#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 3.29 0.00 0.03 -2.85 -1.26 -4.84 119.74 114.11 2fj6 s LYS 2 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 2fj6 s LYS 2 Cb 0.00 -4.03 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 2fj6 s LYS 2 CO 0.00 -1.31 0.00 0.43 0.10 0.00 0.00 175.35 174.57 2fj6 n SER 3 N 6.90 0.00 -0.30 0.03 7.64 -1.26 -4.10 113.62 122.53 2fj6 n SER 3 Ca -0.00 0.00 0.30 0.00 1.01 0.00 0.00 58.87 60.17 2fj6 n SER 3 Cb 0.47 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.34 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 0.94 0.22 -0.33 1.43 3.57 -1.87 0.39 116.94 121.28 2fj6 h PHE 4 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2fj6 h PHE 4 Cb 0.00 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2fj6 h PHE 4 CO 0.00 0.02 0.02 -0.92 -2.23 0.00 0.00 178.31 175.20 2fj6 h TYR 5 N 0.13 0.61 -0.35 0.41 3.20 -1.84 -2.18 116.97 116.95 2fj6 h TYR 5 Ca 0.55 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.22 2fj6 h TYR 5 Cb 1.91 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.00 2fj6 h TYR 5 CO -0.00 0.67 -0.22 0.45 -1.64 0.00 0.00 178.16 177.41 2fj6 h HIS 6 N 0.38 0.75 -0.30 -3.82 3.86 -0.57 -1.34 115.15 114.12 2fj6 h HIS 6 Ca 0.10 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2fj6 h HIS 6 Cb 0.41 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 2fj6 h HIS 6 CO 0.03 0.83 0.06 -0.92 0.86 0.00 0.00 177.93 178.79 2fj6 h TYR 7 N 0.59 0.10 0.00 2.45 3.20 -0.95 0.21 116.97 122.56 2fj6 h TYR 7 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2fj6 h TYR 7 Cb 0.70 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2fj6 h TYR 7 CO 0.03 0.02 -0.02 1.25 -1.64 0.00 0.00 178.16 177.81 2fj6 h LEU 8 N 0.17 0.00 -2.52 2.82 5.85 -1.02 -1.47 115.31 119.14 2fj6 h LEU 8 Ca 0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2fj6 h LEU 8 Cb 0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2fj6 h LEU 8 CO -0.19 0.02 0.08 -0.07 -0.34 0.00 0.00 178.44 177.94 2fj6 h LEU 9 N 0.00 0.00 -1.98 2.25 3.38 0.56 0.30 115.31 119.82 2fj6 h LEU 9 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2fj6 h LEU 9 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2fj6 h LEU 9 CO 0.00 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.00 2fj6 h LYS 10 N 0.00 0.00 -1.57 1.13 3.64 -1.19 -2.23 116.57 116.35 2fj6 h LYS 10 Ca 0.02 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.77 2fj6 h LYS 10 Cb 0.19 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.77 2fj6 h LYS 10 CO -0.00 0.03 0.81 0.66 -2.27 0.00 0.00 179.45 178.68 2fj6 n TYR 11 N -3.19 2.67 -0.96 1.91 4.01 0.10 -5.02 117.16 116.68 2fj6 n TYR 11 Ca -0.01 -2.48 -0.31 0.00 -0.16 0.00 0.00 57.90 54.94 2fj6 n TYR 11 Cb 0.23 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.97 2fj6 n TYR 11 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2fj6 n ARG 12 N -0.35 0.00 -0.16 -0.72 3.00 -0.84 -4.56 116.66 113.03 2fj6 n ARG 12 Ca 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.28 2fj6 n ARG 12 Cb 0.48 -0.75 -0.00 0.00 0.00 0.00 0.00 32.46 32.19 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2fj6 h HIS 13 N 0.17 