#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fa8 n GLU 3 N 0.00 1.98 -2.86 -0.78 1.02 -1.26 -4.98 120.64 113.77 2fa8 n GLU 3 Ca 0.00 -0.64 -0.26 0.00 -0.02 0.00 0.00 57.16 56.25 2fa8 n GLU 3 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2fa8 n GLU 3 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2fa8 s THR 4 N -1.36 4.64 0.31 2.62 -4.23 -1.26 -5.06 115.64 111.30 2fa8 s THR 4 Ca 0.09 -0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 2fa8 s THR 4 Cb 0.08 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 2fa8 s THR 4 CO 0.25 -0.63 1.33 -0.54 -0.54 0.00 0.00 174.62 174.49 2fa8 s LYS 5 N -4.63 4.34 0.34 3.99 -0.14 -1.26 -4.92 119.74 117.45 2fa8 s LYS 5 Ca 0.46 2.23 -0.28 0.00 -1.36 0.00 0.00 55.97 57.02 2fa8 s LYS 5 Cb -0.10 -3.08 -0.12 0.00 -1.68 0.00 0.00 37.83 32.85 2fa8 s LYS 5 CO 0.41 -0.24 1.33 -0.35 -0.76 0.00 0.00 175.35 175.75 2fa8 n PRO 6 N 1.14 2.22 -3.67 -1.68 -0.04 -1.26 -4.17 135.00 127.54 2fa8 n PRO 6 Ca 0.01 0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 63.88 2fa8 n PRO 6 Cb 0.41 -2.39 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 2fa8 n PRO 6 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2fa8 s ARG 7 N -1.78 3.63 -0.10 0.54 0.52 -1.26 -0.61 118.95 119.89 2fa8 s ARG 7 Ca 0.56 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 2fa8 s ARG 7 Cb -0.56 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.37 2fa8 s ARG 7 CO 0.61 -0.27 0.00 0.42 0.02 0.00 0.00 175.30 176.09 2fa8 s ILE 8 N 1.66 4.30 -0.03 1.52 1.01 0.13 -0.10 121.20 129.68 2fa8 s ILE 8 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2fa8 s ILE 8 Cb -0.16 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2fa8 s ILE 8 CO 0.07 0.58 -0.05 0.00 0.00 0.00 0.00 174.94 175.54 2fa8 s ALA 9 N -0.65 0.61 -0.30 9.38 0.00 -0.57 0.10 121.76 130.33 2fa8 s ALA 9 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2fa8 s ALA 9 Cb -0.12 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.77 2fa8 s ALA 9 CO 0.02 0.05 -0.02 0.42 0.00 0.00 0.00 175.76 176.22 2fa8 s ILE 10 N 0.52 2.31 -0.20 0.00 1.01 0.67 -1.27 121.20 124.25 2fa8 s ILE 10 Ca -0.07 -1.95 -0.18 0.00 0.00 0.00 0.00 60.65 58.46 2fa8 s ILE 10 Cb -0.10 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 2fa8 s ILE 10 CO 0.00 -0.31 0.49 -0.13 0.00 0.00 0.00 174.94 174.99 2fa8 s ARG 11 N 1.02 4.19 0.01 2.79 0.52 0.78 -0.87 118.95 127.40 2fa8 s ARG 11 Ca 0.01 0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 2fa8 s ARG 11 Cb -0.20 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.71 2fa8 s ARG 11 CO -0.06 -0.11 -0.08 1.52 0.02 0.00 0.00 175.30 176.59 2fa8 s TYR 12 N 1.52 0.70 -0.20 -0.53 -0.85 -0.88 -1.02 117.35 116.09 2fa8 s TYR 12 Ca 0.23 -0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 56.26 2fa8 s TYR 12 Cb -0.15 -0.43 -0.03 0.00 0.38 0.00 0.00 41.96 41.72 2fa8 s TYR 12 CO 0.09 -0.02 1.67 0.00 -1.52 0.00 0.00 175.55 175.77 2fa8 h THR 14 N 6.14 1.28 0.00 0.00 1.35 -1.63 -3.02 112.91 117.03 2fa8 h THR 14 Ca -0.35 -1.56 -0.03 0.00 -0.55 0.00 0.00 66.41 63.91 2fa8 h THR 14 Cb 1.16 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2fa8 h THR 14 CO 0.99 0.52 -0.15 1.56 -0.25 0.00 0.00 175.52 178.19 2fa8 h GLN 15 N 0.68 0.00 0.00 4.72 1.08 -1.91 -2.97 115.11 116.72 2fa8 h GLN 15 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2fa8 h GLN 15 Cb 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2fa8 h GLN 15 CO 0.09 