#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 0.79 0.09 -0.67 2.47 -2.06 -2.63 114.38 112.38 1br0 h ARG 28 Ca 0.00 -0.36 -0.14 0.00 -1.26 0.00 0.00 59.98 58.23 1br0 h ARG 28 Cb 0.00 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1br0 h ARG 28 CO 0.00 0.98 -0.60 0.74 0.56 0.00 0.00 179.97 181.65 1br0 h PHE 29 N 0.67 0.42 -0.25 3.04 0.04 -2.06 -2.73 116.94 116.08 1br0 h PHE 29 Ca 0.08 -0.30 -0.15 0.00 2.80 0.00 0.00 57.97 60.40 1br0 h PHE 29 Cb 0.82 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1br0 h PHE 29 CO 0.04 1.21 -0.48 0.52 -0.60 0.00 0.00 178.31 179.01 1br0 h MET 30 N -0.48 0.66 -0.96 1.51 2.86 -2.01 -2.56 114.93 113.95 1br0 h MET 30 Ca -0.10 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1br0 h MET 30 Cb 1.45 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.09 1br0 h MET 30 CO 0.11 0.99 0.63 0.22 1.06 0.00 0.00 176.91 179.93 1br0 h ASP 31 N 0.53 1.11 -0.51 1.22 3.58 -1.60 -2.25 116.42 118.49 1br0 h ASP 31 Ca 0.03 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1br0 h ASP 31 Cb 1.02 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 1br0 h ASP 31 CO 0.10 0.81 0.18 -0.33 -2.88 0.00 0.00 179.24 177.12 1br0 h GLU 32 N 1.31 0.83 -0.08 0.28 4.39 -1.47 -2.83 114.58 117.00 1br0 h GLU 32 Ca 0.35 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1br0 h GLU 32 Cb -0.14 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.36 1br0 h GLU 32 CO -0.08 0.72 0.05 0.35 -1.16 0.00 0.00 179.01 178.89 1br0 h PHE 33 N 0.81 0.10 -0.22 4.33 3.57 -1.21 -2.72 116.94 121.59 1br0 h PHE 33 Ca 0.19 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1br0 h PHE 33 Cb 0.23 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1br0 h PHE 33 CO 0.01 0.07 -0.29 0.74 -2.23 0.00 0.00 178.31 176.61 1br0 h PHE 34 N 0.10 0.51 -0.33 0.41 0.04 -1.42 -3.23 116.94 113.02 1br0 h PHE 34 Ca 0.03 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1br0 h PHE 34 Cb -0.01 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1br0 h PHE 34 CO -0.07 0.70 0.03 0.93 -0.60 0.00 0.00 178.31 179.29 1br0 h GLU 35 N 0.39 0.56 0.00 1.51 4.39 -1.58 -3.34 114.58 116.51 1br0 h GLU 35 Ca 0.05 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1br0 h GLU 35 Cb 0.71 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1br0 h GLU 35 CO 0.05 0.67 -0.01 -0.56 -1.16 0.00 0.00 179.01 178.00 1br0 h GLN 36 N 0.38 0.00 -0.10 2.33 3.07 -1.52 -3.34 115.11 115.92 1br0 h GLN 36 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.84 1br0 h GLN 36 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 1br0 h GLN 36 CO 0.01 0.01 0.06 0.28 0.09 0.00 0.00 178.83 179.28 1br0 h VAL 37 N 0.00 1.07 -0.25 1.86 2.07 -1.68 -2.80 116.25 116.51 1br0 h VAL 37 Ca -0.00 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1br0 h VAL 37 Cb 0.52 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1br0 h VAL 37 CO 0.00 0.06 0.22 1.05 0.02 0.00 0.00 177.57 178.92 1br0 h GLU 38 N 0.10 0.00 0.03 1.57 4.11 -1.78 -0.46 114.58 118.15 1br0 h GLU 38 Ca 0.04 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.23 1br0 h GLU 38 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1br0 h GLU 38 CO -0.01 0.00 -1.02 1.05 0.07 0.00 0.00 179.01 179.11 1br0 h GLU 39 N 0.00 0.41 0.60 1.06 4.11 -1.73 -2.06 114.58 116.96 1br0 h GLU 39 Ca 0.12 -0.48 -0.03 0.00 0.07 0.00 0.00 59.36 59.04 1br0 h GLU 39 Cb 0.55 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1br0 h GLU 39 CO -0.00 1.15 -0.29 0.82 0.07 0.00 0.00 179.01 180.76 1br0 h ILE 40 N 0.21 0.00 -1.13 -1.06 2.04 -1.16 -2.40 117.51 114.01 1br0 h ILE 40 Ca -0.10 -0.01 0.31 0.00 1.00 0.00 0.00 64.86 66.06 1br0 h ILE 40 Cb 1.67 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 1br0 h ILE 40 CO 0.18 0.00 0.76 0.03 0.00 0.00 0.00 178.15 179.12 1br0 h ARG 41 N -0.81 0.19 0.02 2.37 3.08 -1.25 0.08 114.38 118.06 1br0 h ARG 41 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1br0 h ARG 41 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1br0 h ARG 41 CO 0.13 0.13 -0.01 0.78 -1.07 0.00 0.00 179.97 179.93 1br0 h GLY 42 N 0.20 -0.03 0.98 0.04 0.00 -1.31 -0.74 103.07 102.21 1br0 h GLY 42 Ca 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.90 1br0 h GLY 42 CO -0.18 -0.01 0.18 0.74 0.00 0.00 0.00 176.54 177.26 1br0 h PHE 43 N -0.03 0.83 -0.31 5.60 0.04 -0.71 -2.88 116.94 119.48 1br0 h PHE 43 Ca -0.00 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.71 1br0 h PHE 43 Cb 0.03 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1br0 h PHE 43 CO -0.08 0.70 0.15 0.82 -0.60 0.00 0.00 178.31 179.31 1br0 h ILE 44 N 0.71 0.99 -0.68 -0.55 2.04 -1.02 -0.55 117.51 118.45 1br0 h ILE 44 Ca 0.17 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.01 1br0 h ILE 44 Cb 0.25 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1br0 h ILE 44 CO -0.01 0.06 0.33 -0.78 0.00 0.00 0.00 178.15 177.75 1br0 h ASP 45 N 0.32 0.42 0.64 1.72 3.58 -1.19 -0.60 116.42 121.31 1br0 h ASP 45 Ca 0.13 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1br0 h ASP 45 Cb 0.05 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1br0 h ASP 45 CO -0.09 0.24 -0.09 0.50 -2.88 0.00 0.00 179.24 176.92 1br0 h LYS 46 N 0.56 0.00 0.06 0.28 1.63 -1.23 -0.63 116.57 117.23 1br0 h LYS 46 Ca 0.33 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1br0 h LYS 46 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1br0 h LYS 46 CO -0.27 0.09 -0.03 0.82 -3.45 0.00 0.00 179.45 176.61 1br0 h ILE 47 N 0.00 0.00 -0.02 2.00 1.08 -0.56 -3.00 117.51 117.02 1br0 h ILE 47 Ca -0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1br0 h ILE 47 Cb 0.43 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1br0 h ILE 47 CO 0.01 0.00 0.04 0.00 -0.69 0.00 0.00 178.15 177.51 1br0 h ALA 48 N -1.63 1.26 0.02 1.87 0.00 -1.18 0.10 119.26 119.70 1br0 h ALA 48 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1br0 h ALA 48 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1br0 h ALA 48 CO 0.01 -0.05 -0.41 0.93 0.00 0.00 0.00 179.25 179.73 1br0 h GLU 49 N 0.00 0.25 -0.27 0.00 5.08 -1.29 -2.67 114.58 115.67 1br0 h GLU 49 Ca 0.01 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1br0 h GLU 49 Cb 0.09 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1br0 h GLU 49 CO -0.00 1.02 -0.32 -0.97 -1.00 0.00 0.00 179.01 177.74 1br0 h ASN 50 N -0.40 0.75 -0.50 1.42 -0.73 -1.24 -2.84 115.58 112.03 1br0 h ASN 50 Ca -0.06 -0.49 0.06 0.00 1.87 0.00 0.00 56.30 57.68 1br0 h ASN 50 Cb 1.18 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.51 1br0 h ASN 50 CO 0.08 1.09 0.21 0.58 -0.37 0.00 0.00 177.43 179.02 1br0 h VAL 51 N 0.43 0.88 -0.57 2.57 2.07 -0.98 -0.45 116.25 120.19 1br0 h VAL 51 Ca 0.04 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1br0 h VAL 51 Cb 0.90 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1br0 h VAL 51 CO 0.08 0.08 0.38 -0.33 0.02 0.00 0.00 177.57 177.79 1br0 h GLU 52 N 0.41 0.54 -0.38 1.57 5.08 -1.52 -2.63 114.58 117.64 1br0 h GLU 52 Ca 0.24 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1br0 h GLU 52 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1br0 h GLU 52 CO -0.21 0.35 -0.02 1.49 -1.00 0.00 0.00 179.01 179.62 1br0 h GLU 53 N 0.55 0.69 -0.57 2.33 4.57 -1.01 -3.27 114.58 117.87 1br0 h GLU 53 Ca 0.25 -0.23 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 1br0 h GLU 53 Cb 0.27 -0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 1br0 h GLU 53 CO -0.07 0.80 -0.05 0.28 -1.18 0.00 0.00 179.01 178.79 1br0 h VAL 54 N 0.50 0.50 0.00 0.32 2.07 -0.84 -2.69 116.25 116.11 1br0 h VAL 54 Ca 0.10 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1br0 h VAL 54 Cb 0.51 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1br0 h VAL 54 CO 0.02 0.01 -0.09 0.11 0.02 0.00 0.00 177.57 177.65 1br0 h LYS 55 N 0.07 0.00 0.02 1.57 1.57 -1.53 0.44 116.57 118.70 1br0 h LYS 55 Ca 0.29 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.84 1br0 h LYS 55 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1br0 h LYS 55 CO -0.52 0.09 -0.96 0.07 -0.57 0.00 0.00 179.45 177.55 1br0 h ARG 56 N 0.00 0.36 0.00 3.15 0.11 -1.54 -3.36 114.38 113.11 1br0 h ARG 56 Ca -0.00 -0.41 -0.18 0.00 0.10 0.00 0.00 59.98 59.49 1br0 h ARG 56 Cb 0.18 0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.39 1br0 h ARG 56 CO 0.01 1.09 -0.71 0.87 0.10 0.00 0.00 179.97 181.34 1br0 h LYS 57 N 0.19 0.47 -0.44 0.08 1.57 -1.20 -3.38 116.57 113.86 1br0 h LYS 57 Ca -0.08 