#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 -0.40 -0.43 -3.46 4.22 -1.26 -5.13 114.94 108.49 2fe9 s ASN 2 Ca 0.00 0.71 -0.22 0.00 -2.14 0.00 0.00 52.86 51.22 2fe9 s ASN 2 Cb 0.00 0.87 0.02 0.00 1.28 0.00 0.00 41.25 43.42 2fe9 s ASN 2 CO 0.00 -0.12 0.70 -0.94 -2.04 0.00 0.00 177.10 174.70 2fe9 s SER 3 N 0.57 6.38 0.00 3.54 1.04 -1.26 -4.80 113.70 119.16 2fe9 s SER 3 Ca -0.00 -0.16 0.15 0.00 0.48 0.00 0.00 55.95 56.41 2fe9 s SER 3 Cb -0.04 -2.35 0.16 0.00 0.10 0.00 0.00 66.02 63.88 2fe9 s SER 3 CO -0.10 -0.80 1.02 -1.20 0.98 0.00 0.00 173.24 173.13 2fe9 n SER 4 N 6.40 2.36 -3.31 7.02 7.64 -1.26 -5.01 113.62 127.45 2fe9 n SER 4 Ca 0.00 -1.66 -0.17 0.00 1.01 0.00 0.00 58.87 58.04 2fe9 n SER 4 Cb 0.48 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.83 -2.16 -1.56 1.43 2.81 -1.26 -4.84 117.12 112.36 2fe9 n MET 5 Ca 0.09 0.81 -0.43 0.00 -1.81 0.00 0.00 57.70 56.36 2fe9 n MET 5 Cb 0.38 -5.60 -0.04 0.00 -0.71 0.00 0.00 33.22 27.26 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 -3.15 2.88 0.00 7.83 4.13 -1.26 -4.81 115.26 120.88 2fe9 n ASN 6 Ca -0.08 0.12 0.07 0.00 1.68 0.00 0.00 54.58 56.37 2fe9 n ASN 6 Cb 0.62 -1.50 0.32 0.00 -1.54 0.00 0.00 39.78 37.67 2fe9 n ASN 6 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2fe9 n PRO 7 N 8.71 0.07 -0.07 3.52 -0.04 -1.26 -1.21 135.00 144.73 2fe9 n PRO 7 Ca 0.34 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.92 2fe9 n PRO 7 Cb 0.42 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 2fe9 n PRO 7 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2fe9 h LYS 8 N 0.00 0.00 0.03 0.54 6.56 -1.96 -3.28 116.57 118.46 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 0.20 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2fe9 h LYS 8 CO 0.00 0.73 -1.06 1.03 -2.06 0.00 0.00 179.45 178.09 2fe9 h SER 9 N -1.00 0.76 0.24 0.86 0.87 -1.91 -3.12 113.55 110.25 2fe9 h SER 9 Ca -0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2fe9 h SER 9 Cb 0.73 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2fe9 h SER 9 CO -0.00 1.44 0.00 0.18 -0.53 0.00 0.00 176.83 177.92 2fe9 n LEU 10 N -3.79 0.00 -0.29 2.23 4.77 -0.35 -1.77 117.00 117.80 2fe9 n LEU 10 Ca -0.10 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.36 2fe9 n LEU 10 Cb 0.90 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.71 2fe9 n LEU 10 CO 0.55 -0.28 0.46 0.35 -1.33 0.00 0.00 177.39 177.14 2fe9 n THR 11 N -1.40 1.57 -3.83 -5.08 -2.24 -1.18 -4.70 114.28 97.41 2fe9 n THR 11 Ca 0.03 -2.03 -0.36 0.00 -2.27 0.00 0.00 64.05 59.42 2fe9 n THR 11 Cb 0.09 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.61 4.78 0.66 3.42 -1.08 -0.73 -4.58 116.67 116.54 2fe9 s ASP 12 Ca 0.28 -0.63 0.10 0.00 -0.52 0.00 0.00 52.55 51.79 2fe9 s ASP 12 Cb 0.26 -1.81 0.56 0.00 -1.46 0.00 0.00 42.92 40.47 2fe9 s ASP 12 CO -0.00 -0.13 1.31 -0.65 0.52 0.00 0.00 175.17 176.22 2fe9 h PRO 13 N 8.16 0.00 0.47 4.34 0.11 -1.90 0.19 132.00 143.37 2fe9 h PRO 13 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2fe9 h PRO 13 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2fe9 h PRO 13 CO 0.59 0.00 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.94 2fe9 h LYS 14 N 0.00 -0.60 -0.10 1.05 3.11 -1.93 0.22 116.57 118.32 2fe9 h LYS 14 Ca 0.01 0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.78 2fe9 h LYS 14 Cb 1.57 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2fe9 h LYS 14 CO -0.00 -0.38 -0.36 -0.07 -2.81 0.00 0.00 179.45 175.83 2fe9 h LEU 15 N -0.67 0.48 -0.50 5.20 -0.00 -1.21 -2.83 115.31 115.77 2fe9 h LEU 15 Ca -0.06 -0.62 0.10 0.00 -0.00 0.00 0.00 57.88 57.29 2fe9 h LEU 15 Cb 0.50 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 40.94 2fe9 h LEU 15 CO 0.10 1.02 0.02 -0.07 -0.00 0.00 0.00 178.44 179.51 2fe9 h LEU 16 N -0.03 -0.18 -1.34 1.67 3.38 -1.42 0.24 115.31 117.62 2fe9 h LEU 16 Ca -0.02 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2fe9 h LEU 16 Cb 0.99 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2fe9 h LEU 16 CO 0.08 -0.06 -0.26 0.11 0.09 0.00 0.00 178.44 178.39 2fe9 h LYS 17 N 0.13 0.00 -2.40 1.13 1.57 -1.02 -3.22 116.57 112.76 2fe9 h LYS 17 Ca 0.25 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.36 2fe9 h LYS 17 Cb 0.38 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.32 2fe9 h LYS 17 CO -0.41 0.26 -0.12 -1.71 -0.57 0.00 0.00 179.45 176.91 2fe9 n ASN 18 N -3.64 4.85 -0.35 0.86 5.15 0.76 -4.93 115.26 117.97 2fe9 n ASN 18 Ca -0.01 -3.50 0.06 0.00 -0.60 0.00 0.00 54.58 50.53 2fe9 n ASN 18 Cb 0.39 -0.85 0.14 0.00 -0.53 0.00 0.00 39.78 38.93 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 0.73 -0.40 -0.29 -1.44 2.08 -0.74 0.87 119.36 120.16 2fe9 n ILE 19 Ca 0.30 2.20 0.12 0.00 0.56 0.00 0.00 62.75 65.94 2fe9 n ILE 19 Cb 0.37 -3.05 0.28 0.00 -0.75 0.00 0.00 39.64 36.50 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 0.29 -0.20 0.38 0.11 -1.84 0.44 132.00 131.18 2fe9 h PRO 20 Ca 0.46 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.38 2fe9 h PRO 20 Cb 0.71 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2fe9 h PRO 20 CO -0.99 0.19 -0.57 1.98 -0.21 0.00 0.00 178.00 178.41 2fe9 h MET 21 N 0.30 0.74 -0.74 1.05 4.05 0.21 -2.35 114.93 118.19 2fe9 h MET 21 Ca 0.54 -0.53 0.14 0.00 -0.28 0.00 0.00 59.70 59.58 2fe9 h MET 21 Cb 1.04 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.88 2fe9 h MET 21 CO -0.58 1.15 0.50 2.35 0.23 0.00 0.00 176.91 180.56 2fe9 h TRP 22 N 0.46 0.49 0.00 1.39 7.01 0.20 0.32 115.95 125.82 2fe9 h TRP 22 Ca -0.01 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 2fe9 h TRP 22 Cb 1.19 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.08 2fe9 h TRP 22 CO 0.09 