#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m5b s ILE 6 N 0.00 4.92 -0.12 0.52 1.01 -0.92 -4.91 121.20 121.69 3m5b s ILE 6 Ca 0.00 1.38 -0.00 0.00 0.00 0.00 0.00 60.65 62.03 3m5b s ILE 6 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3m5b s ILE 6 CO 0.00 0.35 -0.13 -0.60 0.00 0.00 0.00 174.94 174.57 3m5b s ARG 7 N 0.16 3.34 -0.35 2.79 3.52 -1.26 -1.00 118.95 126.15 3m5b s ARG 7 Ca 0.34 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 55.18 3m5b s ARG 7 Cb -0.18 -2.63 0.03 0.00 -1.56 0.00 0.00 34.95 30.61 3m5b s ARG 7 CO 0.19 0.25 0.15 -0.51 -0.81 0.00 0.00 175.30 174.57 3m5b s LEU 8 N 0.27 4.46 0.31 -0.88 1.43 0.24 -4.98 118.68 119.53 3m5b s LEU 8 Ca -0.09 -1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 51.73 3m5b s LEU 8 Cb -0.15 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 3m5b s LEU 8 CO 0.05 -0.34 1.07 -2.84 0.23 0.00 0.00 176.35 174.52 3m5b s PRO 9 N 1.49 4.52 -0.15 1.29 0.02 -1.26 -2.07 135.00 138.84 3m5b s PRO 9 Ca 0.01 1.68 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 3m5b s PRO 9 Cb -0.19 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 3m5b s PRO 9 CO 0.05 0.13 0.26 0.45 -0.33 0.00 0.00 177.00 177.56 3m5b s SER 10 N -1.12 6.43 -0.00 2.53 0.15 -1.26 -4.98 113.70 115.45 3m5b s SER 10 Ca 0.48 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.64 3m5b s SER 10 Cb -0.28 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3m5b s SER 10 CO 0.36 0.17 0.92 -0.81 1.20 0.00 0.00 173.24 175.08 3m5b n PRO 11 N 3.21 1.07 0.00 5.44 -0.04 -1.26 -3.69 135.00 139.73 3m5b n PRO 11 Ca -0.14 -0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.30 3m5b n PRO 11 Cb 0.52 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.89 3m5b n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3m5b n TYR 12 N -0.34 0.00 0.04 0.54 4.01 -1.26 -4.67 117.16 115.48 3m5b n TYR 12 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3m5b n TYR 12 Cb 0.07 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.12 3m5b n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m5b n GLY 13 N 0.95 -0.43 0.03 2.72 0.00 -1.24 -2.60 105.19 104.62 3m5b n GLY 13 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3m5b n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m5b n SER 14 N -1.40 1.73 -4.65 1.61 7.64 -1.26 -4.89 113.62 112.40 3m5b n SER 14 Ca 0.00 -2.09 -0.43 0.00 1.01 0.00 0.00 58.87 57.37 3m5b n SER 14 Cb 0.01 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 3m5b n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3m5b s ASP 15 N -1.24 7.04 0.23 6.43 -1.08 -1.07 -4.95 116.67 122.03 3m5b s ASP 15 Ca 0.06 1.29 -0.08 0.00 -0.52 0.00 0.00 52.55 53.30 3m5b s ASP 15 Cb 0.06 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.19 3m5b s ASP 15 CO 0.01 -0.67 1.86 0.08 0.52 0.00 0.00 175.17 176.96 3m5b h ARG 16 N 7.56 1.21 -0.18 4.34 0.11 -1.93 -0.22 114.38 125.27 3m5b h ARG 16 Ca -0.20 -0.13 -0.17 0.00 0.10 0.00 0.00 59.98 59.59 3m5b h ARG 16 Cb 1.06 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 3m5b h ARG 16 CO 0.97 0.87 -0.57 1.25 0.10 0.00 0.00 179.97 182.59 3m5b h LEU 17 N 1.22 0.62 -0.52 0.08 5.85 -1.98 -1.84 115.31 118.74 3m5b h LEU 17 Ca 0.31 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3m5b h LEU 17 Cb -0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3m5b h LEU 17 CO -0.05 1.06 0.23 0.58 -0.34 0.00 0.00 178.44 179.91 3m5b h VAL 18 N 0.42 1.21 -0.32 1.05 2.07 -1.77 -0.83 116.25 118.08 3m5b h VAL 18 Ca 0.00 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3m5b h VAL 18 Cb 1.12 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3m5b h VAL 18 CO 0.11 0.24 -0.08 1.56 0.02 0.00 