#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 0.06 -4.44 6.43 5.15 -1.26 -5.04 115.26 116.17 2fe9 n ASN 2 Ca 0.00 -2.90 -0.44 0.00 -0.60 0.00 0.00 54.58 50.65 2fe9 n ASN 2 Cb 0.00 -0.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2fe9 n SER 3 N 0.98 5.17 -4.82 1.20 7.64 -1.26 -4.70 113.62 117.83 2fe9 n SER 3 Ca 0.21 -2.98 -0.37 0.00 1.01 0.00 0.00 58.87 56.74 2fe9 n SER 3 Cb 0.59 -1.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.14 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2fe9 s SER 4 N 2.89 6.98 -1.07 6.43 1.04 -1.26 -4.97 113.70 123.74 2fe9 s SER 4 Ca 0.44 1.20 -0.14 0.00 0.48 0.00 0.00 55.95 57.94 2fe9 s SER 4 Cb -0.01 -2.34 0.19 0.00 0.10 0.00 0.00 66.02 63.96 2fe9 s SER 4 CO 0.01 0.22 1.20 -0.04 0.98 0.00 0.00 173.24 175.61 2fe9 s MET 5 N -1.40 3.94 -0.41 4.02 -1.94 -1.26 -4.29 119.30 117.96 2fe9 s MET 5 Ca 0.32 -2.52 -0.28 0.00 -1.71 0.00 0.00 55.69 51.50 2fe9 s MET 5 Cb -0.18 -4.83 -0.02 0.00 2.01 0.00 0.00 34.83 31.81 2fe9 s MET 5 CO 0.19 -1.59 1.77 -0.80 -0.01 0.00 0.00 175.02 174.58 2fe9 s ASN 6 N 2.59 5.79 0.02 3.03 -0.87 -1.26 -4.84 114.94 119.39 2fe9 s ASN 6 Ca 0.34 1.00 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 2fe9 s ASN 6 Cb -0.06 -2.53 0.12 0.00 -0.02 0.00 0.00 41.25 38.76 2fe9 s ASN 6 CO -0.05 -1.84 1.08 -2.65 -2.57 0.00 0.00 177.10 171.06 2fe9 n PRO 7 N 8.57 0.01 -0.06 -0.60 -0.02 -1.26 -0.76 135.00 140.88 2fe9 n PRO 7 Ca 0.22 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2fe9 n PRO 7 Cb 0.48 -1.52 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.96 -3.23 116.57 117.44 2fe9 h LYS 8 Ca 0.00 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.36 2fe9 h LYS 8 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2fe9 h LYS 8 CO 0.00 0.80 -1.00 0.77 -2.06 0.00 0.00 179.45 177.96 2fe9 h SER 9 N -0.97 0.46 0.33 0.86 0.02 -1.76 -2.85 113.55 109.64 2fe9 h SER 9 Ca -0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2fe9 h SER 9 Cb 0.81 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2fe9 h SER 9 CO 0.00 1.22 0.00 0.18 -1.14 0.00 0.00 176.83 177.09 2fe9 n LEU 10 N -3.68 0.00 -0.20 5.07 4.77 0.06 -2.22 117.00 120.80 2fe9 n LEU 10 Ca -0.07 0.41 0.04 0.00 -0.03 0.00 0.00 56.01 56.36 2fe9 n LEU 10 Cb 0.88 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2fe9 n LEU 10 CO 0.51 -0.24 0.42 0.35 -1.33 0.00 0.00 177.39 177.10 2fe9 n THR 11 N -1.41 0.95 -3.79 -5.08 -2.24 -1.18 -4.60 114.28 96.93 2fe9 n THR 11 Ca 0.04 -1.11 -0.37 0.00 -2.27 0.00 0.00 64.05 60.34 2fe9 n THR 11 Cb 0.12 0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.72 5.13 0.66 3.42 2.15 -0.94 -4.55 116.67 120.81 2fe9 s ASP 12 Ca 0.14 -1.00 0.12 0.00 0.43 0.00 0.00 52.55 52.24 2fe9 s ASP 12 Cb 0.12 -1.84 0.62 0.00 -0.30 0.00 0.00 42.92 41.52 2fe9 s ASP 12 CO 0.01 -0.26 1.33 -0.65 -0.17 0.00 0.00 175.17 175.43 2fe9 h PRO 13 N 8.19 0.00 -0.02 4.34 0.11 -1.90 0.15 132.00 142.86 2fe9 h PRO 13 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2fe9 h PRO 13 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fe9 h PRO 13 CO 0.59 0.00 0.01 -0.22 -0.21 0.00 0.00 178.00 178.18 2fe9 h LYS 14 N 0.00 0.03 0.02 1.05 3.11 -1.93 0.20 116.57 119.05 2fe9 h LYS 14 Ca 0.05 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.77 2fe9 h LYS 14 Cb 1.65 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 32.88 2fe9 h LYS 14 CO -0.00 0.04 -0.45 -0.07 -2.81 0.00 0.00 179.45 176.16 2fe9 h LEU 15 N 0.00 0.35 -0.45 5.20 -0.00 -0.96 -2.88 115.31 116.58 2fe9 h LEU 15 Ca 0.01 -0.82 0.09 0.00 -0.00 0.00 0.00 57.88 57.15 2fe9 h LEU 15 Cb 0.02 -0.11 -0.08 0.00 -0.00 0.00 0.00 40.66 40.49 2fe9 h LEU 15 CO -0.00 1.13 -0.05 -0.07 -0.00 0.00 0.00 178.44 179.45 2fe9 h LEU 16 N -0.38 -0.29 -1.40 1.67 3.38 -1.36 0.21 115.31 117.14 2fe9 h LEU 16 Ca -0.06 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2fe9 h LEU 16 Cb 1.23 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2fe9 h LEU 16 CO 0.09 -0.10 -0.27 0.11 0.09 0.00 0.00 178.44 178.35 2fe9 h LYS 17 N 0.06 0.00 -2.44 1.13 1.57 -0.72 -3.22 116.57 112.95 2fe9 h LYS 17 Ca 0.22 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.31 2fe9 h LYS 17 Cb 0.33 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.28 2fe9 h LYS 17 CO -0.41 0.27 0.00 -1.71 -0.57 0.00 0.00 179.45 177.03 2fe9 n ASN 18 N -3.75 5.08 -0.36 0.86 5.15 0.68 -4.93 115.26 117.99 2fe9 n ASN 18 Ca -0.01 -3.50 0.05 0.00 -0.60 0.00 0.00 54.58 50.52 2fe9 n ASN 18 Cb 0.37 -0.89 0.12 0.00 -0.53 0.00 0.00 39.78 38.85 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 0.74 -0.43 -0.27 -1.44 2.08 -0.74 0.99 119.36 120.30 2fe9 n ILE 19 Ca 0.31 2.25 0.09 0.00 0.56 0.00 0.00 62.75 65.95 2fe9 n ILE 19 Cb 0.37 -3.09 0.23 0.00 -0.75 0.00 0.00 39.64 36.39 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 0.21 -0.22 0.38 0.11 -1.84 0.30 132.00 130.94 2fe9 h PRO 20 Ca 0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.51 2fe9 h PRO 20 Cb 0.70 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2fe9 h PRO 20 CO -1.00 0.14 -0.00 1.98 -0.21 0.00 0.00 178.00 178.91 2fe9 h MET 21 N 0.22 0.40 -0.95 1.05 4.05 0.37 -2.27 114.93 117.80 2fe9 h MET 21 Ca 0.48 -0.13 0.20 0.00 -0.28 0.00 0.00 59.70 59.97 2fe9 h MET 21 Cb 0.89 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.57 2fe9 h MET 21 CO -0.60 0.58 0.61 2.35 0.23 0.00 0.00 176.91 180.08 2fe9 h TRP 22 N 0.16 0.73 0.00 1.39 7.01 0.21 0.30 115.95 125.75 2fe9 h TRP 22 Ca 0.06 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.94 2fe9 h TRP 22 Cb 0.41 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 2fe9 h TRP 22 CO 0.04 0.18 -0.68 -0.07 -2.79 0.00 0.00 178.44 175.12 2fe9 h LEU 23 N 0.54 0.00 -0.88 0.65 3.38 -0.28 -3.20 115.31 115.51 2fe9 h LEU 23 Ca 0.51 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.54 2fe9 h LEU 23 Cb 1.