#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br1 n SER 4 N 0.00 0.28 -0.22 4.37 3.41 -1.26 -4.43 113.62 115.77 1br1 n SER 4 Ca 0.00 1.14 0.25 0.00 -0.26 0.00 0.00 58.87 60.00 1br1 n SER 4 Cb 0.00 -1.16 0.63 0.00 -0.26 0.00 0.00 64.21 63.41 1br1 n SER 4 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1br1 h GLU 5 N 1.56 0.18 -0.52 4.33 4.57 -2.04 0.16 114.58 122.83 1br1 h GLU 5 Ca -0.36 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1br1 h GLU 5 Cb 1.38 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.83 1br1 h GLU 5 CO 0.59 0.12 -0.13 1.49 -1.18 0.00 0.00 179.01 179.90 1br1 h GLU 6 N 0.19 0.00 0.11 1.92 4.81 -1.99 1.46 114.58 121.08 1br1 h GLU 6 Ca 0.46 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.53 1br1 h GLU 6 Cb 1.50 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.90 1br1 h GLU 6 CO -0.10 0.00 -0.72 -0.56 -0.73 0.00 0.00 179.01 176.90 1br1 h GLN 7 N 0.00 0.23 -1.00 1.92 3.07 -1.13 -3.18 115.11 115.02 1br1 h GLN 7 Ca 0.25 -0.40 0.22 0.00 0.09 0.00 0.00 58.65 58.81 1br1 h GLN 7 Cb 0.38 0.15 -0.11 0.00 0.08 0.00 0.00 27.48 27.98 1br1 h GLN 7 CO -0.54 1.19 0.62 1.15 0.09 0.00 0.00 178.83 181.34 1br1 h THR 8 N -0.49 0.62 -0.86 1.86 2.02 -0.35 1.13 112.91 116.82 1br1 h THR 8 Ca -0.13 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1br1 h THR 8 Cb 1.53 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1br1 h THR 8 CO 0.11 0.11 0.42 0.00 0.37 0.00 0.00 175.52 176.53 1br1 h ALA 9 N 1.67 1.11 0.08 6.16 0.00 0.20 -2.80 119.26 125.67 1br1 h ALA 9 Ca 0.60 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 55.08 1br1 h ALA 9 Cb 1.13 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1br1 h ALA 9 CO -0.38 0.67 -1.14 0.93 0.00 0.00 0.00 179.25 179.32 1br1 h GLU 10 N 1.22 0.50 -0.84 0.00 5.08 0.31 -3.25 114.58 117.61 1br1 h GLU 10 Ca 0.30 -0.64 0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1br1 h GLU 10 Cb 0.11 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.41 1br1 h GLU 10 CO -0.04 1.26 0.01 0.74 -1.00 0.00 0.00 179.01 179.98 1br1 h PHE 11 N 0.23 -0.05 -0.63 4.33 -1.00 0.12 1.07 116.94 121.02 1br1 h PHE 11 Ca -0.14 0.06 0.10 0.00 2.81 0.00 0.00 57.97 60.80 1br1 h PHE 11 Cb 1.81 0.16 -0.07 0.00 3.61 0.00 0.00 35.95 41.45 1br1 h PHE 11 CO 0.09 -0.30 0.24 0.87 -1.61 0.00 0.00 178.31 177.60 1br1 h LYS 12 N 0.08 0.42 -0.71 1.51 1.57 -1.55 0.34 116.57 118.22 1br1 h LYS 12 Ca 0.48 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.34 1br1 h LYS 12 Cb 0.89 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1br1 h LYS 12 CO -0.76 0.28 0.47 0.93 -0.57 0.00 0.00 179.45 179.80 1br1 h GLU 13 N 0.43 0.53 0.00 3.15 5.08 0.11 0.37 114.58 124.26 1br1 h GLU 13 Ca 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1br1 h GLU 13 Cb 0.39 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1br1 h GLU 13 CO -0.31 0.35 -0.03 0.00 -1.00 0.00 0.00 179.01 178.02 1br1 h ALA 14 N 1.65 -0.00 -0.05 3.43 0.00 0.22 -2.66 119.26 121.85 1br1 h ALA 14 Ca 0.33 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1br1 h ALA 14 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1br1 h ALA 14 CO -0.11 -0.02 -0.18 0.35 0.00 0.00 0.00 179.25 179.29 1br1 h PHE 15 N -0.89 -0.46 -0.90 0.00 3.04 0.04 -1.56 116.94 116.21 1br1 h PHE 15 Ca -0.01 0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.08 1br1 h PHE 15 Cb 0.94 0.21 -0.08 0.00 2.56 0.00 0.00 35.95 39.58 1br1 h PHE 15 CO 0.25 -0.26 0.52 1.96 -2.02 0.00 0.00 178.31 178.76 1br1 h GLN 16 N -0.27 0.80 -2.01 1.11 1.08 -0.40 -1.92 115.11 113.49 1br1 h GLN 16 Ca 0.07 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1br1 h GLN 16 Cb 0.36 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1br1 h GLN 16 CO -0.20 0.53 0.00 -0.11 -0.95 0.00 0.00 178.83 178.10 1br1 n LEU 17 N -4.73 2.92 -0.38 1.46 7.94 -0.59 -3.33 117.00 120.28 1br1 n LEU 17 Ca 0.16 -1.33 0.00 0.00 -1.11 0.00 0.00 56.01 53.74 1br1 n LEU 17 Cb 0.35 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1br1 n LEU 17 CO 0.25 0.55 0.23 0.49 -1.11 0.00 0.00 177.39 177.81 1br1 n PHE 18 N 1.75 0.00 -4.06 1.96 3.72 -0.72 -4.99 117.46 115.11 1br1 n PHE 18 Ca 0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1br1 n PHE 18 Cb 0.28 0.05 -0.16 0.00 -0.94 0.00 0.00 39.48 38.71 1br1 n PHE 18 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1br1 s ASP 19 N -0.53 3.62 0.15 4.37 -1.08 -1.21 -4.87 116.67 117.13 1br1 s ASP 19 Ca 0.00 -0.95 -0.16 0.00 -0.52 0.00 0.00 52.55 50.91 1br1 s ASP 19 Cb 0.00 -1.42 0.02 0.00 -1.46 0.00 0.00 42.92 40.06 1br1 s ASP 19 CO 0.00 -0.10 1.81 -0.09 0.52 0.00 0.00 175.17 177.30 1br1 h ARG 20 N 7.90 0.50 0.00 4.34 2.43 -1.94 -3.41 114.38 124.20 1br1 h ARG 20 Ca -0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1br1 h ARG 20 Cb 1.