#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 n ASN 2 N 0.00 1.79 -1.40 4.04 3.02 -1.26 -4.77 115.26 116.68 2fe9 n ASN 2 Ca 0.00 -2.29 -0.05 0.00 -0.03 0.00 0.00 54.58 52.21 2fe9 n ASN 2 Cb 0.00 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2fe9 n SER 3 N -2.42 -1.01 -0.88 6.41 3.41 -1.19 -0.75 113.62 117.19 2fe9 n SER 3 Ca 0.13 -1.88 0.05 0.00 -0.26 0.00 0.00 58.87 56.91 2fe9 n SER 3 Cb 0.50 0.37 0.18 0.00 -0.26 0.00 0.00 64.21 65.00 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fe9 n SER 4 N -0.39 2.52 -2.99 4.04 7.64 -1.26 -4.94 113.62 118.24 2fe9 n SER 4 Ca -0.23 -2.18 -0.02 0.00 1.01 0.00 0.00 58.87 57.46 2fe9 n SER 4 Cb 0.71 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2fe9 n MET 5 N 0.49 -1.63 -2.10 1.43 2.81 -1.26 -4.89 117.12 111.97 2fe9 n MET 5 Ca 0.13 1.68 -0.42 0.00 -1.81 0.00 0.00 57.70 57.28 2fe9 n MET 5 Cb 0.47 -5.73 -0.03 0.00 -0.71 0.00 0.00 33.22 27.23 2fe9 n MET 5 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2fe9 s ASN 6 N -2.88 5.94 0.32 7.83 3.84 -1.26 -4.86 114.94 123.86 2fe9 s ASN 6 Ca 0.07 1.06 0.24 0.00 0.21 0.00 0.00 52.86 54.44 2fe9 s ASN 6 Cb -0.02 -2.53 1.16 0.00 -0.55 0.00 0.00 41.25 39.31 2fe9 s ASN 6 CO 0.75 -1.71 1.72 1.55 -2.79 0.00 0.00 177.10 176.62 2fe9 h PRO 7 N 12.53 0.00 0.07 0.43 0.13 -1.96 0.12 132.00 143.32 2fe9 h PRO 7 Ca -0.31 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.71 2fe9 h PRO 7 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2fe9 h PRO 7 CO 1.07 0.00 -0.46 0.87 -0.23 0.00 0.00 178.00 179.25 2fe9 h LYS 8 N 0.00 0.18 0.03 0.86 6.56 -1.95 -3.27 116.57 118.98 2fe9 h LYS 8 Ca 0.00 -0.29 -0.12 0.00 -1.06 0.00 0.00 60.65 59.17 2fe9 h LYS 8 Cb 0.16 0.11 0.01 0.00 -0.57 0.00 0.00 32.23 31.94 2fe9 h LYS 8 CO 0.00 1.13 -0.50 1.03 -2.06 0.00 0.00 179.45 179.05 2fe9 h SER 9 N -0.61 0.38 0.00 0.86 0.87 -1.85 -3.14 113.55 110.06 2fe9 h SER 9 Ca -0.08 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 2fe9 h SER 9 Cb 1.35 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2fe9 h SER 9 CO 0.09 1.16 0.00 0.18 -0.53 0.00 0.00 176.83 177.73 2fe9 n LEU 10 N -4.32 0.00 -0.32 2.23 4.77 0.37 -1.04 117.00 118.70 2fe9 n LEU 10 Ca -0.11 0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2fe9 n LEU 10 Cb 0.64 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 41.37 2fe9 n LEU 10 CO 0.44 -0.48 0.45 0.35 -1.33 0.00 0.00 177.39 176.82 2fe9 n THR 11 N -1.48 1.57 -3.82 -5.08 -2.24 -1.21 -4.70 114.28 97.33 2fe9 n THR 11 Ca 0.00 -2.06 -0.36 0.00 -2.27 0.00 0.00 64.05 59.35 2fe9 n THR 11 Cb 0.00 -0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.04 2fe9 n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fe9 s ASP 12 N -2.63 4.90 0.65 3.42 2.15 -0.21 -4.58 116.67 120.37 2fe9 s ASP 12 Ca 0.29 -0.73 0.10 0.00 0.43 0.00 0.00 52.55 52.64 2fe9 s ASP 12 Cb 0.26 -1.82 0.54 0.00 -0.30 0.00 0.00 42.92 41.60 2fe9 s ASP 12 CO -0.01 -0.17 