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 2fe9 h LEU 23 CO -0.25 0.68 0.55 0.50 0.09 0.00 0.00 178.44 180.01 2fe9 h LYS 24 N 0.00 1.00 0.00 1.13 3.11 0.18 0.36 116.57 122.35 2fe9 h LYS 24 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2fe9 h LYS 24 Cb 1.29 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2fe9 h LYS 24 CO 0.09 0.66 0.00 0.43 -2.81 0.00 0.00 179.45 177.82 2fe9 n SER 25 N -4.58 0.00 -0.19 4.20 7.64 -1.09 -2.20 113.62 117.40 2fe9 n SER 25 Ca 0.12 -0.15 0.02 0.00 1.01 0.00 0.00 58.87 59.87 2fe9 n SER 25 Cb 0.15 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.23 1.56 -0.27 -3.43 4.77 0.84 -4.48 117.00 114.75 2fe9 n LEU 26 Ca 0.12 -1.20 -0.04 0.00 -0.03 0.00 0.00 56.01 54.86 2fe9 n LEU 26 Cb 0.16 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2fe9 n LEU 26 CO 0.16 0.36 -0.03 0.54 -1.33 0.00 0.00 177.39 177.08 2fe9 n ARG 27 N 0.17 -1.23 -0.75 3.23 5.12 0.89 -4.44 116.66 119.65 2fe9 n ARG 27 Ca 0.03 0.50 0.01 0.00 -1.93 0.00 0.00 57.85 56.45 2fe9 n ARG 27 Cb 0.15 -4.51 0.27 0.00 -1.16 0.00 0.00 32.46 27.21 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 -0.40 4.83 0.12 0.55 4.77 0.25 -4.38 117.00 122.74 2fe9 n LEU 28 Ca -0.04 -3.25 0.08 0.00 -0.03 0.00 0.00 56.01 52.78 2fe9 n LEU 28 Cb 0.36 -0.64 0.45 0.00 -2.33 0.00 0.00 43.42 41.26 2fe9 n LEU 28 CO 0.05 0.84 0.75 0.00 -1.33 0.00 0.00 177.39 177.71 2fe9 n HIS 29 N -0.47 0.56 -0.23 -1.77 1.44 -1.15 -0.17 115.22 113.43 2fe9 n HIS 29 Ca 0.31 0.29 0.09 0.00 -2.01 0.00 0.00 57.72 56.40 2fe9 n HIS 29 Cb 1.12 -0.96 0.36 0.00 0.12 0.00 0.00 29.99 30.63 2fe9 n HIS 29 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2fe9 h LYS 30 N 0.00 0.72 -0.45 -1.40 1.57 -1.90 -0.33 116.57 114.78 2fe9 h LYS 30 Ca 0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2fe9 h LYS 30 Cb 0.01 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.07 2fe9 h LYS 30 CO 0.00 0.47 0.08 0.66 -0.57 0.00 0.00 179.45 180.10 2fe9 n TYR 31 N -4.51 1.49 -0.15 -1.35 4.01 0.77 -4.62 117.16 112.79 2fe9 n TYR 31 Ca 0.14 -1.29 -0.08 0.00 -0.16 0.00 0.00 57.90 56.51 2fe9 n TYR 31 Cb 0.34 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fe9 h SER 32 N 1.63 0.60 -0.75 7.72 0.02 -0.99 0.23 113.55 122.01 2fe9 h SER 32 Ca 0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2fe9 h SER 32 Cb 1.83 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 64.18 2fe9 h SER 32 CO 0.46 0.57 0.40 0.44 -1.14 0.00 0.00 176.83 177.57 2fe9 h ASP 33 N 0.58 0.96 1.21 3.07 3.32 -1.82 1.24 116.42 124.97 2fe9 h ASP 33 Ca 0.15 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 2fe9 h ASP 33 