#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b27 s LYS 3 N 0.00 3.44 -0.12 -1.58 2.20 -1.26 -2.63 119.74 119.79 1b27 s LYS 3 Ca 0.00 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.92 1b27 s LYS 3 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1b27 s LYS 3 CO 0.00 -0.15 0.20 0.00 -0.36 0.00 0.00 175.35 175.04 1b27 s ALA 4 N 1.39 3.78 -0.03 3.13 0.00 0.14 -4.96 121.76 125.21 1b27 s ALA 4 Ca 0.05 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1b27 s ALA 4 Cb -0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1b27 s ALA 4 CO -0.02 0.45 -0.19 0.08 0.00 0.00 0.00 175.76 176.08 1b27 s VAL 5 N -0.59 1.53 -0.16 0.00 1.01 -1.26 -0.37 120.40 120.56 1b27 s VAL 5 Ca 0.15 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1b27 s VAL 5 Cb -0.13 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1b27 s VAL 5 CO 0.04 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 1b27 s ILE 6 N -0.26 1.27 -0.86 2.22 1.01 -0.23 -4.93 121.20 119.42 1b27 s ILE 6 Ca 0.03 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 1b27 s ILE 6 Cb -0.09 -1.36 0.09 0.00 0.01 0.00 0.00 42.46 41.11 1b27 s ILE 6 CO 0.01 0.22 1.15 0.20 0.00 0.00 0.00 174.94 176.52 1b27 s ASN 7 N 1.58 6.45 0.36 3.58 -0.87 -1.26 -1.30 114.94 123.47 1b27 s ASN 7 Ca 0.02 -1.54 0.16 0.00 -1.57 0.00 0.00 52.86 49.93 1b27 s ASN 7 Cb -0.15 -2.45 1.11 0.00 -0.02 0.00 0.00 41.25 39.75 1b27 s ASN 7 CO -0.08 -1.30 1.68 1.23 -2.57 0.00 0.00 177.10 176.05 1b27 h GLY 8 N 11.30 1.85 2.00 0.66 0.00 -0.89 -0.28 103.07 117.70 1b27 h GLY 8 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1b27 h GLY 8 CO 1.20 -0.41 -0.08 1.05 0.00 0.00 0.00 176.54 178.31 1b27 h GLU 9 N 0.33 0.00 0.00 4.80 9.09 -1.77 -1.64 114.58 125.40 1b27 h GLU 9 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.13 1b27 h GLU 9 Cb 1.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.82 1b27 h GLU 9 CO -0.53 0.08 -0.15 1.04 0.05 0.00 0.00 179.01 179.50 1b27 n GLN 10 N -3.42 0.15 -2.59 1.06 1.13 -0.12 -4.83 117.38 108.76 1b27 n GLN 10 Ca -0.01 0.10 -0.43 0.00 -1.94 0.00 0.00 57.00 54.72 1b27 n GLN 10 Cb 0.23 -1.65 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 1b27 n GLN 10 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b27 s ILE 11 N -3.07 4.48 -0.89 5.09 -1.09 -0.62 -4.90 121.20 120.20 1b27 s ILE 11 Ca 0.11 1.74 0.08 0.00 -2.23 0.00 0.00 60.65 60.35 1b27 s ILE 11 Cb 0.15 -4.30 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1b27 s ILE 11 CO 0.61 -0.35 0.69 0.54 -1.23 0.00 0.00 174.94 175.19 1b27 n ARG 12 N 6.74 0.71 -3.66 2.79 5.12 -1.26 -4.73 116.66 122.37 1b27 n ARG 12 Ca 0.13 -0.84 -0.05 0.00 -1.93 0.00 0.00 57.85 55.16 1b27 n ARG 12 Cb 0.46 -1.11 -0.02 0.00 -1.16 0.00 0.00 32.46 30.64 1b27 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1b27 s SER 13 N -0.79 -0.24 0.33 0.55 1.04 -1.11 -4.79 113.70 108.69 1b27 s SER 13 Ca 0.08 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1b27 s SER 13 Cb 0.06 0.44 0.57 0.00 0.10 0.00 0.00 66.02 67.19 1b27 s SER 13 CO 0.12 -0.78 1.87 -0.29 0.98 0.00 0.00 