#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 -0.07 0.06 0.03 0.00 -1.26 -4.89 119.74 113.61 2fj6 s LYS 2 Ca 0.00 0.63 -0.32 0.00 0.00 0.00 0.00 55.97 56.29 2fj6 s LYS 2 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 37.83 36.05 2fj6 s LYS 2 CO 0.00 -3.10 1.87 0.43 0.00 0.00 0.00 175.35 174.56 2fj6 n SER 3 N -4.45 3.92 -0.26 0.03 7.64 -1.26 -4.80 113.62 114.43 2fj6 n SER 3 Ca 0.04 0.96 0.02 0.00 1.01 0.00 0.00 58.87 60.91 2fj6 n SER 3 Cb 0.56 -1.50 0.15 0.00 -1.01 0.00 0.00 64.21 62.41 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 9.14 0.72 -0.69 1.43 3.57 -1.88 0.24 116.94 129.47 2fj6 h PHE 4 Ca -0.48 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.09 2fj6 h PHE 4 Cb 1.24 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 2fj6 h PHE 4 CO 0.85 0.27 0.42 -0.92 -2.23 0.00 0.00 178.31 176.70 2fj6 h TYR 5 N 0.67 0.78 -0.02 0.41 3.20 -1.84 0.22 116.97 120.39 2fj6 h TYR 5 Ca 0.37 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 2fj6 h TYR 5 Cb 0.38 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2fj6 h TYR 5 CO -0.09 0.42 -0.00 0.45 -1.64 0.00 0.00 178.16 177.30 2fj6 h HIS 6 N 0.80 0.05 0.00 -3.82 3.86 -1.51 0.23 115.15 114.76 2fj6 h HIS 6 Ca 0.29 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.52 2fj6 h HIS 6 Cb 0.08 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 2fj6 h HIS 6 CO -0.05 0.39 -0.21 -0.92 0.86 0.00 0.00 177.93 177.99 2fj6 h TYR 7 N -0.30 -0.57 -0.26 2.45 5.03 -0.73 0.40 116.97 122.99 2fj6 h TYR 7 Ca 0.01 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.41 2fj6 h TYR 7 Cb 0.37 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2fj6 h TYR 7 CO 0.05 -0.30 0.21 1.25 -1.32 0.00 0.00 178.16 178.05 2fj6 h LEU 8 N -0.34 0.00 -1.65 2.82 5.85 -0.51 0.24 115.31 121.72 2fj6 h LEU 8 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2fj6 h LEU 8 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2fj6 h LEU 8 CO -0.19 0.00 0.06 0.25 -0.34 0.00 0.00 178.44 178.22 2fj6 h LEU 9 N 0.00 0.26 -0.43 2.25 6.46 0.32 -0.66 115.31 123.51 2fj6 h LEU 9 Ca 0.12 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2fj6 h LEU 9 Cb 0.54 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2fj6 h LEU 9 CO -0.00 0.26 0.00 0.50 -0.62 0.00 0.00 178.44 178.58 2fj6 h LYS 10 N 0.29 0.00 -1.19 1.25 3.64 -0.49 -3.21 116.57 116.86 2fj6 h LYS 10 Ca 0.07 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.04 2fj6 h LYS 10 Cb 0.10 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.71 2fj6 h LYS 10 CO -0.01 0.00 0.53 0.66 -2.27 0.00 0.00 179.45 178.37 2fj6 n TYR 11 N -2.59 2.14 -0.62 1.91 4.02 -0.25 -4.98 117.16 116.78 2fj6 n TYR 11 Ca 0.03 -1.97 -0.31 0.00 -0.01 0.00 0.00 57.90 55.64 2fj6 n TYR 11 Cb 0.38 -0.97 0.19 0.00 -0.02 0.00 0.00 39.34 38.93 2fj6 n TYR 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2fj6 n ARG 12 N -0.34 -1.70 -2.71 -0.72 1.74 -1.22 -4.81 116.66 106.91 2fj6 n ARG 12 Ca 0.42 -0.47 -0.07 0.00 -0.77 0.00 0.00 57.85 56.95 2fj6 n ARG 12 Cb 0.90 -1.88 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2fj6 n HIS 13 N -4.51 -2.17 -1.44 -1.55 -0.00 -1.26 -5.02 115.22 99.27 2fj6 n HIS 13 Ca 0.02 -1.73 -0.50 0.00 0.46 0.00 0.00 