1.30 -0.65 -0.17 0.00 0.00 175.17 175.48 2fe9 h PRO 13 N 8.17 0.00 0.18 4.34 0.11 -1.90 0.33 132.00 143.23 2fe9 h PRO 13 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2fe9 h PRO 13 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fe9 h PRO 13 CO 0.59 0.00 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.08 2fe9 h LYS 14 N 0.00 -0.23 -0.08 1.05 3.11 -1.93 0.45 116.57 118.94 2fe9 h LYS 14 Ca 0.00 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.76 2fe9 h LYS 14 Cb 1.54 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 2fe9 h LYS 14 CO 0.00 -0.05 -0.34 -0.07 -2.81 0.00 0.00 179.45 176.18 2fe9 h LEU 15 N -0.36 0.44 -0.33 5.20 -0.00 -1.19 -2.86 115.31 116.20 2fe9 h LEU 15 Ca -0.02 -0.63 0.07 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 15 Cb 0.28 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 40.75 2fe9 h LEU 15 CO 0.04 1.00 -0.13 -0.07 -0.00 0.00 0.00 178.44 179.28 2fe9 h LEU 16 N -0.09 -0.45 -1.72 1.67 3.38 -1.45 0.15 115.31 116.80 2fe9 h LEU 16 Ca -0.02 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2fe9 h LEU 16 Cb 0.98 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2fe9 h LEU 16 CO 0.07 -0.16 -0.16 0.11 0.09 0.00 0.00 178.44 178.38 2fe9 h LYS 17 N -0.07 0.00 -2.34 1.13 1.57 -0.98 -3.12 116.57 112.75 2fe9 h LYS 17 Ca 0.17 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.29 2fe9 h LYS 17 Cb 0.32 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.25 2fe9 h LYS 17 CO -0.38 0.16 -0.23 -1.71 -0.57 0.00 0.00 179.45 176.73 2fe9 n ASN 18 N -3.70 4.71 -0.30 0.86 5.15 0.45 -4.94 115.26 117.49 2fe9 n ASN 18 Ca -0.02 -3.52 0.06 0.00 -0.60 0.00 0.00 54.58 50.50 2fe9 n ASN 18 Cb 0.28 -0.79 0.13 0.00 -0.53 0.00 0.00 39.78 38.87 2fe9 n ASN 18 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2fe9 n ILE 19 N 0.58 -0.35 -0.20 -1.44 2.08 -0.68 0.66 119.36 120.00 2fe9 n ILE 19 Ca 0.31 1.93 -0.02 0.00 0.56 0.00 0.00 62.75 65.52 2fe9 n ILE 19 Cb 0.38 -2.68 0.04 0.00 -0.75 0.00 0.00 39.64 36.63 2fe9 n ILE 19 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2fe9 h PRO 20 N 0.00 -0.07 -0.60 0.38 0.11 -1.83 0.47 132.00 130.46 2fe9 h PRO 20 Ca 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 2fe9 h PRO 20 Cb 0.65 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 2fe9 h PRO 20 CO -0.86 -0.05 0.27 1.98 -0.21 0.00 0.00 178.00 179.13 2fe9 h MET 21 N -0.07 0.88 -0.91 1.05 4.05 -0.04 0.91 114.93 120.81 2fe9 h MET 21 Ca 0.27 -0.14 0.15 0.00 -0.28 0.00 0.00 59.70 59.70 2fe9 h MET 21 Cb 0.50 -0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.08 2fe9 h MET 21 CO -0.65 0.73 0.58 2.35 0.23 0.00 0.00 176.91 180.15 2fe9 h TRP 22 N 0.83 0.85 0.00 1.39 7.01 0.13 0.32 115.95 126.48 2fe9 h TRP 22 Ca 0.20 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.10 2fe9 h TRP 22 Cb 0.16 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2fe9 h TRP 22 CO 0.00 0.30 -0.62 -0.07 -2.79 