#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fa8 s THR 4 N 0.00 2.34 0.11 6.31 2.01 -1.26 -4.98 115.64 120.16 2fa8 s THR 4 Ca 0.00 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 2fa8 s THR 4 Cb 0.00 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 2fa8 s THR 4 CO 0.00 0.04 0.64 -0.54 -0.69 0.00 0.00 174.62 174.07 2fa8 s LYS 5 N -0.12 4.33 0.41 4.92 -0.14 -1.26 -5.03 119.74 122.84 2fa8 s LYS 5 Ca 0.64 0.88 -0.25 0.00 -1.36 0.00 0.00 55.97 55.88 2fa8 s LYS 5 Cb -0.45 -3.24 -0.11 0.00 -1.68 0.00 0.00 37.83 32.35 2fa8 s LYS 5 CO 0.43 0.61 1.12 -2.30 -0.76 0.00 0.00 175.35 174.46 2fa8 n PRO 6 N 1.66 1.61 -3.93 -1.68 -0.02 -1.26 -4.10 135.00 127.28 2fa8 n PRO 6 Ca -0.09 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 2fa8 n PRO 6 Cb 0.50 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2fa8 n PRO 6 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2fa8 s ARG 7 N -2.05 3.93 -0.10 -0.52 0.52 -1.26 0.09 118.95 119.56 2fa8 s ARG 7 Ca 0.62 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2fa8 s ARG 7 Cb -0.55 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 2fa8 s ARG 7 CO 0.58 0.17 -0.04 0.42 0.02 0.00 0.00 175.30 176.44 2fa8 s ILE 8 N 0.68 3.93 -0.05 1.52 1.01 0.04 0.12 121.20 128.44 2fa8 s ILE 8 Ca 0.04 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2fa8 s ILE 8 Cb -0.13 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2fa8 s ILE 8 CO 0.02 0.57 -0.17 0.00 0.00 0.00 0.00 174.94 175.36 2fa8 s ALA 9 N -0.53 1.55 -0.32 9.38 0.00 -0.46 -0.38 121.76 131.01 2fa8 s ALA 9 Ca 0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2fa8 s ALA 9 Cb -0.12 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.51 2fa8 s ALA 9 CO 0.02 0.24 0.02 0.42 0.00 0.00 0.00 175.76 176.47 2fa8 s ILE 10 N 0.21 2.89 -0.16 0.00 1.01 0.17 -1.62 121.20 123.69 2fa8 s ILE 10 Ca -0.08 -1.60 -0.15 0.00 0.00 0.00 0.00 60.65 58.82 2fa8 s ILE 10 Cb -0.13 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2fa8 s ILE 10 CO 0.03 -0.23 0.37 -0.13 0.00 0.00 0.00 174.94 174.98 2fa8 s ARG 11 N 1.19 4.25 0.00 2.79 0.52 -0.32 -0.58 118.95 126.81 2fa8 s ARG 11 Ca -0.02 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 2fa8 s ARG 11 Cb -0.20 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 2fa8 s ARG 11 CO -0.03 0.13 0.01 1.52 0.02 0.00 0.00 175.30 176.95 2fa8 s TYR 12 N 0.78 0.10 -0.18 -0.53 -0.85 -0.91 -1.13 117.35 114.64 2fa8 s TYR 12 Ca 0.19 -0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.25 2fa8 s TYR 12 Cb -0.14 -0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 2fa8 s TYR 12 CO 0.07 -0.11 1.59 0.00 -1.52 0.00 0.00 175.55 175.58 2fa8 h THR 14 N 5.96 1.17 -0.03 0.00 2.02 -1.74 -3.09 112.91 117.20 2fa8 h THR 14 Ca -0.34 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2fa8 h THR 14 Cb 1.15 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2fa8 h THR 14 CO 0.99 0.18 -0.22 1.56 0.37 0.00 0.00 175.52 178.39 2fa8 h GLN 15 N 0.49 0.04 0.00 6.66 1.08 -1.91 -2.73 115.11 118.75 2fa8 h GLN 15 Ca 0.13 