57.72 55.97 2fj6 n HIS 13 Cb 0.59 1.51 -0.04 0.00 -0.12 0.00 0.00 29.99 31.93 2fj6 n HIS 13 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2fj6 n PRO 14 N 0.23 0.14 -2.95 1.57 -0.02 -1.26 -2.06 135.00 130.65 2fj6 n PRO 14 Ca 0.01 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 2fj6 n PRO 14 Cb 0.73 -1.20 0.06 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.12 -3.48 -0.99 -0.52 4.76 -1.26 -4.90 118.16 112.89 2fj6 n LYS 15 Ca 0.18 0.64 -0.31 0.00 -2.87 0.00 0.00 58.31 55.95 2fj6 n LYS 15 Cb 0.22 -4.88 0.01 0.00 -1.84 0.00 0.00 35.03 28.54 2fj6 n LYS 15 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2fj6 n PRO 16 N -3.09 0.00 0.00 1.97 -0.02 -0.87 -4.93 135.00 128.06 2fj6 n PRO 16 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2fj6 n PRO 16 Cb 0.61 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 2fj6 n PRO 16 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2fj6 n LYS 17 N 1.22 0.00 -2.55 -0.52 2.85 -1.26 -4.99 118.16 112.90 2fj6 n LYS 17 Ca 0.06 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 2fj6 n LYS 17 Cb 0.38 -0.05 -0.02 0.00 -0.65 0.00 0.00 35.03 34.69 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 -2.81 6.42 0.18 -5.58 2.15 -1.26 -4.93 116.67 110.84 2fj6 s ASP 18 Ca 0.00 1.20 -0.13 0.00 0.43 0.00 0.00 52.55 54.05 2fj6 s ASP 18 Cb 0.00 -2.36 0.12 0.00 -0.30 0.00 0.00 42.92 40.38 2fj6 s ASP 18 CO 0.00 -0.56 1.79 0.28 -0.17 0.00 0.00 175.17 176.51 2fj6 h SER 19 N 0.66 0.37 -0.16 -0.34 0.02 -2.00 -0.62 113.55 111.48 2fj6 h SER 19 Ca -0.46 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 2fj6 h SER 19 Cb 1.19 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2fj6 h SER 19 CO 0.63 0.26 -0.13 -0.29 -1.14 0.00 0.00 176.83 176.16 2fj6 h ILE 20 N 0.50 1.24 -0.36 3.27 2.10 -1.94 -2.42 117.51 119.89 2fj6 h ILE 20 Ca 0.21 -1.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 2fj6 h ILE 20 Cb 0.11 1.14 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 2fj6 h ILE 20 CO -0.14 0.35 0.20 -1.28 -1.08 0.00 0.00 178.15 176.19 2fj6 h SER 21 N 0.49 0.45 -0.65 2.19 0.87 -1.61 0.17 113.55 115.46 2fj6 h SER 21 Ca 0.09 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2fj6 h SER 21 Cb 0.51 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2fj6 h SER 21 CO 0.03 0.40 0.41 -0.33 -0.53 0.00 0.00 176.83 176.82 2fj6 h GLU 22 N 0.46 0.87 0.13 2.24 5.08 -0.91 -0.16 114.58 122.29 2fj6 h GLU 22 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2fj6 h GLU 22 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2fj6 h GLU 22 CO -0.02 0.60 -0.06 0.35 -1.00 0.00 0.00 179.01 178.88 2fj6 h PHE 23 N 0.88 -0.16 -0.28 4.33 3.57 -1.05 -0.20 116.94 124.03 2fj6 h PHE 23 Ca 0.24 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2fj6 h PHE 23 Cb -0.06 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 2fj6 h PHE 23 CO -0.02 -0.01 -0.08 0.00 -2.23 0.00 0.00 178.31 175.98 2fj6 h ALA 24 N 0.58 0.18 -0.52 2.41 0.00 -0.42 -0.89 119.26 120.60 2fj6 h ALA 24 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fj6 h ALA 24 Cb 0.22 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2fj6 h ALA 24 CO 0.03 -0.47 0.31 -0.91 0.00 0.00 0.00 179.25 178.21 2fj6 