#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 -0.19 -1.76 2.12 0.00 -1.26 -4.90 118.16 112.17 2fj6 n LYS 2 Ca 0.00 0.02 -0.41 0.00 -0.00 0.00 0.00 58.31 57.92 2fj6 n LYS 2 Cb 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 35.03 32.68 2fj6 n LYS 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2fj6 n SER 3 N -3.58 3.50 -0.16 -5.58 3.41 -1.26 -4.84 113.62 105.11 2fj6 n SER 3 Ca 0.12 1.19 0.13 0.00 -0.26 0.00 0.00 58.87 60.05 2fj6 n SER 3 Cb 0.51 -1.60 0.47 0.00 -0.26 0.00 0.00 64.21 63.34 2fj6 n SER 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2fj6 h PHE 4 N 2.69 0.55 -0.23 7.33 3.57 -1.90 0.06 116.94 129.00 2fj6 h PHE 4 Ca -0.50 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 60.91 2fj6 h PHE 4 Cb 1.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2fj6 h PHE 4 CO 0.51 0.23 -0.30 -0.92 -2.23 0.00 0.00 178.31 175.61 2fj6 h TYR 5 N 0.49 0.52 0.13 0.41 3.20 -1.92 -1.44 116.97 118.35 2fj6 h TYR 5 Ca 0.35 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2fj6 h TYR 5 Cb 0.69 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2fj6 h TYR 5 CO -0.00 0.71 -0.06 0.45 -1.64 0.00 0.00 178.16 177.61 2fj6 h HIS 6 N 0.40 -0.16 -0.01 -3.82 3.86 -1.35 0.42 115.15 114.48 2fj6 h HIS 6 Ca 0.05 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2fj6 h HIS 6 Cb 0.72 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 2fj6 h HIS 6 CO 0.02 0.21 -0.13 -0.92 0.86 0.00 0.00 177.93 177.98 2fj6 h TYR 7 N -0.57 -0.32 -0.10 2.45 3.20 -1.44 0.28 116.97 120.47 2fj6 h TYR 7 Ca -0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2fj6 h TYR 7 Cb 0.45 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2fj6 h TYR 7 CO 0.05 -0.19 0.12 1.25 -1.64 0.00 0.00 178.16 177.75 2fj6 h LEU 8 N -0.21 0.00 -2.56 2.82 5.85 -1.24 -0.43 115.31 119.55 2fj6 h LEU 8 Ca 0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2fj6 h LEU 8 Cb 0.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2fj6 h LEU 8 CO -0.13 0.00 0.07 0.25 -0.34 0.00 0.00 178.44 178.29 2fj6 h LEU 9 N 0.00 0.00 -1.24 2.25 6.46 0.36 0.13 115.31 123.27 2fj6 h LEU 9 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2fj6 h LEU 9 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2fj6 h LEU 9 CO -0.00 0.00 0.00 0.50 -0.62 0.00 0.00 178.44 178.32 2fj6 h LYS 10 N 0.00 0.00 -1.73 1.25 3.64 -1.03 -2.77 116.57 115.92 2fj6 h LYS 10 Ca 0.02 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.80 2fj6 h LYS 10 Cb 0.16 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.76 2fj6 h LYS 10 CO -0.00 0.00 0.71 0.66 -2.27 0.00 0.00 179.45 178.55 2fj6 n TYR 11 N -2.60 2.36 -0.91 1.91 4.01 0.45 -5.01 117.16 117.38 2fj6 n TYR 11 Ca 0.01 -2.28 -0.28 0.00 -0.16 0.00 0.00 57.90 55.18 2fj6 n TYR 11 Cb 0.22 -1.27 0.01 0.00 -0.31 0.00 0.00 39.34 37.99 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 -0.02 0.00 -0.01 -0.72 1.74 -1.05 -4.40 116.66 112.20 2fj6 n ARG 12 Ca 0.50 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.48 2fj6 n ARG 12 Cb 0.47 -0.72 0.04 0.00 -1.02 0.00 0.00 32.46 31.23 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2fj6 h HIS 13 N 0.00 0.75 0.00 -1.55 2.07 -1.89 -3.21 115.15 111.33 2fj6 h HIS 13 Ca -0.30 -0.26 0.00 0.00 -2.85 0.00 