#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr5 n GLU 11 N 0.00 2.53 0.06 5.55 2.13 -1.26 -4.76 120.64 124.89 2fr5 n GLU 11 Ca 0.00 0.89 0.21 0.00 0.66 0.00 0.00 57.16 58.92 2fr5 n GLU 11 Cb 0.00 -2.65 0.70 0.00 0.27 0.00 0.00 31.44 29.77 2fr5 n GLU 11 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2fr5 h PRO 12 N 2.74 0.00 -0.03 5.31 0.13 -2.05 -0.20 132.00 137.89 2fr5 h PRO 12 Ca -0.51 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2fr5 h PRO 12 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2fr5 h PRO 12 CO 0.63 0.00 -0.68 1.49 -0.23 0.00 0.00 178.00 179.21 2fr5 h GLU 13 N 0.00 0.52 -0.64 0.86 4.81 -1.99 -1.55 114.58 116.59 2fr5 h GLU 13 Ca 0.23 -0.51 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2fr5 h GLU 13 Cb 1.33 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.82 2fr5 h GLU 13 CO -0.00 1.15 0.13 0.45 -0.73 0.00 0.00 179.01 180.00 2fr5 h HIS 14 N 0.09 1.10 -0.48 0.92 3.86 -1.45 -1.22 115.15 117.97 2fr5 h HIS 14 Ca -0.08 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2fr5 h HIS 14 Cb 1.36 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 2fr5 h HIS 14 CO 0.13 0.92 0.30 0.28 0.86 0.00 0.00 177.93 180.42 2fr5 h VAL 15 N 0.95 1.08 -0.47 2.45 2.07 -1.22 0.10 116.25 121.22 2fr5 h VAL 15 Ca 0.20 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2fr5 h VAL 15 Cb 0.40 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2fr5 h VAL 15 CO 0.01 0.11 0.15 -0.61 0.02 0.00 0.00 177.57 177.25 2fr5 h GLN 16 N 0.60 0.72 -0.65 1.57 5.75 -1.17 0.74 115.11 122.66 2fr5 h GLN 16 Ca 0.19 -0.15 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 2fr5 h GLN 16 Cb -0.02 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 2fr5 h GLN 16 CO -0.07 0.68 0.37 0.00 -2.65 0.00 0.00 178.83 177.16 2fr5 h ARG 17 N 0.61 0.69 -0.35 1.69 3.08 -0.87 -0.74 114.38 118.49 2fr5 h ARG 17 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2fr5 h ARG 17 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2fr5 h ARG 17 CO -0.01 0.45 0.19 -0.07 -1.07 0.00 0.00 179.97 179.47 2fr5 h LEU 18 N 0.71 0.43 -0.17 3.04 3.38 -0.46 -0.23 115.31 122.00 2fr5 h LEU 18 Ca 0.28 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2fr5 h LEU 18 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2fr5 h LEU 18 CO -0.16 0.40 0.09 -0.07 0.09 0.00 0.00 178.44 178.79 2fr5 h LEU 19 N 0.44 0.15 -0.67 1.67 3.38 -0.49 -0.72 115.31 119.06 2fr5 h LEU 19 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2fr5 h LEU 19 Cb 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2fr5 h LEU 19 CO -0.02 0.11 0.17 -0.07 0.09 0.00 0.00 178.44 178.72 2fr5 h LEU 20 N 0.20 1.01 -0.74 1.67 3.38 -1.07 -2.08 115.31 117.68 2fr5 h LEU 20 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2fr5 h LEU 20 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2fr5 h LEU 20 CO -0.04 0.98 0.34 -1.28 0.09 0.00 0.00 178.44 178.53 2fr5 h SER 21 N 1.00 0.99 -0.46 -0.43 0.87 -0.82 -0.43 113.55 114.26 2fr5 h SER 21 Ca 0.21 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 2fr5 h SER 21 Cb 0.35 