#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 -2.21 -3.85 -3.46 4.13 -1.26 -4.90 115.26 103.71 2fe9 n ASN 2 Ca 0.00 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.97 2fe9 n ASN 2 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2fe9 n SER 3 N -3.17 -2.47 -0.54 6.41 3.41 -1.24 -4.88 113.62 111.14 2fe9 n SER 3 Ca 0.00 -1.02 0.05 0.00 -0.26 0.00 0.00 58.87 57.64 2fe9 n SER 3 Cb 0.00 -3.13 0.15 0.00 -0.26 0.00 0.00 64.21 60.96 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 -2.82 2.92 -3.34 4.04 7.64 -1.26 -5.00 113.62 115.80 2fe9 n SER 4 Ca -0.22 -2.26 -0.18 0.00 1.01 0.00 0.00 58.87 57.22 2fe9 n SER 4 Cb 0.64 -0.26 0.07 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.02 -2.17 -1.53 1.43 2.81 -1.26 -4.82 117.12 111.60 2fe9 n MET 5 Ca 0.12 0.79 -0.43 0.00 -1.81 0.00 0.00 57.70 56.37 2fe9 n MET 5 Cb 0.50 -5.51 -0.05 0.00 -0.71 0.00 0.00 33.22 27.44 2fe9 n MET 5 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2fe9 n ASN 6 N -3.12 2.33 0.07 7.83 4.13 -1.26 -4.79 115.26 120.45 2fe9 n ASN 6 Ca -0.08 0.01 0.06 0.00 1.68 0.00 0.00 54.58 56.25 2fe9 n ASN 6 Cb 0.62 -1.42 0.29 0.00 -1.54 0.00 0.00 39.78 37.73 2fe9 n ASN 6 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2fe9 n PRO 7 N 8.67 0.07 -0.02 3.52 -0.02 -1.26 -0.35 135.00 145.61 2fe9 n PRO 7 Ca 0.39 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.35 2fe9 n PRO 7 Cb 0.38 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2fe9 n PRO 7 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2fe9 h LYS 8 N 0.00 -0.06 -0.38 -0.52 -0.00 -1.96 -3.29 116.57 110.37 2fe9 h LYS 8 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.50 2fe9 h LYS 8 Cb 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.32 2fe9 h LYS 8 CO 0.00 -0.04 -0.37 0.77 -0.00 0.00 0.00 179.45 179.81 2fe9 h SER 9 N -0.90 0.95 0.13 7.07 0.02 -1.87 -2.74 113.55 116.22 2fe9 h SER 9 Ca -0.01 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2fe9 h SER 9 Cb 0.05 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2fe9 h SER 9 CO 0.01 1.21 0.00 0.18 -1.14 0.00 0.00 176.83 177.09 2fe9 n LEU 10 N -4.06 0.29 -0.15 5.07 4.77 0.53 -1.28 117.00 122.17 2fe9 n LEU 10 Ca -0.02 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 2fe9 n LEU 10 Cb 0.54 -0.64 0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2fe9 n LEU 10 CO 0.48 -0.66 0.52 0.35 -1.33 0.00 0.00 177.39 176.75 2fe9 n THR 11 N -1.87 1.66 -3.79 -5.08 -2.24 -1.05 -4.66 114.28 97.24 2fe9 n THR 11 Ca 0.00 -2.02 -0.37 0.00 -2.27 0.00 0.00 64.05 59.39 2fe9 n THR 11 Cb 0.06 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.66 5.10 0.66 3.42 2.15 -0.41 -4.55 116.67 120.38 2fe9 s ASP 12 Ca 0.28 -0.94 0.10 0.00 0.43 0.00 0.00 52.55 52.43 2fe9 s ASP 12 Cb 0.25 -1.84 0.55 0.00 -0.30 0.00 0.00 42.92 41.58 2fe9 s ASP 12 CO 0.02 -0.24 1.31 -0.65 -0.17 