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2fa8 h GLN 15 Cb 0.11 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2fa8 h GLN 15 CO -0.02 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.13 2fa8 n ASN 17 N -0.82 -3.43 -0.92 0.00 3.02 -1.03 -4.92 115.26 107.15 2fa8 n ASN 17 Ca 0.14 -0.77 0.09 0.00 -0.03 0.00 0.00 54.58 54.00 2fa8 n ASN 17 Cb 0.06 -4.07 0.24 0.00 -0.61 0.00 0.00 39.78 35.40 2fa8 n ASN 17 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2fa8 n TRP 18 N -4.54 0.63 -0.14 3.10 8.01 -1.18 -4.34 117.44 118.98 2fa8 n TRP 18 Ca -0.10 -0.31 -0.08 0.00 -1.31 0.00 0.00 57.50 55.69 2fa8 n TRP 18 Cb 0.59 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.89 2fa8 n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2fa8 h LEU 19 N 3.03 0.52 -0.08 -0.99 5.85 -1.87 -1.82 115.31 119.95 2fa8 h LEU 19 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2fa8 h LEU 19 Cb 0.69 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2fa8 h LEU 19 CO 0.00 0.47 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.34 2fa8 h LEU 20 N 0.53 -0.48 -1.01 2.25 4.07 -2.00 0.70 115.31 119.38 2fa8 h LEU 20 Ca 0.14 0.08 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 2fa8 h LEU 20 Cb 0.07 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 2fa8 h LEU 20 CO -0.02 -0.21 -0.18 0.08 -1.08 0.00 0.00 178.44 177.03 2fa8 h ARG 21 N -0.22 0.51 -0.12 1.13 0.11 -1.85 -1.39 114.38 112.54 2fa8 h ARG 21 Ca 0.08 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 2fa8 h ARG 21 Cb 0.33 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 2fa8 h ARG 21 CO -0.21 0.67 0.02 0.00 0.10 0.00 0.00 179.97 180.55 2fa8 h ALA 22 N 1.35 0.16 -0.66 0.08 0.00 -0.89 -3.08 119.26 116.24 2fa8 h ALA 22 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2fa8 h ALA 22 Cb 0.57 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2fa8 h ALA 22 CO 0.04 -0.19 0.36 0.78 0.00 0.00 0.00 179.25 180.24 2fa8 h GLY 23 N -0.02 0.96 -1.07 0.00 0.00 -0.80 -0.85 103.07 101.29 2fa8 h GLY 23 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2fa8 h GLY 23 CO 0.00 0.15 0.00 1.87 0.00 0.00 0.00 176.54 178.56 2fa8 n TRP 24 N -4.80 0.00 0.00 5.60 -0.00 -0.53 -1.60 117.44 116.11 2fa8 n TRP 24 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 2fa8 n TRP 24 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.48 2fa8 n TRP 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2fa8 n ALA 26 N 0.52 0.00 0.01 5.87 0.00 -0.33 -0.68 120.51 125.90 2fa8 n ALA 26 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2fa8 n ALA 26 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2fa8 n ALA 26 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2fa8 h GLN 27 N 0.00 0.07 -0.75 0.00 5.75 -1.57 -1.48 115.11 117.14 2fa8 h GLN 27 Ca 0.00 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2fa8 h GLN 27 Cb 0.00 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 2fa8 h GLN 27 CO 0.00 0.16 0.44 0.93 -2.65 0.00 0.00 178.83 177.71 2fa8 h GLU 28 N -0.03 0.77 -0.05 1.69 4.39 -1.18 0.19 114.58 120.36 