#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fa8 s LYS 5 N 0.00 4.52 0.55 -2.82 1.02 -1.26 -5.01 119.74 116.73 2fa8 s LYS 5 Ca 0.00 1.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.96 2fa8 s LYS 5 Cb 0.00 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2fa8 s LYS 5 CO 0.00 0.41 1.00 -2.30 -0.92 0.00 0.00 175.35 173.53 2fa8 n PRO 6 N 0.95 1.08 -4.96 -1.68 -0.02 -1.26 -4.01 135.00 125.10 2fa8 n PRO 6 Ca -0.01 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 2fa8 n PRO 6 Cb 0.50 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.56 3.02 -0.09 -0.52 0.52 -1.26 -0.28 118.95 117.77 2fa8 s ARG 7 Ca 0.72 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 2fa8 s ARG 7 Cb -0.45 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2fa8 s ARG 7 CO 0.50 0.32 -0.09 0.42 0.02 0.00 0.00 175.30 176.47 2fa8 s ILE 8 N 0.05 3.53 -0.02 1.52 1.01 -0.42 -0.26 121.20 126.60 2fa8 s ILE 8 Ca -0.07 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2fa8 s ILE 8 Cb -0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2fa8 s ILE 8 CO 0.05 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.33 2fa8 s ALA 9 N -0.39 1.89 -0.27 9.38 0.00 -0.49 -0.22 121.76 131.65 2fa8 s ALA 9 Ca 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2fa8 s ALA 9 Cb -0.12 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2fa8 s ALA 9 CO 0.02 0.44 -0.09 0.42 0.00 0.00 0.00 175.76 176.56 2fa8 s ILE 10 N -0.44 2.21 -0.21 0.00 1.01 0.86 -1.38 121.20 123.26 2fa8 s ILE 10 Ca 0.06 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.82 2fa8 s ILE 10 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2fa8 s ILE 10 CO -0.00 -0.10 0.43 -0.13 0.00 0.00 0.00 174.94 175.14 2fa8 s ARG 11 N 1.08 4.16 0.02 2.79 0.52 0.22 -0.98 118.95 126.76 2fa8 s ARG 11 Ca -0.06 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2fa8 s ARG 11 Cb -0.20 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 2fa8 s ARG 11 CO -0.05 -0.10 -0.03 1.52 0.02 0.00 0.00 175.30 176.66 2fa8 s TYR 12 N 1.49 0.25 -0.18 -0.53 -0.85 -0.99 -1.14 117.35 115.40 2fa8 s TYR 12 Ca 0.20 -0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 56.10 2fa8 s TYR 12 Cb -0.15 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 2fa8 s TYR 12 CO 0.09 -0.12 1.27 0.00 -1.52 0.00 0.00 175.55 175.27 2fa8 h THR 14 N 5.55 1.38 0.00 0.00 1.35 -1.65 -2.90 112.91 116.65 2fa8 h THR 14 Ca -0.26 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2fa8 h THR 14 Cb 1.10 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2fa8 h THR 14 CO 0.98 0.48 0.00 1.56 -0.25 0.00 0.00 175.52 178.28 2fa8 h GLN 15 N -0.02 0.00 0.00 4.72 1.08 -1.92 -1.38 115.11 117.59 2fa8 h GLN 15 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2fa8 h GLN 15 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2fa8 h GLN 15 CO 0.07 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.95 2fa8 n ASN 17 N -1.02 -4.32 -1.07 0.00 3.02 -0.52 -4.93 115.26 106.42 2fa8 n ASN 17 Ca 0.16 -0.61 0.11 0.00 -0.03 0.00 0.00 54.58 54.22 2fa8 n ASN 17 Cb 0.09 -4.89 0.26 0.00 -0.61 0.00 0.00 39.78 34.62 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 -4.62 0.54 -0.28 3.10 8.01 -1.10 -4.42 117.44 118.67 2fa8 n TRP 18 Ca -0.12 -0.27 0.02 0.00 -1.31 0.00 0.00 57.50 55.82 2fa8 n TRP 18 Cb 0.60 0.00 0.15 0.00 -2.01 0.00 0.00 31.31 30.05 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 3.97 0.66 -0.08 -0.99 5.85 -1.85 -1.52 115.31 121.34 2fa8 h LEU 19 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2fa8 h LEU 19 Cb 0.88 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2fa8 h LEU 19 CO 0.00 0.39 0.05 -0.07 -0.34 0.00 0.00 178.44 178.46 2fa8 h LEU 20 N 0.78 0.09 -0.85 2.25 4.07 -1.99 0.34 115.31 120.00 2fa8 h LEU 20 Ca 0.37 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.16 2fa8 h LEU 20 Cb 0.31 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2fa8 h LEU 20 CO -0.23 0.12 -0.42 0.08 -1.08 0.00 0.00 178.44 176.91 2fa8 h ARG 21 N 0.06 0.33 -0.18 1.13 0.11 -1.85 -0.56 114.38 113.42 2fa8 h ARG 21 Ca 0.03 -0.17 -0.03 0.00 0.10 0.00 0.00 59.98 59.91 2fa8 h ARG 21 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2fa8 h ARG 21 CO -0.00 0.70 0.00 0.00 0.10 0.00 0.00 179.97 180.76 2fa8 h ALA 22 N 1.28 0.25 -0.79 0.08 0.00 -0.81 -3.18 119.26 116.09 2fa8 h ALA 22 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2fa8 h ALA 22 Cb 0.86 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2fa8 h ALA 22 CO 0.07 -0.04 0.51 0.78 0.00 0.00 0.00 179.25 180.57 2fa8 h GLY 23 N 0.08 1.11 -1.08 0.00 0.00 -0.79 -0.63 103.07 101.75 2fa8 h GLY 23 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2fa8 h GLY 23 CO 0.01 0.41 0.00 1.87 0.00 0.00 0.00 176.54 178.83 2fa8 n TRP 24 N -4.53 0.00 0.00 5.60 -0.00 -0.23 -1.76 117.44 116.52 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 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.32 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 0.50 0.00 0.02 5.87 0.00 -0.25 -0.41 120.51 126.25 2fa8 n ALA 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2fa8 n ALA 26 Cb 0.02 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.51 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 0.51 -0.37 0.00 4.20 -1.62 -0.90 115.11 116.93 2fa8 h GLN 27 Ca 0.00 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2fa8 h GLN 27 Cb 0.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2fa8 h GLN 27 CO 0.00 0.97 0.21 0.93 -0.67 0.00 0.00 178.83 180.27 2fa8 h GLU 28 N 0.37 0.51 -0.03 1.46 4.39 -1.01 -1.06 114.58 119.22 2fa8 h GLU 28 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2fa8 h GLU 28 Cb 1.18 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2fa8 h GLU 28 CO 0.11 0.41 0.02 0.82 -1.16 0.00 0.00 179.01 179.21 2fa8 h ILE 29 N 0.47 1.02 -0.09 3.13 2.04 -1.78 -2.55 117.51 119.74 2fa8 h ILE 29 Ca 0.13 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 2fa8 h ILE 29 Cb 0.04 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2fa8 h ILE 29 CO -0.02 0.01 -0.25 -0.07 0.00 0.00 0.00 178.15 177.82 2fa8 h LEU 30 N 0.03 0.16 -0.64 1.44 3.38 -1.09 0.31 115.31 118.90 2fa8 h LEU 30 Ca 0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2fa8 h LEU 30 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2fa8 