#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fj6 s LYS 2 N 0.00 3.11 0.00 0.03 -2.85 -1.26 -4.89 119.74 113.88 2fj6 s LYS 2 Ca 0.00 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2fj6 s LYS 2 Cb 0.00 -4.26 0.00 0.00 -2.06 0.00 0.00 37.83 31.51 2fj6 s LYS 2 CO 0.00 -1.74 0.00 0.43 0.10 0.00 0.00 175.35 174.14 2fj6 n SER 3 N 7.27 0.00 -0.36 0.03 7.64 -1.26 -4.15 113.62 122.79 2fj6 n SER 3 Ca -0.04 0.00 0.31 0.00 1.01 0.00 0.00 58.87 60.14 2fj6 n SER 3 Cb 0.45 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.28 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 0.44 0.38 -0.48 1.43 3.04 -1.89 0.40 116.94 120.27 2fj6 h PHE 4 Ca 0.00 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.98 2fj6 h PHE 4 Cb 0.00 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2fj6 h PHE 4 CO 0.00 -0.01 0.29 -0.92 -2.02 0.00 0.00 178.31 175.65 2fj6 h TYR 5 N 0.19 0.55 -0.44 0.41 3.20 -1.87 -1.53 116.97 117.48 2fj6 h TYR 5 Ca 0.64 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.40 2fj6 h TYR 5 Cb 2.05 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 40.13 2fj6 h TYR 5 CO -0.00 0.32 -0.25 0.45 -1.64 0.00 0.00 178.16 177.04 2fj6 h HIS 6 N 0.59 1.05 -0.36 -3.82 3.86 -0.48 -1.94 115.15 114.04 2fj6 h HIS 6 Ca 0.19 -0.26 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2fj6 h HIS 6 Cb 0.00 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.18 2fj6 h HIS 6 CO -0.06 1.05 0.05 -0.92 0.86 0.00 0.00 177.93 178.91 2fj6 h TYR 7 N 0.78 0.08 -0.39 2.45 3.20 -0.97 0.31 116.97 122.42 2fj6 h TYR 7 Ca 0.10 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2fj6 h TYR 7 Cb 0.81 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2fj6 h TYR 7 CO 0.05 -0.01 0.27 1.25 -1.64 0.00 0.00 178.16 178.08 2fj6 h LEU 8 N 0.17 0.30 -2.59 2.82 5.85 -1.09 -0.35 115.31 120.42 2fj6 h LEU 8 Ca 0.18 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2fj6 h LEU 8 Cb 0.21 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2fj6 h LEU 8 CO -0.25 0.21 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.98 2fj6 h LEU 9 N 0.35 0.00 -1.26 2.25 3.38 0.42 -1.13 115.31 119.31 2fj6 h LEU 9 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2fj6 h LEU 9 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2fj6 h LEU 9 CO -0.04 0.01 -0.30 0.11 0.09 0.00 0.00 178.44 178.32 2fj6 h LYS 10 N 0.00 0.12 -0.40 1.13 1.57 -0.75 -1.28 116.57 116.96 2fj6 h LYS 10 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2fj6 h LYS 10 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2fj6 h LYS 10 CO 0.00 0.41 0.00 0.66 -0.57 0.00 0.00 179.45 179.95 2fj6 n TYR 11 N -4.15 0.53 0.00 -1.35 4.02 -0.43 -4.99 117.16 110.79 2fj6 n TYR 11 Ca -0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 2fj6 n TYR 11 Cb 0.37 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 2fj6 n TYR 11 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2fj6 n ARG 12 N 0.57 0.00 -2.71 -0.72 3.00 -0.48 -4.59 116.66 111.73 2fj6 n ARG 12 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.90 2fj6 n ARG 12 Cb 0.34 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.90 2fj6 n ARG 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2fj6 n HIS 13 N 3.63 -2.50 0.00 -0.14 1.44 -1.26 -4.15 115.22 112.24 2fj6 n HIS 13 Ca 0.00 -1.92 0.00 0.00 -2.01 0.00 0.00 57.72 53.79 2fj6 n HIS 13 Cb 0.00 1.58 0.00 0.00 0.12 0.00 0.00 29.99 31.69 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 0.05 0.00 -3.75 -1.40 -0.04 -1.26 -4.90 135.00 123.70 2fj6 n PRO 14 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 2fj6 n PRO 14 Cb 0.75 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.11 2fj6 n PRO 14 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2fj6 s LYS 15 N 0.20 2.72 0.67 0.54 1.02 -1.26 -5.09 119.74 118.54 2fj6 s LYS 15 Ca 0.00 -2.94 -0.13 0.00 0.02 0.00 0.00 55.97 52.92 2fj6 s LYS 15 Cb 0.00 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2fj6 s LYS 15 CO 0.00 -1.22 1.07 -1.25 -0.92 0.00 0.00 175.35 173.03 2fj6 s PRO 16 N -0.77 2.96 0.00 -1.68 0.04 -1.26 -4.96 135.00 129.33 2fj6 s PRO 16 Ca 0.22 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2fj6 s PRO 16 Cb -0.14 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2fj6 s PRO 16 CO -0.08 -1.09 0.00 0.36 0.04 0.00 0.00 177.00 176.23 2fj6 n LYS 17 N -2.79 0.00 -2.56 4.56 2.85 -1.26 -4.94 118.16 114.03 2fj6 n LYS 17 Ca 0.08 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.03 2fj6 n LYS 17 Cb 0.53 -0.16 -0.03 0.00 -0.65 0.00 0.00 35.03 34.72 2fj6 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2fj6 s ASP 18 N -2.13 6.53 0.27 -5.58 1.01 -1.26 -4.90 116.67 110.61 2fj6 s ASP 18 Ca 0.00 1.35 -0.01 0.00 0.71 0.00 0.00 52.55 54.60 2fj6 s ASP 18 Cb 0.00 -2.42 0.56 0.00 1.01 0.00 0.00 42.92 42.07 2fj6 s ASP 18 CO 0.00 -0.53 1.75 0.28 0.21 0.00 0.00 175.17 176.88 2fj6 h SER 19 N 0.94 0.46 -0.72 0.27 0.02 -2.00 0.14 113.55 112.66 2fj6 h SER 19 Ca -0.47 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2fj6 h SER 19 Cb 1.19 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 2fj6 h SER 19 CO 0.62 0.17 0.30 -0.29 -1.14 0.00 0.00 176.83 176.49 2fj6 h ILE 20 N 0.56 1.25 -0.08 3.27 2.10 -1.93 -2.05 117.51 120.63 2fj6 h ILE 20 Ca 0.47 -0.77 -0.00 0.00 1.08 0.00 0.00 64.86 65.64 2fj6 h ILE 20 Cb 0.72 0.36 -0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2fj6 h ILE 20 CO -0.40 0.31 0.03 0.28 -1.08 0.00 0.00 178.15 177.30 2fj6 h SER 21 N 1.07 0.11 -0.81 2.19 0.02 -1.37 -2.06 113.55 112.68 2fj6 h SER 21 Ca 0.25 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2fj6 h SER 21 Cb 0.19 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2fj6 h SER 21 CO -0.02 0.24 0.54 -0.33 -1.14 0.00 0.00 176.83 176.11 2fj6 h GLU 22 N -0.03 0.98 -0.79 3.45 5.08 -1.18 -1.19 114.58 120.90 2fj6 h GLU 22 Ca 0.03 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2fj6 h GLU 22 Cb 0.16 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2fj6 h GLU 22 CO -0.00 0.65 0.49 0.35 -1.00 0.00 0.00 179.01 179.50 2fj6 h PHE 23 N 1.00 1.03 -0.36 4.33 3.57 -1.07 -2.18 116.94 123.26 2fj6 h PHE 23 Ca 0.32 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.89 2fj6 h PHE 23 Cb 0.04 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 2fj6 h PHE 23 CO -0.00 0.68 0.02 0.00 -2.23 0.00 0.00 178.31 176.78 2fj6 h ALA 24 N 1.27 0.35 -0.26 2.41 0.00 -0.51 0.38 119.26 122.89 2fj6 h ALA 24 Ca 0.29 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2fj6 