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1br1 h ARG 20 CO 0.53 0.33 0.00 0.25 -1.51 0.00 0.00 179.97 179.57 1br1 n THR 21 N -4.83 0.00 -0.07 0.20 -2.24 -1.26 -5.10 114.28 100.97 1br1 n THR 21 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1br1 n THR 21 Cb 0.03 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1br1 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br1 n GLY 22 N 3.86 0.07 0.47 3.38 0.00 -1.26 -5.01 105.19 106.71 1br1 n GLY 22 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.33 1br1 n GLY 22 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1br1 h ASP 23 N 0.00 0.25 -0.10 1.61 2.03 -1.99 -3.44 116.42 114.79 1br1 h ASP 23 Ca 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1br1 h ASP 23 Cb 0.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1br1 h ASP 23 CO 0.00 -0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1br1 n GLY 24 N -1.59 1.11 3.11 7.15 0.00 -1.26 -5.10 105.19 108.60 1br1 n GLY 24 Ca 0.29 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1br1 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1br1 s LYS 25 N -0.69 1.18 -0.33 1.61 3.01 -1.25 -4.49 119.74 118.78 1br1 s LYS 25 Ca 0.00 -0.51 -0.09 0.00 -1.01 0.00 0.00 55.97 54.37 1br1 s LYS 25 Cb 0.00 -1.13 0.02 0.00 -1.01 0.00 0.00 37.83 35.71 1br1 s LYS 25 CO 0.00 0.30 0.15 0.42 0.51 0.00 0.00 175.35 176.72 1br1 s ILE 26 N -0.29 4.29 0.31 2.17 1.09 -0.26 -4.74 121.20 123.78 1br1 s ILE 26 Ca 0.05 -0.77 -0.27 0.00 -1.10 0.00 0.00 60.65 58.56 1br1 s ILE 26 Cb -0.06 -3.31 -0.14 0.00 -1.06 0.00 0.00 42.46 37.89 1br1 s ILE 26 CO -0.00 -0.08 0.85 0.18 -0.10 0.00 0.00 174.94 175.79 1br1 n LEU 27 N 4.93 1.10 0.02 2.97 4.77 -1.26 -1.40 117.00 128.12 1br1 n LEU 27 Ca -0.13 1.11 0.19 0.00 -0.03 0.00 0.00 56.01 57.15 1br1 n LEU 27 Cb 0.47 -1.21 0.42 0.00 -2.33 0.00 0.00 43.42 40.77 1br1 n LEU 27 CO 0.34 -1.91 1.17 1.88 -1.33 0.00 0.00 177.39 177.54 1br1 h TYR 28 N 1.58 0.00 0.41 -1.77 -1.99 -1.19 0.26 116.97 114.27 1br1 h TYR 28 Ca -0.38 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.33 1br1 h TYR 28 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1br1 h TYR 28 CO 0.44 0.00 -0.20 0.66 -0.00 0.00 0.00 178.16 179.07 1br1 h SER 29 N 0.00 -0.46 -1.45 3.88 4.64 -1.78 -3.32 113.55 115.06 1br1 h SER 29 Ca 0.28 0.02 0.42 0.00 -0.47 0.00 0.00 61.79 62.04 1br1 h SER 29 Cb 2.19 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 64.34 1br1 h SER 29 CO -0.00 -0.13 1.04 1.56 -0.87 0.00 0.00 176.83 178.43 1br1 h GLN 30 N -0.95 0.00 -0.73 4.77 4.20 -1.25 -2.91 115.11 118.25 1br1 h GLN 30 Ca -0.06 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.77 1br1 h GLN 30 Cb 0.42 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.08 1br1 h GLN 30 CO 0.09 0.00 -0.28 0.00 -0.67 0.00 0.00 178.83 177.98 1br1 h GLY 32 N 0.00 -1.11 1.26 0.00 0.00 -1.78 -0.56 103.07 100.89 1br1 h GLY 32 Ca 0.26 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.29 1br1 h GLY 32 CO -0.72 -0.20 0.48 -0.55 0.00 0.00 0.00 176.54 175.54 1br1 h ASP 33 N -0.53 0.87 -0.26 0.19 3.32 -1.27 -0.47 116.42 118.27 1br1 h ASP 33 Ca 0.04 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1br1 h ASP 33 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1br1 h ASP 33 CO -0.44 0.64 -0.07 0.58 -1.72 0.00 0.00 179.24 178.23 1br1 h VAL 34 N 1.01 1.24 -0.26 -1.35 2.07 -0.84 0.80 116.25 118.92 1br1 h VAL 34 Ca 0.27 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1br1 h VAL 34 Cb -0.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1br1 h VAL 34 CO -0.06 0.34 -0.18 0.24 0.02 0.00 0.00 177.57 177.94 1br1 h MET 35 N 0.59 0.59 0.57 1.57 2.86 -0.41 -2.45 114.93 118.24 1br1 h MET 35 Ca 0.11 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1br1 h MET 35 Cb 0.48 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.14 1br1 h MET 35 CO 0.03 0.86 -0.27 0.00 1.06 0.00 0.00 176.91 178.58 1br1 h ARG 36 N 0.31 -0.73 -1.08 1.72 3.08 -0.49 -0.23 114.38 116.96 1br1 h ARG 36 Ca 0.05 0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.45 1br1 h ARG 36 Cb 0.71 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.86 1br1 h ARG 36 CO 0.05 -0.49 0.74 0.00 -1.07 0.00 0.00 179.97 179.20 1br1 h ALA 37 N -0.32 2.67 -0.05 0.04 0.00 0.61 2.00 119.26 124.22 1br1 h ALA 37 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1br1 h ALA 37 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1br1 h ALA 37 CO 0.13 -1.03 0.00 1.28 0.00 0.00 0.00 179.25 179.63 1br1 n LEU 38 N -4.40 1.28 -0.40 0.00 4.77 -0.84 -4.80 117.00 112.61 1br1 n LEU 38 Ca 0.24 -0.64 -0.04 0.00 -0.03 0.00 0.00 56.01 55.55 1br1 n LEU 38 Cb 1.03 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1br1 n LEU 38 CO 0.33 0.26 -0.05 0.61 -1.33 0.00 0.00 177.39 177.22 1br1 n GLY 39 N 0.11 0.26 3.68 -0.72 0.00 0.67 -5.05 105.19 104.14 1br1 n GLY 39 Ca 0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1br1 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1br1 s GLN 40 N -4.00 2.84 -0.43 1.61 2.00 -0.16 -4.96 119.66 116.56 1br1 s GLN 40 Ca 0.00 -0.56 0.05 0.00 -2.00 0.00 0.00 55.36 52.85 1br1 s GLN 40 Cb 0.00 -2.70 0.42 0.00 0.80 0.00 0.00 33.01 31.54 1br1 s GLN 40 CO 0.00 0.65 1.17 0.09 -0.50 0.00 0.00 175.29 176.69 1br1 n ASN 41 N 1.61 4.89 -4.74 6.67 