#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 1.85 -1.96 6.43 2.85 -1.26 -4.78 115.26 118.39 2fe9 n ASN 2 Ca 0.00 -3.79 -0.17 0.00 -0.11 0.00 0.00 54.58 50.52 2fe9 n ASN 2 Cb 0.00 -0.52 0.02 0.00 1.24 0.00 0.00 39.78 40.51 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2fe9 n SER 3 N -1.16 6.36 -4.76 1.20 7.64 -1.26 -4.32 113.62 117.32 2fe9 n SER 3 Ca 0.19 -3.02 -0.39 0.00 1.01 0.00 0.00 58.87 56.66 2fe9 n SER 3 Cb 0.70 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2fe9 s SER 4 N 0.38 7.51 -1.20 6.43 0.15 -1.26 -4.88 113.70 120.83 2fe9 s SER 4 Ca 0.34 1.89 -0.17 0.00 0.70 0.00 0.00 55.95 58.70 2fe9 s SER 4 Cb 0.25 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 2fe9 s SER 4 CO -0.03 0.07 1.54 -0.04 1.20 0.00 0.00 173.24 175.97 2fe9 s MET 5 N -1.55 3.93 -0.38 5.44 -1.94 -1.26 -4.49 119.30 119.05 2fe9 s MET 5 Ca 0.45 -2.06 -0.28 0.00 -1.71 0.00 0.00 55.69 52.09 2fe9 s MET 5 Cb -0.23 -5.29 -0.01 0.00 2.01 0.00 0.00 34.83 31.31 2fe9 s MET 5 CO 0.28 -2.04 1.69 -0.80 -0.01 0.00 0.00 175.02 174.14 2fe9 s ASN 6 N 3.80 5.98 0.31 3.03 -0.87 -1.26 -4.86 114.94 121.07 2fe9 s ASN 6 Ca 0.47 1.08 0.21 0.00 -1.57 0.00 0.00 52.86 53.06 2fe9 s ASN 6 Cb 0.00 -2.53 1.13 0.00 -0.02 0.00 0.00 41.25 39.83 2fe9 s ASN 6 CO 0.01 -1.68 1.66 -2.65 -2.57 0.00 0.00 177.10 171.87 2fe9 n PRO 7 N 8.39 0.14 -0.06 -0.60 -0.02 -1.26 -0.52 135.00 141.07 2fe9 n PRO 7 Ca 0.21 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2fe9 n PRO 7 Cb 0.47 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.23 116.57 117.47 2fe9 h LYS 8 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 2fe9 h LYS 8 Cb 0.05 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.73 2fe9 h LYS 8 CO 0.00 0.95 -1.03 0.77 -2.06 0.00 0.00 179.45 178.08 2fe9 h SER 9 N -0.96 0.83 0.18 0.86 0.02 -1.81 -2.93 113.55 109.74 2fe9 h SER 9 Ca -0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2fe9 h SER 9 Cb 0.95 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2fe9 h SER 9 CO 0.00 1.51 0.00 0.18 -1.14 0.00 0.00 176.83 177.38 2fe9 n LEU 10 N -3.91 0.00 -0.30 5.07 4.77 0.32 -1.72 117.00 121.23 2fe9 n LEU 10 Ca -0.12 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 2fe9 n LEU 10 Cb 0.88 -0.41 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 2fe9 n LEU 10 CO 0.55 -0.32 0.42 0.35 -1.33 0.00 0.00 177.39 177.06 2fe9 n THR 11 N -1.41 1.14 -3.80 -5.08 -2.24 -1.19 -4.60 114.28 97.09 2fe9 n THR 11 Ca 0.02 -1.43 -0.37 0.00 -2.27 0.00 0.00 64.05 60.00 2fe9 n THR 11 Cb 0.06 0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.17 4.97 0.66 3.42 2.15 -0.70 -4.60 116.67 120.40 2fe9 s ASP 12 Ca 0.20 -0.80 0.08 0.00 0.43 0.00 0.00 52.55 52.47 2fe9 s ASP 12 Cb 0.18 -1.83 0.44 0.00 -0.30 0.00 0.00 42.92 41.42 2fe9 s ASP 12 CO 0.01 -0.19 1.25 -0.65 -0.17 0.00 0.00 175.17 175.41 2fe9 h PRO 13 N 8.18 0.00 0.64 4.34 0.11 -1.90 0.72 132.00 144.09 2fe9 h PRO 13 Ca -0.31 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2fe9 h PRO 13 Cb 1.12 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 -0.33 -0.22 -0.21 0.00 0.00 178.00 177.84 2fe9 h LYS 14 N 0.00 -0.86 -0.14 1.05 3.11 -1.93 0.11 116.57 117.92 2fe9 h LYS 14 Ca 0.01 0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.66 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 33.09 2fe9 h LYS 14 CO -0.00 -0.57 -0.30 -0.07 -2.81 0.00 0.00 179.45 175.69 2fe9 h LEU 15 N -0.89 0.50 -0.30 5.20 -0.00 -1.10 -2.36 115.31 116.36 2fe9 h LEU 15 Ca -0.09 -0.57 0.06 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 15 Cb 0.70 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 2fe9 h LEU 15 CO 0.13 0.98 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.36 2fe9 h LEU 16 N 0.05 -0.41 -1.54 1.67 3.38 -1.44 0.19 115.31 117.21 2fe9 h LEU 16 Ca 0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2fe9 h LEU 16 Cb 0.90 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2fe9 h LEU 16 CO 0.07 -0.15 -0.17 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 -0.83 -3.17 116.57 112.86 2fe9 h LYS 17 Ca 0.15 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.27 2fe9 h LYS 17 Cb 0.29 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.23 2fe9 h LYS 17 CO -0.34 0.17 -0.13 -1.71 -0.57 0.00 0.00 179.45 176.87 2fe9 n ASN 18 N -3.51 5.03 -0.32 0.86 5.15 0.56 -4.93 115.26 118.09 2fe9 n ASN 18 Ca -0.01 -3.57 0.04 0.00 -0.60 0.00 0.00 54.58 50.44 2fe9 n ASN 18 Cb 0.33 -0.80 0.11 0.00 -0.53 0.00 0.00 39.78 38.89 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 0.38 -0.39 -0.24 -1.44 2.08 -0.55 0.90 119.36 120.10 2fe9 n ILE 19 Ca 0.33 2.03 0.03 0.00 0.56 0.00 0.00 62.75 65.69 2fe9 n ILE 19 Cb 0.37 -2.79 0.12 0.00 -0.75 0.00 0.00 39.64 36.59 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 -0.43 0.38 0.11 -1.84 0.39 132.00 130.67 2fe9 h PRO 20 Ca 0.40 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 2fe9 h PRO 20 Cb 0.62 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2fe9 h PRO 20 CO -0.90 0.04 0.06 1.98 -0.21 0.00 0.00 178.00 178.97 2fe9 h MET 21 N 0.07 0.72 -0.93 1.05 4.05 0.25 -1.56 114.93 118.58 2fe9 h MET 21 Ca 0.37 -0.20 0.18 0.00 -0.28 0.00 0.00 59.70 59.76 2fe9 h MET 21 Cb 0.61 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.25 2fe9 h MET 21 CO -0.65 0.76 0.60 2.35 0.23 0.00 0.00 176.91 180.20 2fe9 h TRP 22 N 0.58 0.77 0.00 1.39 7.01 0.21 0.25 115.95 126.15 2fe9 h TRP 22 Ca 0.13 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.04 2fe9 h TRP 22 Cb 0.40 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 2fe9 h TRP 22 CO 0.03 0.23 -0.55 -0.07 -2.79 0.00 0.00 