#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 0.06 0.00 0.03 2.85 -1.26 -5.14 118.16 114.70 2fj6 n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2fj6 n LYS 2 Cb 0.00 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2fj6 n LYS 2 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2fj6 n SER 3 N 0.00 0.00 -0.20 -5.58 2.88 -1.26 -4.58 113.62 104.88 2fj6 n SER 3 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2fj6 n SER 3 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 2fj6 n SER 3 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2fj6 h PHE 4 N 0.00 0.56 -0.40 0.66 3.57 -1.90 0.16 116.94 119.60 2fj6 h PHE 4 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2fj6 h PHE 4 Cb 0.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2fj6 h PHE 4 CO 0.00 0.26 0.25 -0.92 -2.23 0.00 0.00 178.31 175.67 2fj6 h TYR 5 N 0.58 0.47 -0.46 0.41 5.03 -1.91 0.23 116.97 121.32 2fj6 h TYR 5 Ca 0.27 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.51 2fj6 h TYR 5 Cb 0.19 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2fj6 h TYR 5 CO -0.10 0.28 -0.04 0.45 -1.32 0.00 0.00 178.16 177.44 2fj6 h HIS 6 N 0.51 0.93 -0.34 -3.82 3.86 -1.68 0.24 115.15 114.85 2fj6 h HIS 6 Ca 0.15 -0.18 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2fj6 h HIS 6 Cb -0.03 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 2fj6 h HIS 6 CO -0.06 0.90 0.13 -0.92 0.86 0.00 0.00 177.93 178.85 2fj6 h TYR 7 N 0.69 0.24 0.00 2.45 3.20 -0.36 0.25 116.97 123.44 2fj6 h TYR 7 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2fj6 h TYR 7 Cb 0.56 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2fj6 h TYR 7 CO 0.04 0.11 -0.00 1.25 -1.64 0.00 0.00 178.16 177.92 2fj6 h LEU 8 N 0.29 0.00 -2.52 2.82 5.85 -0.16 -0.78 115.31 120.81 2fj6 h LEU 8 Ca 0.15 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2fj6 h LEU 8 Cb 0.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2fj6 h LEU 8 CO -0.14 0.00 0.04 -0.07 -0.34 0.00 0.00 178.44 177.94 2fj6 h LEU 9 N 0.00 0.00 -1.43 2.25 3.38 0.30 0.37 115.31 120.18 2fj6 h LEU 9 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2fj6 h LEU 9 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fj6 h LEU 9 CO 0.00 0.00 -0.11 0.50 0.09 0.00 0.00 178.44 178.92 2fj6 h LYS 10 N 0.00 0.00 -1.74 1.13 3.64 -0.99 -2.74 116.57 115.87 2fj6 h LYS 10 Ca 0.01 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.79 2fj6 h LYS 10 Cb 0.09 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.69 2fj6 h LYS 10 CO -0.00 0.11 0.72 0.66 -2.27 0.00 0.00 179.45 178.66 2fj6 n TYR 11 N -3.28 2.37 -0.77 1.91 4.02 0.13 -5.01 117.16 116.52 2fj6 n TYR 11 Ca -0.00 -2.28 -0.24 0.00 -0.01 0.00 0.00 57.90 55.37 2fj6 n TYR 11 Cb 0.34 -1.27 0.01 0.00 -0.02 0.00 0.00 39.34 38.40 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 -0.02 0.00 -0.07 -0.72 3.00 -1.04 -4.65 116.66 113.16 2fj6 n ARG 12 Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.24 2fj6 n ARG 12 Cb 0.47 -0.62 -0.05 0.00 0.00 0.00 0.00 32.46 32.25 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2fj6 h HIS 13 N -0.06 0.44 -1.60 -0.14 -0.00 -1.89 -3.44 115.15 108.46 2fj6 h HIS 13 Ca -0.26 -0.08 -0.69 0.00 -0.00 0.00 0.00 60.37 59.34 2fj6 h HIS 13 Cb 0.90 -0.11 0.05 0.00 -0.00 0.00 0.00 27.41 28.25 2fj6 h HIS 13 CO 0.14 0.60 0.44 -2.30 -0.00 0.00 0.00 177.93 176.81 2fj6 n PRO 14 N -4.65 1.03 -3.50 5.26 -0.02 -1.26 -2.79 135.00 129.07 2fj6 n PRO 14 Ca -0.04 0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 2fj6 n PRO 14 Cb 0.25 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2fj6 n PRO 14 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2fj6 n LYS 15 N 2.58 -1.53 0.00 -0.52 4.76 -1.26 -5.00 118.16 117.18 2fj6 n LYS 15 Ca 0.19 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 2fj6 n LYS 15 Cb 0.18 -4.68 0.00 0.00 -1.84 0.00 0.00 35.03 28.68 2fj6 n LYS 15 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2fj6 n PRO 16 N -3.60 0.00 0.00 1.97 -0.04 -1.12 -4.86 135.00 127.36 2fj6 n PRO 16 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2fj6 n PRO 16 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 2fj6 n PRO 16 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2fj6 n LYS 17 N 0.00 0.00 -2.92 0.54 5.02 -1.26 -4.94 118.16 114.60 2fj6 n LYS 17 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2fj6 n LYS 17 Cb 0.00 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 2fj6 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2fj6 s ASP 18 N -0.78 7.34 0.21 4.39 1.11 -1.26 -4.88 116.67 122.80 2fj6 s ASP 18 Ca 0.00 1.69 -0.09 0.00 0.18 0.00 0.00 52.55 54.33 2fj6 s ASP 18 Cb 0.00 -2.52 0.28 0.00 1.07 0.00 0.00 42.92 41.76 2fj6 s ASP 18 CO 0.00 0.09 1.75 0.28 1.18 0.00 0.00 175.17 178.47 2fj6 h SER 19 N 3.80 0.24 -0.39 0.27 0.02 -1.98 1.30 113.55 116.82 2fj6 h SER 19 Ca -0.47 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 2fj6 h SER 19 Cb 1.20 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2fj6 h SER 19 CO 0.66 0.14 0.04 -0.29 -1.14 0.00 0.00 176.83 176.24 2fj6 h ILE 20 N 0.42 1.25 -0.51 3.27 2.10 -1.93 -2.53 117.51 119.58 2fj6 h ILE 20 Ca 0.31 -0.92 -0.08 0.00 1.08 0.00 0.00 64.86 65.25 2fj6 h ILE 20 Cb 0.38 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 2fj6 h ILE 20 CO -0.31 0.31 -0.01 0.77 -1.08 0.00 0.00 178.15 177.84 2fj6 h SER 21 N 0.49 0.84 -0.96 2.19 4.64 -1.60 -2.49 113.55 116.66 2fj6 h SER 21 Ca 0.11 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2fj6 h SER 21 Cb 0.41 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 2fj6 h SER 21 CO 0.01 0.91 0.62 -0.33 -0.87 0.00 0.00 176.83 177.17 2fj6 h GLU 22 N 0.80 1.08 -0.49 4.77 4.39 0.19 0.30 114.58 125.62 2fj6 h GLU 22 Ca 0.15 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2fj6 h GLU 22 Cb 0.49 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2fj6 h GLU 22 CO 0.02 0.71 0.27 0.35 -1.16 0.00 0.00 179.01 179.21 2fj6 h PHE 23 N 1.11 0.66 -0.68 4.33 3.57 -1.03 -2.21 116.94 122.68 2fj6 h PHE 23 Ca 0.41 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.93 2fj6 h PHE 23 Cb 0.19 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 2fj6 h PHE 23 CO -0.00 0.48 0.43 0.00 -2.23 0.00 0.00 178.31 176.99 2fj6 h ALA 24 N 1.12 0.89 -0.44 2.41 0.00 -0.47 -1.17 119.26 121.58 2fj6 h ALA 24 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2fj6 h ALA 24 Cb 