.00 178.31 177.24 1ma1 h SER 120 N 0.83 1.01 -0.57 0.41 0.02 -0.78 -1.87 113.55 112.61 1ma1 h SER 120 Ca 0.21 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1ma1 h SER 120 Cb 0.10 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1ma1 h SER 120 CO -0.03 1.15 0.18 1.56 -1.14 0.00 0.00 176.83 178.55 1ma1 h GLN 121 N 0.85 0.92 -0.73 3.45 4.20 -0.50 0.91 115.11 124.22 1ma1 h GLN 121 Ca 0.12 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ma1 h GLN 121 Cb 0.73 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1ma1 h GLN 121 CO 0.06 0.80 0.48 0.00 -0.67 0.00 0.00 178.83 179.50 1ma1 h ALA 122 N 1.30 0.93 0.11 3.87 0.00 -0.79 -0.16 119.26 124.53 1ma1 h ALA 122 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ma1 h ALA 122 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ma1 h ALA 122 CO -0.01 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 1ma1 h ALA 123 N 1.28 -0.15 -0.82 0.00 0.00 -1.03 -3.27 119.26 115.26 1ma1 h ALA 123 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ma1 h ALA 123 Cb -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ma1 h ALA 123 CO -0.07 -0.30 0.43 0.82 0.00 0.00 0.00 179.25 180.12 1ma1 h ILE 124 N -0.71 1.25 -0.00 0.00 2.04 -0.71 -3.08 117.51 116.29 1ma1 h ILE 124 Ca -0.02 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1ma1 h ILE 124 Cb 0.54 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ma1 h ILE 124 CO 0.03 0.29 -0.09 -1.54 0.00 0.00 0.00 178.15 176.84 1ma1 n SER 125 N -4.37 0.57 -4.71 1.72 3.41 -0.08 -4.87 113.62 105.29 1ma1 n SER 125 Ca 0.08 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 1ma1 n SER 125 Cb 0.11 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1ma1 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ma1 n ALA 126 N -0.79 2.69 -2.50 7.33 0.00 -1.17 -4.89 120.51 121.18 1ma1 n ALA 126 Ca 0.16 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 1ma1 n ALA 126 Cb 0.27 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 1ma1 n ALA 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ma1 s GLU 127 N 1.43 3.36 2.95 0.00 2.02 -1.26 -4.81 118.70 122.38 1ma1 s GLU 127 Ca 0.76 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1ma1 s GLU 127 Cb -0.51 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 29.63 1ma1 s GLU 127 CO 0.33 -1.89 0.00 0.41 0.02 0.00 0.00 175.26 174.14 1ma1 n GLY 128 N 5.21 -0.43 3.76 -1.39 0.00 -1.26 -4.85 105.19 106.22 1ma1 n GLY 128 Ca 0.09 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 6.59 0.00 1.61 0.01 -1.26 -4.72 113.70 111.93 1ma1 s SER 129 Ca 0.00 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1ma1 s SER 129 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ma1 s SER 129 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1ma1 n GLY 130 N 1.35 -0.74 3.04 3.44 0.00 -1.26 -0.98 105.19 110.04 1ma1 n GLY 130 Ca 0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 0.28 -0.16 1.61 0.52 0.14 -0.88 118.94 117.46 1ma1 s TRP 131 Ca 0.00 -0.60 -0.07 0.00 0.02 0.00 0.00 56.10 55.46 1ma1 s TRP 131 Cb 0.00 -0.21 -0.04 0.00 -1.15 0.00 0.00 33.47 32.07 1ma1 s TRP 131 CO 0.00 -0.27 0.08 0.00 0.02 0.00 0.00 176.95 176.78 1ma1 s ALA 132 N -2.14 3.51 -0.04 