1.01 -0.38 -0.14 2.07 -1.88 -3.43 115.15 112.57 2fj6 h HIS 13 Ca -0.28 -0.21 -0.50 0.00 -2.85 0.00 0.00 60.37 56.53 2fj6 h HIS 13 Cb 1.08 -0.25 -0.07 0.00 2.57 0.00 0.00 27.41 30.75 2fj6 h HIS 13 CO 0.21 0.97 1.72 -2.30 -3.07 0.00 0.00 177.93 175.46 2fj6 n PRO 14 N -4.25 0.25 -2.13 5.12 -0.02 -1.26 -2.61 135.00 130.09 2fj6 n PRO 14 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2fj6 n PRO 14 Cb 0.37 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 8.60 -0.88 -2.50 -0.52 4.81 -1.26 -4.98 118.16 121.43 2fj6 n LYS 15 Ca 0.59 1.12 -0.43 0.00 -0.87 0.00 0.00 58.31 58.72 2fj6 n LYS 15 Cb 0.15 -3.36 -0.02 0.00 0.02 0.00 0.00 35.03 31.81 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 -2.19 4.32 0.00 1.64 0.04 -1.07 -4.98 135.00 132.76 2fj6 s PRO 16 Ca 0.07 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2fj6 s PRO 16 Cb -0.02 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2fj6 s PRO 16 CO 0.34 -0.52 0.00 1.63 0.04 0.00 0.00 177.00 178.49 2fj6 n LYS 17 N 5.68 0.00 -1.93 4.56 5.02 -1.26 -4.85 118.16 125.38 2fj6 n LYS 17 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 2fj6 n LYS 17 Cb 0.46 -0.20 0.08 0.00 -0.02 0.00 0.00 35.03 35.35 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 -1.00 4.62 0.28 4.39 1.01 -1.26 -4.86 116.67 119.86 2fj6 s ASP 18 Ca 0.00 0.79 0.02 0.00 0.71 0.00 0.00 52.55 54.07 2fj6 s ASP 18 Cb 0.00 -1.32 0.58 0.00 1.01 0.00 0.00 42.92 43.19 2fj6 s ASP 18 CO 0.00 -1.83 1.82 0.28 0.21 0.00 0.00 175.17 175.66 2fj6 h SER 19 N -0.98 0.89 -0.88 0.27 0.02 -1.99 -0.32 113.55 110.56 2fj6 h SER 19 Ca -0.46 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2fj6 h SER 19 Cb 1.32 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2fj6 h SER 19 CO 0.65 0.44 0.58 -0.29 -1.14 0.00 0.00 176.83 177.08 2fj6 h ILE 20 N 0.94 1.22 -0.65 3.27 2.10 -1.96 -1.55 117.51 120.88 2fj6 h ILE 20 Ca 0.51 -0.40 -0.06 0.00 1.08 0.00 0.00 64.86 65.99 2fj6 h ILE 20 Cb 0.57 -0.07 -0.03 0.00 -1.09 0.00 0.00 36.82 36.20 2fj6 h ILE 20 CO -0.29 0.22 0.17 0.77 -1.08 0.00 0.00 178.15 177.93 2fj6 h SER 21 N 1.18 0.98 -0.88 2.19 4.64 -1.43 -2.38 113.55 117.86 2fj6 h SER 21 Ca 0.32 -0.23 0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2fj6 h SER 21 Cb -0.12 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.66 2fj6 h SER 21 CO -0.07 0.95 0.56 -0.33 -0.87 0.00 0.00 176.83 177.07 2fj6 h GLU 22 N 0.96 1.04 -0.88 4.77 4.39 -0.58 -0.51 114.58 123.76 2fj6 h GLU 22 Ca 0.20 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2fj6 h GLU 22 Cb 0.35 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2fj6 h GLU 22 CO 0.00 0.69 0.55 0.35 -1.16 0.00 0.00 179.01 179.44 2fj6 h PHE 23 N 1.08 1.14 -0.52 4.33 3.04 -0.93 -2.11 116.94 122.96 2fj6 h PHE 23 Ca 0.36 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.40 2fj6 h PHE 23 Cb 0.04 -0.38 -0.07 0.00 2.56 0.00 0.00 35.95 38.11 2fj6 h PHE 23 CO -0.02 0.74 0.16 0.00 -2.02 0.00 0.00 178.31 177.17 2fj6 h ALA 24 N 1.40 0.63 -0.26 2.41 0.00 -0.60 0.42 119.26 123.26 2fj6 h ALA 24 Ca 0.32 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2fj6 h ALA 24 Cb -0.08 