0.19 -0.55 -0.07 -2.79 0.00 0.00 178.44 175.30 2fe9 h LEU 23 N 0.42 0.00 -1.01 0.65 3.38 -0.09 -3.17 115.31 115.49 2fe9 h LEU 23 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 2fe9 h LEU 23 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2fe9 h LEU 23 CO -0.12 0.55 0.31 0.50 0.09 0.00 0.00 178.44 179.78 2fe9 h LYS 24 N 0.00 1.01 0.00 1.13 1.63 0.17 0.69 116.57 121.21 2fe9 h LYS 24 Ca -0.01 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2fe9 h LYS 24 Cb 1.24 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2fe9 h LYS 24 CO 0.07 0.80 0.00 0.43 -3.45 0.00 0.00 179.45 177.30 2fe9 n SER 25 N -4.32 0.00 -0.25 4.20 7.64 -1.01 -1.73 113.62 118.15 2fe9 n SER 25 Ca 0.06 0.39 0.03 0.00 1.01 0.00 0.00 58.87 60.36 2fe9 n SER 25 Cb 0.15 -0.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.66 0.00 -3.43 4.77 0.37 -4.50 117.00 114.41 2fe9 n LEU 26 Ca 0.05 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2fe9 n LEU 26 Cb 0.19 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2fe9 n LEU 26 CO 0.16 0.36 0.00 0.54 -1.33 0.00 0.00 177.39 177.12 2fe9 n ARG 27 N 0.29 -0.76 -0.80 3.23 5.12 0.20 -4.42 116.66 119.51 2fe9 n ARG 27 Ca 0.04 0.19 -0.01 0.00 -1.93 0.00 0.00 57.85 56.14 2fe9 n ARG 27 Cb 0.18 -4.16 0.28 0.00 -1.16 0.00 0.00 32.46 27.60 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 5.18 0.12 0.55 4.77 1.00 -4.23 117.00 124.38 2fe9 n LEU 28 Ca 0.00 -2.67 0.08 0.00 -0.03 0.00 0.00 56.01 53.40 2fe9 n LEU 28 Cb 0.19 -0.69 0.44 0.00 -2.33 0.00 0.00 43.42 41.03 2fe9 n LEU 28 CO 0.00 0.66 0.75 0.00 -1.33 0.00 0.00 177.39 177.47 2fe9 n HIS 29 N 0.14 0.54 -0.32 -1.77 1.44 -1.11 -0.37 115.22 113.77 2fe9 n HIS 29 Ca 0.30 0.28 0.01 0.00 -2.01 0.00 0.00 57.72 56.30 2fe9 n HIS 29 Cb 1.14 -0.95 0.15 0.00 0.12 0.00 0.00 29.99 30.44 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 1.00 -0.71 -1.40 2.10 -1.90 -0.52 116.57 115.14 2fe9 h LYS 30 Ca 0.00 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 2fe9 h LYS 30 Cb 0.00 -0.23 -0.07 0.00 -0.90 0.00 0.00 32.23 31.03 2fe9 h LYS 30 CO 0.00 0.66 0.16 0.66 -2.00 0.00 0.00 179.45 178.93 2fe9 n TYR 31 N -4.58 2.17 -0.12 0.07 4.01 0.51 -4.48 117.16 114.74 2fe9 n TYR 31 Ca 0.13 -0.95 -0.09 0.00 -0.16 0.00 0.00 57.90 56.84 2fe9 n TYR 31 Cb 0.17 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 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 2.99 0.45 -0.91 7.72 0.02 -1.04 0.36 113.55 123.14 2fe9 h SER 32 Ca 0.15 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2fe9 h SER 32 Cb 2.10 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 64.47 2fe9 h SER 32 CO 0.60 0.37 0.58 -0.78 -1.14 0.00 0.00 176.83 176.46 2fe9 h ASP 33 N 0.49 0.94 1.36 3.07 3.58 -1.78 1.61 116.42 125.68 2fe9 h ASP 33 Ca 0.13 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 2fe9 h ASP 