3.02 -1.26 -3.45 115.26 121.99 1br1 n ASN 41 Ca -0.16 -3.73 -0.41 0.00 -0.03 0.00 0.00 54.58 50.25 1br1 n ASN 41 Cb 0.53 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1br1 n ASN 41 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1br1 s PRO 42 N -3.57 4.29 1.09 3.52 0.04 -1.26 -4.98 135.00 134.12 1br1 s PRO 42 Ca 0.49 2.25 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 1br1 s PRO 42 Cb 0.40 -3.13 0.24 0.00 0.04 0.00 0.00 34.50 32.05 1br1 s PRO 42 CO -0.15 -0.40 1.06 0.95 0.04 0.00 0.00 177.00 178.50 1br1 s THR 43 N 0.14 1.96 0.48 1.26 -4.23 -1.26 -4.85 115.64 109.14 1br1 s THR 43 Ca 0.60 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.25 1br1 s THR 43 Cb -0.41 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.34 1br1 s THR 43 CO 0.41 0.00 2.08 0.78 -0.54 0.00 0.00 174.62 177.35 1br1 h ASN 44 N -2.28 0.03 0.05 3.99 2.35 -1.99 -2.92 115.58 114.80 1br1 h ASN 44 Ca -0.57 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.04 1br1 h ASN 44 Cb 1.33 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.71 1br1 h ASN 44 CO 0.54 0.10 -0.55 0.00 -1.65 0.00 0.00 177.43 175.86 1br1 h ALA 45 N 1.91 -0.01 -0.01 -0.83 0.00 -2.00 -3.11 119.26 115.21 1br1 h ALA 45 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1br1 h ALA 45 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1br1 h ALA 45 CO 0.01 0.27 0.28 0.93 0.00 0.00 0.00 179.25 180.74 1br1 h GLU 46 N -0.38 0.00 0.13 0.00 5.08 -1.87 0.35 114.58 117.90 1br1 h GLU 46 Ca -0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 1br1 h GLU 46 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1br1 h GLU 46 CO 0.11 0.00 -1.83 0.28 -1.00 0.00 0.00 179.01 176.56 1br1 h VAL 47 N 0.00 0.76 -0.31 3.13 2.07 -1.56 -3.34 116.25 117.00 1br1 h VAL 47 Ca 0.00 -2.38 -0.16 0.00 0.82 0.00 0.00 66.70 64.99 1br1 h VAL 47 Cb 0.56 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1br1 h VAL 47 CO -0.00 0.84 -0.41 -0.03 0.02 0.00 0.00 177.57 177.99 1br1 h MET 48 N -0.02 0.83 -1.00 1.57 4.05 -1.14 -3.07 114.93 116.14 1br1 h MET 48 Ca -0.39 -0.48 0.20 0.00 -0.28 0.00 0.00 59.70 58.75 1br1 h MET 48 Cb 1.98 0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 32.71 1br1 h MET 48 CO 0.09 1.11 0.61 -0.22 0.23 0.00 0.00 176.91 178.73 1br1 h LYS 49 N 0.61 0.71 -0.93 0.39 3.64 -1.16 0.55 116.57 120.37 1br1 h LYS 49 Ca 0.04 -0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 1br1 h LYS 49 Cb 1.01 -0.16 -0.20 0.00 -0.41 0.00 0.00 32.23 32.47 1br1 h LYS 49 CO 0.10 0.47 0.42 0.28 -2.27 0.00 0.00 179.45 178.45 1br1 n VAL 50 N -4.76 2.65 -0.66 2.00 0.31 -1.17 -3.51 118.33 113.19 1br1 n VAL 50 Ca 0.24 -1.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.12 1br1 n VAL 50 Cb 0.60 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1br1 n VAL 50 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1br1 n LEU 51 N -0.55 0.43 -0.80 7.52 4.77 0.18 -4.99 117.00 123.57 1br1 n LEU 51 Ca 0.43 -0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1br1 n LEU 51 Cb 1.35 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.42 1br1 n LEU 51 CO 0.44 0.11 -0.10 0.61 -1.33 0.00 0.00 177.39 177.12 1br1 n GLY 52 N -0.04 0.75 3.65 -0.72 0.00 -0.81 -3.89 105.19 104.13 1br1 n GLY 52 Ca 0.00 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1br1 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1br1 n ASN 53 N 0.45 -5.45 -3.42 1.61 3.02 -0.68 -4.98 115.26 105.82 1br1 n ASN 53 Ca -0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1br1 n ASN 53 Cb 0.39 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 1br1 n ASN 53 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1br1 n PRO 54 N -2.70 1.28 -3.95 3.52 -0.02 -1.25 -5.08 135.00 126.81 1br1 n PRO 54 Ca -0.23 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.08 1br1 n PRO 54 Cb 0.64 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.96 1br1 n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1br1 s LYS 55 N 0.00 0.31 0.00 -0.52 -0.14 -1.26 -5.00 119.74 113.12 1br1 s LYS 55 Ca 0.00 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.66 1br1 s LYS 55 Cb 0.00 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.69 1br1 s LYS 55 CO 0.00 -0.11 0.00 -1.13 -0.76 0.00 0.00 175.35 173.35 1br1 n SER 56 N 4.01 0.00 0.02 2.83 3.41 -1.26 0.95 113.62 123.58 1br1 n SER 56 Ca -0.26 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.24 1br1 n SER 56 Cb 0.51 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1br1 n SER 56 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1br1 h ASP 57 N 0.00 -1.21 0.37 4.04 2.03 -2.00 -0.18 116.42 119.47 1br1 h ASP 57 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1br1 h ASP 57 Cb 0.00 0.46 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1br1 h ASP 57 CO 0.00 -0.37 0.00 -1.84 -1.03 0.00 0.00 179.24 176.00 1br1 n GLU 58 N -4.62 0.03 0.00 4.15 0.00 0.27 -1.53 120.64 118.93 1br1 n GLU 58 Ca -0.05 0.35 0.14 0.00 0.00 0.00 0.00 57.16 57.60 1br1 n GLU 58 Cb 0.28 -1.56 0.65 0.00 0.00 0.00 0.00 31.44 