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2fj6 h ALA 24 CO -0.06 -0.25 0.03 -0.91 0.00 0.00 0.00 179.25 178.06 2fj6 h ASN 25 N 0.32 -0.03 -0.45 0.00 4.21 -1.02 -0.82 115.58 117.79 2fj6 h ASN 25 Ca 0.26 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 2fj6 h ASN 25 Cb 0.32 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 2fj6 h ASN 25 CO -0.29 0.02 0.16 -0.61 -1.29 0.00 0.00 177.43 175.42 2fj6 h GLN 26 N 0.12 0.68 -0.33 0.81 5.75 -1.08 -2.44 115.11 118.62 2fj6 h GLN 26 Ca 0.12 -0.13 0.08 0.00 -0.15 0.00 0.00 58.65 58.57 2fj6 h GLN 26 Cb 0.14 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2fj6 h GLN 26 CO -0.18 0.63 0.23 0.00 -2.65 0.00 0.00 178.83 176.86 2fj6 h ALA 27 N 1.01 2.19 -0.82 3.38 0.00 0.31 -1.11 119.26 124.23 2fj6 h ALA 27 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2fj6 h ALA 27 Cb 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2fj6 h ALA 27 CO -0.01 -0.27 0.54 -0.92 0.00 0.00 0.00 179.25 178.59 2fj6 h TYR 28 N 0.09 1.04 -0.36 0.00 5.03 -0.65 -2.26 116.97 119.86 2fj6 h TYR 28 Ca 0.15 0.02 -0.23 0.00 2.58 0.00 0.00 58.73 61.25 2fj6 h TYR 28 Cb 0.49 -0.35 -0.11 0.00 1.55 0.00 0.00 36.73 38.31 2fj6 h TYR 28 CO -0.00 0.66 0.30 0.39 -1.32 0.00 0.00 178.16 178.19 2fj6 n GLU 29 N -4.51 1.58 -2.08 1.82 1.02 -0.42 -4.94 120.64 113.11 2fj6 n GLU 29 Ca 0.08 -1.17 -0.32 0.00 -0.02 0.00 0.00 57.16 55.74 2fj6 n GLU 29 Cb 0.02 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 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 0.52 6.34 0.00 1.62 -1.08 -0.85 -5.03 116.67 118.19 2fj6 s ASP 30 Ca 0.23 1.51 0.00 0.00 -0.52 0.00 0.00 52.55 53.76 2fj6 s ASP 30 Cb 0.18 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 2fj6 s ASP 30 CO 0.01 -0.79 0.56 1.57 0.52 0.00 0.00 175.17 177.03 2fj6 n HIS 31 N -2.25 0.00 -2.68 -5.34 -0.00 -1.26 -4.71 115.22 98.98 2fj6 n HIS 31 Ca 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.71 2fj6 n HIS 31 Cb 0.54 -0.13 0.06 0.00 -0.00 0.00 0.00 29.99 30.46 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 -0.90 0.41 -4.53 0.26 7.64 -1.26 -5.12 113.62 110.13 2fj6 n SER 32 Ca 0.00 -2.58 -0.48 0.00 1.01 0.00 0.00 58.87 56.82 2fj6 n SER 32 Cb 0.00 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.29 0.76 -1.11 1.43 -0.00 -1.26 -4.72 117.46 112.28 2fj6 n PHE 33 Ca 0.05 0.79 -0.39 0.00 -0.00 0.00 0.00 57.45 57.90 2fj6 n PHE 33 Cb 0.83 -2.17 -0.08 0.00 -0.00 0.00 0.00 39.48 38.05 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 1.16 0.90 0.19 -7.13 -0.04 -1.26 -4.67 135.00 124.15 2fj6 n PRO 34 Ca 0.14 -1.65 0.15 0.00 -0.04 0.00 0.00 63.50 62.10 2fj6 n PRO 34 Cb 0.26 -2.99 0.76 0.00 -0.04 0.00 0.00 33.50 31.49 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 9.19 0.00 -1.19 0.54 1.57 -2.02 -1.46 116.57 123.20 2fj6 h LYS 35 Ca 0.30 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.39 2fj6 h LYS 35 Cb 0.75 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.77 2fj6 h LYS 35 CO 1.80 0.00 0.91 0.25 -0.57 0.00 0.00 179.45 181.83 2fj6 n THR 36 N -4.13 3.62 0.00 -0.16 -2.24 -1.26 -4.72 114.28 105.38 2fj6 n THR 36 Ca 0.01 -3.16 0.00 0.00 -2.27 0.00 0.00 64.05 58.64 2fj6 n THR 