178.44 175.28 2fe9 h LEU 23 N 0.60 0.00 -0.93 0.65 3.38 0.15 -3.20 115.31 115.96 2fe9 h LEU 23 Ca 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 2fe9 h LEU 23 Cb 0.94 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2fe9 h LEU 23 CO -0.24 0.55 0.29 0.50 0.09 0.00 0.00 178.44 179.64 2fe9 h LYS 24 N 0.00 1.06 0.00 1.13 1.63 0.46 0.72 116.57 121.57 2fe9 h LYS 24 Ca -0.01 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2fe9 h LYS 24 Cb 1.26 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2fe9 h LYS 24 CO 0.07 0.86 0.00 0.43 -3.45 0.00 0.00 179.45 177.37 2fe9 n SER 25 N -4.29 0.00 -0.16 4.20 7.64 -0.98 -2.01 113.62 118.02 2fe9 n SER 25 Ca 0.06 0.08 0.02 0.00 1.01 0.00 0.00 58.87 60.05 2fe9 n SER 25 Cb 0.18 -0.32 0.02 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.32 1.44 0.00 -3.43 4.77 0.33 -4.24 117.00 114.55 2fe9 n LEU 26 Ca 0.09 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2fe9 n LEU 26 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2fe9 n LEU 26 CO 0.16 0.33 0.00 0.54 -1.33 0.00 0.00 177.39 177.09 2fe9 n ARG 27 N 0.16 -1.07 -0.91 3.23 5.12 0.21 -4.37 116.66 119.03 2fe9 n ARG 27 Ca 0.02 0.27 0.04 0.00 -1.93 0.00 0.00 57.85 56.25 2fe9 n ARG 27 Cb 0.12 -4.25 0.38 0.00 -1.16 0.00 0.00 32.46 27.55 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 5.71 0.07 0.55 4.77 0.94 -4.23 117.00 124.81 2fe9 n LEU 28 Ca 0.00 -2.92 0.06 0.00 -0.03 0.00 0.00 56.01 53.12 2fe9 n LEU 28 Cb 0.27 -0.70 0.29 0.00 -2.33 0.00 0.00 43.42 40.95 2fe9 n LEU 28 CO 0.00 0.65 0.67 0.00 -1.33 0.00 0.00 177.39 177.38 2fe9 n HIS 29 N 0.47 0.34 -0.12 -1.77 1.44 -1.12 -0.13 115.22 114.34 2fe9 n HIS 29 Ca 0.30 0.17 0.03 0.00 -2.01 0.00 0.00 57.72 56.21 2fe9 n HIS 29 Cb 1.22 -0.78 0.34 0.00 0.12 0.00 0.00 29.99 30.89 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 0.77 -0.50 -1.40 2.10 -1.90 -0.40 116.57 115.23 2fe9 h LYS 30 Ca 0.00 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2fe9 h LYS 30 Cb 0.04 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 31.16 2fe9 h LYS 30 CO 0.00 0.51 0.07 0.66 -2.00 0.00 0.00 179.45 178.68 2fe9 n TYR 31 N -4.45 1.76 -0.13 0.07 4.01 0.82 -4.58 117.16 114.66 2fe9 n TYR 31 Ca 0.06 -0.95 -0.07 0.00 -0.16 0.00 0.00 57.90 56.78 2fe9 n TYR 31 Cb 0.06 -0.50 0.01 0.00 -0.31 0.00 0.00 39.34 38.61 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 2.77 0.41 -1.00 7.72 0.87 -0.96 0.28 113.55 123.64 2fe9 h SER 32 Ca 0.08 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2fe9 h SER 32 Cb 1.89 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.71 2fe9 h SER 32 CO 0.47 0.29 0.66 -0.78 -0.53 0.00 0.00 176.83 176.94 2fe9 h ASP 33 N 0.51 1.12 1.62 6.23 1.82 -1.81 1.50 116.42 127.40 2fe9 h ASP 33 Ca 0.16 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 2fe9 