33 Cb 0.00 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2fe9 h ASP 33 CO -0.03 0.62 -0.49 0.00 -2.88 0.00 0.00 179.24 176.47 2fe9 h ALA 34 N 1.40 0.72 -0.01 -0.78 0.00 -1.73 -3.31 119.26 115.56 2fe9 h ALA 34 Ca 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fe9 h ALA 34 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fe9 h ALA 34 CO -0.15 0.61 -0.48 1.28 0.00 0.00 0.00 179.25 180.51 2fe9 n LEU 35 N -3.28 1.17 -0.05 0.00 4.32 0.12 -4.54 117.00 114.74 2fe9 n LEU 35 Ca 0.02 -0.65 -0.12 0.00 -0.02 0.00 0.00 56.01 55.24 2fe9 n LEU 35 Cb 0.70 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.43 2fe9 n LEU 35 CO 0.40 0.24 0.67 -1.28 -1.22 0.00 0.00 177.39 176.20 2fe9 h SER 36 N 0.93 0.32 0.00 -1.43 0.87 0.22 -2.64 113.55 111.83 2fe9 h SER 36 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2fe9 h SER 36 Cb 0.44 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2fe9 h SER 36 CO 0.00 0.66 0.22 1.23 -0.53 0.00 0.00 176.83 178.41 2fe9 h GLY 37 N -0.02 0.00 -6.22 5.77 0.00 -1.80 -3.38 103.07 97.43 2fe9 h GLY 37 Ca 0.03 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.71 2fe9 h GLY 37 CO 0.02 0.00 -0.73 -1.59 0.00 0.00 0.00 176.54 174.24 2fe9 s THR 38 N -3.43 3.35 1.24 4.70 2.01 -0.99 -5.12 115.64 117.39 2fe9 s THR 38 Ca -0.02 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 2fe9 s THR 38 Cb 0.05 -2.47 0.31 0.00 0.01 0.00 0.00 72.50 70.40 2fe9 s THR 38 CO 0.15 0.47 0.97 -0.81 -0.69 0.00 0.00 174.62 174.71 2fe9 n PRO 39 N 4.13 -3.58 -0.03 4.92 -0.04 -1.26 -4.65 135.00 134.49 2fe9 n PRO 39 Ca -0.18 -1.57 -0.14 0.00 -0.04 0.00 0.00 63.50 61.57 2fe9 n PRO 39 Cb 0.52 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.16 -0.57 0.54 5.08 -1.94 0.44 115.95 116.71 2fe9 h TRP 40 Ca -0.38 -0.06 0.16 0.00 1.08 0.00 0.00 58.89 59.69 2fe9 h TRP 40 Cb 1.21 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 2fe9 h TRP 40 CO 0.00 0.70 0.60 0.97 -1.28 0.00 0.00 178.44 179.43 2fe9 h ILE 41 N -0.42 0.32 0.01 0.12 6.09 -1.91 0.64 117.51 122.35 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 0.70 0.53 -0.07 0.00 0.47 0.00 0.00 36.82 38.45 2fe9 h ILE 41 CO 0.02 0.00 -2.36 -0.62 -3.07 0.00 0.00 178.15 172.12 2fe9 n GLU 42 N -3.68 0.67 0.44 2.19 1.02 -1.16 -4.05 120.64 116.07 2fe9 n GLU 42 Ca 0.11 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.15 2fe9 n GLU 42 Cb 0.81 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.00 0.00 -4.62 7.12 0.32 0.48 115.31 117.61 2fe9 h LEU 43 Ca -0.54 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.51 2fe9 h LEU 43 Cb 2.08 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 42.48 2fe9 h LEU 43 CO -0.01 -0.69 0.08 2.30 -0.13 0.00 0.00 178.44 179.99 2fe9 n ILE 44 N -5.58 1.43 0.29 4.05 -5.35 0.19 -0.16 119.36 114.24 2fe9 n ILE 44 Ca -0.15 0.43 0.06 0.00 -0.27 0.00 0.00 