36 Cb 0.29 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2fj6 n THR 36 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2fj6 n SER 37 N -0.83 0.00 -3.69 3.42 2.88 -0.55 -5.14 113.62 109.70 2fj6 n SER 37 Ca 0.61 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.88 2fj6 n SER 37 Cb 0.58 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.53 0.34 -0.07 2.46 -1.32 -1.26 -4.73 115.64 110.53 2fj6 s THR 38 Ca 0.00 -0.51 -0.03 0.00 -1.21 0.00 0.00 61.69 59.94 2fj6 s THR 38 Cb 0.00 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2fj6 s THR 38 CO 0.00 -0.29 0.15 -0.62 -2.21 0.00 0.00 174.62 171.65 2fj6 s ASP 39 N 1.94 0.20 0.16 8.08 2.15 -1.26 -5.05 116.67 122.89 2fj6 s ASP 39 Ca 0.01 0.31 -0.17 0.00 0.43 0.00 0.00 52.55 53.12 2fj6 s ASP 39 Cb -0.17 0.21 0.08 0.00 -0.30 0.00 0.00 42.92 42.75 2fj6 s ASP 39 CO -0.11 -0.18 1.68 0.22 -0.17 0.00 0.00 175.17 176.61 2fj6 h TYR 40 N 7.64 -0.16 0.13 -5.34 3.20 -1.99 0.87 116.97 121.32 2fj6 h TYR 40 Ca -0.33 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 2fj6 h TYR 40 Cb 1.13 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2fj6 h TYR 40 CO 0.43 -0.14 -0.06 0.45 -1.64 0.00 0.00 178.16 177.20 2fj6 h HIS 41 N 0.02 -0.16 0.20 -3.82 3.86 -1.98 0.15 115.15 113.42 2fj6 h HIS 41 Ca 0.18 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2fj6 h HIS 41 Cb 0.27 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2fj6 h HIS 41 CO -0.32 0.05 -0.10 1.49 0.86 0.00 0.00 177.93 179.92 2fj6 h GLU 42 N -0.35 -0.26 -0.43 2.45 4.22 -1.93 -2.70 114.58 115.57 2fj6 h GLU 42 Ca -0.02 0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.30 2fj6 h GLU 42 Cb 0.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2fj6 h GLU 42 CO 0.03 -0.10 -0.28 0.82 -2.18 0.00 0.00 179.01 177.30 2fj6 h ILE 43 N -0.36 1.27 -0.43 2.32 2.04 -0.89 -2.57 117.51 118.88 2fj6 h ILE 43 Ca -0.03 -1.44 0.08 0.00 1.00 0.00 0.00 64.86 64.47 2fj6 h ILE 43 Cb 0.28 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2fj6 h ILE 43 CO 0.05 0.49 0.02 0.77 0.00 0.00 0.00 178.15 179.47 2fj6 h SER 44 N 0.80 -0.15 -0.67 1.72 4.64 -0.68 -0.21 113.55 119.00 2fj6 h SER 44 Ca 0.09 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2fj6 h SER 44 Cb 0.85 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2fj6 h SER 44 CO 0.08 -0.04 0.27 0.28 -0.87 0.00 0.00 176.83 176.55 2fj6 h SER 45 N 0.13 0.95 -0.26 4.97 0.02 -1.43 0.10 113.55 118.03 2fj6 h SER 45 Ca 0.21 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2fj6 h SER 45 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2fj6 h SER 45 CO -0.34 0.85 0.15 0.22 -1.14 0.00 0.00 176.83 176.57 2fj6 h TYR 46 N 1.01 0.28 -0.30 3.45 3.20 -0.72 0.63 116.97 124.52 2fj6 h TYR 46 Ca 0.23 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 2fj6 h TYR 46 Cb 0.20 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2fj6 h TYR 46 CO 0.02 0.17 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.16 2fj6 h LEU 47 N 0.31 0.94 -0.66 2.82 3.38 -0.86 -2.01 115.31 119.23 2fj6 h LEU 47 Ca 0.10 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2fj6 h LEU 47 Cb -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2fj6 h LEU 47 CO -0.05 1.27 0.22 -0.33 0.09 0.00 0.00 178.44 179.65 2fj6 h GLU 48 N 0.63 1.01 -0.33 1.13 5.08 -0.53 -2.43 114.58 119.14 2fj6 h GLU 48 Ca 0.03 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2fj6 h GLU 48 Cb 1.