2fa8 h GLU 28 Ca 0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2fa8 h GLU 28 Cb 0.11 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2fa8 h GLU 28 CO -0.00 0.51 0.02 0.82 -1.16 0.00 0.00 179.01 179.20 2fa8 h ILE 29 N 0.79 1.15 0.00 3.13 2.04 -1.79 -2.29 117.51 120.55 2fa8 h ILE 29 Ca 0.34 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2fa8 h ILE 29 Cb 0.21 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2fa8 h ILE 29 CO -0.19 0.13 -0.46 -0.07 0.00 0.00 0.00 178.15 177.56 2fa8 h LEU 30 N -0.09 0.00 -0.63 1.44 3.38 -0.97 0.16 115.31 118.59 2fa8 h LEU 30 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2fa8 h LEU 30 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2fa8 h LEU 30 CO -0.00 0.46 -0.46 -0.61 0.09 0.00 0.00 178.44 177.92 2fa8 h GLN 31 N 0.00 0.54 0.17 1.13 5.75 -0.92 -2.04 115.11 119.74 2fa8 h GLN 31 Ca -0.00 -0.30 -0.31 0.00 -0.15 0.00 0.00 58.65 57.89 2fa8 h GLN 31 Cb 0.92 0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.49 2fa8 h GLN 31 CO 0.06 0.89 -1.55 1.15 -2.65 0.00 0.00 178.83 176.73 2fa8 h THR 32 N 0.43 1.04 -0.21 2.39 2.02 -1.20 -3.39 112.91 113.99 2fa8 h THR 32 Ca 0.03 -2.49 -0.09 0.00 0.77 0.00 0.00 66.41 64.62 2fa8 h THR 32 Cb 0.97 2.80 -0.05 0.00 -1.74 0.00 0.00 68.15 70.13 2fa8 h THR 32 CO 0.09 0.79 -0.18 0.49 0.37 0.00 0.00 175.52 177.08 2fa8 n PHE 33 N -3.76 0.65 -0.38 3.16 3.72 0.53 -4.82 117.46 116.57 2fa8 n PHE 33 Ca -0.23 -1.44 0.01 0.00 -0.05 0.00 0.00 57.45 55.74 2fa8 n PHE 33 Cb 1.00 -0.37 0.08 0.00 -0.94 0.00 0.00 39.48 39.25 2fa8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fa8 h ALA 34 N 0.98 0.33 -0.40 4.37 0.00 -1.54 -0.07 119.26 122.94 2fa8 h ALA 34 Ca 0.11 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2fa8 h ALA 34 Cb 1.38 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 2fa8 h ALA 34 CO 0.22 -0.54 0.09 0.77 0.00 0.00 0.00 179.25 179.79 2fa8 h SER 35 N -0.00 0.61 0.53 0.00 0.02 -1.87 -3.30 113.55 109.53 2fa8 h SER 35 Ca 0.39 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2fa8 h SER 35 Cb 0.64 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2fa8 h SER 35 CO -1.00 0.69 -0.43 0.47 -1.14 0.00 0.00 176.83 175.41 2fa8 n ASP 36 N -4.56 0.48 -4.56 3.07 10.43 -0.07 -4.88 116.55 116.46 2fa8 n ASP 36 Ca -0.00 -0.21 -0.30 0.00 2.57 0.00 0.00 54.79 56.84 2fa8 n ASP 36 Cb 0.21 0.17 -0.10 0.00 1.84 0.00 0.00 41.12 43.23 2fa8 n ASP 36 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2fa8 s ILE 37 N -2.97 3.30 0.00 0.53 -5.25 -1.03 -4.24 121.20 111.55 2fa8 s ILE 37 Ca 0.12 -1.25 -0.15 0.00 -0.99 0.00 0.00 60.65 58.38 2fa8 s ILE 37 Cb 0.18 -2.53 -0.34 0.00 2.95 0.00 0.00 42.46 42.72 2fa8 s ILE 37 CO 0.67 0.14 0.91 1.23 -1.79 0.00 0.00 174.94 176.10 2fa8 h GLY 38 N 3.74 0.56 -3.42 6.27 0.00 -0.50 -3.47 103.07 106.26 2fa8 h GLY 38 Ca -0.49 -1.43 0.08 0.00 0.00 0.00 0.00 47.33 45.49 2fa8 h GLY 38 CO 0.51 1.26 0.45 -1.83 0.00 0.00 0.00 176.54 176.93 2fa8 s GLU 39 N -2.58 0.87 -0.15 4.80 -1.05 -1.22 -5.03 118.70 114.34 2fa8 s GLU 39 Ca -0.11 -0.27 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 2fa8 s GLU 39 Cb 0.04 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2fa8 s GLU 39 CO 0.92 -0.37 -0.19 0.08 0.95 0.00 0.00 175.26 176.64 2fa8 s VAL 40 N -2.97 1.91 -0.16 1.83 1.01 -1.26 -0.78 120.40 119.98 2fa8 s VAL 40 Ca 0.03 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2fa8 s VAL 40 Cb -0.01 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2fa8 s VAL 40 CO -0.08 0.52 0.02 -0.44 0.00 0.00 0.00 175.10 175.12 2fa8 s SER 41 N 1.13 5.32 -0.26 3.32 0.01 0.49 -5.00 113.70 118.72 2fa8 s SER 41 Ca -0.00 0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 2fa8 s SER 41 Cb -0.14 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 2fa8 s SER 41 CO -0.08 0.20 0.16 -0.76 0.41 0.00 0.00 173.24 173.17 2fa8 s LEU 42 N 0.21 3.95 -0.27 2.44 1.43 -1.26 0.43 118.68 125.61 2fa8 s LEU 42 Ca 0.02 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2fa8 s LEU 42 Cb -0.13 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2fa8 s LEU 42 CO 0.01 -0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 175.89 2fa8 s ILE 43 N 1.50 1.99 0.22 -0.59 1.01 0.25 -4.97 121.20 120.61 2fa8 s ILE 43 Ca 0.07 -1.63 -0.31 0.00 0.00 0.00 0.00 60.65 58.78 2fa8 s ILE 43 Cb -0.15 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.02 2fa8 s ILE 43 CO 0.08 -0.15 1.53 -2.84 0.00 0.00 0.00 174.94 173.57 2fa8 s PRO 44 N 1.16 4.21 0.29 2.79 0.02 -1.26 -2.13 135.00 140.08 2fa8 s PRO 44 Ca -0.05 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.39 2fa8 s PRO 44 Cb -0.19 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 2fa8 s PRO 44 CO -0.06 -0.55 0.15 -1.12 -0.33 0.00 0.00 177.00 175.09 2fa8 s SER 45 N 0.77 1.44 0.31 2.53 0.01 0.15 -4.84 113.70 114.07 2fa8 s SER 45 Ca 0.65 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2fa8 s SER 45 Cb -0.44 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2fa8 s SER 45 CO 0.38 -0.87 0.00 0.35 0.41 0.00 0.00 173.24 173.51 2fa8 n THR 46 N -0.56 0.00 -1.00 1.44 -2.24 -1.26 -2.31 114.28 108.35 2fa8 n THR 46 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2fa8 n THR 46 Cb 0.65 -1.47 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 2fa8 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fa8 n GLY 47 N 5.00 0.01 3.16 3.38 0.00 -1.26 -2.50 105.19 112.98 2fa8 n GLY 47 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2fa8 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fa8 n GLY 48 N 3.83 0.01 3.73 -0.02 0.00 -1.26 -4.94 105.19 106.54 2fa8 n GLY 48 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2fa8 n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fa8 s LEU 49 N 0.00 4.47 -0.20 0.99 2.96 -1.04 -4.89 118.68 120.97 2fa8 s LEU 49 Ca 0.00 1.97 -0.04 0.00 -0.22 0.00 0.00 54.13 55.84 2fa8 s LEU 49 Cb 0.00 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.19 2fa8 s LEU 49 CO 0.00 -0.20 0.24 0.12 -1.32 0.00 0.00 176.35 175.19 2fa8 s PHE 50 N 0.03 -0.35 -0.08 5.38 5.36 -1.25 -0.37 117.98 126.71 2fa8 s PHE 50 Ca 0.50 