h ASN 25 N -0.01 0.62 -0.14 0.00 2.35 -0.91 -2.62 115.58 114.87 2fj6 h ASN 25 Ca 0.14 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2fj6 h ASN 25 Cb 0.22 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2fj6 h ASN 25 CO -0.29 0.47 0.06 -0.61 -1.65 0.00 0.00 177.43 175.41 2fj6 h GLN 26 N 0.71 0.20 -0.17 0.81 5.75 0.28 -2.29 115.11 120.41 2fj6 h GLN 26 Ca 0.19 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 2fj6 h GLN 26 Cb -0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2fj6 h GLN 26 CO -0.04 0.26 0.18 0.00 -2.65 0.00 0.00 178.83 176.59 2fj6 h ALA 27 N 0.93 1.81 -0.21 3.38 0.00 -0.91 -1.93 119.26 122.33 2fj6 h ALA 27 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fj6 h ALA 27 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2fj6 h ALA 27 CO -0.01 -0.27 0.13 -0.92 0.00 0.00 0.00 179.25 178.18 2fj6 h TYR 28 N 0.00 0.27 -0.24 0.00 5.03 -1.24 -2.42 116.97 118.37 2fj6 h TYR 28 Ca 0.08 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2fj6 h TYR 28 Cb 0.45 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.64 2fj6 h TYR 28 CO 0.00 0.20 0.00 -0.85 -1.32 0.00 0.00 178.16 176.19 2fj6 n GLU 29 N -4.92 1.80 -1.75 1.82 0.28 -0.77 -4.93 120.64 112.17 2fj6 n GLU 29 Ca -0.03 -1.22 -0.29 0.00 -0.16 0.00 0.00 57.16 55.46 2fj6 n GLU 29 Cb 0.04 -1.37 0.10 0.00 1.43 0.00 0.00 31.44 31.65 2fj6 n GLU 29 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2fj6 s ASP 30 N -1.40 4.19 -0.02 -1.84 1.11 -0.91 -5.00 116.67 112.80 2fj6 s ASP 30 Ca 0.30 0.90 0.01 0.00 0.18 0.00 0.00 52.55 53.94 2fj6 s ASP 30 Cb 0.16 -1.45 0.03 0.00 1.07 0.00 0.00 42.92 42.73 2fj6 s ASP 30 CO 0.24 -2.12 0.50 1.41 1.18 0.00 0.00 175.17 176.39 2fj6 n HIS 31 N -3.47 -0.14 -3.06 4.23 8.25 -1.26 -5.02 115.22 114.75 2fj6 n HIS 31 Ca 0.07 -0.29 -0.18 0.00 -0.26 0.00 0.00 57.72 57.06 2fj6 n HIS 31 Cb 0.60 0.45 -0.03 0.00 1.12 0.00 0.00 29.99 32.14 2fj6 n HIS 31 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2fj6 n SER 32 N -0.10 -0.60 -3.65 0.41 2.88 -1.26 -5.09 113.62 106.20 2fj6 n SER 32 Ca -0.11 -2.94 -0.02 0.00 -1.33 0.00 0.00 58.87 54.47 2fj6 n SER 32 Cb 0.47 0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 2fj6 n SER 32 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2fj6 s PHE 33 N -0.84 -0.01 -0.52 0.66 2.19 -1.26 -5.07 117.98 113.13 2fj6 s PHE 33 Ca 0.34 0.02 -0.09 0.00 0.33 0.00 0.00 56.93 57.53 2fj6 s PHE 33 Cb 0.22 0.50 -0.14 0.00 -1.31 0.00 0.00 43.02 42.28 2fj6 s PHE 33 CO -0.13 -0.01 1.62 -0.35 1.83 0.00 0.00 175.22 178.18 2fj6 n PRO 34 N 1.22 0.07 0.26 10.12 -0.04 -1.26 -4.69 135.00 140.68 2fj6 n PRO 34 Ca -0.07 -0.38 0.16 0.00 -0.04 0.00 0.00 63.50 63.17 2fj6 n PRO 34 Cb 0.58 -1.77 0.88 0.00 -0.04 0.00 0.00 33.50 33.15 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 10.32 0.00 -2.08 0.54 1.79 -2.00 -3.11 116.57 122.03 2fj6 h LYS 35 Ca 0.01 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.91 2fj6 h LYS 35 Cb 1.03 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.28 2fj6 h LYS 35 CO 1.16 0.00 -0.92 -2.37 -1.08 0.00 0.00 179.45 176.24 2fj6 n THR 36 N -3.86 0.62 -3.65 -0.16 5.66 -1.26 -4.53 114.28 107.11 2fj6 n THR 36 Ca -0.01 -4.58 -0.02 0.00 -3.05 0.00 0.00 64.05 56.39 2fj6 n THR 36 Cb 0.17 -1.78 -0.06 0.00 -1.55 0.00 0.00 70.33 67.10 2fj6 n THR 36 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2fj6 s SER 37 N -1.90 -0.01 -0.19 1.09 0.15 -1.18 -5.06 113.70 106.60 2fj6 s SER 37 Ca 0.38 0.