0.00 0.00 175.17 175.43 2fe9 h PRO 13 N 8.19 0.00 0.39 4.34 0.11 -1.91 0.11 132.00 143.23 2fe9 h PRO 13 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 2fe9 h PRO 13 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2fe9 h PRO 13 CO 0.60 0.00 -0.19 -0.22 -0.21 0.00 0.00 178.00 177.98 2fe9 h LYS 14 N 0.00 -0.50 -0.07 1.05 3.11 -1.93 0.10 116.57 118.33 2fe9 h LYS 14 Ca 0.02 0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.60 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 2fe9 h LYS 14 CO -0.00 -0.31 -0.26 -0.07 -2.81 0.00 0.00 179.45 176.00 2fe9 h LEU 15 N -0.56 0.36 -0.44 5.20 -0.00 -1.04 -2.74 115.31 116.09 2fe9 h LEU 15 Ca -0.05 -0.62 0.09 0.00 -0.00 0.00 0.00 57.88 57.30 2fe9 h LEU 15 Cb 0.42 -0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 40.89 2fe9 h LEU 15 CO 0.09 0.92 -0.17 -0.07 -0.00 0.00 0.00 178.44 179.21 2fe9 h LEU 16 N -0.18 -0.59 -1.44 1.67 3.38 -1.35 0.34 115.31 117.13 2fe9 h LEU 16 Ca -0.01 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2fe9 h LEU 16 Cb 0.89 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2fe9 h LEU 16 CO 0.06 -0.20 -0.12 0.11 0.09 0.00 0.00 178.44 178.38 2fe9 h LYS 17 N -0.08 0.00 -2.34 1.13 1.57 -0.87 -3.19 116.57 112.79 2fe9 h LYS 17 Ca 0.21 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.33 2fe9 h LYS 17 Cb 0.40 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.34 2fe9 h LYS 17 CO -0.49 0.12 -0.15 -1.71 -0.57 0.00 0.00 179.45 176.64 2fe9 n ASN 18 N -3.30 4.99 -0.32 0.86 5.15 0.11 -4.94 115.26 117.81 2fe9 n ASN 18 Ca -0.00 -3.57 0.04 0.00 -0.60 0.00 0.00 54.58 50.45 2fe9 n ASN 18 Cb 0.34 -0.79 0.10 0.00 -0.53 0.00 0.00 39.78 38.90 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 0.37 -0.39 -0.25 -1.44 2.08 -0.69 0.11 119.36 119.16 2fe9 n ILE 19 Ca 0.32 2.00 0.04 0.00 0.56 0.00 0.00 62.75 65.68 2fe9 n ILE 19 Cb 0.37 -2.74 0.15 0.00 -0.75 0.00 0.00 39.64 36.66 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 0.12 -0.35 0.38 0.11 -1.84 0.49 132.00 130.90 2fe9 h PRO 20 Ca 0.39 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.44 2fe9 h PRO 20 Cb 0.61 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2fe9 h PRO 20 CO -0.89 0.08 -0.00 1.98 -0.21 0.00 0.00 178.00 178.96 2fe9 h MET 21 N 0.12 0.63 -0.87 1.05 4.05 0.48 -1.64 114.93 118.75 2fe9 h MET 21 Ca 0.40 -0.20 0.17 0.00 -0.28 0.00 0.00 59.70 59.78 2fe9 h MET 21 Cb 0.69 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.36 2fe9 h MET 21 CO -0.62 0.74 0.57 2.35 0.23 0.00 0.00 176.91 180.18 2fe9 h TRP 22 N 0.44 0.67 0.00 1.39 7.01 0.20 0.30 115.95 125.97 2fe9 h TRP 22 Ca 0.10 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.02 2fe9 h TRP 22 Cb 0.46 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2fe9 h TRP 22 CO 0.04 0.22 -0.47 -0.07 -2.79 0.00 0.00 178.44 175.37 2fe9 h LEU 23 N 0.54 0.00 -1.23 0.65 3.38 0.29 -3.17 115.31 115.77 2fe9 h LEU 23 Ca 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 2fe9 h LEU 23 Cb 0.90 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2fe9 h LEU 23 CO -0.19 0.47 0.26 0.11 0.09 0.00 0.00 178.44 179.19 2fe9 h LYS 24 N 0.00 0.79 0.00 1.13 1.57 0.55 1.24 116.57 121.85 2fe9 h LYS 24 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2fe9 h LYS 24 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2fe9 h LYS 24 CO 0.06 0.62 0.00 0.43 -0.57 0.00 0.00 179.45 179.99 2fe9 n SER 25 N -4.36 0.00 -0.15 0.86 7.64 -1.08 -2.37 113.62 114.16 2fe9 n SER 25 Ca 0.05 0.36 0.03 0.00 1.01 0.00 0.00 58.87 60.32 2fe9 n SER 25 Cb 0.13 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.45 1.02 0.00 -3.43 4.77 0.40 -3.68 117.00 114.63 2fe9 n LEU 26 Ca 0.07 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2fe9 n LEU 26 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2fe9 n LEU 26 CO 0.20 0.21 0.00 0.54 -1.33 0.00 0.00 177.39 177.02 2fe9 n ARG 27 N -0.25 -0.02 -0.28 3.23 5.12 0.39 -4.09 116.66 120.76 2fe9 n ARG 27 Ca 0.03 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.98 2fe9 n ARG 27 Cb 0.13 -3.25 0.14 0.00 -1.16 0.00 0.00 32.46 28.31 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2fe9 n LEU 28 N 0.00 2.42 0.11 0.55 7.99 0.59 -3.91 117.00 124.76 2fe9 n LEU 28 Ca 0.00 -1.22 0.08 0.00 -0.01 0.00 0.00 56.01 54.85 2fe9 n LEU 28 Cb 0.00 -0.50 0.41 0.00 -0.11 0.00 0.00 43.42 43.22 2fe9 n LEU 28 CO 0.00 0.37 0.73 0.00 -1.51 0.00 0.00 177.39 176.98 2fe9 n HIS 29 N 0.22 0.51 -0.14 -1.77 1.44 -1.13 0.08 115.22 114.42 2fe9 n HIS 29 Ca 0.09 0.26 0.05 0.00 -2.01 0.00 0.00 57.72 56.12 2fe9 n HIS 29 Cb 0.52 -0.92 0.36 0.00 0.12 0.00 0.00 29.99 30.07 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 0.71 -0.53 -1.40 2.10 -1.90 -0.21 116.57 115.34 2fe9 h LYS 30 Ca 0.00 -0.04 -0.20 0.00 -2.00 0.00 0.00 60.65 58.41 2fe9 h LYS 30 Cb 0.00 -0.16 -0.12 0.00 -0.90 0.00 0.00 32.23 31.05 2fe9 h LYS 30 CO 0.00 0.47 0.14 0.66 -2.00 0.00 0.00 179.45 178.72 2fe9 n TYR 31 N -4.47 1.71 -0.11 0.07 4.01 0.11 -4.64 117.16 113.84 2fe9 n TYR 31 Ca 0.09 -1.38 -0.09 0.00 -0.16 0.00 0.00 57.90 56.36 2fe9 n TYR 31 Cb 0.17 -0.57 -0.01 0.00 -0.31 0.00 0.00 39.34 38.62 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 1.59 0.44 -0.48 7.72 4.64 -0.92 0.14 113.55 126.68 2fe9 h SER 32 Ca 0.25 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2fe9 h SER 32 Cb 1.97 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.92 2fe9 h SER 32 CO 0.55 0.42 0.24 -0.78 -0.87 0.00 0.00 176.83 176.39 2fe9 h ASP 33 N 0.43 0.65 0.94 4.97 3.58 -1.82 1.14 116.42 126.30 2fe9 h ASP 33 Ca 0.12 -0.06 -0.18 0.00 0.42 0.00 0.00 57.03 57.33 2fe9 h ASP 33 Cb 0.08 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2fe9 h ASP 33 CO -0.02 0.56 -0.87 0.00 -2.88 0.00 0.00 179.24 176.03 2fe9 h ALA 34 N 1.54 0.53 0.00 -0.78 0.00 -1.75 -3.32 119.26 115.48 2fe9 h ALA 34 Ca 0.18 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2fe9 h ALA 34 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2fe9 h ALA 34 CO -0.02 1.09 -1.20 1.28 0.00 0.00 0.00 179.25 180.40 2fe9 n LEU 35 N -3.45 0.63 -0.18 0.00 4.32 0.45 -4.43 117.00 114.34 2fe9 n LEU 35 Ca -0.00 -0.35 -0.08 0.00 -0.02 0.00 0.00 56.01 55.56 2fe9 n LEU 35 Cb 0.85 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.66 2fe9 n LEU 35 CO 0.45 0.16 0.95 -1.28 -1.22 0.00 0.00 177.39 176.45 2fe9 h SER 36 N 0.00 0.73 0.00 -1.43 0.87 0.12 -1.65 113.55 112.19 2fe9 h SER 36 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2fe9 h SER 36 Cb 0.58 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2fe9 h SER 36 CO 0.00 0.71 0.10 0.61 -0.53 0.00 0.00 176.83 177.71 2fe9 n GLY 37 N -0.78 -0.72 3.30 5.77 0.00 -1.26 -4.35 105.19 107.15 2fe9 n GLY 37 Ca 0.02 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2fe9 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fe9 s THR 38 N -3.37 2.79 1.32 2.61 2.01 -0.62 -5.13 115.64 115.25 2fe9 s THR 38 Ca -0.02 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 2fe9 s THR 38 Cb 0.05 -2.17 0.33 0.00 0.01 0.00 0.00 72.50 70.71 2fe9 s THR 38 CO 0.14 0.52 1.04 -2.16 -0.69 0.00 0.00 174.62 173.47 2fe9 s PRO 39 N 0.62 -2.15 -0.02 4.92 0.04 -1.26 -4.67 135.00 132.48 2fe9 s PRO 39 Ca -0.08 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.63 2fe9 s PRO 39 Cb -0.16 -1.49 -0.20 0.00 0.04 0.00 0.00 34.50 32.69 2fe9 s PRO 39 CO 0.03 -4.32 1.19 0.11 0.04 0.00 0.00 177.00 174.05 2fe9 h TRP 40 N -3.01 0.20 -0.76 0.56 5.08 -1.94 0.36 115.95 116.45 2fe9 h TRP 40 Ca -0.42 -0.08 0.22 0.00 1.08 0.00 0.00 58.89 59.69 2fe9 h TRP 40 Cb 1.30 -0.04 -0.03 0.00 -3.00 0.00 0.00 29.16 27.40 2fe9 h TRP 40 CO -3.02 0.73 0.67 0.97 -1.28 0.00 0.00 178.44 176.50 2fe9 h ILE 41 N -0.38 0.38 0.03 0.12 6.09 -1.91 0.66 117.51 122.49 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 0.73 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.46 2fe9 h ILE 41 CO 0.03 0.00 -2.27 -0.62 -3.07 0.00 0.00 178.15 172.22 2fe9 n GLU 42 N -3.89 0.68 0.42 2.19 1.02 -1.16 -3.96 120.64 115.94 2fe9 n GLU 42 Ca 0.16 0.15 -0.19 0.00 -0.02 0.00 0.00 57.16 57.25 2fe9 n GLU 42 Cb 0.94 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.67 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2fe9 h LEU 43 N 0.01 -1.25 0.00 -4.62 7.12 0.30 0.19 115.31 117.07 2fe9 h LEU 43 Ca -0.51 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.58 2fe9 h LEU 43 Cb 2.03 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 42.53 2fe9 h LEU 43 CO -0.00 -0.74 0.04 2.30 -0.13 0.00 0.00 178.44 179.90 2fe9 n ILE 44 N -5.55 1.25 0.34 4.05 -5.35 0.20 -0.19 119.36 114.11 2fe9 n ILE 44 Ca -0.14 0.35 0.06 0.00 -0.27 0.00 0.00 62.75 62.75 2fe9 n ILE 44 Cb 0.50 -1.35 -0.08 0.00 -1.74 0.00 0.00 39.64 36.97 2fe9 n ILE 44 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2fe9 n TYR 45 N -1.30 0.00 -0.08 4.28 4.02 -0.38 -4.46 117.16 119.24 2fe9 n TYR 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2fe9 n TYR 45 Cb 0.04 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 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 -1.51 0.00 -4.02 7.72 4.77 0.74 -5.06 117.00 119.64 2fe9 n LEU 46 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2fe9 n LEU 46 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2fe9 n LEU 46 CO 0.24 -0.94 0.14 -1.81 -1.33 0.00 0.00 177.39 173.69 2fe9 s ASP 47 N -1.86 -0.05 0.17 -1.43 1.01 -1.26 -5.02 116.67 108.24 2fe9 s ASP 47 Ca 0.00 -0.98 -0.21 0.00 0.71 0.00 0.00 52.55 52.07 2fe9 s ASP 47 Cb 0.00 0.57 0.10 0.00 1.01 0.00 0.00 42.92 44.60 2fe9 s ASP 47 CO 0.00 -1.12 1.61 -2.24 0.21 0.00 0.00 175.17 173.63 2fe9 h ASP 48 N 2.28 -0.93 0.15 0.27 2.03 -1.94 -0.28 116.42 117.99 2fe9 h ASP 48 Ca -0.27 0.19 0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2fe9 h ASP 48 Cb 1.25 0.47 -0.05 0.00 -0.83 0.00 0.00 39.33 40.17 2fe9 h ASP 48 CO 0.37 -0.29 -0.51 -0.08 -1.03 0.00 0.00 179.24 177.71 2fe9 h GLU 49 N -0.18 -0.73 -0.57 4.15 4.81 -1.96 -2.01 114.58 118.09 2fe9 h GLU 49 Ca 0.20 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 2fe9 h GLU 49 Cb 0.51 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 29.94 2fe9 h GLU 49 CO -0.55 -0.48 -0.19 1.15 -0.73 0.00 0.00 179.01 178.20 2fe9 h THR 50 N -0.75 0.36 -1.00 0.32 2.02 -1.79 0.32 112.91 112.39 2fe9 h THR 50 Ca -0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2fe9 h THR 50 Cb 0.76 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 2fe9 h THR 50 CO -0.26 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.17 2fe9 h LEU 51 N -0.05 0.69 -0.59 2.58 3.38 -0.59 0.68 115.31 121.41 2fe9 h LEU 51 Ca 0.27 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 2fe9 h LEU 51 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2fe9 h LEU 51 CO -0.61 0.21 -0.19 -0.08 0.09 0.00 0.00 178.44 177.87 2fe9 h GLU 52 N 0.65 0.93 0.00 1.13 4.81 0.27 0.57 114.58 122.95 2fe9 h GLU 52 Ca 0.58 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2fe9 h GLU 52 Cb 1.06 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2fe9 h GLU 52 CO -0.37 1.03 -0.12 0.87 -0.73 0.00 0.00 179.01 179.70 2fe9 h LYS 53 N 0.81 0.00 0.04 1.92 1.79 0.18 -3.14 116.57 118.17 2fe9 h LYS 53 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2fe9 h LYS 53 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2fe9 h LYS 53 CO 0.06 0.12 -0.02 0.87 -1.08 0.00 0.00 179.45 179.40 2fe9 h LYS 54 N 0.00 -0.05 0.00 3.15 1.79 -0.33 -3.48 116.57 117.65 2fe9 h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2fe9 