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2fe9 h ASP 33 CO -0.02 0.78 -0.70 0.00 -1.72 0.00 0.00 179.24 177.58 2fe9 h ALA 34 N 1.37 0.58 -0.00 3.45 0.00 -1.77 -3.31 119.26 119.58 2fe9 h ALA 34 Ca 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2fe9 h ALA 34 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2fe9 h ALA 34 CO -0.04 0.87 -0.78 1.28 0.00 0.00 0.00 179.25 180.59 2fe9 n LEU 35 N -3.32 0.99 -0.09 0.00 4.32 0.79 -4.48 117.00 115.20 2fe9 n LEU 35 Ca 0.01 -0.54 -0.11 0.00 -0.02 0.00 0.00 56.01 55.35 2fe9 n LEU 35 Cb 0.80 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.56 2fe9 n LEU 35 CO 0.43 0.23 0.78 -1.28 -1.22 0.00 0.00 177.39 176.33 2fe9 h SER 36 N 0.31 0.45 0.00 -1.43 0.87 0.15 -2.38 113.55 111.52 2fe9 h SER 36 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2fe9 h SER 36 Cb 0.45 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2fe9 h SER 36 CO 0.00 0.63 0.11 0.61 -0.53 0.00 0.00 176.83 177.66 2fe9 n GLY 37 N -0.37 -0.49 3.24 5.77 0.00 -1.26 -4.33 105.19 107.75 2fe9 n GLY 37 Ca -0.03 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.96 2.37 1.25 2.61 2.01 -0.89 -5.13 115.64 114.89 2fe9 s THR 38 Ca -0.00 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 2fe9 s THR 38 Cb 0.01 -1.96 0.32 0.00 0.01 0.00 0.00 72.50 70.88 2fe9 s THR 38 CO 0.04 0.54 0.97 -0.81 -0.69 0.00 0.00 174.62 174.66 2fe9 n PRO 39 N 3.83 -3.63 -0.03 4.92 -0.04 -1.26 -4.66 135.00 134.13 2fe9 n PRO 39 Ca -0.19 -1.57 -0.13 0.00 -0.04 0.00 0.00 63.50 61.57 2fe9 n PRO 39 Cb 0.52 -1.64 -0.11 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 -2.98 0.01 -0.53 0.54 5.08 -1.94 0.35 115.95 116.47 2fe9 h TRP 40 Ca -0.39 -0.00 0.15 0.00 1.08 0.00 0.00 58.89 59.74 2fe9 h TRP 40 Cb 1.22 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.35 2fe9 h TRP 40 CO 0.00 0.63 0.62 0.97 -1.28 0.00 0.00 178.44 179.37 2fe9 h ILE 41 N -0.61 0.27 0.02 0.12 6.09 -1.91 0.49 117.51 121.97 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 0.63 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.35 2fe9 h ILE 41 CO 0.00 0.00 -2.36 -0.62 -3.07 0.00 0.00 178.15 172.10 2fe9 n GLU 42 N -3.56 0.67 0.36 2.19 -0.58 -1.18 -3.94 120.64 114.61 2fe9 n GLU 42 Ca 0.11 0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.80 2fe9 n GLU 42 Cb 0.82 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.30 -0.54 -4.62 7.12 0.30 0.13 115.31 116.40 2fe9 h LEU 43 Ca -0.54 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2fe9 h LEU 43 Cb 2.00 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 42.54 2fe9 h LEU 43 CO -0.03 -0.70 0.08 2.30 -0.13 0.00 0.00 178.44 179.95 2fe9 n ILE 44 N -5.51 1.38 0.38 4.05 -5.35 0.14 -0.09 119.36 114.36 2fe9 n ILE 44 Ca -0.13 0.60 0.10 0.00 -0.27 0.00 0.00 62.75 63.05 2fe9 n ILE 44 Cb 0.48 -1.60 -0.14 0.00 -1.74 0.00 0.00 39.64 