0.98 0.00 -0.96 -1.25 121.76 121.87 1ma1 s ALA 132 Ca -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1ma1 s ALA 132 Cb -0.05 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1ma1 s ALA 132 CO -0.03 0.32 -0.04 0.08 0.00 0.00 0.00 175.76 176.09 1ma1 s VAL 133 N -0.09 0.48 0.02 0.00 1.01 -0.55 -1.10 120.40 120.17 1ma1 s VAL 133 Ca 0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1ma1 s VAL 133 Cb -0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1ma1 s VAL 133 CO 0.01 0.20 0.48 -0.22 0.00 0.00 0.00 175.10 175.58 1ma1 s LEU 134 N 0.78 4.47 0.00 3.92 2.96 0.47 -0.83 118.68 130.45 1ma1 s LEU 134 Ca -0.10 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1ma1 s LEU 134 Cb -0.13 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1ma1 s LEU 134 CO 0.00 0.26 0.00 1.07 -1.32 0.00 0.00 176.35 176.37 1ma1 n THR 135 N 2.00 0.00 -3.69 3.68 5.66 0.62 -1.39 114.28 121.16 1ma1 n THR 135 Ca -0.12 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.77 1ma1 n THR 135 Cb 0.52 0.00 -0.12 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 -4.76 -0.53 -0.87 1.09 5.04 -1.26 -0.58 117.35 115.48 1ma1 s TYR 136 Ca 0.00 1.14 -0.16 0.00 -2.44 0.00 0.00 57.07 55.61 1ma1 s TYR 136 Cb 0.00 0.16 0.18 0.00 0.35 0.00 0.00 41.96 42.66 1ma1 s TYR 136 CO 0.00 -0.34 0.92 0.00 -1.34 0.00 0.00 175.55 174.78 1ma1 n GLN 138 N 5.05 0.00 0.31 0.00 10.64 -1.26 0.16 117.38 132.27 1ma1 n GLN 138 Ca 0.18 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.18 1ma1 n GLN 138 Cb 0.48 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.77 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 -0.71 -0.02 2.61 9.65 -1.96 -3.07 114.38 120.87 1ma1 h ARG 139 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1ma1 h ARG 139 Cb 0.00 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1ma1 h ARG 139 CO 0.00 -0.47 -0.14 0.25 2.80 0.00 0.00 179.97 182.41 1ma1 n THR 140 N -5.41 0.00 -3.36 0.20 -2.24 -1.02 -4.97 114.28 97.47 1ma1 n THR 140 Ca -0.12 -0.34 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1ma1 n THR 140 Cb 0.30 1.09 0.07 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.54 -4.06 -4.11 3.42 2.03 0.42 -5.01 116.55 109.78 1ma1 n ASP 141 Ca 0.14 -0.51 -0.22 0.00 0.52 0.00 0.00 54.79 54.72 1ma1 n ASP 141 Cb 0.49 -4.51 -0.15 0.00 -0.72 0.00 0.00 41.12 36.23 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 -5.70 1.18 0.17 -0.67 0.52 -0.98 -4.97 118.95 108.50 1ma1 s ARG 142 Ca 0.27 -0.50 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 1ma1 s ARG 142 Cb -0.12 -1.13 -0.09 0.00 0.52 0.00 0.00 34.95 34.13 1ma1 s ARG 142 CO 0.64 0.29 1.40 -0.51 0.02 0.00 0.00 175.30 177.14 1ma1 s LEU 143 N -0.28 4.39 0.09 2.53 1.43 -1.26 -0.20 118.68 125.38 1ma1 s LEU 143 Ca 0.04 2.45 0.08 0.00 -1.03 0.00 0.00 54.13 55.67 1ma1 s LEU 143 Cb -0.06 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1ma1 s LEU 143 CO -0.00 -0.64 -0.16 -0.36 0.23 0.00 0.00 176.35 175.41 1ma1 s PHE 144 N 0.59 2.60 -0.12 0.29 2.99 0.26 -4.92 117.98 119.66 1ma1 s PHE 144 Ca 0.62 -0.23 -0.05 0.00 0.00 0.00 0.00 56.93 57.27 1ma1 s PHE 144 Cb -0.39 -1.40 -0.04 0.00 0.00 0.00 0.00 43.02 41.19 1ma1 s PHE 144 CO 0.35 0.36 0.07 0.42 -0.00 0.00 0.00 175.22 176.42 1ma1 s ILE 145 N -1.10 4.86 0.07 0.64 1.01 -1.26 -0.28 121.20 125.14 1ma1 s ILE 145 Ca 0.18 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1ma1 s ILE 145 Cb -0.11 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1ma1 s ILE 145 CO 0.10 0.57 -0.24 0.00 0.00 0.00 0.00 174.94 175.37 1ma1 s MET 146 N -0.62 1.77 -0.46 2.79 0.23 -0.01 -4.99 119.30 118.02 1ma1 s MET 146 Ca 0.11 -1.14 -0.11 0.00 -1.03 0.00 0.00 55.69 53.53 1ma1 s MET 146 Cb -0.12 -2.02 0.10 0.00 -1.53 0.00 0.00 34.83 31.26 1ma1 s MET 146 CO 0.02 0.50 0.34 -1.14 -2.03 0.00 0.00 175.02 172.71 1ma1 s GLN 147 N -1.52 2.66 -0.18 3.16 0.74 -1.26 -1.49 119.66 121.78 1ma1 s GLN 147 Ca 0.13 -1.58 -0.25 0.00 0.05 0.00 0.00 55.36 53.72 1ma1 s GLN 147 Cb -0.10 -3.94 -0.01 0.00 1.10 0.00 0.00 33.01 30.05 1ma1 s GLN 147 CO 0.04 -1.09 0.81 0.08 -0.55 0.00 0.00 175.29 174.58 1ma1 s VAL 148 N 1.46 4.89 0.35 1.34 1.01 -0.38 -4.71 120.40 124.36 1ma1 s VAL 148 Ca 0.04 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 1ma1 s VAL 148 Cb -0.25 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 1ma1 s VAL 148 CO 0.02 0.02 0.74 -1.61 0.00 0.00 0.00 175.10 174.28 1ma1 s GLU 149 N 2.20 3.93 0.93 2.72 2.02 -0.44 0.26 118.70 130.32 1ma1 s GLU 149 Ca 0.37 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1ma1 s GLU 149 Cb -0.16 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1ma1 s GLU 149 CO 0.11 0.10 0.00 1.63 0.02 0.00 0.00 175.26 177.12 1ma1 n LYS 150 N -0.67 0.00 -0.03 1.61 5.02 -0.15 -1.77 118.16 122.18 1ma1 n LYS 150 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1ma1 n LYS 150 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.57 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 0.07 -1.57 2.13 8.25 -1.26 -4.25 115.22 132.58 1ma1 n HIS 151 Ca 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 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 -0.33 0.00 -4.34 0.41 6.94 -1.01 -4.47 115.26 112.46 1ma1 n ASN 152 Ca 0.02 -0.71 -0.32 0.00 -0.02 0.00 0.00 54.58 53.54 1ma1 n ASN 152 Cb 0.27 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.54 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 2.46 -1.25 3.53 1.01 -0.73 -4.64 120.40 120.78 1ma1 s VAL 153 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1ma1 s VAL 153 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1ma1 s VAL 153 CO 0.00 0.57 1.06 0.59 0.00 0.00 0.00 175.10 177.32 1ma1 n ASN 154 N 2.82 -3.44 -4.45 3.32 3.02 -1.26 -1.32 115.26 113.94 1ma1 n ASN 154 Ca -0.17 -0.59 -0.32 0.00 -0.03 0.00 0.00 54.58 53.47 1ma1 n ASN 154 Cb 0.52 -5.09 -0.13 0.00 -0.61 0.00 0.00 39.78 34.47 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 -3.35 2.81 -0.35 2.41 0.11 -1.26 -4.46 120.40 116.32 1ma1 s VAL 155 Ca 0.19 -0.98 -0.26 0.00 -2.93 0.00 0.00 61.98 58.00 1ma1 s VAL 155 Cb -0.08 -2.13 0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1ma1 s VAL 155 CO 0.73 0.47 0.91 -0.63 -3.33 0.00 0.00 175.10 173.25 1ma1 s ILE 156 N -0.81 4.63 0.48 7.04 1.01 -1.26 -5.00 121.20 127.28 1ma1 s ILE 156 Ca 0.13 1.26 -0.23 0.00 0.00 0.00 0.00 60.65 61.80 1ma1 s ILE 156 Cb -0.10 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 