h ASP 33 Cb -0.00 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.73 2fe9 h ASP 33 CO -0.07 0.79 -0.25 0.00 -1.61 0.00 0.00 179.24 178.11 2fe9 h ALA 34 N 1.38 0.86 -0.00 -0.78 0.00 -1.71 -3.31 119.26 115.70 2fe9 h ALA 34 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fe9 h ALA 34 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2fe9 h ALA 34 CO -0.10 0.31 -0.52 1.28 0.00 0.00 0.00 179.25 180.23 2fe9 n LEU 35 N -3.19 0.75 -0.13 0.00 4.32 0.92 -4.54 117.00 115.13 2fe9 n LEU 35 Ca 0.03 -0.55 -0.11 0.00 -0.02 0.00 0.00 56.01 55.35 2fe9 n LEU 35 Cb 0.60 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.38 2fe9 n LEU 35 CO 0.37 0.17 0.70 -1.28 -1.22 0.00 0.00 177.39 176.12 2fe9 h SER 36 N 0.29 0.78 0.00 -1.43 0.87 0.20 -2.43 113.55 111.83 2fe9 h SER 36 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2fe9 h SER 36 Cb 0.32 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2fe9 h SER 36 CO 0.00 0.98 0.02 0.61 -0.53 0.00 0.00 176.83 177.91 2fe9 n GLY 37 N -0.14 -0.44 3.21 5.77 0.00 -1.26 -4.38 105.19 107.94 2fe9 n GLY 37 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.88 2.21 1.24 2.61 2.01 -0.91 -5.13 115.64 114.78 2fe9 s THR 38 Ca 0.00 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2fe9 s THR 38 Cb 0.00 -1.88 0.31 0.00 0.01 0.00 0.00 72.50 70.94 2fe9 s THR 38 CO 0.00 0.55 0.98 -0.81 -0.69 0.00 0.00 174.62 174.64 2fe9 n PRO 39 N 3.90 -3.58 -0.03 4.92 -0.04 -1.26 -4.66 135.00 134.25 2fe9 n PRO 39 Ca -0.19 -1.58 -0.14 0.00 -0.04 0.00 0.00 63.50 61.55 2fe9 n PRO 39 Cb 0.52 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.95 0.13 -0.81 0.54 5.08 -1.94 0.40 115.95 116.39 2fe9 h TRP 40 Ca -0.39 -0.05 0.24 0.00 1.08 0.00 0.00 58.89 59.77 2fe9 h TRP 40 Cb 1.22 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 27.32 2fe9 h TRP 40 CO 0.00 0.69 0.70 0.97 -1.28 0.00 0.00 178.44 179.52 2fe9 h ILE 41 N -0.46 0.37 0.02 0.12 6.09 -1.91 0.68 117.51 122.42 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 0.69 0.48 -0.06 0.00 0.47 0.00 0.00 36.82 38.39 2fe9 h ILE 41 CO 0.02 0.00 -2.30 -0.62 -3.07 0.00 0.00 178.15 172.18 2fe9 n GLU 42 N -3.90 0.68 0.29 2.19 1.02 -1.17 -3.90 120.64 115.84 2fe9 n GLU 42 Ca 0.17 0.15 -0.17 0.00 -0.02 0.00 0.00 57.16 57.28 2fe9 n GLU 42 Cb 0.99 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.74 2fe9 n GLU 42 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2fe9 h LEU 43 N 0.01 -1.09 -0.85 -4.62 -0.00 0.30 0.16 115.31 109.21 2fe9 h LEU 43 Ca -0.52 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2fe9 h LEU 43 Cb 2.02 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 43.03 2fe9 h LEU 43 CO -0.01 -0.59 0.09 2.30 -0.00 0.00 0.00 178.44 180.23 2fe9 n ILE 44 N -5.52 1.17 0.71 1.22 -5.35 0.21 -0.41 119.36 111.39 2fe9 n ILE 44 Ca -0.11 0.66 0.08 0.00 -0.27 0.00 0.00 62.75 63.11 2fe9 n ILE 44 Cb 0.41 -1.66 -0.10 0.00 -1.74 0.00 0.00 39.64 36.55 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 -1.95 0.00 -0.09 4.28 4.02 -0.12 -4.52 117.16 118.79 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 0.11 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.49 0.00 -3.95 7.72 4.77 0.45 -5.06 117.00 119.45 2fe9 n LEU 46 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 2fe9 n LEU 46 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2fe9 n LEU 46 CO 0.35 -0.95 0.29 -1.81 -1.33 0.00 0.00 177.39 173.94 2fe9 s ASP 47 N -1.85 -0.11 0.31 -1.43 1.11 -1.26 -4.99 116.67 108.44 2fe9 s ASP 47 Ca 0.00 -0.85 0.07 0.00 0.18 0.00 0.00 52.55 51.95 2fe9 s ASP 47 Cb 0.00 0.65 0.78 0.00 1.07 0.00 0.00 42.92 45.42 2fe9 s ASP 47 CO 0.00 -1.24 1.75 -2.24 1.18 0.00 0.00 175.17 174.63 2fe9 h ASP 48 N 2.16 0.71 0.80 0.27 3.04 -1.94 -1.13 116.42 120.33 2fe9 h ASP 48 Ca -0.24 0.11 -0.04 0.00 -3.24 0.00 0.00 57.03 53.63 2fe9 h ASP 48 Cb 1.25 -0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.54 2fe9 h ASP 48 CO 0.32 0.19 -0.39 -0.08 -2.04 0.00 0.00 179.24 177.24 2fe9 h GLU 49 N 0.67 -1.04 -0.56 4.15 4.81 -1.95 -2.81 114.58 117.84 2fe9 h GLU 49 Ca 0.60 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 60.01 2fe9 h GLU 49 Cb 1.02 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 30.54 2fe9 h GLU 49 CO -0.43 -0.68 0.02 1.15 -0.73 0.00 0.00 179.01 178.34 2fe9 h THR 50 N -1.19 0.56 -0.94 0.32 2.02 -1.74 0.15 112.91 112.10 2fe9 h THR 50 Ca -0.11 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.22 2fe9 h THR 50 Cb 0.84 0.41 -0.11 0.00 -1.74 0.00 0.00 68.15 67.55 2fe9 h THR 50 CO 0.18 0.03 0.51 -0.07 0.37 0.00 0.00 175.52 176.54 2fe9 h LEU 51 N 0.14 0.60 -0.23 2.58 3.38 -1.23 0.46 115.31 121.01 2fe9 h LEU 51 Ca 0.29 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2fe9 h LEU 51 Cb 0.45 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2fe9 h LEU 51 CO -0.46 0.17 0.12 -0.08 0.09 0.00 0.00 178.44 178.28 2fe9 h GLU 52 N 0.62 0.33 -0.63 1.13 4.81 -0.21 0.49 114.58 121.11 2fe9 h GLU 52 Ca 0.55 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.90 2fe9 h GLU 52 Cb 0.92 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2fe9 h GLU 52 CO -0.42 0.32 0.44 0.87 -0.73 0.00 0.00 179.01 179.49 2fe9 h LYS 53 N 0.26 0.14 0.05 1.92 1.79 0.99 -2.26 116.57 119.46 2fe9 h LYS 53 Ca 0.08 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2fe9 h LYS 53 Cb 0.09 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2fe9 h LYS 53 CO -0.01 0.09 -0.03 0.87 -1.08 0.00 0.00 179.45 179.29 2fe9 h LYS 54 N 0.14 -0.07 0.00 3.15 1.79 -0.28 -3.48 116.57 117.82 2fe9 h LYS 54 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2fe9 h LYS 54 Cb 1.01 