#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 3.13 -0.06 0.52 1.01 -1.21 -4.91 121.20 119.67 3m5b s ILE 6 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.53 3m5b s ILE 6 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3m5b s ILE 6 CO 0.00 0.08 -0.17 -0.60 0.00 0.00 0.00 174.94 174.26 3m5b s ARG 7 N 0.75 2.01 -0.32 2.79 3.52 -1.26 -0.55 118.95 125.89 3m5b s ARG 7 Ca 0.63 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 3m5b s ARG 7 Cb -0.38 -1.65 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 3m5b s ARG 7 CO 0.33 0.15 0.17 -0.51 -0.81 0.00 0.00 175.30 174.63 3m5b s LEU 8 N 0.34 4.24 0.28 -0.88 1.43 0.03 -4.93 118.68 119.17 3m5b s LEU 8 Ca -0.11 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 3m5b s LEU 8 Cb -0.14 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 3m5b s LEU 8 CO 0.04 -0.23 1.32 -2.16 0.23 0.00 0.00 176.35 175.55 3m5b s PRO 9 N 1.61 4.37 -0.09 1.29 0.04 -1.26 -1.76 135.00 139.20 3m5b s PRO 9 Ca 0.04 2.16 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 3m5b s PRO 9 Cb -0.17 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 3m5b s PRO 9 CO 0.07 -0.22 0.23 0.45 0.04 0.00 0.00 177.00 177.57 3m5b s SER 10 N -0.13 6.50 0.00 6.66 0.15 -1.26 -4.96 113.70 120.65 3m5b s SER 10 Ca 0.53 0.59 0.17 0.00 0.70 0.00 0.00 55.95 57.94 3m5b s SER 10 Cb -0.39 -2.13 0.72 0.00 -1.71 0.00 0.00 66.02 62.51 3m5b s SER 10 CO 0.46 0.35 1.50 -0.81 1.20 0.00 0.00 173.24 175.94 3m5b n PRO 11 N 2.15 1.51 0.00 5.44 -0.04 -1.26 -4.28 135.00 138.52 3m5b n PRO 11 Ca -0.17 -0.77 0.11 0.00 -0.04 0.00 0.00 63.50 62.62 3m5b n PRO 11 Cb 0.54 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.02 0.00 0.95 0.54 4.01 -1.26 -4.50 117.16 116.92 3m5b n TYR 12 Ca 0.14 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.97 3m5b n TYR 12 Cb 0.23 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.76 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 1.38 -0.85 0.31 2.72 0.00 -1.26 -2.41 105.19 105.09 3m5b n GLY 13 Ca 0.09 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.23 1.49 -4.65 1.61 7.64 -1.26 -4.86 113.62 112.36 3m5b n SER 14 Ca 0.10 -1.25 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 3m5b n SER 14 Cb 0.13 0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.85 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 -1.94 6.86 0.20 6.43 -1.08 -1.01 -4.95 116.67 121.17 3m5b s ASP 15 Ca 0.12 1.61 -0.19 0.00 -0.52 0.00 0.00 52.55 53.57 3m5b s ASP 15 Cb 0.13 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 39.21 3m5b s ASP 15 CO 0.42 -0.85 1.59 -0.09 0.52 0.00 0.00 175.17 176.76 3m5b h ARG 16 N 8.57 -0.12 0.00 4.34 2.43 -1.93 -1.63 114.38 126.04 3m5b h ARG 16 Ca -0.27 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3m5b h ARG 16 Cb 1.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3m5b h ARG 16 CO 0.98 -0.08 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.86 3m5b h LEU 17 N -0.12 0.00 -0.18 3.80 3.38 -1.96 -2.66 115.31 117.57 3m5b h LEU 17 Ca 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3m5b h LEU 17 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3m5b h LEU 17 CO -0.71 0.26 -0.12 0.58 0.09 0.00 0.00 178.44 178.54 3m5b h VAL 18 N 0.00 1.32 -0.38 1.22 2.07 -1.79 -0.79 116.25 117.90 3m5b h VAL 18 Ca -0.02 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.35 3m5b h VAL 18 Cb 1.21 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 3m5b h VAL 18 CO 0.03 0.36 0.03 1.56 0.02 0.00 0.00 177.57 179.58 3m5b h GLN 19 N 0.06 0.14 -0.06 1.57 4.20 -1.33 -0.12 115.11 119.57 3m5b h GLN 19 Ca 0.03 