#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 5.99 -0.29 6.43 3.84 -1.26 -4.92 114.94 124.73 2fe9 s ASN 2 Ca 0.00 -1.91 0.05 0.00 0.21 0.00 0.00 52.86 51.21 2fe9 s ASN 2 Cb 0.00 -2.12 0.52 0.00 -0.55 0.00 0.00 41.25 39.10 2fe9 s ASN 2 CO 0.00 -0.76 1.61 -1.54 -2.79 0.00 0.00 177.10 173.62 2fe9 n SER 3 N 5.00 3.79 -4.67 -4.21 3.41 -1.26 -3.36 113.62 112.32 2fe9 n SER 3 Ca -0.09 -3.06 -0.42 0.00 -0.26 0.00 0.00 58.87 55.04 2fe9 n SER 3 Cb 0.41 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fe9 s SER 4 N -0.66 6.45 -1.17 4.04 0.01 -1.26 -4.80 113.70 116.32 2fe9 s SER 4 Ca 0.41 2.68 -0.22 0.00 1.31 0.00 0.00 55.95 60.14 2fe9 s SER 4 Cb 0.34 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.96 2fe9 s SER 4 CO 0.09 -1.02 1.91 0.23 0.41 0.00 0.00 173.24 174.85 2fe9 n MET 5 N 6.64 1.89 -1.93 12.44 2.81 -1.26 -4.61 117.12 133.11 2fe9 n MET 5 Ca 0.19 -2.54 -0.42 0.00 -1.81 0.00 0.00 57.70 53.12 2fe9 n MET 5 Cb 0.40 -3.59 -0.03 0.00 -0.71 0.00 0.00 33.22 29.29 2fe9 n MET 5 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2fe9 s ASN 6 N 5.85 5.64 0.07 7.83 -0.87 -1.26 -4.83 114.94 127.37 2fe9 s ASN 6 Ca 0.64 1.21 0.09 0.00 -1.57 0.00 0.00 52.86 53.24 2fe9 s ASN 6 Cb 0.02 -2.52 0.42 0.00 -0.02 0.00 0.00 41.25 39.15 2fe9 s ASN 6 CO 0.12 -1.92 1.28 -2.65 -2.57 0.00 0.00 177.10 171.35 2fe9 n PRO 7 N 8.62 0.04 -0.06 -0.60 -0.02 -1.26 -0.64 135.00 141.08 2fe9 n PRO 7 Ca 0.24 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2fe9 n PRO 7 Cb 0.48 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.00 0.05 -0.52 6.56 -1.95 -3.25 116.57 117.46 2fe9 h LYS 8 Ca 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.32 2fe9 h LYS 8 Cb 0.09 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2fe9 h LYS 8 CO 0.00 0.86 -1.12 0.77 -2.06 0.00 0.00 179.45 177.90 2fe9 h SER 9 N -0.99 0.84 0.19 0.86 0.02 -1.81 -2.75 113.55 109.91 2fe9 h SER 9 Ca -0.00 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2fe9 h SER 9 Cb 0.86 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2fe9 h SER 9 CO 0.00 1.52 0.00 0.18 -1.14 0.00 0.00 176.83 177.39 2fe9 n LEU 10 N -3.80 0.00 -0.21 5.07 4.77 0.19 -1.59 117.00 121.42 2fe9 n LEU 10 Ca -0.11 0.45 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 2fe9 n LEU 10 Cb 0.92 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2fe9 n LEU 10 CO 0.56 -0.35 0.44 0.35 -1.33 0.00 0.00 177.39 177.06 2fe9 n THR 11 N -1.45 1.08 -3.78 -5.08 -2.24 -1.18 -4.59 114.28 97.04 2fe9 n THR 11 Ca 0.02 -1.28 -0.37 0.00 -2.27 0.00 0.00 64.05 60.15 2fe9 n THR 11 Cb 0.07 0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.95 5.15 0.66 3.42 -1.08 -0.62 -4.52 116.67 117.73 2fe9 s ASP 12 Ca 0.17 -0.99 0.08 0.00 -0.52 0.00 0.00 52.55 51.30 2fe9 s ASP 12 Cb 0.15 -1.85 0.45 0.00 -1.46 0.00 0.00 42.92 40.21 