36.63 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 -1.76 0.00 -0.04 4.28 4.02 -0.29 -4.48 117.16 118.89 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 0.09 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 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 -1.93 0.00 -4.00 7.72 4.77 0.87 -5.06 117.00 119.36 2fe9 n LEU 46 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2fe9 n LEU 46 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2fe9 n LEU 46 CO 0.43 -0.72 0.18 1.51 -1.33 0.00 0.00 177.39 177.46 2fe9 s ASP 47 N -1.87 -0.00 0.23 -1.43 -4.77 -1.26 -5.00 116.67 102.57 2fe9 s ASP 47 Ca 0.00 -0.99 -0.07 0.00 -3.30 0.00 0.00 52.55 48.19 2fe9 s ASP 47 Cb 0.00 0.60 0.40 0.00 -1.09 0.00 0.00 42.92 42.83 2fe9 s ASP 47 CO 0.00 -1.17 1.67 -2.24 0.70 0.00 0.00 175.17 174.13 2fe9 h ASP 48 N 2.24 -0.14 0.05 2.11 3.04 -1.95 -1.62 116.42 120.14 2fe9 h ASP 48 Ca -0.26 0.16 -0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2fe9 h ASP 48 Cb 1.25 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 2fe9 h ASP 48 CO 0.36 -0.09 -0.02 -0.08 -2.04 0.00 0.00 179.24 177.37 2fe9 h GLU 49 N 0.19 -0.06 -0.77 4.15 4.81 -1.95 -2.99 114.58 117.95 2fe9 h GLU 49 Ca 0.38 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.79 2fe9 h GLU 49 Cb 0.65 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 2fe9 h GLU 49 CO -0.54 0.26 0.23 1.15 -0.73 0.00 0.00 179.01 179.38 2fe9 h THR 50 N -0.39 0.51 -0.79 0.32 2.02 -1.80 0.40 112.91 113.18 2fe9 h THR 50 Ca -0.01 -0.11 0.16 0.00 0.77 0.00 0.00 66.41 67.23 2fe9 h THR 50 Cb 0.35 0.18 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 2fe9 h THR 50 CO 0.01 0.06 0.30 -0.07 0.37 0.00 0.00 175.52 176.19 2fe9 h LEU 51 N 0.31 0.25 -0.97 2.58 3.38 -1.23 0.40 115.31 120.04 2fe9 h LEU 51 Ca 0.45 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 2fe9 h LEU 51 Cb 0.78 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2fe9 h LEU 51 CO -0.51 0.06 0.59 -0.08 0.09 0.00 0.00 178.44 178.59 2fe9 h GLU 52 N 0.41 1.29 0.00 1.13 4.81 0.18 0.20 114.58 122.60 2fe9 h GLU 52 Ca 0.45 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2fe9 h GLU 52 Cb 0.73 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2fe9 h GLU 52 CO -0.45 0.90 -0.22 0.87 -0.73 0.00 0.00 179.01 179.38 2fe9 h LYS 53 N 1.32 0.00 0.24 1.92 1.79 0.62 -3.17 116.57 119.30 2fe9 h LYS 53 Ca 0.34 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.80 2fe9 h LYS 53 Cb -0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2fe9 h LYS 53 CO -0.07 0.22 -0.12 0.87 -1.08 0.00 0.00 179.45 179.28 2fe9 h LYS 54 N 0.00 -0.31 0.00 3.15 1.79 0.11 -3.48 116.57 117.83 2fe9 h LYS 54 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2fe9 h LYS 54 Cb 0.40 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2fe9 h LYS 54 CO 0.03 -0.17 0.00 