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3m5b h GLN 19 Cb 0.62 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3m5b h GLN 19 CO 0.03 0.09 -0.14 1.25 -0.67 0.00 0.00 178.83 179.40 3m5b h LEU 20 N 0.15 -0.42 -1.28 1.46 6.46 -1.48 -1.87 115.31 118.32 3m5b h LEU 20 Ca 0.19 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 3m5b h LEU 20 Cb 0.24 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 3m5b h LEU 20 CO -0.28 -0.19 0.51 0.00 -0.62 0.00 0.00 178.44 177.86 3m5b h ALA 21 N 0.80 1.59 -0.67 1.25 0.00 -0.78 -0.49 119.26 120.95 3m5b h ALA 21 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3m5b h ALA 21 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3m5b h ALA 21 CO -0.18 0.32 0.10 0.00 0.00 0.00 0.00 179.25 179.48 3m5b h ALA 22 N 1.56 0.90 -0.36 0.00 0.00 -0.72 -2.02 119.26 118.62 3m5b h ALA 22 Ca 0.32 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3m5b h ALA 22 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3m5b h ALA 22 CO -0.10 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.53 3m5b h ARG 23 N 1.04 0.77 -0.24 0.00 3.08 -0.61 -3.28 114.38 115.14 3m5b h ARG 23 Ca 0.20 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3m5b h ARG 23 Cb 0.46 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3m5b h ARG 23 CO 0.02 0.96 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.61 3m5b h LEU 24 N 0.65 0.58 -9.22 3.04 3.38 -1.03 -3.48 115.31 109.23 3m5b h LEU 24 Ca 0.08 -0.45 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 3m5b h LEU 24 Cb 0.82 -0.16 0.06 0.00 0.09 0.00 0.00 40.66 41.47 3m5b h LEU 24 CO 0.07 0.91 0.30 -1.14 0.09 0.00 0.00 178.44 178.67 3m5b n ARG 25 N -4.41 0.89 -0.07 1.13 0.63 -0.77 -1.56 116.66 112.50 3m5b n ARG 25 Ca -0.04 0.32 0.09 0.00 -0.92 0.00 0.00 57.85 57.29 3m5b n ARG 25 Cb 0.40 -1.87 0.36 0.00 0.45 0.00 0.00 32.46 31.79 3m5b n ARG 25 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3m5b n PRO 26 N 2.07 1.48 -1.76 -0.14 -0.04 -1.26 -5.06 135.00 130.30 3m5b n PRO 26 Ca 0.18 -0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 62.49 3m5b n PRO 26 Cb 0.19 -1.31 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3m5b n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m5b n ALA 27 N -0.02 2.29 -1.11 0.55 0.00 -0.60 -2.81 120.51 118.81 3m5b n ALA 27 Ca 0.14 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 3m5b n ALA 27 Cb 0.23 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 3m5b n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m5b n LEU 28 N 0.72 0.47 -4.66 0.00 4.77 -1.26 -4.84 117.00 112.20 3m5b n LEU 28 Ca 0.03 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3m5b n LEU 28 Cb 0.38 -2.42 -0.03 0.00 -2.33 0.00 0.00 43.42 39.02 3m5b n LEU 28 CO 0.64 -0.95 1.29 0.00 -1.33 0.00 0.00 177.39 177.04 3m5b n ASP 30 N 7.06 2.82 -4.25 0.00 5.75 -1.00 -4.87 116.55 122.05 3m5b n ASP 30 Ca 0.16 -1.85 -0.23 0.00 -0.01 0.00 0.00 54.79 52.87 3m5b n ASP 30 Cb 0.43 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.49 1.56 -0.21 2.12 2.01 -0.92 -1.49 115.64 117.22 3m5b s THR 31 Ca 0.26 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 3m5b s THR 31 Cb 0.17 -1.42 0.08 0.00 0.01 0.00 0.00 72.50 71.34 3m5b s THR 31 CO 0.25 -0.04 0.12 -0.22 -0.69 0.00 0.00 174.62 174.04 3m5b s LEU 32 N -1.71 0.31 -0.10 4.42 2.96 -0.66 -1.62 118.68 122.28 3m5b s LEU 32 Ca 0.05 -0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 3m5b s LEU 32 Cb -0.10 -0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.39 3m5b s LEU 32 CO 0.03 -0.37 0.36 -0.63 -1.32 0.00 0.00 176.35 174.43 3m5b s ILE 33 N 2.16 