30.81 1br1 n GLU 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1br1 n MET 59 N -1.61 0.17 -0.01 3.44 2.81 -0.10 -1.47 117.12 120.36 1br1 n MET 59 Ca 0.02 -0.01 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1br1 n MET 59 Cb 0.13 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1br1 n MET 59 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1br1 n ASN 60 N -1.41 1.65 -0.06 7.83 4.05 -0.58 -2.58 115.26 124.16 1br1 n ASN 60 Ca 0.10 -1.34 -0.13 0.00 0.45 0.00 0.00 54.58 53.66 1br1 n ASN 60 Cb 0.31 -0.01 -0.04 0.00 1.23 0.00 0.00 39.78 41.26 1br1 n ASN 60 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1br1 n LEU 61 N 0.36 0.90 -4.63 1.20 4.77 -1.14 -4.98 117.00 113.49 1br1 n LEU 61 Ca 0.04 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1br1 n LEU 61 Cb 0.19 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1br1 n LEU 61 CO 0.04 0.20 0.60 0.29 -1.33 0.00 0.00 177.39 177.19 1br1 n LYS 62 N -3.57 1.15 -4.56 3.23 4.76 -0.54 -4.87 118.16 113.76 1br1 n LYS 62 Ca -0.23 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.38 1br1 n LYS 62 Cb 0.64 -2.17 -0.09 0.00 -1.84 0.00 0.00 35.03 31.57 1br1 n LYS 62 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1br1 s THR 63 N -1.42 1.05 0.01 -0.18 -4.23 -1.26 -0.99 115.64 108.62 1br1 s THR 63 Ca 0.71 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1br1 s THR 63 Cb -0.46 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1br1 s THR 63 CO 0.51 0.00 0.02 -0.76 -0.54 0.00 0.00 174.62 173.85 1br1 s LEU 64 N -3.64 2.02 -0.03 4.79 1.43 -0.49 -4.71 118.68 118.05 1br1 s LEU 64 Ca 0.25 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1br1 s LEU 64 Cb 0.05 0.24 -0.02 0.00 0.03 0.00 0.00 46.19 46.49 1br1 s LEU 64 CO 0.13 -0.27 -0.24 -0.54 0.23 0.00 0.00 176.35 175.65 1br1 s LYS 65 N -1.23 2.11 0.22 1.70 1.02 -1.26 -1.10 119.74 121.21 1br1 s LYS 65 Ca -0.13 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 54.88 1br1 s LYS 65 Cb -0.08 -1.95 0.30 0.00 -0.52 0.00 0.00 37.83 35.59 1br1 s LYS 65 CO -0.00 0.46 1.38 0.34 -0.92 0.00 0.00 175.35 176.60 1br1 n PHE 66 N 2.66 0.16 -0.27 3.18 -0.00 -1.26 0.12 117.46 122.05 1br1 n PHE 66 Ca -0.16 1.08 0.16 0.00 -0.00 0.00 0.00 57.45 58.53 1br1 n PHE 66 Cb 0.52 -0.92 0.44 0.00 -0.00 0.00 0.00 39.48 39.52 1br1 n PHE 66 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1br1 h GLU 67 N 0.00 0.53 0.00 -4.13 4.22 -1.98 1.12 114.58 114.34 1br1 h GLU 67 Ca 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.77 1br1 h GLU 67 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1br1 h GLU 67 CO -0.89 0.35 -0.79 -0.56 -2.18 0.00 0.00 179.01 174.94 1br1 h GLN 68 N 0.55 0.00 0.05 1.92 3.07 -0.74 -3.37 115.11 116.60 1br1 h GLN 68 Ca 0.48 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.09 1br1 h GLN 68 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.56 1br1 h GLN 68 CO -0.22 0.00 -0.68 0.35 0.09 0.00 0.00 178.83 178.37 1br1 h PHE 69 N 0.00 0.20 -0.76 0.06 3.57 0.19 -3.37 116.94 116.83 1br1 h PHE 69 Ca 0.00 -0.15 0.17 0.00 3.53 0.00 0.00 57.97 61.52 1br1 h PHE 69 Cb 0.87 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.47 1br1 h PHE 69 CO 0.00 1.27 -0.06 1.25 -2.23 0.00 0.00 178.31 178.53 1br1 h LEU 70 N -0.73 -0.48 -1.98 0.59 5.85 0.93 0.35 115.31 119.85 1br1 h LEU 70 Ca -0.15 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1br1 h LEU 70 Cb 1.34 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1br1 h LEU 70 CO 0.01 -0.21 0.37 1.55 -0.34 0.00 0.00 178.44 179.82 1br1 h PRO 71 N 0.06 0.00 0.07 5.25 0.13 -1.72 -1.00 132.00 134.79 1br1 h PRO 71 Ca 0.40 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.22 1br1 h PRO 71 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1br1 h PRO 71 CO -0.72 0.00 -1.72 -1.33 -0.23 0.00 0.00 178.00 174.00 1br1 n MET 72 N -3.21 0.68 -0.30 0.86 2.81 0.12 -3.28 117.12 114.79 1br1 n MET 72 Ca 0.01 0.39 0.09 0.00 -1.81 0.00 0.00 57.70 56.38 1br1 n MET 72 Cb 0.47 -1.72 0.20 0.00 -0.71 0.00 0.00 33.22 31.46 1br1 n MET 72 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1br1 h MET 73 N -0.37 0.05 0.46 0.03 4.05 -0.39 -0.91 114.93 117.85 1br1 h MET 73 Ca -0.40 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.99 1br1 h MET 73 Cb 1.74 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 1br1 h MET 73 CO -0.04 0.03 -0.22 1.96 0.23 0.00 0.00 176.91 178.87 1br1 h GLN 74 N 0.05 -0.60 -0.75 0.39 7.50 -1.67 -0.60 115.11 119.44 1br1 h GLN 74 Ca 0.49 0.04 0.26 0.00 0.50 0.00 0.00 58.65 59.94 1br1 h GLN 74 Cb 0.90 0.14 -0.14 0.00 0.05 0.00 0.00 27.48 28.43 1br1 h GLN 74 CO -0.81 -0.40 0.21 0.25 -1.50 0.00 0.00 178.83 176.58 1br1 n THR 75 N -5.05 -0.32 0.06 -0.54 -2.24 -0.78 0.11 114.28 105.53 1br1 n THR 75 Ca -0.08 1.59 -0.03 0.00 -2.27 0.00 0.00 64.05 63.26 1br1 n THR 75 Cb 0.25 -2.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.02 1br1 n THR 75 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1br1 h ILE 76 N 0.00 0.00 -0.06 2.28 2.04 -1.21 -3.31 117.51 117.26 1br1 h ILE 76 Ca 0.55 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 66.25 1br1 h ILE 76 Cb 1.