173.24 175.14 1b27 h ILE 14 N 2.00 1.20 -0.64 -1.02 6.09 -1.87 -1.19 117.51 122.08 1b27 h ILE 14 Ca -0.24 -0.79 0.02 0.00 -1.37 0.00 0.00 64.86 62.48 1b27 h ILE 14 Cb 1.23 0.91 -0.04 0.00 0.47 0.00 0.00 36.82 39.40 1b27 h ILE 14 CO 0.27 0.28 0.41 -1.28 -3.07 0.00 0.00 178.15 174.76 1b27 h SER 15 N 0.54 0.70 -0.80 2.19 0.87 -1.95 -0.32 113.55 114.78 1b27 h SER 15 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1b27 h SER 15 Cb 0.33 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1b27 h SER 15 CO 0.01 0.50 0.42 0.44 -0.53 0.00 0.00 176.83 177.66 1b27 h ASP 16 N 0.83 1.03 -0.24 6.23 5.19 -1.62 -0.76 116.42 127.08 1b27 h ASP 16 Ca 0.25 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1b27 h ASP 16 Cb -0.05 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 1b27 h ASP 16 CO -0.07 0.85 0.12 0.25 -3.12 0.00 0.00 179.24 177.27 1b27 h LEU 17 N 1.13 0.31 -0.46 1.55 5.85 -0.94 0.11 115.31 122.86 1b27 h LEU 17 Ca 0.28 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1b27 h LEU 17 Cb 0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1b27 h LEU 17 CO -0.04 0.32 0.04 0.45 -0.34 0.00 0.00 178.44 178.88 1b27 h HIS 18 N 0.27 0.84 -0.86 1.25 3.86 -0.76 -1.97 115.15 117.78 1b27 h HIS 18 Ca 0.08 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1b27 h HIS 18 Cb 0.09 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1b27 h HIS 18 CO -0.03 0.80 0.53 1.96 0.86 0.00 0.00 177.93 182.05 1b27 h GLN 19 N 0.64 1.16 -0.28 2.45 4.20 -1.06 -0.03 115.11 122.20 1b27 h GLN 19 Ca 0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1b27 h GLN 19 Cb 0.43 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1b27 h GLN 19 CO 0.02 0.81 0.06 1.15 -0.67 0.00 0.00 178.83 180.19 1b27 h THR 20 N 1.19 1.22 -0.38 -0.54 2.02 -0.56 -2.83 112.91 113.03 1b27 h THR 20 Ca 0.31 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1b27 h THR 20 Cb -0.06 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1b27 h THR 20 CO -0.06 0.24 0.00 -0.07 0.37 0.00 0.00 175.52 176.00 1b27 h LEU 21 N 0.28 0.56 -0.66 2.58 3.38 -0.65 -1.79 115.31 119.02 1b27 h LEU 21 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1b27 h LEU 21 Cb 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1b27 h LEU 21 CO 0.00 0.63 0.34 0.50 0.09 0.00 0.00 178.44 180.01 1b27 h LYS 22 N 0.57 0.93 0.21 1.13 3.64 -0.79 -1.09 116.57 121.17 1b27 h LYS 22 Ca 0.12 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1b27 h LYS 22 Cb 0.36 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1b27 h LYS 22 CO 0.01 0.72 -0.10 0.87 -2.27 0.00 0.00 179.45 178.68 1b27 h LYS 23 N 0.91 -0.27 -0.81 1.90 6.56 -1.39 -0.88 116.57 122.58 1b27 h LYS 23 Ca 0.23 0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.93 1b27 h LYS 23 Cb 0.08 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 31.74 1b27 h LYS 23 CO -0.03 0.11 0.53 0.93 -2.06 0.00 0.00 179.45 178.92 1b27 h GLU 24 N -0.74 0.74 -0.22 3.15 4.39 -1.26 -2.20 114.58 118.44 1b27 h GLU 24 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1b27 h GLU 24 Cb 0.50 