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.15 1br0 h LYS 57 Cb 1.61 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1br0 h LYS 57 CO 0.16 1.16 0.12 0.45 -0.57 0.00 0.00 179.45 180.77 1br0 h HIS 58 N -0.00 0.66 -0.03 -1.35 3.86 -1.10 -2.73 115.15 114.46 1br0 h HIS 58 Ca -0.09 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.02 1br0 h HIS 58 Cb 1.41 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1br0 h HIS 58 CO 0.14 0.55 -0.18 1.03 0.86 0.00 0.00 177.93 180.33 1br0 h SER 59 N 0.64 0.22 0.69 2.45 0.87 -1.77 -0.47 113.55 116.19 1br0 h SER 59 Ca 0.15 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1br0 h SER 59 Cb 0.22 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1br0 h SER 59 CO -0.01 0.86 -0.08 0.00 -0.53 0.00 0.00 176.83 177.07 1br0 h ALA 60 N 0.37 1.07 0.06 6.23 0.00 -1.74 -1.99 119.26 123.26 1br0 h ALA 60 Ca -0.01 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1br0 h ALA 60 Cb 0.86 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1br0 h ALA 60 CO 0.04 0.10 -1.89 -0.89 0.00 0.00 0.00 179.25 176.61 1br0 n ILE 61 N -3.29 1.69 0.24 0.00 5.41 -1.03 -0.92 119.36 121.46 1br0 n ILE 61 Ca -0.01 -0.72 0.07 0.00 1.00 0.00 0.00 62.75 63.09 1br0 n ILE 61 Cb 0.28 -1.38 0.57 0.00 -0.71 0.00 0.00 39.64 38.40 1br0 n ILE 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1br0 h LEU 62 N 0.04 0.00 0.08 1.39 6.46 -1.09 -2.43 115.31 119.75 1br0 h LEU 62 Ca -0.37 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1br0 h LEU 62 Cb 2.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1br0 h LEU 62 CO 0.08 0.11 -0.04 0.00 -0.62 0.00 0.00 178.44 177.97 1br0 h ALA 63 N 1.89 -0.11 -2.15 1.25 0.00 -1.46 -3.39 119.26 115.29 1br0 h ALA 63 Ca -0.00 -0.27 -0.72 0.00 0.00 0.00 0.00 54.91 53.92 1br0 h ALA 63 Cb 0.20 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.83 1br0 h ALA 63 CO 0.01 -0.16 0.51 -1.12 0.00 0.00 0.00 179.25 178.49 1br0 s SER 64 N -5.72 6.58 0.16 0.00 0.01 -0.10 -4.93 113.70 109.70 1br0 s SER 64 Ca -0.13 -2.08 0.19 0.00 1.31 0.00 0.00 55.95 55.24 1br0 s SER 64 Cb -0.01 -2.33 0.81 0.00 0.21 0.00 0.00 66.02 64.70 1br0 s SER 64 CO 0.48 -0.96 1.57 -2.65 0.41 0.00 0.00 173.24 172.09 1br0 n PRO 65 N 5.88 0.11 -3.79 12.44 -0.02 -0.92 -3.55 135.00 145.14 1br0 n PRO 65 Ca 0.15 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.75 1br0 n PRO 65 Cb 0.47 -1.73 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 1br0 n PRO 65 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1br0 s ASN 66 N -3.72 4.08 0.00 2.55 0.01 -1.26 -5.08 114.94 111.52 1br0 s ASN 66 Ca 0.04 -3.60 0.00 0.00 -0.71 0.00 0.00 52.86 48.59 1br0 s ASN 66 Cb 0.08 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.37 1br0 s ASN 66 CO 0.30 -0.12 0.00 -0.81 -1.51 0.00 0.00 177.10 174.96 1br0 n PRO 67 N 2.28 2.19 -1.60 -0.60 -0.05 -1.23 -5.11 135.00 130.88 1br0 n PRO 67 Ca 0.20 0.00 -0.31 0.00 -0.05 0.00 0.00 63.50 63.34 1br0 n PRO 67 Cb 0.37 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 33.87 1br0 n PRO 67 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1br0 s ASP 68 N -1.00 5.32 0.58 3.54 1.01 -1.26 -5.00 116.67 119.87 1br0 s ASP 68 Ca 0.00 1.67 0.29 0.00 0.71 0.00 0.00 52.55 55.22 1br0 s ASP 68 Cb 0.00 -2.50 1.50 0.00 1.01 0.00 0.00 42.92 42.92 1br0 s ASP 68 CO 0.00 -1.48 1.94 -0.33 0.21 0.00 0.00 175.17 175.51 1br0 h GLU 69 N -0.61 0.00 -0.94 8.23 5.08 -2.03 -2.46 114.58 121.84 1br0 h GLU 69 Ca -0.44 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1br0 h GLU 69 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1br0 h GLU 69 CO 0.56 0.00 0.61 -0.22 -1.00 0.00 0.00 179.01 178.96 1br0 h LYS 70 N 0.00 1.00 0.34 2.33 3.64 -2.02 -3.30 116.57 118.56 1br0 h LYS 70 Ca 0.21 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1br0 h LYS 70 Cb 1.08 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1br0 h LYS 70 CO -0.00 0.66 -0.17 1.79 -2.27 0.00 0.00 179.45 179.46 1br0 h THR 71 N 1.03 0.38 0.22 1.00 1.35 -1.83 -3.37 112.91 111.69 1br0 h THR 71 Ca 0.42 -0.73 -0.29 0.00 -0.55 0.00 0.00 66.41 65.26 1br0 h THR 71 Cb 0.29 0.61 0.03 0.00 -1.73 0.00 0.00 68.15 67.36 1br0 h THR 71 CO -0.18 0.09 -1.27 0.11 -0.25 0.00 0.00 175.52 174.01 1br0 h LYS 72 N -1.00 0.48 -1.18 4.72 1.57 -1.73 -3.26 116.57 116.18 1br0 h LYS 72 Ca -0.05 -0.81 0.37 0.00 -1.87 0.00 0.00 60.65 58.29 1br0 h LYS 72 Cb 0.50 0.30 -0.12 0.00 0.08 0.00 0.00 32.23 32.98 1br0 h LYS 72 CO 0.08 1.38 0.74 0.93 -0.57 0.00 0.00 179.45 182.01 1br0 h GLU 73 N 0.00 0.20 0.00 3.15 4.39 -1.78 -0.66 114.58 119.89 1br0 h GLU 73 Ca -0.22 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.30 1br0 h GLU 73 Cb 2.