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2fj6 h ALA 24 CO -0.03 0.20 0.11 -0.91 0.00 0.00 0.00 179.25 178.62 2fj6 h ASN 25 N 0.84 0.06 0.10 0.00 4.21 0.04 0.63 115.58 121.45 2fj6 h ASN 25 Ca 0.27 0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.84 2fj6 h ASN 25 Cb 0.01 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2fj6 h ASN 25 CO -0.10 0.07 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.45 2fj6 h GLN 26 N 0.26 -0.13 -0.32 0.81 5.75 -1.00 -2.36 115.11 118.12 2fj6 h GLN 26 Ca 0.21 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 2fj6 h GLN 26 Cb 0.25 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2fj6 h GLN 26 CO -0.26 0.02 0.22 0.00 -2.65 0.00 0.00 178.83 176.16 2fj6 h ALA 27 N 0.64 2.03 0.00 3.38 0.00 -0.69 -0.49 119.26 124.14 2fj6 h ALA 27 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2fj6 h ALA 27 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2fj6 h ALA 27 CO 0.02 -0.10 -0.06 -0.92 0.00 0.00 0.00 179.25 178.20 2fj6 h TYR 28 N 0.21 0.00 -0.03 0.00 3.20 0.79 -0.23 116.97 120.91 2fj6 h TYR 28 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2fj6 h TYR 28 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2fj6 h TYR 28 CO -0.00 0.06 0.00 0.39 -1.64 0.00 0.00 178.16 176.96 2fj6 n GLU 29 N -3.96 1.38 0.00 1.82 1.02 -0.19 -4.86 120.64 115.85 2fj6 n GLU 29 Ca -0.03 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 2fj6 n GLU 29 Cb 0.14 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2fj6 n GLU 29 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fj6 n ASP 30 N -0.30 -0.03 0.00 1.62 -0.08 -0.10 -5.02 116.55 112.65 2fj6 n ASP 30 Ca 0.19 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 2fj6 n ASP 30 Cb 0.24 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.70 2fj6 n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fj6 n HIS 31 N -1.20 0.00 1.21 -0.67 1.44 -1.26 -4.93 115.22 109.80 2fj6 n HIS 31 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 2fj6 n HIS 31 Cb 0.00 0.00 0.28 0.00 0.12 0.00 0.00 29.99 30.39 2fj6 n HIS 31 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fj6 n SER 32 N -0.08 1.64 -4.58 4.39 3.41 -1.26 -4.95 113.62 112.19 2fj6 n SER 32 Ca 0.00 -1.33 -0.45 0.00 -0.26 0.00 0.00 58.87 56.83 2fj6 n SER 32 Cb 0.00 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.05 1.22 -0.51 7.33 -0.00 -1.26 -4.75 117.46 119.44 2fj6 n PHE 33 Ca 0.13 0.70 -0.13 0.00 -0.00 0.00 0.00 57.45 58.15 2fj6 n PHE 33 Cb 0.41 -2.25 -0.03 0.00 -0.00 0.00 0.00 39.48 37.62 2fj6 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2fj6 n PRO 34 N 0.94 1.36 0.23 -7.13 -0.04 -1.26 -4.57 135.00 124.53 2fj6 n PRO 34 Ca 0.11 -1.00 0.18 0.00 -0.04 0.00 0.00 63.50 62.74 2fj6 n PRO 34 Cb 0.30 -2.17 0.87 0.00 -0.04 0.00 0.00 33.50 32.47 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 6.23 0.00 -1.06 0.54 2.10 -1.94 -0.68 116.57 121.75 2fj6 h LYS 35 Ca 0.29 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.47 2fj6 h LYS 35 Cb 0.25 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.33 2fj6 h LYS 35 CO 1.08 0.00 0.60 -2.37 -2.00 0.00 0.00 179.45 176.76 2fj6 n THR 36 N -3.63 2.99 0.00 0.07 5.66 -1.26 -4.80 114.28 113.31 2fj6 n