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1b27 h GLU 24 CO 0.05 0.49 0.00 1.28 -1.16 0.00 0.00 179.01 179.67 1b27 n LEU 25 N -4.51 3.18 -3.63 1.33 4.77 -0.42 -4.53 117.00 113.19 1b27 n LEU 25 Ca 0.14 -1.27 -0.23 0.00 -0.03 0.00 0.00 56.01 54.61 1b27 n LEU 25 Cb 0.32 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1b27 n LEU 25 CO 0.32 0.62 -0.06 0.00 -1.33 0.00 0.00 177.39 176.94 1b27 n ALA 26 N 1.37 -2.24 -1.76 -1.18 0.00 -0.83 -4.84 120.51 111.03 1b27 n ALA 26 Ca 0.16 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1b27 n ALA 26 Cb 0.58 -3.17 0.03 0.00 0.00 0.00 0.00 19.45 16.90 1b27 n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b27 s LEU 27 N -6.42 3.10 0.83 0.00 1.43 -0.38 -4.96 118.68 112.28 1b27 s LEU 27 Ca 0.21 1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 1b27 s LEU 27 Cb -0.06 -4.35 0.07 0.00 0.03 0.00 0.00 46.19 41.88 1b27 s LEU 27 CO 0.82 -1.21 0.98 -2.65 0.23 0.00 0.00 176.35 174.52 1b27 n PRO 28 N -2.96 0.05 0.11 1.29 -0.02 -1.26 -4.90 135.00 127.31 1b27 n PRO 28 Ca 0.07 0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1b27 n PRO 28 Cb 0.55 -2.26 0.34 0.00 -0.02 0.00 0.00 33.50 32.10 1b27 n PRO 28 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1b27 h GLU 29 N -1.04 0.25 0.00 -0.52 9.09 -1.98 -1.69 114.58 118.69 1b27 h GLU 29 Ca -0.45 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 58.88 1b27 h GLU 29 Cb 1.30 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1b27 h GLU 29 CO 0.43 0.45 0.00 2.48 0.05 0.00 0.00 179.01 182.42 1b27 n TYR 30 N -4.20 0.00 -0.79 2.06 0.18 -1.26 -4.93 117.16 108.22 1b27 n TYR 30 Ca -0.01 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.44 1b27 n TYR 30 Cb 0.33 -0.41 -0.06 0.00 -0.38 0.00 0.00 39.34 38.82 1b27 n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1b27 n TYR 31 N -1.41 0.77 0.66 -3.48 9.36 -0.64 -4.80 117.16 117.62 1b27 n TYR 31 Ca 0.09 0.51 0.07 0.00 3.32 0.00 0.00 57.90 61.89 1b27 n TYR 31 Cb 0.27 -1.17 0.36 0.00 -0.63 0.00 0.00 39.34 38.17 1b27 n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b27 n GLY 32 N 2.90 -0.83 3.77 2.98 0.00 -1.26 -4.93 105.19 107.82 1b27 n GLY 32 Ca 0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1b27 n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b27 n GLU 33 N -1.34 -3.54 -4.00 1.61 1.02 -1.26 -4.98 120.64 108.15 1b27 n GLU 33 Ca 0.06 0.52 -0.10 0.00 -0.02 0.00 0.00 57.16 57.63 1b27 n GLU 33 Cb 0.13 -4.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.73 1b27 n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b27 s ASN 34 N -4.17 -0.05 0.30 1.62 2.20 -1.26 -4.99 114.94 108.59 1b27 s ASN 34 Ca 0.11 -0.94 0.00 0.00 -0.94 0.00 0.00 52.86 51.08 1b27 s ASN 34 Cb -0.03 0.54 0.47 0.00 -2.00 0.00 0.00 41.25 40.22 1b27 s ASN 34 CO 0.85 -1.06 1.88 -0.07 -2.94 0.00 0.00 177.10 175.75 1b27 h LEU 35 N 2.34 0.74 -0.25 3.54 3.38 -1.99 -0.89 115.31 122.18 1b27 h LEU 35 Ca -0.28 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 1b27 h LEU 35 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1b27 h LEU 35 CO 0.40 0.69 -0.17 0.44 0.09 0.00 0.00 178.44 179.88 1b27 h ASP 36 N 0.80 0.58 -0.74 -0.43 3.32 -1.99 -1.55 116.42 116.42 1b27 h ASP 36 Ca 0.19 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1b27 h ASP 36 Cb 0.