0.00 60.37 56.96 2fj6 h HIS 13 Cb 1.05 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.89 2fj6 h HIS 13 CO 0.17 1.01 0.00 -2.30 -3.07 0.00 0.00 177.93 173.74 2fj6 n PRO 14 N -3.97 0.32 -2.70 5.12 -0.02 -1.26 -3.61 135.00 128.88 2fj6 n PRO 14 Ca -0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.39 2fj6 n PRO 14 Cb 0.60 -1.18 0.06 0.00 -0.02 0.00 0.00 33.50 32.97 2fj6 n PRO 14 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2fj6 n LYS 15 N 0.39 0.38 -2.86 -0.52 4.81 -1.21 -5.11 118.16 114.04 2fj6 n LYS 15 Ca 0.00 -1.11 -0.43 0.00 -0.87 0.00 0.00 58.31 55.90 2fj6 n LYS 15 Cb 0.09 -0.71 -0.04 0.00 0.02 0.00 0.00 35.03 34.39 2fj6 n LYS 15 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2fj6 s PRO 16 N 0.37 3.18 0.00 1.64 0.04 -1.24 -4.79 135.00 134.20 2fj6 s PRO 16 Ca 0.28 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2fj6 s PRO 16 Cb 0.21 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2fj6 s PRO 16 CO -0.15 -1.69 0.00 1.63 0.04 0.00 0.00 177.00 176.83 2fj6 n LYS 17 N 7.61 0.00 -2.16 4.56 5.02 -1.26 -4.78 118.16 127.14 2fj6 n LYS 17 Ca -0.02 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 2fj6 n LYS 17 Cb 0.46 -0.45 0.09 0.00 -0.02 0.00 0.00 35.03 35.12 2fj6 n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fj6 s ASP 18 N -1.84 4.46 0.26 4.39 2.15 -1.26 -4.87 116.67 119.96 2fj6 s ASP 18 Ca 0.00 0.38 -0.01 0.00 0.43 0.00 0.00 52.55 53.35 2fj6 s ASP 18 Cb 0.00 -0.89 0.53 0.00 -0.30 0.00 0.00 42.92 42.26 2fj6 s ASP 18 CO 0.00 -1.84 1.76 -1.28 -0.17 0.00 0.00 175.17 173.64 2fj6 h SER 19 N -0.81 0.51 -0.50 -0.34 0.87 -2.00 0.24 113.55 111.51 2fj6 h SER 19 Ca -0.44 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2fj6 h SER 19 Cb 1.30 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 2fj6 h SER 19 CO 0.55 0.21 0.30 -0.29 -0.53 0.00 0.00 176.83 177.08 2fj6 h ILE 20 N 0.61 1.15 -0.49 2.23 2.10 -1.94 -1.92 117.51 119.24 2fj6 h ILE 20 Ca 0.46 -0.34 -0.04 0.00 1.08 0.00 0.00 64.86 66.03 2fj6 h ILE 20 Cb 0.66 0.43 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 2fj6 h ILE 20 CO -0.37 0.16 0.16 0.28 -1.08 0.00 0.00 178.15 177.29 2fj6 h SER 21 N 0.70 0.71 -0.85 2.19 0.02 -0.90 -1.81 113.55 113.62 2fj6 h SER 21 Ca 0.18 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2fj6 h SER 21 Cb -0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 2fj6 h SER 21 CO -0.03 0.72 0.51 -0.33 -1.14 0.00 0.00 176.83 176.55 2fj6 h GLU 22 N 0.66 1.16 -0.25 3.45 5.08 -0.69 -1.42 114.58 122.56 2fj6 h GLU 22 Ca 0.16 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2fj6 h GLU 22 Cb 0.26 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2fj6 h GLU 22 CO -0.01 0.81 0.14 0.35 -1.00 0.00 0.00 179.01 179.31 2fj6 h PHE 23 N 1.17 0.27 -0.85 4.33 3.57 -0.96 -0.71 116.94 123.76 2fj6 h PHE 23 Ca 0.30 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.93 2fj6 h PHE 23 Cb -0.04 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 2fj6 h PHE 23 CO 0.01 0.16 0.55 0.00 -2.23 0.00 0.00 178.31 176.80 2fj6 h ALA 24 N 1.11 1.78 -0.40 2.41 0.00 -0.60 -0.87 119.26 122.68 2fj6 h ALA 24 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2fj6 h ALA 24 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2fj6 