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 1br0 h GLU 73 CO 0.24 0.13 -0.78 0.93 -1.16 0.00 0.00 179.01 178.37 1br0 h GLU 74 N 0.21 0.00 -0.78 2.33 5.08 -1.72 -3.41 114.58 116.29 1br0 h GLU 74 Ca 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.10 1br0 h GLU 74 Cb 2.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 1br0 h GLU 74 CO -0.43 0.78 0.47 -0.07 -1.00 0.00 0.00 179.01 178.76 1br0 h LEU 75 N 0.00 0.94 -1.67 1.33 3.38 -1.15 -2.31 115.31 115.83 1br0 h LEU 75 Ca -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1br0 h LEU 75 Cb 1.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1br0 h LEU 75 CO 0.10 0.73 -0.15 -0.33 0.09 0.00 0.00 178.44 178.88 1br0 h GLU 76 N 1.07 0.02 0.10 1.13 5.08 -1.80 -2.86 114.58 117.32 1br0 h GLU 76 Ca 0.28 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1br0 h GLU 76 Cb -0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1br0 h GLU 76 CO -0.05 0.17 -0.05 1.49 -1.00 0.00 0.00 179.01 179.57 1br0 h GLU 77 N 0.02 -0.13 -0.31 2.33 4.57 -1.69 -3.17 114.58 116.19 1br0 h GLU 77 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1br0 h GLU 77 Cb 0.28 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1br0 h GLU 77 CO 0.02 0.37 -0.09 1.37 -1.18 0.00 0.00 179.01 179.49 1br0 h LEU 78 N -0.77 0.50 -0.16 1.64 8.10 -1.47 -0.57 115.31 122.58 1br0 h LEU 78 Ca -0.01 -0.12 -0.11 0.00 0.11 0.00 0.00 57.88 57.75 1br0 h LEU 78 Cb 0.56 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1br0 h LEU 78 CO 0.02 0.64 -0.32 0.24 -4.11 0.00 0.00 178.44 174.91 1br0 h MET 79 N 0.49 0.50 0.00 0.17 2.86 -1.70 -2.89 114.93 114.36 1br0 h MET 79 Ca 0.09 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1br0 h MET 79 Cb 0.46 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1br0 h MET 79 CO 0.03 0.93 -0.24 1.03 1.06 0.00 0.00 176.91 179.72 1br0 h SER 80 N 0.13 0.00 -0.20 1.22 0.87 -1.54 -2.69 113.55 111.34 1br0 h SER 80 Ca 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1br0 h SER 80 Cb 0.91 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1br0 h SER 80 CO 0.07 0.24 -0.09 -0.78 -0.53 0.00 0.00 176.83 175.74 1br0 h ASP 81 N 0.00 0.42 -0.41 6.23 1.82 -1.15 -2.39 116.42 120.94 1br0 h ASP 81 Ca -0.00 -0.40 -0.14 0.00 -0.39 0.00 0.00 57.03 56.09 1br0 h ASP 81 Cb 0.47 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1br0 h ASP 81 CO 0.03 0.73 -0.30 0.40 -1.61 0.00 0.00 179.24 178.49 1br0 h ILE 82 N 0.11 1.27 -0.18 2.25 2.04 -1.56 -2.15 117.51 119.30 1br0 h ILE 82 Ca 0.05 -1.47 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1br0 h ILE 82 Cb 0.57 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1br0 h ILE 82 CO 0.03 0.50 0.00 0.50 0.00 0.00 0.00 178.15 179.17 1br0 h LYS 83 N 0.79 0.06 -0.24 2.37 3.11 -1.57 -0.58 116.57 120.52 1br0 h LYS 83 Ca 0.09 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.81 1br0 h LYS 83 Cb 0.88 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1br0 h LYS 83 CO 0.08 0.04 -0.27 0.87 -2.81 0.00 0.00 179.45 177.36 1br0 h LYS 84 N 0.06 0.60 0.01 1.90 1.57 -1.45 -2.67 116.57 116.59 1br0 h LYS 84 Ca 0.08 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1br0 h LYS 84 Cb 0.10 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1br0 h LYS 84 CO -0.14 0.93 -0.01 1.15 -0.57 0.00 0.00 179.45 180.81 1br0 h THR 85 N 0.30 1.30 -0.88 -0.16 2.02 -1.47 -2.74 112.91 111.28 1br0 h THR 85 Ca 0.03 -0.97 0.10 0.00 0.77 0.00 0.00 66.41 66.34 1br0 h THR 85 Cb 0.84 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 1br0 h THR 85 CO 0.07 0.25 0.57 0.00 0.37 0.00 0.00 175.52 176.78 1br0 h ALA 86 N 0.54 1.66 -0.30 6.16 0.00 -1.22 -2.42 119.26 123.69 1br0 h ALA 86 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1br0 h ALA 86 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1br0 h ALA 86 CO 0.00 