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1b27 h ASP 36 CO -0.01 0.90 0.48 0.00 -1.72 0.00 0.00 179.24 178.89 1b27 h ALA 37 N 0.70 0.94 0.02 3.45 0.00 -1.90 -1.89 119.26 120.57 1b27 h ALA 37 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b27 h ALA 37 Cb 0.70 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1b27 h ALA 37 CO 0.05 0.33 -0.02 1.25 0.00 0.00 0.00 179.25 180.86 1b27 h LEU 38 N 0.98 -0.04 -0.63 0.00 5.85 -0.88 -0.08 115.31 120.51 1b27 h LEU 38 Ca 0.28 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1b27 h LEU 38 Cb -0.09 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1b27 h LEU 38 CO -0.07 -0.03 0.34 -0.25 -0.34 0.00 0.00 178.44 178.09 1b27 h TRP 39 N -0.04 0.61 0.00 1.25 2.91 -1.20 -1.62 115.95 117.87 1b27 h TRP 39 Ca 0.00 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.06 1b27 h TRP 39 Cb 0.03 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1b27 h TRP 39 CO -0.09 0.29 -0.07 0.22 -1.03 0.00 0.00 178.44 177.76 1b27 h ASP 40 N 0.62 -0.20 -0.34 2.65 3.58 -0.79 -0.87 116.42 121.08 1b27 h ASP 40 Ca 0.28 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.81 1b27 h ASP 40 Cb 0.19 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1b27 h ASP 40 CO -0.18 -0.10 0.06 0.00 -2.88 0.00 0.00 179.24 176.14 1b27 h ALA 41 N 0.87 0.36 -0.48 -0.78 0.00 -0.83 0.72 119.26 119.11 1b27 h ALA 41 Ca 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1b27 h ALA 41 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1b27 h ALA 41 CO -0.07 -0.34 0.15 -0.07 0.00 0.00 0.00 179.25 178.92 1b27 h LEU 42 N 0.18 0.71 -0.97 0.00 3.38 -0.97 0.68 115.31 118.31 1b27 h LEU 42 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1b27 h LEU 42 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1b27 h LEU 42 CO -0.22 0.72 -0.15 0.35 0.09 0.00 0.00 178.44 179.24 1b27 n THR 43 N -4.52 0.00 -2.11 0.22 -2.24 -0.36 -4.40 114.28 100.88 1b27 n THR 43 Ca 0.01 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.49 1b27 n THR 43 Cb 0.19 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 1b27 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b27 n GLY 44 N 1.29 0.63 2.12 3.38 0.00 0.22 -5.02 105.19 107.82 1b27 n GLY 44 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1b27 n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b27 n TRP 45 N 0.04 -3.72 -0.81 1.61 -0.00 -0.52 -4.86 117.44 109.19 1b27 n TRP 45 Ca -0.22 1.07 -0.30 0.00 -0.00 0.00 0.00 57.50 58.05 1b27 n TRP 45 Cb 0.78 2.40 0.17 0.00 -0.00 0.00 0.00 31.31 34.66 1b27 n TRP 45 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1b27 s VAL 46 N -2.00 2.32 0.29 5.87 -7.23 0.12 -5.02 120.40 114.73 1b27 s VAL 46 Ca 0.00 0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1b27 s VAL 46 Cb 0.00 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1b27 s VAL 46 CO 