0.00 0.00 178.44 175.27 2fe9 h LEU 23 N 0.71 0.00 -1.19 0.65 3.38 0.80 -3.15 115.31 116.50 2fe9 h LEU 23 Ca 0.46 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.51 2fe9 h LEU 23 Cb 0.73 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2fe9 h LEU 23 CO -0.22 0.62 0.57 0.50 0.09 0.00 0.00 178.44 180.00 2fe9 h LYS 24 N 0.00 0.90 0.00 1.13 3.64 0.21 0.96 116.57 123.42 2fe9 h LYS 24 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2fe9 h LYS 24 Cb 1.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2fe9 h LYS 24 CO 0.08 0.60 0.00 0.43 -2.27 0.00 0.00 179.45 178.29 2fe9 n SER 25 N -4.51 0.10 -0.23 4.20 7.64 -0.99 -2.14 113.62 117.68 2fe9 n SER 25 Ca 0.14 0.52 0.04 0.00 1.01 0.00 0.00 58.87 60.58 2fe9 n SER 25 Cb 0.26 -0.54 0.09 0.00 -1.01 0.00 0.00 64.21 63.00 2fe9 n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fe9 n LEU 26 N -1.60 2.45 0.00 -3.43 4.77 0.15 -3.18 117.00 116.15 2fe9 n LEU 26 Ca 0.05 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 2fe9 n LEU 26 Cb 0.27 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2fe9 n LEU 26 CO 0.21 0.61 0.00 -2.11 -1.33 0.00 0.00 177.39 174.78 2fe9 n ARG 27 N -0.50 0.00 -0.12 3.23 1.85 0.29 -4.59 116.66 116.82 2fe9 n ARG 27 Ca 0.08 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.94 2fe9 n ARG 27 Cb 0.44 -3.35 0.06 0.00 -1.05 0.00 0.00 32.46 28.55 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2fe9 n LEU 28 N 0.00 1.53 0.16 2.89 4.77 0.30 -3.80 117.00 122.86 2fe9 n LEU 28 Ca 0.00 -0.77 0.10 0.00 -0.03 0.00 0.00 56.01 55.30 2fe9 n LEU 28 Cb 0.00 -0.47 0.51 0.00 -2.33 0.00 0.00 43.42 41.13 2fe9 n LEU 28 CO 0.00 0.28 0.82 0.00 -1.33 0.00 0.00 177.39 177.17 2fe9 n HIS 29 N 0.05 0.63 -0.13 -1.77 1.44 -1.16 0.14 115.22 114.43 2fe9 n HIS 29 Ca 0.04 0.33 -0.05 0.00 -2.01 0.00 0.00 57.72 56.03 2fe9 n HIS 29 Cb 0.35 -0.96 0.04 0.00 0.12 0.00 0.00 29.99 29.54 2fe9 n HIS 29 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 2fe9 h LYS 30 N 0.00 0.23 -0.81 -1.40 2.10 -1.90 -0.19 116.57 114.60 2fe9 h LYS 30 Ca 0.00 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 2fe9 h LYS 30 Cb 0.22 -0.05 -0.09 0.00 -0.90 0.00 0.00 32.23 31.41 2fe9 h LYS 30 CO 0.00 0.15 0.19 0.66 -2.00 0.00 0.00 179.45 178.45 2fe9 n TYR 31 N -5.08 1.85 -0.20 0.07 4.01 0.12 -4.42 117.16 113.52 2fe9 n TYR 31 Ca 0.03 -0.91 -0.08 0.00 -0.16 0.00 0.00 57.90 56.78 2fe9 n TYR 31 Cb 0.18 -0.55 0.02 0.00 -0.31 0.00 0.00 39.34 38.68 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2fe9 h SER 32 N 2.14 0.75 -0.67 7.72 4.64 -0.85 0.17 113.55 127.45 2fe9 h SER 32 Ca 0.18 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2fe9 h SER 32 Cb 1.92 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.78 2fe9 h SER 32 CO 0.55 0.71 0.30 -0.78 -0.87 0.00 0.00 176.83 176.74 2fe9 h ASP 33 N 0.75 0.92 1.24 4.97 1.82 -1.77 1.28 116.42 125.63 2fe9 h ASP 33 Ca 0.19 -0.12 -0.12 0.00 -0.39 0.00 0.00 