0.15 -0.41 -0.91 0.00 0.00 0.00 179.25 178.08 1br0 h ASN 87 N 0.85 0.78 -0.72 0.00 2.35 -1.55 -0.73 115.58 116.56 1br0 h ASN 87 Ca 0.41 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1br0 h ASN 87 Cb 0.44 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1br0 h ASN 87 CO -0.18 1.09 0.26 0.50 -1.65 0.00 0.00 177.43 177.45 1br0 h LYS 88 N 0.59 1.09 0.07 0.81 3.64 -1.24 -3.19 116.57 118.34 1br0 h LYS 88 Ca 0.05 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1br0 h LYS 88 Cb 0.96 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1br0 h LYS 88 CO 0.09 0.91 -0.03 -0.24 -2.27 0.00 0.00 179.45 177.91 1br0 h VAL 89 N 1.04 1.14 -0.69 2.00 3.04 -1.51 -3.32 116.25 117.94 1br0 h VAL 89 Ca 0.24 -1.50 0.10 0.00 -1.01 0.00 0.00 66.70 64.53 1br0 h VAL 89 Cb 0.25 2.00 -0.08 0.00 -2.01 0.00 0.00 31.29 31.46 1br0 h VAL 89 CO -0.01 0.33 0.31 0.08 -1.01 0.00 0.00 177.57 177.27 1br0 h ARG 90 N -0.86 0.51 -0.07 4.17 0.11 -1.25 -1.37 114.38 115.61 1br0 h ARG 90 Ca -0.01 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.06 1br0 h ARG 90 Cb 0.61 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 1br0 h ARG 90 CO 0.02 0.34 0.05 1.03 0.10 0.00 0.00 179.97 181.50 1br0 h SER 91 N 0.52 0.01 -0.19 0.08 0.87 -1.75 -2.77 113.55 110.32 1br0 h SER 91 Ca 0.35 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.73 1br0 h SER 91 Cb 0.42 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1br0 h SER 91 CO -0.30 0.01 -0.56 0.11 -0.53 0.00 0.00 176.83 175.55 1br0 h LYS 92 N 0.01 0.79 -0.45 2.24 1.79 -1.36 -3.17 116.57 116.43 1br0 h LYS 92 Ca 0.03 -0.51 0.06 0.00 -2.18 0.00 0.00 60.65 58.06 1br0 h LYS 92 Cb 0.11 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1br0 h LYS 92 CO -0.00 1.14 0.14 -0.07 -1.08 0.00 0.00 179.45 179.57 1br0 h LEU 93 N 0.60 0.11 -1.14 2.94 4.07 -1.21 -2.86 115.31 117.83 1br0 h LEU 93 Ca 0.01 0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.09 1br0 h LEU 93 Cb 1.16 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.90 1br0 h LEU 93 CO 0.12 0.10 0.59 0.11 -1.08 0.00 0.00 178.44 178.28 1br0 h LYS 94 N 0.29 1.00 -0.01 1.13 1.79 -1.59 -2.29 116.57 116.90 1br0 h LYS 94 Ca 0.21 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1br0 h LYS 94 Cb 0.23 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1br0 h LYS 94 CO -0.24 0.66 0.05 1.03 -1.08 0.00 0.00 179.45 179.87 1br0 h SER 95 N 1.03 0.00 0.03 0.86 0.87 -1.47 0.14 113.55 115.01 1br0 h SER 95 Ca 0.39 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1br0 h SER 95 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1br0 h SER 95 CO -0.15 0.00 -0.17 0.40 -0.53 0.00 0.00 176.83 176.38 1br0 h ILE 96 N 0.00 1.74 -0.69 2.23 5.03 -1.41 -2.83 117.51 121.58 1br0 h ILE 96 Ca 0.00 -2.39 0.00 0.00 -0.12 0.00 0.00 64.86 62.36 1br0 h ILE 96 Cb 0.10 3.35 -0.03 0.00 -3.03 0.00 0.00 36.82 37.20 1br0 h ILE 96 CO -0.00 0.63 0.44 -0.08 -0.68 0.00 0.00 178.15 178.46 1br0 h GLU 97 N -0.88 0.92 -0.76 2.37 4.22 -1.17 -1.97 114.58 117.32 1br0 h GLU 97 Ca -0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1br0 h GLU 97 Cb 1.13 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1br0 h GLU 97 CO 0.03 0.63 0.27 1.96 -2.18 0.00 0.00 179.01 179.72 1br0 h GLN 98 N 0.94 1.16 0.00 1.92 1.08 -0.92 -3.12 115.11 116.17 1br0 h GLN 98 Ca 0.25 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1br0 h GLN 98 Cb -0.07 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 1br0 h GLN 98 CO -0.05 0.96 -0.24 0.77 -0.95 0.00 0.00 178.83 179.32 1br0 h SER 99 N 1.11 0.00 0.15 1.46 0.02 -1.41 -3.06 113.55 111.82 1br0 h SER 99 Ca 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1br0 h SER 99 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1br0 h SER 99 CO -0.01 0.24 -0.07 0.40 -1.14 0.00 0.00 176.83 176.25 1br0 h ILE 100 N 0.00 0.00 -1.84 3.27 2.04 -1.39 -1.84 117.51 117.75 1br0 h ILE 100 Ca -0.00 -0.41 0.54 0.00 1.00 0.00 0.00 64.86 65.99 1br0 h ILE 100 Cb 0.81 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1br0 h ILE 100 CO 0.03 0.00 1.32 -0.33 0.00 0.00 0.00 178.15 179.17 1br0 h GLU 101 N -0.61 0.00 0.07 2.37 5.08 -1.68 -0.30 114.58 119.50 1br0 h GLU 101 Ca -0.02 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 