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.75 2fa8 s PHE 50 Cb -0.27 -0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.14 2fa8 s PHE 50 CO 0.32 -0.61 0.18 -2.00 -1.46 0.00 0.00 175.22 171.66 2fa8 s GLU 51 N 2.36 0.15 -0.12 10.12 2.12 -0.28 -1.31 118.70 131.74 2fa8 s GLU 51 Ca 0.07 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.80 2fa8 s GLU 51 Cb -0.16 -0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.13 2fa8 s GLU 51 CO -0.12 -0.13 -0.18 0.42 -0.54 0.00 0.00 175.26 174.71 2fa8 s ILE 52 N 0.93 2.63 0.05 -3.70 1.01 0.55 -1.17 121.20 121.49 2fa8 s ILE 52 Ca -0.07 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.83 2fa8 s ILE 52 Cb -0.09 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2fa8 s ILE 52 CO -0.05 0.54 -0.18 0.42 0.00 0.00 0.00 174.94 175.67 2fa8 s THR 53 N 0.37 1.45 -0.25 2.92 -4.23 -0.64 -0.41 115.64 114.84 2fa8 s THR 53 Ca -0.14 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2fa8 s THR 53 Cb -0.17 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.42 2fa8 s THR 53 CO 0.07 0.11 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.51 2fa8 s VAL 54 N -0.84 2.90 -1.20 2.29 1.01 0.96 -1.35 120.40 124.17 2fa8 s VAL 54 Ca 0.05 -1.03 -0.33 0.00 0.00 0.00 0.00 61.98 60.67 2fa8 s VAL 54 Cb -0.08 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.86 2fa8 s VAL 54 CO 0.02 0.18 0.62 0.47 0.00 0.00 0.00 175.10 176.39 2fa8 n ASP 55 N 4.67 -3.70 0.00 3.32 8.00 0.12 -0.48 116.55 128.47 2fa8 n ASP 55 Ca -0.16 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2fa8 n ASP 55 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 2fa8 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fa8 n GLY 56 N -2.11 2.43 3.66 0.44 0.00 -1.26 -4.98 105.19 103.38 2fa8 n GLY 56 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2fa8 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fa8 s THR 57 N -0.49 4.35 -0.00 2.61 2.01 0.36 -4.96 115.64 119.51 2fa8 s THR 57 Ca 0.00 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 2fa8 s THR 57 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2fa8 s THR 57 CO 0.00 -0.18 1.41 -0.63 -0.69 0.00 0.00 174.62 174.53 2fa8 s ILE 58 N 3.52 3.71 -0.16 1.82 1.01 -1.26 -0.03 121.20 129.81 2fa8 s ILE 58 Ca 0.53 1.09 0.06 0.00 0.00 0.00 0.00 60.65 62.32 2fa8 s ILE 58 Cb -0.20 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 2fa8 s ILE 58 CO 0.14 -0.01 0.20 2.30 0.00 0.00 0.00 174.94 177.57 2fa8 n ILE 59 N 4.69 0.00 -3.69 2.92 -5.35 0.45 -4.95 119.36 113.44 2fa8 n ILE 59 Ca 0.13 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 2fa8 n ILE 59 Cb 0.44 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 38.96 2fa8 n ILE 59 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2fa8 s TRP 60 N -1.92 -0.69 -0.01 4.28 -0.11 -0.96 -4.97 118.94 114.57 2fa8 s TRP 60 Ca 0.00 1.46 0.01 0.00 1.22 0.00 0.00 56.10 58.79 2fa8 s TRP 60 Cb 0.04 0.33 0.01 0.00 -1.50 0.00 0.00 33.47 32.35 2fa8 s TRP 60 CO 0.24 -0.37 -0.02 -2.00 -4.62 0.00 0.00 176.95 170.18 2fa8 s GLU 61 N 1.29 0.24 0.12 