h LYS 54 Cb 0.23 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2fe9 h LYS 54 CO 0.02 -0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 2fe9 n GLY 55 N 1.68 0.00 3.56 3.86 0.00 -0.25 -4.78 105.19 109.26 2fe9 n GLY 55 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 3.43 -0.00 1.61 1.01 0.18 -4.72 120.40 121.91 2fe9 s VAL 56 Ca 0.00 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.69 2fe9 s VAL 56 Cb 0.00 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.16 2fe9 s VAL 56 CO 0.00 -0.89 0.84 -0.07 0.00 0.00 0.00 175.10 174.98 2fe9 h LEU 57 N 18.18 0.00 -9.02 3.92 4.07 -1.83 -2.48 115.31 128.14 2fe9 h LEU 57 Ca 0.10 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.48 2fe9 h LEU 57 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 2fe9 h LEU 57 CO 1.20 0.98 1.47 0.00 -1.08 0.00 0.00 178.44 181.01 2fe9 n ALA 58 N -2.49 1.76 -0.02 1.53 0.00 -1.26 -4.79 120.51 115.25 2fe9 n ALA 58 Ca -0.12 -0.20 0.23 0.00 0.00 0.00 0.00 53.44 53.35 2fe9 n ALA 58 Cb 1.01 -2.90 0.72 0.00 0.00 0.00 0.00 19.45 18.29 2fe9 n ALA 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fe9 h LEU 59 N 14.57 0.00 -0.00 0.00 -0.00 -1.99 0.15 115.31 128.03 2fe9 h LEU 59 Ca -0.42 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 59 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2fe9 h LEU 59 CO 0.96 0.00 -0.68 1.23 -0.00 0.00 0.00 178.44 179.95 2fe9 h GLY 60 N 0.00 0.52 0.49 0.83 0.00 -1.98 -2.98 103.07 99.95 2fe9 h GLY 60 Ca 0.28 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 2fe9 h GLY 60 CO -0.00 0.80 -0.14 0.00 0.00 0.00 0.00 176.54 177.19 2fe9 h ALA 61 N 0.34 0.06 0.51 3.60 0.00 -1.20 -2.98 119.26 119.58 2fe9 h ALA 61 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2fe9 h ALA 61 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2fe9 h ALA 61 CO 0.13 -0.01 -0.24 0.07 0.00 0.00 0.00 179.25 179.20 2fe9 h ARG 62 N -0.44 -0.65 -0.29 0.00 0.11 -1.07 -0.92 114.38 111.11 2fe9 h ARG 62 Ca -0.01 0.04 0.08 0.00 0.10 0.00 0.00 59.98 60.20 2fe9 h ARG 62 Cb 0.80 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2fe9 h ARG 62 CO 0.03 -0.37 0.49 0.00 0.10 0.00 0.00 179.97 180.21 2fe9 h ARG 63 N -1.09 0.00 0.17 0.08 3.08 -1.69 0.39 114.38 115.32 2fe9 h ARG 63 Ca -0.07 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 2fe9 h ARG 63 Cb 0.59 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.67 2fe9 h ARG 63 CO 0.11 0.00 -1.22 0.87 -1.07 0.00 0.00 179.97 178.66 2fe9 h LYS 64 N 0.00 0.52 -0.28 0.04 1.79 -1.33 -3.24 116.57 114.07 2fe9 h LYS 64 Ca 0.14 -0.79 0.08 0.00 -2.18 0.00 0.00 60.65 57.90 2fe9 h LYS 64 Cb 1.11 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2fe9 h LYS 64 CO -0.00 1.37 0.23 -0.07 -1.08 0.00 0.00 179.45 179.90 2fe9 h LEU 65 N 0.07 0.00 -2.55 2.94 3.38 0.12 0.21 115.31 119.48 2fe9 h LEU 65 Ca -0.20 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2fe9 h LEU 65 Cb 1.