1ma1 s ILE 156 CO 0.03 -0.46 1.20 -0.81 0.00 0.00 0.00 174.94 174.90 1ma1 n PRO 157 N 6.64 1.63 0.00 2.79 -0.04 -1.26 -2.89 135.00 141.87 1ma1 n PRO 157 Ca 0.07 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1ma1 n PRO 157 Cb 0.48 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 -0.66 0.00 -2.64 0.54 -0.00 -1.26 -5.01 115.22 106.19 1ma1 n HIS 158 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.43 1ma1 n HIS 158 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.36 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 -1.60 3.62 0.16 1.57 0.40 -1.14 -5.03 117.98 115.96 1ma1 s PHE 159 Ca 0.00 1.76 0.02 0.00 -0.60 0.00 0.00 56.93 58.11 1ma1 s PHE 159 Cb 0.00 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1ma1 s PHE 159 CO 0.00 -0.13 0.29 1.03 0.70 0.00 0.00 175.22 177.12 1ma1 s ARG 160 N -1.83 3.44 -0.09 0.44 0.52 -1.26 -5.00 118.95 115.17 1ma1 s ARG 160 Ca 0.49 -0.60 -0.21 0.00 -0.52 0.00 0.00 55.73 54.89 1ma1 s ARG 160 Cb -0.24 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1ma1 s ARG 160 CO 0.31 0.51 0.58 0.42 0.02 0.00 0.00 175.30 177.14 1ma1 s ILE 161 N -1.76 5.12 -0.18 1.52 1.01 -1.26 -4.36 121.20 121.29 1ma1 s ILE 161 Ca 0.35 1.18 -0.09 0.00 0.00 0.00 0.00 60.65 62.09 1ma1 s ILE 161 Cb -0.11 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1ma1 s ILE 161 CO 0.29 0.29 -0.23 0.18 0.00 0.00 0.00 174.94 175.47 1ma1 n LEU 162 N 3.72 1.26 -3.88 2.97 4.77 -0.48 -4.92 117.00 120.45 1ma1 n LEU 162 Ca -0.04 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1ma1 n LEU 162 Cb 0.51 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1ma1 n LEU 162 CO 0.45 0.35 -0.32 -0.22 -1.33 0.00 0.00 177.39 176.32 1ma1 s LEU 163 N -6.98 1.90 -0.04 2.23 0.20 -1.19 -4.57 118.68 110.24 1ma1 s LEU 163 Ca -0.25 -0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 1ma1 s LEU 163 Cb 0.09 0.15 0.02 0.00 -0.43 0.00 0.00 46.19 46.03 1ma1 s LEU 163 CO 0.31 -0.07 0.08 -0.69 -0.29 0.00 0.00 176.35 175.69 1ma1 s VAL 164 N -0.27 -0.03 -0.20 1.68 1.01 -1.26 -0.40 120.40 120.93 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 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.27 1ma1 s VAL 164 CO -0.00 0.05 -0.01 -0.22 0.00 0.00 0.00 175.10 174.92 1ma1 s LEU 165 N 0.65 1.66 0.18 3.92 2.96 -0.26 -4.71 118.68 123.09 1ma1 s LEU 165 Ca -0.05 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 1ma1 s LEU 165 Cb -0.07 -0.83 -0.08 0.00 0.50 0.00 0.00 46.19 45.71 1ma1 s LEU 165 CO -0.03 -0.26 1.24 -0.62 -1.32 0.00 0.00 176.35 175.37 1ma1 s ASP 166 N 1.68 7.01 -0.00 3.68 -1.08 -1.26 -2.27 116.67 124.43 1ma1 s ASP 166 Ca -0.02 2.28 0.00 0.00 -0.52 0.00 0.00 52.55 54.29 1ma1 s ASP 166 Cb -0.17 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1ma1 s ASP 166 CO -0.07 -0.44 0.63 0.55 0.52 0.00 0.00 175.17 176.36 1ma1 n VAL 167 N 2.70 0.21 -1.45 1.11 3.14 -0.06 -4.93 118.33 119.06 1ma1 n VAL 167 Ca 0.05 -0.22 -0.45 0.00 -2.96 0.00 0.00 64.34 60.77 1ma1 n VAL 167 Cb 0.44 0.86 -0.01 0.00 -1.06 0.00 0.00 33.84 34.06 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 -0.11 -0.27 0.24 1.45 7.02 -1.00 -4.39 117.44 120.37 1ma1 n TRP 168 Ca 0.00 0.78 0.07 0.00 -1.02 0.00 0.00 