5.86 -6.30 -1.26 -0.33 118.70 118.32 2fa8 s GLU 61 Ca -0.08 -0.05 -0.23 0.00 -2.50 0.00 0.00 54.97 52.10 2fa8 s GLU 61 Cb -0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 34.13 33.73 2fa8 s GLU 61 CO -0.12 0.01 1.67 -0.09 0.02 0.00 0.00 175.26 176.75 2fa8 h ARG 62 N 6.39 -0.21 0.69 4.30 2.43 -1.36 -0.86 114.38 125.76 2fa8 h ARG 62 Ca -0.31 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 2fa8 h ARG 62 Cb 1.18 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2fa8 h ARG 62 CO 0.50 -0.14 -0.33 0.87 -1.51 0.00 0.00 179.97 179.36 2fa8 h LYS 63 N -0.22 -0.89 -0.01 0.20 1.57 -1.87 0.22 116.57 115.57 2fa8 h LYS 63 Ca 0.07 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2fa8 h LYS 63 Cb 0.32 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2fa8 h LYS 63 CO -0.20 -0.56 -0.24 0.00 -0.57 0.00 0.00 179.45 177.89 2fa8 h ARG 64 N -1.07 -0.35 -0.01 3.15 3.08 -1.96 -2.92 114.38 114.30 2fa8 h ARG 64 Ca -0.09 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2fa8 h ARG 64 Cb 0.74 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2fa8 h ARG 64 CO 0.15 -0.23 -0.06 -0.25 -1.07 0.00 0.00 179.97 178.51 2fa8 n ASP 65 N -5.36 0.96 -1.09 7.04 8.00 -0.33 -4.93 116.55 120.84 2fa8 n ASP 65 Ca -0.05 -1.14 -0.03 0.00 0.71 0.00 0.00 54.79 54.28 2fa8 n ASP 65 Cb 0.27 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 2fa8 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fa8 n GLY 66 N 1.19 0.60 0.00 0.44 0.00 -0.60 -4.84 105.19 101.98 2fa8 n GLY 66 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2fa8 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fa8 n GLY 67 N -0.82 0.32 3.16 -0.02 0.00 0.66 -5.04 105.19 103.46 2fa8 n GLY 67 Ca -0.01 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 2fa8 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fa8 s PHE 68 N -0.04 1.45 0.40 1.61 0.08 -1.26 -4.19 117.98 116.03 2fa8 s PHE 68 Ca 0.00 -0.31 -0.23 0.00 0.12 0.00 0.00 56.93 56.51 2fa8 s PHE 68 Cb 0.00 -0.90 -0.10 0.00 -0.57 0.00 0.00 43.02 41.46 2fa8 s PHE 68 CO 0.00 0.01 1.00 -1.25 -0.10 0.00 0.00 175.22 174.88 2fa8 s PRO 69 N -0.73 4.21 0.62 0.24 0.04 -1.26 -5.06 135.00 133.07 2fa8 s PRO 69 Ca 0.05 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 2fa8 s PRO 69 Cb -0.07 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2fa8 s PRO 69 CO 0.00 -0.07 1.03 0.20 0.04 0.00 0.00 177.00 178.21 2fa8 s GLY 70 N -1.80 1.72 0.37 0.56 0.00 -1.26 -4.93 107.32 101.98 2fa8 s GLY 70 Ca 0.59 -0.01 0.10 0.00 0.00 0.00 0.00 44.72 45.40 2fa8 s GLY 70 CO 0.22 0.27 1.87 -0.56 0.00 0.00 0.00 173.10 174.90 2fa8 h PRO 71 N -0.26 0.15 0.18 2.90 0.13 -1.99 -2.31 132.00 130.79 2fa8 h PRO 71 Ca -0.44 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2fa8 h PRO 71 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2fa8 h PRO 71 CO 0.61 0.39 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.47 2fa8 h LYS 72 N 0.14 -0.23 -0.25 0.86 3.64 -1.99 -1.44 116.57 117.30 2fa8 h LYS 72 Ca 0.02 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2fa8 