2fe9 s ASP 12 CO 0.02 -0.26 1.25 -0.65 0.52 0.00 0.00 175.17 176.04 2fe9 h PRO 13 N 8.20 0.00 0.47 4.34 0.11 -1.90 0.86 132.00 144.08 2fe9 h PRO 13 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2fe9 h PRO 13 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2fe9 h PRO 13 CO 0.60 0.00 -0.35 -0.22 -0.21 0.00 0.00 178.00 177.82 2fe9 h LYS 14 N 0.00 -0.78 -0.08 1.05 3.11 -1.93 0.20 116.57 118.14 2fe9 h LYS 14 Ca 0.00 0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.84 2fe9 h LYS 14 Cb 1.64 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 33.05 2fe9 h LYS 14 CO -0.00 -0.52 -0.18 -0.07 -2.81 0.00 0.00 179.45 175.87 2fe9 h LEU 15 N -0.81 0.29 -0.70 5.20 -0.00 -1.08 -2.41 115.31 115.81 2fe9 h LEU 15 Ca -0.05 -0.58 0.14 0.00 -0.00 0.00 0.00 57.88 57.40 2fe9 h LEU 15 Cb 0.69 -0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.16 2fe9 h LEU 15 CO 0.01 0.82 0.20 -0.07 -0.00 0.00 0.00 178.44 179.40 2fe9 h LEU 16 N -0.21 0.09 -0.76 1.67 3.38 -1.40 0.30 115.31 118.38 2fe9 h LEU 16 Ca 0.00 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2fe9 h LEU 16 Cb 0.77 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2fe9 h LEU 16 CO 0.04 0.02 -0.48 0.11 0.09 0.00 0.00 178.44 178.22 2fe9 h LYS 17 N 0.32 0.00 -2.44 1.13 1.57 -0.65 -3.30 116.57 113.20 2fe9 h LYS 17 Ca 0.39 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.48 2fe9 h LYS 17 Cb 0.61 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.56 2fe9 h LYS 17 CO -0.45 0.48 -0.01 -1.71 -0.57 0.00 0.00 179.45 177.20 2fe9 n ASN 18 N -3.57 5.05 -0.34 0.86 5.15 0.98 -4.93 115.26 118.47 2fe9 n ASN 18 Ca -0.00 -3.49 0.07 0.00 -0.60 0.00 0.00 54.58 50.55 2fe9 n ASN 18 Cb 0.58 -0.89 0.15 0.00 -0.53 0.00 0.00 39.78 39.09 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 0.77 -0.40 -0.27 -1.44 2.08 -0.67 0.89 119.36 120.31 2fe9 n ILE 19 Ca 0.30 2.16 0.08 0.00 0.56 0.00 0.00 62.75 65.85 2fe9 n ILE 19 Cb 0.37 -3.01 0.21 0.00 -0.75 0.00 0.00 39.64 36.46 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 0.18 -0.29 0.38 0.11 -1.84 0.42 132.00 130.96 2fe9 h PRO 20 Ca 0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 2fe9 h PRO 20 Cb 0.75 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2fe9 h PRO 20 CO -0.96 0.12 -0.35 1.98 -0.21 0.00 0.00 178.00 178.57 2fe9 h MET 21 N 0.19 0.75 -0.91 1.05 4.05 0.23 -1.82 114.93 118.46 2fe9 h MET 21 Ca 0.46 -0.42 0.18 0.00 -0.28 0.00 0.00 59.70 59.64 2fe9 h MET 21 Cb 0.85 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.60 2fe9 h MET 21 CO -0.62 1.04 0.59 2.35 0.23 0.00 0.00 176.91 180.51 2fe9 h TRP 22 N 0.50 0.72 0.00 1.39 7.01 0.22 0.41 115.95 126.20 2fe9 h TRP 22 Ca 0.04 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.92 2fe9 h TRP 22 Cb 0.94 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 2fe9 