57.03 56.59 2fe9 h ASP 33 Cb 0.18 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 2fe9 h ASP 33 CO -0.02 0.80 -0.58 0.00 -1.61 0.00 0.00 179.24 177.84 2fe9 h ALA 34 N 1.34 0.68 0.00 -0.78 0.00 -1.76 -3.30 119.26 115.44 2fe9 h ALA 34 Ca 0.24 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2fe9 h ALA 34 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2fe9 h ALA 34 CO -0.03 0.72 -1.00 1.28 0.00 0.00 0.00 179.25 180.22 2fe9 n LEU 35 N -3.33 0.65 -0.07 0.00 4.32 0.56 -4.48 117.00 114.65 2fe9 n LEU 35 Ca 0.01 -0.40 -0.11 0.00 -0.02 0.00 0.00 56.01 55.49 2fe9 n LEU 35 Cb 0.73 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.48 2fe9 n LEU 35 CO 0.41 0.16 0.78 -1.28 -1.22 0.00 0.00 177.39 176.25 2fe9 h SER 36 N 0.00 0.34 0.00 -1.43 0.87 0.16 -2.25 113.55 111.24 2fe9 h SER 36 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2fe9 h SER 36 Cb 0.48 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2fe9 h SER 36 CO 0.00 0.53 0.25 1.23 -0.53 0.00 0.00 176.83 178.31 2fe9 h GLY 37 N 0.14 0.00 -6.20 5.77 0.00 -1.79 -3.38 103.07 97.62 2fe9 h GLY 37 Ca 0.06 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.74 2fe9 h GLY 37 CO 0.01 0.00 -0.73 -1.59 0.00 0.00 0.00 176.54 174.23 2fe9 s THR 38 N -3.66 3.33 1.29 4.70 2.01 -0.85 -5.12 115.64 117.33 2fe9 s THR 38 Ca -0.02 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 2fe9 s THR 38 Cb 0.06 -2.46 0.33 0.00 0.01 0.00 0.00 72.50 70.44 2fe9 s THR 38 CO 0.20 0.47 0.97 -0.81 -0.69 0.00 0.00 174.62 174.76 2fe9 n PRO 39 N 4.11 -3.79 -0.03 4.92 -0.04 -1.26 -4.64 135.00 134.27 2fe9 n PRO 39 Ca -0.18 -1.57 -0.13 0.00 -0.04 0.00 0.00 63.50 61.57 2fe9 n PRO 39 Cb 0.52 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2fe9 n PRO 39 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2fe9 h TRP 40 N -3.07 0.05 -0.73 0.54 5.08 -1.94 0.41 115.95 116.30 2fe9 h TRP 40 Ca -0.39 -0.02 0.21 0.00 1.08 0.00 0.00 58.89 59.77 2fe9 h TRP 40 Cb 1.24 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 27.36 2fe9 h TRP 40 CO 0.00 0.64 0.68 0.97 -1.28 0.00 0.00 178.44 179.45 2fe9 h ILE 41 N -0.55 0.34 0.03 0.12 6.09 -1.91 0.65 117.51 122.27 2fe9 h ILE 41 Ca -0.00 0.00 -0.37 0.00 -1.37 0.00 0.00 64.86 63.12 2fe9 h ILE 41 Cb 0.64 0.48 -0.06 0.00 0.47 0.00 0.00 36.82 38.35 2fe9 h ILE 41 CO 0.01 0.00 -2.29 -0.62 -3.07 0.00 0.00 178.15 172.18 2fe9 n GLU 42 N -3.79 0.68 0.36 2.19 -0.58 -1.17 -3.94 120.64 114.39 2fe9 n GLU 42 Ca 0.15 0.15 -0.18 0.00 -0.42 0.00 0.00 57.16 56.86 2fe9 n GLU 42 Cb 0.94 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 30.13 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2fe9 h LEU 43 N 0.02 -1.21 -1.18 -4.62 7.12 0.36 0.24 115.31 116.05 2fe9 h LEU 43 Ca -0.51 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.58 2fe9 h LEU 43 Cb 2.02 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 42.52 2fe9 h LEU 43 CO -0.01 -0.67 0.22 0.16 -0.13 0.00 