0.00 177.57 179.42 3m5b h GLN 19 N 0.70 0.00 -0.32 1.57 4.20 -0.96 -1.26 115.11 119.04 3m5b h GLN 19 Ca 0.18 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.90 3m5b h GLN 19 Cb 0.17 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3m5b h GLN 19 CO -0.02 0.00 0.17 1.25 -0.67 0.00 0.00 178.83 179.57 3m5b h LEU 20 N 0.00 0.27 -1.21 1.46 5.85 -1.24 -2.29 115.31 118.15 3m5b h LEU 20 Ca 0.15 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3m5b h LEU 20 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3m5b h LEU 20 CO -0.33 0.20 0.54 0.00 -0.34 0.00 0.00 178.44 178.51 3m5b h ALA 21 N 1.15 1.47 -0.52 1.25 0.00 -0.95 -1.27 119.26 120.38 3m5b h ALA 21 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3m5b h ALA 21 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3m5b h ALA 21 CO -0.07 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.66 3m5b h ALA 22 N 1.51 1.04 -0.26 0.00 0.00 -0.96 -1.99 119.26 118.60 3m5b h ALA 22 Ca 0.32 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3m5b h ALA 22 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3m5b h ALA 22 CO -0.09 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.25 3m5b h ARG 23 N 0.81 0.73 -0.24 0.00 3.08 -1.05 -3.34 114.38 114.38 3m5b h ARG 23 Ca 0.16 -0.44 -0.14 0.00 0.07 0.00 0.00 59.98 59.62 3m5b h ARG 23 Cb 0.47 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3m5b h ARG 23 CO 0.02 1.07 -0.40 -0.07 -1.07 0.00 0.00 179.97 179.52 3m5b h LEU 24 N 0.57 0.76 -9.47 3.04 3.38 -1.01 -3.47 115.31 109.11 3m5b h LEU 24 Ca 0.02 -0.53 -0.61 0.00 0.09 0.00 0.00 57.88 56.85 3m5b h LEU 24 Cb 1.09 -0.22 0.08 0.00 0.09 0.00 0.00 40.66 41.70 3m5b h LEU 24 CO 0.11 1.14 0.44 -2.11 0.09 0.00 0.00 178.44 178.11 3m5b n ARG 25 N -4.21 1.62 -0.03 1.13 1.85 -0.77 -1.09 116.66 115.16 3m5b n ARG 25 Ca -0.05 0.57 0.10 0.00 -1.00 0.00 0.00 57.85 57.47 3m5b n ARG 25 Cb 0.54 -2.15 0.49 0.00 -1.05 0.00 0.00 32.46 30.29 3m5b n ARG 25 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3m5b n PRO 26 N 1.83 1.26 -1.77 2.89 -0.04 -1.26 -5.05 135.00 132.87 3m5b n PRO 26 Ca 0.13 -0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 3m5b n PRO 26 Cb 0.28 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 3m5b n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m5b s ALA 27 N -1.93 3.79 0.00 0.55 0.00 -0.25 -2.59 121.76 121.34 3m5b s ALA 27 Ca 0.29 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3m5b s ALA 27 Cb 0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3m5b s ALA 27 CO 0.23 -0.97 0.00 1.28 0.00 0.00 0.00 175.76 176.30 3m5b n LEU 28 N 2.61 0.40 -4.71 0.00 4.77 -1.26 -4.88 117.00 113.94 3m5b n LEU 28 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 3m5b n LEU 28 Cb 0.37 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 3m5b n LEU 28 CO 0.64 -0.26 1.25 0.00 -1.33 0.00 0.00 177.39 177.69 3m5b n ASP 30 N 4.45 1.97 -4.35 0.00 5.75 -1.07 -4.92 116.55 118.39 3m5b n ASP 30 Ca 0.14 -1.48 -0.31 0.00 -0.01 0.00 0.00 54.79 53.13 3m5b n ASP 30 Cb 0.39 0.22 -0.15 0.00 -1.03 0.00 0.00 41.12 40.55 3m5b n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m5b s THR 31 N -1.55 2.20 -0.25 2.12 2.01 -0.64 -0.88 115.64 118.65 3m5b s THR 31 Ca 0.16 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 3m5b s THR 31 Cb 0.13 -1.82 0.08 0.00 0.01 0.00 0.00 72.50 70.89 3m5b s THR 31 CO 0.28 0.47 0.04 -0.22 -0.69 0.00 0.00 174.62 174.50 3m5b s LEU 32 N -0.97 1.91 -0.18 4.42 2.96 -0.87 -1.28 118.68 124.66 3m5b s LEU 32 Ca 0.11 -1.22 -0.13 0.00 -0.22 0.00 0.00 54.13 52.67 3m5b s LEU 32 Cb -0.10 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 3m5b s LEU 32 CO 0.01 -0.33 0.26 -0.63 -1.32 0.00 0.00 176.35 174.34 3m5b s ILE 33 N 1.66 5.32 -0.17 6.68 1.01 -0.35 -1.56 121.20 133.79 3m5b s ILE 33 Ca 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 3m5b s ILE 33 Cb -0.18 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3m5b s ILE 33 CO -0.14 0.37 -0.05 -0.89 0.00 0.00 0.00 174.94 174.23 3m5b s THR 34 N 0.65 3.63 -0.32 2.92 2.01 0.31 -1.21 115.64 123.63 3m5b s THR 34 Ca 0.14 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3m5b s THR 34 Cb -0.13 -2.60 0.10 0.00 0.01 0.00 0.00 72.50 69.88 3m5b s THR 34 CO 0.03 0.48 0.08 -0.69 -0.69 0.00 0.00 174.62 173.83 3m5b s VAL 35 N 0.66 1.42 0.00 3.82 1.01 -0.42 -0.48 120.40 126.41 3m5b s VAL 35 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3m5b s VAL 35 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3m5b s VAL 35 CO 0.02 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.09 3m5b n GLY 36 N 4.61 3.75 0.13 4.51 0.00 -1.26 -1.42 105.19 115.52 3m5b n GLY 36 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3m5b n GLY 36 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3m5b h SER 37 N 0.00 0.00 -3.35 1.61 0.87 -2.00 -3.48 113.55 107.19 3m5b h SER 37 Ca 0.00 -0.05 -0.55 0.00 -1.23 0.00 0.00 61.79 59.96 3m5b h SER 37 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3m5b h SER 37 CO 0.00 0.03 -0.14 -1.10 -0.53 0.00 0.00 176.83 175.09 3m5b s GLN 38 N -3.20 3.82 -0.11 2.24 -0.21 -0.51 -5.10 119.66 116.60 3m5b s GLN 38 Ca 0.06 0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.74 3m5b s GLN 38 Cb 0.10 -2.76 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 3m5b s GLN 38 CO 0.69 0.39 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.87 3m5b s GLU 39 N -2.52 3.15 -0.30 2.91 2.02 -1.26 -1.30 118.70 121.40 3m5b s GLU 39 Ca 0.43 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.68 3m5b s GLU 39 Cb -0.12 -2.48 0.09 0.00 0.10 0.00 0.00 34.13 31.71 3m5b s GLU 39 CO 0.21 0.26 0.03 -0.06 0.02 0.00 0.00 175.26 175.72 3m5b s PHE 40 N 0.20 2.70 0.52 1.61 0.40 -0.35 -5.00 117.98 118.06 3m5b s PHE 40 Ca -0.10 -2.23 -0.22 0.00 -0.60 0.00 0.00 56.93 53.79 3m5b s PHE 40 Cb -0.16 -2.13 -0.06 0.00 0.51 0.00 0.00 43.02 41.18 3m5b s PHE 40 CO 0.06 -0.87 1.23 -2.14 0.70 0.00 0.00 175.22 174.19 3m5b s PRO 41 N 1.28 3.40 0.21 0.24 0.02 -1.26 -1.20 135.00 137.68 3m5b s PRO 41 Ca 0.05 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 62.78 3m5b s PRO 41 Cb -0.18 -2.24 0.04 0.00 0.02 0.00 0.00 34.50 32.13 3m5b s PRO 41 CO -0.13 -0.88 0.60 0.00 -0.33 0.00 0.00 177.00 176.26 3m5b s ALA 42 N -1.50 -1.23 -0.36 -1.55 0.00 -0.40 -4.95 121.76 111.77 3m5b s ALA 42 Ca 0.69 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 3m5b s ALA 42 Cb -0.32 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3m5b s ALA 42 CO 0.37 -0.86 0.35 -1.01 0.00 0.00 0.00 175.76 174.62 3m5b s HIS 43 N -3.85 3.21 0.37 0.00 3.76 -1.26 -1.62 115.29 115.90 3m5b s HIS 43 Ca 0.07 -0.14 0.13 0.00 -0.15 0.00 0.00 55.06 54.97 3m5b s HIS 43 Cb -0.02 -2.67 0.93 0.00 1.11 0.00 0.00 32.58 31.93 3m5b s HIS 43 CO -0.03 -0.47 1.81 0.66 -0.85 0.00 0.00 174.74 175.86 3m5b h SER 44 N 8.52 0.58 -0.36 1.40 4.64 -1.91 -2.05 113.55 124.36 3m5b h SER 44 Ca -0.29 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3m5b h SER 44 Cb 1.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3m5b h SER 44 CO 0.70 0.21 0.16 0.25 -0.87 0.00 0.00 176.83 177.28 3m5b h LEU 45 N 0.57 0.49 -0.21 5.97 5.85 -1.95 -1.13 115.31 124.91 3m5b h LEU 45 Ca 0.53 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.14 3m5b h LEU 45 Cb 1.