h TRP 22 CO 0.07 0.21 -0.64 -0.07 -2.79 0.00 0.00 178.44 175.23 2fe9 h LEU 23 N 0.57 0.00 -0.68 0.65 3.38 -0.05 -3.23 115.31 115.95 2fe9 h LEU 23 Ca 0.48 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.52 2fe9 h LEU 23 Cb 0.96 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2fe9 h LEU 23 CO -0.22 0.64 0.36 0.50 0.09 0.00 0.00 178.44 179.81 2fe9 h LYS 24 N 0.00 0.62 0.00 1.13 3.11 0.67 0.81 116.57 122.92 2fe9 h LYS 24 Ca -0.01 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2fe9 h LYS 24 Cb 1.33 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2fe9 h LYS 24 CO 0.08 0.41 0.00 0.43 -2.81 0.00 0.00 179.45 177.57 2fe9 n SER 25 N -4.82 0.16 -0.31 4.20 7.64 -1.06 -1.48 113.62 117.94 2fe9 n SER 25 Ca 0.09 0.54 0.05 0.00 1.01 0.00 0.00 58.87 60.57 2fe9 n SER 25 Cb 0.22 -0.57 0.12 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.67 2.62 -0.52 -3.43 4.77 0.13 -4.04 117.00 114.85 2fe9 n LEU 26 Ca 0.03 -2.48 -0.03 0.00 -0.03 0.00 0.00 56.01 53.50 2fe9 n LEU 26 Cb 0.19 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2fe9 n LEU 26 CO 0.15 0.64 -0.03 -2.11 -1.33 0.00 0.00 177.39 174.71 2fe9 n ARG 27 N -0.55 -1.65 -0.76 3.23 -4.01 0.24 -4.32 116.66 108.84 2fe9 n ARG 27 Ca 0.11 0.29 0.06 0.00 -1.04 0.00 0.00 57.85 57.27 2fe9 n ARG 27 Cb 0.51 -3.90 0.35 0.00 -3.04 0.00 0.00 32.46 26.37 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2fe9 n LEU 28 N -0.64 5.02 0.15 2.89 4.77 0.44 -4.16 117.00 125.46 2fe9 n LEU 28 Ca -0.03 -2.55 0.10 0.00 -0.03 0.00 0.00 56.01 53.50 2fe9 n LEU 28 Cb 0.21 -0.65 0.54 0.00 -2.33 0.00 0.00 43.42 41.18 2fe9 n LEU 28 CO 0.05 0.59 0.81 0.00 -1.33 0.00 0.00 177.39 177.50 2fe9 n HIS 29 N 0.57 0.68 -0.07 -1.77 1.44 -1.18 0.11 115.22 115.00 2fe9 n HIS 29 Ca 0.24 0.35 0.07 0.00 -2.01 0.00 0.00 57.72 56.36 2fe9 n HIS 29 Cb 1.05 -1.06 0.42 0.00 0.12 0.00 0.00 29.99 30.52 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 0.56 -0.44 -1.40 2.10 -1.91 0.09 116.57 115.57 2fe9 h LYS 30 Ca 0.00 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 2fe9 h LYS 30 Cb 0.02 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2fe9 h LYS 30 CO 0.00 0.37 0.03 0.66 -2.00 0.00 0.00 179.45 178.51 2fe9 n TYR 31 N -4.47 1.56 -0.10 0.07 4.01 0.12 -4.59 117.16 113.75 2fe9 n TYR 31 Ca 0.07 -0.89 -0.08 0.00 -0.16 0.00 0.00 57.90 56.83 2fe9 n TYR 31 Cb 0.18 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 2fe9 n TYR 31 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2fe9 h SER 32 N 2.70 0.37 -0.99 7.72 0.87 -0.84 0.30 113.55 123.69 2fe9 h SER 32 Ca 0.04 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2fe9 h SER 32 Cb 1.77 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.58 2fe9 h SER 32 CO 0.39 0.27 0.64 -0.78 -0.53 0.00 0.00 176.83 176.82 2fe9 h ASP 33 N 0.45 1.05 1.34 6.23 3.58 -1.81 1.81 116.42 129.06 2fe9 h ASP 33 Ca 0.13 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 2fe9 h ASP 33 Cb -0.