#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fj6 n LYS 2 N 0.00 0.08 0.00 0.03 0.00 -1.26 -5.05 118.16 111.96 2fj6 n LYS 2 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2fj6 n LYS 2 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.51 2fj6 n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2fj6 n SER 3 N -1.62 0.00 -0.29 -5.58 7.64 -1.26 -4.42 113.62 108.08 2fj6 n SER 3 Ca 0.04 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.00 2fj6 n SER 3 Cb 0.36 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.87 2fj6 n SER 3 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2fj6 h PHE 4 N 0.00 0.95 -0.22 1.43 3.04 -1.91 -0.23 116.94 120.00 2fj6 h PHE 4 Ca 0.00 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 2fj6 h PHE 4 Cb 0.00 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2fj6 h PHE 4 CO 0.00 0.41 -0.30 -0.92 -2.02 0.00 0.00 178.31 175.48 2fj6 h TYR 5 N 0.85 0.50 -0.30 0.41 3.20 -1.89 -2.10 116.97 117.64 2fj6 h TYR 5 Ca 0.43 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2fj6 h TYR 5 Cb 0.49 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2fj6 h TYR 5 CO -0.00 0.69 -0.06 0.45 -1.64 0.00 0.00 178.16 177.60 2fj6 h HIS 6 N 0.38 0.64 -0.15 -3.82 3.86 -1.28 0.43 115.15 115.22 2fj6 h HIS 6 Ca 0.05 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2fj6 h HIS 6 Cb 0.72 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2fj6 h HIS 6 CO 0.02 0.75 -0.00 -0.92 0.86 0.00 0.00 177.93 178.64 2fj6 h TYR 7 N 0.34 -0.02 -0.07 2.45 3.20 -1.27 0.22 116.97 121.82 2fj6 h TYR 7 Ca 0.08 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2fj6 h TYR 7 Cb 0.54 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2fj6 h TYR 7 CO 0.05 -0.02 0.07 1.25 -1.64 0.00 0.00 178.16 177.86 2fj6 h LEU 8 N 0.04 0.00 -2.56 2.82 5.85 -1.15 -1.08 115.31 119.24 2fj6 h LEU 8 Ca 0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2fj6 h LEU 8 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2fj6 h LEU 8 CO -0.12 0.00 0.08 -0.07 -0.34 0.00 0.00 178.44 177.99 2fj6 h LEU 9 N 0.00 0.00 -1.52 2.25 3.38 0.33 0.16 115.31 119.91 2fj6 h LEU 9 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2fj6 h LEU 9 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2fj6 h LEU 9 CO -0.00 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.03 2fj6 h LYS 10 N 0.00 0.00 -2.08 1.13 3.64 -1.15 -2.61 116.57 115.49 2fj6 h LYS 10 Ca 0.02 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.64 2fj6 h LYS 10 Cb 0.19 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.75 2fj6 h LYS 10 CO -0.00 0.00 1.05 0.66 -2.27 0.00 0.00 179.45 178.89 2fj6 n TYR 11 N -2.62 2.81 -0.25 1.91 4.01 0.57 -4.91 117.16 118.68 2fj6 n TYR 11 Ca -0.00 -2.37 -0.05 0.00 -0.16 0.00 0.00 57.90 55.32 2fj6 n TYR 11 Cb 0.17 -1.23 -0.01 0.00 -0.31 0.00 0.00 39.34 37.96 2fj6 n TYR 11 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2fj6 n ARG 12 N -0.24 0.00 -3.27 -0.72 1.74 -0.99 -4.32 116.66 108.86 2fj6 n ARG 12 Ca 0.52 -0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 2fj6 n ARG 12 Cb 0.26 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2fj6 n ARG 12 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2fj6 n HIS 13 N 4.60 -0.53 0.00 -1.55 1.44 -1.26 -4.86 115.22 