#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr5 n PRO 12 N 0.00 0.54 -0.30 3.49 -0.02 -1.26 -4.72 135.00 132.74 2fr5 n PRO 12 Ca 0.00 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 2fr5 n PRO 12 Cb 0.00 -2.21 0.17 0.00 -0.02 0.00 0.00 33.50 31.44 2fr5 n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fr5 h GLU 13 N -0.18 0.78 -0.04 -0.52 4.57 -2.05 -0.80 114.58 116.34 2fr5 h GLU 13 Ca -0.47 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.57 2fr5 h GLU 13 Cb 1.34 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2fr5 h GLU 13 CO 0.47 0.52 -0.38 1.12 -1.18 0.00 0.00 179.01 179.56 2fr5 h HIS 14 N 0.81 0.09 -0.15 0.92 2.07 -1.99 -1.31 115.15 115.59 2fr5 h HIS 14 Ca 0.40 -0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.85 2fr5 h HIS 14 Cb 0.37 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 2fr5 h HIS 14 CO -0.06 0.45 -0.12 0.28 -3.07 0.00 0.00 177.93 175.42 2fr5 h VAL 15 N 0.07 1.34 -0.71 6.12 2.07 -1.64 -1.33 116.25 122.17 2fr5 h VAL 15 Ca 0.01 -1.24 0.10 0.00 0.82 0.00 0.00 66.70 66.38 2fr5 h VAL 15 Cb 0.71 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 2fr5 h VAL 15 CO 0.05 0.37 0.34 1.56 0.02 0.00 0.00 177.57 179.90 2fr5 h GLN 16 N -0.02 0.54 -0.08 1.57 4.20 -0.83 -0.62 115.11 119.87 2fr5 h GLN 16 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2fr5 h GLN 16 Cb 0.63 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2fr5 h GLN 16 CO 0.03 0.36 0.03 0.00 -0.67 0.00 0.00 178.83 178.58 2fr5 h ARG 17 N 0.56 0.12 -0.28 1.46 3.08 -1.18 -1.57 114.38 116.57 2fr5 h ARG 17 Ca 0.36 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.44 2fr5 h ARG 17 Cb 0.42 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2fr5 h ARG 17 CO -0.30 0.26 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.72 2fr5 h LEU 18 N -0.04 -0.26 -0.47 3.04 3.38 -0.77 0.47 115.31 120.66 2fr5 h LEU 18 Ca 0.03 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2fr5 h LEU 18 Cb 0.18 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2fr5 h LEU 18 CO -0.00 -0.09 0.12 -0.07 0.09 0.00 0.00 178.44 178.49 2fr5 h LEU 19 N -0.00 0.71 -0.26 1.67 3.38 -1.05 -1.06 115.31 118.70 2fr5 h LEU 19 Ca 0.13 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2fr5 h LEU 19 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2fr5 h LEU 19 CO -0.28 0.76 -0.20 0.25 0.09 0.00 0.00 178.44 179.05 2fr5 h LEU 20 N 0.64 0.63 -0.81 1.67 5.85 -1.13 -1.99 115.31 120.16 2fr5 h LEU 20 Ca 0.15 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 2fr5 h LEU 20 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2fr5 h LEU 20 CO 0.00 0.95 0.30 0.28 -0.34 0.00 0.00 178.44 179.63 2fr5 h SER 21 N 0.32 1.09 -0.43 1.25 0.02 -0.81 -0.21 113.55 114.78 2fr5 h SER 21 Ca 0.05 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2fr5 h SER 21 Cb 0.75 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2fr5 h SER 21 CO 0.05 0.97 0.08 0.77 -1.14 0.00 0.00 176.83 177.57 2fr5 h SER 22 N 1.14 0.67 -0.49 3.07 4.64 -1.17 0.65 113.55 122.07 2fr5 h SER 22 Ca 0.26 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2fr5 h SER 22 Cb 0.24 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2fr5 h SER 22 CO -0.02 0.75 0.31 -0.09 -0.87 0.00 0.00 176.83 176.91 2fr5 h ARG 23 N 0.57 0.61 -0.54 4.77 2.43 -1.08 -2.78 114.38 118.36 2fr5 h ARG 23 Ca 0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2fr5 h ARG 23 Cb 0.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2fr5 h ARG 23 CO 0.01 0.40 0.03 1.49 -1.51 0.00 0.00 179.97 180.39 2fr5 h GLU 24 N 0.63 0.89 -0.19 0.20 4.57 -0.74 -2.94 114.58 117.00 2fr5 h GLU 24 Ca 0.19 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2fr5 h GLU 24 Cb -0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 2fr5 h GLU 24 CO -0.06 0.86 0.13 0.00 -1.18 0.00 0.00 179.01 178.76 2fr5 h ALA 25 N 1.20 1.88 -0.30 2.92 0.00 -0.60 -2.09 119.26 122.26 2fr5 h ALA 25 Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2fr5 h ALA 25 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2fr5 h ALA 25 CO 0.02 0.11 0.22 -0.22 0.00 0.00 0.00 179.25 179.38 2fr5 h LYS 26 N 0.25 0.00 0.00 0.00 3.64 -1.34 -1.83 116.57 117.29 2fr5 h LYS 26 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2fr5 h LYS 26 Cb -0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2fr5 h LYS 26 CO -0.02 0.00 -0.07 0.87 -2.27 0.00 0.00 179.45 177.97 2fr5 h LYS 27 N 0.00 0.00 -0.01 1.90 1.57 -1.52 -2.34 116.57 116.17 2fr5 h LYS 27 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2fr5 h LYS 27 