5.21 -0.06 6.68 -1.09 -0.70 -1.93 121.20 131.47 3m5b s ILE 33 Ca 0.05 0.71 0.03 0.00 -2.23 0.00 0.00 60.65 59.21 3m5b s ILE 33 Cb -0.16 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 3m5b s ILE 33 CO -0.17 0.45 -0.15 0.42 -1.23 0.00 0.00 174.94 174.26 3m5b s THR 34 N -0.07 3.02 -0.25 2.92 -4.23 -0.64 -0.26 115.64 116.13 3m5b s THR 34 Ca 0.21 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3m5b s THR 34 Cb -0.15 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.58 3m5b s THR 34 CO 0.08 0.58 0.01 -0.69 -0.54 0.00 0.00 174.62 174.07 3m5b s VAL 35 N -0.57 1.22 0.00 2.29 1.01 -0.50 -0.64 120.40 123.20 3m5b s VAL 35 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3m5b s VAL 35 Cb -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3m5b s VAL 35 CO 0.01 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3m5b n GLY 36 N 4.76 3.42 0.47 4.51 0.00 -1.26 -1.84 105.19 115.25 3m5b n GLY 36 Ca -0.07 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3m5b n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m5b n SER 37 N 4.28 1.59 -4.75 1.61 3.41 -1.26 -4.92 113.62 113.58 3m5b n SER 37 Ca 0.00 -1.36 -0.40 0.00 -0.26 0.00 0.00 58.87 56.85 3m5b n SER 37 Cb 0.00 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3m5b n SER 37 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3m5b s GLN 38 N -2.21 4.78 -0.00 4.33 -1.52 -0.77 -5.06 119.66 119.21 3m5b s GLN 38 Ca 0.30 1.43 0.04 0.00 -1.95 0.00 0.00 55.36 55.18 3m5b s GLN 38 Cb 0.20 -3.30 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 3m5b s GLN 38 CO 0.41 0.47 -0.10 -1.21 -0.25 0.00 0.00 175.29 174.62 3m5b s GLU 39 N -0.95 2.48 -0.33 2.91 2.02 -1.26 -1.41 118.70 122.16 3m5b s GLU 39 Ca 0.41 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 3m5b s GLU 39 Cb -0.25 -2.44 0.11 0.00 0.10 0.00 0.00 34.13 31.65 3m5b s GLU 39 CO 0.31 0.60 0.13 -0.06 0.02 0.00 0.00 175.26 176.26 3m5b s PHE 40 N -0.93 1.34 0.39 1.61 0.40 0.64 -4.99 117.98 116.44 3m5b s PHE 40 Ca 0.16 -1.63 -0.27 0.00 -0.60 0.00 0.00 56.93 54.58 3m5b s PHE 40 Cb -0.11 -1.48 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 3m5b s PHE 40 CO 0.06 -0.85 1.39 -2.14 0.70 0.00 0.00 175.22 174.38 3m5b s PRO 41 N 1.49 4.05 0.17 0.24 0.02 -1.26 -1.72 135.00 137.99 3m5b s PRO 41 Ca 0.12 2.36 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 3m5b s PRO 41 Cb -0.19 -2.88 0.02 0.00 0.02 0.00 0.00 34.50 31.48 3m5b s PRO 41 CO -0.22 -0.50 0.45 0.00 -0.33 0.00 0.00 177.00 176.40 3m5b s ALA 42 N -1.18 -0.80 -0.27 -1.55 0.00 -0.64 -4.95 121.76 112.38 3m5b s ALA 42 Ca 0.54 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 3m5b s ALA 42 Cb -0.42 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3m5b s ALA 42 CO 0.56 -0.73 0.16 -1.01 0.00 0.00 0.00 175.76 174.74 3m5b s HIS 43 N -3.86 3.22 0.40 0.00 3.76 -1.26 -2.17 115.29 115.37 3m5b s HIS 43 Ca 0.08 0.05 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 3m5b s HIS 43 Cb 0.01 -2.33 0.81 0.00 1.11 0.00 0.00 32.58 32.18 3m5b s HIS 43 CO -0.05 -0.15 2.03 0.66 -0.85 0.00 0.00 174.74 176.38 3m5b h SER 44 N 8.16 0.47 -0.53 1.40 4.64 -1.91 -2.44 113.55 123.34 3m5b h SER 44 Ca -0.36 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3m5b h SER 44 Cb 1.18 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3m5b h SER 44 CO 0.58 0.38 0.32 0.25 -0.87 0.00 0.00 176.83 177.48 3m5b h LEU 45 N 0.54 0.64 0.28 5.97 5.85 -1.97 -0.11 115.31 126.51 3m5b h LEU 45 Ca 0.14 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3m5b h LEU 45 Cb 0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3m5b h LEU 45 CO -0.02 0.52 -0.14 0.58 -0.34 0.00 0.00 178.44 179.03 3m5b h VAL 46 N 0.72 0.71 -0.80 1.05 2.07 -1.88 -2.35 116.25 115.77 3m5b h VAL 46 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 3m5b h VAL 46 Cb -0.01 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 3m5b h VAL 46 CO -0.04 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.92 3m5b h LEU 47 N -0.38 0.60 -1.51 2.57 3.38 -1.26 -2.08 115.31 116.62 3m5b h LEU 47 Ca -0.04 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3m5b h LEU 47 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3m5b h LEU 47 CO 0.06 0.33 -0.25 0.00 0.09 0.00 0.00 178.44 178.67 3m5b h ALA 48 N 1.47 1.59 0.00 1.53 0.00 -0.89 -1.66 119.26 121.29 3m5b h ALA 48 Ca 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3m5b h ALA 48 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m5b h ALA 48 CO -0.27 0.31 0.00 0.78 0.00 0.00 0.00 179.25 180.07 3m5b h GLY 49 N 0.74 0.00 0.00 0.00 0.00 -0.82 -3.27 103.07 99.72 3m5b h GLY 49 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m5b h GLY 49 CO 0.03 0.00 -1.17 3.33 0.00 0.00 0.00 176.54 178.74 3m5b n VAL 50 N -2.56 0.01 -3.52 4.60 0.24 -0.84 -5.07 118.33 111.19 3m5b n VAL 50 Ca -0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3m5b n VAL 50 Cb 0.15 0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 3m5b n VAL 50 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3m5b s SER 51 N -2.43 -0.81 0.32 -1.34 0.15 -0.69 -4.27 113.70 104.62 3m5b s SER 51 Ca -0.01 1.12 0.09 0.00 0.70 0.00 0.00 55.95 57.85 3m5b s SER 51 Cb 0.02 1.89 0.93 0.00 -1.71 0.00 0.00 66.02 67.15 3m5b s SER 51 CO 0.15 -0.16 1.64 -0.61 1.20 0.00 0.00 173.24 175.46 3m5b h GLN 52 N 7.62 0.23 -0.56 5.44 5.75 -1.84 -0.99 115.11 130.77 3m5b h GLN 52 Ca -0.17 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3m5b h GLN 52 Cb 1.12 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.59 3m5b h GLN 52 CO 0.10 0.15 0.35 1.96 -2.65 0.00 0.00 178.83 178.73 3m5b h GLN 53 N 0.23 0.75 0.00 1.69 7.50 -1.94 -3.11 115.11 120.23 3m5b h GLN 53 Ca 0.66 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.72 3m5b h GLN 53 Cb 1.45 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 3m5b h GLN 53 CO -0.66 0.53 -0.64 -0.07 -1.50 0.00 0.00 178.83 176.49 3m5b h LEU 54 N 0.75 0.00 -6.70 1.46 3.38 -1.66 -3.42 115.31 109.12 3m5b h LEU 54 Ca 0.20 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.54 3m5b h LEU 54 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3m5b h LEU 54 CO -0.04 0.12 2.40 0.61 0.09 0.00 0.00 178.44 181.62 3m5b n GLY 55 N 1.18 2.98 2.96 0.83 0.00 -0.43 -4.70 105.19 108.01 3m5b n GLY 55 Ca 0.01 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3m5b n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m5b s ARG 56 N 4.50 0.12 0.85 1.61 3.52 -1.26 -4.90 118.95 123.38 3m5b s ARG 56 Ca 0.55 0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 56.65 3m5b s ARG 56 Cb 0.11 -0.13 0.10 0.00 -1.56 0.00 0.00 34.95 33.47 3m5b s ARG 56 CO 0.05 -0.25 1.09 1.03 -0.81 0.00 0.00 175.30 176.40 3m5b s ARG 57 N 2.02 1.68 1.11 5.12 0.52 -1.26 -4.83 118.95 123.31 3m5b s ARG 57 Ca -0.01 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 3m5b s ARG 57 Cb -0.12 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3m5b s ARG 57 CO -0.07 -1.94 0.00 0.41 0.02 0.00 0.00 175.30 173.71 3m5b n GLY 58 N -1.51 -1.91 3.69 -3.53 0.00 -0.56 -4.90 105.19 96.48 3m5b n GLY 58 Ca 0.07 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 4.12 0.02 1.61 0.74 -1.26 -1.65 119.66 123.23 3m5b s GLN 59 Ca 0.00 -0.25 -0.22 0.00 0.05 0.00 0.00 55.36 