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2fj6 h GLU 48 CO 0.11 0.87 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.83 2fj6 h LEU 49 N 0.95 0.54 -9.37 1.33 3.38 0.31 -3.42 115.31 109.03 2fj6 h LEU 49 Ca 0.21 -0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 2fj6 h LEU 49 Cb 0.27 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2fj6 h LEU 49 CO -0.01 0.68 1.01 0.20 0.09 0.00 0.00 178.44 180.41 2fj6 s ASN 50 N -6.75 6.67 0.19 -0.43 0.01 -0.76 -4.90 114.94 108.98 2fj6 s ASN 50 Ca -0.08 2.33 -0.07 0.00 -0.71 0.00 0.00 52.86 54.34 2fj6 s ASN 50 Cb 0.15 -2.55 0.12 0.00 0.41 0.00 0.00 41.25 39.37 2fj6 s ASN 50 CO 0.78 -0.87 1.60 0.00 -1.51 0.00 0.00 177.10 177.10 2fj6 h ALA 51 N 8.72 0.80 -0.46 0.60 0.00 -1.82 0.51 119.26 127.61 2fj6 h ALA 51 Ca -0.41 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 2fj6 h ALA 51 Cb 1.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2fj6 h ALA 51 CO 0.93 0.65 -0.06 -0.44 0.00 0.00 0.00 179.25 180.33 2fj6 h ASP 52 N 0.75 0.78 0.28 0.00 5.19 -1.91 -2.84 116.42 118.68 2fj6 h ASP 52 Ca 0.10 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2fj6 h ASP 52 Cb 0.75 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2fj6 h ASP 52 CO 0.06 0.89 -0.65 -1.22 -3.12 0.00 0.00 179.24 175.19 2fj6 n TYR 53 N -4.18 0.00 -0.25 4.55 4.02 -1.15 -4.29 117.16 115.86 2fj6 n TYR 53 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.96 2fj6 n TYR 53 Cb 0.34 -0.14 0.19 0.00 -0.02 0.00 0.00 39.34 39.70 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 0.21 0.24 -3.14 7.72 5.85 0.29 0.21 115.31 126.69 2fj6 h LEU 54 Ca 0.00 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 2fj6 h LEU 54 Cb 0.51 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.49 2fj6 h LEU 54 CO 0.00 0.08 0.36 1.41 -0.34 0.00 0.00 178.44 179.96 2fj6 n HIS 55 N -5.02 1.59 -2.02 1.25 8.25 -1.26 -3.61 115.22 114.39 2fj6 n HIS 55 Ca 0.14 -1.40 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 2fj6 n HIS 55 Cb 0.42 -0.70 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 -0.19 0.00 0.01 1.59 -1.04 0.73 -4.89 114.28 110.49 2fj6 n THR 56 Ca 0.31 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 62.23 2fj6 n THR 56 Cb 0.97 0.37 0.16 0.00 -1.82 0.00 0.00 70.33 70.01 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 0.04 0.51 -0.53 -2.82 2.86 -1.58 -2.83 114.93 110.58 2fj6 h MET 57 Ca -0.02 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 2fj6 h MET 57 Cb 1.30 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 2fj6 h MET 57 CO -0.00 0.77 0.35 0.00 1.06 0.00 0.00 176.91 179.09 2fj6 h ALA 58 N 1.21 1.89 -0.21 6.32 0.00 -1.90 0.13 119.26 126.71 2fj6 h ALA 58 Ca 0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2fj6 h ALA 58 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2fj6 h ALA 58 CO 0.06 0.02 -0.58 1.15 0.00 0.00 0.00 179.25 179.91 2fj6 h THR 59 N 0.47 