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1br1 h ILE 76 CO -0.64 0.00 0.01 0.00 0.00 0.00 0.00 178.15 177.51 1br1 n ALA 77 N -2.23 0.03 -2.84 1.87 0.00 0.29 -3.18 120.51 114.47 1br1 n ALA 77 Ca -0.02 0.06 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 1br1 n ALA 77 Cb 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 1br1 n ALA 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1br1 s LYS 78 N -4.63 3.06 0.37 0.00 3.01 -0.49 -5.05 119.74 116.03 1br1 s LYS 78 Ca -0.01 -1.10 0.03 0.00 -1.01 0.00 0.00 55.97 53.89 1br1 s LYS 78 Cb 0.02 -4.13 -0.04 0.00 -1.01 0.00 0.00 37.83 32.67 1br1 s LYS 78 CO 0.04 -1.18 0.10 -0.80 0.51 0.00 0.00 175.35 174.02 1br1 s ASN 79 N 2.74 2.60 -0.00 2.83 0.01 -1.19 -4.91 114.94 117.02 1br1 s ASN 79 Ca 0.11 -1.55 -0.17 0.00 -0.71 0.00 0.00 52.86 50.54 1br1 s ASN 79 Cb -0.22 0.28 -0.34 0.00 0.41 0.00 0.00 41.25 41.38 1br1 s ASN 79 CO 0.09 -0.80 0.91 0.11 -1.51 0.00 0.00 177.10 175.90 1br1 h LYS 80 N 1.92 0.46 0.00 -0.60 6.56 -1.96 -3.49 116.57 119.46 1br1 h LYS 80 Ca -0.38 -0.78 0.00 0.00 -1.06 0.00 0.00 60.65 58.43 1br1 h LYS 80 Cb 1.26 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 33.22 1br1 h LYS 80 CO 0.62 1.38 0.00 -0.25 -2.06 0.00 0.00 179.45 179.14 1br1 n ASP 81 N -3.81 0.49 0.00 0.86 8.00 -1.26 -5.18 116.55 115.66 1br1 n ASP 81 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1br1 n ASP 81 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1br1 n ASP 81 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1br1 n GLN 82 N 0.00 0.00 -0.95 -1.24 0.00 -1.26 -5.18 117.38 108.76 1br1 n GLN 82 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.84 1br1 n GLN 82 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 30.24 30.35 1br1 n GLN 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1br1 n GLY 83 N -0.70 -1.53 3.65 1.69 0.00 -1.26 -5.09 105.19 101.96 1br1 n GLY 83 Ca 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 1br1 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n PHE 85 N 1.85 -0.03 -0.01 0.00 7.35 -1.26 0.46 117.46 125.83 1br1 n PHE 85 Ca -0.12 0.08 -0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1br1 n PHE 85 Cb 0.57 -0.26 -0.00 0.00 0.35 0.00 0.00 39.48 40.14 1br1 n PHE 85 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1br1 n GLU 86 N -2.76 -0.01 -0.12 -4.13 4.71 -1.26 0.42 120.64 117.50 1br1 n GLU 86 Ca 0.00 0.02 -0.22 0.00 -0.01 0.00 0.00 57.16 56.96 1br1 n GLU 86 Cb 0.02 -0.03 -0.10 0.00 -1.01 0.00 0.00 31.44 30.31 1br1 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1br1 n ASP 87 N -4.02 1.99 -0.17 1.62 8.00 1.13 -4.07 116.55 121.03 1br1 n ASP 87 Ca 0.00 0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.53 1br1 n ASP 87 Cb 0.00 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 1br1 n ASP 87 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1br1 n TYR 88 N -3.64 -0.18 -0.03 1.24 4.01 1.65 -0.35 117.16 119.87 1br1 n TYR 88 Ca -0.47 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1br1 n TYR 88 Cb 0.91 -0.52 0.30 0.00 -0.31 0.00 0.00 39.34 39.73 1br1 n TYR 88 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1br1 h VAL 89 N 0.00 1.19 -0.53 -0.72 -1.51 -1.23 -2.32 116.25 111.13 1br1 h VAL 89 Ca 0.06 -0.67 0.15 0.00 -1.23 0.00 0.00 66.70 65.02 1br1 h VAL 89 Cb 0.16 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 30.09 1br1 h VAL 89 CO -0.38 0.24 0.58 -0.08 -1.23 0.00 0.00 177.57 176.70 1br1 h GLU 90 N 0.58 0.00 0.16 5.19 4.81 -0.74 0.73 114.58 125.32 1br1 h GLU 90 Ca 0.13 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.06 1br1 h GLU 90 Cb 0.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1br1 h GLU 90 CO -0.00 0.00 -1.50 0.78 -0.73 0.00 0.00 179.01 177.56 1br1 h GLY 91 N 0.00 0.38 1.19 1.92 0.00 -0.82 -3.36 103.07 102.38 1br1 h GLY 91 Ca 0.25 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.50 1br1 h GLY 91 CO -0.00 0.85 -0.14 1.41 0.00 0.00 0.00 176.54 178.66 1br1 h LEU 92 N -0.11 0.94 0.00 3.11 3.38 -1.06 -2.69 115.31 118.88 1br1 h LEU 92 Ca -0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1br1 h LEU 92 Cb 1.92 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1br1 h LEU 92 CO 0.13 1.08 0.07 -1.14 0.09 0.00 0.00 178.44 178.67 1br1 n ARG 93 N -4.14 0.00 0.00 1.13 0.63 0.06 0.05 116.66 114.40 1br1 n ARG 93 Ca 0.01 0.20 0.13 0.00 -0.92 0.00 0.00 57.85 57.28 1br1 n ARG 93 Cb 0.41 -1.57 0.46 0.00 0.45 0.00 0.00 32.46 32.21 1br1 n ARG 93 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1br1 n VAL 94 N -1.15 0.00 -0.03 5.15 0.31 -1.02 -3.35 118.33 118.24 1br1 n VAL 94 Ca 0.00 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1br1 n VAL 94 Cb 0.07 -0.06 0.11 0.00 -0.91 0.00 0.00 33.84 33.04 1br1 n VAL 94 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1br1 n PHE 95 N -1.33 0.31 -2.37 3.52 3.72 0.11 -4.85 117.46 116.56 1br1 n PHE 95 Ca 0.08 -0.39 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 