h ALA 24 CO -0.04 0.02 0.01 -0.97 0.00 0.00 0.00 179.25 178.27 2fj6 h ASN 25 N 0.74 -0.14 0.04 0.00 -0.73 -0.10 0.20 115.58 115.58 2fj6 h ASN 25 Ca 0.41 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.67 2fj6 h ASN 25 Cb 0.56 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.31 2fj6 h ASN 25 CO -0.17 -0.04 -0.02 -0.61 -0.37 0.00 0.00 177.43 176.22 2fj6 h GLN 26 N 0.12 -0.05 -0.37 6.67 4.15 -0.83 -2.45 115.11 122.34 2fj6 h GLN 26 Ca 0.20 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.69 2fj6 h GLN 26 Cb 0.27 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2fj6 h GLN 26 CO -0.32 0.04 0.26 0.00 -1.93 0.00 0.00 178.83 176.88 2fj6 h ALA 27 N 0.82 2.11 -0.14 3.38 0.00 -0.83 -0.48 119.26 124.13 2fj6 h ALA 27 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2fj6 h ALA 27 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fj6 h ALA 27 CO 0.01 -0.20 0.09 -0.92 0.00 0.00 0.00 179.25 178.24 2fj6 h TYR 28 N 0.18 0.09 -0.01 0.00 5.03 -0.13 0.11 116.97 122.24 2fj6 h TYR 28 Ca 0.17 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2fj6 h TYR 28 Cb 0.44 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2fj6 h TYR 28 CO -0.00 0.05 0.00 0.39 -1.32 0.00 0.00 178.16 177.28 2fj6 n GLU 29 N -4.51 1.28 -1.88 1.82 1.02 -0.19 -4.87 120.64 113.30 2fj6 n GLU 29 Ca -0.00 -0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 56.44 2fj6 n GLU 29 Cb 0.15 -1.48 0.19 0.00 -0.02 0.00 0.00 31.44 30.28 2fj6 n GLU 29 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fj6 s ASP 30 N -1.97 2.99 0.00 1.62 2.15 0.36 -5.02 116.67 116.80 2fj6 s ASP 30 Ca 0.43 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2fj6 s ASP 30 Cb 0.21 -0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2fj6 s ASP 30 CO 0.35 -2.81 0.26 1.57 -0.17 0.00 0.00 175.17 174.36 2fj6 n HIS 31 N -3.82 0.00 -0.79 -5.34 -0.00 -1.26 -4.95 115.22 99.05 2fj6 n HIS 31 Ca 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2fj6 n HIS 31 Cb 0.59 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.84 2fj6 n HIS 31 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2fj6 n SER 32 N 0.00 0.04 -4.62 0.26 7.64 -1.26 -5.10 113.62 110.58 2fj6 n SER 32 Ca -0.05 -0.83 -0.45 0.00 1.01 0.00 0.00 58.87 58.55 2fj6 n SER 32 Cb 0.29 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 2fj6 n SER 32 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2fj6 n PHE 33 N -0.01 1.57 -0.97 1.43 7.35 -1.26 -4.80 117.46 120.78 2fj6 n PHE 33 Ca 0.00 0.64 -0.29 0.00 -0.76 0.00 0.00 57.45 57.04 2fj6 n PHE 33 Cb 0.20 -2.31 -0.02 0.00 0.35 0.00 0.00 39.48 37.69 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 0.97 2.39 0.21 -7.13 -0.04 -1.26 -4.63 135.00 125.51 2fj6 n PRO 34 Ca 0.10 -1.73 0.18 0.00 -0.04 0.00 0.00 63.50 62.00 2fj6 n PRO 34 Cb 0.32 -2.63 0.84 0.00 -0.04 0.00 0.00 33.50 31.98 2fj6 n PRO 34 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2fj6 h LYS 35 N 6.22 0.00 -1.04 0.54 1.57 -2.00 0.21 116.57 122.07 2fj6 h LYS 35 Ca 0.57 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.87 2fj6 h LYS 35 Cb 0.28 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.33 2fj6 h LYS 35 CO 1.61 0.00 0.62 -2.37 -0.57 0.00 0.00 179.45 178.74 2fj6 n THR 36 N -3.72 3.04 0.00 -0.16 5.66 -1.26 -4.62 114.28 113.22 2fj6 n THR 36 Ca 0.02 -1.