#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br0 h ARG 28 N 0.00 0.54 0.24 -0.67 3.08 -2.06 -2.66 114.38 112.86 1br0 h ARG 28 Ca 0.00 -0.21 -0.34 0.00 0.07 0.00 0.00 59.98 59.51 1br0 h ARG 28 Cb 0.00 -0.03 0.03 0.00 0.08 0.00 0.00 29.97 30.05 1br0 h ARG 28 CO 0.00 0.74 -1.52 0.74 -1.07 0.00 0.00 179.97 178.86 1br0 h PHE 29 N 0.31 0.94 -0.45 3.04 0.04 -2.06 -2.85 116.94 115.90 1br0 h PHE 29 Ca 0.07 -0.68 -0.12 0.00 2.80 0.00 0.00 57.97 60.04 1br0 h PHE 29 Cb 0.54 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1br0 h PHE 29 CO 0.05 1.57 -0.21 0.52 -0.60 0.00 0.00 178.31 179.65 1br0 h MET 30 N 0.14 0.91 -0.61 1.51 2.86 -2.00 -2.51 114.93 115.24 1br0 h MET 30 Ca -0.27 -0.37 0.04 0.00 -2.06 0.00 0.00 59.70 57.04 1br0 h MET 30 Cb 2.16 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.74 1br0 h MET 30 CO 0.26 1.03 0.35 0.22 1.06 0.00 0.00 176.91 179.83 1br0 h ASP 31 N 0.79 0.55 -0.41 1.22 3.58 -1.58 -1.51 116.42 119.05 1br0 h ASP 31 Ca 0.11 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1br0 h ASP 31 Cb 0.76 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1br0 h ASP 31 CO 0.06 0.37 0.19 -0.33 -2.88 0.00 0.00 179.24 176.65 1br0 h GLU 32 N 0.68 0.66 -0.75 0.28 5.08 -1.54 -2.87 114.58 116.12 1br0 h GLU 32 Ca 0.26 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1br0 h GLU 32 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1br0 h GLU 32 CO -0.14 0.54 0.24 0.35 -1.00 0.00 0.00 179.01 179.00 1br0 h PHE 33 N 0.65 1.19 -0.51 4.33 3.57 -1.08 -2.74 116.94 122.35 1br0 h PHE 33 Ca 0.16 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1br0 h PHE 33 Cb 0.13 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1br0 h PHE 33 CO 0.01 0.93 0.10 0.74 -2.23 0.00 0.00 178.31 177.86 1br0 h PHE 34 N 1.11 0.88 -0.38 0.41 0.04 -1.17 -3.24 116.94 114.58 1br0 h PHE 34 Ca 0.24 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 1br0 h PHE 34 Cb 0.29 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1br0 h PHE 34 CO 0.02 0.79 -0.10 0.93 -0.60 0.00 0.00 178.31 179.35 1br0 h GLU 35 N 0.71 0.74 -0.15 1.51 5.08 -1.57 -3.35 114.58 117.56 1br0 h GLU 35 Ca 0.16 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1br0 h GLU 35 Cb 0.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1br0 h GLU 35 CO 0.01 0.89 -0.52 -0.56 -1.00 0.00 0.00 179.01 177.83 1br0 h GLN 36 N 0.54 0.43 -0.74 2.33 3.07 -1.61 -3.37 115.11 115.76 1br0 h GLN 36 Ca 0.10 -0.26 0.16 0.00 0.09 0.00 0.00 58.65 58.74 1br0 h GLN 36 Cb 0.62 0.02 -0.11 0.00 0.08 0.00 0.00 27.48 28.09 1br0 h GLN 36 CO 0.04 0.84 0.19 0.28 0.09 0.00 0.00 178.83 180.27 1br0 h VAL 37 N 0.33 0.51 -0.12 1.86 2.07 -1.69 -0.78 116.25 118.43 1br0 h VAL 37 Ca 0.01 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1br0 h VAL 37 Cb 1.03 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1br0 h VAL 37 CO 0.09 0.05 0.15 -0.08 0.02 0.00 0.00 177.57 177.81 1br0 h GLU 38 N 0.28 0.00 -0.03 1.57 4.22 -1.78 0.00 114.58 118.83 1br0 h GLU 38 Ca 0.42 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.71 1br0 h GLU 38 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1br0 h GLU 38 CO -0.51 0.00 -0.58 0.93 -2.18 0.00 0.00 179.01 176.67 1br0 h GLU 39 N 0.00 0.45 0.70 1.92 4.39 -1.37 -3.01 114.58 117.65 1br0 h GLU 39 Ca 0.06 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1br0 h GLU 39 Cb 0.37 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1br0 h GLU 39 CO -0.00 1.09 -0.47 0.82 -1.16 0.00 0.00 179.01 179.29 1br0 h ILE 40 N -0.02 0.06 -1.31 3.13 2.04 -1.18 -2.75 117.51 117.48 1br0 h ILE 40 Ca -0.06 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.19 1br0 h ILE 40 Cb 1.27 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 1br0 h ILE 40 CO 0.12 0.00 0.88 0.03 0.00 0.00 0.00 178.15 179.17 1br0 h ARG 41 N -1.11 0.13 0.03 2.37 3.08 -1.16 0.35 114.38 118.07 1br0 h ARG 41 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1br0 h ARG 41 Cb 0.91 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1br0 h ARG 41 CO 0.07 0.09 -0.02 0.78 -1.07 0.00 0.00 179.97 179.81 1br0 h GLY 42 N 0.14 -0.05 1.63 0.04 0.00 -1.35 -0.67 103.07 102.81 1br0 h GLY 42 Ca 0.74 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 48.03 1br0 h GLY 42 CO -0.28 -0.02 -0.10 0.74 