54.93 3m5b s GLN 59 Cb 0.00 -3.44 0.05 0.00 1.10 0.00 0.00 33.01 30.72 3m5b s GLN 59 CO 0.00 0.21 0.50 1.67 -0.55 0.00 0.00 175.29 177.12 3m5b s TRP 60 N 0.62 -0.41 0.02 1.67 1.48 -0.81 -4.99 118.94 116.52 3m5b s TRP 60 Ca 0.07 0.54 -0.18 0.00 -1.06 0.00 0.00 56.10 55.47 3m5b s TRP 60 Cb -0.12 0.30 -0.06 0.00 -1.16 0.00 0.00 33.47 32.43 3m5b s TRP 60 CO 0.01 -0.59 0.52 0.00 -4.06 0.00 0.00 176.95 172.83 3m5b s ALA 61 N -2.01 3.59 -0.06 2.67 0.00 -1.26 -1.62 121.76 123.05 3m5b s ALA 61 Ca -0.08 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 3m5b s ALA 61 Cb -0.01 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3m5b s ALA 61 CO 0.02 0.34 0.40 -1.17 0.00 0.00 0.00 175.76 175.34 3m5b s LEU 62 N -0.77 4.38 0.00 0.00 2.96 0.18 -4.91 118.68 120.52 3m5b s LEU 62 Ca 0.28 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3m5b s LEU 62 Cb -0.18 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3m5b s LEU 62 CO 0.16 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 3m5b n GLY 63 N 2.48 1.37 2.50 7.98 0.00 -1.26 -4.68 105.19 113.58 3m5b n GLY 63 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -1.50 -2.60 1.61 1.02 -1.26 -2.37 120.64 115.55 3m5b n GLU 64 Ca 0.00 1.12 -0.20 0.00 -0.02 0.00 0.00 57.16 58.06 3m5b n GLU 64 Cb 0.00 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 25.83 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 -0.71 -0.51 3.70 0.62 0.00 -1.26 -5.02 105.19 102.02 3m5b n GLY 65 Ca -0.22 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.00 5.33 0.61 -0.61 1.01 -1.00 -5.08 121.20 118.45 3m5b s ILE 66 Ca 0.09 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 3m5b s ILE 66 Cb -0.04 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3m5b s ILE 66 CO 0.11 0.36 1.06 -0.94 0.00 0.00 0.00 174.94 175.54 3m5b s SER 67 N 0.73 5.67 0.31 3.58 1.04 -1.26 -4.90 113.70 118.87 3m5b s SER 67 Ca 0.12 1.83 0.05 0.00 0.48 0.00 0.00 55.95 58.43 3m5b s SER 67 Cb -0.13 -2.53 0.69 0.00 0.10 0.00 0.00 66.02 64.14 3m5b s SER 67 CO 0.03 -1.24 1.81 -0.65 0.98 0.00 0.00 173.24 174.18 3m5b h PRO 68 N 0.32 0.82 -0.29 4.02 0.11 -1.99 -0.88 132.00 134.11 3m5b h PRO 68 Ca -0.47 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 3m5b h PRO 68 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3m5b h PRO 68 CO 0.57 0.54 -0.54 0.66 -0.21 0.00 0.00 178.00 179.02 3m5b h SER 69 N 0.84 0.98 -0.38 -2.05 4.64 -1.98 -1.39 113.55 114.21 3m5b h SER 69 Ca 0.53 -0.53 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3m5b h SER 69 Cb 0.72 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 3m5b h SER 69 CO -0.31 1.33 0.17 0.74 -0.87 0.00 0.00 176.83 177.89 3m5b h THR 70 N 0.67 0.94 -0.60 2.95 2.02 -1.91 -2.77 112.91 114.21 3m5b h THR 70 Ca 0.01 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3m5b h THR 70 Cb 1.15 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3m5b h THR 70 CO 0.12 0.06 0.01 0.15 0.37 0.00 0.00 175.52 176.24 3m5b h PHE 71 N 0.35 1.11 -0.96 3.16 3.57 -1.03 -2.39 116.94 120.76 3m5b h PHE 71 Ca 0.17 -0.18 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3m5b h PHE 71 Cb 0.10 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.47 3m5b h PHE 71 CO -0.12 0.98 0.59 0.00 -2.23 0.00 0.00 178.31 177.53 3m5b h ALA 72 N 1.06 1.40 -0.21 2.41 0.00 -1.21 0.30 119.26 123.00 3m5b h ALA 72 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m5b h ALA 72 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3m5b h ALA 72 CO 0.03 0.23 0.07 1.96 0.00 0.00 0.00 179.25 181.54 3m5b h GLN 73 N 0.97 0.33 -0.43 0.00 4.20 -1.22 -2.14 115.11 116.83 3m5b h