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2fe9 h ASP 33 CO -0.04 0.69 -0.47 0.00 -2.88 0.00 0.00 179.24 176.54 2fe9 h ALA 34 N 1.43 0.74 -0.01 -0.78 0.00 -1.71 -3.31 119.26 115.62 2fe9 h ALA 34 Ca 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fe9 h ALA 34 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fe9 h ALA 34 CO -0.15 0.59 -0.43 1.28 0.00 0.00 0.00 179.25 180.54 2fe9 n LEU 35 N -3.29 1.11 -0.04 0.00 4.32 0.10 -4.57 117.00 114.63 2fe9 n LEU 35 Ca 0.01 -0.65 -0.13 0.00 -0.02 0.00 0.00 56.01 55.23 2fe9 n LEU 35 Cb 0.68 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.41 2fe9 n LEU 35 CO 0.40 0.23 0.64 -1.28 -1.22 0.00 0.00 177.39 176.16 2fe9 h SER 36 N 0.88 0.27 0.00 -1.43 0.87 0.27 -2.69 113.55 111.72 2fe9 h SER 36 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2fe9 h SER 36 Cb 0.40 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2fe9 h SER 36 CO 0.00 0.65 0.20 0.61 -0.53 0.00 0.00 176.83 177.77 2fe9 n GLY 37 N 0.09 -0.65 3.36 5.77 0.00 -1.26 -4.28 105.19 108.22 2fe9 n GLY 37 Ca -0.06 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.31 3.25 1.31 2.61 2.01 -1.01 -5.12 115.64 115.37 2fe9 s THR 38 Ca -0.02 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 2fe9 s THR 38 Cb 0.04 -2.41 0.33 0.00 0.01 0.00 0.00 72.50 70.46 2fe9 s THR 38 CO 0.13 0.49 1.05 -2.16 -0.69 0.00 0.00 174.62 173.43 2fe9 s PRO 39 N 0.73 -2.07 -0.01 4.92 0.04 -1.26 -4.67 135.00 132.69 2fe9 s PRO 39 Ca -0.04 -0.09 -0.23 0.00 0.04 0.00 0.00 61.00 60.67 2fe9 s PRO 39 Cb -0.15 -1.50 -0.19 0.00 0.04 0.00 0.00 34.50 32.70 2fe9 s PRO 39 CO 0.02 -4.27 1.22 0.11 0.04 0.00 0.00 177.00 174.12 2fe9 h TRP 40 N -2.98 0.25 -0.69 0.56 5.08 -1.94 0.42 115.95 116.65 2fe9 h TRP 40 Ca -0.42 -0.09 0.20 0.00 1.08 0.00 0.00 58.89 59.66 2fe9 h TRP 40 Cb 1.30 -0.04 -0.03 0.00 -3.00 0.00 0.00 29.16 27.39 2fe9 h TRP 40 CO -2.96 0.73 0.65 0.97 -1.28 0.00 0.00 178.44 176.56 2fe9 h ILE 41 N -0.31 0.35 0.01 0.12 6.09 -1.91 0.67 117.51 122.53 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 0.72 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.45 2fe9 h ILE 41 CO 0.03 0.00 -2.34 -0.62 -3.07 0.00 0.00 178.15 172.14 2fe9 n GLU 42 N -3.80 0.67 0.43 2.19 1.02 -1.15 -4.02 120.64 115.98 2fe9 n GLU 42 Ca 0.14 0.10 -0.19 0.00 -0.02 0.00 0.00 57.16 57.18 2fe9 n GLU 42 Cb 0.90 -1.55 -0.09 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 0.00 -1.03 0.00 -4.62 7.12 0.32 1.00 115.31 118.10 2fe9 h LEU 43 Ca -0.53 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.52 2fe9 h LEU 43 Cb 2.08 0.28 0.00 0.00 -0.53 0.00 0.00 40.66 42.49 2fe9 h LEU 43 CO -0.01 -0.69 0.02 2.30 -0.13 0.00 0.00 178.44 179.93 2fe9 