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 2fj6 s SER 37 Cb 0.19 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 2fj6 s SER 37 CO -0.08 -0.01 0.12 0.28 1.20 0.00 0.00 173.24 174.75 2fj6 s THR 38 N -0.33 -0.13 -0.17 6.45 -1.32 -1.26 -4.35 115.64 114.53 2fj6 s THR 38 Ca 0.08 -0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 2fj6 s THR 38 Cb -0.04 -0.64 0.08 0.00 -1.51 0.00 0.00 72.50 70.39 2fj6 s THR 38 CO -0.14 -0.32 0.18 -0.62 -2.21 0.00 0.00 174.62 171.52 2fj6 s ASP 39 N 2.17 1.38 0.18 8.08 -1.08 -1.26 -5.04 116.67 121.10 2fj6 s ASP 39 Ca 0.04 -0.14 -0.20 0.00 -0.52 0.00 0.00 52.55 51.72 2fj6 s ASP 39 Cb -0.16 0.25 0.11 0.00 -1.46 0.00 0.00 42.92 41.66 2fj6 s ASP 39 CO -0.13 -0.31 1.60 0.22 0.52 0.00 0.00 175.17 177.08 2fj6 h TYR 40 N 8.34 -0.76 0.18 -5.34 3.20 -1.99 0.62 116.97 121.22 2fj6 h TYR 40 Ca -0.16 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2fj6 h TYR 40 Cb 1.14 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.82 2fj6 h TYR 40 CO 0.21 -0.35 -0.09 1.25 -1.64 0.00 0.00 178.16 177.54 2fj6 h HIS 41 N -0.18 -0.22 0.06 -3.82 2.76 -1.98 0.40 115.15 112.17 2fj6 h HIS 41 Ca 0.21 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2fj6 h HIS 41 Cb 0.52 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.55 2fj6 h HIS 41 CO -0.54 -0.01 -0.03 1.49 -1.30 0.00 0.00 177.93 177.53 2fj6 h GLU 42 N -0.40 -0.08 -0.59 5.26 4.81 -1.89 -2.70 114.58 118.98 2fj6 h GLU 42 Ca -0.02 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2fj6 h GLU 42 Cb 0.31 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2fj6 h GLU 42 CO 0.04 -0.01 -0.03 0.82 -0.73 0.00 0.00 179.01 179.09 2fj6 h ILE 43 N -0.13 1.27 -0.50 2.32 2.04 0.21 -2.64 117.51 120.08 2fj6 h ILE 43 Ca -0.01 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.76 2fj6 h ILE 43 Cb 0.11 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2fj6 h ILE 43 CO 0.01 0.43 -0.08 -1.28 0.00 0.00 0.00 178.15 177.24 2fj6 h SER 44 N 0.97 -0.37 -0.57 1.72 0.87 -0.05 0.31 113.55 116.42 2fj6 h SER 44 Ca 0.16 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2fj6 h SER 44 Cb 0.60 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2fj6 h SER 44 CO 0.04 -0.13 0.20 -1.28 -0.53 0.00 0.00 176.83 175.12 2fj6 h SER 45 N 0.04 0.81 -0.19 6.23 0.87 -1.39 -0.50 113.55 119.42 2fj6 h SER 45 Ca 0.24 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2fj6 h SER 45 Cb 0.38 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2fj6 h SER 45 CO -0.48 0.78 0.12 0.22 -0.53 0.00 0.00 176.83 176.94 2fj6 h TYR 46 N 0.79 0.22 -0.52 2.24 5.03 -0.78 0.51 116.97 124.46 2fj6 h TYR 46 Ca 0.19 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 2fj6 h TYR 46 Cb 0.25 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 2fj6 h TYR 46 CO 0.01 0.14 0.19 -0.07 -1.32 0.00 0.00 178.16 177.12 2fj6 h LEU 47 N 0.25 0.73 -0.42 2.82 3.38 -0.33 0.17 115.31 121.91 2fj6 h LEU 47 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2fj6 