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 178.12 2fa8 n ASN 17 N -0.89 -2.84 -1.06 0.00 5.03 -1.12 -4.91 115.26 109.47 2fa8 n ASN 17 Ca 0.16 -0.72 0.12 0.00 0.87 0.00 0.00 54.58 55.01 2fa8 n ASN 17 Cb 0.07 -4.44 0.22 0.00 -1.02 0.00 0.00 39.78 34.62 2fa8 n ASN 17 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2fa8 n TRP 18 N -4.43 0.39 -0.08 3.10 8.01 -1.21 -4.43 117.44 118.79 2fa8 n TRP 18 Ca -0.19 -0.20 -0.07 0.00 -1.31 0.00 0.00 57.50 55.74 2fa8 n TRP 18 Cb 0.63 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 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 4.26 0.00 -0.30 -0.99 5.85 -1.88 -1.60 115.31 120.65 2fa8 h LEU 19 Ca 0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2fa8 h LEU 19 Cb 0.93 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 2fa8 h LEU 19 CO 0.00 0.04 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.76 2fa8 h LEU 20 N 0.16 -1.00 -1.01 2.25 4.07 -2.00 -0.24 115.31 117.54 2fa8 h LEU 20 Ca 0.14 0.17 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 2fa8 h LEU 20 Cb 0.15 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2fa8 h LEU 20 CO -0.19 -0.32 -0.49 0.08 -1.08 0.00 0.00 178.44 176.43 2fa8 h ARG 21 N -0.29 0.00 -0.21 1.13 0.11 -1.82 -1.20 114.38 112.11 2fa8 h ARG 21 Ca 0.15 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.14 2fa8 h ARG 21 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 2fa8 h ARG 21 CO -0.47 0.49 -0.19 0.00 0.10 0.00 0.00 179.97 179.91 2fa8 h ALA 22 N 1.51 0.31 -0.61 0.08 0.00 -0.82 -3.20 119.26 116.52 2fa8 h ALA 22 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2fa8 h ALA 22 Cb 0.88 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2fa8 h ALA 22 CO 0.06 0.23 0.22 0.78 0.00 0.00 0.00 179.25 180.55 2fa8 h GLY 23 N 0.18 1.00 -1.02 0.00 0.00 -0.95 -0.60 103.07 101.68 2fa8 h GLY 23 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2fa8 h GLY 23 CO 0.05 0.53 0.00 1.87 0.00 0.00 0.00 176.54 178.99 2fa8 n TRP 24 N -4.43 0.00 0.00 5.60 -0.00 -0.46 -1.38 117.44 116.78 2fa8 n TRP 24 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 2fa8 n TRP 24 Cb 0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.49 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 0.45 0.00 -0.29 5.87 0.00 -0.24 -0.78 120.51 125.52 2fa8 n ALA 26 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2fa8 n ALA 26 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2fa8 n ALA 26 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2fa8 h GLN 27 N 0.00 1.12 -0.60 0.00 4.20 -1.49 -1.12 115.11 117.22 2fa8 h GLN 27 Ca 0.00 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.61 2fa8 h GLN 27 Cb 0.00 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.52 2fa8 h GLN 27 CO 0.00 0.84 0.34 0.93 -0.67 0.00 0.00 178.83 180.27 2fa8 h GLU 28 N 1.10 0.64 -0.12 1.46 4.39 -1.23 0.10 114.58 120.93 2fa8 h GLU 28 Ca 0.28 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2fa8 h GLU 28 Cb 0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2fa8 h GLU 28 CO -0.04 0.42 0.03 0.82 -1.16 0.00 0.00 179.01 179.08 2fa8 h ILE 29 N 0.66 1.19 -0.06 3.13 2.04 -1.76 -2.12 117.51 120.58 2fa8 h ILE 29 Ca 0.26 -0.57 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 2fa8 h ILE 29 Cb 0.11 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2fa8 h ILE 29 CO -0.14 0.17 -0.57 -0.07 0.00 0.00 0.00 178.15 177.53 2fa8 h LEU 30 N 0.00 0.22 -0.31 1.44 3.38 -0.99 -0.22 115.31 118.83 2fa8 h LEU 