#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 s ASN 2 N 0.00 3.67 -0.59 -3.46 4.22 -1.26 -5.04 114.94 112.47 2fe9 s ASN 2 Ca 0.00 -1.46 -0.03 0.00 -2.14 0.00 0.00 52.86 49.24 2fe9 s ASN 2 Cb 0.00 -0.08 0.20 0.00 1.28 0.00 0.00 41.25 42.65 2fe9 s ASN 2 CO 0.00 -0.60 2.41 -1.20 -2.04 0.00 0.00 177.10 175.67 2fe9 n SER 3 N -1.02 6.92 -3.49 3.54 7.64 -1.26 -4.81 113.62 121.15 2fe9 n SER 3 Ca -0.08 -3.45 -0.21 0.00 1.01 0.00 0.00 58.87 56.14 2fe9 n SER 3 Cb 0.67 -1.14 0.06 0.00 -1.01 0.00 0.00 64.21 62.78 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2fe9 n SER 4 N 0.22 -4.48 -4.55 6.43 7.64 -1.26 -4.19 113.62 113.42 2fe9 n SER 4 Ca 0.50 -0.81 -0.38 0.00 1.01 0.00 0.00 58.87 59.20 2fe9 n SER 4 Cb 0.45 -4.45 -0.03 0.00 -1.01 0.00 0.00 64.21 59.17 2fe9 n SER 4 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2fe9 s MET 5 N -5.29 2.84 -0.53 1.43 -1.94 -1.26 -4.47 119.30 110.08 2fe9 s MET 5 Ca 0.30 0.14 -0.18 0.00 -1.71 0.00 0.00 55.69 54.25 2fe9 s MET 5 Cb -0.07 -4.48 0.09 0.00 2.01 0.00 0.00 34.83 32.37 2fe9 s MET 5 CO 0.79 -2.62 0.56 -0.80 -0.01 0.00 0.00 175.02 172.94 2fe9 s ASN 6 N 6.67 6.19 0.26 3.03 -0.87 -1.26 -4.92 114.94 124.04 2fe9 s ASN 6 Ca 0.57 -1.31 0.15 0.00 -1.57 0.00 0.00 52.86 50.70 2fe9 s ASN 6 Cb -0.10 -2.25 0.81 0.00 -0.02 0.00 0.00 41.25 39.69 2fe9 s ASN 6 CO 0.14 -0.88 1.40 -2.65 -2.57 0.00 0.00 177.10 172.55 2fe9 n PRO 7 N 5.80 0.10 -0.06 -0.60 -0.02 -1.26 -0.36 135.00 138.60 2fe9 n PRO 7 Ca -0.10 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 2fe9 n PRO 7 Cb 0.43 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 2fe9 n PRO 7 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2fe9 h LYS 8 N 0.00 -0.01 -0.03 -0.52 6.56 -1.95 -3.26 116.57 117.36 2fe9 h LYS 8 Ca 0.00 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.38 2fe9 h LYS 8 Cb 0.23 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.91 2fe9 h LYS 8 CO 0.00 0.55 -0.81 0.77 -2.06 0.00 0.00 179.45 177.90 2fe9 h SER 9 N -1.00 0.77 0.00 0.86 0.02 -1.76 -2.99 113.55 109.45 2fe9 h SER 9 Ca -0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2fe9 h SER 9 Cb 0.55 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2fe9 h SER 9 CO 0.00 1.38 0.02 0.18 -1.14 0.00 0.00 176.83 177.27 2fe9 n LEU 10 N -4.02 0.27 -0.36 5.07 4.77 0.52 -1.03 117.00 122.21 2fe9 n LEU 10 Ca -0.10 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 2fe9 n LEU 10 Cb 0.77 -0.64 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2fe9 n LEU 10 CO 0.52 -0.70 0.43 0.35 -1.33 0.00 0.00 177.39 176.66 2fe9 n THR 11 N -1.85 1.53 -3.81 -5.08 -2.24 -1.17 -4.70 114.28 96.96 2fe9 n THR 11 Ca -0.01 -2.04 -0.37 0.00 -2.27 0.00 0.00 64.05 59.36 2fe9 n THR 11 Cb 0.03 -0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.60 4.96 0.65 3.42 2.15 -0.20 -4.58 116.67 120.48 2fe9 s ASP 12 Ca 