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3m5b h LEU 45 CO -0.28 0.50 0.02 0.58 -0.34 0.00 0.00 178.44 178.92 3m5b h VAL 46 N 0.44 0.87 -0.63 1.05 2.07 -1.81 -2.65 116.25 115.60 3m5b h VAL 46 Ca 0.12 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3m5b h VAL 46 Cb 0.16 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3m5b h VAL 46 CO -0.01 0.02 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 3m5b h LEU 47 N 0.09 0.49 -1.81 2.57 3.38 -1.28 -1.91 115.31 116.83 3m5b h LEU 47 Ca 0.10 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3m5b h LEU 47 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3m5b h LEU 47 CO -0.15 0.31 0.19 0.00 0.09 0.00 0.00 178.44 178.88 3m5b h ALA 48 N 1.34 1.96 0.00 1.53 0.00 -1.10 -1.13 119.26 121.85 3m5b h ALA 48 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3m5b h ALA 48 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m5b h ALA 48 CO -0.19 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3m5b n GLY 49 N -1.53 -1.24 0.01 0.00 0.00 -0.72 -3.51 105.19 98.20 3m5b n GLY 49 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3m5b n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m5b n VAL 50 N -2.17 0.09 -3.54 1.61 0.31 -0.67 -5.03 118.33 108.93 3m5b n VAL 50 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3m5b n VAL 50 Cb 0.22 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 3m5b n VAL 50 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3m5b s SER 51 N -2.80 -1.13 0.25 4.52 0.15 -0.52 -4.56 113.70 109.60 3m5b s SER 51 Ca -0.01 1.37 -0.05 0.00 0.70 0.00 0.00 55.95 57.96 3m5b s SER 51 Cb 0.02 2.22 0.34 0.00 -1.71 0.00 0.00 66.02 66.88 3m5b s SER 51 CO 0.13 -0.22 1.86 -0.61 1.20 0.00 0.00 173.24 175.61 3m5b h GLN 52 N 7.96 1.00 -0.95 5.44 4.15 -1.82 -2.42 115.11 128.46 3m5b h GLN 52 Ca -0.19 -0.06 0.19 0.00 0.77 0.00 0.00 58.65 59.36 3m5b h GLN 52 Cb 1.11 -0.22 -0.11 0.00 0.21 0.00 0.00 27.48 28.47 3m5b h GLN 52 CO 0.12 0.66 0.53 0.37 -1.93 0.00 0.00 178.83 178.59 3m5b h GLN 53 N 1.03 0.64 0.00 1.69 4.15 -1.93 -2.66 115.11 118.03 3m5b h GLN 53 Ca 0.38 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.76 3m5b h GLN 53 Cb 0.15 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3m5b h GLN 53 CO -0.17 0.43 -0.26 -0.07 -1.93 0.00 0.00 178.83 176.83 3m5b h LEU 54 N 0.66 0.00 -7.37 -2.39 3.38 -1.68 -3.43 115.31 104.48 3m5b h LEU 54 Ca 0.55 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.97 3m5b h LEU 54 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3m5b h LEU 54 CO -0.40 0.01 1.81 0.61 0.09 0.00 0.00 178.44 180.56 3m5b n GLY 55 N 1.20 2.04 3.12 0.83 0.00 -1.00 -4.65 105.19 106.72 3m5b n GLY 55 Ca 0.04 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3m5b n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m5b s ARG 56 N 5.35 0.33 0.52 1.61 1.70 -1.26 -4.87 118.95 122.33 3m5b s ARG 56 Ca 0.61 0.15 0.03 0.00 -0.47 0.00 0.00 55.73 56.05 3m5b s ARG 56 Cb 0.06 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.62 3m5b s ARG 56 CO 0.10 -0.06 0.72 -0.98 -1.08 0.00 0.00 175.30 174.01 3m5b s ARG 57 N -0.25 2.62 0.33 3.89 1.70 -1.26 -4.73 118.95 121.23 3m5b s ARG 57 Ca -0.04 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3m5b s ARG 57 Cb -0.03 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 3m5b s ARG 57 CO 0.01 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.04 3m5b n GLY 58 N -2.22 -2.49 3.76 3.88 0.00 -0.06 -4.91 105.19 103.16 3m5b n GLY 58 Ca 0.08 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3m5b n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m5b s GLN 59 N -0.51 4.23 0.07 1.61 0.74 -1.26 -2.05 119.66 122.48 3m5b s GLN 59 Ca 0.00 0.53 -0.16 0.00 0.05 0.00 0.00 55.36 55.78 3m5b s GLN 59 Cb 0.00 