113.06 2fj6 n HIS 13 Ca 0.05 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 2fj6 n HIS 13 Cb 0.06 -1.16 0.00 0.00 0.12 0.00 0.00 29.99 29.00 2fj6 n HIS 13 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2fj6 n PRO 14 N -2.50 0.00 -3.66 -1.40 -0.04 -1.26 -4.84 135.00 121.30 2fj6 n PRO 14 Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 2fj6 n PRO 14 Cb 0.29 -0.01 -0.09 0.00 -0.04 0.00 0.00 33.50 33.65 2fj6 n PRO 14 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2fj6 s LYS 15 N 0.00 2.54 0.04 0.54 -2.85 -1.26 -5.07 119.74 113.68 2fj6 s LYS 15 Ca 0.00 -2.26 -0.30 0.00 -1.00 0.00 0.00 55.97 52.41 2fj6 s LYS 15 Cb 0.00 -3.81 -0.07 0.00 -2.06 0.00 0.00 37.83 31.90 2fj6 s LYS 15 CO 0.00 -1.17 1.46 -1.25 0.10 0.00 0.00 175.35 174.49 2fj6 s PRO 16 N 0.43 4.27 0.00 1.78 0.04 -1.26 -4.76 135.00 135.50 2fj6 s PRO 16 Ca 0.13 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2fj6 s PRO 16 Cb -0.21 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2fj6 s PRO 16 CO -0.04 -0.59 0.00 0.36 0.04 0.00 0.00 177.00 176.77 2fj6 n LYS 17 N 5.18 0.00 -2.53 4.56 2.85 -1.26 -4.91 118.16 122.05 2fj6 n LYS 17 Ca 0.13 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.08 2fj6 n LYS 17 Cb 0.43 -0.01 -0.03 0.00 -0.65 0.00 0.00 35.03 34.77 2fj6 n LYS 17 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2fj6 s ASP 18 N -3.16 6.57 0.22 -5.58 2.15 -1.26 -4.84 116.67 110.76 2fj6 s ASP 18 Ca 0.00 1.41 -0.08 0.00 0.43 0.00 0.00 52.55 54.31 2fj6 s ASP 18 Cb 0.00 -2.44 0.33 0.00 -0.30 0.00 0.00 42.92 40.51 2fj6 s ASP 18 CO 0.00 -0.53 1.75 0.77 -0.17 0.00 0.00 175.17 176.99 2fj6 h SER 19 N 0.97 0.30 -0.54 -0.34 4.64 -2.00 0.25 113.55 116.85 2fj6 h SER 19 Ca -0.47 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 2fj6 h SER 19 Cb 1.19 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2fj6 h SER 19 CO 0.62 0.16 0.09 -0.29 -0.87 0.00 0.00 176.83 176.55 2fj6 h ILE 20 N 0.47 1.25 -0.07 0.95 2.10 -1.93 -1.75 117.51 118.53 2fj6 h ILE 20 Ca 0.34 -0.94 -0.01 0.00 1.08 0.00 0.00 64.86 65.34 2fj6 h ILE 20 Cb 0.43 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2fj6 h ILE 20 CO -0.32 0.34 0.01 0.28 -1.08 0.00 0.00 178.15 177.39 2fj6 h SER 21 N 0.77 0.12 -0.79 2.19 0.02 -1.67 -2.17 113.55 112.02 2fj6 h SER 21 Ca 0.16 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2fj6 h SER 21 Cb 0.39 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2fj6 h SER 21 CO 0.01 0.33 0.52 -0.33 -1.14 0.00 0.00 176.83 176.22 2fj6 h GLU 22 N -0.11 0.92 -0.81 3.45 5.08 -0.50 -0.77 114.58 121.84 2fj6 h GLU 22 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2fj6 h GLU 22 Cb 0.26 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2fj6 h GLU 22 CO 0.00 0.61 0.48 0.35 -1.00 0.00 0.00 179.01 179.45 2fj6 h PHE 23 N 0.95 1.08 -0.35 4.33 3.57 -1.10 -2.50 116.94 122.91 2fj6 h PHE 23 Ca 0.32 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 2fj6 h PHE 23 Cb 0.07 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 2fj6 h PHE 23 CO -0.00 0.73 0.04 0.00 -2.23 0.00 0.00 178.31 176.85 2fj6 h ALA 24 N 1.26 0.35 -0.32 2.41 0.00 -0.49 0.18 119.26 122.64 2fj6 h ALA 24 Ca 0.29 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2fj6 h ALA 24 Cb -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2fj6 