0.28 -0.82 0.09 0.00 0.43 0.00 0.00 52.55 52.53 2fe9 s ASP 12 Cb 0.26 -1.82 0.50 0.00 -0.30 0.00 0.00 42.92 41.56 2fe9 s ASP 12 CO -0.01 -0.20 1.27 -0.65 -0.17 0.00 0.00 175.17 175.41 2fe9 h PRO 13 N 8.17 0.00 0.49 4.34 0.11 -1.90 0.49 132.00 143.71 2fe9 h PRO 13 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2fe9 h PRO 13 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2fe9 h PRO 13 CO 0.59 0.00 -0.24 -0.22 -0.21 0.00 0.00 178.00 177.93 2fe9 h LYS 14 N 0.00 -0.64 -0.12 1.05 3.11 -1.93 0.13 116.57 118.16 2fe9 h LYS 14 Ca 0.00 0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.77 2fe9 h LYS 14 Cb 1.57 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 2fe9 h LYS 14 CO 0.00 -0.40 -0.37 -0.07 -2.81 0.00 0.00 179.45 175.80 2fe9 h LEU 15 N -0.71 0.54 -0.34 5.20 -0.00 -1.17 -2.87 115.31 115.95 2fe9 h LEU 15 Ca -0.07 -0.60 0.07 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 15 Cb 0.53 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 2fe9 h LEU 15 CO 0.11 1.04 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.41 2fe9 h LEU 16 N 0.07 -0.41 -1.74 1.67 3.38 -1.37 0.20 115.31 117.10 2fe9 h LEU 16 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2fe9 h LEU 16 Cb 0.99 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2fe9 h LEU 16 CO 0.08 -0.15 -0.11 0.11 0.09 0.00 0.00 178.44 178.46 2fe9 h LYS 17 N -0.04 0.00 -2.25 1.13 1.57 -0.81 -3.22 116.57 112.94 2fe9 h LYS 17 Ca 0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.33 2fe9 h LYS 17 Cb 0.30 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.20 2fe9 h LYS 17 CO -0.38 0.11 -0.49 -1.71 -0.57 0.00 0.00 179.45 176.42 2fe9 n ASN 18 N -3.42 4.01 -0.34 0.86 5.15 0.63 -4.95 115.26 117.19 2fe9 n ASN 18 Ca -0.01 -3.46 0.09 0.00 -0.60 0.00 0.00 54.58 50.60 2fe9 n ASN 18 Cb 0.28 -0.71 0.19 0.00 -0.53 0.00 0.00 39.78 39.01 2fe9 n ASN 18 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2fe9 h ILE 19 N 3.18 0.04 -0.82 -1.44 1.08 -1.37 0.66 117.51 118.84 2fe9 h ILE 19 Ca 0.20 -0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.87 2fe9 h ILE 19 Cb 0.65 0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 34.30 2fe9 h ILE 19 CO 0.88 0.00 0.20 -0.65 -0.69 0.00 0.00 178.15 177.89 2fe9 h PRO 20 N 0.01 0.23 -0.24 2.37 0.11 -1.84 0.40 132.00 133.04 2fe9 h PRO 20 Ca 0.51 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.46 2fe9 h PRO 20 Cb 0.90 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2fe9 h PRO 20 CO -0.96 0.15 -0.45 1.98 -0.21 0.00 0.00 178.00 178.52 2fe9 h MET 21 N 0.23 0.72 -0.94 1.05 4.05 -0.09 -2.11 114.93 117.85 2fe9 h MET 21 Ca 0.49 -0.46 0.17 0.00 -0.28 0.00 0.00 59.70 59.62 2fe9 h MET 21 Cb 0.93 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.70 2fe9 h MET 21 CO -0.60 1.08 0.60 2.35 0.23 0.00 0.00 176.91 180.57 2fe9 h TRP 22 N 0.45 0.83 0.00 1.39 7.01 