0.00 178.44 178.01 2fe9 h ILE 44 N -1.06 0.00 0.00 4.05 3.07 -0.14 0.31 117.51 123.75 2fe9 h ILE 44 Ca -0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.32 2fe9 h ILE 44 Cb 0.87 0.39 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 2fe9 h ILE 44 CO 0.04 0.00 -1.36 -1.22 -1.05 0.00 0.00 178.15 174.56 2fe9 n TYR 45 N -2.21 0.00 -0.10 0.16 4.02 -0.34 -4.54 117.16 114.15 2fe9 n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2fe9 n TYR 45 Cb 0.25 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2fe9 n TYR 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2fe9 n LEU 46 N -1.79 0.00 -3.99 7.72 4.77 0.11 -5.06 117.00 118.76 2fe9 n LEU 46 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2fe9 n LEU 46 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2fe9 n LEU 46 CO 0.41 -1.07 0.21 -1.81 -1.33 0.00 0.00 177.39 173.80 2fe9 s ASP 47 N -1.85 -0.09 0.22 -1.43 1.01 -1.26 -5.00 116.67 108.26 2fe9 s ASP 47 Ca 0.00 -0.91 -0.11 0.00 0.71 0.00 0.00 52.55 52.24 2fe9 s ASP 47 Cb 0.00 0.60 0.29 0.00 1.01 0.00 0.00 42.92 44.82 2fe9 s ASP 47 CO 0.00 -1.17 1.64 -2.24 0.21 0.00 0.00 175.17 173.62 2fe9 h ASP 48 N 2.23 -0.41 0.32 0.27 2.03 -1.94 0.47 116.42 119.39 2fe9 h ASP 48 Ca -0.25 0.17 -0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2fe9 h ASP 48 Cb 1.25 0.33 -0.03 0.00 -0.83 0.00 0.00 39.33 40.05 2fe9 h ASP 48 CO 0.34 -0.16 -0.49 -0.08 -1.03 0.00 0.00 179.24 177.81 2fe9 h GLU 49 N 0.06 -0.83 -0.48 4.15 4.81 -1.96 -1.75 114.58 118.59 2fe9 h GLU 49 Ca 0.33 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.71 2fe9 h GLU 49 Cb 0.53 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 2fe9 h GLU 49 CO -0.60 -0.55 -0.14 1.15 -0.73 0.00 0.00 179.01 178.14 2fe9 h THR 50 N -0.86 0.49 -1.01 0.32 2.02 -1.72 0.20 112.91 112.34 2fe9 h THR 50 Ca -0.04 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.38 2fe9 h THR 50 Cb 0.79 0.49 -0.10 0.00 -1.74 0.00 0.00 68.15 67.58 2fe9 h THR 50 CO -0.15 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.29 2fe9 h LEU 51 N -0.02 0.61 -0.46 2.58 3.38 -0.58 0.91 115.31 121.72 2fe9 h LEU 51 Ca 0.23 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 2fe9 h LEU 51 Cb 0.38 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2fe9 h LEU 51 CO -0.51 0.15 -0.18 -0.08 0.09 0.00 0.00 178.44 177.92 2fe9 h GLU 52 N 0.56 0.94 0.00 1.13 4.81 0.22 0.81 114.58 123.05 2fe9 h GLU 52 Ca 0.59 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2fe9 h GLU 52 Cb 1.22 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2fe9 h GLU 52 CO -0.36 1.05 -0.09 0.87 -0.73 0.00 0.00 179.01 179.76 2fe9 h LYS 53 N 0.78 0.00 0.08 1.92 1.79 0.21 -3.02 116.57 118.33 2fe9 h LYS 53 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2fe9 h LYS 53 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2fe9 h LYS 53 CO 0.06 0.09 -0.04 0.87 -1.08 0.00 0.00 179.45 179.35 2fe9 h LYS 54 N 0.00 -0.10 0.00 