GLN 73 Ca 0.46 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 59.13 3m5b h GLN 73 Cb 0.40 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3m5b h GLN 73 CO -0.24 0.43 0.21 1.25 -0.67 0.00 0.00 178.83 179.80 3m5b h LEU 74 N 0.18 0.31 -0.44 1.46 6.46 -0.90 -2.21 115.31 120.16 3m5b h LEU 74 Ca 0.07 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3m5b h LEU 74 Cb 0.23 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 3m5b h LEU 74 CO -0.00 0.22 0.10 0.25 -0.62 0.00 0.00 178.44 178.39 3m5b h LEU 75 N 0.43 0.67 -0.56 2.25 5.85 -0.93 -2.31 115.31 120.70 3m5b h LEU 75 Ca 0.18 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.77 3m5b h LEU 75 Cb 0.09 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3m5b h LEU 75 CO -0.13 0.74 0.10 0.78 -0.34 0.00 0.00 178.44 179.59 3m5b h ASN 76 N 0.58 -0.04 -0.49 1.25 2.35 -1.27 -1.88 115.58 116.07 3m5b h ASN 76 Ca 0.14 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3m5b h ASN 76 Cb 0.33 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3m5b h ASN 76 CO 0.00 -0.00 0.32 0.15 -1.65 0.00 0.00 177.43 176.25 3m5b h PHE 77 N 0.23 0.61 -0.43 1.19 3.04 -1.12 -1.33 116.94 119.12 3m5b h PHE 77 Ca 0.29 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 3m5b h PHE 77 Cb 0.43 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 3m5b h PHE 77 CO -0.26 0.38 0.26 0.28 -2.02 0.00 0.00 178.31 176.95 3m5b h VAL 78 N 0.66 1.12 -0.22 1.41 2.07 -1.23 -1.63 116.25 118.42 3m5b h VAL 78 Ca 0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3m5b h VAL 78 Cb -0.06 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3m5b h VAL 78 CO -0.05 0.13 0.00 -1.22 0.02 0.00 0.00 177.57 176.45 3m5b n TYR 79 N -4.45 0.30 -0.08 1.57 4.02 -0.72 -4.92 117.16 112.88 3m5b n TYR 79 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3m5b n TYR 79 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 3m5b n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m5b n GLY 80 N 0.94 0.56 3.77 2.72 0.00 -0.61 -4.77 105.19 107.80 3m5b n GLY 80 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.92 4.51 0.59 1.61 2.02 -0.54 -4.12 118.70 121.85 3m5b s GLU 81 Ca 0.00 1.08 -0.18 0.00 0.02 0.00 0.00 54.97 55.89 3m5b s GLU 81 Cb 0.00 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3m5b s GLU 81 CO 0.00 0.47 1.18 -1.54 0.02 0.00 0.00 175.26 175.39 3m5b s SER 82 N -0.72 5.24 -0.19 -0.19 1.04 -1.26 -3.90 113.70 113.71 3m5b s SER 82 Ca 0.36 2.32 0.01 0.00 0.48 0.00 0.00 55.95 59.12 3m5b s SER 82 Cb -0.22 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.34 3m5b s SER 82 CO 0.24 -1.56 -0.18 -0.69 0.98 0.00 0.00 173.24 172.03 3m5b s VAL 83 N -1.70 2.10 -0.12 5.02 1.01 -0.72 -4.92 120.40 121.07 3m5b s VAL 83 Ca 0.76 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3m5b s VAL 83 Cb -0.28 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3m5b s VAL 83 CO 0.33 0.46 0.59 -0.70 0.00 0.00 0.00 175.10 175.77 3m5b s GLU 84 N 1.27 4.34 0.15 2.72 2.12 -1.26 -0.79 118.70 127.24 3m5b s GLU 84 Ca 0.03 0.63 0.02 0.00 0.36 0.00 0.00 54.97 56.01 3m5b s GLU 84 Cb -0.14 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 3m5b s GLU 84 CO -0.12 0.02 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.09 3m5b s LEU 85 N 1.01 2.24 -0.01 2.70 1.43 0.29 -5.01 118.68 121.34 3m5b s LEU 85 Ca 0.30 -1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3m5b s LEU 85 Cb -0.16 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 3m5b s LEU 85 CO 0.13 -0.52 0.21 -1.10 0.23 0.00 0.00 176.35 175.30 3m5b s GLN 86 N -3.88 3.49 0.46 1.70 -1.52 -1.26 -3.34 119.66 115.31 3m5b s