0.00 -0.13 0.53 -1.83 -0.31 0.00 0.00 175.10 173.35 1b27 s GLU 47 N -4.69 3.58 0.13 4.82 -1.05 -1.26 -4.99 118.70 115.25 1b27 s GLU 47 Ca 0.66 -0.12 0.06 0.00 -0.15 0.00 0.00 54.97 55.43 1b27 s GLU 47 Cb -0.22 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.75 1b27 s GLU 47 CO 0.59 0.23 -0.15 0.71 0.95 0.00 0.00 175.26 177.58 1b27 s TYR 48 N -2.10 1.49 0.62 4.83 2.02 -1.26 -4.27 117.35 118.67 1b27 s TYR 48 Ca 0.42 -0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 56.41 1b27 s TYR 48 Cb -0.11 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1b27 s TYR 48 CO 0.31 0.18 1.16 -1.25 -1.57 0.00 0.00 175.55 174.39 1b27 s PRO 49 N -2.72 2.91 0.01 -1.71 0.04 -1.26 -5.02 135.00 127.25 1b27 s PRO 49 Ca 0.10 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.89 1b27 s PRO 49 Cb -0.05 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1b27 s PRO 49 CO 0.04 -1.22 -0.25 -1.17 0.04 0.00 0.00 177.00 174.45 1b27 s LEU 50 N -4.34 2.09 -0.17 -3.56 0.20 0.66 -3.72 118.68 109.83 1b27 s LEU 50 Ca 0.73 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 55.07 1b27 s LEU 50 Cb -0.26 -1.24 0.02 0.00 -0.43 0.00 0.00 46.19 44.28 1b27 s LEU 50 CO 0.35 0.27 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.82 1b27 s VAL 51 N -0.66 1.88 -0.27 1.68 1.01 -1.08 -1.13 120.40 121.83 1b27 s VAL 51 Ca 0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1b27 s VAL 51 Cb -0.09 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1b27 s VAL 51 CO 0.00 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.39 1b27 s LEU 52 N 1.36 3.46 -0.31 3.92 2.96 0.49 -0.69 118.68 129.88 1b27 s LEU 52 Ca 0.04 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1b27 s LEU 52 Cb -0.13 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1b27 s LEU 52 CO -0.12 -0.13 0.06 -0.70 -1.32 0.00 0.00 176.35 174.15 1b27 s GLU 53 N 1.46 2.77 -0.41 1.98 2.12 0.51 -1.08 118.70 126.04 1b27 s GLU 53 Ca 0.03 -1.06 -0.07 0.00 0.36 0.00 0.00 54.97 54.22 1b27 s GLU 53 Cb -0.16 -3.34 0.09 0.00 0.26 0.00 0.00 34.13 30.97 1b27 s GLU 53 CO -0.00 -0.56 0.23 -0.46 -0.54 0.00 0.00 175.26 173.93 1b27 s TRP 54 N 1.41 3.39 0.23 5.30 -0.11 -0.41 -1.06 118.94 127.69 1b27 s TRP 54 Ca -0.01 -1.79 -0.10 0.00 1.22 0.00 0.00 56.10 55.43 1b27 s TRP 54 Cb -0.18 -3.00 -0.07 0.00 -1.50 0.00 0.00 33.47 28.72 1b27 s TRP 54 CO 0.01 -0.89 0.55 1.03 -4.62 0.00 0.00 176.95 173.04 1b27 s ARG 55 N 1.34 3.80 -1.36 5.86 0.52 -0.42 -2.13 118.95 126.57 1b27 s ARG 55 Ca 0.04 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.48 1b27 s ARG 55 Cb -0.23 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.61 1b27 s ARG 55 CO 0.00 0.32 0.82 1.04 0.02 0.00 0.00 175.30 177.50 1b27 n GLN 56 N -0.12 -5.33 -0.08 3.54 1.13 -1.26 -0.34 117.38 114.91 1b27 n GLN 56 Ca 0.00 0.64 -0.10 0.00 -1.94 0.00 0.00 57.00 55.60 1b27 n GLN 56 Cb 0.52 -5.34 -0.04 0.00 0.11 0.00 0.00 30.24 25.50 1b27 n GLN 56 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1b27 h PHE 57 N -1.97 -1.12 -0.78 1.08 3.57 -1.94 -2.17 116.94 113.61 1b27 h PHE 57 Ca -0.60 