0.21 0.33 115.95 126.16 2fe9 h TRP 22 Ca 0.01 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.90 2fe9 h TRP 22 Cb 1.05 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 2fe9 h TRP 22 CO 0.08 0.25 -0.63 -0.07 -2.79 0.00 0.00 178.44 175.28 2fe9 h LEU 23 N 0.65 0.00 -1.15 0.65 3.38 -0.19 -3.17 115.31 115.47 2fe9 h LEU 23 Ca 0.49 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.54 2fe9 h LEU 23 Cb 0.89 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2fe9 h LEU 23 CO -0.25 0.63 0.59 0.50 0.09 0.00 0.00 178.44 180.00 2fe9 h LYS 24 N 0.00 0.96 0.00 1.13 3.11 0.35 0.74 116.57 122.86 2fe9 h LYS 24 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2fe9 h LYS 24 Cb 1.30 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 2fe9 h LYS 24 CO 0.08 0.64 0.00 0.43 -2.81 0.00 0.00 179.45 177.79 2fe9 n SER 25 N -4.50 0.37 -0.57 4.20 7.64 -1.04 -2.62 113.62 117.09 2fe9 n SER 25 Ca 0.14 0.55 0.06 0.00 1.01 0.00 0.00 58.87 60.64 2fe9 n SER 25 Cb 0.23 -0.64 0.08 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.86 2.31 -0.16 -3.43 4.77 0.12 -4.67 117.00 114.09 2fe9 n LEU 26 Ca 0.05 -1.22 -0.02 0.00 -0.03 0.00 0.00 56.01 54.79 2fe9 n LEU 26 Cb 0.32 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 2fe9 n LEU 26 CO 0.24 0.47 -0.02 0.54 -1.33 0.00 0.00 177.39 177.30 2fe9 n ARG 27 N 0.72 -1.21 -0.81 3.23 5.12 0.21 -4.68 116.66 119.24 2fe9 n ARG 27 Ca 0.09 0.42 0.02 0.00 -1.93 0.00 0.00 57.85 56.44 2fe9 n ARG 27 Cb 0.35 -4.38 0.31 0.00 -1.16 0.00 0.00 32.46 27.59 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 -0.23 5.23 0.11 0.55 4.77 0.37 -4.35 117.00 123.45 2fe9 n LEU 28 Ca -0.02 -3.15 0.07 0.00 -0.03 0.00 0.00 56.01 52.89 2fe9 n LEU 28 Cb 0.33 -0.67 0.39 0.00 -2.33 0.00 0.00 43.42 41.15 2fe9 n LEU 28 CO 0.03 0.77 0.72 0.00 -1.33 0.00 0.00 177.39 177.58 2fe9 n HIS 29 N -0.15 0.49 -0.18 -1.77 1.44 -1.17 -0.08 115.22 113.80 2fe9 n HIS 29 Ca 0.32 0.25 0.01 0.00 -2.01 0.00 0.00 57.72 56.29 2fe9 n HIS 29 Cb 1.18 -0.90 0.27 0.00 0.12 0.00 0.00 29.99 30.65 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 0.92 -0.51 -1.40 2.10 -1.90 -0.95 116.57 114.83 2fe9 h LYS 30 Ca 0.00 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.51 2fe9 h LYS 30 Cb 0.02 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.09 2fe9 h LYS 30 CO 0.00 0.62 0.08 0.66 -2.00 0.00 0.00 179.45 178.81 2fe9 n TYR 31 N -4.42 1.76 -0.12 0.07 4.01 0.88 -4.57 117.16 114.78 2fe9 n TYR 31 Ca 0.07 -0.99 -0.09 0.00 -0.16 0.00 0.00 57.90 56.74 2fe9 n TYR 31 Cb 0.04 -0.50 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 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 2.67 0.45 -0.96 7.72 4.64 -1.01 0.22 113.55 127.27 2fe9 h SER 32 Ca 0.10 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2fe9 h SER 32 Cb 1.90 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.82 