1br1 n PHE 95 Cb 0.32 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.83 1br1 n PHE 95 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1br1 n ASP 96 N 0.39 4.48 0.00 4.37 -0.08 -1.21 -4.74 116.55 119.76 1br1 n ASP 96 Ca 0.09 -2.87 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1br1 n ASP 96 Cb 0.36 -1.72 0.00 0.00 2.34 0.00 0.00 41.12 42.10 1br1 n ASP 96 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1br1 n LYS 97 N 8.09 0.00 -2.96 -0.67 4.81 -1.26 -2.43 118.16 123.74 1br1 n LYS 97 Ca 0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.77 1br1 n LYS 97 Cb 0.45 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 1br1 n LYS 97 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1br1 n GLU 98 N -3.37 0.77 -0.68 1.64 1.02 -1.26 -4.98 120.64 113.78 1br1 n GLU 98 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1br1 n GLU 98 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1br1 n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1br1 n GLY 99 N 1.41 0.00 0.27 0.62 0.00 -1.02 -4.68 105.19 101.80 1br1 n GLY 99 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1br1 n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1br1 h ASN 100 N 0.00 0.31 0.00 1.61 2.35 -1.94 -3.45 115.58 114.46 1br1 h ASN 100 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1br1 h ASN 100 Cb 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1br1 h ASN 100 CO 0.00 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 1br1 n GLY 101 N -1.20 0.52 3.14 2.83 0.00 -1.26 -5.07 105.19 104.15 1br1 n GLY 101 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1br1 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1br1 s THR 102 N -2.00 0.92 0.09 2.61 -4.23 -1.26 -4.14 115.64 107.63 1br1 s THR 102 Ca 0.00 -1.24 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 1br1 s THR 102 Cb 0.00 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1br1 s THR 102 CO 0.00 -0.29 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.87 1br1 s VAL 103 N -1.34 1.94 0.04 2.29 1.01 -0.22 -4.50 120.40 119.61 1br1 s VAL 103 Ca -0.04 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.09 1br1 s VAL 103 Cb -0.10 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1br1 s VAL 103 CO 0.02 0.09 1.55 -0.04 0.00 0.00 0.00 175.10 176.71 1br1 s MET 104 N -1.75 4.23 0.00 2.72 1.00 -1.26 -1.89 119.30 122.35 1br1 s MET 104 Ca 0.10 2.18 0.00 0.00 0.00 0.00 0.00 55.69 57.97 1br1 s MET 104 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 34.83 31.14 1br1 s MET 104 CO 0.04 -0.67 0.13 0.41 0.00 0.00 0.00 175.02 174.93 1br1 n GLY 105 N 3.85 0.00 0.07 -0.03 0.00 -0.29 0.21 105.19 109.01 1br1 n GLY 105 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1br1 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n ALA 106 N -0.55 1.67 0.01 4.61 0.00 -1.26 -3.33 120.51 121.66 1br1 n ALA 106 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.50 1br1 n ALA 106 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 1br1 n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1br1 h GLU 107 N 0.00 0.68 -0.39 0.00 5.08 -0.61 -1.50 114.58 117.84 1br1 h GLU 107 Ca -0.35 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 57.32 1br1 h GLU 107 Cb 1.66 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1br1 h GLU 107 CO -0.02 1.25 0.13 0.82 -1.00 0.00 0.00 179.01 180.19 1br1 h ILE 108 N 0.36 1.21 -0.02 3.13 1.08 -1.44 -1.52 117.51 120.31 1br1 h ILE 108 Ca -0.09 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1br1 h ILE 108 Cb 1.50 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1br1 h ILE 108 CO 0.17 0.24 0.02 -0.09 -0.69 0.00 0.00 178.15 177.80 1br1 h ARG 109 N 0.49 0.00 0.00 2.37 2.43 -1.53 -2.83 114.38 115.31 1br1 h ARG 109 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1br1 h ARG 109 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1br1 h ARG 109 CO -0.01 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 180.03 1br1 n HIS 110 N -3.76 0.00 -0.20 2.20 -0.00 -0.57 -3.61 115.22 109.27 1br1 n HIS 110 Ca -0.02 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.13 1br1 n HIS 110 Cb 0.11 -0.23 -0.01 0.00 -0.12 0.00 0.00 29.99 29.74 1br1 n HIS 110 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1br1 n VAL 111 N -1.19 -0.30 0.29 3.57 0.31 -0.89 0.30 118.33 120.41 1br1 n VAL 111 Ca 0.00 1.21 0.17 0.00 -0.01 0.00 0.00 64.34 65.72 1br1 n VAL 111 Cb 0.00 -1.56 0.86 0.00 -0.91 0.00 0.00 33.84 32.23 1br1 n VAL 111 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1br1 h LEU 112 N 0.00 0.00 -3.81 7.52 -0.00 -1.66 -0.83 115.31 116.52 1br1 h LEU 112 Ca 0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.60 1br1 h LEU 112 Cb 0.26 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 40.57 1br1 h LEU 112 CO -0.50 0.00 -0.81 0.52 -0.00 0.00 0.00 178.44 177.65 1br1 n VAL 113 N -3.11 2.25 -1.85 1.22 0.31 0.87 -2.50 118.33 115.51 1br1 n VAL 113 Ca -0.00 -3.81 0.00 0.00 -0.01 0.00 0.00 64.34 60.52 1br1 n VAL 113 Cb 0.37 