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.10 2fj6 n THR 36 Cb 0.34 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 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 -0.81 0.00 -4.37 1.09 2.88 0.06 -5.13 113.62 107.35 2fj6 n SER 37 Ca 0.52 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.64 2fj6 n SER 37 Cb 1.25 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.61 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 4.79 -0.09 2.46 -1.32 -1.26 -4.75 115.64 115.48 2fj6 s THR 38 Ca 0.00 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.46 2fj6 s THR 38 Cb 0.00 -3.77 0.04 0.00 -1.51 0.00 0.00 72.50 67.27 2fj6 s THR 38 CO 0.00 -0.39 0.19 -0.62 -2.21 0.00 0.00 174.62 171.59 2fj6 s ASP 39 N 1.93 0.06 0.24 8.08 2.15 -1.26 -5.04 116.67 122.84 2fj6 s ASP 39 Ca 0.03 0.39 -0.07 0.00 0.43 0.00 0.00 52.55 53.33 2fj6 s ASP 39 Cb -0.21 0.31 0.42 0.00 -0.30 0.00 0.00 42.92 43.14 2fj6 s ASP 39 CO 0.06 -0.18 1.64 0.22 -0.17 0.00 0.00 175.17 176.74 2fj6 h TYR 40 N 7.56 -0.07 0.04 -5.34 3.20 -1.97 0.77 116.97 121.16 2fj6 h TYR 40 Ca -0.34 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 2fj6 h TYR 40 Cb 1.14 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2fj6 h TYR 40 CO 0.40 -0.24 -0.02 0.45 -1.64 0.00 0.00 178.16 177.12 2fj6 h HIS 41 N 0.10 -0.05 -0.20 -3.82 3.86 -1.98 0.47 115.15 113.53 2fj6 h HIS 41 Ca 0.40 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2fj6 h HIS 41 Cb 0.70 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2fj6 h HIS 41 CO -0.43 0.11 0.12 1.49 0.86 0.00 0.00 177.93 180.08 2fj6 h GLU 42 N -0.20 0.27 0.00 2.45 4.81 -1.60 -1.49 114.58 118.82 2fj6 h GLU 42 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2fj6 h GLU 42 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2fj6 h GLU 42 CO 0.01 0.23 -0.00 0.82 -0.73 0.00 0.00 179.01 179.33 2fj6 h ILE 43 N 0.23 1.23 -0.71 2.32 1.08 0.54 -2.09 117.51 120.11 2fj6 h ILE 43 Ca 0.07 -0.69 0.13 0.00 -0.39 0.00 0.00 64.86 63.99 2fj6 h ILE 43 Cb 0.03 1.69 -0.09 0.00 -3.07 0.00 0.00 36.82 35.38 2fj6 h ILE 43 CO -0.01 0.18 0.25 0.77 -0.69 0.00 0.00 178.15 178.64 2fj6 h SER 44 N -0.30 0.20 -0.18 1.72 4.64 0.01 0.19 113.55 119.82 2fj6 h SER 44 Ca -0.00 0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 2fj6 h SER 44 Cb 0.30 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2fj6 h SER 44 CO 0.00 0.08 -0.02 0.77 -0.87 0.00 0.00 176.83 176.79 2fj6 h SER 45 N 0.39 0.43 -0.73 4.97 4.64 -1.18 -1.72 113.55 120.35 2fj6 h SER 45 Ca 0.39 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.65 2fj6 h SER 45 Cb 0.58 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2fj6 h SER 45 CO -0.40 0.51 0.48 0.22 -0.87 0.00 0.00 176.83 176.77 2fj6 h TYR 46 N 0.44 0.89 -0.01 4.77 3.20 0.08 0.59 116.97 126.94 2fj6 h TYR 46 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2fj6 h TYR 46 Cb 0.32 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2fj6 h TYR 46 CO 0.01 0.54 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.87 2fj6 h LEU 47 N 0.94 0.12 -2.20 2.82 3.38 -0.88 -3.18 115.31 116.29 2fj6 h LEU 47 Ca 0.28 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2fj6 