2fe9 h SER 32 CO 0.48 0.40 0.63 -0.78 -0.87 0.00 0.00 176.83 176.69 2fe9 h ASP 33 N 0.47 1.06 1.33 4.97 1.82 -1.81 1.38 116.42 125.64 2fe9 h ASP 33 Ca 0.13 -0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 2fe9 h ASP 33 Cb 0.04 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 2fe9 h ASP 33 CO -0.02 0.74 -0.51 0.00 -1.61 0.00 0.00 179.24 177.83 2fe9 h ALA 34 N 1.43 0.71 -0.00 -0.78 0.00 -1.75 -3.30 119.26 115.56 2fe9 h ALA 34 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2fe9 h ALA 34 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2fe9 h ALA 34 CO -0.11 0.64 -0.55 1.28 0.00 0.00 0.00 179.25 180.51 2fe9 n LEU 35 N -3.29 1.08 -0.06 0.00 4.32 0.72 -4.54 117.00 115.24 2fe9 n LEU 35 Ca 0.01 -0.61 -0.12 0.00 -0.02 0.00 0.00 56.01 55.27 2fe9 n LEU 35 Cb 0.71 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.45 2fe9 n LEU 35 CO 0.40 0.23 0.71 -1.28 -1.22 0.00 0.00 177.39 176.23 2fe9 h SER 36 N 0.73 0.35 0.00 -1.43 0.87 0.18 -2.59 113.55 111.66 2fe9 h SER 36 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2fe9 h SER 36 Cb 0.43 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2fe9 h SER 36 CO 0.00 0.64 0.24 0.61 -0.53 0.00 0.00 176.83 177.79 2fe9 n GLY 37 N -0.14 -0.67 3.43 5.77 0.00 -1.26 -4.32 105.19 108.00 2fe9 n GLY 37 Ca -0.05 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 3.49 1.15 2.61 2.01 -0.98 -5.12 115.64 115.43 2fe9 s THR 38 Ca -0.02 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.29 2fe9 s THR 38 Cb 0.04 -2.51 0.29 0.00 0.01 0.00 0.00 72.50 70.33 2fe9 s THR 38 CO 0.14 0.50 1.01 -0.81 -0.69 0.00 0.00 174.62 174.77 2fe9 n PRO 39 N 3.58 -3.07 -0.03 4.92 -0.04 -1.26 -4.68 135.00 134.41 2fe9 n PRO 39 Ca -0.18 -1.62 -0.13 0.00 -0.04 0.00 0.00 63.50 61.53 2fe9 n PRO 39 Cb 0.52 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.68 0.04 -0.42 0.54 5.08 -1.93 0.45 115.95 117.03 2fe9 h TRP 40 Ca -0.38 -0.02 0.12 0.00 1.08 0.00 0.00 58.89 59.69 2fe9 h TRP 40 Cb 1.17 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.31 2fe9 h TRP 40 CO 0.00 0.64 0.54 0.97 -1.28 0.00 0.00 178.44 179.31 2fe9 h ILE 41 N -0.56 0.26 0.01 0.12 6.09 -1.90 0.61 117.51 122.13 2fe9 h ILE 41 Ca -0.00 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.11 2fe9 h ILE 41 Cb 0.64 0.55 -0.06 0.00 0.47 0.00 0.00 36.82 38.42 2fe9 h ILE 41 CO 0.01 0.00 -2.37 -0.62 -3.07 0.00 0.00 178.15 172.09 2fe9 n GLU 42 N -3.49 0.67 0.31 2.19 -0.58 -1.16 -3.97 120.64 114.61 2fe9 n GLU 42 Ca 0.08 0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.77 2fe9 n GLU 42 Cb 0.71 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.01 -0.97 0.00 -4.62 7.12 0.31 0.20 115.31 117.36 2fe9 h LEU 43 Ca -0.54 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2fe9 h LEU 43 Cb 2.02 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 42.45 2fe9 h LEU 43 CO -0.03 -0.57 0.00 2.30 -0.13 0.00 0.00 178.44 180.01 2fe9 n ILE 44 N -5.50 1.36 0.34 4.05 -5.35 0.18 -0.34 119.36 114.10 2fe9 n ILE 44 Ca -0.12 0.34 0.06 0.00 -0.27 0.00 0.00 62.75 62.76 2fe9 n ILE 44 Cb 0.40 -1.34 -0.08 0.00 -1.74 0.00 0.00 39.64 36.87 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 -1.34 0.00 -0.15 4.28 4.02 -0.13 -4.42 117.16 119.42 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 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 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 -1.58 0.00 -3.70 7.72 4.77 0.54 -5.06 117.00 119.69 2fe9 n LEU 46 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2fe9 n LEU 46 Cb 0.26 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2fe9 n LEU 46 CO 0.26 -1.16 0.26 1.51 -1.33 0.00 0.00 177.39 176.94 2fe9 s ASP 47 N -1.82 -0.28 0.26 -1.43 1.47 -1.26 -5.00 116.67 108.60 2fe9 s ASP 47 Ca 0.00 -0.42 -0.06 0.00 1.18 0.00 0.00 52.55 53.24 2fe9 s ASP 47 Cb 0.00 0.56 0.47 0.00 -0.34 0.00 0.00 42.92 43.62 2fe9 s ASP 47 CO 0.00 -1.02 1.62 -2.24 0.68 0.00 0.00 175.17 174.21 2fe9 h ASP 48 N 2.21 -0.44 -0.29 2.11 2.03 -1.94 0.26 116.42 120.37 2fe9 h ASP 48 Ca -0.30 0.22 0.05 0.00 -0.73 0.00 0.00 57.03 56.27 2fe9 h ASP 48 Cb 1.26 0.40 -0.04 0.00 -0.83 0.00 0.00 39.33 40.12 2fe9 h ASP 48 CO 0.39 -0.22 0.01 -0.08 -1.03 0.00 0.00 179.24 178.31 2fe9 h GLU 49 N 0.07 0.10 0.19 4.15 4.81 -1.96 -1.19 114.58 120.75 2fe9 h GLU 49 Ca 0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 2fe9 h GLU 49 Cb 0.79 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2fe9 h GLU 49 CO -0.74 0.07 -0.09 1.15 -0.73 0.00 0.00 179.01 178.67 2fe9 h THR 50 N 0.10 0.84 -1.01 0.32 2.02 -0.96 -2.00 112.91 112.23 2fe9 h THR 50 Ca 0.14 -0.11 0.23 0.00 0.77 0.00 0.00 66.41 67.44 2fe9 h THR 50 Cb 0.17 0.91 -0.12 0.00 -1.74 0.00 0.00 68.15 67.37 2fe9 h THR 50 CO -0.22 0.03 0.61 -0.07 0.37 0.00 0.00 175.52 176.23 2fe9 h LEU 51 N -0.30 0.70 -0.65 2.58 4.07 -0.85 0.59 115.31 121.45 2fe9 h LEU 51 Ca -0.03 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2fe9 h LEU 51 Cb 0.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 2fe9 h LEU 51 CO 0.04 0.17 0.33 -0.08 -1.08 0.00 0.00 178.44 177.82 2fe9 h GLU 52 N 0.63 0.92 -0.57 1.13 4.81 -0.75 0.54 114.58 121.30 2fe9 h GLU 52 Ca 0.62 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2fe9 h GLU 52 Cb 1.13 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 2fe9 h GLU 52 CO -0.43 0.72 0.36 0.87 -0.73 0.00 0.00 179.01 179.80 2fe9 h LYS 53 N 0.89 0.76 0.21 1.92 1.79 0.82 -2.96 116.57 120.00 2fe9 h LYS 53 Ca 0.22 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2fe9 h LYS 53 Cb 0.08 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2fe9 h LYS 53 CO -0.03 0.51 -0.10 0.87 -1.08 0.00 0.00 179.45 179.62 2fe9 h LYS 54 N 0.78 -0.28 0.00 3.15 1.79 -0.38 -3.47 116.57 118.15 2fe9 h