GLN 86 Ca 0.20 -0.22 0.32 0.00 -1.95 0.00 0.00 55.36 53.71 3m5b s GLN 86 Cb 0.06 -3.09 1.44 0.00 -0.22 0.00 0.00 33.01 31.20 3m5b s GLN 86 CO 0.02 0.67 1.66 -1.35 -0.25 0.00 0.00 175.29 176.03 3m5b h PRO 87 N 3.91 0.10 0.00 2.91 0.11 -2.02 0.99 132.00 138.01 3m5b h PRO 87 Ca -0.49 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3m5b h PRO 87 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3m5b h PRO 87 CO 0.68 0.07 -0.37 0.78 -0.21 0.00 0.00 178.00 178.94 3m5b h GLY 88 N 0.11 0.00 1.67 -0.55 0.00 -2.06 -3.24 103.07 99.00 3m5b h GLY 88 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 3m5b h GLY 88 CO -0.29 0.00 -0.17 1.18 0.00 0.00 0.00 176.54 177.26 3m5b n GLU 89 N -3.76 0.04 0.03 4.80 1.02 0.34 -4.37 120.64 118.74 3m5b n GLU 89 Ca -0.01 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 3m5b n GLU 89 Cb 0.45 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 3m5b n GLU 89 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3m5b h LEU 90 N 0.00 -0.11 -0.54 -4.62 3.38 -1.57 -3.10 115.31 108.75 3m5b h LEU 90 Ca 0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3m5b h LEU 90 Cb 0.53 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3m5b h LEU 90 CO 0.00 0.38 0.31 -0.09 0.09 0.00 0.00 178.44 179.14 3m5b h ARG 91 N -0.64 0.74 -0.69 1.13 2.43 -1.80 -1.06 114.38 114.48 3m5b h ARG 91 Ca -0.01 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3m5b h ARG 91 Cb 0.51 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3m5b h ARG 91 CO 0.02 0.55 0.40 -1.35 -1.51 0.00 0.00 179.97 178.08 3m5b h PRO 92 N 0.72 0.74 -0.62 0.20 0.11 -1.81 -2.26 132.00 129.08 3m5b h PRO 92 Ca 0.19 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3m5b h PRO 92 Cb 0.01 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 3m5b h PRO 92 CO -0.03 0.49 0.25 1.25 -0.21 0.00 0.00 178.00 179.74 3m5b h LEU 93 N 0.76 0.86 -0.59 2.35 6.46 -1.34 -1.26 115.31 122.54 3m5b h LEU 93 Ca 0.30 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3m5b h LEU 93 Cb 0.14 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 3m5b h LEU 93 CO -0.16 0.80 0.33 -0.61 -0.62 0.00 0.00 178.44 178.18 3m5b h GLN 94 N 0.87 0.82 -0.58 1.25 4.15 -1.02 -0.29 115.11 120.32 3m5b h GLN 94 Ca 0.21 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3m5b h GLN 94 Cb 0.21 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3m5b h GLN 94 CO -0.02 0.62 0.13 0.93 -1.93 0.00 0.00 178.83 178.57 3m5b h GLU 95 N 0.80 0.93 -0.14 1.69 5.08 -1.21 -0.29 114.58 121.44 3m5b h GLU 95 Ca 0.21 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3m5b h GLU 95 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m5b h GLU 95 CO -0.03 0.87 0.01 0.00 -1.00 0.00 0.00 179.01 178.86 3m5b h ALA 96 N 1.02 0.19 -0.56 3.43 0.00 -1.02 -0.74 119.26 121.58 3m5b h ALA 96 Ca 0.18 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3m5b h ALA 96 Cb 0.37 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3m5b h ALA 96 CO 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.15 3m5b h ALA 97 N 0.77 0.56 -0.39 0.00 0.00 -0.96 -1.46 119.26 117.80 3m5b h ALA 97 Ca 0.04 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3m5b h ALA 97 Cb 0.34 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m5b h ALA 97 CO 0.01 -0.37 0.04 -0.09 0.00 0.00 0.00 179.25 178.84 3m5b h ARG 98 N 0.15 0.65 -0.94 0.00 9.65 -0.89 -0.08 114.38 122.92 3m5b h ARG 98 Ca 0.29 -0.19 0.06 0.00 -1.10 0.00 0.00 59.98 59.04 3m5b h ARG 98 Cb 0.44 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 3m5b h ARG 98 CO -0.45 0.72 0.61 0.00 2.80 0.00 0.00 179.97 183.66 3m5b h