h ALA 24 Cb -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2fj6 h ALA 24 CO -0.06 -0.38 0.09 -0.91 0.00 0.00 0.00 179.25 177.99 2fj6 h ASN 25 N 0.13 0.10 -0.01 0.00 4.21 -1.14 -0.77 115.58 118.10 2fj6 h ASN 25 Ca 0.18 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 2fj6 h ASN 25 Cb 0.23 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2fj6 h ASN 25 CO -0.27 0.09 0.00 -0.61 -1.29 0.00 0.00 177.43 175.35 2fj6 h GLN 26 N 0.21 0.02 -0.27 0.81 5.75 -0.80 -2.63 115.11 118.20 2fj6 h GLN 26 Ca 0.11 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.69 2fj6 h GLN 26 Cb 0.08 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2fj6 h GLN 26 CO -0.12 0.16 0.20 0.00 -2.65 0.00 0.00 178.83 176.42 2fj6 h ALA 27 N 0.86 2.21 -0.29 3.38 0.00 -0.06 -0.09 119.26 125.27 2fj6 h ALA 27 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2fj6 h ALA 27 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2fj6 h ALA 27 CO -0.00 -0.34 0.20 -0.92 0.00 0.00 0.00 179.25 178.19 2fj6 h TYR 28 N 0.00 0.32 -0.00 0.00 3.20 -0.75 0.37 116.97 120.11 2fj6 h TYR 28 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2fj6 h TYR 28 Cb 0.52 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2fj6 h TYR 28 CO 0.00 0.19 -0.28 0.39 -1.64 0.00 0.00 178.16 176.82 2fj6 n GLU 29 N -4.49 0.30 -2.61 1.82 1.02 -0.06 -4.62 120.64 111.99 2fj6 n GLU 29 Ca 0.02 -0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.59 2fj6 n GLU 29 Cb 0.11 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.80 6.82 0.00 1.62 2.15 0.12 -4.76 116.67 119.83 2fj6 s ASP 30 Ca 0.18 -2.38 0.11 0.00 0.43 0.00 0.00 52.55 50.89 2fj6 s ASP 30 Cb 0.19 -2.56 0.64 0.00 -0.30 0.00 0.00 42.92 40.88 2fj6 s ASP 30 CO 0.59 -1.17 1.14 1.41 -0.17 0.00 0.00 175.17 176.96 2fj6 n HIS 31 N 8.20 0.00 0.48 -5.34 8.25 -1.26 -1.40 115.22 124.16 2fj6 n HIS 31 Ca 0.46 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 58.03 2fj6 n HIS 31 Cb 0.46 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 31.39 2fj6 n HIS 31 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fj6 n SER 32 N -1.07 0.50 -4.45 0.41 7.64 -1.26 -4.93 113.62 110.46 2fj6 n SER 32 Ca 0.08 -0.42 -0.55 0.00 1.01 0.00 0.00 58.87 58.98 2fj6 n SER 32 Cb 0.05 1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 64.55 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 -1.92 1.57 -1.29 1.43 -0.00 -0.49 -4.69 117.46 112.08 2fj6 n PHE 33 Ca 0.00 0.49 -0.11 0.00 -0.00 0.00 0.00 57.45 57.83 2fj6 n PHE 33 Cb 0.45 -2.44 -0.08 0.00 -0.00 0.00 0.00 39.48 37.41 2fj6 n PHE 33 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2fj6 n PRO 34 N 7.35 0.05 0.07 -7.13 -0.02 -1.26 -4.68 135.00 129.38 2fj6 n PRO 34 Ca 0.42 -1.03 0.04 0.00 -2.02 0.00 0.00 63.50 60.92 2fj6 n PRO 34 Cb 0.13 -2.76 0.46 0.00 -0.02 0.00 0.00 33.50 31.30 2fj6 n PRO 34 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2fj6 h LYS 35 N 10.50 0.39 -1.32 -0.52 1.57 -1.95 -2.47 116.57 122.76 2fj6 h LYS 35 Ca 0.02 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 58.07 2fj6 h LYS 35 Cb 0.96 -0.08 -0.28 0.00 0.08 0.00 0.00 32.23 32.91 2fj6 h LYS 35 CO 1.05 0.30 0.92 -2.37 -0.57 0.00 0.00 179.45 178.78 2fj6 n THR 36 N -4.45 3.60 