1.30 -0.01 0.00 2.02 -1.89 -2.71 112.91 112.08 2fj6 h THR 59 Ca 0.23 -1.79 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 2fj6 h THR 59 Cb 0.30 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2fj6 h THR 59 CO -0.06 0.57 0.00 0.15 0.37 0.00 0.00 175.52 176.55 2fj6 h PHE 60 N 0.49 0.02 -0.74 3.16 3.57 -1.21 -1.52 116.94 120.70 2fj6 h PHE 60 Ca -0.01 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.62 2fj6 h PHE 60 Cb 1.20 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 2fj6 h PHE 60 CO 0.09 0.22 0.30 0.22 -2.23 0.00 0.00 178.31 176.90 2fj6 h ASP 61 N -0.18 0.28 -0.73 0.41 1.82 -1.05 0.58 116.42 117.55 2fj6 h ASP 61 Ca 0.00 0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2fj6 h ASP 61 Cb 0.21 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 2fj6 h ASP 61 CO -0.00 0.11 0.25 -0.08 -1.61 0.00 0.00 179.24 177.91 2fj6 h GLU 62 N 0.45 1.13 -0.32 0.28 4.81 -1.28 -2.25 114.58 117.39 2fj6 h GLU 62 Ca 0.41 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2fj6 h GLU 62 Cb 0.60 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2fj6 h GLU 62 CO -0.39 0.95 0.20 0.00 -0.73 0.00 0.00 179.01 179.04 2fj6 h ALA 63 N 1.12 0.41 -0.40 2.92 0.00 0.09 -2.49 119.26 120.92 2fj6 h ALA 63 Ca 0.24 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2fj6 h ALA 63 Cb 0.28 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2fj6 h ALA 63 CO -0.01 -0.10 0.08 2.35 0.00 0.00 0.00 179.25 181.57 2fj6 h TRP 64 N 0.42 0.13 -0.96 0.00 2.91 -0.78 0.22 115.95 117.88 2fj6 h TRP 64 Ca 0.12 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.32 2fj6 h TRP 64 Cb -0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 28.55 2fj6 h TRP 64 CO -0.04 0.01 0.57 -0.44 -1.03 0.00 0.00 178.44 177.51 2fj6 h ASP 65 N 0.21 0.76 -0.17 2.65 3.32 -1.05 -0.08 116.42 122.06 2fj6 h ASP 65 Ca 0.19 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 2fj6 h ASP 65 Cb 0.23 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2fj6 h ASP 65 CO -0.25 0.31 -0.50 1.56 -1.72 0.00 0.00 179.24 178.64 2fj6 h GLN 66 N 0.78 0.63 0.13 3.56 1.08 -0.79 -2.77 115.11 117.74 2fj6 h GLN 66 Ca 0.53 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2fj6 h GLN 66 Cb 0.74 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.20 2fj6 h GLN 66 CO -0.35 1.08 -0.43 -0.92 -0.95 0.00 0.00 178.83 177.26 2fj6 h TYR 67 N 0.30 -1.20 -0.29 2.96 3.20 0.11 -1.89 116.97 120.16 2fj6 h TYR 67 Ca -0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2fj6 h TYR 67 Cb 1.12 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.86 2fj6 h TYR 67 CO 0.10 -0.53 0.05 1.05 -1.64 0.00 0.00 178.16 177.20 2fj6 h GLU 68 N -0.67 0.16 -0.59 1.82 4.11 -1.21 -0.94 114.58 117.26 2fj6 h GLU 68 Ca 0.02 -0.01 0.17 0.00 0.07 0.00 0.00 59.36 59.61 2fj6 h GLU 68 Cb 0.69 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2fj6 h GLU 68 CO -0.24 0.10 0.51 0.66 0.07 0.00 0.00 179.01 180.11 2fj6 h SER 69 N 0.16 0.00 0.00 3.06 4.64 -1.16 1.99 113.55 122.23 2fj6 h SER 69 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2fj6 h SER 69 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2fj6 h SER 69 CO -0.18 0.00 