30 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2fa8 h LEU 30 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2fa8 h LEU 30 CO -0.00 0.75 0.08 -0.61 0.09 0.00 0.00 178.44 178.75 2fa8 h GLN 31 N 0.15 0.49 0.17 1.13 4.15 -0.73 0.55 115.11 121.03 2fa8 h GLN 31 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 2fa8 h GLN 31 Cb 1.05 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2fa8 h GLN 31 CO 0.09 0.56 -0.08 1.15 -1.93 0.00 0.00 178.83 178.61 2fa8 h THR 32 N 0.34 0.92 0.00 2.39 2.02 -1.15 -3.37 112.91 114.06 2fa8 h THR 32 Ca 0.10 -0.93 -0.21 0.00 0.77 0.00 0.00 66.41 66.14 2fa8 h THR 32 Cb 0.28 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2fa8 h THR 32 CO 0.00 0.20 -1.69 0.49 0.37 0.00 0.00 175.52 174.89 2fa8 n PHE 33 N -4.98 0.73 -0.18 3.16 3.72 -0.11 -5.00 117.46 114.79 2fa8 n PHE 33 Ca -0.09 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2fa8 n PHE 33 Cb 0.26 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 2fa8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fa8 n ALA 34 N -2.48 0.00 0.29 4.37 0.00 0.18 -1.64 120.51 121.25 2fa8 n ALA 34 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 2fa8 n ALA 34 Cb 0.91 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.54 2fa8 n ALA 34 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2fa8 n SER 35 N 2.72 0.00 0.03 0.00 3.41 -1.26 -1.17 113.62 117.34 2fa8 n SER 35 Ca 0.00 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 2fa8 n SER 35 Cb 0.00 -0.46 0.32 0.00 -0.26 0.00 0.00 64.21 63.81 2fa8 n SER 35 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fa8 n ASP 36 N -1.46 0.13 -4.75 4.04 8.00 -0.65 -4.62 116.55 117.24 2fa8 n ASP 36 Ca 0.02 0.54 -0.36 0.00 0.71 0.00 0.00 54.79 55.70 2fa8 n ASP 36 Cb 0.09 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 2fa8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2fa8 s ILE 37 N -3.07 4.98 -0.05 0.53 -1.09 -0.32 -4.30 121.20 117.88 2fa8 s ILE 37 Ca 0.06 0.02 -0.26 0.00 -2.23 0.00 0.00 60.65 58.23 2fa8 s ILE 37 Cb 0.09 -3.17 -0.22 0.00 -1.58 0.00 0.00 42.46 37.58 2fa8 s ILE 37 CO 0.27 0.57 1.15 1.23 -1.23 0.00 0.00 174.94 176.92 2fa8 h GLY 38 N 5.54 0.02 -3.45 6.18 0.00 -1.02 -3.47 103.07 106.87 2fa8 h GLY 38 Ca -0.49 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 46.83 2fa8 h GLY 38 CO 0.61 0.02 0.30 -1.83 0.00 0.00 0.00 176.54 175.64 2fa8 s GLU 39 N -3.76 1.06 -0.15 4.80 -1.05 -1.16 -5.02 118.70 113.43 2fa8 s GLU 39 Ca -0.17 -0.20 0.02 0.00 -0.15 0.00 0.00 54.97 54.47 2fa8 s GLU 39 Cb 0.01 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2fa8 s GLU 39 CO 0.68 -0.43 -0.20 0.08 0.95 0.00 0.00 175.26 176.35 2fa8 s VAL 40 N -2.76 1.94 -0.16 1.83 1.01 -1.26 -0.69 120.40 120.30 2fa8 s VAL 40 Ca -0.01 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2fa8 s VAL 40 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2fa8 s VAL 40 CO -0.05 0.52 0.02 -0.44 0.00 0.00 0.00 175.10 175.15 2fa8 s SER 41 N 1.05 5.26 -0.25 3.32 0.01 0.12 -4.99 113.70 118.22 2fa8 s SER 41 Ca -0.02 -0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 2fa8 s SER 41 Cb -0.14 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2fa8 s SER 41 CO -0.06 0.19 0.10 -0.76 0.41 0.00 0.00 173.24 173.11 2fa8 s LEU 42 N 0.29 3.66 -0.29 2.44 1.43 -1.26 -0.24 118.68 124.70 2fa8 s LEU 42 Ca 0.00 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2fa8 s LEU 42 Cb -0.13 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.19 2fa8 s LEU 42 CO 0.01 -0.00 0.01 -0.63 0.23 0.00 0.00 176.35 175.97 2fa8 s ILE 43 N 1.43 1.81 0.10 -0.59 1.01 -0.05 -4.97 121.20 119.93 2fa8 s ILE 43 Ca 0.06 -1.77 -0.33 0.00 0.00 0.00 0.00 60.65 58.61 2fa8 s ILE 43 Cb -0.15 -2.