h LEU 30 CO -0.00 0.42 -0.13 -0.61 0.09 0.00 0.00 178.44 178.21 2fa8 h GLN 31 N 0.15 0.94 0.13 1.13 4.15 -1.01 -1.82 115.11 118.78 2fa8 h GLN 31 Ca 0.02 -0.34 -0.31 0.00 0.77 0.00 0.00 58.65 58.79 2fa8 h GLN 31 Cb 0.53 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2fa8 h GLN 31 CO 0.04 1.00 -1.54 1.15 -1.93 0.00 0.00 178.83 177.55 2fa8 h THR 32 N 0.83 1.15 -0.03 2.39 2.02 -1.06 -3.39 112.91 114.82 2fa8 h THR 32 Ca 0.13 -2.77 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 2fa8 h THR 32 Cb 0.67 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.86 2fa8 h THR 32 CO 0.05 0.83 -0.16 0.49 0.37 0.00 0.00 175.52 177.10 2fa8 n PHE 33 N -3.49 0.12 -0.32 3.16 3.72 0.06 -4.87 117.46 115.84 2fa8 n PHE 33 Ca -0.17 -1.18 -0.02 0.00 -0.05 0.00 0.00 57.45 56.03 2fa8 n PHE 33 Cb 1.05 -0.21 0.03 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.48 0.11 -0.00 4.37 0.00 -1.51 -0.25 119.26 122.46 2fa8 h ALA 34 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2fa8 h ALA 34 Cb 1.06 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2fa8 h ALA 34 CO 0.03 -0.63 -0.07 -1.13 0.00 0.00 0.00 179.25 177.45 2fa8 n SER 35 N -5.46 0.53 -0.05 0.00 3.41 -1.26 -3.86 113.62 106.92 2fa8 n SER 35 Ca 0.08 -0.78 0.04 0.00 -0.26 0.00 0.00 58.87 57.96 2fa8 n SER 35 Cb 0.39 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.80 0.58 -4.32 4.04 8.00 -0.15 -5.00 116.55 118.90 2fa8 n ASP 36 Ca 0.17 -0.79 -0.26 0.00 0.71 0.00 0.00 54.79 54.62 2fa8 n ASP 36 Cb 0.26 0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 42.09 2fa8 n ASP 36 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2fa8 s ILE 37 N -1.64 1.90 -0.00 0.53 -5.25 -0.92 -4.23 121.20 111.59 2fa8 s ILE 37 Ca 0.04 -1.59 -0.19 0.00 -0.99 0.00 0.00 60.65 57.92 2fa8 s ILE 37 Cb 0.06 -1.70 -0.28 0.00 2.95 0.00 0.00 42.46 43.49 2fa8 s ILE 37 CO 0.31 0.02 1.02 1.23 -1.79 0.00 0.00 174.94 175.72 2fa8 h GLY 38 N 4.08 0.48 -2.90 6.27 0.00 -0.78 -3.47 103.07 106.75 2fa8 h GLY 38 Ca -0.47 -1.01 0.15 0.00 0.00 0.00 0.00 47.33 46.00 2fa8 h GLY 38 CO 0.40 0.89 0.52 -1.83 0.00 0.00 0.00 176.54 176.52 2fa8 s GLU 39 N -2.84 0.95 -0.13 4.80 -1.05 -1.25 -5.04 118.70 114.14 2fa8 s GLU 39 Ca -0.12 -0.45 0.02 0.00 -0.15 0.00 0.00 54.97 54.27 2fa8 s GLU 39 Cb 0.03 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2fa8 s GLU 39 CO 0.86 -0.42 -0.18 0.08 0.95 0.00 0.00 175.26 176.55 2fa8 s VAL 40 N -3.14 1.73 -0.18 1.83 1.01 -1.26 -1.30 120.40 119.09 2fa8 s VAL 40 Ca 0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2fa8 s VAL 40 Cb -0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2fa8 s VAL 40 CO -0.04 0.49 0.05 -0.44 0.00 0.00 0.00 175.10 175.16 2fa8 s SER 41 N 1.03 5.48 -0.29 3.32 0.01 0.69 -4.99 113.70 118.94 2fa8 s SER 41 Ca -0.04 0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 2fa8 s SER 41 Cb -0.15 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2fa8 s SER 41 CO -0.04 0.16 0.24 -0.76 0.41 0.00 0.00 173.24 173.25 2fa8 s LEU 42 N 0.46 4.14 -0.30 2.44 1.43 -1.26 -0.10 118.68 125.48 2fa8 s LEU 42 Ca 0.02 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2fa8 