62.75 62.83 2fe9 n ILE 44 Cb 0.45 -1.43 -0.09 0.00 -1.74 0.00 0.00 39.64 36.83 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 -1.35 0.00 -0.11 4.28 4.02 -0.48 -4.47 117.16 119.05 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 0.08 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 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 -1.64 0.00 -3.84 7.72 4.77 0.78 -5.07 117.00 119.71 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 0.28 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2fe9 n LEU 46 CO 0.27 -1.39 0.26 -1.81 -1.33 0.00 0.00 177.39 173.40 2fe9 s ASP 47 N -1.89 -0.20 0.31 -1.43 1.01 -1.26 -4.98 116.67 108.23 2fe9 s ASP 47 Ca 0.00 -0.64 0.05 0.00 0.71 0.00 0.00 52.55 52.67 2fe9 s ASP 47 Cb -0.00 0.60 0.83 0.00 1.01 0.00 0.00 42.92 45.35 2fe9 s ASP 47 CO 0.00 -1.11 1.63 -0.78 0.21 0.00 0.00 175.17 175.12 2fe9 h ASP 48 N 2.20 0.04 0.41 0.27 1.82 -1.94 -0.29 116.42 118.93 2fe9 h ASP 48 Ca -0.27 0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 2fe9 h ASP 48 Cb 1.25 0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.54 2fe9 h ASP 48 CO 0.35 -0.21 -0.26 -0.08 -1.61 0.00 0.00 179.24 177.44 2fe9 h GLU 49 N 0.18 -0.60 -0.50 0.28 4.81 -1.96 -2.18 114.58 114.62 2fe9 h GLU 49 Ca 0.61 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.98 2fe9 h GLU 49 Cb 1.31 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.72 2fe9 h GLU 49 CO -0.70 -0.40 -0.28 1.15 -0.73 0.00 0.00 179.01 178.05 2fe9 h THR 50 N -0.62 0.26 -0.97 0.32 2.02 -1.50 0.18 112.91 112.59 2fe9 h THR 50 Ca -0.05 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.34 2fe9 h THR 50 Cb 0.50 0.26 -0.12 0.00 -1.74 0.00 0.00 68.15 67.05 2fe9 h THR 50 CO 0.05 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.42 2fe9 h LEU 51 N -0.16 0.63 -0.20 2.58 4.07 -1.19 0.32 115.31 121.35 2fe9 h LEU 51 Ca 0.22 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.33 2fe9 h LEU 51 Cb 0.52 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2fe9 h LEU 51 CO -0.59 0.14 0.06 -0.08 -1.08 0.00 0.00 178.44 176.89 2fe9 h GLU 52 N 0.60 0.15 -0.78 1.13 4.81 0.02 0.25 114.58 120.76 2fe9 h GLU 52 Ca 0.60 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.93 2fe9 h GLU 52 Cb 1.06 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 2fe9 h GLU 52 CO -0.45 0.10 0.51 0.87 -0.73 0.00 0.00 179.01 179.31 2fe9 h LYS 53 N 0.16 0.63 0.16 1.92 6.56 0.17 -2.53 116.57 123.64 2fe9 h LYS 53 Ca 0.09 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2fe9 h LYS 53 Cb 0.06 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 2fe9 h LYS 53 CO -0.10 0.42 -0.08 0.87 -2.06 0.00 0.00 179.45 178.50 2fe9 h LYS 54 N 0.65 -0.21 0.00 3.15 1.79 -0.28 -3.47 116.57 118.20 2fe9 h LYS 54 Ca 0.37 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2fe9 h LYS 54 Cb 0.54 