THR 36 Ca 0.01 -1.89 0.00 0.00 -3.05 0.00 0.00 64.05 59.12 2fj6 n THR 36 Cb 0.30 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 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 -0.72 0.00 -3.92 1.09 2.88 -0.26 -5.14 113.62 107.56 2fj6 n SER 37 Ca 0.50 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.74 2fj6 n SER 37 Cb 1.17 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.47 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 1.44 -0.08 2.46 -1.32 -1.26 -4.74 115.64 112.14 2fj6 s THR 38 Ca 0.00 -1.23 -0.04 0.00 -1.21 0.00 0.00 61.69 59.22 2fj6 s THR 38 Cb 0.00 -1.77 0.04 0.00 -1.51 0.00 0.00 72.50 69.27 2fj6 s THR 38 CO 0.00 -0.16 0.18 -0.62 -2.21 0.00 0.00 174.62 171.80 2fj6 s ASP 39 N 1.42 -0.03 0.26 8.08 2.15 -1.26 -4.98 116.67 122.31 2fj6 s ASP 39 Ca -0.04 0.37 -0.05 0.00 0.43 0.00 0.00 52.55 53.27 2fj6 s ASP 39 Cb -0.19 0.28 0.50 0.00 -0.30 0.00 0.00 42.92 43.21 2fj6 s ASP 39 CO -0.07 -0.17 1.63 0.22 -0.17 0.00 0.00 175.17 176.61 2fj6 h TYR 40 N 7.41 0.02 -0.12 -5.34 3.20 -1.98 1.02 116.97 121.17 2fj6 h TYR 40 Ca -0.38 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 2fj6 h TYR 40 Cb 1.14 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2fj6 h TYR 40 CO 0.41 -0.24 0.05 1.25 -1.64 0.00 0.00 178.16 177.98 2fj6 h HIS 41 N 0.12 0.18 0.08 -3.82 2.76 -1.98 0.35 115.15 112.84 2fj6 h HIS 41 Ca 0.45 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2fj6 h HIS 41 Cb 0.82 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2fj6 h HIS 41 CO -0.40 0.27 -0.04 1.49 -1.30 0.00 0.00 177.93 177.95 2fj6 h GLU 42 N 0.05 -0.10 -0.06 5.26 4.81 -1.27 -2.09 114.58 121.17 2fj6 h GLU 42 Ca 0.04 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2fj6 h GLU 42 Cb 0.16 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2fj6 h GLU 42 CO -0.00 0.02 0.02 0.82 -0.73 0.00 0.00 179.01 179.14 2fj6 h ILE 43 N -0.20 1.16 -0.95 2.32 1.08 0.97 -2.37 117.51 119.52 2fj6 h ILE 43 Ca -0.01 -0.49 0.19 0.00 -0.39 0.00 0.00 64.86 64.16 2fj6 h ILE 43 Cb 0.17 1.37 -0.11 0.00 -3.07 0.00 0.00 36.82 35.18 2fj6 h ILE 43 CO 0.02 0.14 0.53 -1.28 -0.69 0.00 0.00 178.15 176.87 2fj6 h SER 44 N -0.08 0.63 -0.69 1.72 0.87 -0.29 0.24 113.55 115.95 2fj6 h SER 44 Ca 0.02 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2fj6 h SER 44 Cb 0.20 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2fj6 h SER 44 CO -0.00 0.19 0.17 -1.28 -0.53 0.00 0.00 176.83 175.37 2fj6 h SER 45 N 0.64 1.06 -0.59 6.23 0.87 -1.11 -0.68 113.55 119.97 2fj6 h SER 45 Ca 0.56 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2fj6 h SER 45 Cb 0.93 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2fj6 h SER 45 CO -0.42 1.02 0.39 0.22 -0.53 0.00 0.00 176.83 177.51 2fj6 h TYR 46 N 1.06 0.73 -0.00 2.24 3.20 -0.04 0.56 116.97 124.71 2fj6 h TYR 46 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2fj6 h TYR 46 Cb 0.37 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2fj6 h TYR 46 CO 0.03 0.46 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.89 2fj6 h LEU 47 N 0.79 0.05 -2.10 2.82 3.38 -0.87 -3.19 115.31 116.19 2fj6 h LEU 47 Ca 0.22 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2fj6 h LEU 47 Cb -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2fj6 h LEU 47 CO -0.05 0.78 -0.07 -0.33 0.09 0.00 0.00 178.44 178.86 2fj6 h GLU 48 N -0.68 0.00 0.00 1.13 5.08 -0.82 -1.35 114.58 117.94 2fj6 h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fj6 h GLU 48 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2fj6 h GLU 48 CO 0.01 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 2fj6 n LEU 49 N -3.51 0.40 -3.53 1.33 4.77 0.19 -4.43 117.00 112.23 2fj6 n LEU 49 Ca -0.02 0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 2fj6 n LEU 49 Cb 0.20 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 2fj6 n LEU 49 CO 0.28 -0.59 -0.08 0.21 -1.33 0.00 0.00 177.39 175.88 2fj6 s ASN 50 N -3.74 0.30 0.63 -1.43 2.47 -0.51 -5.01 114.94 107.65 2fj6 s ASN 50 Ca 0.02 0.45 0.30 0.00 0.42 0.00 0.00 52.86 54.05 2fj6 s ASN 50 Cb 0.07 0.97 1.64 0.00 -1.45 0.00 0.00 41.25 42.48 2fj6 s ASN 50 CO 0.25 -0.27 1.98 0.00 -3.72 0.00 0.00 177.10 175.35 2fj6 h ALA 51 N 8.22 1.67 -0.20 1.71 0.00 -1.77 -0.42 119.26 128.47 2fj6 h ALA 51 Ca -0.17 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2fj6 h ALA 51 Cb 1.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2fj6 h ALA 51 CO 0.20 -0.42 0.19 -0.44 0.00 0.00 0.00 179.25 178.78 2fj6 h ASP 52 N 0.00 0.00 0.46 0.00 5.19 -1.95 -0.19 116.42 119.93 2fj6 h ASP 52 Ca 0.08 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2fj6 h ASP 52 Cb 0.73 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 2fj6 h ASP 52 CO -0.00 0.00 -1.62 -1.22 -3.12 0.00 0.00 179.24 173.28 2fj6 n TYR 53 N -4.02 0.53 -0.09 4.55 4.02 -0.17 -4.14 117.16 117.85 2fj6 n TYR 53 Ca 0.02 0.17 0.13 0.00 -0.01 0.00 0.00 57.90 58.21 2fj6 n TYR 53 Cb 0.32 -0.85 0.52 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.34 0.00 7.72 5.85 -1.03 0.97 115.31 129.16 2fj6 h LEU 54 Ca -0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2fj6 h LEU 54 Cb 1.32 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2fj6 h LEU 54 CO 0.02 0.20 0.00 1.41 -0.34 0.00 0.00 178.44 179.72 2fj6 n HIS 55 N -4.46 0.00 -1.58 1.25 8.25 -1.18 -2.38 115.22 115.11 2fj6 n HIS 55 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2fj6 n HIS 55 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2fj6 n HIS 55 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2fj6 n THR 56 N -0.70 0.00 -0.35 1.59 5.66 0.25 -4.89 114.28 115.84 2fj6 n THR 56 Ca 0.05 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.17 2fj6 n THR 56 Cb 0.03 0.54 0.30 0.00 -1.55 0.00 0.00 70.33 69.65 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 0.81 -0.64 1.09 -1.53 -0.93 0.21 114.93 113.94 2fj6 h MET 57 Ca 0.00 -0.05 0.06 0.00 -3.44 0.00 0.00 59.70 56.27 2fj6 h MET 57 Cb 1.10 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.93 2fj6 h MET 57 CO 0.00 0.53 0.42 0.00 0.14 0.00 0.00 176.91 178.01 2fj6 h ALA 58 N 1.61 1.77 -0.12 0.39 0.00 -1.89 -0.67 119.26 120.34 2fj6 h ALA 58 Ca 0.54 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.26 2fj6 h ALA 58 Cb 0.76 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2fj6 h ALA 58 CO -0.33 0.14 -0.65 1.15 0.00 0.00 0.00 179.25 179.56 2fj6 h THR 59 N 0.65 1.35 -0.02 0.00 2.02 -0.98 -2.75 