h LEU 47 Cb -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2fj6 h LEU 47 CO -0.07 0.85 -0.05 -0.33 0.09 0.00 0.00 178.44 178.92 2fj6 h GLU 48 N -0.60 0.00 0.00 1.13 5.08 -0.97 -1.25 114.58 117.98 2fj6 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2fj6 h GLU 48 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2fj6 h GLU 48 CO 0.02 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 2fj6 n LEU 49 N -3.39 0.27 -3.66 1.33 4.77 0.20 -4.47 117.00 112.06 2fj6 n LEU 49 Ca -0.02 0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 56.44 2fj6 n LEU 49 Cb 0.19 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 2fj6 n LEU 49 CO 0.26 -0.52 -0.07 0.21 -1.33 0.00 0.00 177.39 175.94 2fj6 s ASN 50 N -3.51 0.11 0.62 -1.43 3.84 -0.47 -5.02 114.94 109.09 2fj6 s ASN 50 Ca 0.03 0.74 0.29 0.00 0.21 0.00 0.00 52.86 54.13 2fj6 s ASN 50 Cb 0.06 0.94 1.56 0.00 -0.55 0.00 0.00 41.25 43.26 2fj6 s ASN 50 CO 0.22 -0.24 1.93 0.00 -2.79 0.00 0.00 177.10 176.22 2fj6 h ALA 51 N 8.22 1.77 -0.32 1.71 0.00 -1.78 -0.85 119.26 128.01 2fj6 h ALA 51 Ca -0.15 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2fj6 h ALA 51 Cb 1.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2fj6 h ALA 51 CO 0.13 -0.50 0.22 -0.44 0.00 0.00 0.00 179.25 178.66 2fj6 h ASP 52 N 0.00 0.13 0.38 0.00 3.32 -1.95 -1.31 116.42 116.98 2fj6 h ASP 52 Ca 0.11 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2fj6 h ASP 52 Cb 0.88 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2fj6 h ASP 52 CO -0.00 0.08 -1.70 -1.22 -1.72 0.00 0.00 179.24 174.68 2fj6 n TYR 53 N -4.47 0.43 0.12 4.55 4.02 -0.34 -4.16 117.16 117.32 2fj6 n TYR 53 Ca 0.04 0.13 0.19 0.00 -0.01 0.00 0.00 57.90 58.26 2fj6 n TYR 53 Cb 0.29 -0.80 0.77 0.00 -0.02 0.00 0.00 39.34 39.57 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 -0.50 7.72 5.85 -1.11 0.24 115.31 127.50 2fj6 h LEU 54 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2fj6 h LEU 54 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2fj6 h LEU 54 CO 0.01 0.00 0.00 1.57 -0.34 0.00 0.00 178.44 179.68 2fj6 n HIS 55 N -3.82 0.14 -2.24 1.25 -0.00 -1.19 -3.69 115.22 105.67 2fj6 n HIS 55 Ca 0.06 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2fj6 n HIS 55 Cb 0.52 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.38 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 -0.19 0.00 -0.29 3.57 5.66 0.81 -4.90 114.28 118.94 2fj6 n THR 56 Ca 0.10 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2fj6 n THR 56 Cb 0.15 0.70 0.20 0.00 -1.55 0.00 0.00 70.33 69.82 2fj6 n THR 56 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2fj6 h MET 57 N 0.48 1.11 -0.46 1.09 2.07 -1.57 -1.23 114.93 116.42 2fj6 h MET 57 Ca -0.25 -0.07 0.04 0.00 -2.07 0.00 0.00 59.70 57.35 2fj6 h MET 57 Cb 1.61 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 31.06 2fj6 h MET 57 CO -0.02 0.73 0.30 0.00 1.07 0.00 0.00 176.91 179.00 2fj6 h ALA 58 N 1.47 1.84 -0.11 6.32 0.00 -1.90 0.29 119.26 127.17 2fj6 h ALA 58 Ca 0.33 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 2fj6 h ALA 58 Cb -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2fj6 h ALA 58 CO -0.09 0.10 -0.61 1.15 0.00 0.00 0.00 179.25 179.81 2fj6 