0.41 -1.08 0.00 0.00 179.45 178.64 2fe9 n GLY 55 N 0.92 0.00 3.56 3.86 0.00 -0.15 -4.75 105.19 108.62 2fe9 n GLY 55 Ca -0.05 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 3.38 -0.38 1.61 1.01 0.52 -4.77 120.40 121.77 2fe9 s VAL 56 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2fe9 s VAL 56 Cb 0.00 -3.87 0.66 0.00 0.00 0.00 0.00 36.38 33.17 2fe9 s VAL 56 CO 0.00 -0.80 1.80 0.18 0.00 0.00 0.00 175.10 176.27 2fe9 n LEU 57 N 14.72 6.18 -4.15 3.92 4.32 -1.26 -2.34 117.00 138.39 2fe9 n LEU 57 Ca 0.41 -3.26 -0.34 0.00 -0.02 0.00 0.00 56.01 52.80 2fe9 n LEU 57 Cb 0.46 -0.78 -0.14 0.00 -1.62 0.00 0.00 43.42 41.35 2fe9 n LEU 57 CO 0.59 0.90 -0.37 0.00 -1.22 0.00 0.00 177.39 177.29 2fe9 s ALA 58 N -2.94 2.78 0.55 -1.18 0.00 -1.26 -4.95 121.76 114.76 2fe9 s ALA 58 Ca 0.52 -1.78 0.36 0.00 0.00 0.00 0.00 51.96 51.05 2fe9 s ALA 58 Cb 0.43 -1.89 1.53 0.00 0.00 0.00 0.00 23.12 23.19 2fe9 s ALA 58 CO 0.11 -1.27 1.81 -0.07 0.00 0.00 0.00 175.76 176.34 2fe9 h LEU 59 N 7.96 0.00 -0.00 0.00 -0.00 -1.97 0.81 115.31 122.10 2fe9 h LEU 59 Ca -0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.60 2fe9 h LEU 59 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2fe9 h LEU 59 CO 0.52 0.00 -0.30 1.23 -0.00 0.00 0.00 178.44 179.90 2fe9 h GLY 60 N 0.00 0.23 2.00 0.83 0.00 -1.99 -3.06 103.07 101.08 2fe9 h GLY 60 Ca 0.53 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 2fe9 h GLY 60 CO -0.01 0.35 -0.68 0.00 0.00 0.00 0.00 176.54 176.21 2fe9 h ALA 61 N 0.27 0.83 0.15 3.60 0.00 -0.92 -2.95 119.26 120.24 2fe9 h ALA 61 Ca -0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2fe9 h ALA 61 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2fe9 h ALA 61 CO 0.06 0.84 -0.07 0.00 0.00 0.00 0.00 179.25 180.08 2fe9 h ARG 62 N 0.00 -0.20 0.00 0.00 3.08 0.32 -2.30 114.38 115.28 2fe9 h ARG 62 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2fe9 h ARG 62 Cb 1.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2fe9 h ARG 62 CO 0.09 -0.13 0.21 0.00 -1.07 0.00 0.00 179.97 179.07 2fe9 h ARG 63 N -0.48 0.00 0.04 0.04 3.08 -1.69 -0.10 114.38 115.28 2fe9 h ARG 63 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2fe9 h ARG 63 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2fe9 h ARG 63 CO 0.03 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 179.78 2fe9 h LYS 64 N 0.00 -0.06 -0.59 0.04 6.56 -1.49 -3.22 116.57 117.82 2fe9 h LYS 64 Ca 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.77 2fe9 h LYS 64 Cb 0.43 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 2fe9 h LYS 64 CO 0.00 0.57 0.46 -0.07 -2.06 0.00 0.00 179.45 178.35 2fe9 h LEU 65 N -0.79 0.00 -2.20 2.94 3.38 -0.42 0.29 115.31 118.51 2fe9 h LEU 65 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2fe9 h LEU 65 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2fe9 