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2fr5 h LYS 27 CO -0.00 0.07 -0.34 0.43 -0.57 0.00 0.00 179.45 179.04 2fr5 n SER 28 N -3.72 0.87 -4.57 0.86 7.64 -0.69 -4.97 113.62 109.03 2fr5 n SER 28 Ca -0.02 -0.70 -0.49 0.00 1.01 0.00 0.00 58.87 58.67 2fr5 n SER 28 Cb 0.17 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 2fr5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr5 n ALA 29 N -0.91 -0.83 -3.57 -0.43 0.00 -0.88 -4.94 120.51 108.94 2fr5 n ALA 29 Ca 0.10 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 2fr5 n ALA 29 Cb 0.34 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 2fr5 n ALA 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2fr5 s TYR 30 N -0.29 3.49 -0.35 0.00 5.04 -0.52 -4.95 117.35 119.77 2fr5 s TYR 30 Ca 0.72 -2.14 0.15 0.00 -2.44 0.00 0.00 57.07 53.36 2fr5 s TYR 30 Cb -0.85 -3.46 0.41 0.00 0.35 0.00 0.00 41.96 38.42 2fr5 s TYR 30 CO 0.53 -0.95 0.92 0.00 -1.34 0.00 0.00 175.55 174.70 2fr5 n PRO 32 N 0.02 0.15 -0.09 0.00 -0.04 -1.26 -0.46 135.00 133.32 2fr5 n PRO 32 Ca 0.13 0.37 -0.16 0.00 -0.04 0.00 0.00 63.50 63.80 2fr5 n PRO 32 Cb 0.77 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2fr5 n PRO 32 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2fr5 h TYR 33 N 0.00 0.00 0.00 0.54 -1.99 -1.95 -3.39 116.97 110.18 2fr5 h TYR 33 Ca 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 2fr5 h TYR 33 Cb 0.35 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 2fr5 h TYR 33 CO 0.00 1.06 -1.01 0.66 -0.00 0.00 0.00 178.16 178.86 2fr5 h SER 34 N -1.00 0.00 -4.67 3.88 4.64 -1.97 -3.47 113.55 110.96 2fr5 h SER 34 Ca -0.17 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.78 2fr5 h SER 34 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2fr5 h SER 34 CO -0.11 0.80 -0.54 0.54 -0.87 0.00 0.00 176.83 176.66 2fr5 n ARG 35 N -3.21 -3.67 -3.86 4.77 1.74 0.39 -4.95 116.66 107.85 2fr5 n ARG 35 Ca -0.03 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.45 2fr5 n ARG 35 Cb 0.89 -5.44 -0.13 0.00 -1.02 0.00 0.00 32.46 26.75 2fr5 n ARG 35 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2fr5 s PHE 36 N -2.98 2.96 0.26 -1.55 5.36 -1.26 -5.10 117.98 115.68 2fr5 s PHE 36 Ca 0.27 -3.04 -0.30 0.00 -0.96 0.00 0.00 56.93 52.91 2fr5 s PHE 36 Cb -0.13 -2.52 -0.09 0.00 -0.34 0.00 0.00 43.02 39.93 2fr5 s PHE 36 CO 0.34 -0.70 1.10 -1.25 -1.46 0.00 0.00 175.22 173.25 2fr5 s PRO 37 N -0.48 4.64 -0.03 10.12 0.04 -1.26 -4.95 135.00 143.07 2fr5 s PRO 37 Ca 0.20 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.05 2fr5 s PRO 37 Cb -0.18 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2fr5 s PRO 37 CO -0.05 0.20 -0.08 0.08 0.04 0.00 0.00 177.00 177.18 2fr5 s VAL 38 N -1.01 0.72 0.16 -0.36 1.01 -1.26 -3.92 120.40 115.74 2fr5 s VAL 38 Ca 0.45 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.23 2fr5 s VAL 38 Cb -0.31 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2fr5 s VAL 38 CO 0.40 0.24 -0.23 -0.83 0.00 0.00 0.00 175.10 174.68 2fr5 s GLY 39 N 0.34 1.67 0.01 4.51 0.00 -0.43 -2.13 107.32 111.29 2fr5 s GLY 39 Ca -0.05 -1.53 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 2fr5 s GLY 39 CO 0.01 -1.53 0.11 0.00 0.00 0.00 0.00 173.10 171.68 2fr5 s ALA 40 N -1.41 -0.22 -0.03 3.20 0.00 -0.19 -0.51 121.76 122.59 2fr5 s ALA 40 Ca 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 2fr5 s ALA 40 Cb -0.09 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2fr5 s ALA 40 CO 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 175.76 175.64 2fr5 s ALA 41 N -1.68 0.29 -0.21 0.00 0.00 -0.33 -0.79 121.76 119.03 2fr5 s ALA 41 Ca -0.13 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2fr5 s ALA 41 Cb -0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2fr5 s ALA 41 CO -0.00 -0.19 -0.07 -1.17 0.00 0.00 0.00 175.76 174.33 2fr5 s LEU 42 N 1.32 2.79 -0.25 0.00 2.96 0.12 -0.91 118.68 124.71 2fr5 s LEU 42 Ca -0.06 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 2fr5 s LEU 42 Cb -0.13 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2fr5 s LEU 42 CO -0.03 -0.00 0.30 -0.22 -1.32 0.00 0.00 176.35 175.08 2fr5 s LEU 43 N 1.36 4.07 0.60 -0.68 2.96 0.11 -0.97 118.68 126.14 2fr5 s LEU 43 Ca 0.04 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2fr5 s LEU 43 Cb -0.14 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.24 2fr5 s LEU 43 CO -0.04 -0.09 0.93 0.42 -1.32 0.00 0.00 176.35 176.25 2fr5 s THR 44 N 1.66 3.68 0.38 3.68 -4.23 -0.13 -0.27 115.64 120.41 2fr5 s THR 44 Ca 0.13 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2fr5 s THR 44 