ALA 99 N 0.91 1.46 -0.02 2.80 0.00 -0.71 -2.88 119.26 120.82 3m5b h ALA 99 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m5b h ALA 99 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m5b h ALA 99 CO 0.01 0.40 -0.17 1.28 0.00 0.00 0.00 179.25 180.78 3m5b n LEU 100 N -4.49 1.84 0.00 0.00 4.77 -0.59 -4.98 117.00 113.55 3m5b n LEU 100 Ca 0.14 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3m5b n LEU 100 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3m5b n LEU 100 CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3m5b n GLY 101 N 1.31 0.43 3.45 -0.72 0.00 -0.40 -4.54 105.19 104.73 3m5b n GLY 101 Ca 0.14 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 4.94 0.26 1.61 1.01 -0.18 -4.56 120.40 121.47 3m5b s VAL 102 Ca 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 61.98 59.80 3m5b s VAL 102 Cb 0.00 -4.82 0.25 0.00 0.00 0.00 0.00 36.38 31.81 3m5b s VAL 102 CO 0.00 -1.53 1.92 -0.61 0.00 0.00 0.00 175.10 174.88 3m5b h GLN 103 N 8.00 1.26 -0.58 2.72 4.15 -1.83 -2.23 115.11 126.59 3m5b h GLN 103 Ca 0.22 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3m5b h GLN 103 Cb 0.96 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3m5b h GLN 103 CO 1.15 0.85 0.12 0.66 -1.93 0.00 0.00 178.83 179.68 3m5b h SER 104 N 1.29 0.85 -0.02 -0.69 4.64 -1.94 -1.45 113.55 116.23 3m5b h SER 104 Ca 0.34 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 3m5b h SER 104 Cb -0.11 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3m5b h SER 104 CO -0.07 0.85 -0.53 0.25 -0.87 0.00 0.00 176.83 176.46 3m5b h LEU 105 N 0.87 0.50 -0.25 5.97 6.46 -1.91 -1.70 115.31 125.25 3m5b h LEU 105 Ca 0.18 -0.73 0.06 0.00 -0.12 0.00 0.00 57.88 57.27 3m5b h LEU 105 Cb 0.34 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 3m5b h LEU 105 CO 0.00 1.17 -0.13 -0.08 -0.62 0.00 0.00 178.44 178.79 3m5b h GLU 106 N -0.11 -0.09 -0.31 1.25 4.81 -1.30 -1.51 114.58 117.31 3m5b h GLU 106 Ca -0.06 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3m5b h GLU 106 Cb 1.23 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 3m5b h GLU 106 CO 0.11 -0.06 -0.14 0.93 -0.73 0.00 0.00 179.01 179.11 3m5b h GLU 107 N -0.09 -0.09 -0.57 1.92 5.08 -1.27 -1.39 114.58 118.17 3m5b h GLU 107 Ca 0.13 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3m5b h GLU 107 Cb 0.30 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3m5b h GLU 107 CO -0.31 -0.06 0.25 0.00 -1.00 0.00 0.00 179.01 177.88 3m5b h ALA 108 N 1.16 0.73 0.17 3.43 0.00 -1.07 -0.68 119.26 123.00 3m5b h ALA 108 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3m5b h ALA 108 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3m5b h ALA 108 CO -0.38 -0.14 -0.08 0.00 0.00 0.00 0.00 179.25 178.65 3m5b h TRP 110 N -0.26 -0.05 0.00 0.00 7.01 -1.01 -1.32 115.95 120.32 3m5b h TRP 110 Ca -0.02 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 3m5b h TRP 110 Cb 0.20 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3m5b h TRP 110 CO -0.06 -0.11 -0.02 0.00 -2.79 0.00 0.00 178.44 175.46 3m5b h ARG 111 N 0.10 0.00 0.00 2.65 3.08 -1.06 -2.28 114.38 116.87 3m5b h ARG 111 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3m5b h ARG 111 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3m5b h ARG 111 CO -0.40 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.52 3m5b n ALA 112 N -2.49 2.23 1.47 0.04 0.00 -0.53 -5.10 120.51 116.14 3m5b n ALA 112 Ca -0.03 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3m5b n ALA 112 Cb 0.11 -1.46 0.70 0.00 0.00 0.00 0.00 19.45 18.79 3m5b n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04