LYS 54 Ca 0.21 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2fe9 h LYS 54 Cb -0.06 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2fe9 h LYS 54 CO -0.04 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.84 2fe9 n GLY 55 N 0.37 0.00 3.58 3.86 0.00 -0.12 -4.76 105.19 108.11 2fe9 n GLY 55 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 3.58 0.09 1.61 1.01 0.17 -4.68 120.40 122.19 2fe9 s VAL 56 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2fe9 s VAL 56 Cb 0.00 -4.59 -0.23 0.00 0.00 0.00 0.00 36.38 31.55 2fe9 s VAL 56 CO 0.00 -1.07 1.16 -0.07 0.00 0.00 0.00 175.10 175.12 2fe9 h LEU 57 N 17.35 0.12 -8.78 3.92 4.07 -1.81 -2.78 115.31 127.41 2fe9 h LEU 57 Ca 0.23 -0.13 -0.63 0.00 0.08 0.00 0.00 57.88 57.42 2fe9 h LEU 57 Cb 0.94 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2fe9 h LEU 57 CO 1.24 1.11 1.44 0.00 -1.08 0.00 0.00 178.44 181.14 2fe9 n ALA 58 N -2.43 1.39 -0.03 1.53 0.00 -1.26 -4.78 120.51 114.93 2fe9 n ALA 58 Ca -0.05 -0.13 0.23 0.00 0.00 0.00 0.00 53.44 53.49 2fe9 n ALA 58 Cb 0.98 -2.71 0.71 0.00 0.00 0.00 0.00 19.45 18.43 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 13.41 0.00 0.00 0.00 -0.00 -1.99 0.12 115.31 126.85 2fe9 h LEU 59 Ca -0.34 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.31 2fe9 h LEU 59 Cb 1.28 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.96 2fe9 h LEU 59 CO 0.99 0.00 -0.87 1.23 -0.00 0.00 0.00 178.44 179.79 2fe9 h GLY 60 N 0.00 0.65 0.42 0.83 0.00 -1.98 -3.02 103.07 99.97 2fe9 h GLY 60 Ca 0.29 -1.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 2fe9 h GLY 60 CO -0.00 1.01 -0.06 0.00 0.00 0.00 0.00 176.54 177.49 2fe9 h ALA 61 N 0.36 0.03 0.50 3.60 0.00 -1.25 -3.08 119.26 119.41 2fe9 h ALA 61 Ca -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2fe9 h ALA 61 Cb 1.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2fe9 h ALA 61 CO 0.17 -0.10 -0.24 0.07 0.00 0.00 0.00 179.25 179.15 2fe9 h ARG 62 N -0.55 -0.64 -0.41 0.00 0.11 -1.06 -2.14 114.38 109.68 2fe9 h ARG 62 Ca -0.00 0.04 0.12 0.00 0.10 0.00 0.00 59.98 60.24 2fe9 h ARG 62 Cb 0.72 0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.93 2fe9 h ARG 62 CO 0.01 -0.39 0.55 0.00 0.10 0.00 0.00 179.97 180.25 2fe9 h ARG 63 N -1.13 0.00 0.07 0.08 3.08 -1.71 0.21 114.38 114.97 2fe9 h ARG 63 Ca -0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 2fe9 h ARG 63 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.63 2fe9 h ARG 63 CO 0.11 0.00 -0.84 0.87 -1.07 0.00 0.00 179.97 179.04 2fe9 h LYS 64 N 0.00 0.45 -0.22 0.04 1.57 -1.43 -3.20 116.57 113.78 2fe9 h LYS 64 Ca 0.19 -0.58 0.06 0.00 -1.87 0.00 0.00 60.65 58.46 2fe9 h LYS 64 Cb 1.30 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 2fe9 h LYS 64 CO -0.00 1.22 0.22 -0.07 -0.57 0.00 0.00 179.45 180.25 2fe9 h LEU 65 N -0.05 0.00 -2.43 2.94 3.38 0.09 0.17 115.31 119.41 2fe9 h LEU 65 Ca -0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2fe9 h LEU 65 Cb 1.