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.09 1b27 h PHE 57 Cb 1.36 0.54 -0.09 0.00 2.79 0.00 0.00 35.95 40.55 1b27 h PHE 57 CO 0.49 -0.43 0.36 1.49 -2.23 0.00 0.00 178.31 177.99 1b27 h GLU 58 N -0.36 0.53 -0.74 1.11 4.57 -1.97 0.45 114.58 118.17 1b27 h GLU 58 Ca 0.12 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1b27 h GLU 58 Cb 0.58 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1b27 h GLU 58 CO -0.50 0.35 0.48 1.96 -1.18 0.00 0.00 179.01 180.12 1b27 h GLN 59 N 0.54 0.93 0.00 1.92 7.50 -1.72 -1.21 115.11 123.08 1b27 h GLN 59 Ca 0.42 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.51 1b27 h GLN 59 Cb 0.59 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1b27 h GLN 59 CO -0.36 0.62 0.00 0.66 -1.50 0.00 0.00 178.83 178.25 1b27 h SER 60 N 0.96 0.00 -0.09 1.46 4.64 -0.62 -2.95 113.55 116.94 1b27 h SER 60 Ca 0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1b27 h SER 60 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1b27 h SER 60 CO -0.08 0.00 -0.07 0.50 -0.87 0.00 0.00 176.83 176.31 1b27 h LYS 61 N 0.00 0.21 -0.78 4.77 3.64 -0.01 -3.26 116.57 121.14 1b27 h LYS 61 Ca 0.00 -0.10 0.17 0.00 -1.27 0.00 0.00 60.65 59.45 1b27 h LYS 61 Cb 0.63 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.34 1b27 h LYS 61 CO 0.00 0.60 0.22 0.37 -2.27 0.00 0.00 179.45 178.37 1b27 h GLN 62 N -0.18 0.29 -0.97 1.90 4.15 -1.18 -2.22 115.11 116.90 1b27 h GLN 62 Ca 0.02 -0.02 -0.64 0.00 0.77 0.00 0.00 58.65 58.78 1b27 h GLN 62 Cb 0.55 -0.07 -0.34 0.00 0.21 0.00 0.00 27.48 27.83 1b27 h GLN 62 CO 0.02 0.19 0.26 1.28 -1.93 0.00 0.00 178.83 178.65 1b27 n LEU 63 N -5.13 6.67 0.00 -2.39 4.77 -1.21 -4.41 117.00 115.29 1b27 n LEU 63 Ca 0.16 -4.50 0.00 0.00 -0.03 0.00 0.00 56.01 51.64 1b27 n LEU 63 Cb 0.51 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1b27 n LEU 63 CO 0.12 1.73 0.00 0.41 -1.33 0.00 0.00 177.39 178.32 1b27 n THR 64 N -0.82 0.00 0.00 -5.08 -1.04 -0.86 -2.74 114.28 103.74 1b27 n THR 64 Ca 0.55 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1b27 n THR 64 Cb 0.75 0.38 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 1b27 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1b27 n GLU 65 N 0.00 0.00 -0.11 -2.82 4.71 -1.09 -1.19 120.64 120.13 1b27 n GLU 65 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 1b27 n GLU 65 Cb 0.15 0.00 0.31 0.00 -1.01 0.00 0.00 31.44 30.89 1b27 n GLU 65 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1b27 n ASN 66 N 10.26 2.33 0.09 1.62 2.04 -1.26 -4.62 115.26 125.72 1b27 n ASN 66 Ca 0.00 -1.82 -0.13 0.00 -0.44 0.00 0.00 54.58 52.20 1b27 n ASN 66 Cb 0.00 -0.14 -0.07 0.00 -2.53 0.00 0.00 39.78 37.04 1b27 n ASN 66 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1b27 h GLY 67 N 4.84 -0.15 0.79 4.83 0.00 -1.49 -2.87 103.07 109.03 1b27 h GLY 67 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1b27 h GLY 67 CO 0.00 -0.06 0.38 0.00 0.00 0.00 0.00 176.54 176.86 1b27 h ALA 68 N 0.76 0.84 0.10 3.60 0.00 -1.82 -1.41 119.26 121.33 1b27 h ALA 68 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b27 