1br0 h GLU 101 Cb 0.16 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1br0 h GLU 101 CO 0.03 0.00 -1.87 0.94 -1.00 0.00 0.00 179.01 177.11 1br0 n GLN 102 N -4.01 0.70 0.00 2.33 -0.06 -1.16 -4.28 117.38 110.90 1br0 n GLN 102 Ca 0.42 0.28 0.09 0.00 -2.00 0.00 0.00 57.00 55.78 1br0 n GLN 102 Cb 1.89 -1.75 0.52 0.00 -4.06 0.00 0.00 30.24 26.84 1br0 n GLN 102 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1br0 n GLU 103 N -3.28 0.85 0.03 3.69 1.02 -0.27 -3.81 120.64 118.88 1br0 n GLU 103 Ca -0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.87 1br0 n GLU 103 Cb 1.05 -1.32 -0.01 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.14 -0.57 3.49 -0.00 -1.35 -3.35 114.58 112.67 1br0 h GLU 104 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1br0 h GLU 104 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1br0 h GLU 104 CO 0.00 -0.09 0.00 0.41 -0.00 0.00 0.00 179.01 179.33 1br0 n GLY 105 N 1.31 1.69 0.12 1.06 0.00 -1.26 -3.83 105.19 104.28 1br0 n GLY 105 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 1br0 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1br0 h LEU 106 N 3.06 -0.18 -5.00 0.99 6.46 -1.71 -3.47 115.31 115.46 1br0 h LEU 106 Ca 0.00 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1br0 h LEU 106 Cb 0.87 0.05 -0.14 0.00 -0.73 0.00 0.00 40.66 40.71 1br0 h LEU 106 CO 0.07 0.21 -0.22 -3.20 -0.62 0.00 0.00 178.44 174.68 1br0 n ASN 107 N -4.45 -1.95 -3.66 1.25 2.85 -1.26 -5.12 115.26 102.92 1br0 n ASN 107 Ca -0.03 -2.17 -0.08 0.00 -0.11 0.00 0.00 54.58 52.19 1br0 n ASN 107 Cb 0.08 1.11 -0.09 0.00 1.24 0.00 0.00 39.78 42.13 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 0.47 0.57 -0.27 1.20 0.52 -1.25 -5.03 118.95 115.16 1br0 s ARG 108 Ca 0.28 1.04 -0.02 0.00 -0.52 0.00 0.00 55.73 56.51 1br0 s ARG 108 Cb 0.18 0.08 0.09 0.00 0.52 0.00 0.00 34.95 35.83 1br0 s ARG 108 CO -0.13 -0.16 0.09 0.45 0.02 0.00 0.00 175.30 175.58 1br0 s SER 109 N 1.57 3.57 0.33 0.23 0.15 -1.26 -4.69 113.70 113.60 1br0 s SER 109 Ca -0.10 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1br0 s SER 109 Cb -0.07 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1br0 s SER 109 CO -0.17 -0.40 0.00 -1.54 1.20 0.00 0.00 173.24 172.33 1br0 n SER 110 N 5.04 -4.26 0.00 5.45 3.41 -1.26 -4.72 113.62 117.28 1br0 n SER 110 Ca -0.05 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1br0 n SER 110 Cb 0.43 -3.37 0.00 0.00 -0.26 0.00 0.00 64.21 61.01 1br0 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1br0 n ALA 111 N -3.61 0.00 -0.13 7.33 0.00 -1.26 -4.21 120.51 118.62 1br0 n ALA 111 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1br0 n ALA 111 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 1br0 n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1br0 h ASP 112 N 0.00 1.01 -0.14 0.00 5.19 -2.01 -0.67 116.42 119.81 1br0 h ASP 112 Ca 0.00 -0.45 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 1br0 h ASP 112 Cb 0.00 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 1br0 h ASP 112 CO 0.00 1.25 -0.01 0.25 -3.12 0.00 0.00 179.24 177.62 1br0 h LEU 113 N 0.78 0.34 0.07 1.55 5.85 -1.90 -3.34 115.31 118.65 1br0 h LEU 113 Ca 0.07 -0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.41 1br0 h LEU 113 Cb 0.95 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1br0 h LEU 113 CO 0.09 0.40 -1.86 0.54 -0.34 0.00 0.00 178.44 177.28 1br0 n ARG 114 N -4.33 0.68 -0.29 1.25 1.74 -1.19 -3.85 116.66 110.67 1br0 n ARG 114 Ca 0.01 0.35 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1br0 n ARG 114 Cb 0.21 -1.69 0.21 0.00 -1.02 0.00 0.00 32.46 30.17 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 -0.33 0.24 -0.25 0.55 2.04 -1.28 -1.54 117.51 116.94 1br0 h ILE 115 Ca -0.43 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1br0 h ILE 115 Cb 1.78 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1br0 h ILE 115 CO -0.05 0.02 -0.05 0.03 0.00 0.00 0.00 178.15 178.09 1br0 h ARG 116 N 0.09 0.48 0.00 2.37 3.08 -1.73 -2.77 114.38 115.91 1br0 h ARG 116 Ca 0.48 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 1br0 h ARG 116 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1br0 h ARG 116 CO -0.74 0.70 -0.19 0.87 -1.07 0.00 0.00 