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2fe9 h LEU 65 CO 0.16 0.00 0.11 -0.07 0.09 0.00 0.00 178.44 178.73 2fe9 h LEU 66 N 0.00 0.00 0.11 1.67 3.38 -1.48 0.26 115.31 119.24 2fe9 h LEU 66 Ca 0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 66 Cb 0.54 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.32 2fe9 h LEU 66 CO -0.00 0.00 -1.17 0.50 0.09 0.00 0.00 178.44 177.86 2fe9 h LYS 67 N 0.00 0.59 0.00 1.13 3.64 -0.83 -3.11 116.57 118.00 2fe9 h LYS 67 Ca 0.04 -0.79 -0.02 0.00 -1.27 0.00 0.00 60.65 58.61 2fe9 h LYS 67 Cb 0.26 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2fe9 h LYS 67 CO -0.00 1.35 -0.11 0.00 -2.27 0.00 0.00 179.45 178.42 2fe9 h ALA 68 N 0.27 1.06 -0.18 5.00 0.00 -0.82 -2.81 119.26 121.77 2fe9 h ALA 68 Ca -0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2fe9 h ALA 68 Cb 1.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2fe9 h ALA 68 CO 0.22 0.14 -0.36 0.74 0.00 0.00 0.00 179.25 179.99 2fe9 h PHE 69 N 0.00 0.71 -0.03 0.00 0.04 -0.59 -3.14 116.94 113.93 2fe9 h PHE 69 Ca -0.00 -0.26 -0.07 0.00 2.80 0.00 0.00 57.97 60.45 2fe9 h PHE 69 Cb 0.55 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2fe9 h PHE 69 CO 0.00 1.00 -0.24 0.78 -0.60 0.00 0.00 178.31 179.25 2fe9 h GLY 70 N 0.23 0.24 0.60 -1.45 0.00 -1.46 -2.86 103.07 98.37 2fe9 h GLY 70 Ca 0.01 -0.36 0.15 0.00 0.00 0.00 0.00 47.33 47.13 2fe9 h GLY 70 CO 0.08 0.32 0.53 -2.22 0.00 0.00 0.00 176.54 175.25 2fe9 h ILE 71 N -0.36 0.79 -0.10 2.60 2.04 -1.63 -1.11 117.51 119.74 2fe9 h ILE 71 Ca -0.02 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 2fe9 h ILE 71 Cb 0.92 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2fe9 h ILE 71 CO 0.05 0.09 -0.16 0.58 0.00 0.00 0.00 178.15 178.71 2fe9 h VAL 72 N 0.49 1.38 0.03 1.67 2.07 -1.58 -3.15 116.25 117.16 2fe9 h VAL 72 Ca 0.40 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2fe9 h VAL 72 Cb 0.85 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 2fe9 h VAL 72 CO -0.15 0.40 -0.30 0.40 0.02 0.00 0.00 177.57 177.94 2fe9 h ILE 73 N -0.15 0.34 -0.35 4.57 2.04 -0.99 -0.64 117.51 122.33 2fe9 h ILE 73 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2fe9 h ILE 73 Cb 0.72 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2fe9 h ILE 73 CO 0.04 0.00 -0.21 -0.78 0.00 0.00 0.00 178.15 177.20 2fe9 h ASP 74 N -0.47 -0.69 -0.51 1.72 3.58 -1.44 0.56 116.42 119.18 2fe9 h ASP 74 Ca 0.06 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2fe9 h ASP 74 Cb 0.54 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2fe9 h ASP 74 CO -0.24 -0.24 0.31 1.88 -2.88 0.00 0.00 179.24 178.07 2fe9 h TYR 75 N -0.16 0.69 -0.02 0.28 -1.99 -1.45 0.88 116.97 115.20 2fe9 h TYR 75 Ca 0.18 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 