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2fe9 h LYS 54 CO -0.14 0.17 0.00 0.41 -1.08 0.00 0.00 179.45 178.81 2fe9 n GLY 55 N 0.03 0.00 3.57 3.86 0.00 -0.39 -4.73 105.19 107.53 2fe9 n GLY 55 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 3.52 -0.52 1.61 1.01 0.75 -4.68 120.40 122.08 2fe9 s VAL 56 Ca 0.00 -0.72 0.24 0.00 0.00 0.00 0.00 61.98 61.50 2fe9 s VAL 56 Cb 0.00 -4.36 0.08 0.00 0.00 0.00 0.00 36.38 32.10 2fe9 s VAL 56 CO 0.00 -0.99 1.31 -0.07 0.00 0.00 0.00 175.10 175.35 2fe9 h LEU 57 N 17.71 0.00 -8.74 3.92 4.07 -1.80 -2.97 115.31 127.50 2fe9 h LEU 57 Ca 0.17 -0.12 -0.56 0.00 0.08 0.00 0.00 57.88 57.45 2fe9 h LEU 57 Cb 0.96 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.66 2fe9 h LEU 57 CO 1.22 0.06 1.21 0.00 -1.08 0.00 0.00 178.44 179.85 2fe9 s ALA 58 N -3.22 2.79 0.55 1.53 0.00 -1.26 -4.82 121.76 117.32 2fe9 s ALA 58 Ca 0.05 -0.14 0.32 0.00 0.00 0.00 0.00 51.96 52.19 2fe9 s ALA 58 Cb 0.11 -4.06 1.49 0.00 0.00 0.00 0.00 23.12 20.66 2fe9 s ALA 58 CO 0.72 -2.83 1.87 -0.07 0.00 0.00 0.00 175.76 175.46 2fe9 h LEU 59 N 13.67 0.00 -0.05 0.00 -0.00 -1.99 0.50 115.31 127.44 2fe9 h LEU 59 Ca -0.30 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.35 2fe9 h LEU 59 Cb 1.14 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2fe9 h LEU 59 CO 1.10 0.00 -0.88 1.23 -0.00 0.00 0.00 178.44 179.89 2fe9 h GLY 60 N 0.00 0.77 0.33 0.83 0.00 -1.98 -3.07 103.07 99.95 2fe9 h GLY 60 Ca 0.43 -1.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 2fe9 h GLY 60 CO -0.00 1.10 -0.08 0.00 0.00 0.00 0.00 176.54 177.56 2fe9 h ALA 61 N 0.44 -0.22 0.71 3.60 0.00 -0.51 -3.06 119.26 120.23 2fe9 h ALA 61 Ca -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2fe9 h ALA 61 Cb 1.54 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2fe9 h ALA 61 CO 0.18 -0.28 -0.34 0.07 0.00 0.00 0.00 179.25 178.87 2fe9 h ARG 62 N -0.89 -0.93 -0.32 0.00 0.11 -1.06 -1.60 114.38 109.69 2fe9 h ARG 62 Ca -0.02 0.06 0.09 0.00 0.10 0.00 0.00 59.98 60.21 2fe9 h ARG 62 Cb 0.51 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2fe9 h ARG 62 CO 0.04 -0.62 0.64 0.00 0.10 0.00 0.00 179.97 180.13 2fe9 h ARG 63 N -1.12 0.00 0.02 0.08 3.08 -1.72 0.35 114.38 115.06 2fe9 h ARG 63 Ca -0.10 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2fe9 h ARG 63 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.79 2fe9 h ARG 63 CO 0.16 0.00 -0.40 0.87 -1.07 0.00 0.00 179.97 179.54 2fe9 h LYS 64 N 0.00 0.24 -0.47 0.04 1.57 -1.32 -3.23 116.57 113.39 2fe9 h LYS 64 Ca 0.15 -0.28 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 2fe9 h LYS 64 Cb 1.43 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 2fe9 h LYS 64 CO -0.00 1.02 0.38 -0.07 -0.57 0.00 0.00 179.45 180.20 2fe9 h LEU 65 N -0.42 0.00 -2.12 2.94 3.38 0.65 0.25 115.31 119.99 2fe9 h LEU 65 Ca -0.05 