179.97 179.54 1br0 h LYS 117 N 0.23 0.00 0.21 0.04 1.57 -1.64 -2.45 116.57 114.53 1br0 h LYS 117 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1br0 h LYS 117 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1br0 h LYS 117 CO 0.02 0.19 -0.10 1.15 -0.57 0.00 0.00 179.45 180.14 1br0 h THR 118 N 0.00 0.88 -0.17 -0.16 2.02 -1.00 -2.50 112.91 111.97 1br0 h THR 118 Ca -0.00 -0.57 -0.20 0.00 0.77 0.00 0.00 66.41 66.41 1br0 h THR 118 Cb 0.56 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1br0 h THR 118 CO 0.02 0.13 -0.69 1.56 0.37 0.00 0.00 175.52 176.91 1br0 h GLN 119 N -0.57 0.71 -0.49 6.66 1.08 -1.63 -3.05 115.11 117.82 1br0 h GLN 119 Ca -0.03 -0.53 0.01 0.00 -1.45 0.00 0.00 58.65 56.64 1br0 h GLN 119 Cb 0.42 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1br0 h GLN 119 CO 0.05 1.15 0.32 1.25 -0.95 0.00 0.00 178.83 180.65 1br0 h HIS 120 N 0.51 0.61 -0.18 2.96 2.76 -1.56 -0.68 115.15 119.57 1br0 h HIS 120 Ca -0.03 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 1br0 h HIS 120 Cb 1.30 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1br0 h HIS 120 CO 0.07 0.38 -0.41 0.77 -1.30 0.00 0.00 177.93 177.45 1br0 h SER 121 N 0.66 0.44 -0.06 3.26 0.02 -1.57 0.14 113.55 116.44 1br0 h SER 121 Ca 0.18 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1br0 h SER 121 Cb -0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1br0 h SER 121 CO -0.04 0.80 -0.20 0.74 -1.14 0.00 0.00 176.83 176.99 1br0 h THR 122 N 0.35 1.44 -0.61 -2.27 2.02 -1.55 -2.02 112.91 110.27 1br0 h THR 122 Ca 0.03 -1.60 0.06 0.00 0.77 0.00 0.00 66.41 65.66 1br0 h THR 122 Cb 0.87 2.33 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 1br0 h THR 122 CO 0.07 0.45 0.33 -0.07 0.37 0.00 0.00 175.52 176.67 1br0 h LEU 123 N -0.28 0.48 -1.23 2.58 3.38 -1.20 -2.73 115.31 116.31 1br0 h LEU 123 Ca -0.01 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1br0 h LEU 123 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1br0 h LEU 123 CO 0.04 0.31 -0.09 0.28 0.09 0.00 0.00 178.44 179.07 1br0 h SER 124 N 0.61 0.39 -0.51 -0.43 0.02 -1.07 -2.37 113.55 110.19 1br0 h SER 124 Ca 0.28 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1br0 h SER 124 Cb 0.18 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1br0 h SER 124 CO -0.18 0.53 0.31 -0.09 -1.14 0.00 0.00 176.83 176.26 1br0 h ARG 125 N 0.39 0.61 -0.18 3.45 2.43 -1.08 -0.65 114.38 119.35 1br0 h ARG 125 Ca 0.08 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1br0 h ARG 125 Cb 0.41 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1br0 h ARG 125 CO 0.02 0.40 -0.35 -0.22 -1.51 0.00 0.00 179.97 178.31 1br0 h LYS 126 N 0.63 0.37 -0.87 0.20 3.64 -1.50 -2.55 116.57 116.49 1br0 h LYS 126 Ca 0.20 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1br0 h LYS 126 Cb 0.01 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1br0 h LYS 126 CO -0.09 0.68 0.57 0.35 -2.27 0.00 0.00 179.45 178.70 1br0 h PHE 127 N 0.32 1.07 -0.05 1.91 3.04 -1.17 -3.00 116.94 119.07 1br0 h PHE 127 Ca 0.04 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 1br0 h PHE 127 Cb 0.78 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1br0 h PHE 127 CO 0.02 0.65 -0.19 0.28 -2.02 0.00 0.00 178.31 177.05 1br0 h VAL 128 N 1.14 1.46 0.00 1.41 2.07 -1.17 -0.32 116.25 120.84 1br0 h VAL 128 Ca 0.33 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1br0 h VAL 128 Cb -0.07 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1br0 h VAL 128 CO -0.09 0.46 0.26 -0.62 0.02 0.00 0.00 177.57 177.59 1br0 n GLU 129 N -4.56 0.03 -0.01 1.57 1.02 -0.96 -1.01 120.64 116.71 1br0 n GLU 129 Ca -0.08 0.37 -0.05 0.00 -0.02 0.00 0.00 57.16 57.37 1br0 n GLU 129 Cb 0.43 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1br0 n GLU 129 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1br0 n VAL 130 N -1.51 0.71 -0.33 2.62 3.14 -1.14 -4.55 118.33 117.27 1br0 n VAL 130 Ca -0.00 0.09 -0.02 0.00 -2.96 0.00 0.00 64.34 61.44 1br0 n VAL 130 Cb 0.26 -1.65 0.10 0.00 -1.06 0.00 0.00 33.84 31.50 1br0 n VAL 130 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1br0 h MET 131 N -0.22 1.15 0.00 1.45 2.86 -1.02 0.17 114.93 119.32 1br0 h MET 131 Ca -0.09 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1br0 