h ALA 68 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b27 h ALA 68 CO 0.00 0.10 -0.05 1.49 0.00 0.00 0.00 179.25 180.79 1b27 h GLU 69 N 0.73 -0.13 -0.94 0.00 4.57 -1.88 -1.11 114.58 115.82 1b27 h GLU 69 Ca 0.27 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.52 1b27 h GLU 69 Cb 0.09 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 1b27 h GLU 69 CO -0.14 0.06 0.60 0.77 -1.18 0.00 0.00 179.01 179.12 1b27 h SER 70 N -0.30 0.96 0.11 1.04 0.02 -1.38 0.54 113.55 114.54 1b27 h SER 70 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1b27 h SER 70 Cb 0.25 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1b27 h SER 70 CO 0.02 0.62 -0.05 0.58 -1.14 0.00 0.00 176.83 176.86 1b27 h VAL 71 N 1.10 1.03 -0.42 2.27 2.07 -1.19 0.01 116.25 121.13 1b27 h VAL 71 Ca 0.40 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1b27 h VAL 71 Cb 0.14 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1b27 h VAL 71 CO -0.16 0.13 -0.12 0.25 0.02 0.00 0.00 177.57 177.69 1b27 h LEU 72 N -0.40 -0.43 -1.73 2.57 5.85 -0.81 0.12 115.31 120.47 1b27 h LEU 72 Ca -0.01 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1b27 h LEU 72 Cb 0.33 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1b27 h LEU 72 CO 0.02 -0.15 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.20 1b27 h GLN 73 N -0.02 0.00 -0.64 1.25 5.75 0.31 -1.53 115.11 120.23 1b27 h GLN 73 Ca 0.20 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1b27 h GLN 73 Cb 0.33 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1b27 h GLN 73 CO -0.44 0.16 0.13 0.28 -2.65 0.00 0.00 178.83 176.31 1b27 h VAL 74 N 0.00 1.25 -0.54 2.39 2.07 0.12 -1.94 116.25 119.60 1b27 h VAL 74 Ca -0.00 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1b27 h VAL 74 Cb 0.41 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1b27 h VAL 74 CO 0.02 0.36 0.20 -0.26 0.02 0.00 0.00 177.57 177.91 1b27 h PHE 75 N 0.97 0.85 -0.14 1.57 -1.00 -0.88 -1.89 116.94 116.42 1b27 h PHE 75 Ca 0.20 -0.07 -0.11 0.00 2.81 0.00 0.00 57.97 60.80 1b27 h PHE 75 Cb 0.38 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1b27 h PHE 75 CO 0.03 0.70 -0.38 0.00 -1.61 0.00 0.00 178.31 177.05 1b27 h ARG 76 N 0.74 0.31 -0.12 1.51 3.08 -1.24 -1.44 114.38 117.22 1b27 h ARG 76 Ca 0.18 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1b27 h ARG 76 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1b27 h ARG 76 CO -0.01 0.65 -0.04 0.93 -1.07 0.00 0.00 179.97 180.43 1b27 h GLU 77 N 0.26 0.24 -0.96 0.04 5.08 -1.09 0.14 114.58 118.29 1b27 h GLU 77 Ca 0.03 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1b27 h GLU 77 Cb 0.79 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1b27 h GLU 77 CO 0.06 0.55 0.63 0.00 -1.00 0.00 0.00 179.01 179.25 1b27 h ALA 78 N 0.68 1.38 -0.25 3.43 0.00 -1.22 -2.00 119.26 121.28 1b27 h ALA 78 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1b27 h ALA 78 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1b27 h ALA 78 CO 0.01 0.53 0.10 -0.22 0.00 0.00 0.00 179.25 179.68 1b27 h LYS 79 N 1.22 0.37 -0.68 0.00 3.64 -1.05 -2.65 116.57 117.40 1b27 h LYS 79 Ca 0.38 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 1b27 h LYS 79 Cb -0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1b27 h LYS 79 CO -0.11 0.41 0.45 0.00 -2.27 0.00 0.00 179.45 177.93 1b27 h ALA 80 N 0.94 1.88 0.00 5.00 0.00 -0.04 -1.10 119.26 125.94 1b27 h ALA 80 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b27 h ALA 80 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b27 h ALA 80 CO -0.01 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1b27 n GLU 81 N -4.48 0.05 0.00 0.00 1.02 -0.84 -4.90 120.64 111.49 1b27 n GLU 81 Ca 0.11 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1b27 n GLU 81 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1b27 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b27 n GLY 82 N 0.95 1.53 3.68 0.62 0.00 -0.42 -5.10 105.19 106.45 1b27 n GLY 82 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1b27 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b27 n ALA 83 N 0.00 1.18 -2.60 4.61 0.00 -1.03 -4.86 120.51 117.81 1b27 n ALA 83 Ca 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1b27 n ALA 83 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 1b27 n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b27 s ASP 84 N 0.12 6.62 -0.02 0.00 -1.08 -1.26 -4.50 116.67 116.56 1b27 s ASP 84 Ca 0.64 -1.82 0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1b27 s ASP 84 Cb -0.62 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 38.28 1b27 s ASP 84 CO 0.53 -1.36 -0.11 -0.51 0.52 0.00 0.00 175.17 174.24 1b27 s ILE 85 N 4.50 0.91 -0.16 4.11 2.07 -1.25 -0.25 121.20 131.14 1b27 s ILE 85 Ca 0.47 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1b27 s ILE 85 Cb 0.01 -0.78 -0.01 0.00 0.13 0.00 0.00 42.46 41.81 1b27 s ILE 85 CO -0.05 0.27 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.23 1b27 s THR 86 N -0.09 2.86 -0.15 4.00 2.01 -0.29 -4.99 115.64 118.99 1b27 s THR 86 Ca 0.01 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1b27 s THR 86 Cb -0.06 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1b27 s THR 86 CO 0.00 0.50 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.71 1b27 s ILE 87 N 0.81 3.29 -0.23 1.82 1.01 -1.26 -0.38 121.20 126.27 1b27 s ILE 87 Ca -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1b27 s ILE 87 Cb -0.15 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1b27 s ILE 87 CO 0.00 0.50 -0.13 -0.63 0.00 0.00 0.00 174.94 174.69 1b27 s ILE 88 N 0.54 2.29 -0.50 2.92 1.01 -0.24 -4.97 121.20 122.25 1b27 s ILE 88 Ca -0.06 -1.27 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 1b27 s ILE 88 Cb -0.15 -2.18 0.10 0.00 0.01 0.00 0.00 42.46 40.24 1b27 s ILE 88 CO 0.03 0.21 0.43 -0.76 0.00 0.00 0.00 174.94 174.85 1b27 s LEU 89 N 1.21 5.85 0.00 2.97 1.43 -1.26 -1.29 118.68 127.60 1b27 s LEU 89 Ca -0.02 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1b27 s LEU 89 Cb -0.17 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1b27 s LEU 89 CO -0.08 -0.74 0.22 -1.54 0.23 0.00 0.00 176.35 174.45