Cb -0.15 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.55 2fr5 s THR 44 CO 0.09 -0.51 1.89 1.23 -0.54 0.00 0.00 174.62 176.78 2fr5 h GLY 45 N -0.23 1.02 -0.40 3.99 0.00 -1.48 -1.79 103.07 104.18 2fr5 h GLY 45 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2fr5 h GLY 45 CO 0.61 0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.33 2fr5 n ASP 46 N -4.53 1.36 0.00 0.19 3.85 -1.26 -4.92 116.55 111.24 2fr5 n ASP 46 Ca 0.16 -1.51 0.00 0.00 -0.71 0.00 0.00 54.79 52.73 2fr5 n ASP 46 Cb 0.48 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 2fr5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr5 n GLY 47 N 1.13 0.47 3.76 6.12 0.00 -0.67 -5.08 105.19 110.92 2fr5 n GLY 47 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2fr5 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fr5 s ARG 48 N -0.73 4.63 -0.14 1.61 3.52 -1.26 -4.77 118.95 121.81 2fr5 s ARG 48 Ca 0.00 1.81 -0.03 0.00 -0.13 0.00 0.00 55.73 57.37 2fr5 s ARG 48 Cb 0.00 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2fr5 s ARG 48 CO 0.00 0.19 -0.03 0.42 -0.81 0.00 0.00 175.30 175.07 2fr5 s ILE 49 N -1.06 4.01 -0.14 4.11 1.01 -1.26 -0.96 121.20 126.91 2fr5 s ILE 49 Ca 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 2fr5 s ILE 49 Cb -0.32 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2fr5 s ILE 49 CO 0.41 0.52 -0.09 -0.36 0.00 0.00 0.00 174.94 175.41 2fr5 s PHE 50 N 0.07 2.90 0.20 3.97 0.08 -0.14 -4.93 117.98 120.13 2fr5 s PHE 50 Ca 0.00 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.54 2fr5 s PHE 50 Cb -0.13 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2fr5 s PHE 50 CO 0.02 -0.17 0.34 -1.12 -0.10 0.00 0.00 175.22 174.19 2fr5 s SER 51 N 0.43 6.33 0.15 1.36 0.01 -1.26 0.12 113.70 120.84 2fr5 s SER 51 Ca -0.07 0.17 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 2fr5 s SER 51 Cb -0.15 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.19 2fr5 s SER 51 CO 0.04 -0.03 0.40 -0.83 0.41 0.00 0.00 173.24 173.23 2fr5 s GLY 52 N -3.57 -0.03 0.09 3.44 0.00 0.03 -4.24 107.32 103.04 2fr5 s GLY 52 Ca 0.35 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.65 2fr5 s GLY 52 CO 0.29 -0.45 0.20 0.00 0.00 0.00 0.00 173.10 173.14 2fr5 s ASN 54 N -2.87 6.22 -0.28 0.00 4.22 -0.91 -3.73 114.94 117.60 2fr5 s ASN 54 Ca 0.06 2.45 -0.03 0.00 -2.14 0.00 0.00 52.86 53.19 2fr5 s ASN 54 Cb 0.05 -2.62 0.09 0.00 1.28 0.00 0.00 41.25 40.05 2fr5 s ASN 54 CO -0.10 -0.89 0.10 -0.63 -2.04 0.00 0.00 177.10 173.54 2fr5 s ILE 55 N -1.41 0.31 0.74 0.54 1.01 -0.21 -1.44 121.20 120.74 2fr5 s ILE 55 Ca 0.61 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 2fr5 s ILE 55 Cb -0.33 -1.18 0.07 0.00 0.01 0.00 0.00 42.46 41.04 2fr5 s ILE 55 CO 0.40 -0.61 1.07 -1.61 0.00 0.00 0.00 174.94 174.19 2fr5 s GLU 56 N 1.92 2.05 0.02 2.79 2.02 0.31 -1.28 118.70 126.53 2fr5 s GLU 56 Ca 0.07 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2fr5 s GLU 56 Cb -0.17 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2fr5 s GLU 56 CO -0.27 -1.39 -0.04 1.21 0.02 0.00 0.00 175.26 174.79 2fr5 s ASN 57 N -4.56 0.41 0.32 -0.19 3.84 -1.26 -4.78 114.94 108.73 2fr5 s ASN 57 Ca 0.61 -0.39 0.08 0.00 0.21 0.00 0.00 52.86 53.38 2fr5 s ASN 57 Cb -0.10 0.05 0.83 0.00 -0.55 0.00 0.00 41.25 41.47 2fr5 s ASN 57 CO 0.46 -0.18 1.77 0.00 -2.79 0.00 0.00 177.10 176.35 2fr5 h ALA 58 N 5.00 1.78 -1.70 1.71 0.00 -1.99 -3.11 119.26 120.96 2fr5 h ALA 58 Ca -0.31 0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.09 2fr5 h ALA 58 Cb 1.21 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2fr5 h ALA 58 CO 0.44 -0.18 0.70 0.00 0.00 0.00 0.00 179.25 180.20 2fr5 h TYR 60 N 9.46 0.20 0.00 0.00 0.99 -1.98 -0.18 116.97 125.46 2fr5 h TYR 60 Ca -0.26 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.51 2fr5 h TYR 60 Cb 1.07 0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.82 2fr5 h TYR 60 CO 0.97 -0.10 0.13 -1.35 -0.00 0.00 0.00 178.16 177.81 2fr5 h PRO 61 N 0.24 0.00 -0.13 4.88 0.11 -1.92 -2.41 132.00 132.77 2fr5 h PRO 61 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2fr5 h PRO 61 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2fr5 h PRO 61 CO -0.51 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.56 2fr5 n LEU 62 N -2.60 1.82 -4.63 2.35 4.32 -0.08 -4.90 117.00 113.27 2fr5 n LEU 62 Ca -0.02 -0.71 -0.29 0.00 -0.02 0.00 0.00 56.01 54.97 2fr5 n LEU 62 Cb 0.17 -0.08 0.19 0.00 -1.62 0.00 0.00 43.42 42.08 2fr5 n LEU 62 CO 0.13 0.35 0.61 -0.83 -1.22 0.00 0.00 177.39 176.44 2fr5 s GLY 63 N -1.73 1.59 0.04 -0.72 0.00 -0.91 -4.61 107.32 100.98 2fr5 s GLY 63 Ca 0.34 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.02 2fr5 s GLY 63 CO 0.29 0.51 -0.09 0.54 0.00 0.00 0.00 173.10 174.36 2fr5 s VAL 64 N -2.75 0.65 0.45 1.40 0.11 -0.40 -4.98 120.40 114.88 2fr5 s VAL 64 Ca 0.66 -1.