n ILE 44 N -5.58 1.14 0.30 4.05 -5.35 0.20 -0.21 119.36 113.90 2fe9 n ILE 44 Ca -0.15 0.30 0.06 0.00 -0.27 0.00 0.00 62.75 62.70 2fe9 n ILE 44 Cb 0.46 -1.30 -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 -1.27 0.00 -0.13 4.28 4.02 -0.42 -4.48 117.16 119.16 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 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.59 0.00 -3.94 7.72 4.77 0.70 -5.07 117.00 119.59 2fe9 n LEU 46 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2fe9 n LEU 46 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2fe9 n LEU 46 CO 0.25 -1.16 0.11 -1.81 -1.33 0.00 0.00 177.39 173.45 2fe9 s ASP 47 N -1.84 -0.07 0.44 -1.43 1.01 -1.26 -5.00 116.67 108.52 2fe9 s ASP 47 Ca 0.00 -0.84 0.24 0.00 0.71 0.00 0.00 52.55 52.66 2fe9 s ASP 47 Cb 0.00 0.52 1.25 0.00 1.01 0.00 0.00 42.92 45.70 2fe9 s ASP 47 CO 0.00 -1.02 1.77 -0.78 0.21 0.00 0.00 175.17 175.35 2fe9 h ASP 48 N 2.36 0.31 0.45 0.27 1.82 -1.94 -0.80 116.42 118.90 2fe9 h ASP 48 Ca -0.29 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.39 2fe9 h ASP 48 Cb 1.24 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2fe9 h ASP 48 CO 0.41 0.04 -0.22 -0.08 -1.61 0.00 0.00 179.24 177.78 2fe9 h GLU 49 N 0.26 -0.58 -0.80 0.28 4.81 -1.95 -3.05 114.58 113.54 2fe9 h GLU 49 Ca 0.60 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 60.06 2fe9 h GLU 49 Cb 1.79 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 31.19 2fe9 h GLU 49 CO -0.23 -0.39 0.26 1.15 -0.73 0.00 0.00 179.01 179.07 2fe9 h THR 50 N -0.95 0.50 -0.88 0.32 2.02 -1.73 0.34 112.91 112.52 2fe9 h THR 50 Ca -0.06 -0.11 0.17 0.00 0.77 0.00 0.00 66.41 67.18 2fe9 h THR 50 Cb 0.46 0.14 -0.10 0.00 -1.74 0.00 0.00 68.15 66.91 2fe9 h THR 50 CO 0.10 0.06 0.45 -0.07 0.37 0.00 0.00 175.52 176.43 2fe9 h LEU 51 N 0.32 0.51 0.02 2.58 3.38 -1.24 0.17 115.31 121.06 2fe9 h LEU 51 Ca 0.47 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2fe9 h LEU 51 Cb 0.84 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2fe9 h LEU 51 CO -0.52 0.17 -0.04 -0.08 0.09 0.00 0.00 178.44 178.06 2fe9 h GLU 52 N 0.59 -0.08 -0.81 1.13 4.81 -0.04 0.23 114.58 120.42 2fe9 h GLU 52 Ca 0.50 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.96 2fe9 h GLU 52 Cb 0.79 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 2fe9 h GLU 52 CO -0.41 -0.05 0.57 0.87 -0.73 0.00 0.00 179.01 179.26 2fe9 h LYS 53 N -0.08 0.10 0.10 1.92 6.56 -0.17 -2.37 116.57 122.62 2fe9 h LYS 53 Ca 0.01 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2fe9 h LYS 53 Cb 0.09 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2fe9 h LYS 53 CO -0.02 0.06 -0.05 0.87 -2.06 0.00 0.00 179.45 178.25 2fe9 h LYS 54 N 0.10 -0.13 0.00 3.15 1.79 -0.36 -3.48 116.57 117.64 2fe9 h LYS 54 Ca 0.39 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2fe9 