3.15 1.79 -0.38 -3.48 116.57 117.54 2fe9 h LYS 54 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2fe9 h LYS 54 Cb 0.15 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2fe9 h LYS 54 CO 0.01 0.16 0.00 0.41 -1.08 0.00 0.00 179.45 178.95 2fe9 n GLY 55 N 1.39 0.00 3.58 3.86 0.00 -0.44 -4.76 105.19 108.81 2fe9 n GLY 55 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2fe9 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fe9 s VAL 56 N 0.00 3.57 -0.10 1.61 1.01 0.27 -4.68 120.40 122.09 2fe9 s VAL 56 Ca 0.00 -0.91 0.14 0.00 0.00 0.00 0.00 61.98 61.21 2fe9 s VAL 56 Cb 0.00 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2fe9 s VAL 56 CO 0.00 -1.06 1.29 -0.07 0.00 0.00 0.00 175.10 175.26 2fe9 h LEU 57 N 17.40 0.00 -9.01 3.92 4.07 -1.81 -2.66 115.31 127.22 2fe9 h LEU 57 Ca 0.22 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.59 2fe9 h LEU 57 Cb 0.94 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 2fe9 h LEU 57 CO 1.24 0.62 1.46 0.00 -1.08 0.00 0.00 178.44 180.68 2fe9 s ALA 58 N -2.90 2.80 0.55 1.53 0.00 -1.26 -4.80 121.76 117.68 2fe9 s ALA 58 Ca 0.02 0.80 0.29 0.00 0.00 0.00 0.00 51.96 53.07 2fe9 s ALA 58 Cb 0.08 -4.05 1.46 0.00 0.00 0.00 0.00 23.12 20.61 2fe9 s ALA 58 CO 0.77 -2.69 1.93 -0.07 0.00 0.00 0.00 175.76 175.70 2fe9 h LEU 59 N 14.64 0.00 -0.01 0.00 -0.00 -1.99 0.13 115.31 128.07 2fe9 h LEU 59 Ca -0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.35 2fe9 h LEU 59 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.90 2fe9 h LEU 59 CO 0.96 0.00 -0.45 1.23 -0.00 0.00 0.00 178.44 180.19 2fe9 h GLY 60 N 0.00 0.35 0.59 0.83 0.00 -1.97 -2.99 103.07 99.88 2fe9 h GLY 60 Ca 0.32 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2fe9 h GLY 60 CO -0.00 0.53 -0.04 0.00 0.00 0.00 0.00 176.54 177.04 2fe9 h ALA 61 N 0.31 0.06 0.57 3.60 0.00 -1.32 -2.84 119.26 119.64 2fe9 h ALA 61 Ca -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2fe9 h ALA 61 Cb 1.17 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2fe9 h ALA 61 CO 0.09 -0.17 -0.28 0.07 0.00 0.00 0.00 179.25 178.97 2fe9 h ARG 62 N -0.34 -0.74 -0.31 0.00 0.11 -1.03 -1.61 114.38 110.47 2fe9 h ARG 62 Ca 0.01 0.05 0.09 0.00 0.10 0.00 0.00 59.98 60.23 2fe9 h ARG 62 Cb 0.52 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 2fe9 h ARG 62 CO 0.01 -0.47 0.53 0.00 0.10 0.00 0.00 179.97 180.14 2fe9 h ARG 63 N -1.17 0.00 0.08 0.08 3.08 -1.68 0.36 114.38 115.13 2fe9 h ARG 63 Ca -0.08 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 2fe9 h ARG 63 Cb 0.61 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.69 2fe9 h ARG 63 CO 0.13 0.00 -0.89 0.87 -1.07 0.00 0.00 179.97 179.01 2fe9 h LYS 64 N 0.00 0.46 -0.37 0.04 1.57 -1.24 -3.22 116.57 113.82 2fe9 h LYS 64 Ca 0.15 -0.60 0.11 0.00 -1.87 0.00 0.00 60.65 58.43 2fe9 h LYS 64 Cb 1.21 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2fe9 h LYS 64 CO -0.00 1.24 0.29 -0.07 -0.57 0.00 