h ALA 24 CO -0.05 -0.36 0.07 -0.91 0.00 0.00 0.00 179.25 177.99 2fj6 h ASN 25 N 0.15 0.01 0.11 0.00 4.21 -1.14 0.48 115.58 119.41 2fj6 h ASN 25 Ca 0.17 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 2fj6 h ASN 25 Cb 0.21 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2fj6 h ASN 25 CO -0.24 0.04 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.28 2fj6 h GLN 26 N 0.18 -0.14 -0.69 0.81 4.15 -1.01 -2.72 115.11 115.68 2fj6 h GLN 26 Ca 0.15 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.67 2fj6 h GLN 26 Cb 0.16 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2fj6 h GLN 26 CO -0.20 -0.00 0.46 0.00 -1.93 0.00 0.00 178.83 177.16 2fj6 h ALA 27 N 0.62 1.84 0.00 3.38 0.00 -0.38 0.12 119.26 124.84 2fj6 h ALA 27 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2fj6 h ALA 27 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2fj6 h ALA 27 CO 0.03 0.03 -0.04 -0.92 0.00 0.00 0.00 179.25 178.34 2fj6 h TYR 28 N 0.61 0.00 -0.17 0.00 5.03 -0.59 -1.99 116.97 119.86 2fj6 h TYR 28 Ca 0.31 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.55 2fj6 h TYR 28 Cb 0.42 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 2fj6 h TYR 28 CO -0.00 0.04 0.09 0.39 -1.32 0.00 0.00 178.16 177.36 2fj6 n GLU 29 N -3.90 1.41 -3.08 1.82 1.02 0.41 -4.42 120.64 113.90 2fj6 n GLU 29 Ca -0.03 -0.60 -0.00 0.00 -0.02 0.00 0.00 57.16 56.51 2fj6 n GLU 29 Cb 0.13 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2fj6 n GLU 29 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2fj6 s ASP 30 N 0.33 -1.48 0.00 1.62 -4.77 -0.75 -5.00 116.67 106.61 2fj6 s ASP 30 Ca 0.11 -1.01 0.00 0.00 -3.30 0.00 0.00 52.55 48.35 2fj6 s ASP 30 Cb 0.09 1.91 0.00 0.00 -1.09 0.00 0.00 42.92 43.83 2fj6 s ASP 30 CO 0.02 -0.13 0.41 1.57 0.70 0.00 0.00 175.17 177.74 2fj6 n HIS 31 N 4.00 0.00 0.46 2.11 -0.00 -1.26 -2.58 115.22 117.95 2fj6 n HIS 31 Ca 0.13 -0.20 0.07 0.00 0.46 0.00 0.00 57.72 58.18 2fj6 n HIS 31 Cb 0.57 -0.16 -0.09 0.00 -0.12 0.00 0.00 29.99 30.20 2fj6 n HIS 31 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2fj6 n SER 32 N 0.75 0.97 -4.53 0.26 3.41 -1.26 -5.01 113.62 108.20 2fj6 n SER 32 Ca 0.00 -0.59 -0.45 0.00 -0.26 0.00 0.00 58.87 57.58 2fj6 n SER 32 Cb 0.21 1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 65.33 2fj6 n SER 32 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2fj6 n PHE 33 N -1.52 0.63 -0.54 7.33 7.35 -1.07 -4.74 117.46 124.91 2fj6 n PHE 33 Ca 0.01 0.73 -0.11 0.00 -0.76 0.00 0.00 57.45 57.33 2fj6 n PHE 33 Cb 0.26 -2.15 -0.05 0.00 0.35 0.00 0.00 39.48 37.89 2fj6 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2fj6 n PRO 34 N 0.72 1.28 0.26 -7.13 -0.04 -1.26 -4.52 135.00 124.30 2fj6 n PRO 34 Ca 0.12 -0.81 0.17 0.00 -0.04 0.00 0.00 63.50 62.94 2fj6 n PRO 34 Cb 0.32 -1.99 0.91 0.00 -0.04 0.00 0.00 33.50 32.70 2fj6 n PRO 34 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2fj6 h LYS 35 N 5.36 0.00 -0.93 0.54 2.10 -1.97 0.37 116.57 122.04 2fj6 h LYS 35 Ca 0.22 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.59 2fj6 h LYS 35 Cb 0.49 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.66 2fj6 h LYS 35 CO 0.77 0.00 0.35 -2.37 -2.00 0.00 0.00 179.45 176.20 2fj6 n THR 36 N -3.64 2.42 0.00 0.07 5.66 -1.26 -4.69 114.28 112.84 2fj6 n THR 36 Ca -0.00 -1.27 0.00 0.00 -3.05 0.00 0.00 64.05 59.72 2fj6 n THR 36 Cb 0.23 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 2fj6 n THR 36 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2fj6 n SER 37 N -0.40 0.00 -4.37 1.09 2.88 0.12 -5.13 113.62 107.81 2fj6 n SER 37 Ca 0.37 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.49 2fj6 n SER 37 Cb 1.24 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.60 2fj6 n SER 37 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2fj6 s THR 38 N 0.00 4.76 -0.09 2.46 -1.32 -1.26 -4.73 115.64 115.46 2fj6 s THR 38 Ca 0.00 -1.00 -0.05 0.00 -1.21 0.00 0.00 61.69 59.43 2fj6 s THR 38 Cb 0.00 -3.76 0.04 0.00 -1.51 0.00 0.00 72.50 67.27 2fj6 s THR 38 CO 0.00 -0.39 0.21 -0.62 -2.21 0.00 0.00 174.62 171.62 2fj6 s ASP 39 N 1.93 -0.22 0.23 8.08 2.15 -1.26 -4.94 116.67 122.65 2fj6 s ASP 39 Ca 0.03 0.45 -0.09 0.00 0.43 0.00 0.00 52.55 53.37 2fj6 s ASP 39 Cb -0.21 0.37 0.38 0.00 -0.30 0.00 0.00 42.92 43.16 2fj6 s ASP 39 CO 0.06 -0.13 1.64 0.22 -0.17 0.00 0.00 175.17 176.79 2fj6 h TYR 40 N 6.72 -0.09 -0.17 -5.34 3.20 -1.98 0.13 116.97 119.43 2fj6 h TYR 40 Ca -0.36 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 2fj6 h TYR 40 Cb 1.17 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 2fj6 h TYR 40 CO 0.39 -0.23 0.05 1.25 -1.64 0.00 0.00 178.16 177.98 2fj6 h HIS 41 N 0.09 0.28 0.02 -3.82 2.76 -1.98 0.21 115.15 112.71 2fj6 h HIS 41 Ca 0.38 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 2fj6 h HIS 41 Cb 0.65 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2fj6 h HIS 41 CO -0.43 0.37 -0.09 0.93 -1.30 0.00 0.00 177.93 177.41 2fj6 h GLU 42 N 0.10 -0.16 -0.51 5.26 5.08 -1.60 -1.30 114.58 121.45 2fj6 h GLU 42 Ca 0.06 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2fj6 h GLU 42 Cb 0.23 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2fj6 h GLU 42 CO -0.00 -0.11 -0.00 0.82 -1.00 0.00 0.00 179.01 178.72 2fj6 h ILE 43 N -0.17 1.26 -0.50 3.13 5.03 -0.79 -2.41 117.51 123.06 2fj6 h ILE 43 Ca 0.03 -1.09 0.10 0.00 -0.12 0.00 0.00 64.86 63.78 2fj6 h ILE 43 Cb 0.20 0.96 -0.08 0.00 -3.03 0.00 0.00 36.82 34.87 2fj6 h ILE 43 CO -0.08 0.38 -0.01 -1.28 -0.68 0.00 0.00 178.15 176.49 2fj6 h SER 44 N 0.77 -0.23 -0.55 1.72 0.87 -0.27 0.19 113.55 116.05 2fj6 h SER 44 Ca 0.14 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2fj6 h SER 44 Cb 0.53 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 2fj6 h SER 44 CO 0.03 -0.08 0.19 -1.28 -0.53 0.00 0.00 176.83 175.16 2fj6 h SER 45 N 0.11 0.83 -0.67 6.23 0.87 -1.09 -1.74 113.55 118.09 2fj6 h SER 45 Ca 0.26 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2fj6 h SER 45 Cb 0.39 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2fj6 h SER 45 CO -0.43 0.77 0.44 0.22 -0.53 0.00 0.00 176.83 177.31 2fj6 h TYR 46 N 0.87 0.76 -0.06 2.24 5.03 -0.49 0.53 116.97 125.85 2fj6 h TYR 46 Ca 0.20 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 2fj6 h TYR 46 Cb 0.24 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 38.27 2fj6 h TYR 46 CO 0.02 0.44 -0.35 -0.07 -1.32 0.00 0.00 178.16 176.88 2fj6 h LEU 47 N 0.79 0.41 -1.57 2.82 3.38 -0.67 -3.15 115.31 117.31 2fj6 h LEU 47 Ca 0.27 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2fj6 