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.61 2fr5 s VAL 64 Cb -0.21 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 2fr5 s VAL 64 CO 0.60 -0.27 0.82 0.00 -3.33 0.00 0.00 175.10 172.91 2fr5 h ALA 66 N 0.83 0.73 -0.63 0.00 0.00 -1.83 -1.25 119.26 117.11 2fr5 h ALA 66 Ca -0.47 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2fr5 h ALA 66 Cb 1.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2fr5 h ALA 66 CO 0.63 -0.35 0.27 0.93 0.00 0.00 0.00 179.25 180.72 2fr5 h GLU 67 N 0.20 0.94 -0.17 0.00 3.07 -1.89 -1.37 114.58 115.36 2fr5 h GLU 67 Ca 0.35 -0.16 -0.18 0.00 -0.50 0.00 0.00 59.36 58.86 2fr5 h GLU 67 Cb 0.56 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2fr5 h GLU 67 CO -0.49 0.78 -0.64 0.00 -1.40 0.00 0.00 179.01 177.26 2fr5 h ARG 68 N 0.88 0.61 -0.50 2.33 3.08 -1.84 -1.34 114.38 117.61 2fr5 h ARG 68 Ca 0.21 -0.44 0.09 0.00 0.07 0.00 0.00 59.98 59.91 2fr5 h ARG 68 Cb 0.18 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 2fr5 h ARG 68 CO -0.02 1.06 0.09 1.15 -1.07 0.00 0.00 179.97 181.17 2fr5 h THR 69 N 0.45 0.70 -0.19 2.04 2.02 -0.81 0.99 112.91 118.11 2fr5 h THR 69 Ca -0.01 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2fr5 h THR 69 Cb 1.22 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2fr5 h THR 69 CO 0.12 0.04 0.02 0.00 0.37 0.00 0.00 175.52 176.08 2fr5 h ALA 70 N 1.40 0.25 -0.50 6.16 0.00 -1.11 -1.88 119.26 123.59 2fr5 h ALA 70 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2fr5 h ALA 70 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2fr5 h ALA 70 CO -0.34 -0.07 0.26 0.82 0.00 0.00 0.00 179.25 179.92 2fr5 h ILE 71 N 0.09 1.18 -0.70 0.00 2.04 -1.04 -1.70 117.51 117.38 2fr5 h ILE 71 Ca 0.06 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 2fr5 h ILE 71 Cb 0.33 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2fr5 h ILE 71 CO 0.01 0.20 0.19 1.56 0.00 0.00 0.00 178.15 180.10 2fr5 h GLN 72 N 0.66 1.10 -0.01 2.37 4.20 -0.77 -0.97 115.11 121.70 2fr5 h GLN 72 Ca 0.17 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2fr5 h GLN 72 Cb 0.08 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2fr5 h GLN 72 CO -0.03 0.96 -0.01 0.87 -0.67 0.00 0.00 178.83 179.95 2fr5 h LYS 73 N 1.05 -0.02 -0.05 1.46 1.57 -1.13 -0.96 116.57 118.49 2fr5 h LYS 73 Ca 0.22 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2fr5 h LYS 73 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2fr5 h LYS 73 CO -0.00 -0.01 -0.10 0.00 -0.57 0.00 0.00 179.45 178.76 2fr5 h ALA 74 N 0.99 -0.07 -0.76 3.86 0.00 -0.87 -2.52 119.26 119.89 2fr5 h ALA 74 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2fr5 h ALA 74 Cb 0.04 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2fr5 h ALA 74 CO -0.03 -0.58 0.49 0.82 0.00 0.00 0.00 179.25 179.96 2fr5 h ILE 75 N -0.15 1.15 0.00 0.00 2.04 -1.10 -1.24 117.51 118.21 2fr5 h ILE 75 Ca 0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2fr5 h ILE 75 Cb 0.23 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2fr5 h ILE 75 CO -0.14 0.18 -0.01 0.77 0.00 0.00 0.00 178.15 178.95 2fr5 h SER 76 N 0.98 0.00 -0.52 1.72 4.64 -0.75 -0.22 113.55 119.40 2fr5 h SER 76 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2fr5 h SER 76 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2fr5 h SER 76 CO -0.09 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 2fr5 n GLU 77 N -3.33 2.63 -0.46 4.77 -0.58 -0.73 -4.96 120.64 117.98 2fr5 n GLU 77 Ca -0.03 -2.33 0.00 0.00 -0.42 0.00 0.00 57.16 54.38 2fr5 n GLU 77 Cb 0.10 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2fr5 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fr5 n GLY 78 N 1.20 0.73 3.42 0.62 0.00 -0.09 -5.07 105.19 106.00 2fr5 n GLY 78 Ca 0.19 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2fr5 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fr5 s TYR 79 N -2.00 3.05 0.00 1.61 1.51 -0.55 -4.94 117.35 116.03 2fr5 s TYR 79 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2fr5 s TYR 79 Cb 0.00 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2fr5 s TYR 79 CO 0.00 -0.35 0.32 1.63 -1.11 0.00 0.00 175.55 176.04 2fr5 n LYS 80 N 4.66 0.16 -3.27 -0.62 5.02 -1.26 -3.03 118.16 119.82 2fr5 n LYS 80 Ca -0.17 -0.32 -0.46 0.00 -2.02 0.00 0.00 58.31 55.35 2fr5 n LYS 80 Cb 0.51 -0.80 -0.05 0.00 -0.02 0.00 0.00 35.03 34.67 2fr5 n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fr5 s ASP 81 N -0.11 6.19 -0.13 4.39 2.15 -1.26 -4.96 116.67 122.92 2fr5 s ASP 81 Ca 0.00 -1.67 -0.03 0.00 0.43 0.00 0.00 52.55 51.28 2fr5 s ASP 81 Cb 0.00 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.36 2fr5 s ASP 81 CO 0.00 -0.90 -0.02 -0.36 -0.17 0.00 0.00 175.17 173.72 2fr5 s PHE 82 N 1.86 3.09 -0.24 -5.34 0.08 -1.26 -1.20 117.98 114.97 2fr5 s PHE 82 Ca 0.05 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 2fr5 s PHE 82 Cb -0.28 -1.91 -0.18 0.00 -0.57 0.00 0.00 43.02 40.08 2fr5 s PHE 82 CO 0.04 0.16 -0.15 -2.13 -0.10 0.00 0.00 175.22 173.04 2fr5 n ARG 83 N 3.05 0.66 -3.51 0.44 0.63 0.63 -4.79 116.66 113.77 2fr5 n ARG 83 Ca -0.18 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 56.81 2fr5 n ARG 83 Cb 0.53 -1.55 -0.04 0.00 0.45 0.00 0.00 32.46 31.85 2fr5 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fr5 s ALA 84 N -2.52 -1.79 -0.02 5.13 0.00 -1.09 -2.34 121.76 119.13 2fr5 s ALA 84 Ca -0.33 1.16 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2fr5 s ALA 84 Cb 0.09 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2fr5 s ALA 84 CO 0.61 -0.50 -0.04 -1.50 0.00 0.00 0.00 175.76 174.33 2fr5 s ILE 85 N -2.08 0.40 0.00 0.00 2.07 -0.01 0.08 121.20 121.66 2fr5 s ILE 85 Ca -0.03 -0.14 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 2fr5 s ILE 85 Cb -0.01 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 2fr5 s ILE 85 CO -0.01 0.15 -0.10 0.00 -1.91 0.00 0.00 174.94 173.08 2fr5 s ALA 86 N 0.34 2.90 -0.03 1.50 0.00 -0.08 -0.05 121.76 126.33 2fr5 s ALA 86 Ca -0.04 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2fr5 s ALA 86 Cb -0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2fr5 s ALA 86 CO -0.00 0.60 -0.19 0.42 0.00 0.00 0.00 175.76 176.58 2fr5 s ILE 87 N -0.94 1.54 0.04 0.00 1.01 -0.18 -1.18 121.20 121.48 2fr5 s ILE 87 Ca 0.16 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.06 2fr5 s ILE 87 Cb -0.11 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2fr5 s ILE 87 CO 0.06 0.44 -0.15 -0.55 0.00 0.00 0.00 174.94 174.73 2fr5 s SER 88 N -0.20 1.83 0.34 3.58 0.15 0.33 -2.69 113.70 117.05 2fr5 s SER 88 Ca 0.01 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.17 2fr5 s SER 88 Cb -0.10 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2fr5 s SER 88 CO 0.01 0.06 0.47 -0.94 1.20 0.00 0.00 173.24 174.05 2fr5 s SER 89 N -1.13 0.92 0.00 5.45 1.04 -1.26 -1.32 113.70 117.40 2fr5 s SER 89 Ca 0.03 -1.48 0.27 0.00 0.48 0.00 0.00 55.95 55.24 2fr5 s SER 89 Cb -0.08 0.66 1.05 0.00 0.10 0.00 0.00 66.02 67.75 2fr5 s SER 89 CO 0.01 -1.29 1.74 0.47 0.98 0.00 0.00 173.24 175.15 2fr5 n ASP 90 N -1.40 1.42 -4.62 7.02 8.00 -1.25 -4.38 116.55 121.33 2fr5 n ASP 90 Ca 0.01 -1.51 -0.43 0.00 0.71 0.00 0.00 54.79 53.58 2fr5 n ASP 90 Cb 0.62 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 2fr5 n ASP 90 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fr5 s LEU 91 N -1.92 3.83 0.05 0.64 2.96 -1.26 -4.89 118.68 118.08 2fr5 s LEU 91 Ca 0.37 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 2fr5 s LEU 91 Cb 0.20 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 43.11 2fr5 s LEU 91 CO 0.32 -1.21 1.02 1.56 -1.32 0.00 0.00 176.35 176.72 2fr5 h GLN 92 N 10.07 0.14 0.00 1.98 1.08 -1.98 -3.38 115.11 123.03 2fr5 h GLN 92 Ca -0.29 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 56.61 2fr5 h GLN 92 Cb 1.12 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2fr5 h GLN 92 CO 1.03 1.01 -0.29 0.93 -0.95 0.00 0.00 178.83 180.56 2fr5 h GLU 93 N 0.04 0.00 -4.88 1.46 4.39 -2.00 -3.46 114.58 110.12 2fr5 h GLU 93 Ca -0.15 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.18 2fr5 h GLU 93 Cb 1.93 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 30.33 2fr5 h GLU 93 CO 0.15 0.29 -0.77 -2.00 -1.16 0.00 0.00 179.01 175.52 2fr5 s GLU 94 N -3.27 0.70 0.23 2.33 2.56 -1.26 -5.12 118.70 114.88 2fr5 s GLU 94 Ca 0.03 -0.64 -0.30 0.00 0.00 0.00 0.00 54.97 54.06 2fr5 s GLU 94 Cb 0.08 -0.64 -0.10 0.00 2.00 0.00 0.00 34.13 35.48 2fr5 s GLU 94 CO 0.69 0.15 1.43 -0.06 -0.56 0.00 0.00 175.26 176.91 2fr5 s PHE 95 N -0.86 3.05 -0.17 5.30 0.40 -1.26 -4.67 117.98 119.78 2fr5 s PHE 95 Ca -0.02 1.02 -0.29 0.00 -0.60 0.00 0.00 56.93 57.04 2fr5 s PHE 95 Cb -0.07 -3.80 -0.01 0.00 0.51 0.00 0.00 43.02 39.65 2fr5 s PHE 95 CO 0.01 -2.62 1.15 -1.50 0.70 0.00 0.00 175.22 172.96 2fr5 s ILE 96 N 0.11 4.46 0.03 0.64 1.10 -0.49 -4.88 121.20 122.17 2fr5 s ILE 96 Ca 0.60 1.77 