s LEU 42 Cb -0.13 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 43.99 2fa8 s LEU 42 CO 0.01 -0.12 -0.01 -0.63 0.23 0.00 0.00 176.35 175.83 2fa8 s ILE 43 N 1.82 2.14 0.29 -0.59 1.01 -0.15 -4.99 121.20 120.73 2fa8 s ILE 43 Ca 0.08 -2.00 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 2fa8 s ILE 43 Cb -0.16 -2.45 -0.12 0.00 0.01 0.00 0.00 42.46 39.74 2fa8 s ILE 43 CO 0.11 -0.38 1.61 -0.81 0.00 0.00 0.00 174.94 175.47 2fa8 n PRO 44 N 4.36 2.72 -4.20 2.79 -0.04 -1.26 -2.35 135.00 137.02 2fa8 n PRO 44 Ca -0.03 0.97 -0.20 0.00 -0.04 0.00 0.00 63.50 64.20 2fa8 n PRO 44 Cb 0.42 -2.76 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 2fa8 n PRO 44 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2fa8 n SER 45 N 2.27 -0.43 -4.14 3.54 7.64 0.87 -4.85 113.62 118.52 2fa8 n SER 45 Ca 0.09 -3.14 -0.21 0.00 1.01 0.00 0.00 58.87 56.62 2fa8 n SER 45 Cb 0.37 1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 65.02 2fa8 n SER 45 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fa8 s THR 46 N -3.28 0.58 -1.30 0.44 -4.23 -1.26 -1.56 115.64 105.03 2fa8 s THR 46 Ca 0.36 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 2fa8 s THR 46 Cb 0.02 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.34 2fa8 s THR 46 CO 0.26 0.00 1.09 0.61 -0.54 0.00 0.00 174.62 176.04 2fa8 n GLY 47 N -0.68 -0.46 2.51 3.99 0.00 -1.26 -2.81 105.19 106.48 2fa8 n GLY 47 Ca -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.62 0.60 3.72 -0.02 0.00 -1.26 -4.97 105.19 101.63 2fa8 n GLY 48 Ca -0.12 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.99 4.37 -0.19 0.99 2.96 -1.12 -4.87 118.68 119.84 2fa8 s LEU 49 Ca 0.00 2.39 -0.05 0.00 -0.22 0.00 0.00 54.13 56.25 2fa8 s LEU 49 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 2fa8 s LEU 49 CO 0.00 -0.69 0.09 0.12 -1.32 0.00 0.00 176.35 174.56 2fa8 s PHE 50 N 1.08 0.22 -0.01 5.38 5.36 -1.25 -1.30 117.98 127.46 2fa8 s PHE 50 Ca 0.65 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2fa8 s PHE 50 Cb -0.38 -0.72 0.01 0.00 -0.34 0.00 0.00 43.02 41.59 2fa8 s PHE 50 CO 0.31 -0.56 0.00 -2.00 -1.46 0.00 0.00 175.22 171.52 2fa8 s GLU 51 N 2.13 0.06 -0.12 10.12 2.12 -0.29 -1.13 118.70 131.59 2fa8 s GLU 51 Ca 0.03 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.44 2fa8 s GLU 51 Cb -0.16 -0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.07 2fa8 s GLU 51 CO -0.13 -0.06 -0.20 0.42 -0.54 0.00 0.00 175.26 174.75 2fa8 s ILE 52 N 0.45 1.90 0.08 -3.70 1.01 0.27 -0.61 121.20 120.60 2fa8 s ILE 52 Ca -0.04 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.81 2fa8 s ILE 52 Cb -0.06 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2fa8 s ILE 52 CO -0.01 0.52 -0.24 0.42 0.00 0.00 0.00 174.94 175.63 2fa8 s THR 53 N 0.76 2.00 -0.23 2.92 -4.23 -0.48 -1.10 115.64 115.28 2fa8 s THR 53 Ca -0.09 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2fa8 s THR 53 Cb -0.16 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 71.97 2fa8 s THR 53 CO 0.00 0.17 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.44 2fa8 s VAL 54 N -0.95 2.40 -1.68 2.29 1.01 0.19 -1.40 120.40 122.26 2fa8 s VAL 54 Ca 0.11 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 2fa8 s VAL 54 Cb -0.10 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.18 2fa8 s VAL 54 CO 0.04 0.23 0.43 0.47 0.00 0.00 0.00 175.10 176.27 2fa8 n ASP 55 N 4.58 -1.07 0.00 3.32 10.43 0.64 -1.49 116.55 132.95 2fa8 n ASP 55 Ca -0.17 -1.17 0.00 0.00 2.57 0.00 0.00 54.79 56.02 2fa8 n ASP 55 Cb 0.46 -2.06 0.00 0.00 1.84 0.00 0.00 41.12 41.36 2fa8 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2fa8 n GLY 56 N -1.74 3.26 3.68 0.44 0.00 -1.26 -5.03 105.19 104.54 2fa8 n GLY 56 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.03 4.79 -0.20 2.61 2.01 -0.56 -4.98 115.64 117.28 2fa8 s THR 57 Ca 0.00 1.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 2fa8 s THR 57 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2fa8 s THR 57 CO 0.00 -0.02 1.41 -0.63 -0.69 0.00 0.00 174.62 174.68 2fa8 s ILE 58 N 2.26 4.02 -0.58 1.82 1.01 -1.26 -0.64 121.20 127.83 2fa8 s ILE 58 Ca 0.45 1.19 0.20 0.00 0.00 0.00 0.00 60.65 62.50 2fa8 s ILE 58 Cb -0.17 -3.90 -0.26 0.00 0.01 0.00 0.00 42.46 38.14 2fa8 s ILE 58 CO 0.14 -0.25 0.69 2.30 0.00 0.00 0.00 174.94 177.82 2fa8 n ILE 59 N 5.83 0.00 -3.67 2.92 -5.35 -0.26 -4.96 119.36 113.87 2fa8 n ILE 59 Ca 0.16 -0.20 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 2fa8 n ILE 59 Cb 0.45 0.61 -0.08 0.00 -1.74 0.00 0.00 39.64 38.88 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 -3.10 -0.69 -0.16 4.28 -0.11 -0.99 -4.98 118.94 113.19 2fa8 s TRP 60 Ca 0.02 1.60 -0.07 0.00 1.22 0.00 0.00 56.10 58.86 2fa8 s TRP 60 Cb 0.14 0.27 0.06 0.00 -1.50 0.00 0.00 33.47 32.45 2fa8 s TRP 60 CO 0.83 -0.34 0.36 -2.00 -4.62 0.00 0.00 176.95 171.19 2fa8 s GLU 61 N 0.57 0.30 0.22 5.86 -6.30 -1.26 -0.57 118.70 117.53 2fa8 s GLU 61 Ca -0.02 0.79 -0.11 0.00 -2.50 0.00 0.00 54.97 53.14 2fa8 s GLU 61 Cb -0.05 0.04 0.31 0.00 0.00 0.00 0.00 34.13 34.43 2fa8 s GLU 61 CO -0.03 -0.20 1.65 -0.09 0.02 0.00 0.00 175.26 176.61 2fa8 h ARG 62 N 7.57 0.09 0.16 4.30 2.43 -1.29 0.33 114.38 127.97 2fa8 h ARG 62 Ca -0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2fa8 h ARG 62 Cb 1.15 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2fa8 h ARG 62 CO 0.24 0.06 -0.08 0.87 -1.51 0.00 0.00 179.97 179.56 2fa8 h LYS 63 N 0.09 -0.21 -0.88 0.20 1.57 -1.86 -0.22 116.57 115.26 2fa8 h LYS 63 Ca 0.33 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2fa8 h LYS 63 Cb 0.55 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2fa8 h LYS 63 CO -0.57 0.18 0.55 -0.09 -0.57 0.00 0.00 179.45 178.95 2fa8 h ARG 64 N -0.67 1.19 -0.02 3.15 2.43 -1.88 -3.10 114.38 115.49 2fa8 h ARG 64 Ca -0.02 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2fa8 h ARG 64 Cb 0.49 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2fa8 h ARG 64 CO 0.04 0.82 -0.18 -0.25 -1.51 0.00 0.00 179.97 178.89 2fa8 n ASP 65 N -4.37 2.31 -0.35 -3.80 8.00 0.11 -4.99 116.55 113.46 2fa8 n ASP 65 Ca 0.10 -1.68 -0.02 0.00 0.71 0.00 0.00 54.79 53.90 2fa8 n ASP 65 Cb 0.05 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.35 0.42 0.00 0.44 0.00 -0.20 -4.81 