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.20 2fj6 h GLU 70 N 0.00 0.00 0.00 4.77 4.39 -0.40 -3.35 114.58 119.99 2fj6 h GLU 70 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2fj6 h GLU 70 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2fj6 h GLU 70 CO -0.00 0.40 -0.69 0.28 -1.16 0.00 0.00 179.01 177.83 2fj6 h VAL 71 N -1.00 0.00 0.00 3.13 2.07 -0.93 -3.31 116.25 116.21 2fj6 h VAL 71 Ca -0.04 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2fj6 h VAL 71 Cb 0.53 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 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 6.17 0.30 -3.04 115.15 120.15 2fj6 h HIS 72 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2fj6 h HIS 72 Cb 0.86 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.79 2fj6 h HIS 72 CO 0.00 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.05 2fj6 n GLY 73 N 1.09 -1.54 3.91 5.26 0.00 -1.25 -4.83 105.19 107.84 2fj6 n GLY 73 Ca 0.05 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.07 1.96 -0.08 1.61 0.52 -1.15 -4.93 118.95 113.81 2fj6 s ARG 74 Ca 0.11 -0.04 -0.05 0.00 -0.52 0.00 0.00 55.73 55.23 2fj6 s ARG 74 Cb 0.14 -2.01 -0.18 0.00 0.52 0.00 0.00 34.95 33.42 2fj6 s ARG 74 CO 0.53 -1.54 3.29 1.28 0.02 0.00 0.00 175.30 178.88 2fj6 n LEU 75 N -3.22 5.48 -2.58 2.53 7.99 -1.26 -4.52 117.00 121.41 2fj6 n LEU 75 Ca 0.08 -3.25 -0.37 0.00 -0.01 0.00 0.00 56.01 52.47 2fj6 n LEU 75 Cb 0.61 -1.35 0.06 0.00 -0.11 0.00 0.00 43.42 42.62 2fj6 n LEU 75 CO 0.55 1.62 1.50 -1.84 -1.51 0.00 0.00 177.39 177.71 2fj6 n GLU 76 N 2.09 2.69 -1.50 3.23 -0.00 -1.26 -4.98 120.64 120.91 2fj6 n GLU 76 Ca 0.39 -3.32 -0.42 0.00 -0.00 0.00 0.00 57.16 53.81 2fj6 n GLU 76 Cb 0.81 -2.26 -0.08 0.00 -0.00 0.00 0.00 31.44 29.91 2fj6 n GLU 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2fj6 n HIS 77 N -0.67 1.16 -3.29 -1.84 -0.00 -1.26 -4.58 115.22 104.74 2fj6 n HIS 77 Ca 0.58 0.26 0.07 0.00 0.46 0.00 0.00 57.72 59.09 2fj6 n HIS 77 Cb 0.47 -2.52 -0.02 0.00 -0.12 0.00 0.00 29.99 27.80 2fj6 n HIS 77 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2fj6 n HIS 78 N 12.44 -2.58 -0.97 1.57 8.25 -1.26 -4.84 115.22 127.83 2fj6 n HIS 78 Ca 0.48 0.68 -0.20 0.00 -0.26 0.00 0.00 57.72 58.43 2fj6 n HIS 78 Cb 0.28 -1.10 0.17 0.00 1.12 0.00 0.00 29.99 30.45 2fj6 n HIS 78 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2fj6 n HIS 79 N -2.72 -3.66 -2.81 4.41 1.44 -1.26 -5.06 115.22 105.56 2fj6 n HIS 79 Ca 0.00 -0.69 -0.07 0.00 -2.01 0.00 0.00 57.72 54.96 2fj6 n HIS 79 Cb 0.25 -0.76 0.01 0.00 0.12 0.00 0.00 29.99 29.61 2fj6 n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2fj6 n HIS 80 N -3.99 -3.48 -1.92 -1.40 -0.00 -1.26 -5.08 115.22 98.08 2fj6 n HIS 80 Ca 0.10 -1.62 0.00 0.00 -0.00 0.00 0.00 57.72 56.21 2fj6 n HIS 80 Cb 0.40 1.38 0.00 0.00 -0.00 0.00 0.00 29.99 31.77 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 2.67 -3.67 -1.31 1.57 -0.00 -1.26 -5.27 115.22 107.95 2fj6 n HIS 81 Ca 0.17 2.19 0.00 0.00 -0.00 0.00 0.00 57.72 60.08 2fj6 n HIS 81 Cb 0.57 -3.36 0.00 0.00 -0.00 0.00 0.00 29.99 27.20 2fj6 n HIS 81 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92