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.79 3m5b s GLN 59 CO 0.00 0.36 0.37 1.67 -0.55 0.00 0.00 175.29 177.14 3m5b s TRP 60 N -0.08 -0.18 -0.16 1.67 1.48 -0.60 -4.97 118.94 116.10 3m5b s TRP 60 Ca 0.27 0.01 -0.08 0.00 -1.06 0.00 0.00 56.10 55.24 3m5b s TRP 60 Cb -0.16 0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.28 3m5b s TRP 60 CO 0.13 -0.59 0.11 0.00 -4.06 0.00 0.00 176.95 172.54 3m5b s ALA 61 N -2.97 3.67 -0.27 2.67 0.00 -1.26 -0.53 121.76 123.07 3m5b s ALA 61 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3m5b s ALA 61 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 3m5b s ALA 61 CO -0.06 0.35 0.19 -0.51 0.00 0.00 0.00 175.76 175.73 3m5b s LEU 62 N -0.20 4.04 0.00 0.00 1.43 0.36 -4.91 118.68 119.41 3m5b s LEU 62 Ca 0.10 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3m5b s LEU 62 Cb -0.12 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3m5b s LEU 62 CO 0.01 -0.03 0.67 0.61 0.23 0.00 0.00 176.35 177.84 3m5b n GLY 63 N 4.87 -0.22 2.01 -3.19 0.00 -1.26 -4.43 105.19 102.96 3m5b n GLY 63 Ca -0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3m5b n GLY 63 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m5b n GLU 64 N -0.04 1.86 -3.42 1.61 1.02 -1.26 -4.61 120.64 115.80 3m5b n GLU 64 Ca 0.01 -1.40 -0.25 0.00 -0.02 0.00 0.00 57.16 55.51 3m5b n GLU 64 Cb 0.10 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.83 3m5b n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m5b n GLY 65 N 1.10 -0.51 3.57 0.62 0.00 -1.26 -5.00 105.19 103.70 3m5b n GLY 65 Ca 0.32 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 3m5b n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m5b s ILE 66 N -3.18 4.65 0.53 -0.61 1.01 -1.26 -5.05 121.20 117.29 3m5b s ILE 66 Ca 0.47 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.90 3m5b s ILE 66 Cb -0.22 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 3m5b s ILE 66 CO 0.58 0.41 0.97 -0.94 0.00 0.00 0.00 174.94 175.95 3m5b s SER 67 N 0.87 6.51 0.39 3.58 1.04 -1.26 -4.89 113.70 119.94 3m5b s SER 67 Ca 0.04 1.47 0.07 0.00 0.48 0.00 0.00 55.95 58.02 3m5b s SER 67 Cb -0.14 -2.47 0.82 0.00 0.10 0.00 0.00 66.02 64.33 3m5b s SER 67 CO 0.03 -0.63 2.00 -0.65 0.98 0.00 0.00 173.24 174.97 3m5b h PRO 68 N 0.65 0.62 -0.65 4.02 0.11 -2.00 -0.97 132.00 133.79 3m5b h PRO 68 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3m5b h PRO 68 Cb 1.19 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3m5b h PRO 68 CO 0.62 0.41 0.33 1.03 -0.21 0.00 0.00 178.00 180.18 3m5b h SER 69 N 0.63 0.83 -0.25 -2.05 0.87 -1.98 -1.49 113.55 110.11 3m5b h SER 69 Ca 0.24 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3m5b h SER 69 Cb 0.16 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3m5b h SER 69 CO -0.07 0.71 -0.17 0.74 -0.53 0.00 0.00 176.83 177.51 3m5b h THR 70 N 0.89 1.31 -0.81 2.23 2.02 -1.86 -2.90 112.91 113.77 3m5b h THR 70 Ca 0.22 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3m5b h THR 70 Cb 0.08 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3m5b h THR 70 CO -0.03 0.40 0.49 0.15 0.37 0.00 0.00 175.52 176.90 3m5b h PHE 71 N 0.26 1.07 -0.75 3.16 3.57 -1.05 -2.32 116.94 120.87 3m5b h PHE 71 Ca 0.05 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3m5b h PHE 71 Cb 0.69 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3m5b h PHE 71 CO 0.07 0.71 0.48 0.00 -2.23 0.00 0.00 178.31 177.33 3m5b h ALA 72 N 1.42 0.98 -0.49 2.41 0.00 -1.23 -0.33 119.26 122.03 3m5b h ALA 72 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3m5b h ALA 72 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3m5b h ALA 72 CO -0.05 0.28 0.19 1.96 0.00 0.00 0.00 179.25 181.62 3m5b h GLN 73 N 0.93 0.73 -0.46 0.00 4.20 -1.28 -1.33 115.11 117.90 3m5b h GLN 73 Ca 0.30 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3m5b h GLN 73 Cb 0.