0.00 0.00 0.00 176.54 176.88 1br0 h PHE 43 N -0.05 0.48 0.36 5.60 0.04 -0.90 -2.46 116.94 120.00 1br0 h PHE 43 Ca -0.00 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1br0 h PHE 43 Cb 0.05 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1br0 h PHE 43 CO -0.08 0.54 -0.17 0.82 -0.60 0.00 0.00 178.31 178.81 1br0 h ILE 44 N 0.42 0.64 -0.83 -0.55 1.08 -0.94 -2.77 117.51 114.57 1br0 h ILE 44 Ca 0.08 -0.41 0.07 0.00 -0.39 0.00 0.00 64.86 64.21 1br0 h ILE 44 Cb 0.43 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 1br0 h ILE 44 CO 0.02 0.08 0.54 0.44 -0.69 0.00 0.00 178.15 178.54 1br0 h ASP 45 N -0.73 0.77 -0.23 1.72 5.19 -1.19 -2.72 116.42 119.24 1br0 h ASP 45 Ca -0.05 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1br0 h ASP 45 Cb 0.50 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1br0 h ASP 45 CO 0.08 0.49 -0.03 0.50 -3.12 0.00 0.00 179.24 177.15 1br0 h LYS 46 N 0.87 0.56 0.54 3.56 3.11 -1.48 -1.05 116.57 122.69 1br0 h LYS 46 Ca 0.36 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 58.04 1br0 h LYS 46 Cb 0.29 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1br0 h LYS 46 CO -0.14 0.61 -0.26 0.82 -2.81 0.00 0.00 179.45 177.68 1br0 h ILE 47 N 0.53 0.00 -0.01 2.00 1.08 -1.24 -1.27 117.51 118.60 1br0 h ILE 47 Ca 0.11 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1br0 h ILE 47 Cb 0.39 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1br0 h ILE 47 CO 0.02 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 177.48 1br0 h ALA 48 N -1.29 1.41 -0.00 1.87 0.00 -1.56 0.11 119.26 119.80 1br0 h ALA 48 Ca -0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1br0 h ALA 48 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1br0 h ALA 48 CO 0.12 -0.01 -0.25 0.93 0.00 0.00 0.00 179.25 180.04 1br0 h GLU 49 N 0.00 0.17 -0.39 0.00 5.08 -1.26 -2.82 114.58 115.35 1br0 h GLU 49 Ca 0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1br0 h GLU 49 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1br0 h GLU 49 CO -0.00 0.92 -0.09 -0.97 -1.00 0.00 0.00 179.01 177.87 1br0 h ASN 50 N -0.50 0.76 -0.22 1.42 -1.24 -0.88 -2.91 115.58 112.01 1br0 h ASN 50 Ca -0.03 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.61 1br0 h ASN 50 Cb 1.01 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 1br0 h ASN 50 CO 0.05 0.94 0.08 0.58 -1.29 0.00 0.00 177.43 177.79 1br0 h VAL 51 N 0.56 1.17 -0.64 2.57 2.07 -0.94 -0.55 116.25 120.49 1br0 h VAL 51 Ca 0.10 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1br0 h VAL 51 Cb 0.60 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1br0 h VAL 51 CO 0.04 0.17 0.42 1.05 0.02 0.00 0.00 177.57 179.27 1br0 h GLU 52 N 0.20 0.56 -0.07 1.57 4.11 -1.59 -2.18 114.58 117.16 1br0 h GLU 52 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.36 1br0 h GLU 52 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1br0 h GLU 52 CO -0.01 0.37 -0.46 1.49 0.07 0.00 0.00 179.01 180.47 1br0 h GLU 53 N 0.57 0.18 0.06 1.06 4.81 -1.23 -3.26 114.58 116.78 1br0 h GLU 53 Ca 0.28 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1br0 h GLU 53 Cb 0.37 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1br0 h GLU 53 CO -0.09 0.61 -0.21 0.28 -0.73 0.00 0.00 179.01 178.87 1br0 h VAL 54 N 0.15 0.51 0.00 0.32 2.07 -0.47 -2.80 116.25 116.04 1br0 h VAL 54 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1br0 h VAL 54 Cb 0.88 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1br0 h VAL 54 CO 0.07 0.00 -0.03 0.07 0.02 0.00 0.00 177.57 177.70 1br0 h LYS 55 N -0.37 0.00 0.06 1.57 2.10 -1.56 0.99 116.57 119.36 1br0 h LYS 55 Ca 0.04 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.43 1br0 h LYS 55 Cb 0.42 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1br0 h LYS 55 CO -0.15 0.03 -1.09 0.07 -2.00 0.00 0.00 179.45 176.31 1br0 h ARG 56 N 0.00 0.48 0.37 0.07 0.11 -1.58 -3.22 114.38 110.61 1br0 h ARG 56 Ca -0.00 -0.59 -0.02 0.00 0.10 0.00 0.00 59.98 59.47 1br0 h ARG 56 Cb 0.12 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1br0 h ARG 56 CO 0.00 1.23 -0.18 0.87 0.10 0.00 0.00 179.97 181.99 1br0 h LYS 57 N 0.24 -0.48 -0.20 0.08 1.57 -1.15 -3.10 116.57 113.53 1br0 h LYS 57 Ca -0.13 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1br0 h LYS 57 Cb 