105.19 102.38 2fa8 n GLY 66 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.92 0.43 3.25 -0.02 0.00 -0.55 -5.05 105.19 102.34 2fa8 n GLY 67 Ca -0.02 -1.25 -0.25 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 -1.61 1.74 0.42 1.61 0.08 -1.26 -4.15 117.98 114.81 2fa8 s PHE 68 Ca 0.00 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.44 2fa8 s PHE 68 Cb 0.00 -1.02 -0.09 0.00 -0.57 0.00 0.00 43.02 41.34 2fa8 s PHE 68 CO 0.00 0.11 1.01 -1.25 -0.10 0.00 0.00 175.22 174.99 2fa8 s PRO 69 N -1.35 4.12 0.70 0.24 0.04 -1.26 -5.07 135.00 132.41 2fa8 s PRO 69 Ca 0.07 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 2fa8 s PRO 69 Cb -0.09 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.10 2fa8 s PRO 69 CO 0.02 -0.15 1.07 0.20 0.04 0.00 0.00 177.00 178.18 2fa8 s GLY 70 N -1.83 1.65 0.20 0.56 0.00 -1.26 -4.92 107.32 101.71 2fa8 s GLY 70 Ca 0.61 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 45.12 2fa8 s GLY 70 CO 0.21 0.23 1.80 -0.56 0.00 0.00 0.00 173.10 174.78 2fa8 h PRO 71 N -0.67 1.00 0.03 2.90 0.13 -1.99 -2.02 132.00 131.38 2fa8 h PRO 71 Ca -0.45 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2fa8 h PRO 71 Cb 1.22 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2fa8 h PRO 71 CO 0.60 0.77 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.85 2fa8 h LYS 72 N 0.98 -0.12 -0.56 0.86 1.63 -2.00 -1.13 116.57 116.23 2fa8 h LYS 72 Ca 0.24 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 2fa8 h LYS 72 Cb 0.08 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2fa8 h LYS 72 CO -0.03 -0.08 0.30 1.49 -3.45 0.00 0.00 179.45 177.67 2fa8 h GLU 73 N -0.13 0.78 -0.19 1.90 4.57 -1.93 -1.49 114.58 118.09 2fa8 h GLU 73 Ca 0.02 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2fa8 h GLU 73 Cb 0.15 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2fa8 h GLU 73 CO -0.05 0.61 -0.05 1.25 -1.18 0.00 0.00 179.01 179.59 2fa8 h LEU 74 N 0.75 -0.19 -0.89 1.64 5.85 -1.20 -1.01 115.31 120.27 2fa8 h LEU 74 Ca 0.20 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2fa8 h LEU 74 Cb 0.06 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2fa8 h LEU 74 CO -0.03 -0.07 0.48 0.11 -0.34 0.00 0.00 178.44 178.59 2fa8 h LYS 75 N -0.00 1.25 -0.35 1.25 1.57 -0.88 -2.13 116.57 117.27 2fa8 h LYS 75 Ca 0.09 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2fa8 h LYS 75 Cb 0.15 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2fa8 h LYS 75 CO -0.20 0.92 0.12 1.96 -0.57 0.00 0.00 179.45 181.68 2fa8 h GLN 76 N 1.25 0.54 -0.50 3.15 4.20 -0.95 0.15 115.11 122.94 2fa8 h GLN 76 Ca 0.31 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 2fa8 h GLN 76 Cb 0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2fa8 h GLN 76 CO -0.05 0.56 -0.01 0.00 -0.67 0.00 0.00 178.83 178.66 2fa8 h ARG 77 N 0.42 0.86 -0.08 1.46 3.08 -0.96 0.13 114.38 119.30 2fa8 h ARG 77 Ca 0.12 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2fa8 h ARG 77 Cb 0.23 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2fa8 h ARG 77 CO -0.01 0.86 -0.03 0.82 -1.07 0.00 0.00 179.97 180.54 2fa8 h ILE 78 N 0.79 1.32 -0.45 2.04 2.04 -1.25 -3.14 117.51 118.86 2fa8 h ILE 78 Ca 0.15 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.06 2fa8 h ILE 78 Cb 0.49 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 2fa8 h ILE 78 CO 0.02 0.29 0.06 -0.09 0.00 0.00 0.00 178.15 178.43 2fa8 h ARG 79 N -0.20 0.18 -0.44 2.37 1.12 -0.52 -1.08 114.38 115.80 2fa8 h ARG 79 Ca 0.02 -0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.01 2fa8 h ARG 79 Cb 0.47 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 2fa8 h ARG 79 CO 0.01 0.12 0.33 -0.44 -3.11 0.00 0.00 179.97 176.88 2fa8 h ASP 80 N 0.18 0.00 0.10 -3.80 3.32 -0.70 0.18 116.42 115.70 2fa8 h ASP 80 Ca 0.22 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.96 2fa8 h ASP 80 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2fa8 h ASP 80 CO -0.32 0.00 -1.66 -0.07 -1.72 0.00 0.00 179.24 175.48 2fa8 h LEU 81 N 0.00 0.34 0.00 1.55 4.07 -1.32 -3.37 115.31 116.57 2fa8 h LEU 81 Ca 0.21 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.34 2fa8 h LEU 81 Cb 0.87 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2fa8 h LEU 81 CO -0.00 1.71 -1.86 2.30 -1.08 0.00 0.00 178.44 179.50 2fa8 n ILE 82 N -3.82 0.08 -2.73 1.22 -5.35 -0.48 -4.77 119.36 103.51 2fa8 n ILE 82 Ca -0.29 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 61.60 2fa8 n ILE 82 Cb 0.93 -0.04 0.08 0.00 -1.74 0.00 0.00 39.64 38.87 2fa8 n ILE 82 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2fa8 n ASP 83 N -2.31 -2.43 0.24 7.28 2.03 0.59 -5.03 116.55 116.93 2fa8 n ASP 83 Ca -0.03 -3.34 0.16 0.00 0.52 0.00 0.00 54.79 52.10 2fa8 n ASP 83 Cb 0.57 1.79 0.86 0.00 -0.72 0.00 0.00 41.12 43.61 2fa8 n ASP 83 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2fa8 h PRO 84 N 3.32 0.00 0.00 -0.67 0.13 -1.64 -1.45 132.00 131.68 2fa8 h PRO 84 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2fa8 h PRO 84 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2fa8 h PRO 84 CO 0.18 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.34 2fa8 n GLU 85 N -3.84 0.11 -2.49 0.86 1.02 -1.26 -4.82 120.64 110.21 2fa8 n GLU 85 Ca -0.00 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2fa8 n GLU 85 Cb 0.23 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2fa8 n GLU 85 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2fa8 s ARG 86 N -3.08 4.38 -0.15 3.49 3.52 -0.55 -5.01 118.95 121.55 2fa8 s ARG 86 Ca 0.10 1.64 -0.28 0.00 -0.13 0.00 0.00 55.73 57.07 2fa8 s ARG 86 Cb 0.14 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2fa8 s ARG 86 CO 0.48 -0.39 0.94 0.34 -0.81 0.00 0.00 175.30 175.86 2fa8 s ASP 87 N 1.37 7.10 0.00 -2.12 -1.08 -1.26 -4.94 116.67 115.73 2fa8 s ASP 87 Ca 0.55 1.35 0.27 0.00 -0.52 0.00 0.00 52.55 54.21 2fa8 s ASP 87 Cb -0.24 -2.51 0.82 0.00 -1.46 0.00 0.00 42.92 39.53 2fa8 s ASP 87 CO 0.23 -0.47 1.61 0.18 0.52 0.00 0.00 175.17 177.24 2fa8 n LEU 88 N 5.33 1.58 0.00 -1.34 4.77 -1.26 -5.26 117.00 120.82 2fa8 n LEU 88 Ca 0.08 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2fa8 n LEU 88 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2fa8 n LEU 88 CO 0.50 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.44