h LEU 47 Cb -0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2fj6 h LEU 47 CO -0.02 0.71 0.14 -0.33 0.09 0.00 0.00 178.44 179.03 2fj6 h GLU 48 N 0.71 0.65 -0.41 1.13 5.08 -0.77 -2.74 114.58 118.22 2fj6 h GLU 48 Ca 0.17 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2fj6 h GLU 48 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2fj6 h GLU 48 CO -0.01 0.63 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.49 2fj6 h LEU 49 N 0.54 0.69 -8.92 1.33 3.38 0.25 -3.41 115.31 109.17 2fj6 h LEU 49 Ca 0.14 -0.19 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 2fj6 h LEU 49 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2fj6 h LEU 49 CO -0.01 0.81 1.27 0.20 0.09 0.00 0.00 178.44 180.81 2fj6 s ASN 50 N -6.70 5.95 0.51 -0.43 0.02 0.59 -4.84 114.94 110.03 2fj6 s ASN 50 Ca -0.09 1.44 0.27 0.00 -1.02 0.00 0.00 52.86 53.46 2fj6 s ASN 50 Cb 0.14 -2.53 1.38 0.00 0.02 0.00 0.00 41.25 40.26 2fj6 s ASN 50 CO 0.81 -1.64 2.04 0.00 0.02 0.00 0.00 177.10 178.32 2fj6 h ALA 51 N 12.66 1.24 -0.16 0.60 0.00 -1.82 0.11 119.26 131.89 2fj6 h ALA 51 Ca -0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2fj6 h ALA 51 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2fj6 h ALA 51 CO 1.02 0.17 0.04 -0.44 0.00 0.00 0.00 179.25 180.03 2fj6 h ASP 52 N 0.00 0.25 0.22 0.00 5.19 -1.90 -3.10 116.42 117.08 2fj6 h ASP 52 Ca -0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2fj6 h ASP 52 Cb 0.39 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2fj6 h ASP 52 CO 0.02 0.42 -0.50 -1.22 -3.12 0.00 0.00 179.24 174.84 2fj6 n TYR 53 N -4.80 0.00 -0.10 4.55 4.01 -1.10 -4.19 117.16 115.53 2fj6 n TYR 53 Ca -0.05 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.92 2fj6 n TYR 53 Cb 0.16 -0.11 0.67 0.00 -0.31 0.00 0.00 39.34 39.76 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 0.88 0.06 -0.41 7.72 5.85 -0.69 0.40 115.31 129.12 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 0.55 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2fj6 h LEU 54 CO 0.00 0.03 0.00 1.57 -0.34 0.00 0.00 178.44 179.70 2fj6 n HIS 55 N -4.36 0.15 -2.51 1.25 -0.00 -1.26 -3.64 115.22 104.86 2fj6 n HIS 55 Ca 0.14 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2fj6 n HIS 55 Cb 0.74 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.63 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 -0.18 0.31 -0.08 3.57 5.66 0.14 -4.90 114.28 118.81 2fj6 n THR 56 Ca 0.04 -1.28 0.01 0.00 -3.05 0.00 0.00 64.05 59.77 2fj6 n THR 56 Cb 0.10 0.98 0.30 0.00 -1.55 0.00 0.00 70.33 70.15 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 1.20 0.70 -0.02 1.09 2.07 -1.59 -1.56 114.93 116.82 2fj6 h MET 57 Ca -0.30 -0.09 0.01 0.00 -2.07 0.00 0.00 59.70 57.25 2fj6 h MET 57 Cb 1.59 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 31.19 2fj6 h MET 57 CO 0.02 0.56 0.02 0.00 1.07 0.00 0.00 176.91 178.58 2fj6 h ALA 58 N 1.54 2.02 -0.21 6.32 0.00 -1.90 -1.85 119.26 125.18 2fj6 h ALA 58 Ca 0.17 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 2fj6 h ALA 58 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fj6 h ALA 58 CO -0.02 -0.02 -0.66 1.15 0.00 0.00 0.00 179.25 179.70 2fj6 h THR 59 N 0.01 