h LYS 54 Cb 1.40 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2fe9 h LYS 54 CO -0.04 0.13 0.00 0.41 -1.08 0.00 0.00 179.45 178.87 2fe9 n GLY 55 N 1.32 0.00 3.57 3.86 0.00 -0.43 -4.75 105.19 108.76 2fe9 n GLY 55 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 3.42 -1.50 1.61 1.01 0.68 -4.72 120.40 120.91 2fe9 s VAL 56 Ca 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 61.98 61.68 2fe9 s VAL 56 Cb 0.00 -4.06 0.57 0.00 0.00 0.00 0.00 36.38 32.90 2fe9 s VAL 56 CO 0.00 -0.84 1.46 0.18 0.00 0.00 0.00 175.10 175.90 2fe9 n LEU 57 N 14.70 3.71 -4.40 3.92 4.32 -1.26 -2.52 117.00 135.47 2fe9 n LEU 57 Ca 0.42 -1.87 -0.42 0.00 -0.02 0.00 0.00 56.01 54.13 2fe9 n LEU 57 Cb 0.46 -0.48 -0.10 0.00 -1.62 0.00 0.00 43.42 41.68 2fe9 n LEU 57 CO 0.61 0.72 -0.12 0.00 -1.22 0.00 0.00 177.39 177.39 2fe9 s ALA 58 N -1.58 3.36 0.57 -1.18 0.00 -1.26 -4.92 121.76 116.75 2fe9 s ALA 58 Ca 0.41 -1.77 0.30 0.00 0.00 0.00 0.00 51.96 50.91 2fe9 s ALA 58 Cb 0.25 -2.72 1.45 0.00 0.00 0.00 0.00 23.12 22.10 2fe9 s ALA 58 CO 0.23 -1.45 1.86 -0.07 0.00 0.00 0.00 175.76 176.32 2fe9 h LEU 59 N 8.52 0.00 -0.04 0.00 -0.00 -1.97 0.54 115.31 122.36 2fe9 h LEU 59 Ca -0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.43 2fe9 h LEU 59 Cb 1.11 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.78 2fe9 h LEU 59 CO 0.71 0.00 -0.71 1.23 -0.00 0.00 0.00 178.44 179.67 2fe9 h GLY 60 N 0.00 0.60 0.25 0.83 0.00 -1.98 -3.10 103.07 99.68 2fe9 h GLY 60 Ca 0.33 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 2fe9 h GLY 60 CO -0.00 0.88 -0.06 0.00 0.00 0.00 0.00 176.54 177.35 2fe9 h ALA 61 N 0.39 -0.18 0.69 3.60 0.00 -0.51 -3.19 119.26 120.07 2fe9 h ALA 61 Ca -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2fe9 h ALA 61 Cb 1.38 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2fe9 h ALA 61 CO 0.14 -0.22 -0.33 0.07 0.00 0.00 0.00 179.25 178.91 2fe9 h ARG 62 N -0.93 -0.89 -0.33 0.00 0.11 -0.72 -0.59 114.38 111.03 2fe9 h ARG 62 Ca -0.02 0.06 0.09 0.00 0.10 0.00 0.00 59.98 60.22 2fe9 h ARG 62 Cb 0.49 0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 2fe9 h ARG 62 CO 0.03 -0.60 0.59 0.00 0.10 0.00 0.00 179.97 180.09 2fe9 h ARG 63 N -1.05 0.00 0.18 0.08 3.08 -1.71 0.57 114.38 115.53 2fe9 h ARG 63 Ca -0.09 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.67 2fe9 h ARG 63 Cb 0.71 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.79 2fe9 h ARG 63 CO 0.16 0.00 -1.21 -0.22 -1.07 0.00 0.00 179.97 177.62 2fe9 h LYS 64 N 0.00 0.51 -0.21 0.04 1.63 -1.43 -3.22 116.57 113.89 2fe9 h LYS 64 Ca 0.16 -0.79 0.06 0.00 -0.85 0.00 0.00 60.65 59.23 2fe9 h LYS 64 Cb 1.33 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 33.23 2fe9 h LYS 64 CO -0.00 1.36 0.23 -0.07 -3.45 0.00 0.00 179.45 177.53 2fe9 h LEU 65 N 0.06 0.00 -2.56 5.20 3.38 