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 2fe9 h LEU 65 CO 0.23 0.00 0.04 -0.07 0.09 0.00 0.00 178.44 178.73 2fe9 h LEU 66 N 0.00 0.00 -0.01 1.67 3.38 -1.49 0.24 115.31 119.09 2fe9 h LEU 66 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 2fe9 h LEU 66 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 2fe9 h LEU 66 CO -0.00 0.00 -1.04 0.50 0.09 0.00 0.00 178.44 177.99 2fe9 h LYS 67 N 0.00 0.68 0.00 1.13 1.63 -0.74 -3.03 116.57 116.24 2fe9 h LYS 67 Ca 0.01 -0.74 -0.03 0.00 -0.85 0.00 0.00 60.65 59.04 2fe9 h LYS 67 Cb 0.08 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2fe9 h LYS 67 CO -0.00 1.31 -0.17 0.00 -3.45 0.00 0.00 179.45 177.15 2fe9 h ALA 68 N 0.43 1.00 -0.26 5.00 0.00 -0.75 -2.99 119.26 121.69 2fe9 h ALA 68 Ca -0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2fe9 h ALA 68 Cb 1.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2fe9 h ALA 68 CO 0.20 0.21 -0.43 0.74 0.00 0.00 0.00 179.25 179.97 2fe9 h PHE 69 N 0.00 0.94 -0.05 0.00 0.04 -0.59 -3.19 116.94 114.09 2fe9 h PHE 69 Ca -0.00 -0.32 -0.09 0.00 2.80 0.00 0.00 57.97 60.35 2fe9 h PHE 69 Cb 0.73 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2fe9 h PHE 69 CO 0.00 1.11 -0.32 0.78 -0.60 0.00 0.00 178.31 179.28 2fe9 h GLY 70 N 0.50 0.34 0.60 -1.45 0.00 -1.44 -2.81 103.07 98.81 2fe9 h GLY 70 Ca 0.02 -0.50 0.14 0.00 0.00 0.00 0.00 47.33 46.99 2fe9 h GLY 70 CO 0.10 0.45 0.54 -2.22 0.00 0.00 0.00 176.54 175.41 2fe9 h ILE 71 N -0.21 0.82 -0.18 2.60 2.04 -1.64 -0.67 117.51 120.28 2fe9 h ILE 71 Ca -0.03 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 2fe9 h ILE 71 Cb 0.99 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2fe9 h ILE 71 CO 0.07 0.10 -0.30 0.58 0.00 0.00 0.00 178.15 178.60 2fe9 h VAL 72 N 0.57 1.34 0.18 1.67 2.07 -1.58 -2.88 116.25 117.63 2fe9 h VAL 72 Ca 0.41 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2fe9 h VAL 72 Cb 0.77 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2fe9 h VAL 72 CO -0.17 0.46 -0.22 0.40 0.02 0.00 0.00 177.57 178.06 2fe9 h ILE 73 N 0.16 0.51 0.36 4.57 2.04 -0.90 0.20 117.51 124.44 2fe9 h ILE 73 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2fe9 h ILE 73 Cb 0.88 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2fe9 h ILE 73 CO 0.07 0.00 -0.36 -0.78 0.00 0.00 0.00 178.15 177.08 2fe9 h ASP 74 N -0.46 -0.98 -0.42 1.72 1.82 -1.31 0.32 116.42 117.12 2fe9 h ASP 74 Ca 0.01 0.08 0.08 0.00 -0.39 0.00 0.00 57.03 56.81 2fe9 h ASP 74 Cb 0.45 0.33 -0.02 0.00 0.68 0.00 0.00 39.33 40.76 2fe9 h ASP 74 CO -0.08 -0.50 0.29 1.88 -1.61 0.00 0.00 179.24 179.21 2fe9 h TYR 75 N -0.75 0.22 -0.25 0.28 0.05 -1.44 0.51 116.97 115.60 2fe9 h TYR 75 Ca -0.03 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2fe9 h TYR 75 Cb 0.67 