0.03 0.00 -0.51 0.00 0.00 60.65 62.54 2fr5 s ILE 96 Cb -0.41 -4.14 -0.04 0.00 0.15 0.00 0.00 42.46 38.02 2fr5 s ILE 96 CO 0.42 -0.12 -0.03 -0.94 -2.11 0.00 0.00 174.94 172.16 2fr5 s SER 97 N 1.56 4.89 0.32 4.50 1.04 -1.26 -4.03 113.70 120.72 2fr5 s SER 97 Ca 0.51 -0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.54 2fr5 s SER 97 Cb -0.19 -1.19 -0.10 0.00 0.10 0.00 0.00 66.02 64.64 2fr5 s SER 97 CO 0.13 0.25 1.16 -2.16 0.98 0.00 0.00 173.24 173.60 2fr5 s PRO 98 N -1.72 4.44 1.05 4.02 0.04 -1.26 -5.02 135.00 136.54 2fr5 s PRO 98 Ca 0.20 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2fr5 s PRO 98 Cb -0.11 -3.04 0.22 0.00 0.04 0.00 0.00 34.50 31.61 2fr5 s PRO 98 CO 0.11 -0.00 1.07 0.00 0.04 0.00 0.00 177.00 178.22 2fr5 h GLY 100 N -2.14 0.69 0.93 0.00 0.00 -1.98 -1.32 103.07 99.25 2fr5 h GLY 100 Ca -0.56 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 2fr5 h GLY 100 CO 0.53 0.29 0.12 0.00 0.00 0.00 0.00 176.54 177.49 2fr5 h ALA 101 N 1.60 0.47 -0.64 3.60 0.00 -1.99 -0.88 119.26 121.41 2fr5 h ALA 101 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2fr5 h ALA 101 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2fr5 h ALA 101 CO -0.02 0.10 0.24 0.00 0.00 0.00 0.00 179.25 179.57 2fr5 h ARG 103 N 0.91 0.85 -0.60 0.00 3.08 -1.00 -0.03 114.38 117.60 2fr5 h ARG 103 Ca 0.21 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 2fr5 h ARG 103 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2fr5 h ARG 103 CO -0.01 0.57 0.11 0.37 -1.07 0.00 0.00 179.97 179.93 2fr5 h GLN 104 N 0.88 0.99 -0.44 0.04 5.75 -0.75 -0.98 115.11 120.59 2fr5 h GLN 104 Ca 0.35 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2fr5 h GLN 104 Cb 0.18 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2fr5 h GLN 104 CO -0.18 0.93 0.12 0.28 -2.65 0.00 0.00 178.83 177.33 2fr5 h VAL 105 N 0.89 1.23 -0.56 2.39 2.07 -0.98 -2.48 116.25 118.81 2fr5 h VAL 105 Ca 0.18 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.02 2fr5 h VAL 105 Cb 0.41 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 2fr5 h VAL 105 CO 0.01 0.28 0.12 0.24 0.02 0.00 0.00 177.57 178.24 2fr5 h MET 106 N 0.58 0.25 0.00 1.57 2.86 -0.82 -2.55 114.93 116.82 2fr5 h MET 106 Ca 0.14 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2fr5 h MET 106 Cb 0.30 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2fr5 h MET 106 CO -0.00 0.17 -0.18 -0.09 1.06 0.00 0.00 176.91 177.87 2fr5 h ARG 107 N 0.26 0.00 -0.32 1.72 1.12 -0.91 -1.72 114.38 114.54 2fr5 h ARG 107 Ca 0.29 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 59.25 2fr5 h ARG 107 Cb 0.41 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 2fr5 h ARG 107 CO -0.36 0.18 0.31 1.49 -3.11 0.00 0.00 179.97 178.47 2fr5 h GLU 108 N 0.00 0.00 -0.22 0.20 4.57 -1.00 -2.16 114.58 115.97 2fr5 h GLU 108 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2fr5 h GLU 108 Cb 0.35 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 2fr5 h GLU 108 CO 0.02 0.00 -0.05 1.19 -1.18 0.00 0.00 179.01 179.00 2fr5 n PHE 109 N -3.92 0.74 0.00 0.92 3.01 -0.65 -4.97 117.46 112.60 2fr5 n PHE 109 Ca 0.05 -1.14 0.00 0.00 1.01 0.00 0.00 57.45 57.37 2fr5 n PHE 109 Cb 0.46 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2fr5 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2fr5 n GLY 110 N -0.91 3.26 0.00 1.37 0.00 -0.81 -4.72 105.19 103.38 2fr5 n GLY 110 Ca 0.23 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.36 2fr5 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fr5 n THR 111 N -0.97 0.00 1.59 2.61 -2.24 -1.26 -4.02 114.28 109.99 2fr5 n THR 111 Ca 0.00 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 61.67 2fr5 n THR 111 Cb 0.00 0.75 0.63 0.00 -2.10 0.00 0.00 70.33 69.61 2fr5 n THR 111 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fr5 n ASP 112 N -1.45 0.89 -4.99 3.42 4.64 -1.26 -0.89 116.55 116.91 2fr5 n ASP 112 Ca 0.01 -1.15 -0.19 0.00 -1.38 0.00 0.00 54.79 52.07 2fr5 n ASP 112 Cb 0.19 -0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.28 2fr5 n ASP 112 CO 0.00 0.00 0.00 -1.66 -0.82 0.00 0.00 177.20 174.72 2fr5 s TRP 113 N -2.13 2.97 -0.11 -0.67 1.48 -1.26 -4.85 118.94 114.37 2fr5 s TRP 113 Ca 0.38 -0.16 -0.08 0.00 -1.06 0.00 0.00 56.10 55.17 2fr5 s TRP 113 Cb 0.21 -2.35 -0.04 0.00 -1.16 0.00 0.00 33.47 30.13 2fr5 s TRP 113 CO 0.39 -0.40 0.18 0.00 -4.06 0.00 0.00 176.95 173.06 2fr5 s ALA 114 N -2.43 3.84 -0.23 2.67 0.00 -0.99 -1.53 121.76 123.09 2fr5 s ALA 114 Ca 0.52 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2fr5 s ALA 114 Cb -0.10 