h LEU 47 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2fj6 h LEU 47 CO -0.08 1.01 -0.21 -0.33 0.09 0.00 0.00 178.44 178.92 2fj6 h GLU 48 N -0.17 0.00 0.00 1.13 4.39 -0.75 -1.55 114.58 117.63 2fj6 h GLU 48 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2fj6 h GLU 48 Cb 1.01 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2fj6 h GLU 48 CO 0.07 0.21 0.00 1.28 -1.16 0.00 0.00 179.01 179.42 2fj6 n LEU 49 N -4.29 0.34 -3.39 1.33 4.77 0.18 -4.32 117.00 111.63 2fj6 n LEU 49 Ca -0.02 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 2fj6 n LEU 49 Cb 0.27 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 2fj6 n LEU 49 CO 0.37 -0.56 -0.12 0.20 -1.33 0.00 0.00 177.39 175.95 2fj6 s ASN 50 N -3.64 0.91 0.61 -1.43 0.01 -0.58 -5.00 114.94 105.81 2fj6 s ASN 50 Ca 0.03 -0.25 0.30 0.00 -0.71 0.00 0.00 52.86 52.23 2fj6 s ASN 50 Cb 0.07 0.79 1.71 0.00 0.41 0.00 0.00 41.25 44.22 2fj6 s ASN 50 CO 0.24 -0.34 2.08 0.00 -1.51 0.00 0.00 177.10 177.57 2fj6 h ALA 51 N 8.23 1.71 0.00 0.60 0.00 -1.75 0.24 119.26 128.28 2fj6 h ALA 51 Ca -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2fj6 h ALA 51 Cb 1.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2fj6 h ALA 51 CO 0.29 -0.31 -0.05 -0.44 0.00 0.00 0.00 179.25 178.74 2fj6 h ASP 52 N 0.00 0.00 0.50 0.00 3.32 -1.95 -1.48 116.42 116.81 2fj6 h ASP 52 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2fj6 h ASP 52 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2fj6 h ASP 52 CO -0.00 0.05 -1.45 -1.22 -1.72 0.00 0.00 179.24 174.90 2fj6 n TYR 53 N -4.13 0.47 0.14 4.55 4.02 0.05 -4.11 117.16 118.16 2fj6 n TYR 53 Ca -0.03 0.14 0.19 0.00 -0.01 0.00 0.00 57.90 58.19 2fj6 n TYR 53 Cb 0.13 -0.70 0.71 0.00 -0.02 0.00 0.00 39.34 39.46 2fj6 n TYR 53 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2fj6 h LEU 54 N 0.00 0.00 -1.36 7.72 5.85 -1.07 -0.32 115.31 126.13 2fj6 h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2fj6 h LEU 54 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2fj6 h LEU 54 CO 0.00 0.00 0.00 1.57 -0.34 0.00 0.00 178.44 179.67 2fj6 n HIS 55 N -3.38 0.00 -1.42 1.25 -0.00 -1.25 -1.96 115.22 108.46 2fj6 n HIS 55 Ca 0.06 -0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2fj6 n HIS 55 Cb 0.65 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2fj6 n HIS 55 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 2fj6 n THR 56 N 0.37 0.00 -0.19 3.57 5.66 -0.13 -4.91 114.28 118.65 2fj6 n THR 56 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2fj6 n THR 56 Cb 0.21 0.62 0.08 0.00 -1.55 0.00 0.00 70.33 69.70 2fj6 n THR 56 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2fj6 h MET 57 N 0.00 0.09 -0.38 1.09 -1.53 -1.54 0.70 114.93 113.35 2fj6 h MET 57 Ca 0.00 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 2fj6 h MET 57 Cb 1.04 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 32.05 2fj6 h MET 57 CO 0.00 0.06 0.21 0.00 0.14 0.00 0.00 176.91 177.32 2fj6 h ALA 58 N 1.54 1.66 -0.10 0.39 0.00 -1.91 -1.61 119.26 119.23 2fj6 h ALA 58 Ca 0.30 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2fj6 h ALA 58 Cb 0.48 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2fj6 h ALA 58 CO -0.52 0.29 -0.62 1.15 0.00 0.00 0.00 179.25 179.55 2fj6 h