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1br1 n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1br1 n THR 114 N -0.73 0.00 -4.05 2.52 -2.24 -0.37 -4.79 114.28 104.62 1br1 n THR 114 Ca 0.34 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1br1 n THR 114 Cb 0.91 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.26 1br1 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1br1 s LEU 115 N 0.00 2.28 0.00 3.22 1.02 -0.91 -5.01 118.68 119.29 1br1 s LEU 115 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.56 1br1 s LEU 115 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.13 1br1 s LEU 115 CO 0.00 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.71 1br1 n GLY 116 N 1.32 1.40 3.38 -3.19 0.00 -1.26 -3.07 105.19 103.76 1br1 n GLY 116 Ca -0.22 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1br1 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1br1 n GLU 117 N 12.23 0.21 -1.64 1.61 -0.58 -1.26 -4.86 120.64 126.35 1br1 n GLU 117 Ca 0.00 -1.04 -0.63 0.00 -0.42 0.00 0.00 57.16 55.06 1br1 n GLU 117 Cb 0.00 -2.48 -0.09 0.00 -0.57 0.00 0.00 31.44 28.30 1br1 n GLU 117 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1br1 n LYS 118 N 7.45 0.06 -0.44 3.49 5.02 -1.18 -4.97 118.16 127.60 1br1 n LYS 118 Ca 0.41 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1br1 n LYS 118 Cb 0.36 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1br1 n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1br1 n MET 119 N 2.91 0.39 -4.21 1.97 2.81 -1.04 -5.02 117.12 114.94 1br1 n MET 119 Ca 0.26 -0.04 -0.23 0.00 -1.81 0.00 0.00 57.70 55.88 1br1 n MET 119 Cb 0.01 -0.01 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 1br1 n MET 119 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1br1 s THR 120 N -0.23 3.70 0.26 2.03 -4.23 -1.26 -4.77 115.64 111.14 1br1 s THR 120 Ca 0.01 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1br1 s THR 120 Cb -0.00 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 71.04 1br1 s THR 120 CO 0.01 -0.34 1.79 1.05 -0.54 0.00 0.00 174.62 176.59 1br1 h GLU 121 N 1.71 0.73 -0.07 3.99 9.09 -1.96 -1.76 114.58 126.30 1br1 h GLU 121 Ca -0.45 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 58.87 1br1 h GLU 121 Cb 1.25 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 28.18 1br1 h GLU 121 CO 0.61 0.49 -0.12 0.93 0.05 0.00 0.00 179.01 180.96 1br1 h GLU 122 N 0.76 0.22 -0.41 1.06 4.39 -1.99 -2.18 114.58 116.42 1br1 h GLU 122 Ca 0.44 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 60.06 1br1 h GLU 122 Cb 0.51 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1br1 h GLU 122 CO -0.30 0.70 -0.45 0.93 -1.16 0.00 0.00 179.01 178.74 1br1 h GLU 123 N -0.25 -0.25 -0.79 2.33 5.08 -1.74 0.41 114.58 119.37 1br1 h GLU 123 Ca 0.01 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1br1 h GLU 123 Cb 0.69 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1br1 h GLU 123 CO 0.03 -0.17 0.50 -0.39 -1.00 0.00 0.00 179.01 177.98 1br1 h VAL 124 N -0.26 1.09 -0.09 3.13 -1.51 -1.44 -2.18 116.25 114.99 1br1 h VAL 124 Ca 0.07 -0.33 0.02 0.00 -1.23 0.00 0.00 66.70 65.24 1br1 h VAL 124 Cb 0.45 0.06 -0.06 0.00 -2.13 0.00 0.00 31.29 29.61 1br1 h VAL 124 CO -0.52 0.17 -0.49 -0.08 -1.23 0.00 0.00 177.57 175.42 1br1 h GLU 125 N 0.95 -0.52 -0.61 5.19 4.57 -0.38 -0.21 114.58 123.57 1br1 h GLU 125 Ca 0.33 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.72 1br1 h GLU 125 Cb 0.06 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1br1 h GLU 125 CO -0.13 -0.35 0.48 1.96 -1.18 0.00 0.00 179.01 179.79 1br1 h GLN 126 N -0.54 0.00 0.00 1.92 4.20 -0.67 -0.38 115.11 119.65 1br1 h GLN 126 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1br1 h GLN 126 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1br1 h GLN 126 CO -0.38 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 177.67 1br1 n LEU 127 N -4.17 0.38 -0.21 1.46 7.94 -0.17 -4.37 117.00 117.86 1br1 n LEU 127 Ca 0.12 0.53 -0.04 0.00 -1.11 0.00 0.00 56.01 55.51 1br1 n LEU 127 Cb 0.72 -0.42 0.14 0.00 0.53 0.00 0.00 43.42 44.38 1br1 n LEU 127 CO 0.35 -0.42 1.02 -0.37 -1.11 0.00 0.00 177.39 176.87 1br1 h VAL 128 N 0.00 1.24 -0.23 1.96 -1.51 -1.39 -3.45 116.25 112.87 1br1 h VAL 128 Ca 0.00 -0.80 -0.46 0.00 -1.23 0.00 0.00 66.70 64.21 1br1 h VAL 128 Cb 0.00 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1br1 h VAL 128 CO 0.00 0.32 0.61 0.00 -1.23 0.00 0.00 177.57 177.26 1br1 n ALA 129 N -2.45 -0.23 -0.12 5.19 0.00 -0.15 -0.59 120.51 122.15 1br1 n ALA 129 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1br1 n ALA 129 Cb 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1br1 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 130 N 3.46 0.94 0.00 0.00 0.00 -1.26 -4.92 105.19 103.41 1br1 n GLY 130 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1br1 n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1br1 n HIS 131 N -2.12 0.00 -3.08 1.61 -0.00 0.24 -5.00 115.22 106.86 1br1 n HIS 131 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 