1.75 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.16 1br0 h LYS 57 CO 0.20 -0.16 0.56 0.45 -0.57 0.00 0.00 179.45 179.92 1br0 h HIS 58 N -0.91 0.00 0.02 -1.35 3.86 -1.01 -0.23 115.15 115.54 1br0 h HIS 58 Ca -0.05 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.95 1br0 h HIS 58 Cb 0.54 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1br0 h HIS 58 CO 0.03 0.00 -1.12 0.77 0.86 0.00 0.00 177.93 178.47 1br0 h SER 59 N 0.00 0.06 0.61 2.45 0.02 -1.65 -3.25 113.55 111.78 1br0 h SER 59 Ca 0.09 -0.64 -0.07 0.00 -0.84 0.00 0.00 61.79 60.33 1br0 h SER 59 Cb 1.21 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1br0 h SER 59 CO -0.00 1.45 -0.34 0.00 -1.14 0.00 0.00 176.83 176.80 1br0 h ALA 60 N -0.35 1.16 0.05 3.77 0.00 -1.42 -2.67 119.26 119.80 1br0 h ALA 60 Ca -0.30 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.02 1br0 h ALA 60 Cb 1.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1br0 h ALA 60 CO -0.14 0.43 -1.52 0.82 0.00 0.00 0.00 179.25 178.83 1br0 h ILE 61 N 0.00 1.11 0.00 0.00 2.04 -1.27 -0.15 117.51 119.24 1br0 h ILE 61 Ca -0.00 -2.86 -0.00 0.00 1.00 0.00 0.00 64.86 63.00 1br0 h ILE 61 Cb 0.74 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1br0 h ILE 61 CO 0.04 0.73 -0.00 0.25 0.00 0.00 0.00 178.15 179.17 1br0 h LEU 62 N 0.03 0.00 0.03 1.44 5.85 -1.60 -2.78 115.31 118.28 1br0 h LEU 62 Ca -0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1br0 h LEU 62 Cb 1.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1br0 h LEU 62 CO 0.12 0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.21 1br0 h ALA 63 N 2.00 -0.03 -2.19 1.25 0.00 -1.46 -3.40 119.26 115.43 1br0 h ALA 63 Ca -0.00 -0.36 -0.72 0.00 0.00 0.00 0.00 54.91 53.83 1br0 h ALA 63 Cb 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.61 1br0 h ALA 63 CO 0.00 -0.12 0.52 -1.12 0.00 0.00 0.00 179.25 178.53 1br0 s SER 64 N -5.91 6.61 0.11 0.00 0.01 -0.07 -4.91 113.70 109.53 1br0 s SER 64 Ca -0.16 -2.14 0.22 0.00 1.31 0.00 0.00 55.95 55.18 1br0 s SER 64 Cb -0.01 -2.33 0.88 0.00 0.21 0.00 0.00 66.02 64.77 1br0 s SER 64 CO 0.62 -0.93 1.68 -2.65 0.41 0.00 0.00 173.24 172.36 1br0 n PRO 65 N 5.77 0.10 -3.89 12.44 -0.02 -1.06 -3.84 135.00 144.50 1br0 n PRO 65 Ca 0.16 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 1br0 n PRO 65 Cb 0.48 -1.66 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 1br0 n PRO 65 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1br0 s ASN 66 N -3.62 4.80 0.09 2.55 2.20 -1.26 -5.11 114.94 114.59 1br0 s ASN 66 Ca 0.08 -3.87 0.00 0.00 -0.94 0.00 0.00 52.86 48.13 1br0 s ASN 66 Cb 0.12 -1.62 0.00 0.00 -2.00 0.00 0.00 41.25 37.74 1br0 s ASN 66 CO 0.41 -0.08 0.00 -0.81 -2.94 0.00 0.00 177.10 173.67 1br0 n PRO 67 N 1.96 1.86 -1.91 3.55 -0.04 -1.25 -5.12 135.00 134.03 1br0 n PRO 67 Ca 0.20 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1br0 n PRO 67 Cb 0.35 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1br0 n PRO 67 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1br0 s ASP 68 N -1.00 6.17 0.60 3.54 1.01 -1.26 -5.00 116.67 120.73 1br0 s ASP 68 Ca 0.00 1.47 0.29 0.00 0.71 0.00 0.00 52.55 55.02 1br0 s ASP 68 Cb 0.00 -2.48 1.50 0.00 1.01 0.00 0.00 42.92 42.95 1br0 s ASP 68 CO 0.00 -0.91 1.90 -0.33 0.21 0.00 0.00 175.17 176.04 1br0 h GLU 69 N -0.17 0.00 -0.72 8.23 3.07 -2.03 -2.39 114.58 120.56 1br0 h GLU 69 Ca -0.44 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.52 1br0 h GLU 69 Cb 1.19 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 1br0 h GLU 69 CO 0.61 0.00 0.47 -0.22 -1.40 0.00 0.00 179.01 178.48 1br0 h LYS 70 N 0.00 0.56 0.15 2.33 3.64 -2.01 -3.30 116.57 117.94 1br0 h LYS 70 Ca 0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1br0 h LYS 70 Cb 1.06 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1br0 h LYS 70 CO -0.00 0.37 -0.07 1.79 -2.27 0.00 0.00 179.45 179.27 1br0 h THR 71 N 0.58 0.00 0.07 1.00 1.35 -1.82 -3.36 112.91 110.72 1br0 h THR 71 Ca 0.33 -0.57 -0.27 0.00 -0.55 0.00 0.00 66.41 65.36 1br0 h THR 71 Cb 0.52 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 66.96 1br0 h THR 71 CO -0.12 0.00 -1.12 0.11 -0.25 0.00 0.00 175.52 174.14 1br0 h LYS 72 N -0.76 0.50 -1.01 4.72 1.57 -1.74 -3.18 116.57 116.67 1br0 h LYS 72 Ca -0.02 -0.63 