1.28 0.05 0.00 2.02 -1.68 -2.67 112.91 111.92 2fj6 h THR 59 Ca 0.01 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.33 2fj6 h THR 59 Cb 0.04 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2fj6 h THR 59 CO -0.00 0.60 -0.02 0.15 0.37 0.00 0.00 175.52 176.61 2fj6 h PHE 60 N 0.58 -0.06 -0.48 3.16 3.57 -1.25 0.69 116.94 123.14 2fj6 h PHE 60 Ca -0.02 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2fj6 h PHE 60 Cb 1.27 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 2fj6 h PHE 60 CO 0.07 -0.00 0.10 0.22 -2.23 0.00 0.00 178.31 176.47 2fj6 h ASP 61 N -0.10 0.01 -0.40 0.41 1.82 -1.50 0.64 116.42 117.31 2fj6 h ASP 61 Ca -0.01 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 2fj6 h ASP 61 Cb 0.08 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2fj6 h ASP 61 CO 0.01 0.04 0.01 -0.08 -1.61 0.00 0.00 179.24 177.60 2fj6 h GLU 62 N 0.24 0.69 -0.26 0.28 4.22 -1.16 -1.93 114.58 116.65 2fj6 h GLU 62 Ca 0.24 -0.22 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 2fj6 h GLU 62 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2fj6 h GLU 62 CO -0.31 0.78 0.15 0.00 -2.18 0.00 0.00 179.01 177.45 2fj6 h ALA 63 N 0.89 0.34 -0.60 2.92 0.00 0.13 -2.48 119.26 120.45 2fj6 h ALA 63 Ca 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2fj6 h ALA 63 Cb 0.46 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2fj6 h ALA 63 CO 0.02 -0.14 0.24 2.35 0.00 0.00 0.00 179.25 181.72 2fj6 h TRP 64 N 0.32 0.43 -0.86 0.00 2.91 0.36 0.20 115.95 119.31 2fj6 h TRP 64 Ca 0.09 0.03 0.14 0.00 1.13 0.00 0.00 58.89 60.28 2fj6 h TRP 64 Cb 0.05 -0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 28.50 2fj6 h TRP 64 CO -0.04 0.13 0.46 0.22 -1.03 0.00 0.00 178.44 178.19 2fj6 h ASP 65 N 0.44 0.57 -0.19 2.65 1.82 -0.92 0.06 116.42 120.85 2fj6 h ASP 65 Ca 0.29 0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.90 2fj6 h ASP 65 Cb 0.33 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2fj6 h ASP 65 CO -0.27 0.25 -0.37 1.56 -1.61 0.00 0.00 179.24 178.80 2fj6 h GLN 66 N 0.66 0.58 0.17 0.28 1.08 -0.67 -2.54 115.11 114.68 2fj6 h GLN 66 Ca 0.46 -0.37 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2fj6 h GLN 66 Cb 0.63 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 2fj6 h GLN 66 CO -0.35 0.99 -0.44 -0.92 -0.95 0.00 0.00 178.83 177.16 2fj6 h TYR 67 N 0.24 -1.23 -0.76 2.96 3.20 0.65 -1.28 116.97 120.75 2fj6 h TYR 67 Ca 0.01 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.01 2fj6 h TYR 67 Cb 0.97 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 39.68 2fj6 h TYR 67 CO 0.09 -0.54 0.40 1.49 -1.64 0.00 0.00 178.16 177.96 2fj6 h GLU 68 N -0.71 0.64 -0.24 1.82 4.81 -1.12 0.20 114.58 119.98 2fj6 h GLU 68 Ca 0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2fj6 h GLU 68 Cb 0.71 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2fj6 h GLU 68 CO -0.22 0.42 0.18 1.03 -0.73 0.00 0.00 179.01 179.69 2fj6 h SER 69 N 0.66 0.00 0.79 1.04 0.87 -0.90 1.70 113.55 117.71 2fj6 h SER 69 Ca 0.38 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.70 2fj6 h SER 69 Cb 0.41 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2fj6 h SER 69 CO -0.28 0.00 -1.25 -0.33 -0.53 0.00 0.00 176.83 