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.99 2fa8 s ILE 43 CO 0.05 -0.39 1.72 -2.65 0.00 0.00 0.00 174.94 173.66 2fa8 n PRO 44 N 4.50 2.35 -4.50 2.79 -0.02 -1.26 -2.06 135.00 136.79 2fa8 n PRO 44 Ca -0.04 0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 62.04 2fa8 n PRO 44 Cb 0.43 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 2fa8 n PRO 44 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2fa8 s SER 45 N 2.05 2.71 0.24 2.55 0.01 0.26 -4.86 113.70 116.65 2fa8 s SER 45 Ca 0.82 -1.67 0.06 0.00 1.31 0.00 0.00 55.95 56.48 2fa8 s SER 45 Cb -0.62 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 2fa8 s SER 45 CO 0.40 -0.93 -0.08 0.42 0.41 0.00 0.00 173.24 173.46 2fa8 s THR 46 N -3.23 1.55 -0.70 1.44 -4.23 -1.26 -1.53 115.64 107.68 2fa8 s THR 46 Ca 0.25 -2.14 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2fa8 s THR 46 Cb 0.03 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2fa8 s THR 46 CO 0.15 -0.44 0.58 0.61 -0.54 0.00 0.00 174.62 174.99 2fa8 n GLY 47 N -0.46 -0.07 2.52 3.99 0.00 -1.26 -3.66 105.19 106.25 2fa8 n GLY 47 Ca -0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.11 1.29 3.73 -0.02 0.00 -1.26 -4.96 105.19 102.86 2fa8 n GLY 48 Ca -0.16 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.84 4.47 -0.22 0.99 2.96 -1.24 -4.88 118.68 117.93 2fa8 s LEU 49 Ca 0.00 1.98 -0.04 0.00 -0.22 0.00 0.00 54.13 55.85 2fa8 s LEU 49 Cb 0.00 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.19 2fa8 s LEU 49 CO 0.00 -0.21 0.20 0.12 -1.32 0.00 0.00 176.35 175.13 2fa8 s PHE 50 N 0.05 -0.15 -0.02 5.38 5.36 -1.25 -0.59 117.98 126.76 2fa8 s PHE 50 Ca 0.50 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 2fa8 s PHE 50 Cb -0.27 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.93 2fa8 s PHE 50 CO 0.32 -0.65 -0.00 -2.00 -1.46 0.00 0.00 175.22 171.43 2fa8 s GLU 51 N 2.27 0.23 -0.16 10.12 2.12 -0.19 -1.44 118.70 131.65 2fa8 s GLU 51 Ca 0.07 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2fa8 s GLU 51 Cb -0.16 -0.37 0.01 0.00 0.26 0.00 0.00 34.13 33.87 2fa8 s GLU 51 CO -0.17 -0.09 -0.19 0.42 -0.54 0.00 0.00 175.26 174.69 2fa8 s ILE 52 N 0.75 2.25 0.17 -3.70 1.01 0.25 -0.15 121.20 121.78 2fa8 s ILE 52 Ca -0.07 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.78 2fa8 s ILE 52 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2fa8 s ILE 52 CO -0.01 0.53 -0.19 0.42 0.00 0.00 0.00 174.94 175.69 2fa8 s THR 53 N 1.02 2.68 -0.20 2.92 -4.23 -0.39 -0.45 115.64 116.99 2fa8 s THR 53 Ca -0.02 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2fa8 s THR 53 Cb -0.15 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.45 2fa8 s THR 53 CO -0.05 -0.06 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.13 2fa8 s VAL 54 N -1.55 1.86 -1.30 2.29 1.01 0.37 -1.51 120.40 121.57 2fa8 s VAL 54 Ca 0.21 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 2fa8 s VAL 54 Cb -0.09 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.53 2fa8 s VAL 54 CO 0.11 0.28 0.50 0.47 0.00 0.00 0.00 175.10 176.46 2fa8 n ASP 55 N 4.63 -3.70 0.00 3.32 8.00 0.86 -0.73 116.55 128.92 2fa8 n ASP 55 Ca -0.17 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2fa8 n ASP 55 Cb 0.47 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 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 -1.18 1.55 3.66 0.44 0.00 -1.26 -5.04 105.19 103.36 2fa8 n GLY 56 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.78 5.04 0.06 2.61 2.01 0.09 -4.99 115.64 117.68 2fa8 s THR 57 Ca 0.00 1.