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 21.00 2fr5 s ALA 114 CO 0.34 0.56 -0.12 0.08 0.00 0.00 0.00 175.76 176.62 2fr5 s VAL 115 N -0.92 2.38 -0.39 0.00 1.01 0.50 -0.83 120.40 122.14 2fr5 s VAL 115 Ca 0.16 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 2fr5 s VAL 115 Cb -0.13 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2fr5 s VAL 115 CO 0.05 0.23 0.49 -0.31 0.00 0.00 0.00 175.10 175.56 2fr5 s TYR 116 N 1.24 3.16 -0.39 5.22 2.02 0.93 -1.95 117.35 127.57 2fr5 s TYR 116 Ca -0.01 -0.09 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 2fr5 s TYR 116 Cb -0.17 -2.96 0.02 0.00 -0.40 0.00 0.00 41.96 38.46 2fr5 s TYR 116 CO -0.07 -0.65 0.25 -1.64 -1.57 0.00 0.00 175.55 171.87 2fr5 s MET 117 N 2.34 2.88 0.38 -0.62 -1.94 0.12 -1.01 119.30 121.45 2fr5 s MET 117 Ca 0.16 -1.06 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 2fr5 s MET 117 Cb -0.16 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 32.81 2fr5 s MET 117 CO 0.14 -0.73 0.32 0.95 -0.01 0.00 0.00 175.02 175.69 2fr5 s THR 118 N 1.61 2.94 0.27 2.05 -4.23 -1.09 -1.15 115.64 116.02 2fr5 s THR 118 Ca 0.03 -1.41 0.11 0.00 -1.18 0.00 0.00 61.69 59.24 2fr5 s THR 118 Cb -0.19 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 2fr5 s THR 118 CO 0.08 -0.07 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.46 2fr5 s LYS 119 N -4.05 2.01 0.66 3.99 1.02 -0.16 -1.39 119.74 121.81 2fr5 s LYS 119 Ca 0.45 -1.57 0.37 0.00 0.02 0.00 0.00 55.97 55.23 2fr5 s LYS 119 Cb -0.03 -1.99 2.02 0.00 -0.52 0.00 0.00 37.83 37.31 2fr5 s LYS 119 CO 0.27 0.35 2.16 -1.35 -0.92 0.00 0.00 175.35 175.86 2fr5 h PRO 120 N 2.10 0.00 -0.01 -1.68 0.11 -1.76 -1.38 132.00 129.38 2fr5 h PRO 120 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2fr5 h PRO 120 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2fr5 h PRO 120 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2fr5 n ASP 121 N -3.13 0.38 0.00 -2.05 3.85 -1.26 -4.90 116.55 109.44 2fr5 n ASP 121 Ca -0.02 -1.21 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 2fr5 n ASP 121 Cb 0.22 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 2fr5 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr5 n GLY 122 N 1.01 0.99 3.82 6.12 0.00 -0.52 -5.05 105.19 111.56 2fr5 n GLY 122 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2fr5 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr5 s THR 123 N -2.77 4.12 0.21 2.61 -4.23 -1.26 -4.87 115.64 109.45 2fr5 s THR 123 Ca 0.00 0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 61.26 2fr5 s THR 123 Cb 0.00 -3.52 0.03 0.00 1.34 0.00 0.00 72.50 70.35 2fr5 s THR 123 CO 0.00 -0.67 0.54 0.72 -0.54 0.00 0.00 174.62 174.68 2fr5 s PHE 124 N -2.66 -0.10 -0.02 3.99 -0.12 -1.26 -0.99 117.98 116.83 2fr5 s PHE 124 Ca 0.61 -0.25 0.06 0.00 -0.05 0.00 0.00 56.93 57.30 2fr5 s PHE 124 Cb -0.14 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2fr5 s PHE 124 CO 0.40 -0.96 -0.21 0.14 -0.05 0.00 0.00 175.22 174.54 2fr5 s VAL 125 N -3.89 1.62 -0.12 -2.49 -7.23 -0.30 -4.97 120.40 103.02 2fr5 s VAL 125 Ca 0.10 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2fr5 s VAL 125 Cb -0.01 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 2fr5 s VAL 125 CO -0.01 0.46 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.40 2fr5 s VAL 126 N -0.48 2.95 0.06 1.32 1.01 -1.26 -0.71 120.40 123.29 2fr5 s VAL 126 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2fr5 s VAL 126 Cb -0.08 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2fr5 s VAL 126 CO -0.01 0.53 -0.07 -0.13 0.00 0.00 0.00 175.10 175.42 2fr5 s ARG 127 N 0.31 0.63 0.64 2.72 1.81 -0.82 -4.97 118.95 119.26 2fr5 s ARG 127 Ca -0.11 -0.94 -0.11 0.00 -1.72 0.00 0.00 55.73 52.85 2fr5 s ARG 127 Cb -0.16 -0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.05 2fr5 s ARG 127 CO 0.06 0.03 1.04 0.95 -0.68 0.00 0.00 175.30 176.70 2fr5 s THR 128 N -2.09 4.48 0.20 0.02 -4.23 -1.26 -0.37 115.64 112.39 2fr5 s THR 128 Ca -0.03 0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 61.20 2fr5 s THR 128 Cb -0.05 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.22 2fr5 s THR 128 CO -0.01 -1.03 1.72 0.58 -0.54 0.00 0.00 174.62 175.33 2fr5 h VAL 129 N -0.37 0.70 -0.58 2.29 2.07 -1.25 -1.59 116.25 117.52 2fr5 h VAL 129 Ca -0.44 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.09 2fr5 h VAL 129 Cb 1.20 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 2fr5 h VAL 129 CO 0.60 0.05 0.12 -0.61 0.02 0.00 0.00 177.57 177.76 2fr5 h GLN 130 N 0.29 0.25 -0.37 1.57 5.75 -1.30 0.76 115.11 