h LEU 65 CO 0.01 0.00 0.09 -0.07 0.09 0.00 0.00 178.44 178.56 2fe9 h LEU 66 N 0.00 0.00 -0.25 1.67 3.38 -1.53 0.31 115.31 118.90 2fe9 h LEU 66 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 2fe9 h LEU 66 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2fe9 h LEU 66 CO -0.00 0.00 -0.54 0.11 0.09 0.00 0.00 178.44 178.10 2fe9 h LYS 67 N 0.00 0.81 0.00 1.13 1.79 -0.56 -2.79 116.57 116.95 2fe9 h LYS 67 Ca 0.05 -0.53 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 2fe9 h LYS 67 Cb 0.22 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2fe9 h LYS 67 CO -0.00 1.16 -0.15 0.00 -1.08 0.00 0.00 179.45 179.38 2fe9 h ALA 68 N 0.64 1.00 -0.17 3.86 0.00 -0.91 -3.04 119.26 120.64 2fe9 h ALA 68 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2fe9 h ALA 68 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2fe9 h ALA 68 CO 0.12 0.18 -0.36 0.74 0.00 0.00 0.00 179.25 179.93 2fe9 h PHE 69 N 0.00 0.69 -0.02 0.00 0.04 -0.26 -3.21 116.94 114.19 2fe9 h PHE 69 Ca -0.00 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.48 2fe9 h PHE 69 Cb 0.73 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2fe9 h PHE 69 CO 0.00 1.00 -0.12 0.78 -0.60 0.00 0.00 178.31 179.36 2fe9 h GLY 70 N 0.19 0.12 0.61 -1.45 0.00 -1.47 -2.91 103.07 98.15 2fe9 h GLY 70 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 47.33 47.31 2fe9 h GLY 70 CO 0.08 0.16 0.52 -2.22 0.00 0.00 0.00 176.54 175.08 2fe9 h ILE 71 N -0.54 0.75 -0.04 2.60 2.04 -1.67 -0.93 117.51 119.73 2fe9 h ILE 71 Ca -0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2fe9 h ILE 71 Cb 0.82 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2fe9 h ILE 71 CO 0.02 0.06 -0.07 0.58 0.00 0.00 0.00 178.15 178.75 2fe9 h VAL 72 N 0.35 1.43 -0.19 1.67 2.07 -1.59 -2.83 116.25 117.15 2fe9 h VAL 72 Ca 0.38 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2fe9 h VAL 72 Cb 0.98 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 2fe9 h VAL 72 CO -0.11 0.37 -0.13 0.40 0.02 0.00 0.00 177.57 178.12 2fe9 h ILE 73 N -0.41 0.62 0.83 4.57 2.04 -1.01 0.44 117.51 124.59 2fe9 h ILE 73 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2fe9 h ILE 73 Cb 0.64 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2fe9 h ILE 73 CO 0.01 0.00 -0.49 -0.78 0.00 0.00 0.00 178.15 176.90 2fe9 h ASP 74 N -0.13 -1.22 -0.41 1.72 3.58 -1.34 0.99 116.42 119.60 2fe9 h ASP 74 Ca 0.11 0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.71 2fe9 h ASP 74 Cb 0.30 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2fe9 h ASP 74 CO -0.27 -0.77 0.29 1.88 -2.88 0.00 0.00 179.24 177.49 2fe9 h TYR 75 N -1.23 0.18 -0.48 0.28 0.05 -1.41 0.63 116.97 114.99 2fe9 h TYR 75 Ca -0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.57 2fe9 h TYR 75 Cb 0.98 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 