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3m5b h GLN 73 CO -0.11 0.66 0.28 1.25 -0.67 0.00 0.00 178.83 180.24 3m5b h LEU 74 N 0.65 0.55 -0.35 1.46 6.46 -1.09 -1.66 115.31 121.33 3m5b h LEU 74 Ca 0.16 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3m5b h LEU 74 Cb 0.20 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 3m5b h LEU 74 CO -0.01 0.44 0.06 0.25 -0.62 0.00 0.00 178.44 178.55 3m5b h LEU 75 N 0.61 0.56 -0.60 2.25 5.85 -0.96 -1.86 115.31 121.15 3m5b h LEU 75 Ca 0.17 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3m5b h LEU 75 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3m5b h LEU 75 CO -0.03 0.67 0.27 0.78 -0.34 0.00 0.00 178.44 179.79 3m5b h ASN 76 N 0.42 0.34 -0.41 1.25 -0.26 -1.15 -2.28 115.58 113.48 3m5b h ASN 76 Ca 0.11 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.96 3m5b h ASN 76 Cb 0.35 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.56 3m5b h ASN 76 CO 0.01 0.21 0.11 0.15 -1.06 0.00 0.00 177.43 176.85 3m5b h PHE 77 N 0.49 0.19 -0.40 1.19 3.57 -0.91 -1.73 116.94 119.34 3m5b h PHE 77 Ca 0.29 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.84 3m5b h PHE 77 Cb 0.29 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3m5b h PHE 77 CO -0.13 0.05 0.27 0.28 -2.23 0.00 0.00 178.31 176.54 3m5b h VAL 78 N 0.25 1.04 -0.21 1.41 2.07 -1.02 -1.94 116.25 117.86 3m5b h VAL 78 Ca 0.20 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3m5b h VAL 78 Cb 0.22 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3m5b h VAL 78 CO -0.23 0.08 0.00 -1.22 0.02 0.00 0.00 177.57 176.22 3m5b n TYR 79 N -4.48 0.27 -0.03 1.57 4.01 -0.88 -4.93 117.16 112.69 3m5b n TYR 79 Ca 0.04 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3m5b n TYR 79 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3m5b n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m5b n GLY 80 N 1.05 0.85 3.80 2.72 0.00 -0.73 -4.72 105.19 108.16 3m5b n GLY 80 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3m5b n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m5b s GLU 81 N -0.97 4.09 0.62 1.61 2.02 -0.70 -3.99 118.70 121.38 3m5b s GLU 81 Ca 0.00 0.45 -0.18 0.00 0.02 0.00 0.00 54.97 55.26 3m5b s GLU 81 Cb 0.00 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 3m5b s GLU 81 CO 0.00 0.52 1.25 -1.12 0.02 0.00 0.00 175.26 175.92 3m5b s SER 82 N -0.54 4.87 -0.07 -0.19 0.01 -1.26 -3.83 113.70 112.68 3m5b s SER 82 Ca 0.25 2.49 0.01 0.00 1.31 0.00 0.00 55.95 60.01 3m5b s SER 82 Cb -0.16 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 3m5b s SER 82 CO 0.13 -1.82 -0.08 -0.69 0.41 0.00 0.00 173.24 171.19 3m5b s VAL 83 N -1.52 3.55 -0.13 3.43 1.01 -0.88 -4.89 120.40 120.98 3m5b s VAL 83 Ca 0.80 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3m5b s VAL 83 Cb -0.34 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 3m5b s VAL 83 CO 0.37 0.59 -0.19 -1.61 0.00 0.00 0.00 175.10 174.25 3m5b s GLU 84 N -0.64 3.18 0.06 2.72 2.02 -1.26 -0.59 118.70 124.18 3m5b s GLU 84 Ca 0.10 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.35 3m5b s GLU 84 Cb -0.11 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 3m5b s GLU 84 CO 0.02 0.13 -0.17 -0.51 0.02 0.00 0.00 175.26 174.74 3m5b s LEU 85 N 0.50 2.20 0.55 1.80 1.43 -0.17 -4.96 118.68 120.04 3m5b s LEU 85 Ca -0.12 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 3m5b s LEU 85 Cb -0.17 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 3m5b s LEU 85 CO 0.05 0.07 0.99 -1.10 0.23 0.00 0.00 176.35 