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2fe9 h LYS 54 CO -0.04 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 2fe9 n GLY 55 N 1.37 0.00 3.56 3.86 0.00 -0.30 -4.78 105.19 108.91 2fe9 n GLY 55 Ca -0.06 0.00 -0.27 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 3.47 -0.08 1.61 1.01 0.16 -4.72 120.40 121.84 2fe9 s VAL 56 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 61.71 2fe9 s VAL 56 Cb 0.00 -4.07 -0.19 0.00 0.00 0.00 0.00 36.38 32.12 2fe9 s VAL 56 CO 0.00 -0.98 0.72 0.18 0.00 0.00 0.00 175.10 175.02 2fe9 n LEU 57 N 13.87 0.83 -4.57 3.92 4.32 -1.26 -2.11 117.00 132.01 2fe9 n LEU 57 Ca 0.40 0.38 -0.45 0.00 -0.02 0.00 0.00 56.01 56.33 2fe9 n LEU 57 Cb 0.47 0.14 -0.04 0.00 -1.62 0.00 0.00 43.42 42.37 2fe9 n LEU 57 CO 0.61 0.28 1.85 0.00 -1.22 0.00 0.00 177.39 178.90 2fe9 n ALA 58 N -2.49 1.65 0.01 -1.18 0.00 -1.26 -4.79 120.51 112.46 2fe9 n ALA 58 Ca -0.14 -0.22 0.22 0.00 0.00 0.00 0.00 53.44 53.30 2fe9 n ALA 58 Cb 0.96 -2.85 0.73 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.06 0.00 -0.00 -1.99 0.29 115.31 128.12 2fe9 h LEU 59 Ca -0.38 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 59 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2fe9 h LEU 59 CO 0.97 0.00 -0.80 1.23 -0.00 0.00 0.00 178.44 179.84 2fe9 h GLY 60 N 0.00 0.71 0.26 0.83 0.00 -1.98 -3.05 103.07 99.84 2fe9 h GLY 60 Ca 0.25 -1.14 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 2fe9 h GLY 60 CO -0.00 1.01 -0.07 0.00 0.00 0.00 0.00 176.54 177.48 2fe9 h ALA 61 N 0.43 -0.19 0.65 3.60 0.00 -0.96 -3.16 119.26 119.64 2fe9 h ALA 61 Ca -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2fe9 h ALA 61 Cb 1.46 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2fe9 h ALA 61 CO 0.16 -0.23 -0.31 0.07 0.00 0.00 0.00 179.25 178.93 2fe9 h ARG 62 N -0.93 -0.84 -0.33 0.00 0.11 -0.88 -0.48 114.38 111.02 2fe9 h ARG 62 Ca -0.02 0.06 0.10 0.00 0.10 0.00 0.00 59.98 60.21 2fe9 h ARG 62 Cb 0.49 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 2fe9 h ARG 62 CO 0.03 -0.56 0.58 0.00 0.10 0.00 0.00 179.97 180.12 2fe9 h ARG 63 N -0.99 0.00 0.19 0.08 3.08 -1.71 0.51 114.38 115.54 2fe9 h ARG 63 Ca -0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.65 2fe9 h ARG 63 Cb 0.67 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.75 2fe9 h ARG 63 CO 0.15 0.00 -1.35 -0.22 -1.07 0.00 0.00 179.97 177.48 2fe9 h LYS 64 N 0.00 0.57 -0.18 0.04 1.63 -1.40 -3.21 116.57 114.01 2fe9 h LYS 64 Ca 0.16 -0.87 0.05 0.00 -0.85 0.00 0.00 60.65 59.14 2fe9 h LYS 64 Cb 1.31 0.31 -0.01 0.00 -0.60 0.00 0.00 32.23 33.25 2fe9 h LYS 64 CO -0.00 1.41 0.24 -0.07 -3.45 0.00 0.00 179.45 177.58 2fe9 h LEU 65 N 0.17 0.00 -2.11 5.20 3.38 0.17 0.32 115.31 122.43 2fe9 h LEU 65 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2fe9 h LEU 65 