2fe9 h TYR 75 CO -0.08 0.09 -0.11 -0.22 -1.05 0.00 0.00 178.16 176.78 2fe9 h LYS 76 N 0.17 0.92 0.00 4.88 3.64 0.59 0.23 116.57 127.00 2fe9 h LYS 76 Ca 0.19 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2fe9 h LYS 76 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2fe9 h LYS 76 CO -0.03 1.01 0.00 0.93 -2.27 0.00 0.00 179.45 179.09 2fe9 h GLU 77 N 0.77 0.00 -0.64 1.90 5.08 0.52 -2.91 114.58 119.31 2fe9 h GLU 77 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2fe9 h GLU 77 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2fe9 h GLU 77 CO 0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 2fe9 n ARG 78 N -2.66 4.38 -2.10 2.33 1.74 0.18 -4.88 116.66 115.64 2fe9 n ARG 78 Ca 0.03 -2.73 -0.15 0.00 -0.77 0.00 0.00 57.85 54.23 2fe9 n ARG 78 Cb 0.37 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 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 0.55 -4.26 -0.00 0.55 9.92 -1.10 -4.80 116.55 117.41 2fe9 n ASP 79 Ca 0.24 0.21 0.12 0.00 -0.53 0.00 0.00 54.79 54.84 2fe9 n ASP 79 Cb 1.07 -3.69 0.34 0.00 -0.64 0.00 0.00 41.12 38.20 2fe9 n ASP 79 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2fe9 n LEU 80 N -2.57 0.38 -4.50 0.64 4.32 0.76 -4.82 117.00 111.22 2fe9 n LEU 80 Ca -0.17 0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.61 2fe9 n LEU 80 Cb 0.58 -0.31 -0.13 0.00 -1.62 0.00 0.00 43.42 41.95 2fe9 n LEU 80 CO 0.21 0.10 -0.41 -0.63 -1.22 0.00 0.00 177.39 175.43 2fe9 s ILE 81 N -3.00 3.40 0.26 -0.08 1.01 -1.19 -4.93 121.20 116.66 2fe9 s ILE 81 Ca 0.12 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 2fe9 s ILE 81 Cb 0.18 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 40.14 2fe9 s ILE 81 CO 0.66 0.57 1.62 -0.62 0.00 0.00 0.00 174.94 177.17 2fe9 s ASP 82 N -0.42 6.41 0.18 3.58 -1.08 -1.26 -4.84 116.67 119.23 2fe9 s ASP 82 Ca 0.06 2.89 0.14 0.00 -0.52 0.00 0.00 52.55 55.11 2fe9 s ASP 82 Cb -0.12 -2.62 0.70 0.00 -1.46 0.00 0.00 42.92 39.41 2fe9 s ASP 82 CO 0.02 -0.91 1.42 0.54 0.52 0.00 0.00 175.17 176.76 2fe9 n ARG 83 N 2.85 0.09 -0.04 4.34 5.12 -1.26 -1.42 116.66 126.34 2fe9 n ARG 83 Ca 0.11 0.54 -0.06 0.00 -1.93 0.00 0.00 57.85 56.50 2fe9 n ARG 83 Cb 0.37 -1.75 0.13 0.00 -1.16 0.00 0.00 32.46 30.05 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 0.65 -0.53 0.55 0.87 -2.02 -2.92 113.55 110.15 2fe9 h SER 84 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2fe9 h SER 84 Cb 0.06 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2fe9 h SER 84 CO 0.00 0.89 0.34 0.00 -0.53 0.00 0.00 176.83 177.53 2fe9 h ALA 85 N 1.16 0.67 0.00 6.23 0.00 -1.58 -3.50 119.26 122.23 2fe9 h ALA 85 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fe9 h ALA 85 Cb 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2fe9 h ALA 85 CO 0.06 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.09