2fe9 h TYR 75 Cb 0.43 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 2fe9 h TYR 75 CO -0.42 0.47 0.01 -0.22 -0.00 0.00 0.00 178.16 178.00 2fe9 h LYS 76 N 0.72 0.03 0.00 4.88 3.64 0.60 0.39 116.57 126.83 2fe9 h LYS 76 Ca 0.19 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2fe9 h LYS 76 Cb -0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2fe9 h LYS 76 CO -0.03 0.12 0.00 0.93 -2.27 0.00 0.00 179.45 178.19 2fe9 h GLU 77 N -0.06 0.00 -0.66 1.90 5.08 0.11 -2.33 114.58 118.62 2fe9 h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2fe9 h GLU 77 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2fe9 h GLU 77 CO -0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 2fe9 n ARG 78 N -2.42 3.03 -1.50 2.33 1.74 0.29 -4.90 116.66 115.23 2fe9 n ARG 78 Ca 0.02 -2.52 -0.17 0.00 -0.77 0.00 0.00 57.85 54.41 2fe9 n ARG 78 Cb 0.27 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.25 -5.28 0.07 0.55 2.03 -0.88 -4.84 116.55 109.46 2fe9 n ASP 79 Ca 0.23 0.43 -0.16 0.00 0.52 0.00 0.00 54.79 55.81 2fe9 n ASP 79 Cb 0.70 -4.30 -0.14 0.00 -0.72 0.00 0.00 41.12 36.66 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 0.36 -9.51 -2.67 4.07 -0.43 -3.45 115.31 103.67 2fe9 h LEU 80 Ca -0.35 -0.46 -0.55 0.00 0.08 0.00 0.00 57.88 56.60 2fe9 h LEU 80 Cb 1.19 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.78 2fe9 h LEU 80 CO 0.52 1.38 0.16 -0.63 -1.08 0.00 0.00 178.44 178.78 2fe9 s ILE 81 N -2.63 4.78 0.21 1.22 1.01 -0.80 -4.96 121.20 120.02 2fe9 s ILE 81 Ca -0.07 1.62 -0.32 0.00 0.00 0.00 0.00 60.65 61.88 2fe9 s ILE 81 Cb 0.07 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 2fe9 s ILE 81 CO 0.86 0.34 1.64 -0.67 0.00 0.00 0.00 174.94 177.11 2fe9 n ASP 82 N 2.96 3.63 0.10 3.58 -0.08 -1.26 -4.82 116.55 120.66 2fe9 n ASP 82 Ca -0.02 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.42 2fe9 n ASP 82 Cb 0.50 -1.53 0.37 0.00 2.34 0.00 0.00 41.12 42.81 2fe9 n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2fe9 n ARG 83 N 3.38 0.09 0.02 -0.67 5.12 -1.26 -1.08 116.66 122.26 2fe9 n ARG 83 Ca 0.15 0.58 -0.02 0.00 -1.93 0.00 0.00 57.85 56.63 2fe9 n ARG 83 Cb 0.33 -1.80 0.24 0.00 -1.16 0.00 0.00 32.46 30.08 2fe9 n ARG 83 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2fe9 h SER 84 N 0.00 0.46 -0.80 0.55 0.87 -2.02 -2.67 113.55 109.94 2fe9 h SER 84 Ca 0.00 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 2fe9 h SER 84 Cb 0.01 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 2fe9 h SER 84 CO 0.00 0.66 0.32 0.00 -0.53 0.00 0.00 176.83 177.27 2fe9 h ALA 85 N 1.39 1.04 0.00 6.23 0.00 -1.45 -3.51 119.26 122.96 2fe9 h ALA 85 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fe9 h ALA 85 Cb 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2fe9 h ALA 85 CO 0.04 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.62