h THR 59 N 0.47 1.34 0.06 0.00 2.02 -1.63 -2.42 112.91 112.75 2fj6 h THR 59 Ca 0.19 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 2fj6 h THR 59 Cb 0.16 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2fj6 h THR 59 CO -0.05 0.58 -0.03 0.15 0.37 0.00 0.00 175.52 176.55 2fj6 h PHE 60 N 0.25 -0.07 -0.66 3.16 3.57 -0.95 0.11 116.94 122.36 2fj6 h PHE 60 Ca -0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.55 2fj6 h PHE 60 Cb 1.26 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 2fj6 h PHE 60 CO 0.11 0.18 0.28 -0.44 -2.23 0.00 0.00 178.31 176.21 2fj6 h ASP 61 N -0.32 0.31 -0.65 0.41 3.32 -1.04 0.14 116.42 118.59 2fj6 h ASP 61 Ca -0.01 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2fj6 h ASP 61 Cb 0.28 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2fj6 h ASP 61 CO 0.01 0.17 0.08 -0.08 -1.72 0.00 0.00 179.24 177.71 2fj6 h GLU 62 N 0.48 1.09 -0.32 3.56 4.22 -1.29 -2.48 114.58 119.85 2fj6 h GLU 62 Ca 0.34 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2fj6 h GLU 62 Cb 0.41 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2fj6 h GLU 62 CO -0.31 1.02 0.20 0.00 -2.18 0.00 0.00 179.01 177.74 2fj6 h ALA 63 N 1.03 0.40 -0.39 2.92 0.00 0.80 -2.47 119.26 121.55 2fj6 h ALA 63 Ca 0.19 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2fj6 h ALA 63 Cb 0.47 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2fj6 h ALA 63 CO 0.02 -0.12 0.06 2.35 0.00 0.00 0.00 179.25 181.56 2fj6 h TRP 64 N 0.42 0.10 -0.98 0.00 2.91 -0.61 0.17 115.95 117.95 2fj6 h TRP 64 Ca 0.11 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.32 2fj6 h TRP 64 Cb -0.02 0.02 -0.10 0.00 -0.51 0.00 0.00 29.16 28.55 2fj6 h TRP 64 CO -0.05 -0.01 0.59 -0.44 -1.03 0.00 0.00 178.44 177.50 2fj6 h ASP 65 N 0.18 0.79 -0.19 2.65 3.32 -1.08 -0.08 116.42 122.01 2fj6 h ASP 65 Ca 0.19 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2fj6 h ASP 65 Cb 0.24 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2fj6 h ASP 65 CO -0.27 0.33 -0.30 1.56 -1.72 0.00 0.00 179.24 178.84 2fj6 h GLN 66 N 0.81 0.53 -0.03 3.56 1.08 -0.73 -2.48 115.11 117.84 2fj6 h GLN 66 Ca 0.54 -0.32 0.04 0.00 -1.45 0.00 0.00 58.65 57.45 2fj6 h GLN 66 Cb 0.74 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 2fj6 h GLN 66 CO -0.35 0.93 -0.35 -0.92 -0.95 0.00 0.00 178.83 177.19 2fj6 h TYR 67 N 0.19 -0.99 -0.21 2.96 3.20 0.89 -1.34 116.97 121.66 2fj6 h TYR 67 Ca 0.01 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2fj6 h TYR 67 Cb 0.89 0.44 -0.05 0.00 1.54 0.00 0.00 36.73 39.55 2fj6 h TYR 67 CO 0.09 -0.44 -0.09 0.93 -1.64 0.00 0.00 178.16 177.01 2fj6 h GLU 68 N -0.49 -0.06 -0.78 1.82 4.39 -1.13 0.56 114.58 118.89 2fj6 h GLU 68 Ca 0.07 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.99 2fj6 h GLU 68 Cb 0.59 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2fj6 h GLU 68 CO -0.31 -0.04 0.59 1.03 -1.16 0.00 0.00 179.01 179.13 2fj6 h SER 69 N -0.06 0.00 0.00 1.42 0.87 -0.92 1.79 113.55 116.65 2fj6 h SER 69 Ca 0.11 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2fj6 h SER 69 Cb 0.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2fj6 h SER 69 CO -0.26 0.00 -0.28 -0.33 -0.53 0.00 0.00 176.83 175.44 2fj6 h GLU 70 N 0.00 0.00 -0.48 2.24 4.39 0.04 -3.37 114.58 117.40 2fj6 h GLU 70 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2fj6 h GLU 70 Cb 1.