112.91 113.18 2fj6 h THR 59 Ca 0.27 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 2fj6 h THR 59 Cb 0.25 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2fj6 h THR 59 CO -0.08 0.60 0.01 0.15 0.37 0.00 0.00 175.52 176.57 2fj6 h PHE 60 N 0.34 0.02 -0.66 3.16 3.57 -0.54 0.93 116.94 123.76 2fj6 h PHE 60 Ca -0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2fj6 h PHE 60 Cb 1.21 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 2fj6 h PHE 60 CO 0.04 0.14 0.29 -0.44 -2.23 0.00 0.00 178.31 176.11 2fj6 h ASP 61 N -0.10 0.33 -0.37 0.41 3.32 -1.27 0.31 116.42 119.04 2fj6 h ASP 61 Ca 0.01 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2fj6 h ASP 61 Cb 0.13 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2fj6 h ASP 61 CO -0.00 0.18 0.13 -0.08 -1.72 0.00 0.00 179.24 177.76 2fj6 h GLU 62 N 0.49 0.57 -0.33 3.56 4.22 -1.19 -1.27 114.58 120.63 2fj6 h GLU 62 Ca 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.66 2fj6 h GLU 62 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2fj6 h GLU 62 CO -0.30 0.56 0.21 0.00 -2.18 0.00 0.00 179.01 177.31 2fj6 h ALA 63 N 0.98 0.42 -0.50 2.92 0.00 0.24 -2.34 119.26 120.98 2fj6 h ALA 63 Ca 0.12 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2fj6 h ALA 63 Cb 0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2fj6 h ALA 63 CO -0.01 -0.10 0.17 2.35 0.00 0.00 0.00 179.25 181.67 2fj6 h TRP 64 N 0.44 0.30 -0.96 0.00 2.91 -0.22 0.76 115.95 119.18 2fj6 h TRP 64 Ca 0.12 0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.33 2fj6 h TRP 64 Cb -0.03 -0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 28.48 2fj6 h TRP 64 CO -0.05 0.09 0.61 0.22 -1.03 0.00 0.00 178.44 178.28 2fj6 h ASP 65 N 0.34 0.73 -0.13 2.65 3.58 -0.72 -0.23 116.42 122.65 2fj6 h ASP 65 Ca 0.24 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.61 2fj6 h ASP 65 Cb 0.27 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2fj6 h ASP 65 CO -0.25 0.32 -0.48 1.56 -2.88 0.00 0.00 179.24 177.51 2fj6 h GLN 66 N 0.75 0.55 0.13 0.28 1.08 -0.64 -2.57 115.11 114.69 2fj6 h GLN 66 Ca 0.51 -0.42 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2fj6 h GLN 66 Cb 0.80 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.27 2fj6 h GLN 66 CO -0.28 1.05 -0.43 -0.92 -0.95 0.00 0.00 178.83 177.30 2fj6 h TYR 67 N 0.17 -1.22 -0.44 2.96 3.20 0.72 -1.95 116.97 120.41 2fj6 h TYR 67 Ca -0.02 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2fj6 h TYR 67 Cb 1.11 0.52 -0.05 0.00 1.54 0.00 0.00 36.73 39.85 2fj6 h TYR 67 CO 0.11 -0.53 0.16 1.05 -1.64 0.00 0.00 178.16 177.30 2fj6 h GLU 68 N -0.68 0.32 -0.66 1.82 4.11 -1.23 -0.75 114.58 117.51 2fj6 h GLU 68 Ca 0.02 -0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.62 2fj6 h GLU 68 Cb 0.70 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2fj6 h GLU 68 CO -0.24 0.21 0.56 1.03 0.07 0.00 0.00 179.01 180.64 2fj6 h SER 69 N 0.33 0.00 0.00 3.06 0.87 -1.00 2.06 113.55 118.88 2fj6 h SER 69 Ca 0.20 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2fj6 h SER 69 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2fj6 h SER 69 CO -0.20 0.00 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.50 2fj6 h GLU 70 N 0.00 