0.25 0.00 -1.87 0.00 0.00 60.65 58.37 1br0 h LYS 72 Cb 0.15 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 1br0 h LYS 72 CO 0.03 1.26 0.64 0.93 -0.57 0.00 0.00 179.45 181.74 1br0 h GLU 73 N 0.24 0.46 0.00 3.15 4.39 -1.80 -1.65 114.58 119.37 1br0 h GLU 73 Ca -0.14 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.38 1br0 h GLU 73 Cb 1.79 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 1br0 h GLU 73 CO 0.20 0.30 -0.72 0.93 -1.16 0.00 0.00 179.01 178.56 1br0 h GLU 74 N 0.47 0.00 -0.69 2.33 5.08 -1.71 -3.37 114.58 116.69 1br0 h GLU 74 Ca 0.58 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1br0 h GLU 74 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1br0 h GLU 74 CO -0.31 0.72 0.25 -0.07 -1.00 0.00 0.00 179.01 178.60 1br0 h LEU 75 N 0.00 0.97 -1.46 1.33 3.38 -1.27 -0.62 115.31 117.64 1br0 h LEU 75 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1br0 h LEU 75 Cb 1.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1br0 h LEU 75 CO 0.09 0.90 -0.11 -0.33 0.09 0.00 0.00 178.44 179.08 1br0 h GLU 76 N 0.99 0.00 0.18 1.13 3.07 -1.76 -2.35 114.58 115.84 1br0 h GLU 76 Ca 0.23 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1br0 h GLU 76 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1br0 h GLU 76 CO -0.01 0.11 -0.09 1.49 -1.40 0.00 0.00 179.01 179.11 1br0 h GLU 77 N 0.00 -0.24 0.00 2.33 4.57 -1.58 -2.91 114.58 116.75 1br0 h GLU 77 Ca -0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1br0 h GLU 77 Cb 0.56 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1br0 h GLU 77 CO 0.01 0.02 -0.12 1.37 -1.18 0.00 0.00 179.01 179.12 1br0 h LEU 78 N -1.01 0.00 0.18 1.64 8.10 -1.22 -0.64 115.31 122.35 1br0 h LEU 78 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1br0 h LEU 78 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1br0 h LEU 78 CO 0.04 0.12 -0.08 0.24 -4.11 0.00 0.00 178.44 174.65 1br0 h MET 79 N 0.00 -0.23 -0.59 0.17 2.86 -1.60 -2.92 114.93 112.63 1br0 h MET 79 Ca -0.00 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1br0 h MET 79 Cb 0.21 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1br0 h MET 79 CO 0.02 0.16 0.42 0.66 1.06 0.00 0.00 176.91 179.22 1br0 h SER 80 N -0.93 0.01 -0.41 1.22 4.64 -1.52 -2.34 113.55 114.21 1br0 h SER 80 Ca -0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 1br0 h SER 80 Cb 0.49 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1br0 h SER 80 CO 0.04 0.00 -0.32 -0.78 -0.87 0.00 0.00 176.83 174.90 1br0 h ASP 81 N 0.01 1.01 -0.20 4.97 1.82 -1.21 -2.27 116.42 120.54 1br0 h ASP 81 Ca 0.28 -0.43 -0.17 0.00 -0.39 0.00 0.00 57.03 56.32 1br0 h ASP 81 Cb 1.11 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1br0 h ASP 81 CO -0.00 1.23 -0.54 0.40 -1.61 0.00 0.00 179.24 178.71 1br0 h ILE 82 N 0.80 1.30 -0.51 2.25 2.04 -1.24 -0.39 117.51 121.76 1br0 h ILE 82 Ca 0.08 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.19 1br0 h ILE 82 Cb 0.91 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1br0 h ILE 82 CO 0.08 0.56 0.32 0.11 0.00 0.00 0.00 178.15 179.22 1br0 h LYS 83 N 0.44 0.63 -0.17 2.37 6.56 -1.53 0.08 116.57 124.96 1br0 h LYS 83 Ca -0.01 -0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.43 1br0 h LYS 83 Cb 1.16 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1br0 h LYS 83 CO 0.12 0.42 -0.34 0.87 -2.06 0.00 0.00 179.45 178.46 1br0 h LYS 84 N 0.65 0.54 0.21 3.15 1.57 -1.45 -2.75 116.57 118.50 1br0 h LYS 84 Ca 0.20 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1br0 h LYS 84 Cb -0.03 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1br0 h LYS 84 CO -0.07 0.95 -0.10 1.15 -0.57 0.00 0.00 179.45 180.81 1br0 h THR 85 N 0.18 0.76 -0.98 -0.16 2.02 -1.15 -2.64 112.91 110.94 1br0 h THR 85 Ca 0.01 -0.96 0.22 0.00 0.77 0.00 0.00 66.41 66.46 1br0 h THR 85 Cb 0.94 1.23 -0.12 0.00 -1.74 0.00 0.00 68.15 68.46 1br0 h THR 85 CO 0.08 0.18 0.56 0.00 0.37 0.00 0.00 175.52 176.71 1br0 h ALA 86 N -0.32 1.69 -0.21 6.16 0.00 -1.10 0.07 119.26 125.54 1br0 h ALA 86 Ca -0.03 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1br0 h ALA 86 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1br0 h ALA 86 CO 0.05 -0.22 -0.39 -0.97 0.00 0.00 0.00 179.25 177.72 1br0 h ASN 87 N 0.60 0.71 -0.76 0.00 -0.73 -1.62 