57.50 57.32 1ma1 n TRP 168 Cb 0.47 -2.01 0.56 0.00 -2.42 0.00 0.00 31.31 27.91 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 1.10 0.00 0.00 -0.99 5.08 -1.94 -1.64 114.58 116.19 1ma1 h GLU 169 Ca -0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1ma1 h GLU 169 Cb 1.41 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1ma1 h GLU 169 CO 0.55 0.10 0.00 1.12 -1.00 0.00 0.00 179.01 179.78 1ma1 h HIS 170 N 0.00 0.00 0.00 4.33 2.07 -2.00 -0.41 115.15 119.14 1ma1 h HIS 170 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ma1 h HIS 170 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 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 -1.81 2.29 -0.53 6.11 0.00 -0.62 -4.44 120.51 121.52 1ma1 n ALA 171 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ma1 n ALA 171 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.20 0.00 0.20 0.00 0.18 -0.91 -4.92 117.16 109.52 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 0.42 0.00 0.44 0.00 -0.38 0.00 0.00 39.34 39.82 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 -0.25 -3.48 3.20 -1.29 0.44 116.97 115.59 1ma1 h TYR 173 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1ma1 h TYR 173 Cb 0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1ma1 h TYR 173 CO 0.00 0.31 -0.08 0.82 -1.64 0.00 0.00 178.16 177.57 1ma1 h ILE 174 N 0.00 1.29 0.07 1.81 2.04 -1.87 0.46 117.51 121.31 1ma1 h ILE 174 Ca -0.00 -1.11 -0.27 0.00 1.00 0.00 0.00 64.86 64.48 1ma1 h ILE 174 Cb 0.60 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1ma1 h ILE 174 CO 0.04 0.35 -1.36 0.44 0.00 0.00 0.00 178.15 177.62 1ma1 h ASP 175 N 0.24 0.23 0.00 1.72 3.32 -1.77 -3.40 116.42 116.76 1ma1 h ASP 175 Ca 0.06 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1ma1 h ASP 175 Cb 0.56 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ma1 h ASP 175 CO 0.03 1.24 0.00 -1.22 -1.72 0.00 0.00 179.24 177.57 1ma1 n TYR 176 N -3.38 0.00 0.00 4.55 4.02 0.15 -5.09 117.16 117.41 1ma1 n TYR 176 Ca -0.10 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 1ma1 n TYR 176 Cb 1.01 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 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 -0.09 0.00 0.00 -0.72 5.12 0.15 -0.45 116.66 120.66 1ma1 n ARG 177 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1ma1 n ARG 177 Cb 0.16 0.00 0.51 0.00 -1.16 0.00 0.00 32.46 31.97 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 3.11 0.00 -3.81 0.55 6.94 -1.26 -4.35 115.26 116.44 1ma1 n ASN 178 Ca 0.00 0.49 -0.42 0.00 -0.02 0.00 0.00 54.58 54.62 1ma1 n ASN 178 Cb 0.00 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.49 4.54 -0.22 3.53 0.31 0.40 -4.76 118.33 120.63 1ma1 n VAL 179 Ca 0.06 -4.48 0.14 0.00 -0.01 0.00 0.00 64.34 60.05 1ma1 n VAL 179 Cb 0.28 -2.30 0.44 0.00 -0.91 0.00 0.00 33.84 31.35 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 5.55 0.53 -0.49 5.55 2.43 -1.82 -1.68 114.38 124.45 1ma1 h ARG 180 Ca 0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1ma1 h ARG 180 Cb 0.58 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1ma1 h ARG 180 CO 1.59 0.35 0.32 -1.35 -1.51 0.00 0.00 179.97 179.38 1ma1 h PRO 181 N 0.55 0.64 -0.48 0.20 0.11 -1.95 0.07 132.00 131.13 1ma1 h PRO 181 Ca 0.42 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.37 1ma1 h PRO 181 Cb 0.81 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1ma1 h PRO 181 CO -0.17 0.42 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.43 1ma1 h ASP 182 N 0.66 0.99 -0.02 -2.05 3.32 -1.71 -0.48 116.42 117.13 1ma1 h ASP 182 Ca 0.18 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ma1 h ASP 182 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1ma1 h ASP 182 CO -0.04 1.15 0.01 0.22 -1.72 0.00 0.00 179.24 178.86 1ma1 h TYR 183 N 0.82 0.02 -0.89 4.55 5.03 -1.39 0.07 116.97 125.18 1ma1 h TYR 183 Ca 0.11 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.49 1ma1 h TYR 183 Cb 0.75 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.96 1ma1 h TYR 183 CO 0.05 0.08 0.58 0.28 -1.32 0.00 0.00 178.16 177.84 1ma1 h VAL 184 N -0.04 1.07 -0.33 1.81 2.07 -0.91 -1.86 116.25 118.07 1ma1 h VAL 184 Ca 0.01 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ma1 h VAL 184 Cb 0.07 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ma1 h VAL 184 CO -0.00 0.19 -0.01 -0.08 0.02 0.00 0.00 177.57 177.68 1ma1 h GLU 185 N 1.03 0.59 -0.26 1.57 4.57 -0.82 -2.79 114.58 118.46 1ma1 h GLU 185 Ca 0.38 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1ma1 h GLU 185 Cb 0.18 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ma1 h GLU 185 CO -0.14 0.72 0.18 0.00 -1.18 0.00 0.00 179.01 178.59 1ma1 h ALA 186 N 0.84 2.02 -0.46 2.92 0.00 -0.47 -2.90 119.26 121.20 1ma1 h ALA 186 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ma1 h ALA 186 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ma1 h ALA 186 CO 0.02 -0.07 0.27 0.35 0.00 0.00 0.00 179.25 179.82 1ma1 h PHE 187 N 0.18 0.60 0.00 0.00 3.57 -1.06 -1.09 116.94 119.14 1ma1 h PHE 187 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ma1 h PHE 187 Cb 0.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ma1 h PHE 187 CO -0.00 0.41 0.00 0.91 -2.23 0.00 0.00 178.31 177.40 1ma1 n TRP 188 N -4.43 0.86 0.24 0.41 7.02 -1.10 -1.36 117.44 119.08 1ma1 n TRP 188 Ca 0.04 0.35 0.13 0.00 -1.02 0.00 0.00 57.50 57.00 1ma1 n TRP 188 Cb 0.08 -1.07 0.38 0.00 -2.42 0.00 0.00 31.31 28.28 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 -1.37 -3.36 115.58 112.21 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 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ma1 h ASN 189 CO 0.00 0.04 0.00 2.30 -1.65 0.00 0.00 177.43 178.12 1ma1 n ILE 190 N -3.12 0.75 -1.70 2.81 -5.35 -0.46 -3.03 119.36 109.24 1ma1 n ILE 190 Ca 0.02 -0.76 -0.42 0.00 -0.27 0.00 0.00 62.75 61.32 1ma1 n ILE 190 Cb 0.45 0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 38.96 1ma1 n ILE 190 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1ma1 n VAL 191 N -0.37 0.22 -2.96 7.28 0.31 -0.99 -0.95 118.33 120.87 1ma1 n VAL 191 Ca 0.00 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 63.85 1ma1 n VAL 191 Cb 0.29 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 1ma1 n VAL 191 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ma1 s ASN 192 N 2.10 6.61 0.41 4.52 3.84 -0.45 -0.87 114.94 131.10 1ma1 s ASN 192 Ca 0.79 -2.04 0.20 0.00 0.21 0.00 