0.00 0.00 2.24 4.39 -0.42 -3.39 114.58 117.40 2fj6 h GLU 70 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2fj6 h GLU 70 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2fj6 h GLU 70 CO -0.00 0.54 -0.55 0.28 -1.16 0.00 0.00 179.01 178.12 2fj6 n VAL 71 N -4.64 0.33 1.57 3.13 0.31 -0.85 -3.77 118.33 114.41 2fj6 n VAL 71 Ca -0.10 -0.24 0.09 0.00 -0.01 0.00 0.00 64.34 64.08 2fj6 n VAL 71 Cb 0.33 -0.13 0.52 0.00 -0.91 0.00 0.00 33.84 33.65 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 -2.04 0.00 0.21 3.52 -0.00 0.69 -2.81 115.22 114.79 2fj6 n HIS 72 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.86 2fj6 n HIS 72 Cb 0.43 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.61 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 4.17 0.00 0.00 1.57 0.00 -1.75 -3.44 103.07 103.62 2fj6 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fj6 h GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2fj6 n ARG 74 N -3.13 1.41 -3.40 4.80 1.74 -1.12 -4.79 116.66 112.17 2fj6 n ARG 74 Ca 0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 2fj6 n ARG 74 Cb 0.55 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.05 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 -3.16 -0.69 0.55 7.99 -1.26 -4.82 117.00 115.61 2fj6 n LEU 75 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2fj6 n LEU 75 Cb 0.00 -2.99 0.00 0.00 -0.11 0.00 0.00 43.42 40.32 2fj6 n LEU 75 CO 0.00 0.51 0.21 -0.62 -1.51 0.00 0.00 177.39 175.98 2fj6 n GLU 76 N -4.65 0.59 -0.01 3.23 1.02 -1.26 -1.90 120.64 117.66 2fj6 n GLU 76 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2fj6 n GLU 76 Cb 0.58 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 2fj6 n GLU 76 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2fj6 n HIS 77 N 0.39 0.00 -1.99 -0.32 1.44 -1.26 -5.10 115.22 108.38 2fj6 n HIS 77 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 2fj6 n HIS 77 Cb 0.21 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.34 2fj6 n HIS 77 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2fj6 s HIS 78 N 0.00 2.63 -0.03 -1.40 -3.43 -0.80 -5.06 115.29 107.20 2fj6 s HIS 78 Ca 0.00 1.55 -0.25 0.00 -0.80 0.00 0.00 55.06 55.56 2fj6 s HIS 78 Cb 0.00 -3.23 0.05 0.00 -1.43 0.00 0.00 32.58 27.97 2fj6 s HIS 78 CO 0.00 -1.66 0.53 -3.38 -2.00 0.00 0.00 174.74 168.24 2fj6 s HIS 79 N -2.06 -0.47 0.56 0.38 -3.43 -1.26 -5.14 115.29 103.87 2fj6 s HIS 79 Ca 0.70 0.78 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 2fj6 s HIS 79 Cb -0.22 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2fj6 s HIS 79 CO 0.35 -0.52 0.00 1.58 -2.00 0.00 0.00 174.74 174.14 2fj6 n HIS 80 N 1.04 -3.70 -1.58 0.38 -0.00 -1.26 -4.22 115.22 105.89 2fj6 n HIS 80 Ca -0.20 2.01 -0.41 0.00 -0.00 0.00 0.00 57.72 59.12 2fj6 n HIS 80 Cb 0.57 -3.36 -0.01 0.00 -0.00 0.00 0.00 29.99 27.18 2fj6 n HIS 80 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2fj6 n HIS 81 N -4.25 3.13 -0.44 1.57 -0.00 -1.26 -5.28 115.22 108.69 2fj6 n HIS 81 Ca -0.07 -3.02 0.00 0.00 -0.00 0.00 0.00 57.72 54.62 2fj6 n HIS 81 Cb 0.66 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 2fj6 n HIS 81 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92