0.11 115.58 113.89 1br0 h ASN 87 Ca 0.61 -0.54 0.13 0.00 1.87 0.00 0.00 56.30 58.36 1br0 h ASN 87 Cb 1.10 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 39.43 1br0 h ASN 87 CO -0.46 1.12 0.50 0.11 -0.37 0.00 0.00 177.43 178.33 1br0 h LYS 88 N 0.33 0.52 0.00 6.67 1.57 -0.88 -3.03 116.57 121.75 1br0 h LYS 88 Ca 0.01 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1br0 h LYS 88 Cb 0.99 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1br0 h LYS 88 CO 0.09 0.35 -1.06 1.55 -0.57 0.00 0.00 179.45 179.81 1br0 n VAL 89 N -4.50 1.50 -0.17 0.50 3.14 -0.10 -4.10 118.33 114.61 1br0 n VAL 89 Ca 0.14 0.04 -0.07 0.00 -2.96 0.00 0.00 64.34 61.49 1br0 n VAL 89 Cb 0.44 -2.15 0.02 0.00 -1.06 0.00 0.00 33.84 31.10 1br0 n VAL 89 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1br0 h ARG 90 N -1.00 0.65 0.00 1.45 0.11 -1.06 -1.47 114.38 113.06 1br0 h ARG 90 Ca -0.25 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 1br0 h ARG 90 Cb 1.07 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.00 1br0 h ARG 90 CO -0.15 0.43 -0.11 1.03 0.10 0.00 0.00 179.97 181.26 1br0 h SER 91 N 0.67 0.00 0.29 0.08 0.87 -1.75 -0.72 113.55 113.00 1br0 h SER 91 Ca 0.18 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.41 1br0 h SER 91 Cb -0.07 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1br0 h SER 91 CO -0.04 0.11 -1.55 0.11 -0.53 0.00 0.00 176.83 174.93 1br0 h LYS 92 N 0.00 0.45 -0.09 2.24 1.79 -1.59 -2.65 116.57 116.73 1br0 h LYS 92 Ca -0.00 -0.77 -0.00 0.00 -2.18 0.00 0.00 60.65 57.69 1br0 h LYS 92 Cb 0.36 0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1br0 h LYS 92 CO 0.01 1.36 0.04 1.25 -1.08 0.00 0.00 179.45 181.04 1br0 h LEU 93 N 0.12 0.12 -1.45 2.94 6.46 -1.29 -2.80 115.31 119.41 1br0 h LEU 93 Ca -0.27 -0.15 0.14 0.00 -0.12 0.00 0.00 57.88 57.48 1br0 h LEU 93 Cb 2.12 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.96 1br0 h LEU 93 CO 0.23 0.24 0.53 0.50 -0.62 0.00 0.00 178.44 179.32 1br0 h LYS 94 N 0.00 0.53 0.00 1.25 1.63 -1.28 -0.60 116.57 118.10 1br0 h LYS 94 Ca 0.03 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1br0 h LYS 94 Cb 0.15 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1br0 h LYS 94 CO -0.00 0.35 -0.01 0.77 -3.45 0.00 0.00 179.45 177.11 1br0 h SER 95 N 0.55 0.00 0.44 4.20 0.02 -1.21 -0.88 113.55 116.66 1br0 h SER 95 Ca 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1br0 h SER 95 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1br0 h SER 95 CO -0.15 0.01 -0.21 0.40 -1.14 0.00 0.00 176.83 175.73 1br0 h ILE 96 N 0.00 0.00 0.00 3.27 5.03 -0.91 -3.14 117.51 121.75 1br0 h ILE 96 Ca -0.00 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 1br0 h ILE 96 Cb 0.18 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.97 1br0 h ILE 96 CO 0.00 0.00 0.00 1.21 -0.68 0.00 0.00 178.15 178.68 1br0 n GLU 97 N -5.00 0.89 0.11 2.37 4.07 -1.17 -0.95 120.64 120.95 1br0 n GLU 97 Ca -0.07 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.04 1br0 n GLU 97 Cb 0.23 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.13 1br0 n GLU 97 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1br0 h GLN 98 N 0.00 0.00 -0.19 5.31 4.20 -1.29 -3.39 115.11 119.75 1br0 h GLN 98 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1br0 h GLN 98 Cb 0.00 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.64 1br0 h GLN 98 CO 0.00 0.45 -0.63 0.43 -0.67 0.00 0.00 178.83 178.41 1br0 n SER 99 N -3.13 2.41 -4.44 1.46 7.64 -0.13 -4.13 113.62 113.30 1br0 n SER 99 Ca -0.01 -3.68 -0.44 0.00 1.01 0.00 0.00 58.87 55.75 1br0 n SER 99 Cb 0.76 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1br0 n SER 99 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1br0 s ILE 100 N -3.33 5.11 -0.16 0.44 1.01 -0.33 -4.64 121.20 119.29 1br0 s ILE 100 Ca 0.40 -2.53 -0.01 0.00 0.00 0.00 0.00 60.65 58.51 1br0 s ILE 100 Cb 0.38 -4.84 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 1br0 s ILE 100 CO -0.05 -1.53 0.43 1.21 0.00 0.00 0.00 174.94 174.99 1br0 n GLU 101 N 5.42 0.00 -0.06 2.79 4.07 -1.26 -1.35 120.64 130.25 1br0 n GLU 101 Ca 0.32 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1br0 n GLU 101 Cb 0.44 -0.24 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 1br0 n GLU 101 