0.00 -0.16 5.66 -1.26 -4.81 114.28 112.86 2fj6 n THR 36 Ca 0.01 -3.30 0.00 0.00 -3.05 0.00 0.00 64.05 57.71 2fj6 n THR 36 Cb 0.10 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 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 -0.75 0.00 -3.63 1.09 2.88 -0.93 -5.14 113.62 107.15 2fj6 n SER 37 Ca 0.59 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.86 2fj6 n SER 37 Cb 0.53 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.48 0.09 -0.09 2.46 -1.32 -1.26 -4.67 115.64 110.37 2fj6 s THR 38 Ca 0.00 -0.44 -0.04 0.00 -1.21 0.00 0.00 61.69 60.00 2fj6 s THR 38 Cb 0.00 -0.81 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 2fj6 s THR 38 CO 0.00 -0.39 0.20 -0.62 -2.21 0.00 0.00 174.62 171.60 2fj6 s ASP 39 N 2.05 -0.04 0.09 8.08 -1.08 -1.26 -5.05 116.67 119.46 2fj6 s ASP 39 Ca 0.03 0.42 -0.29 0.00 -0.52 0.00 0.00 52.55 52.19 2fj6 s ASP 39 Cb -0.16 0.33 -0.15 0.00 -1.46 0.00 0.00 42.92 41.47 2fj6 s ASP 39 CO -0.16 -0.17 1.66 0.22 0.52 0.00 0.00 175.17 177.24 2fj6 h TYR 40 N 7.44 -0.56 0.08 -5.34 3.20 -1.99 0.55 116.97 120.35 2fj6 h TYR 40 Ca -0.37 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 2fj6 h TYR 40 Cb 1.14 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.61 2fj6 h TYR 40 CO 0.40 -0.33 -0.04 1.25 -1.64 0.00 0.00 178.16 177.79 2fj6 h HIS 41 N -0.54 -0.10 0.16 -3.82 2.76 -1.98 0.23 115.15 111.86 2fj6 h HIS 41 Ca -0.04 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2fj6 h HIS 41 Cb 0.45 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2fj6 h HIS 41 CO -0.09 0.05 -0.08 1.49 -1.30 0.00 0.00 177.93 178.00 2fj6 h GLU 42 N -0.22 -0.21 -0.39 5.26 4.81 -1.98 -2.48 114.58 119.37 2fj6 h GLU 42 Ca -0.01 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2fj6 h GLU 42 Cb 0.18 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2fj6 h GLU 42 CO 0.02 -0.06 -0.11 0.82 -0.73 0.00 0.00 179.01 178.95 2fj6 h ILE 43 N -0.32 1.28 -0.92 2.32 2.04 -0.92 -2.72 117.51 118.27 2fj6 h ILE 43 Ca -0.02 -1.20 0.16 0.00 1.00 0.00 0.00 64.86 64.79 2fj6 h ILE 43 Cb 0.25 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.48 2fj6 h ILE 43 CO 0.04 0.40 0.51 0.77 0.00 0.00 0.00 178.15 179.87 2fj6 h SER 44 N 0.58 0.65 -0.49 1.72 4.64 -0.52 0.12 113.55 120.24 2fj6 h SER 44 Ca 0.10 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 2fj6 h SER 44 Cb 0.64 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2fj6 h SER 44 CO 0.04 0.27 0.19 0.28 -0.87 0.00 0.00 176.83 176.73 2fj6 h SER 45 N 0.71 0.69 -0.89 4.97 0.02 -1.27 0.46 113.55 118.25 2fj6 h SER 45 Ca 0.51 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2fj6 h SER 45 Cb 0.72 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2fj6 h SER 45 CO -0.36 0.68 0.58 0.22 -1.14 0.00 0.00 176.83 176.81 2fj6 h TYR 46 N 0.65 1.12 -0.07 3.45 5.03 -0.58 0.56 116.97 127.14 2fj6 h TYR 46 Ca 0.16 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 2fj6 h TYR 46 Cb 0.21 -0.38 0.01 0.00 1.55 0.00 0.00 36.73 38.12 2fj6 h TYR 46 CO 0.01 0.71 -0.51 -0.07 -1.32 0.00 0.00 178.16 176.97 2fj6 h LEU 47 N 1.20 0.57 -0.63 2.82 3.38 -0.47 -2.03 115.31 120.16 2fj6 h LEU 47 Ca 0.32 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2fj6 h LEU 47 Cb -0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2fj6 h LEU 47 CO -0.07 1.16 0.20 -0.33 0.09 0.00 0.00 178.44 179.49 2fj6 h GLU 48 N 0.02 0.98 -0.44 1.13 5.08 0.30 -2.54 114.58 119.10 2fj6 h GLU 48 Ca -0.05 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2fj6 h GLU 48 Cb 1.