122.06 2fr5 h GLN 130 Ca 0.29 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 2fr5 h GLN 130 Cb 0.41 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2fr5 h GLN 130 CO -0.36 0.17 0.01 0.93 -2.65 0.00 0.00 178.83 176.93 2fr5 h GLU 131 N 0.26 0.58 0.00 1.69 5.08 -1.68 -2.67 114.58 117.83 2fr5 h GLU 131 Ca 0.30 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2fr5 h GLU 131 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2fr5 h GLU 131 CO -0.38 0.59 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.93 2fr5 h LEU 132 N 0.55 0.00 -6.00 1.33 3.38 -0.41 -3.39 115.31 110.77 2fr5 h LEU 132 Ca 0.12 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.51 2fr5 h LEU 132 Cb 0.34 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.69 2fr5 h LEU 132 CO 0.01 0.02 -1.11 -0.11 0.09 0.00 0.00 178.44 177.33 2fr5 n LEU 133 N -2.63 0.29 -4.77 1.67 7.94 0.18 -5.06 117.00 114.61 2fr5 n LEU 133 Ca 0.04 -4.74 -0.34 0.00 -1.11 0.00 0.00 56.01 49.86 2fr5 n LEU 133 Cb 0.49 0.63 0.03 0.00 0.53 0.00 0.00 43.42 45.10 2fr5 n LEU 133 CO 0.34 2.10 0.76 -2.16 -1.11 0.00 0.00 177.39 177.31 2fr5 s PRO 134 N -1.34 3.04 -1.37 1.96 0.04 -1.03 -3.66 135.00 132.64 2fr5 s PRO 134 Ca 0.36 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 2fr5 s PRO 134 Cb 0.19 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.76 2fr5 s PRO 134 CO -0.11 -1.07 0.42 0.00 0.04 0.00 0.00 177.00 176.28 2fr5 n ALA 135 N -1.97 -2.19 -1.79 8.56 0.00 -1.26 -4.85 120.51 117.02 2fr5 n ALA 135 Ca 0.11 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2fr5 n ALA 135 Cb 0.52 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 2fr5 n ALA 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fr5 s SER 136 N -4.11 7.18 0.48 0.00 1.04 -1.24 -5.04 113.70 112.01 2fr5 s SER 136 Ca 0.15 1.84 -0.24 0.00 0.48 0.00 0.00 55.95 58.18 2fr5 s SER 136 Cb -0.07 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 2fr5 s SER 136 CO 0.92 -0.19 1.33 0.12 0.98 0.00 0.00 173.24 176.40 2fr5 s PHE 137 N -1.73 2.54 0.09 5.02 5.36 -1.26 -5.02 117.98 122.98 2fr5 s PHE 137 Ca 0.54 1.39 -0.09 0.00 -0.96 0.00 0.00 56.93 57.80 2fr5 s PHE 137 Cb -0.17 -3.72 0.03 0.00 -0.34 0.00 0.00 43.02 38.81 2fr5 s PHE 137 CO 0.22 -2.49 0.44 0.41 -1.46 0.00 0.00 175.22 172.34 2fr5 n GLY 138 N 0.63 1.08 0.39 13.12 0.00 -1.26 -5.00 105.19 114.16 2fr5 n GLY 138 Ca 0.07 -1.04 0.24 0.00 0.00 0.00 0.00 46.02 45.29 2fr5 n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fr5 h PRO 139 N 0.00 0.37 -0.31 1.61 0.11 -1.93 -1.14 132.00 130.71 2fr5 h PRO 139 Ca -0.12 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.99 2fr5 h PRO 139 Cb 0.53 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 2fr5 h PRO 139 CO 0.16 0.25 0.21 1.49 -0.21 0.00 0.00 178.00 179.90 2fr5 h GLU 140 N 0.38 0.32 -0.21 1.05 4.22 -1.98 -1.59 114.58 116.77 2fr5 h GLU 140 Ca 0.66 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 60.14 2fr5 h GLU 140 Cb 1.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2fr5 h GLU 140 CO -0.40 0.21 0.17 -0.44 -2.18 0.00 0.00 179.01 176.37 2fr5 h ASP 141 N 0.33 0.00 -0.20 1.04 3.32 -1.61 -2.39 116.42 116.91 2fr5 h ASP 141 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2fr5 h ASP 141 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2fr5 h ASP 141 CO -0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.67 2fr5 n LEU 142 N -4.29 2.99 -4.74 1.55 4.77 -0.61 -4.98 117.00 111.69 2fr5 n LEU 142 Ca 0.02 -1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 2fr5 n LEU 142 Cb 0.31 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2fr5 n LEU 142 CO 0.33 0.60 1.22 -1.10 -1.33 0.00 0.00 177.39 177.11 2fr5 s GLN 143 N -1.50 4.18 0.17 3.23 -0.21 -0.90 -4.92 119.66 119.72 2fr5 s GLN 143 Ca 0.29 2.46 -0.14 0.00 0.02 0.00 0.00 55.36 57.99 2fr5 s GLN 143 Cb 0.18 -3.08 0.07 0.00 1.00 0.00 0.00 33.01 31.18 2fr5 s GLN 143 CO 0.26 -0.58 1.83 -0.22 -2.12 0.00 0.00 175.29 174.47 2fr5 h LYS 144 N 5.50 0.65 -4.99 2.91 3.64 -1.93 -3.41 116.57 118.94 2fr5 h LYS 144 Ca -0.45 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.25 2fr5 h LYS 144 Cb 1.21 -0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 32.72 2fr5 h LYS 144 CO 0.83 0.43 -0.53 0.42 -2.27 0.00 0.00 179.45 178.33 2fr5 s ILE 145 N -6.15 5.17 0.00 2.00 -1.09 -1.26 -5.26 121.20 114.62 2fr5 s ILE 145 Ca -0.13 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2fr5 s ILE 145 Cb 0.12 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2fr5 s ILE 145 CO 0.74 0.30 0.30 0.00 -1.23 0.00 0.00 174.94 175.05