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1br0 n GLN 102 N 1.24 0.00 0.00 5.31 0.00 -1.26 -4.62 117.38 118.05 1br0 n GLN 102 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1br0 n GLN 102 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1br0 n GLN 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1br0 n GLU 103 N 0.22 0.25 -0.17 3.69 1.02 -0.56 -4.63 120.64 120.47 1br0 n GLU 103 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1br0 n GLU 103 Cb 0.02 -0.87 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1br0 n GLU 103 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1br0 h GLU 104 N 0.00 -0.13 -0.90 3.49 -0.00 -1.47 -2.48 114.58 113.09 1br0 h GLU 104 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 59.36 59.23 1br0 h GLU 104 Cb 0.74 0.03 -0.09 0.00 -0.00 0.00 0.00 28.75 29.44 1br0 h GLU 104 CO 0.00 -0.09 0.18 0.41 -0.00 0.00 0.00 179.01 179.51 1br0 n GLY 105 N -1.42 2.82 0.00 1.06 0.00 -1.26 -4.41 105.19 101.97 1br0 n GLY 105 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1br0 n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1br0 n LEU 106 N -0.03 0.91 -1.50 0.99 0.00 -0.94 -5.08 117.00 111.35 1br0 n LEU 106 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 56.01 55.34 1br0 n LEU 106 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.36 1br0 n LEU 106 CO 0.25 0.23 0.00 -3.20 0.00 0.00 0.00 177.39 174.67 1br0 n ASN 107 N -0.04 -2.00 -3.89 1.96 2.85 -1.24 -5.03 115.26 107.87 1br0 n ASN 107 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1br0 n ASN 107 Cb 0.07 -1.00 -0.10 0.00 1.24 0.00 0.00 39.78 39.99 1br0 n ASN 107 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1br0 s ARG 108 N -0.07 0.48 -0.28 1.20 1.81 -1.26 -5.06 118.95 115.77 1br0 s ARG 108 Ca 0.00 -0.47 -0.03 0.00 -1.72 0.00 0.00 55.73 53.51 1br0 s ARG 108 Cb 0.00 0.19 0.16 0.00 -0.45 0.00 0.00 34.95 34.85 1br0 s ARG 108 CO 0.00 -0.11 0.53 0.45 -0.68 0.00 0.00 175.30 175.48 1br0 s SER 109 N -1.48 -0.79 -0.23 0.23 0.15 -1.26 -5.04 113.70 105.27 1br0 s SER 109 Ca -0.14 0.77 -0.14 0.00 0.70 0.00 0.00 55.95 57.15 1br0 s SER 109 Cb -0.07 1.81 0.07 0.00 -1.71 0.00 0.00 66.02 66.12 1br0 s SER 109 CO 0.01 -0.27 0.57 -0.94 1.20 0.00 0.00 173.24 173.81 1br0 s SER 110 N 2.75 -0.75 0.27 5.45 1.04 -1.26 -5.09 113.70 116.11 1br0 s SER 110 Ca 0.14 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1br0 s SER 110 Cb -0.15 1.13 0.62 0.00 0.10 0.00 0.00 66.02 67.73 1br0 s SER 110 CO -0.19 -0.22 1.69 0.00 0.98 0.00 0.00 173.24 175.50 1br0 h ALA 111 N 6.91 1.23 -0.61 5.32 0.00 -2.02 -0.36 119.26 129.73 1br0 h ALA 111 Ca -0.33 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1br0 h ALA 111 Cb 1.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1br0 h ALA 111 CO 0.21 -0.35 0.13 -0.44 0.00 0.00 0.00 179.25 178.80 1br0 h ASP 112 N 0.33 0.91 0.28 0.00 5.19 -2.00 -1.25 116.42 119.87 1br0 h ASP 112 Ca 0.50 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.67 1br0 h ASP 112 Cb 0.93 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1br0 h ASP 112 CO -0.54 0.89 -0.27 0.25 -3.12 0.00 0.00 179.24 176.46 1br0 h LEU 113 N 0.92 0.00 0.11 1.55 6.46 -1.63 -3.29 115.31 119.43 1br0 h LEU 113 Ca 0.19 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.60 1br0 h LEU 113 Cb 0.35 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1br0 h LEU 113 CO 0.00 0.27 -1.94 0.54 -0.62 0.00 0.00 178.44 176.69 1br0 n ARG 114 N -4.19 0.74 -0.18 1.25 1.74 -0.28 -3.17 116.66 112.57 1br0 n ARG 114 Ca -0.02 0.27 -0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1br0 n ARG 114 Cb 0.32 -1.73 0.09 0.00 -1.02 0.00 0.00 32.46 30.12 1br0 n ARG 114 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1br0 h ILE 115 N 0.06 0.59 -0.75 0.55 2.04 -1.37 -0.41 117.51 118.22 1br0 h ILE 115 Ca -0.40 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1br0 h ILE 115 Cb 2.03 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 1br0 h ILE 115 CO 0.09 0.03 0.47 0.03 0.00 0.00 0.00 178.15 178.77 1br0 h ARG 116 N 0.17 0.88 -0.04 2.37 3.08 -1.67 -2.71 114.38 116.46 1br0 h ARG 116 Ca 0.29 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 1br0 h ARG 116 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1br0 h ARG 116 CO -0.44 