176.59 3m5b s GLN 86 N -1.35 3.79 0.23 1.70 -1.52 -1.26 -2.16 119.66 119.09 3m5b s GLN 86 Ca 0.04 0.84 -0.08 0.00 -1.95 0.00 0.00 55.36 54.21 3m5b s GLN 86 Cb -0.09 -2.13 0.38 0.00 -0.22 0.00 0.00 33.01 30.96 3m5b s GLN 86 CO 0.02 -0.38 1.67 -1.00 -0.25 0.00 0.00 175.29 175.34 3m5b h PRO 87 N 0.41 0.16 0.00 2.91 0.13 -2.01 0.06 132.00 133.67 3m5b h PRO 87 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3m5b h PRO 87 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3m5b h PRO 87 CO 0.62 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3m5b n GLY 88 N -1.37 -0.90 0.13 1.56 0.00 -1.26 -3.29 105.19 100.06 3m5b n GLY 88 Ca 0.12 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3m5b n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m5b h GLU 89 N 0.00 0.00 0.34 1.61 5.08 -1.36 -3.41 114.58 116.85 3m5b h GLU 89 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3m5b h GLU 89 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3m5b h GLU 89 CO 0.00 0.00 -0.16 1.25 -1.00 0.00 0.00 179.01 179.10 3m5b h LEU 90 N 0.00 -0.39 -0.19 1.33 5.85 -1.65 -2.94 115.31 117.32 3m5b h LEU 90 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3m5b h LEU 90 Cb 0.99 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3m5b h LEU 90 CO 0.00 -0.23 0.12 -0.09 -0.34 0.00 0.00 178.44 177.89 3m5b h ARG 91 N -0.51 0.24 -0.69 1.25 2.43 -1.81 -0.77 114.38 114.51 3m5b h ARG 91 Ca -0.05 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3m5b h ARG 91 Cb 0.39 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3m5b h ARG 91 CO 0.08 0.16 0.46 -1.35 -1.51 0.00 0.00 179.97 177.80 3m5b h PRO 92 N 0.24 0.58 -0.30 0.20 0.11 -1.80 -1.37 132.00 129.66 3m5b h PRO 92 Ca 0.07 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 3m5b h PRO 92 Cb -0.02 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3m5b h PRO 92 CO -0.02 0.39 -0.23 1.25 -0.21 0.00 0.00 178.00 179.18 3m5b h LEU 93 N 0.60 0.72 -0.26 2.35 6.46 -1.25 -1.29 115.31 122.65 3m5b h LEU 93 Ca 0.31 -0.44 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3m5b h LEU 93 Cb 0.43 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 3m5b h LEU 93 CO -0.10 1.01 0.10 -0.61 -0.62 0.00 0.00 178.44 178.23 3m5b h GLN 94 N 0.44 0.23 -0.88 1.25 4.15 -0.88 0.54 115.11 119.96 3m5b h GLN 94 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3m5b h GLN 94 Cb 0.78 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 3m5b h GLN 94 CO 0.06 0.15 0.49 0.93 -1.93 0.00 0.00 178.83 178.53 3m5b h GLU 95 N 0.23 1.22 -0.11 1.69 5.08 -1.18 -0.86 114.58 120.65 3m5b h GLU 95 Ca 0.11 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3m5b h GLU 95 Cb 0.07 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3m5b h GLU 95 CO -0.10 0.88 0.05 0.00 -1.00 0.00 0.00 179.01 178.84 3m5b h ALA 96 N 1.27 0.15 -0.80 3.43 0.00 -0.99 -2.10 119.26 120.22 3m5b h ALA 96 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3m5b h ALA 96 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3m5b h ALA 96 CO -0.05 -0.28 0.45 0.00 0.00 0.00 0.00 179.25 179.37 3m5b h ALA 97 N 0.91 1.02 -0.14 0.00 0.00 -0.67 -1.95 119.26 118.43 3m5b h ALA 97 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3m5b h ALA 97 Cb 0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3m5b h ALA 97 CO -0.00 0.52 -0.20 -0.09 0.00 0.00 0.00 179.25 179.47 3m5b h ARG 98 N 1.10 -0.24 -0.01 0.00 2.43 -1.13 -0.59 114.38 115.94 3m5b h ARG 98 Ca 0.28 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3m5b h ARG 98 Cb 0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3m5b h ARG 98 CO -0.05 -0.16 -0.29 0.00 -1.51 0.00 0.00 179.97 177.96 3m5b h ALA 99 N 0.76 1.50 -0.44 