0.00 52.86 52.02 1ma1 s ASN 192 Cb -0.49 -2.38 0.86 0.00 -0.55 0.00 0.00 41.25 38.68 1ma1 s ASN 192 CO 0.35 -1.04 1.82 -0.50 -2.79 0.00 0.00 177.10 174.95 1ma1 h TRP 193 N 8.78 0.00 -0.32 0.43 4.06 -1.87 -2.63 115.95 124.40 1ma1 h TRP 193 Ca 0.12 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.13 1ma1 h TRP 193 Cb 1.03 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.13 1ma1 h TRP 193 CO 1.14 0.31 -0.05 0.87 -3.56 0.00 0.00 178.44 177.15 1ma1 h LYS 194 N 0.00 0.04 -0.38 0.49 1.79 -1.96 0.23 116.57 116.78 1ma1 h LYS 194 Ca -0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1ma1 h LYS 194 Cb 0.73 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1ma1 h LYS 194 CO 0.04 0.02 0.10 1.49 -1.08 0.00 0.00 179.45 180.02 1ma1 h GLU 195 N 0.04 0.60 -0.33 3.15 4.57 -1.80 -0.10 114.58 120.71 1ma1 h GLU 195 Ca 0.16 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1ma1 h GLU 195 Cb 0.23 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1ma1 h GLU 195 CO -0.31 0.63 0.07 0.28 -1.18 0.00 0.00 179.01 178.50 1ma1 h VAL 196 N 0.46 1.22 -0.60 0.32 2.07 -1.29 0.30 116.25 118.74 1ma1 h VAL 196 Ca 0.12 -0.76 0.12 0.00 0.82 0.00 0.00 66.70 67.00 1ma1 h VAL 196 Cb 0.29 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 1ma1 h VAL 196 CO -0.00 0.25 0.01 -0.33 0.02 0.00 0.00 177.57 177.52 1ma1 h GLU 197 N 0.37 0.12 0.13 1.57 5.08 -0.41 -0.41 114.58 121.03 1ma1 h GLU 197 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ma1 h GLU 197 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ma1 h GLU 197 CO 0.00 0.08 -0.06 -0.22 -1.00 0.00 0.00 179.01 177.81 1ma1 h LYS 198 N 0.12 -0.17 -0.93 2.33 3.64 -0.44 -2.23 116.57 118.90 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 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1ma1 h LYS 198 CO -0.51 -0.06 0.50 0.00 -2.27 0.00 0.00 179.45 177.11 1ma1 h ARG 199 N -0.23 0.60 0.00 1.90 3.08 -0.61 -1.36 114.38 117.76 1ma1 h ARG 199 Ca -0.02 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1ma1 h ARG 199 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ma1 h ARG 199 CO 0.03 0.39 -0.54 0.35 -1.07 0.00 0.00 179.97 179.13 1ma1 h PHE 200 N 0.61 0.00 0.00 3.04 3.57 -0.66 -2.86 116.94 120.65 1ma1 h PHE 200 Ca 0.54 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.91 1ma1 h PHE 200 Cb 0.89 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1ma1 h PHE 200 CO -0.06 0.54 -0.62 0.93 -2.23 0.00 0.00 178.31 176.86 1ma1 h GLU 201 N 0.00 0.00 -0.00 1.11 5.08 -0.66 -3.02 114.58 117.09 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 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ma1 h GLU 201 CO 0.07 0.62 0.00 -0.25 -1.00 0.00 0.00 179.01 178.45 1ma1 n ASP 202 N -3.71 0.02 -0.27 1.42 8.00 -1.08 -2.24 116.55 118.69 1ma1 n ASP 202 Ca -0.01 -1.63 0.04 0.00 0.71 0.00 0.00 54.79 53.90 1ma1 n ASP 202 Cb 0.64 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.68 0.75 -0.41 0.53 -5.35 -1.15 -5.12 119.36 107.94 1ma1 n ILE 203 Ca 0.09 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1ma1 n ILE 203 Cb 0.04 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1ma1 n ILE 203 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79