0.58 -0.30 0.87 -1.07 0.00 0.00 179.97 179.61 1br0 h LYS 117 N 0.91 0.07 -0.27 0.04 1.57 -1.43 -2.78 116.57 114.68 1br0 h LYS 117 Ca 0.31 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1br0 h LYS 117 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1br0 h LYS 117 CO -0.13 0.37 0.10 1.15 -0.57 0.00 0.00 179.45 180.37 1br0 h THR 118 N 0.06 1.18 -0.24 -0.16 2.02 -0.76 -0.50 112.91 114.51 1br0 h THR 118 Ca 0.01 -0.57 -0.18 0.00 0.77 0.00 0.00 66.41 66.43 1br0 h THR 118 Cb 0.57 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1br0 h THR 118 CO 0.04 0.19 -0.56 1.56 0.37 0.00 0.00 175.52 177.12 1br0 h GLN 119 N 0.28 0.80 -0.20 6.66 4.20 -1.59 -1.94 115.11 123.32 1br0 h GLN 119 Ca 0.09 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 1br0 h GLN 119 Cb 0.20 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1br0 h GLN 119 CO -0.01 1.17 0.13 1.25 -0.67 0.00 0.00 178.83 180.70 1br0 h HIS 120 N 0.55 0.26 -0.16 2.96 2.76 -1.55 -0.87 115.15 119.11 1br0 h HIS 120 Ca -0.00 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 1br0 h HIS 120 Cb 1.17 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1br0 h HIS 120 CO 0.08 0.20 -0.46 1.03 -1.30 0.00 0.00 177.93 177.48 1br0 h SER 121 N 0.25 0.42 -0.05 3.26 0.87 -1.19 0.14 113.55 117.26 1br0 h SER 121 Ca 0.07 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1br0 h SER 121 Cb 0.01 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1br0 h SER 121 CO -0.01 0.82 -0.30 0.74 -0.53 0.00 0.00 176.83 177.55 1br0 h THR 122 N 0.31 1.45 -0.67 2.23 2.02 -1.42 -2.45 112.91 114.40 1br0 h THR 122 Ca 0.02 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.48 1br0 h THR 122 Cb 0.93 2.43 -0.04 0.00 -1.74 0.00 0.00 68.15 69.72 1br0 h THR 122 CO 0.08 0.50 0.41 -0.07 0.37 0.00 0.00 175.52 176.80 1br0 h LEU 123 N -0.25 0.65 -1.80 2.58 3.38 -1.23 -2.64 115.31 116.01 1br0 h LEU 123 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1br0 h LEU 123 Cb 0.96 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1br0 h LEU 123 CO 0.06 0.45 -0.14 -1.28 0.09 0.00 0.00 178.44 177.61 1br0 h SER 124 N 0.78 0.00 -0.47 -0.43 0.87 -1.07 -0.65 113.55 112.57 1br0 h SER 124 Ca 0.27 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1br0 h SER 124 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1br0 h SER 124 CO -0.12 0.14 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.09 1br0 h ARG 125 N 0.00 0.93 -0.08 2.24 2.43 -1.15 -0.59 114.38 118.16 1br0 h ARG 125 Ca -0.00 -0.37 -0.17 0.00 -0.81 0.00 0.00 59.98 58.63 1br0 h ARG 125 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1br0 h ARG 125 CO 0.02 1.03 -0.68 -0.22 -1.51 0.00 0.00 179.97 178.61 1br0 h LYS 126 N 0.78 0.33 -0.76 0.20 3.64 -1.39 -3.19 116.57 116.17 1br0 h LYS 126 Ca 0.12 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1br0 h LYS 126 Cb 0.70 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1br0 h LYS 126 CO 0.05 0.89 0.50 0.35 -2.27 0.00 0.00 179.45 178.97 1br0 h PHE 127 N 0.24 0.95 -0.31 1.91 3.57 -1.11 -3.22 116.94 118.97 1br0 h PHE 127 Ca -0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1br0 h PHE 127 Cb 1.23 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1br0 h PHE 127 CO 0.03 0.59 -0.09 -0.24 -2.23 0.00 0.00 178.31 176.37 1br0 h VAL 128 N 1.02 1.28 -0.88 1.41 3.04 -1.19 -0.15 116.25 120.78 1br0 h VAL 128 Ca 0.28 -1.15 0.19 0.00 -1.01 0.00 0.00 66.70 65.01 1br0 h VAL 128 Cb -0.09 1.40 -0.07 0.00 -2.01 0.00 0.00 31.29 30.52 1br0 h VAL 128 CO -0.07 0.37 0.58 -0.33 -1.01 0.00 0.00 177.57 177.11 1br0 h GLU 129 N 0.37 0.43 0.00 4.17 5.08 -1.61 -0.83 114.58 122.19 1br0 h GLU 129 Ca 0.08 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1br0 h GLU 129 Cb 0.59 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1br0 h GLU 129 CO 0.03 0.29 -0.93 1.55 -1.00 0.00 0.00 179.01 178.95 1br0 n VAL 130 N -4.52 1.48 -0.27 3.13 3.14 -1.22 -3.98 118.33 116.09 1br0 n VAL 130 Ca 0.18 0.09 -0.05 0.00 -2.96 0.00 0.00 64.34 61.60 1br0 n VAL 130 Cb 0.65 -2.21 0.06 0.00 -1.06 0.00 0.00 33.84 31.27 1br0 n VAL 130 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1br0 h MET 131 N -1.00 1.00 0.00 1.45 -1.53 -1.05 0.88 114.93 114.68 1br0 h MET 131 Ca -0.19 -0.09 -0.05 0.00 -3.44 0.00 0.00 59.70 