h LYS 72 Cb 0.51 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 2fa8 h LYS 72 CO 0.04 0.03 -0.54 1.49 -2.27 0.00 0.00 179.45 178.19 2fa8 h GLU 73 N -0.47 -0.48 -0.17 1.90 4.22 -1.94 -0.77 114.58 116.88 2fa8 h GLU 73 Ca -0.02 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.50 2fa8 h GLU 73 Cb 0.36 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 2fa8 h GLU 73 CO 0.04 -0.32 -0.39 1.25 -2.18 0.00 0.00 179.01 177.41 2fa8 h LEU 74 N -0.50 -1.23 -1.12 1.64 5.85 -1.33 0.52 115.31 119.14 2fa8 h LEU 74 Ca 0.05 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2fa8 h LEU 74 Cb 0.63 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2fa8 h LEU 74 CO -0.50 -0.40 0.60 0.11 -0.34 0.00 0.00 178.44 177.91 2fa8 h LYS 75 N -0.44 1.10 0.29 1.25 1.57 -1.12 -1.88 116.57 117.34 2fa8 h LYS 75 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2fa8 h LYS 75 Cb 0.60 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2fa8 h LYS 75 CO -0.41 0.73 -0.19 0.37 -0.57 0.00 0.00 179.45 179.39 2fa8 h GLN 76 N 1.14 -0.45 -0.71 3.15 4.15 0.38 0.12 115.11 122.89 2fa8 h GLN 76 Ca 0.37 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.83 2fa8 h GLN 76 Cb 0.03 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 2fa8 h GLN 76 CO -0.11 -0.30 0.47 0.00 -1.93 0.00 0.00 178.83 176.96 2fa8 h ARG 77 N -0.46 0.89 0.11 1.69 3.08 -0.62 0.13 114.38 119.20 2fa8 h ARG 77 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2fa8 h ARG 77 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2fa8 h ARG 77 CO 0.02 0.59 -0.06 0.82 -1.07 0.00 0.00 179.97 180.28 2fa8 h ILE 78 N 0.92 1.08 -0.63 2.04 2.04 -1.26 -2.84 117.51 118.86 2fa8 h ILE 78 Ca 0.27 -0.99 0.12 0.00 1.00 0.00 0.00 64.86 65.26 2fa8 h ILE 78 Cb -0.04 1.69 -0.12 0.00 -0.74 0.00 0.00 36.82 37.61 2fa8 h ILE 78 CO -0.07 0.23 -0.20 -0.09 0.00 0.00 0.00 178.15 178.03 2fa8 h ARG 79 N -0.64 -0.04 -0.92 2.37 1.12 -0.47 0.29 114.38 116.10 2fa8 h ARG 79 Ca -0.02 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.94 2fa8 h ARG 79 Cb 0.50 0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.39 2fa8 h ARG 79 CO 0.03 -0.02 0.57 -0.44 -3.11 0.00 0.00 179.97 176.99 2fa8 h ASP 80 N -0.04 0.86 0.07 -3.80 3.32 -0.79 0.55 116.42 116.60 2fa8 h ASP 80 Ca 0.29 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 2fa8 h ASP 80 Cb 0.49 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.91 2fa8 h ASP 80 CO -0.66 0.51 -0.67 0.25 -1.72 0.00 0.00 179.24 176.95 2fa8 h LEU 81 N 0.97 0.46 0.00 1.55 5.85 -0.83 -3.36 115.31 119.95 2fa8 h LEU 81 Ca 0.42 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2fa8 h LEU 81 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2fa8 h LEU 81 CO -0.22 1.29 -1.03 2.30 -0.34 0.00 0.00 178.44 180.44 2fa8 n ILE 82 N -4.20 0.26 -1.42 4.05 -5.35 0.84 -5.11 119.36 108.42 2fa8 n ILE 82 Ca -0.12 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2fa8 n ILE 82 Cb 0.73 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2fa8 n ILE 82 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12