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2fe9 h LEU 65 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2fe9 h LEU 65 CO 0.08 0.00 0.28 -0.07 0.09 0.00 0.00 178.44 178.82 2fe9 h LEU 66 N 0.00 0.00 0.09 1.67 3.38 -1.49 0.41 115.31 119.37 2fe9 h LEU 66 Ca 0.22 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.90 2fe9 h LEU 66 Cb 0.97 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.75 2fe9 h LEU 66 CO -0.00 0.00 -1.21 0.50 0.09 0.00 0.00 178.44 177.81 2fe9 h LYS 67 N 0.00 0.59 0.00 1.13 3.64 -0.66 -3.10 116.57 118.17 2fe9 h LYS 67 Ca 0.14 -0.78 -0.03 0.00 -1.27 0.00 0.00 60.65 58.71 2fe9 h LYS 67 Cb 0.70 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2fe9 h LYS 67 CO -0.00 1.35 -0.12 0.00 -2.27 0.00 0.00 179.45 178.40 2fe9 h ALA 68 N 0.35 1.05 -0.20 5.00 0.00 -0.49 -2.71 119.26 122.26 2fe9 h ALA 68 Ca -0.17 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2fe9 h ALA 68 Cb 1.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2fe9 h ALA 68 CO 0.23 0.15 -0.43 0.74 0.00 0.00 0.00 179.25 179.94 2fe9 h PHE 69 N 0.00 0.83 -0.07 0.00 0.04 -0.32 -3.07 116.94 114.35 2fe9 h PHE 69 Ca -0.00 -0.30 -0.13 0.00 2.80 0.00 0.00 57.97 60.33 2fe9 h PHE 69 Cb 0.58 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.58 2fe9 h PHE 69 CO 0.00 1.07 -0.48 0.78 -0.60 0.00 0.00 178.31 179.08 2fe9 h GLY 70 N 0.35 0.49 0.57 -1.45 0.00 -1.45 -2.36 103.07 99.21 2fe9 h GLY 70 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 47.33 46.73 2fe9 h GLY 70 CO 0.10 0.65 0.58 -2.22 0.00 0.00 0.00 176.54 175.64 2fe9 h ILE 71 N -0.02 0.88 -0.08 2.60 2.04 -1.59 -0.40 117.51 120.94 2fe9 h ILE 71 Ca -0.04 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2fe9 h ILE 71 Cb 1.15 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2fe9 h ILE 71 CO 0.10 0.14 -0.15 0.58 0.00 0.00 0.00 178.15 178.83 2fe9 h VAL 72 N 0.79 1.40 -0.10 1.67 2.07 -1.55 -3.11 116.25 117.43 2fe9 h VAL 72 Ca 0.45 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.59 2fe9 h VAL 72 Cb 0.60 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2fe9 h VAL 72 CO -0.21 0.40 -0.29 0.40 0.02 0.00 0.00 177.57 177.89 2fe9 h ILE 73 N -0.22 0.34 -0.16 4.57 2.04 -0.74 0.11 117.51 123.45 2fe9 h ILE 73 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2fe9 h ILE 73 Cb 0.72 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2fe9 h ILE 73 CO 0.03 0.00 -0.34 -0.78 0.00 0.00 0.00 178.15 177.06 2fe9 h ASP 74 N -0.38 -1.07 -0.17 1.72 3.58 -1.19 1.12 116.42 120.03 2fe9 h ASP 74 Ca 0.09 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 2fe9 h ASP 74 Cb 0.52 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2fe9 h ASP 74 CO -0.31 -0.37 0.09 1.88 -2.88 0.00 0.00 179.24 177.65 2fe9 h TYR 75 N -0.40 0.26 -0.26 0.28 -1.99 -1.42 0.66 116.97 114.11 2fe9 h TYR 75 Ca 0.10 