1br1 n HIS 131 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1br1 n HIS 131 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1br1 s GLU 132 N -0.18 4.43 0.00 -0.41 2.02 -1.26 -3.91 118.70 119.39 1br1 s GLU 132 Ca 0.00 0.97 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1br1 s GLU 132 Cb 0.00 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1br1 s GLU 132 CO 0.00 0.48 0.00 -0.40 0.02 0.00 0.00 175.26 175.36 1br1 n ASP 133 N 2.11 0.00 -0.34 -0.19 5.68 -0.08 -4.68 116.55 119.05 1br1 n ASP 133 Ca -0.06 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.20 1br1 n ASP 133 Cb 0.50 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.57 1br1 n ASP 133 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1br1 h SER 134 N 0.00 1.06 -0.42 -1.12 4.64 -1.98 -0.47 113.55 115.26 1br1 h SER 134 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1br1 h SER 134 Cb 0.00 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.77 1br1 h SER 134 CO 0.00 0.77 0.12 0.59 -0.87 0.00 0.00 176.83 177.44 1br1 n ASN 135 N -4.44 3.76 -3.13 4.97 5.03 -1.26 -4.87 115.26 115.31 1br1 n ASN 135 Ca 0.10 -2.69 -0.23 0.00 0.87 0.00 0.00 54.58 52.64 1br1 n ASN 135 Cb 0.01 -0.64 0.02 0.00 -1.02 0.00 0.00 39.78 38.16 1br1 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1br1 n GLY 136 N 0.12 -0.51 3.59 7.41 0.00 -0.19 -4.89 105.19 110.72 1br1 n GLY 136 Ca 0.23 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1br1 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 s ILE 138 N 0.48 4.22 -0.44 0.00 1.01 -0.79 -0.90 121.20 124.77 1br1 s ILE 138 Ca 0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1br1 s ILE 138 Cb -0.13 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.52 1br1 s ILE 138 CO 0.01 0.36 0.32 0.21 0.00 0.00 0.00 174.94 175.84 1br1 s ASN 139 N -1.63 5.86 0.08 3.58 3.04 -1.26 -1.06 114.94 123.56 1br1 s ASN 139 Ca 0.20 -1.44 -0.29 0.00 0.04 0.00 0.00 52.86 51.37 1br1 s ASN 139 Cb -0.12 -2.07 -0.12 0.00 -1.54 0.00 0.00 41.25 37.40 1br1 s ASN 139 CO 0.11 -0.59 1.46 0.10 -3.04 0.00 0.00 177.10 175.14 1br1 h TYR 140 N 8.56 -1.27 -0.32 0.43 -0.00 -1.93 -1.19 116.97 121.25 1br1 h TYR 140 Ca -0.25 0.03 0.07 0.00 0.00 0.00 0.00 58.73 58.58 1br1 h TYR 140 Cb 1.09 0.53 -0.06 0.00 0.00 0.00 0.00 36.73 38.30 1br1 h TYR 140 CO 0.63 -0.50 -0.05 0.39 -0.00 0.00 0.00 178.16 178.62 1br1 n GLU 141 N -4.96 -0.03 0.11 0.10 -0.58 -1.26 0.13 120.64 114.15 1br1 n GLU 141 Ca -0.07 0.50 -0.05 0.00 -0.42 0.00 0.00 57.16 57.11 1br1 n GLU 141 Cb 0.35 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 1br1 n GLU 141 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1br1 h GLU 142 N 0.00 -0.34 -1.06 3.49 4.39 -1.66 -2.82 114.58 116.58 1br1 h GLU 142 Ca 0.17 0.02 0.35 0.00 0.34 0.00 0.00 59.36 60.24 1br1 h GLU 142 Cb 0.30 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 28.89 1br1 h GLU 142 CO -0.32 -0.23 0.62 1.25 -1.16 0.00 0.00 179.01 179.17 1br1 h LEU 143 N -1.02 0.44 0.27 1.33 5.85 0.15 0.43 115.31 122.75 1br1 h LEU 143 Ca -0.04 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1br1 h LEU 143 Cb 0.27 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1br1 h LEU 143 CO 0.06 -0.17 -0.27 0.58 -0.34 0.00 0.00 178.44 178.30 1br1 h VAL 144 N 0.25 0.00 -0.98 1.05 2.07 0.10 -2.57 116.25 116.16 1br1 h VAL 144 Ca 0.75 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.45 1br1 h VAL 144 Cb 1.88 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1br1 h VAL 144 CO -0.58 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.66 1br1 h ARG 145 N -0.54 0.71 0.27 1.57 3.08 -0.08 -0.46 114.38 118.93 1br1 h ARG 145 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1br1 h ARG 145 Cb 0.47 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1br1 h ARG 145 CO -0.04 0.47 -0.47 1.98 -1.07 0.00 0.00 179.97 180.84 1br1 h MET 146 N 0.74 -0.76 -0.50 0.04 4.05 -0.16 0.35 114.93 118.67 1br1 h MET 146 Ca 0.54 0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.96 1br1 h MET 146 Cb 0.88 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1br1 h MET 146 CO -0.32 -0.51 0.11 -0.39 0.23 0.00 0.00 176.91 176.03 1br1 h VAL 147 N -0.79 1.22 0.00 -5.77 -1.51 -1.18 -1.21 116.25 107.01 1br1 h VAL 147 Ca -0.03 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1br1 h VAL 147 Cb 0.74 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1br1 h VAL 147 CO -0.17 0.30 0.00 0.18 -1.23 0.00 0.00 177.57 176.65 1br1 n LEU 148 N -4.28 0.00 0.30 4.19 4.32 -0.21 -3.70 117.00 117.62 1br1 n LEU 148 Ca 0.03 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.09 1br1 n LEU 148 Cb 0.23 0.00 0.27 0.00 -1.62 0.00 0.00 43.42 42.29 1br1 n LEU 148 CO 0.40 0.00 1.05 0.28 -1.22 0.00 0.00 177.39 177.90 1br1 h SER 149 N 0.00 0.00 0.00 -1.43 0.02 -0.49 -3.50 113.55 108.15 1br1 h SER 149 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1br1 h SER 149 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1br1 h SER 149 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30