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2fe9 h LEU 65 CO 0.25 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.71 2fe9 h LEU 66 N 0.00 0.00 0.00 1.67 3.38 -1.50 -0.23 115.31 118.63 2fe9 h LEU 66 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 66 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 2fe9 h LEU 66 CO -0.00 0.00 -1.08 0.11 0.09 0.00 0.00 178.44 177.56 2fe9 h LYS 67 N 0.00 0.64 -0.19 1.13 1.57 -0.55 -3.16 116.57 116.01 2fe9 h LYS 67 Ca 0.00 -0.72 -0.20 0.00 -1.87 0.00 0.00 60.65 57.85 2fe9 h LYS 67 Cb 0.15 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2fe9 h LYS 67 CO 0.00 1.31 -0.69 0.00 -0.57 0.00 0.00 179.45 179.50 2fe9 h ALA 68 N 0.43 0.41 -0.94 3.86 0.00 -1.23 -3.09 119.26 118.71 2fe9 h ALA 68 Ca -0.14 -0.57 0.12 0.00 0.00 0.00 0.00 54.91 54.32 2fe9 h ALA 68 Cb 1.73 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 2fe9 h ALA 68 CO 0.21 0.69 0.57 0.74 0.00 0.00 0.00 179.25 181.46 2fe9 h PHE 69 N 0.56 1.03 0.04 0.00 0.04 -1.16 -2.09 116.94 115.35 2fe9 h PHE 69 Ca -0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2fe9 h PHE 69 Cb 1.30 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.13 2fe9 h PHE 69 CO 0.08 0.40 -0.02 0.78 -0.60 0.00 0.00 178.31 178.94 2fe9 h GLY 70 N 0.90 -0.06 0.67 -1.45 0.00 -1.55 -2.41 103.07 99.17 2fe9 h GLY 70 Ca 0.47 0.02 0.15 0.00 0.00 0.00 0.00 47.33 47.96 2fe9 h GLY 70 CO -0.27 -0.02 0.51 -2.22 0.00 0.00 0.00 176.54 174.54 2fe9 h ILE 71 N -0.73 0.81 -0.14 2.60 2.04 -1.44 -0.47 117.51 120.18 2fe9 h ILE 71 Ca -0.01 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2fe9 h ILE 71 Cb 0.63 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2fe9 h ILE 71 CO 0.01 0.08 -0.23 0.58 0.00 0.00 0.00 178.15 178.59 2fe9 h VAL 72 N 0.47 1.37 -0.19 1.67 2.07 -1.42 -3.02 116.25 117.19 2fe9 h VAL 72 Ca 0.38 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.46 2fe9 h VAL 72 Cb 0.81 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2fe9 h VAL 72 CO -0.13 0.44 -0.04 0.40 0.02 0.00 0.00 177.57 178.25 2fe9 h ILE 73 N 0.01 0.81 0.42 4.57 2.04 -0.62 0.71 117.51 125.45 2fe9 h ILE 73 Ca 0.01 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2fe9 h ILE 73 Cb 0.81 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2fe9 h ILE 73 CO 0.05 0.00 -0.50 -0.78 0.00 0.00 0.00 178.15 176.92 2fe9 h ASP 74 N 0.01 -1.40 -0.49 1.72 1.82 -1.21 0.96 116.42 117.82 2fe9 h ASP 74 Ca 0.09 0.12 0.09 0.00 -0.39 0.00 0.00 57.03 56.94 2fe9 h ASP 74 Cb 0.14 0.47 -0.03 0.00 0.68 0.00 0.00 39.33 40.59 2fe9 h ASP 74 CO -0.20 -0.63 0.34 1.88 -1.61 0.00 0.00 179.24 179.02 2fe9 h TYR 75 N -0.94 0.29 -0.28 0.28 -1.99 -1.44 0.62 116.97 113.52 2fe9 h TYR 75 Ca -0.05 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.56 2fe9 h TYR 75 Cb 0.83 