0.17 0.22 115.31 121.78 2fe9 h LEU 65 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 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 -0.02 -0.07 0.09 0.00 0.00 178.44 178.67 2fe9 h LEU 66 N 0.00 0.00 -0.10 1.67 3.38 -1.50 0.10 115.31 118.87 2fe9 h LEU 66 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 2fe9 h LEU 66 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2fe9 h LEU 66 CO -0.00 0.02 -0.89 0.11 0.09 0.00 0.00 178.44 177.77 2fe9 h LYS 67 N 0.00 0.76 -0.05 1.13 1.79 -0.74 -3.02 116.57 116.44 2fe9 h LYS 67 Ca -0.00 -0.70 -0.14 0.00 -2.18 0.00 0.00 60.65 57.63 2fe9 h LYS 67 Cb 0.09 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2fe9 h LYS 67 CO 0.00 1.29 -0.61 0.00 -1.08 0.00 0.00 179.45 179.05 2fe9 h ALA 68 N 0.49 0.89 -0.72 3.86 0.00 -1.11 -2.96 119.26 119.71 2fe9 h ALA 68 Ca -0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2fe9 h ALA 68 Cb 1.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2fe9 h ALA 68 CO 0.18 0.74 0.39 0.74 0.00 0.00 0.00 179.25 181.30 2fe9 h PHE 69 N 0.13 1.00 -0.00 0.00 0.04 -0.86 -2.79 116.94 114.45 2fe9 h PHE 69 Ca -0.01 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 2fe9 h PHE 69 Cb 1.10 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2fe9 h PHE 69 CO 0.02 0.71 -0.01 0.78 -0.60 0.00 0.00 178.31 179.21 2fe9 h GLY 70 N 1.00 0.01 0.61 -1.45 0.00 -1.49 -2.82 103.07 98.94 2fe9 h GLY 70 Ca 0.25 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.73 2fe9 h GLY 70 CO -0.04 0.01 0.52 -2.22 0.00 0.00 0.00 176.54 174.82 2fe9 h ILE 71 N -0.71 0.78 -0.18 2.60 2.04 -1.55 -0.24 117.51 120.26 2fe9 h ILE 71 Ca -0.00 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2fe9 h ILE 71 Cb 0.73 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2fe9 h ILE 71 CO 0.00 0.08 -0.30 0.58 0.00 0.00 0.00 178.15 178.51 2fe9 h VAL 72 N 0.44 1.34 0.43 1.67 2.07 -1.55 -2.87 116.25 117.78 2fe9 h VAL 72 Ca 0.39 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2fe9 h VAL 72 Cb 0.88 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2fe9 h VAL 72 CO -0.13 0.47 -0.30 0.40 0.02 0.00 0.00 177.57 178.02 2fe9 h ILE 73 N 0.17 0.37 0.25 4.57 2.04 -0.82 0.15 117.51 124.25 2fe9 h ILE 73 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2fe9 h ILE 73 Cb 0.89 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2fe9 h ILE 73 CO 0.07 0.00 -0.32 -0.78 0.00 0.00 0.00 178.15 177.12 2fe9 h ASP 74 N -0.72 -0.88 -0.45 1.72 1.82 -1.33 0.29 116.42 116.87 2fe9 h ASP 74 Ca -0.04 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.76 2fe9 h ASP 74 Cb 0.61 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 2fe9 h ASP 74 CO 0.02 -0.44 0.30 1.88 -1.61 0.00 0.00 179.24 179.40 2fe9 h TYR 75 N -0.63 0.31 -0.26 0.28 0.05 -1.48 0.46 116.97 115.71 2fe9 h TYR 75 Ca -0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2fe9 h TYR 75 Cb 0.60 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2fe9 h TYR 75 CO -0.22 0.16 0.13 -0.22 -1.05 0.00 0.00 178.16 176.96 2fe9 h LYS 76 N 0.30 0.37 0.00 4.88 3.64 0.36 -0.18 116.57 125.94 2fe9 h LYS 76 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2fe9 h LYS 76 Cb 0.40 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2fe9 h LYS 76 CO -0.04 0.36 -0.02 0.93 -2.27 0.00 0.00 179.45 178.40 2fe9 h GLU 77 N 0.29 0.00 -0.34 1.90 4.39 0.27 -1.95 114.58 119.14 2fe9 h GLU 77 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2fe9 h GLU 77 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2fe9 h GLU 77 CO -0.01 0.02 0.00 0.54 -1.16 0.00 0.00 179.01 178.40 2fe9 n ARG 78 N -3.16 1.81 -1.87 2.33 1.74 0.13 -4.87 116.66 112.77 2fe9 n ARG 78 Ca -0.01 -1.26 -0.21 0.00 -0.77 0.00 0.00 57.85 55.61 2fe9 n ARG 78 Cb 0.24 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.52 -5.59 0.10 0.55 2.03 -0.73 -4.83 116.55 108.59 2fe9 n ASP 79 Ca 0.12 0.33 0.02 0.00 0.52 0.00 0.00 54.79 55.79 2fe9 n ASP 79 Cb 0.30 -4.84 -0.02 0.00 -0.72 0.00 0.00 41.12 35.84 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 -9.42 -2.67 4.07 -1.23 -3.45 115.31 102.61 2fe9 h LEU 80 Ca -0.45 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 56.91 2fe9 h LEU 80 Cb 1.35 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.01 2fe9 h LEU 80 CO 0.61 0.51 -0.28 -0.63 -1.08 0.00 0.00 178.44 177.57 2fe9 s ILE 81 N -2.96 5.24 0.28 1.22 1.01 -1.20 -4.98 121.20 119.80 2fe9 s ILE 81 Ca 0.01 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 2fe9 s ILE 81 Cb 0.08 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2fe9 s ILE 81 CO 0.77 0.44 1.63 -0.62 0.00 0.00 0.00 174.94 177.17 2fe9 s ASP 82 N -0.00 6.35 0.21 3.58 -1.08 -1.26 -4.83 116.67 119.63 2fe9 s ASP 82 Ca 0.20 2.96 0.16 0.00 -0.52 0.00 0.00 52.55 55.34 2fe9 s ASP 82 Cb -0.14 -2.63 0.81 0.00 -1.46 0.00 0.00 42.92 39.50 2fe9 s ASP 82 CO 0.07 -0.94 1.48 0.54 0.52 0.00 0.00 175.17 176.84 2fe9 n ARG 83 N 2.54 0.10 0.17 4.34 5.12 -1.26 -1.14 116.66 126.54 2fe9 n ARG 83 Ca 0.10 0.55 0.03 0.00 -1.93 0.00 0.00 57.85 56.60 2fe9 n ARG 83 Cb 0.37 -1.80 0.42 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.09 -0.18 0.55 0.02 -2.02 -2.62 113.55 109.39 2fe9 h SER 84 Ca 0.00 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 2fe9 h SER 84 Cb 0.06 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2fe9 h SER 84 CO 0.00 0.31 -0.36 0.00 -1.14 0.00 0.00 176.83 175.64 2fe9 h ALA 85 N 1.70 0.29 0.00 3.77 0.00 -1.48 -3.51 119.26 120.03 2fe9 h ALA 85 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2fe9 h ALA 85 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2fe9 h ALA 85 CO 0.03 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.30