2.80 0.00 -1.16 -2.84 119.26 119.89 3m5b h ALA 99 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3m5b h ALA 99 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3m5b h ALA 99 CO -0.29 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.62 3m5b n LEU 100 N -4.19 3.47 -2.54 0.00 4.77 -0.75 -4.99 117.00 112.76 3m5b n LEU 100 Ca -0.02 -1.53 -0.21 0.00 -0.03 0.00 0.00 56.01 54.22 3m5b n LEU 100 Cb 0.34 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3m5b n LEU 100 CO 0.38 0.77 -0.15 0.61 -1.33 0.00 0.00 177.39 177.66 3m5b n GLY 101 N 1.52 -0.47 3.40 -0.72 0.00 -0.88 -4.55 105.19 103.50 3m5b n GLY 101 Ca 0.20 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 3m5b n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m5b s VAL 102 N -3.07 5.26 0.21 1.61 1.01 -0.28 -4.58 120.40 120.56 3m5b s VAL 102 Ca 0.12 -2.40 -0.09 0.00 0.00 0.00 0.00 61.98 59.61 3m5b s VAL 102 Cb -0.05 -4.71 0.15 0.00 0.00 0.00 0.00 36.38 31.77 3m5b s VAL 102 CO 0.15 -1.36 1.79 -0.61 0.00 0.00 0.00 175.10 175.06 3m5b h GLN 103 N 7.76 1.14 -0.80 2.72 4.15 -1.81 -2.01 115.11 126.25 3m5b h GLN 103 Ca 0.19 -0.19 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3m5b h GLN 103 Cb 0.96 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 3m5b h GLN 103 CO 1.04 0.90 0.53 0.66 -1.93 0.00 0.00 178.83 180.03 3m5b h SER 104 N 1.11 0.88 -0.04 -0.69 4.64 -1.91 -2.39 113.55 115.15 3m5b h SER 104 Ca 0.26 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 3m5b h SER 104 Cb 0.17 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3m5b h SER 104 CO -0.03 0.62 -0.53 0.25 -0.87 0.00 0.00 176.83 176.28 3m5b h LEU 105 N 1.03 0.54 -0.63 5.97 6.46 -1.88 -2.60 115.31 124.20 3m5b h LEU 105 Ca 0.31 -0.71 0.12 0.00 -0.12 0.00 0.00 57.88 57.48 3m5b h LEU 105 Cb -0.04 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 39.64 3m5b h LEU 105 CO -0.08 1.17 0.13 -0.08 -0.62 0.00 0.00 178.44 178.96 3m5b h GLU 106 N -0.05 0.25 -0.19 1.25 4.81 -1.13 -1.68 114.58 117.84 3m5b h GLU 106 Ca -0.05 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 3m5b h GLU 106 Cb 1.21 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.54 3m5b h GLU 106 CO 0.11 0.17 -0.71 1.49 -0.73 0.00 0.00 179.01 179.33 3m5b h GLU 107 N 0.26 0.81 -0.85 1.92 4.57 -1.50 -2.48 114.58 117.31 3m5b h GLU 107 Ca 0.34 -0.61 0.09 0.00 -1.18 0.00 0.00 59.36 57.99 3m5b h GLU 107 Cb 0.51 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 3m5b h GLU 107 CO -0.43 1.23 0.50 0.00 -1.18 0.00 0.00 179.01 179.13 3m5b h ALA 108 N 0.61 1.21 -0.35 2.92 0.00 -1.29 -0.71 119.26 121.66 3m5b h ALA 108 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3m5b h ALA 108 Cb 1.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3m5b h ALA 108 CO 0.15 0.16 0.07 0.00 0.00 0.00 0.00 179.25 179.62 3m5b h TRP 110 N 0.41 0.48 -0.24 0.00 7.01 -1.21 -2.51 115.95 119.89 3m5b h TRP 110 Ca 0.11 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3m5b h TRP 110 Cb 0.34 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3m5b h TRP 110 CO 0.02 0.69 0.16 0.00 -2.79 0.00 0.00 178.44 176.52 3m5b h ARG 111 N 0.37 0.32 0.00 2.65 3.08 -1.06 -3.05 114.38 116.69 3m5b h ARG 111 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3m5b h ARG 111 Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3m5b h ARG 111 CO 0.06 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 3m5b h ALA 112 N 1.08 1.00 -0.00 0.04 0.00 -1.09 -3.52 119.26 116.78 3m5b h ALA 112 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m5b h ALA 112 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3m5b h ALA 112 CO -0.02 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.10