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.83 2fa8 s THR 57 Cb 0.00 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 2fa8 s THR 57 CO 0.00 0.13 1.62 -0.63 -0.69 0.00 0.00 174.62 175.05 2fa8 s ILE 58 N 1.81 3.12 -0.24 1.82 1.01 -1.26 -0.48 121.20 126.98 2fa8 s ILE 58 Ca 0.28 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.56 2fa8 s ILE 58 Cb -0.16 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 2fa8 s ILE 58 CO 0.10 -0.00 0.24 2.30 0.00 0.00 0.00 174.94 177.58 2fa8 n ILE 59 N 4.70 0.00 -3.71 2.92 -5.35 0.41 -4.93 119.36 113.40 2fa8 n ILE 59 Ca 0.15 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2fa8 n ILE 59 Cb 0.41 0.87 -0.09 0.00 -1.74 0.00 0.00 39.64 39.08 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 -1.76 -0.54 -0.11 4.28 -0.11 -0.87 -4.97 118.94 114.86 2fa8 s TRP 60 Ca 0.01 1.29 -0.08 0.00 1.22 0.00 0.00 56.10 58.55 2fa8 s TRP 60 Cb 0.05 0.20 0.04 0.00 -1.50 0.00 0.00 33.47 32.25 2fa8 s TRP 60 CO 0.26 -0.27 0.26 -2.00 -4.62 0.00 0.00 176.95 170.58 2fa8 s GLU 61 N 0.42 0.27 0.12 5.86 -6.30 -1.26 -0.58 118.70 117.23 2fa8 s GLU 61 Ca -0.01 0.46 -0.25 0.00 -2.50 0.00 0.00 54.97 52.66 2fa8 s GLU 61 Cb -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 34.13 34.07 2fa8 s GLU 61 CO -0.01 -0.10 1.64 -0.09 0.02 0.00 0.00 175.26 176.72 2fa8 h ARG 62 N 6.42 -0.36 0.00 4.30 2.43 -1.41 -0.78 114.38 124.98 2fa8 h ARG 62 Ca -0.33 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2fa8 h ARG 62 Cb 1.18 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2fa8 h ARG 62 CO 0.35 -0.24 0.00 1.63 -1.51 0.00 0.00 179.97 180.21 2fa8 n LYS 63 N -5.36 0.00 -0.15 0.20 5.02 -1.26 -0.65 118.16 115.96 2fa8 n LYS 63 Ca -0.05 0.54 -0.04 0.00 -2.02 0.00 0.00 58.31 56.74 2fa8 n LYS 63 Cb 0.27 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2fa8 n LYS 63 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2fa8 h ARG 64 N 0.00 -0.09 -0.01 1.97 2.43 -1.97 -2.11 114.38 114.60 2fa8 h ARG 64 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2fa8 h ARG 64 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2fa8 h ARG 64 CO 0.00 -0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.15 2fa8 n ASP 65 N -5.40 0.92 -0.46 -3.80 8.00 -0.30 -4.92 116.55 110.58 2fa8 n ASP 65 Ca 0.04 -1.32 -0.02 0.00 0.71 0.00 0.00 54.79 54.20 2fa8 n ASP 65 Cb 0.30 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.10 0.53 0.00 0.44 0.00 -0.26 -4.81 105.19 102.19 2fa8 n GLY 66 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.84 0.36 3.14 -0.02 0.00 0.18 -5.04 105.19 102.98 2fa8 n GLY 67 Ca -0.01 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 1.30 0.45 1.61 0.08 -1.26 -4.18 117.98 115.97 2fa8 s PHE 68 Ca 0.00 -0.31 -0.21 0.00 0.12 0.00 0.00 56.93 56.53 2fa8 s PHE 68 Cb 0.00 -0.80 -0.09 0.00 -0.57 0.00 0.00 43.02 41.56 2fa8 s PHE 68 CO 0.00 0.02 1.02 -1.25 -0.10 0.00 0.00 175.22 174.91 2fa8 s PRO 69 N -0.80 4.00 0.64 0.24 0.04 -1.26 -5.06 135.00 132.79 2fa8 s PRO 69 Ca 0.04 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 2fa8 s PRO 69 Cb -0.07 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2fa8 s PRO 69 CO 0.01 -0.26 1.03 0.20 0.04 0.00 0.00 177.00 178.01 2fa8 s GLY 70 N -1.92 1.63 0.30 0.56 0.00 -1.26 -4.92 107.32 101.71 2fa8 s GLY 70 Ca 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 2fa8 s GLY 70 CO 0.20 0.04 1.90 -0.56 0.00 0.00 0.00 173.10 174.68 2fa8 h PRO 71 N -0.39 0.87 0.13 2.90 0.13 -2.00 -2.36 132.00 131.28 2fa8 h PRO 71 Ca -0.45 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2fa8 h PRO 71 Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2fa8 h PRO 71 CO 0.63 0.69 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.81 2fa8 h LYS 72 N 0.87 -0.16 -0.31 0.86 3.64 -2.00 -2.48 116.57 116.98 2fa8 h LYS 72 Ca 0.21 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2fa8 h LYS 72 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2fa8 h LYS 72 CO -0.02 -0.03 -0.27 1.05 -2.27 0.00 0.00 179.45 177.90 2fa8 h GLU 73 N -0.25 0.62 0.04 1.90 4.11 -1.95 -2.74 114.58 116.30 2fa8 h GLU 73 Ca -0.02 -0.26 0.02 0.00 0.07 0.00 0.00 59.36 59.18 2fa8 h GLU 73 Cb 0.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2fa8 h GLU 73 CO 0.03 0.83 -0.23 1.25 0.07 0.00 0.00 179.01 180.96 2fa8 h LEU 74 N 0.54 -0.66 -0.99 3.06 5.85 -1.28 -2.11 115.31 119.71 2fa8 h LEU 74 Ca 0.07 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 2fa8 h LEU 74 Cb 0.74 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2fa8 h LEU 74 CO 0.06 -0.30 -0.34 0.07 -0.34 0.00 0.00 178.44 177.58 2fa8 h LYS 75 N -0.38 0.00 -0.18 1.25 5.09 -1.41 -2.76 116.57 118.17 2fa8 h LYS 75 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.69 2fa8 h LYS 75 Cb 0.44 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.77 2fa8 h LYS 75 CO -0.18 0.34 -0.28 1.96 -2.09 0.00 0.00 179.45 179.20 2fa8 h GLN 76 N 0.00 0.52 -0.35 0.07 1.08 -1.32 -0.22 115.11 114.88 2fa8 h GLN 76 Ca -0.00 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2fa8 h GLN 76 Cb 0.85 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2fa8 h GLN 76 CO 0.04 0.91 0.23 0.00 -0.95 0.00 0.00 178.83 179.06 2fa8 h ARG 77 N 0.17 0.41 -0.03 1.46 3.08 -1.28 0.53 114.38 118.72 2fa8 h ARG 77 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2fa8 h ARG 77 Cb 0.86 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2fa8 h ARG 77 CO 0.06 0.27 -0.07 0.82 -1.07 0.00 0.00 179.97 179.99 2fa8 h ILE 78 N 0.43 1.46 -0.45 2.04 2.04 -1.43 -3.15 117.51 118.45 2fa8 h ILE 78 Ca 0.14 -1.48 0.08 0.00 1.00 0.00 0.00 64.86 64.60 2fa8 h ILE 78 Cb 0.02 2.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 2fa8 h ILE 78 CO -0.03 0.40 0.05 -0.09 0.00 0.00 0.00 178.15 178.48 2fa8 h ARG 79 N -0.47 0.17 -0.53 2.37 2.43 -0.41 -0.71 114.38 117.23 2fa8 h ARG 79 Ca -0.00 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2fa8 h ARG 79 Cb 0.68 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.09 2fa8 h ARG 79 CO 0.02 0.11 -0.39 -0.44 -1.51 0.00 0.00 179.97 177.76 2fa8 h ASP 80 N 0.17 -1.33 -0.23 -3.80 3.32 -0.02 -2.52 116.42 112.03 2fa8 h ASP 80 Ca 0.23 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 2fa8 h ASP 80 Cb 0.31 0.62 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2fa8 h ASP 80 CO -0.33 -0.33 0.06 -0.07 -1.72 0.00 0.00 179.24 176.85 2fa8 h LEU 81 N -0.23 0.34 -0.18 1.55 3.38 -1.42 -3.51 115.31 115.24 2fa8 h LEU 81 Ca 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2fa8 h LEU 81 Cb 0.56 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2fa8 h LEU 81 CO -0.65 0.47 0.00 -0.38 0.09 0.00 0.00 178.44 177.98