174.45 2fj6 h GLU 70 N 0.00 0.05 0.00 2.24 4.39 0.13 -3.28 114.58 118.11 2fj6 h GLU 70 Ca 0.12 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2fj6 h GLU 70 Cb 0.47 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2fj6 h GLU 70 CO -0.00 0.91 -0.91 0.28 -1.16 0.00 0.00 179.01 178.13 2fj6 n VAL 71 N -3.30 0.41 1.27 3.13 0.31 -0.54 -3.67 118.33 115.94 2fj6 n VAL 71 Ca -0.06 -0.38 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 2fj6 n VAL 71 Cb 0.98 -0.13 0.68 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 -2.30 0.00 -0.12 3.52 -0.00 0.57 -3.61 115.22 113.28 2fj6 n HIS 72 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 2fj6 n HIS 72 Cb 0.49 -0.30 -0.11 0.00 -0.00 0.00 0.00 29.99 30.07 2fj6 n HIS 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fj6 n GLY 73 N 1.05 -0.55 3.79 1.57 0.00 -1.24 -4.95 105.19 104.87 2fj6 n GLY 73 Ca 0.13 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2fj6 n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fj6 s ARG 74 N -2.48 4.47 -0.34 1.61 1.70 -1.24 -4.97 118.95 117.71 2fj6 s ARG 74 Ca -0.35 1.21 0.07 0.00 -0.47 0.00 0.00 55.73 56.19 2fj6 s ARG 74 Cb 0.12 -2.73 0.57 0.00 -0.57 0.00 0.00 34.95 32.33 2fj6 s ARG 74 CO 0.54 0.26 1.62 1.28 -1.08 0.00 0.00 175.30 177.92 2fj6 n LEU 75 N 0.43 5.01 -2.15 -1.89 7.99 -1.26 -4.75 117.00 120.38 2fj6 n LEU 75 Ca 0.02 -3.70 -0.17 0.00 -0.01 0.00 0.00 56.01 52.14 2fj6 n LEU 75 Cb 0.51 -0.70 -0.10 0.00 -0.11 0.00 0.00 43.42 43.02 2fj6 n LEU 75 CO 0.43 1.18 1.53 -0.62 -1.51 0.00 0.00 177.39 178.39 2fj6 n GLU 76 N -1.09 2.07 -0.72 3.23 1.02 -1.26 -4.13 120.64 119.75 2fj6 n GLU 76 Ca 0.42 -1.50 0.06 0.00 -0.02 0.00 0.00 57.16 56.12 2fj6 n GLU 76 Cb 1.25 -1.95 0.18 0.00 -0.02 0.00 0.00 31.44 30.90 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 1.62 0.00 -2.30 -0.32 -0.00 -1.26 -4.82 115.22 108.14 2fj6 n HIS 77 Ca 0.41 -1.37 -0.39 0.00 0.46 0.00 0.00 57.72 56.84 2fj6 n HIS 77 Cb 0.72 -0.24 0.03 0.00 -0.12 0.00 0.00 29.99 30.38 2fj6 n HIS 77 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2fj6 n HIS 78 N -0.90 2.98 -3.86 1.57 -0.00 -1.26 -4.88 115.22 108.86 2fj6 n HIS 78 Ca 0.17 -2.55 -0.31 0.00 -0.00 0.00 0.00 57.72 55.03 2fj6 n HIS 78 Cb 0.75 -1.09 0.01 0.00 -0.00 0.00 0.00 29.99 29.66 2fj6 n HIS 78 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2fj6 n HIS 79 N -0.33 -1.86 0.00 1.57 8.25 -1.26 -4.96 115.22 116.63 2fj6 n HIS 79 Ca 0.49 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.54 2fj6 n HIS 79 Cb 0.28 -2.82 0.00 0.00 1.12 0.00 0.00 29.99 28.56 2fj6 n HIS 79 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2fj6 n HIS 80 N -3.41 -0.08 -1.63 4.41 -0.00 -1.26 -4.90 115.22 108.34 2fj6 n HIS 80 Ca -0.24 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 56.96 2fj6 n HIS 80 Cb 0.65 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.58 2fj6 n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2fj6 n HIS 81 N -0.08 1.81 1.86 -1.40 -0.00 -1.26 -5.20 115.22 110.95 2fj6 n HIS 81 Ca 0.00 0.50 0.15 0.00 -0.00 0.00 0.00 57.72 58.38 2fj6 n HIS 81 Cb 0.00 -2.42 0.83 0.00 -0.00 0.00 0.00 29.99 28.41 2fj6 n HIS 81 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92