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2fj6 h GLU 48 CO 0.10 0.86 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.85 2fj6 h LEU 49 N 0.90 0.74 -9.00 1.33 3.38 0.07 -3.41 115.31 109.33 2fj6 h LEU 49 Ca 0.20 -0.20 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 2fj6 h LEU 49 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2fj6 h LEU 49 CO -0.01 0.84 1.22 0.21 0.09 0.00 0.00 178.44 180.79 2fj6 s ASN 50 N -6.68 6.14 0.58 -0.43 3.84 -0.76 -4.84 114.94 112.79 2fj6 s ASN 50 Ca -0.09 1.61 0.28 0.00 0.21 0.00 0.00 52.86 54.87 2fj6 s ASN 50 Cb 0.14 -2.53 1.70 0.00 -0.55 0.00 0.00 41.25 40.01 2fj6 s ASN 50 CO 0.81 -1.46 2.17 0.00 -2.79 0.00 0.00 177.10 175.83 2fj6 h ALA 51 N 11.83 1.71 -0.14 1.71 0.00 -1.81 0.53 119.26 133.09 2fj6 h ALA 51 Ca -0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2fj6 h ALA 51 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2fj6 h ALA 51 CO 1.00 -0.16 -0.01 -0.44 0.00 0.00 0.00 179.25 179.64 2fj6 h ASP 52 N 0.00 0.25 0.23 0.00 5.19 -1.88 -3.15 116.42 117.06 2fj6 h ASP 52 Ca 0.05 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2fj6 h ASP 52 Cb 0.26 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2fj6 h ASP 52 CO -0.00 0.52 -0.37 -1.22 -3.12 0.00 0.00 179.24 175.05 2fj6 n TYR 53 N -4.75 0.00 -0.35 4.55 4.01 -0.65 -4.23 117.16 115.75 2fj6 n TYR 53 Ca -0.06 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.85 2fj6 n TYR 53 Cb 0.23 -0.12 0.37 0.00 -0.31 0.00 0.00 39.34 39.51 2fj6 n TYR 53 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2fj6 h LEU 54 N 1.12 0.70 -4.24 7.72 5.85 0.07 0.28 115.31 126.81 2fj6 h LEU 54 Ca 0.00 0.12 -0.60 0.00 0.84 0.00 0.00 57.88 58.23 2fj6 h LEU 54 Cb 0.54 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.34 2fj6 h LEU 54 CO 0.00 0.17 0.76 1.41 -0.34 0.00 0.00 178.44 180.44 2fj6 n HIS 55 N -4.82 2.58 -1.18 1.25 8.25 -1.26 -3.86 115.22 116.18 2fj6 n HIS 55 Ca 0.25 -2.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.24 2fj6 n HIS 55 Cb 0.69 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2fj6 n HIS 55 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2fj6 n THR 56 N -0.29 0.00 -0.32 1.59 -1.04 0.99 -4.87 114.28 110.34 2fj6 n THR 56 Ca 0.52 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.67 2fj6 n THR 56 Cb 0.52 1.48 0.38 0.00 -1.82 0.00 0.00 70.33 70.88 2fj6 n THR 56 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2fj6 h MET 57 N 0.00 0.65 -0.62 -2.82 2.86 -1.66 0.14 114.93 113.48 2fj6 h MET 57 Ca 0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2fj6 h MET 57 Cb 0.59 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2fj6 h MET 57 CO 0.00 0.43 0.37 0.00 1.06 0.00 0.00 176.91 178.77 2fj6 h ALA 58 N 1.62 0.81 -0.08 6.32 0.00 -1.90 0.20 119.26 126.22 2fj6 h ALA 58 Ca 0.53 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 2fj6 h ALA 58 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2fj6 h ALA 58 CO -0.30 0.10 -0.31 1.15 0.00 0.00 0.00 179.25 179.90 2fj6 h THR 59 N 0.73 1.41 -0.11 0.00 2.02 -1.30 -2.71 112.91 112.95 2fj6 h THR 59 Ca 0.25 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.78 2fj6 h THR 59 Cb 0.05 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2fj6 h THR 59 CO -0.11 0.49 -0.06 0.15 0.37 0.00 0.00 175.52 176.36 2fj6 h PHE 60 N -0.12 -0.13 -0.39 3.16 3.57 -0.61 0.41 116.94 122.82 2fj6 h PHE 60 Ca -0.02 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2fj6 h PHE 60 Cb 0.94 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 2fj6 h PHE 60 CO 0.12 -0.09 -0.01 0.22 -2.23 0.00 0.00 178.31 176.32 2fj6 h ASP 61 N -0.05 -0.18 -0.56 0.41 3.58 -0.68 0.20 116.42 119.15 2fj6 h ASP 61 Ca 0.06 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2fj6 h ASP 61 Cb 0.14 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2fj6 h ASP 61 CO -0.14 -0.05 0.19 -0.08 -2.88 0.00 0.00 179.24 176.28 2fj6 h GLU 62 N 0.09 0.86 -0.20 0.28 4.57 -1.10 -1.51 114.58 117.59 2fj6 h GLU 62 Ca 0.19 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2fj6 h GLU 62 Cb 0.27 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2fj6 h GLU 62 CO -0.32 0.77 0.12 0.00 -1.18 0.00 0.00 179.01 178.40 2fj6 h ALA 63 N 1.05 0.25 -0.42 2.92 0.00 0.64 -2.10 119.26 121.60 2fj6 h ALA 63 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2fj6 h ALA 63 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2fj6 h ALA 63 CO -0.01 -0.25 0.18 2.35 0.00 0.00 0.00 179.25 181.52 2fj6 h TRP 64 N 0.25 0.32 -0.83 0.00 2.91 -0.47 0.23 115.95 118.37 2fj6 h TRP 64 Ca 0.07 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.25 2fj6 h TRP 64 Cb 0.00 -0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 28.48 2fj6 h TRP 64 CO -0.06 0.15 0.41 -0.44 -1.03 0.00 0.00 178.44 177.47 2fj6 h ASP 65 N 0.37 0.49 -0.18 2.65 3.32 -0.91 0.66 116.42 122.81 2fj6 h ASP 65 Ca 0.19 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 2fj6 h ASP 65 Cb 0.14 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2fj6 h ASP 65 CO -0.17 0.21 -0.38 -0.61 -1.72 0.00 0.00 179.24 176.58 2fj6 h GLN 66 N 0.60 0.58 0.28 3.56 5.75 -0.64 -2.30 115.11 122.95 2fj6 h GLN 66 Ca 0.45 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2fj6 h GLN 66 Cb 0.63 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 2fj6 h GLN 66 CO -0.36 0.99 -0.44 -0.92 -2.65 0.00 0.00 178.83 175.46 2fj6 h TYR 67 N 0.25 -1.21 -0.77 3.99 3.20 0.71 -1.39 116.97 121.73 2fj6 h TYR 67 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2fj6 h TYR 67 Cb 0.98 0.49 -0.07 0.00 1.54 0.00 0.00 36.73 39.67 2fj6 h TYR 67 CO 0.09 -0.56 0.43 1.49 -1.64 0.00 0.00 178.16 177.97 2fj6 h GLU 68 N -0.78 0.72 -0.32 1.82 4.81 -1.00 -0.18 114.58 119.64 2fj6 h GLU 68 Ca -0.01 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2fj6 h GLU 68 Cb 0.74 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2fj6 h GLU 68 CO -0.15 0.47 0.24 1.03 -0.73 0.00 0.00 179.01 179.87 2fj6 h SER 69 N 0.74 0.00 0.81 1.04 0.87 -0.80 1.90 113.55 118.12 2fj6 h SER 69 Ca 0.37 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.68 2fj6 h SER 69 Cb 0.32 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 2fj6 h SER 69 CO -0.23 0.00 -1.23 -0.33 -0.53 0.00 0.00 176.83 174.51 2fj6 h GLU 70 N 0.00 0.03 0.00 2.24 4.39 0.02 -3.29 114.58 117.97 2fj6 h GLU 70 Ca 0.15 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2fj6 h GLU 70 Cb 0.63 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2fj6 h GLU 70 CO -0.00 0.89 -1.01 0.28 -1.16 0.00 0.00 179.01 178.01 2fj6 n VAL 71 N -3.29 0.35 1.13 3.13 0.31 -0.36 -3.79 118.33 115.81 2fj6 n VAL 71 Ca -0.06 -0.38 0.13 0.00 -0.01 0.00 0.00 64.34 64.03 2fj6 n VAL 71 Cb 0.98 -0.07 0.63 0.00 -0.91 0.00 0.00 33.84 34.47 2fj6 n VAL 71 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2fj6 n HIS 72 N -2.26 0.00 -0.26 3.52 -0.00 0.63 -3.77 115.22 113.08 2fj6 n HIS 72 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.79 2fj6 n HIS 72 Cb 0.49 -0.37 0.19 0.00 -0.00 0.00 0.00 29.99 30.30 2fj6 n HIS 72 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2fj6 h GLY 73 N 4.50 1.18 -2.45 1.57 0.00 -1.65 -3.41 103.07 102.81 2fj6 h GLY 73 Ca 0.00 -0.15 -0.46 0.00 0.00 0.00 0.00 47.33 46.72 2fj6 h GLY 73 CO 0.00 -0.10 0.25 1.09 0.00 0.00 0.00 176.54 177.78 2fj6 s ARG 74 N -6.01 4.17 -0.29 4.80 1.70 -1.25 -4.97 118.95 117.11 2fj6 s ARG 74 Ca -0.12 0.97 0.11 0.00 -0.47 0.00 0.00 55.73 56.22 2fj6 s ARG 74 Cb 0.21 -2.32 0.66 0.00 -0.57 0.00 0.00 34.95 32.92 2fj6 s ARG 74 CO 0.76 0.07 1.66 1.47 -1.08 0.00 0.00 175.30 178.18 2fj6 n LEU 75 N -0.43 5.26 0.00 -1.89 -0.00 -1.26 -4.95 117.00 113.73 2fj6 n LEU 75 Ca 0.05 -3.28 0.00 0.00 -0.00 0.00 0.00 56.01 52.78 2fj6 n LEU 75 Cb 0.53 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2fj6 n LEU 75 CO 0.39 0.86 0.00 -0.62 -0.00 0.00 0.00 177.39 178.02 2fj6 n GLU 76 N -0.43 0.00 -2.78 1.47 1.02 -1.26 -4.86 120.64 113.80 2fj6 n GLU 76 Ca 0.35 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.23 2fj6 n GLU 76 Cb 1.22 -0.02 -0.00 0.00 -0.02 0.00 0.00 31.44 32.62 2fj6 n GLU 76 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fj6 s HIS 77 N 0.00 3.53 -0.44 -0.32 3.76 -1.26 -4.98 115.29 115.59 2fj6 s HIS 77 Ca 0.00 0.70 0.06 0.00 -0.15 0.00 0.00 55.06 55.67 2fj6 s HIS 77 Cb 0.00 -2.24 0.44 0.00 1.11 0.00 0.00 32.58 31.90 2fj6 s HIS 77 CO 0.00 -0.22 1.36 -2.39 -0.85 0.00 0.00 174.74 172.63 2fj6 n HIS 78 N -2.18 1.45 -1.50 1.40 1.44 -1.26 -4.97 115.22 109.61 2fj6 n HIS 78 Ca -0.00 -0.78 0.00 0.00 -2.01 0.00 0.00 57.72 54.93 2fj6 n HIS 78 Cb 0.55 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.19 2fj6 n HIS 78 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2fj6 n HIS 79 N 0.03 -2.82 0.00 -1.40 -0.00 -1.26 -5.08 115.22 104.69 2fj6 n HIS 79 Ca 0.24 1.69 0.00 0.00 0.46 0.00 0.00 57.72 60.11 2fj6 n HIS 79 Cb 0.96 -2.99 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 2fj6 n HIS 79 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2fj6 n HIS 80 N 1.07 0.00 0.00 1.57 8.25 -1.26 -5.09 115.22 119.77 2fj6 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2fj6 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -0.84 1.15 4.41 -0.00 -1.26 -5.31 115.22 113.38 2fj6 n HIS 81 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 2fj6 n HIS 81 Cb 0.00 0.17 0.23 0.00 -0.00 0.00 0.00 29.99 30.38 2fj6 n HIS 81 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95