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2fe9 h TYR 75 CO -0.21 0.11 0.09 -0.22 -1.05 0.00 0.00 178.16 176.89 2fe9 h LYS 76 N 0.22 0.38 0.00 4.88 3.64 0.31 0.14 116.57 126.13 2fe9 h LYS 76 Ca 0.19 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2fe9 h LYS 76 Cb 0.48 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2fe9 h LYS 76 CO -0.03 0.44 -0.18 0.93 -2.27 0.00 0.00 179.45 178.33 2fe9 h GLU 77 N 0.24 0.00 -0.63 1.90 4.39 0.29 -2.44 114.58 118.34 2fe9 h GLU 77 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2fe9 h GLU 77 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2fe9 h GLU 77 CO -0.00 0.18 0.00 0.54 -1.16 0.00 0.00 179.01 178.57 2fe9 n ARG 78 N -3.61 2.60 -1.93 2.33 1.74 0.15 -4.86 116.66 113.08 2fe9 n ARG 78 Ca -0.01 -1.56 -0.18 0.00 -0.77 0.00 0.00 57.85 55.33 2fe9 n ARG 78 Cb 0.31 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 2fe9 n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fe9 n ASP 79 N 0.45 -5.01 0.10 0.55 2.03 -0.92 -4.82 116.55 108.93 2fe9 n ASP 79 Ca 0.14 0.27 0.04 0.00 0.52 0.00 0.00 54.79 55.76 2fe9 n ASP 79 Cb 0.58 -4.35 -0.01 0.00 -0.72 0.00 0.00 41.12 36.63 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2fe9 h LEU 80 N 0.00 0.00 -9.40 -2.67 4.07 -0.92 -3.45 115.31 102.94 2fe9 h LEU 80 Ca -0.40 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.95 2fe9 h LEU 80 Cb 1.25 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.89 2fe9 h LEU 80 CO 0.53 0.40 -0.35 -0.63 -1.08 0.00 0.00 178.44 177.30 2fe9 s ILE 81 N -3.04 5.31 0.18 1.22 1.01 -1.11 -4.97 121.20 119.81 2fe9 s ILE 81 Ca 0.01 0.49 -0.33 0.00 0.00 0.00 0.00 60.65 60.81 2fe9 s ILE 81 Cb 0.08 -3.58 -0.13 0.00 0.01 0.00 0.00 42.46 38.84 2fe9 s ILE 81 CO 0.77 0.46 1.65 -0.67 0.00 0.00 0.00 174.94 177.15 2fe9 n ASP 82 N 3.06 3.52 0.10 3.58 2.03 -1.26 -4.81 116.55 122.77 2fe9 n ASP 82 Ca -0.14 1.07 0.07 0.00 0.52 0.00 0.00 54.79 56.31 2fe9 n ASP 82 Cb 0.52 -1.50 0.38 0.00 -0.72 0.00 0.00 41.12 39.81 2fe9 n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2fe9 n ARG 83 N 3.69 0.09 0.04 -0.67 5.12 -1.26 -1.00 116.66 122.67 2fe9 n ARG 83 Ca 0.17 0.58 -0.01 0.00 -1.93 0.00 0.00 57.85 56.66 2fe9 n ARG 83 Cb 0.32 -1.80 0.27 0.00 -1.16 0.00 0.00 32.46 30.09 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 0.42 -0.35 0.55 0.02 -2.03 -2.77 113.55 109.39 2fe9 h SER 84 Ca 0.00 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2fe9 h SER 84 Cb 0.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2fe9 h SER 84 CO 0.00 0.60 0.03 0.00 -1.14 0.00 0.00 176.83 176.32 2fe9 h ALA 85 N 1.44 0.47 0.00 3.77 0.00 -1.43 -3.51 119.26 120.00 2fe9 h ALA 85 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2fe9 h ALA 85 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2fe9 h ALA 85 CO 0.03 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.14