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2fj6 h GLU 70 CO -0.00 0.40 0.00 0.28 -1.16 0.00 0.00 179.01 178.53 2fj6 n VAL 71 N -4.65 0.68 0.29 3.13 0.31 0.01 -3.92 118.33 114.18 2fj6 n VAL 71 Ca -0.09 -0.49 0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2fj6 n VAL 71 Cb 0.27 0.02 0.33 0.00 -0.91 0.00 0.00 33.84 33.55 2fj6 n VAL 71 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2fj6 h HIS 72 N 1.86 0.00 0.00 3.52 -0.00 0.26 -2.91 115.15 117.88 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 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 2fj6 h HIS 72 CO 0.30 0.00 -0.02 0.41 -0.00 0.00 0.00 177.93 178.62 2fj6 n GLY 73 N 0.85 -1.70 6.22 5.26 0.00 -1.25 -4.98 105.19 109.58 2fj6 n GLY 73 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fj6 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fj6 n ARG 74 N -2.24 0.00 -2.28 1.61 1.74 -1.10 -3.33 116.66 111.05 2fj6 n ARG 74 Ca 0.06 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.78 2fj6 n ARG 74 Cb 0.43 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.89 2fj6 n ARG 74 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2fj6 n LEU 75 N 0.00 6.44 -2.23 0.55 7.99 -1.26 -4.83 117.00 123.66 2fj6 n LEU 75 Ca 0.00 -5.11 -0.20 0.00 -0.01 0.00 0.00 56.01 50.69 2fj6 n LEU 75 Cb 0.00 -0.87 -0.07 0.00 -0.11 0.00 0.00 43.42 42.37 2fj6 n LEU 75 CO 0.00 2.00 1.52 -0.62 -1.51 0.00 0.00 177.39 178.77 2fj6 n GLU 76 N -0.42 2.14 -1.19 3.23 -0.58 -1.21 -4.95 120.64 117.66 2fj6 n GLU 76 Ca 0.47 -1.76 -0.29 0.00 -0.42 0.00 0.00 57.16 55.16 2fj6 n GLU 76 Cb 0.37 -1.98 0.18 0.00 -0.57 0.00 0.00 31.44 29.44 2fj6 n GLU 76 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2fj6 s HIS 77 N -0.90 2.11 -0.02 -0.32 2.46 -1.26 -5.04 115.29 112.31 2fj6 s HIS 77 Ca 0.55 0.95 -0.02 0.00 0.47 0.00 0.00 55.06 57.00 2fj6 s HIS 77 Cb 0.33 -3.29 -0.01 0.00 -0.13 0.00 0.00 32.58 29.49 2fj6 s HIS 77 CO -0.12 -2.91 -0.05 0.72 -2.47 0.00 0.00 174.74 169.91 2fj6 n HIS 78 N -4.18 0.00 -1.59 3.88 8.25 -1.26 -5.00 115.22 115.32 2fj6 n HIS 78 Ca 0.05 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 57.02 2fj6 n HIS 78 Cb 0.58 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 2fj6 n HIS 78 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fj6 n HIS 79 N -2.81 1.48 -1.83 4.41 8.25 -1.26 -4.96 115.22 118.50 2fj6 n HIS 79 Ca -0.02 0.63 -0.29 0.00 -0.26 0.00 0.00 57.72 57.78 2fj6 n HIS 79 Cb 0.07 -2.32 0.11 0.00 1.12 0.00 0.00 29.99 28.97 2fj6 n HIS 79 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2fj6 s HIS 80 N 0.00 2.64 0.19 4.41 0.09 -1.26 -5.01 115.29 116.35 2fj6 s HIS 80 Ca 0.75 0.70 -0.30 0.00 -0.00 0.00 0.00 55.06 56.21 2fj6 s HIS 80 Cb -0.84 -3.57 -0.08 0.00 -0.00 0.00 0.00 32.58 28.08 2fj6 s HIS 80 CO 0.50 -2.04 1.25 -1.58 -0.00 0.00 0.00 174.74 172.87 2fj6 s HIS 81 N -3.56 3.34 0.00 1.40 2.46 -1.26 -5.25 115.29 112.41 2fj6 s HIS 81 Ca 0.64 1.31 0.00 0.00 0.47 0.00 0.00 55.06 57.48 2fj6 s HIS 81 Cb -0.11 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2fj6 s HIS 81 CO 0.50 -1.56 0.00 1.58 -2.47 0.00 0.00 174.74 172.80