0.00 179.45 180.34 2fe9 h LEU 65 N -0.04 0.00 -2.55 2.94 3.38 0.71 0.18 115.31 119.92 2fe9 h LEU 65 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2fe9 h LEU 65 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2fe9 h LEU 65 CO 0.17 0.00 0.02 -0.07 0.09 0.00 0.00 178.44 178.65 2fe9 h LEU 66 N 0.00 0.00 0.05 1.67 3.38 -1.49 0.23 115.31 119.16 2fe9 h LEU 66 Ca 0.17 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 2fe9 h LEU 66 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2fe9 h LEU 66 CO -0.00 0.00 -1.19 0.50 0.09 0.00 0.00 178.44 177.84 2fe9 h LYS 67 N 0.00 0.42 0.00 1.13 3.11 -0.81 -3.12 116.57 117.31 2fe9 h LYS 67 Ca 0.01 -0.59 -0.10 0.00 -2.81 0.00 0.00 60.65 57.16 2fe9 h LYS 67 Cb 0.05 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2fe9 h LYS 67 CO -0.00 1.25 -0.46 0.00 -2.81 0.00 0.00 179.45 177.43 2fe9 h ALA 68 N 0.51 0.95 -0.46 5.00 0.00 -0.89 -3.12 119.26 121.26 2fe9 h ALA 68 Ca -0.14 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2fe9 h ALA 68 Cb 1.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2fe9 h ALA 68 CO 0.21 0.58 -0.02 0.74 0.00 0.00 0.00 179.25 180.75 2fe9 h PHE 69 N 0.00 0.91 -0.11 0.00 0.04 -0.64 -3.07 116.94 114.06 2fe9 h PHE 69 Ca -0.00 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.54 2fe9 h PHE 69 Cb 1.01 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 2fe9 h PHE 69 CO 0.00 0.88 -0.15 0.78 -0.60 0.00 0.00 178.31 179.22 2fe9 h GLY 70 N 0.67 0.33 0.60 -1.45 0.00 -1.51 -1.92 103.07 99.78 2fe9 h GLY 70 Ca 0.13 -0.35 0.13 0.00 0.00 0.00 0.00 47.33 47.24 2fe9 h GLY 70 CO 0.03 0.32 0.56 -2.22 0.00 0.00 0.00 176.54 175.22 2fe9 h ILE 71 N -0.12 0.85 -0.08 2.60 2.04 -1.61 -0.09 117.51 121.11 2fe9 h ILE 71 Ca 0.01 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 2fe9 h ILE 71 Cb 0.69 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2fe9 h ILE 71 CO 0.03 0.12 -0.16 0.58 0.00 0.00 0.00 178.15 178.72 2fe9 h VAL 72 N 0.67 1.41 -0.99 1.67 2.07 -1.49 -2.98 116.25 116.61 2fe9 h VAL 72 Ca 0.42 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.58 2fe9 h VAL 72 Cb 0.68 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.57 2fe9 h VAL 72 CO -0.18 0.42 0.63 0.40 0.02 0.00 0.00 177.57 178.85 2fe9 h ILE 73 N -0.24 0.92 0.76 4.57 2.04 -0.43 0.22 117.51 125.35 2fe9 h ILE 73 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 2fe9 h ILE 73 Cb 0.76 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2fe9 h ILE 73 CO 0.04 0.18 -0.37 -0.78 0.00 0.00 0.00 178.15 177.22 2fe9 h ASP 74 N 0.97 -0.87 -0.50 1.72 3.58 -1.07 0.70 116.42 120.94 2fe9 h ASP 74 Ca 0.49 0.03 0.12 0.00 0.42 0.00 0.00 57.03 58.09 2fe9 h ASP 74 Cb 0.50 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2fe9 h ASP 74 CO -0.26 -0.53 0.35 1.88 -2.88 0.00 0.00 179.24 177.80 2fe9 h TYR 75 N -1.21 0.18 -0.56 0.28 -1.99 -1.35 0.74 116.97 113.07 2fe9 h TYR 75 Ca -0.10 