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 2fe9 h TYR 75 CO -0.29 0.15 -0.34 -0.22 -0.00 0.00 0.00 178.16 177.46 2fe9 h LYS 76 N 0.28 0.61 0.00 4.88 3.11 0.08 0.31 116.57 125.85 2fe9 h LYS 76 Ca 0.23 -0.28 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 2fe9 h LYS 76 Cb 0.52 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 2fe9 h LYS 76 CO -0.05 0.87 -0.27 0.93 -2.81 0.00 0.00 179.45 178.12 2fe9 h GLU 77 N 0.52 0.00 -0.77 1.90 4.39 0.53 -3.06 114.58 118.08 2fe9 h GLU 77 Ca 0.06 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 2fe9 h GLU 77 Cb 0.83 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.36 2fe9 h GLU 77 CO 0.07 0.27 0.25 0.54 -1.16 0.00 0.00 179.01 178.98 2fe9 n ARG 78 N -3.28 3.65 -2.35 2.33 1.74 0.17 -4.89 116.66 114.03 2fe9 n ARG 78 Ca 0.01 -2.89 -0.05 0.00 -0.77 0.00 0.00 57.85 54.15 2fe9 n ARG 78 Cb 0.54 -2.17 -0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2fe9 n ASP 79 N -0.08 -2.08 0.04 0.55 5.68 -1.10 -4.77 116.55 114.81 2fe9 n ASP 79 Ca 0.38 0.35 -0.08 0.00 -0.50 0.00 0.00 54.79 54.94 2fe9 n ASP 79 Cb 1.33 -1.89 -0.13 0.00 -1.14 0.00 0.00 41.12 39.29 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2fe9 h LEU 80 N 0.00 0.04 -9.63 -2.12 4.07 -0.63 -3.45 115.31 103.58 2fe9 h LEU 80 Ca -0.12 -0.04 -0.55 0.00 0.08 0.00 0.00 57.88 57.25 2fe9 h LEU 80 Cb 1.01 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 2fe9 h LEU 80 CO 0.14 1.04 0.09 -0.63 -1.08 0.00 0.00 178.44 177.99 2fe9 s ILE 81 N -2.68 4.65 0.19 1.22 1.01 -1.12 -5.00 121.20 119.49 2fe9 s ILE 81 Ca -0.01 1.49 -0.33 0.00 0.00 0.00 0.00 60.65 61.80 2fe9 s ILE 81 Cb 0.09 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.40 2fe9 s ILE 81 CO 0.83 0.47 1.68 -0.67 0.00 0.00 0.00 174.94 177.24 2fe9 n ASP 82 N 2.17 3.69 0.09 3.58 -0.08 -1.26 -4.82 116.55 119.92 2fe9 n ASP 82 Ca -0.06 1.07 0.07 0.00 -1.51 0.00 0.00 54.79 54.35 2fe9 n ASP 82 Cb 0.50 -1.52 0.35 0.00 2.34 0.00 0.00 41.12 42.78 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 3.80 0.08 -0.06 -0.67 5.12 -1.26 -1.18 116.66 122.49 2fe9 n ARG 83 Ca 0.16 0.57 -0.07 0.00 -1.93 0.00 0.00 57.85 56.59 2fe9 n ARG 83 Cb 0.33 -1.76 0.11 0.00 -1.16 0.00 0.00 32.46 29.98 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 0.71 -0.33 0.55 0.02 -2.03 -2.99 113.55 109.48 2fe9 h SER 84 Ca 0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2fe9 h SER 84 Cb 0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2fe9 h SER 84 CO 0.00 0.93 0.20 0.00 -1.14 0.00 0.00 176.83 176.82 2fe9 h ALA 85 N 1.13 0.42 0.00 3.77 0.00 -1.50 -3.51 119.26 119.57 2fe9 h ALA 85 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fe9 h ALA 85 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2fe9 h ALA 85 CO 0.06 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.88