h MET 131 Cb 0.77 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1br0 h MET 131 CO -0.06 0.76 -0.46 0.66 1.06 0.00 0.00 176.91 178.87 1br0 h SER 132 N 1.18 0.00 -0.25 1.22 4.64 -1.29 -0.59 113.55 118.46 1br0 h SER 132 Ca 0.34 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.48 1br0 h SER 132 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1br0 h SER 132 CO -0.09 0.46 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.46 1br0 h GLU 133 N 0.00 0.82 -0.46 4.77 4.39 -1.64 -3.20 114.58 119.26 1br0 h GLU 133 Ca -0.00 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 1br0 h GLU 133 Cb 0.83 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1br0 h GLU 133 CO 0.06 1.17 0.19 -0.92 -1.16 0.00 0.00 179.01 178.35 1br0 h TYR 134 N 0.58 0.65 -0.70 4.33 3.20 -0.96 -2.20 116.97 121.87 1br0 h TYR 134 Ca 0.00 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1br0 h TYR 134 Cb 1.16 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 1br0 h TYR 134 CO 0.08 0.50 0.35 -0.91 -1.64 0.00 0.00 178.16 176.54 1br0 h ASN 135 N 0.65 0.46 1.15 -2.11 2.35 -1.14 -2.88 115.58 114.06 1br0 h ASN 135 Ca 0.16 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1br0 h ASN 135 Cb 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1br0 h ASN 135 CO -0.02 0.26 -0.64 0.00 -1.65 0.00 0.00 177.43 175.38 1br0 h ALA 136 N 1.42 0.66 -0.29 -0.83 0.00 -1.53 -3.35 119.26 115.34 1br0 h ALA 136 Ca 0.34 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1br0 h ALA 136 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1br0 h ALA 136 CO -0.26 0.80 0.02 1.15 0.00 0.00 0.00 179.25 180.96 1br0 h THR 137 N 0.00 1.25 -0.13 0.00 2.02 -1.19 -0.77 112.91 114.08 1br0 h THR 137 Ca -0.01 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1br0 h THR 137 Cb 1.39 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1br0 h THR 137 CO 0.08 0.28 -0.01 -0.61 0.37 0.00 0.00 175.52 175.63 1br0 h GLN 138 N 0.29 0.24 -0.29 6.66 4.15 -1.71 -2.36 115.11 122.08 1br0 h GLN 138 Ca 0.08 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1br0 h GLN 138 Cb 0.39 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1br0 h GLN 138 CO 0.01 0.49 -0.29 1.03 -1.93 0.00 0.00 178.83 178.15 1br0 h SER 139 N -0.05 0.61 0.66 -0.69 0.87 -1.70 -3.04 113.55 110.22 1br0 h SER 139 Ca 0.04 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1br0 h SER 139 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1br0 h SER 139 CO 0.01 0.87 0.00 -0.67 -0.53 0.00 0.00 176.83 176.51 1br0 n ASP 140 N -4.09 0.37 0.06 6.23 2.03 -0.29 -0.92 116.55 119.94 1br0 n ASP 140 Ca -0.01 0.59 -0.07 0.00 0.52 0.00 0.00 54.79 55.82 1br0 n ASP 140 Cb 0.45 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 1br0 n ASP 140 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1br0 h TYR 141 N 0.00 -0.23 0.00 -0.67 3.20 -1.31 -3.22 116.97 114.74 1br0 h TYR 141 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1br0 h TYR 141 Cb 0.33 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1br0 h TYR 141 CO 0.00 0.03 -0.88 0.07 -1.64 0.00 0.00 178.16 175.74 1br0 h ARG 142 N -1.02 0.00 0.00 1.82 0.11 -1.60 -0.49 114.38 113.20 1br0 h ARG 142 Ca -0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 1br0 h ARG 142 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1br0 h ARG 142 CO 0.04 0.25 -0.27 1.49 0.10 0.00 0.00 179.97 181.58 1br0 h GLU 143 N 0.00 0.00 -1.78 0.08 4.81 -1.28 -3.30 114.58 113.12 1br0 h GLU 143 Ca -0.06 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.95 1br0 h GLU 143 Cb 1.32 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 1br0 h GLU 143 CO 0.04 0.80 0.20 -2.13 -0.73 0.00 0.00 179.01 177.18 1br0 n ARG 144 N -4.60 1.62 -0.11 1.92 3.00 -1.22 -3.78 116.66 113.50 1br0 n ARG 144 Ca -0.13 -1.08 0.02 0.00 -0.00 0.00 0.00 57.85 56.67 1br0 n ARG 144 Cb 0.43 -1.51 0.08 0.00 0.00 0.00 0.00 32.46 31.47 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 0.99 1.15 0.00 6.15 2.88 -0.19 -4.83 113.62 119.76 1br0 n SER 145 Ca 0.23 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1br0 n SER 145 Cb 0.58 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1br0 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10