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.53 2fe9 h TYR 75 Cb 0.78 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.44 2fe9 h TYR 75 CO 0.01 0.08 -0.06 -0.22 -0.00 0.00 0.00 178.16 177.98 2fe9 h LYS 76 N 0.17 1.03 0.00 4.88 3.64 -0.29 0.32 116.57 126.31 2fe9 h LYS 76 Ca 0.24 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2fe9 h LYS 76 Cb 0.71 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2fe9 h LYS 76 CO -0.04 1.04 -0.16 0.93 -2.27 0.00 0.00 179.45 178.96 2fe9 h GLU 77 N 0.91 0.00 -0.65 1.90 5.08 0.54 -3.05 114.58 119.30 2fe9 h GLU 77 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2fe9 h GLU 77 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2fe9 h GLU 77 CO 0.04 0.16 0.00 0.54 -1.00 0.00 0.00 179.01 178.75 2fe9 n ARG 78 N -3.21 3.96 -2.47 2.33 1.74 0.21 -4.89 116.66 114.32 2fe9 n ARG 78 Ca 0.02 -2.54 -0.12 0.00 -0.77 0.00 0.00 57.85 54.44 2fe9 n ARG 78 Cb 0.48 -2.04 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2fe9 n ASP 79 N 0.63 -3.67 0.03 0.55 8.00 -1.09 -4.83 116.55 116.17 2fe9 n ASP 79 Ca 0.23 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.71 2fe9 n ASP 79 Cb 0.96 -3.13 -0.14 0.00 -0.02 0.00 0.00 41.12 38.79 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2fe9 h LEU 80 N -0.03 0.45 -9.71 0.64 4.07 -0.62 -3.46 115.31 106.66 2fe9 h LEU 80 Ca -0.27 -0.88 -0.52 0.00 0.08 0.00 0.00 57.88 56.28 2fe9 h LEU 80 Cb 1.20 -0.15 0.03 0.00 1.08 0.00 0.00 40.66 42.82 2fe9 h LEU 80 CO 0.32 1.64 0.59 -0.63 -1.08 0.00 0.00 178.44 179.28 2fe9 s ILE 81 N -2.50 3.32 0.27 1.22 1.01 -1.10 -4.96 121.20 118.47 2fe9 s ILE 81 Ca -0.18 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 2fe9 s ILE 81 Cb 0.04 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.66 2fe9 s ILE 81 CO 0.79 0.20 1.63 -0.62 0.00 0.00 0.00 174.94 176.95 2fe9 s ASP 82 N 0.01 6.37 0.19 3.58 -1.08 -1.26 -4.83 116.67 119.64 2fe9 s ASP 82 Ca 0.53 2.93 0.14 0.00 -0.52 0.00 0.00 52.55 55.63 2fe9 s ASP 82 Cb -0.35 -2.63 0.73 0.00 -1.46 0.00 0.00 42.92 39.22 2fe9 s ASP 82 CO 0.40 -0.94 1.43 0.54 0.52 0.00 0.00 175.17 177.12 2fe9 n ARG 83 N 2.66 0.09 -0.14 4.34 5.12 -1.26 -1.27 116.66 126.20 2fe9 n ARG 83 Ca 0.10 0.55 -0.03 0.00 -1.93 0.00 0.00 57.85 56.54 2fe9 n ARG 83 Cb 0.37 -1.77 0.17 0.00 -1.16 0.00 0.00 32.46 30.07 2fe9 n ARG 83 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2fe9 h SER 84 N 0.00 0.80 -0.45 0.55 0.02 -2.02 -2.62 113.55 109.84 2fe9 h SER 84 Ca 0.00 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2fe9 h SER 84 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2fe9 h SER 84 CO 0.00 0.79 0.05 0.00 -1.14 0.00 0.00 176.83 176.53 2fe9 h ALA 85 N 1.31 0.59 0.00 3.77 0.00 -1.52 -3.51 119.26 119.90 2fe9 h ALA 85 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fe9 h ALA 85 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2fe9 h ALA 85 CO 0.00 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.24