THR 59 N 0.52 1.34 -0.10 0.00 2.02 -0.62 -2.73 112.91 113.35 2fj6 h THR 59 Ca 0.14 -1.92 0.03 0.00 0.77 0.00 0.00 66.41 65.42 2fj6 h THR 59 Cb 0.01 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2fj6 h THR 59 CO -0.02 0.58 -0.06 0.15 0.37 0.00 0.00 175.52 176.54 2fj6 h PHE 60 N 0.23 -0.14 -0.40 3.16 3.57 0.68 1.02 116.94 125.05 2fj6 h PHE 60 Ca -0.05 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.53 2fj6 h PHE 60 Cb 1.27 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 2fj6 h PHE 60 CO 0.11 -0.10 0.04 0.22 -2.23 0.00 0.00 178.31 176.36 2fj6 h ASP 61 N -0.06 -0.08 -0.60 0.41 3.58 -1.37 0.21 116.42 118.51 2fj6 h ASP 61 Ca 0.06 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 2fj6 h ASP 61 Cb 0.15 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2fj6 h ASP 61 CO -0.13 -0.00 0.03 -0.08 -2.88 0.00 0.00 179.24 176.17 2fj6 h GLU 62 N 0.16 1.05 -0.31 0.28 4.81 -1.09 -2.70 114.58 116.78 2fj6 h GLU 62 Ca 0.20 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2fj6 h GLU 62 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2fj6 h GLU 62 CO -0.29 1.02 0.20 0.00 -0.73 0.00 0.00 179.01 179.20 2fj6 h ALA 63 N 0.99 0.40 -0.43 2.92 0.00 0.20 -2.30 119.26 121.05 2fj6 h ALA 63 Ca 0.17 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2fj6 h ALA 63 Cb 0.53 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2fj6 h ALA 63 CO 0.03 -0.12 0.07 2.35 0.00 0.00 0.00 179.25 181.57 2fj6 h TRP 64 N 0.41 0.10 -0.94 0.00 2.91 -0.50 0.41 115.95 118.35 2fj6 h TRP 64 Ca 0.11 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.31 2fj6 h TRP 64 Cb -0.02 0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 28.55 2fj6 h TRP 64 CO -0.05 -0.01 0.54 -0.44 -1.03 0.00 0.00 178.44 177.45 2fj6 h ASP 65 N 0.19 0.72 -0.14 2.65 3.32 -1.13 0.24 116.42 122.27 2fj6 h ASP 65 Ca 0.21 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 2fj6 h ASP 65 Cb 0.27 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2fj6 h ASP 65 CO -0.29 0.31 -0.18 -0.61 -1.72 0.00 0.00 179.24 176.75 2fj6 h GLN 66 N 0.77 0.36 -0.05 3.56 5.75 -0.53 -2.22 115.11 122.75 2fj6 h GLN 66 Ca 0.51 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.84 2fj6 h GLN 66 Cb 0.68 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 2fj6 h GLN 66 CO -0.34 0.78 -0.29 -0.92 -2.65 0.00 0.00 178.83 175.41 2fj6 h TYR 67 N -0.03 -0.80 -0.35 3.99 3.20 0.12 -1.78 116.97 121.32 2fj6 h TYR 67 Ca 0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2fj6 h TYR 67 Cb 0.74 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 2fj6 h TYR 67 CO 0.09 -0.38 0.00 0.93 -1.64 0.00 0.00 178.16 177.16 2fj6 h GLU 68 N -0.41 0.10 -0.57 1.82 4.39 -0.62 0.28 114.58 119.57 2fj6 h GLU 68 Ca 0.08 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.94 2fj6 h GLU 68 Cb 0.52 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2fj6 h GLU 68 CO -0.29 0.07 0.49 1.03 -1.16 0.00 0.00 179.01 179.15 2fj6 h SER 69 N 0.10 0.00 0.00 1.42 0.87 -0.73 2.16 113.55 117.37 2fj6 h SER 69 Ca 0.17 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2fj6 h SER 69 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2fj6 h SER 69 CO -0.28 0.00 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.42 2fj6 h GLU 70 N 0.00 0.00 0.00 2.24 4.39 -0.16 -3.34 114.58 117.70 2fj6 h GLU 70 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2fj6 h GLU 70 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2fj6 h GLU 70 CO -0.00 0.56 -0.59 0.28 -1.16 0.00 0.00 179.01 178.10 2fj6 h VAL 71 N -1.00 0.00 0.00 3.13 2.07 -0.81 -3.28 116.25 116.36 2fj6 h VAL 71 Ca -0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2fj6 h VAL 71 Cb 0.67 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2fj6 h VAL 71 CO -0.03 0.00 0.00 -0.74 0.02 0.00 0.00 177.57 176.82 2fj6 h HIS 72 N 0.00 0.00 0.00 1.57 -0.00 0.34 -3.02 115.15 114.04 2fj6 h HIS 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2fj6 h HIS 72 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2fj6 h HIS 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.34 2fj6 n GLY 73 N 0.85 -0.41 3.86 5.26 0.00 -1.24 -4.72 105.19 108.80 2fj6 n GLY 73 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2fj6 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fj6 s ARG 74 N -2.16 3.73 -1.11 1.61 1.81 -1.14 -4.99 118.95 116.69 2fj6 s ARG 74 Ca 0.14 0.76 -0.04 0.00 -1.72 0.00 0.00 55.73 54.87 2fj6 s ARG 74 Cb 0.07 -2.14 0.28 0.00 -0.45 0.00 0.00 34.95 32.71 2fj6 s ARG 74 CO 0.13 -0.41 1.71 1.28 -0.68 0.00 0.00 175.30 177.33 2fj6 n LEU 75 N -2.22 6.87 -0.20 2.53 7.99 -1.26 -4.76 117.00 125.95 2fj6 n LEU 75 Ca 0.06 -5.17 0.00 0.00 -0.01 0.00 0.00 56.01 50.89 2fj6 n LEU 75 Cb 0.54 -1.28 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 2fj6 n LEU 75 CO 0.53 1.79 0.36 -0.62 -1.51 0.00 0.00 177.39 177.93 2fj6 n GLU 76 N 1.28 0.89 -1.19 3.23 1.02 -1.26 -4.98 120.64 119.62 2fj6 n GLU 76 Ca 0.37 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.65 2fj6 n GLU 76 Cb 0.31 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 2fj6 n GLU 76 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2fj6 n HIS 77 N -0.28 -3.20 -3.57 -0.32 -0.00 -1.26 -5.05 115.22 101.55 2fj6 n HIS 77 Ca 0.00 1.76 -0.17 0.00 -0.00 0.00 0.00 57.72 59.31 2fj6 n HIS 77 Cb 0.09 -2.91 -0.06 0.00 -0.00 0.00 0.00 29.99 27.10 2fj6 n HIS 77 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2fj6 s HIS 78 N -3.94 -0.68 0.09 1.57 -3.43 -1.26 -5.18 115.29 102.46 2fj6 s HIS 78 Ca 0.00 1.33 -0.19 0.00 -0.80 0.00 0.00 55.06 55.41 2fj6 s HIS 78 Cb 0.00 0.35 0.04 0.00 -1.43 0.00 0.00 32.58 31.54 2fj6 s HIS 78 CO 0.00 -0.53 0.45 -3.38 -2.00 0.00 0.00 174.74 169.29 2fj6 s HIS 79 N -0.70 -0.31 0.02 0.38 -3.43 -1.26 -5.14 115.29 104.85 2fj6 s HIS 79 Ca -0.08 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.34 2fj6 s HIS 79 Cb -0.02 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.43 2fj6 s HIS 79 CO 0.07 -0.67 0.00 0.72 -2.00 0.00 0.00 174.74 172.86 2fj6 n HIS 80 N 0.08 -2.03 0.10 0.38 8.25 -1.26 -5.01 115.22 115.72 2fj6 n HIS 80 Ca -0.17 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2fj6 n HIS 80 Cb 0.62 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.81 2fj6 n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fj6 n HIS 81 N -2.00 -3.16 -1.25 4.41 -0.00 -1.26 -5.32 115.22 106.64 2fj6 n HIS 81 Ca 0.00 0.67 0.00 0.00 0.46 0.00 0.00 57.72 58.85 2fj6 n HIS 81 Cb 0.04 1.91 0.00 0.00 -0.12 0.00 0.00 29.99 31.81 2fj6 n HIS 81 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38