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.71 2fe9 h TYR 75 Cb 0.56 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 2fe9 h TYR 75 CO -0.44 0.20 -0.35 -0.22 -0.00 0.00 0.00 178.16 177.36 2fe9 h LYS 76 N 0.28 0.57 0.00 4.88 3.11 0.14 0.38 116.57 125.92 2fe9 h LYS 76 Ca 0.07 -0.26 -0.08 0.00 -2.81 0.00 0.00 60.65 57.57 2fe9 h LYS 76 Cb 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2fe9 h LYS 76 CO -0.01 0.84 -0.37 0.93 -2.81 0.00 0.00 179.45 178.03 2fe9 h GLU 77 N 0.48 0.00 -0.61 1.90 5.08 0.39 -3.15 114.58 118.66 2fe9 h GLU 77 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2fe9 h GLU 77 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2fe9 h GLU 77 CO 0.07 0.37 0.00 0.54 -1.00 0.00 0.00 179.01 178.99 2fe9 n ARG 78 N -3.30 2.87 -1.89 2.33 1.74 0.20 -4.90 116.66 113.72 2fe9 n ARG 78 Ca 0.01 -2.19 -0.21 0.00 -0.77 0.00 0.00 57.85 54.69 2fe9 n ARG 78 Cb 0.61 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.97 -5.59 0.17 0.55 2.03 -1.05 -4.83 116.55 108.80 2fe9 n ASP 79 Ca 0.20 0.32 0.11 0.00 0.52 0.00 0.00 54.79 55.94 2fe9 n ASP 79 Cb 0.64 -4.83 0.09 0.00 -0.72 0.00 0.00 41.12 36.30 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 -9.39 -2.67 4.07 -0.50 -3.45 115.31 103.37 2fe9 h LEU 80 Ca -0.45 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 56.89 2fe9 h LEU 80 Cb 1.35 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.99 2fe9 h LEU 80 CO 0.60 0.04 -0.49 -0.63 -1.08 0.00 0.00 178.44 176.89 2fe9 s ILE 81 N -3.25 5.44 0.25 1.22 1.01 -1.06 -4.97 121.20 119.85 2fe9 s ILE 81 Ca 0.04 0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 2fe9 s ILE 81 Cb 0.07 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 2fe9 s ILE 81 CO 0.72 0.50 1.65 -0.67 0.00 0.00 0.00 174.94 177.14 2fe9 n ASP 82 N 3.00 3.89 0.09 3.58 2.03 -1.26 -4.83 116.55 123.05 2fe9 n ASP 82 Ca -0.17 1.11 0.07 0.00 0.52 0.00 0.00 54.79 56.31 2fe9 n ASP 82 Cb 0.53 -1.58 0.34 0.00 -0.72 0.00 0.00 41.12 39.69 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 2.96 0.08 -0.04 -0.67 5.12 -1.26 -1.32 116.66 121.53 2fe9 n ARG 83 Ca 0.12 0.54 -0.04 0.00 -1.93 0.00 0.00 57.85 56.54 2fe9 n ARG 83 Cb 0.36 -1.75 0.19 0.00 -1.16 0.00 0.00 32.46 30.10 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 0.61 -0.87 0.55 0.87 -2.02 -2.66 113.55 110.04 2fe9 h SER 84 Ca 0.00 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2fe9 h SER 84 Cb 0.06 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 2fe9 h SER 84 CO 0.00 0.76 0.57 0.00 -0.53 0.00 0.00 176.83 177.63 2fe9 h ALA 85 N 1.30 1.12 0.00 6.23 0.00 -1.54 -3.51 119.26 122.87 2fe9 h ALA 85 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fe9 h ALA 85 Cb 0.54 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fe9 h ALA 85 CO 0.03 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.42