55.94 1br0 h MET 131 Cb 0.92 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.76 1br0 h MET 131 CO -0.11 0.71 -0.22 0.77 0.14 0.00 0.00 176.91 178.19 1br0 h SER 132 N 1.01 0.00 -0.07 1.39 0.02 -1.35 -0.51 113.55 114.03 1br0 h SER 132 Ca 0.27 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1br0 h SER 132 Cb -0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.51 1br0 h SER 132 CO -0.05 0.22 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.16 1br0 h GLU 133 N 0.00 0.38 -0.59 3.45 5.08 -1.58 -3.26 114.58 118.06 1br0 h GLU 133 Ca -0.00 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1br0 h GLU 133 Cb 0.46 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1br0 h GLU 133 CO 0.03 0.95 0.39 -0.92 -1.00 0.00 0.00 179.01 178.46 1br0 h TYR 134 N -0.09 0.65 -0.91 4.33 3.20 -0.79 -0.57 116.97 122.78 1br0 h TYR 134 Ca -0.03 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.98 1br0 h TYR 134 Cb 1.03 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 39.00 1br0 h TYR 134 CO 0.13 0.37 0.54 -0.91 -1.64 0.00 0.00 178.16 176.65 1br0 h ASN 135 N 0.67 0.76 0.57 -2.11 2.35 -1.17 -3.13 115.58 113.51 1br0 h ASN 135 Ca 0.24 0.06 -0.28 0.00 -0.55 0.00 0.00 56.30 55.77 1br0 h ASN 135 Cb 0.12 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1br0 h ASN 135 CO -0.07 0.39 -1.59 0.00 -1.65 0.00 0.00 177.43 174.51 1br0 h ALA 136 N 1.52 0.69 -0.80 -0.83 0.00 -1.55 -3.39 119.26 114.89 1br0 h ALA 136 Ca 0.46 -1.37 0.05 0.00 0.00 0.00 0.00 54.91 54.05 1br0 h ALA 136 Cb 0.50 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1br0 h ALA 136 CO -0.28 1.52 0.50 1.15 0.00 0.00 0.00 179.25 182.14 1br0 h THR 137 N 0.00 1.07 0.04 0.00 2.02 -1.06 -0.39 112.91 114.59 1br0 h THR 137 Ca -0.24 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1br0 h THR 137 Cb 1.97 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1br0 h THR 137 CO 0.09 0.17 -0.02 -0.61 0.37 0.00 0.00 175.52 175.52 1br0 h GLN 138 N 0.94 -0.05 -0.25 6.66 4.15 -1.79 -1.76 115.11 123.00 1br0 h GLN 138 Ca 0.34 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.63 1br0 h GLN 138 Cb 0.10 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1br0 h GLN 138 CO -0.15 0.52 -0.39 0.77 -1.93 0.00 0.00 178.83 177.66 1br0 h SER 139 N -0.68 0.62 0.45 -0.69 0.02 -1.76 -3.13 113.55 108.38 1br0 h SER 139 Ca -0.01 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1br0 h SER 139 Cb 0.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1br0 h SER 139 CO 0.01 0.94 -0.44 0.44 -1.14 0.00 0.00 176.83 176.64 1br0 h ASP 140 N 0.49 0.00 -0.03 3.07 5.19 -1.20 -3.11 116.42 120.82 1br0 h ASP 140 Ca 0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 1br0 h ASP 140 Cb 0.89 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 1br0 h ASP 140 CO 0.08 0.44 0.02 0.00 -3.12 0.00 0.00 179.24 176.65 1br0 n TYR 141 N -4.01 0.09 0.00 4.55 9.36 -0.66 -0.78 117.16 125.71 1br0 n TYR 141 Ca -0.02 -0.48 0.00 0.00 3.32 0.00 0.00 57.90 60.73 1br0 n TYR 141 Cb 0.47 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1br0 n TYR 141 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1br0 n ARG 142 N 0.40 3.77 0.00 2.98 1.74 -1.18 -4.48 116.66 119.89 1br0 n ARG 142 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1br0 n ARG 142 Cb 0.50 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1br0 n ARG 142 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1br0 n GLU 143 N -0.49 0.00 0.00 5.56 1.02 -1.24 -4.13 120.64 121.36 1br0 n GLU 143 Ca 0.00 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1br0 n GLU 143 Cb 0.03 -1.11 0.20 0.00 -0.02 0.00 0.00 31.44 30.53 1br0 n GLU 143 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1br0 n ARG 144 N -1.89 0.20 -3.66 3.49 3.00 -1.26 -4.96 116.66 111.58 1br0 n ARG 144 Ca 0.00 -0.13 -0.24 0.00 -0.00 0.00 0.00 57.85 57.48 1br0 n ARG 144 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.00 1br0 n ARG 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1br0 n SER 145 N -1.29 -2.89 0.00 6.15 2.88 -1.24 -5.07 113.62 112.15 1br0 n SER 145 Ca 0.07 -0.88 0.13 0.00 -1.33 0.00 0.00 58.87 56.85 1br0 n SER 145 Cb 0.34 -3.92 0.75 0.00 -0.75 0.00 0.00 64.21 60.63 1br0 n SER 145 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98