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2fr5 h SER 21 CO 0.00 0.86 -0.21 -1.28 -0.53 0.00 0.00 176.83 175.67 2fr5 h SER 22 N 1.05 0.97 -0.38 6.23 0.87 -0.95 -0.13 113.55 121.21 2fr5 h SER 22 Ca 0.25 -0.40 -0.15 0.00 -1.23 0.00 0.00 61.79 60.26 2fr5 h SER 22 Cb 0.14 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2fr5 h SER 22 CO -0.03 1.16 -0.36 0.03 -0.53 0.00 0.00 176.83 177.10 2fr5 h ARG 23 N 0.79 0.93 -0.52 2.24 3.08 -1.23 -1.85 114.38 117.82 2fr5 h ARG 23 Ca 0.10 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.62 2fr5 h ARG 23 Cb 0.78 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2fr5 h ARG 23 CO 0.06 1.13 0.10 1.49 -1.07 0.00 0.00 179.97 181.69 2fr5 h GLU 24 N 0.77 0.86 -0.48 0.04 4.57 -0.97 -2.97 114.58 116.40 2fr5 h GLU 24 Ca 0.07 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 2fr5 h GLU 24 Cb 0.95 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2fr5 h GLU 24 CO 0.09 0.83 0.18 0.00 -1.18 0.00 0.00 179.01 178.93 2fr5 h ALA 25 N 0.99 1.42 -0.24 2.92 0.00 -0.88 -2.43 119.26 121.05 2fr5 h ALA 25 Ca 0.16 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2fr5 h ALA 25 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2fr5 h ALA 25 CO 0.01 0.44 0.18 -0.22 0.00 0.00 0.00 179.25 179.66 2fr5 h LYS 26 N 0.68 0.00 0.00 0.00 3.64 -1.16 -1.30 116.57 118.42 2fr5 h LYS 26 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2fr5 h LYS 26 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2fr5 h LYS 26 CO -0.01 0.00 -0.03 0.87 -2.27 0.00 0.00 179.45 178.01 2fr5 h LYS 27 N 0.00 0.00 -0.02 1.90 1.57 -1.47 -2.23 116.57 116.32 2fr5 h LYS 27 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2fr5 h LYS 27 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2fr5 h LYS 27 CO -0.00 0.03 -0.21 0.43 -0.57 0.00 0.00 179.45 179.13 2fr5 n SER 28 N -3.41 2.01 -4.55 0.86 7.64 -0.49 -4.98 113.62 110.70 2fr5 n SER 28 Ca -0.02 -1.52 -0.50 0.00 1.01 0.00 0.00 58.87 57.84 2fr5 n SER 28 Cb 0.14 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.28 -1.35 -3.51 -0.43 0.00 -0.84 -4.92 120.51 109.74 2fr5 n ALA 29 Ca 0.13 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.62 2fr5 n ALA 29 Cb 0.46 -1.94 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.34 3.46 -0.36 0.00 5.04 -0.43 -4.94 117.35 119.78 2fr5 s TYR 30 Ca 0.73 -1.95 0.14 0.00 -2.44 0.00 0.00 57.07 53.54 2fr5 s TYR 30 Cb -0.90 -3.54 0.40 0.00 0.35 0.00 0.00 41.96 38.26 2fr5 s TYR 30 CO 0.54 -0.98 0.92 0.00 -1.34 0.00 0.00 175.55 174.69 2fr5 h PRO 32 N 2.90 0.00 0.00 0.00 0.13 -1.96 0.96 132.00 134.04 2fr5 h PRO 32 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2fr5 h PRO 32 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2fr5 h PRO 32 CO 0.41 0.00 -0.47 1.88 -0.23 0.00 0.00 178.00 179.59 2fr5 h TYR 33 N 0.00 0.00 0.00 1.56 -1.99 -1.95 -3.39 116.97 111.20 2fr5 h TYR 33 Ca 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 2fr5 h TYR 33 Cb 0.42 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 2fr5 h TYR 33 CO 0.00 0.83 -0.98 0.66 -0.00 0.00 0.00 178.16 178.66 2fr5 h SER 34 N -1.00 0.00 -5.44 3.88 4.64 -1.97 -3.47 113.55 110.18 2fr5 h SER 34 Ca -0.11 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.80 2fr5 h SER 34 Cb 0.84 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 2fr5 h SER 34 CO -0.07 0.72 -0.63 0.54 -0.87 0.00 0.00 176.83 176.53 2fr5 n ARG 35 N -3.17 -4.42 -3.87 4.77 1.74 0.33 -4.95 116.66 107.09 2fr5 n ARG 35 Ca -0.03 0.62 -0.29 0.00 -0.77 0.00 0.00 57.85 57.38 2fr5 n ARG 35 Cb 0.85 -5.43 -0.13 0.00 -1.02 0.00 0.00 32.46 26.74 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 -3.10 3.06 0.25 -1.55 5.36 -1.26 -5.09 117.98 115.65 2fr5 s PHE 36 Ca 0.45 -3.10 -0.30 0.00 -0.96 0.00 0.00 56.93 53.03 2fr5 s PHE 36 Cb -0.23 -2.56 -0.09 0.00 -0.34 0.00 0.00 43.02 39.80 2fr5 s PHE 36 CO 0.56 -0.68 1.18 -2.14 -1.46 0.00 0.00 175.22 172.67 2fr5 s PRO 37 N -0.61 4.53 -0.02 10.12 0.02 -1.26 -4.95 135.00 142.82 2fr5 s PRO 37 Ca 0.21 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.16 2fr5 s PRO 37 Cb -0.17 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2fr5 s PRO 37 CO -0.07 0.02 -0.10 0.08 -0.33 0.00 0.00 177.00 176.61 2fr5 s VAL 38 N -0.72 0.83 0.20 3.83 1.01 -1.26 -3.94 120.40 120.36 2fr5 s VAL 38 Ca 0.49 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 62.18 2fr5 s VAL 38 Cb -0.34 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2fr5 s VAL 38 CO 0.41 0.25 -0.22 -0.83 0.00 0.00 0.00 175.10 174.71 2fr5 s GLY 39 N 0.11 1.70 0.00 4.51 0.00 -0.13 -2.35 107.32 111.16 2fr5 s GLY 39 Ca -0.02 -1.66 -0.10 0.00 0.00 0.00 0.00 44.72 42.94 2fr5 s GLY 39 CO 0.00 -1.70 0.19 0.00 0.00 0.00 0.00 173.10 171.59 2fr5 s ALA 40 N -1.88 -0.46 -0.06 3.20 0.00 -0.02 -0.29 121.76 122.26 2fr5 s ALA 40 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2fr5 s ALA 40 Cb -0.07 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2fr5 s ALA 40 CO 0.10 -0.25 0.13 0.00 0.00 0.00 0.00 175.76 175.74 2fr5 s ALA 41 N -1.57 -0.26 0.11 0.00 0.00 -0.30 -0.63 121.76 119.12 2fr5 s ALA 41 Ca -0.13 0.53 0.09 0.00 0.00 0.00 0.00 51.96 52.45 2fr5 s ALA 41 Cb -0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2fr5 s ALA 41 CO 0.01 -0.12 -0.21 -0.48 0.00 0.00 0.00 175.76 174.97 2fr5 s LEU 42 N 0.75 2.55 -0.20 0.00 0.05 0.80 -0.28 118.68 122.35 2fr5 s LEU 42 Ca -0.06 -0.61 -0.04 0.00 0.05 0.00 0.00 54.13 53.47 2fr5 s LEU 42 Cb -0.08 -1.43 -0.02 0.00 -2.05 0.00 0.00 46.19 42.62 2fr5 s LEU 42 CO -0.04 0.19 -0.03 -0.22 -0.55 0.00 0.00 176.35 175.71 2fr5 s LEU 43 N -2.01 3.05 0.69 1.48 2.96 0.65 -1.61 118.68 123.88 2fr5 s LEU 43 Ca 0.16 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 2fr5 s LEU 43 Cb -0.10 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.84 2fr5 s LEU 43 CO 0.08 0.03 1.04 0.42 -1.32 0.00 0.00 176.35 176.60 2fr5 s THR 44 N 1.18 3.17 0.31 3.68 -4.23 0.11 0.10 115.64 119.97 2fr5 s THR 44 Ca 0.03 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 2fr5 s THR 44 Cb -0.14 -3.34 0.31 0.00 1.34 0.00 0.00 72.50 70.66 2fr5 s THR 44 CO -0.00 -0.41 1.79 1.23 -0.54 0.00 0.00 174.62 176.69 2fr5 h GLY 45 N -0.56 1.68 -0.71 3.99 0.00 -1.31 -1.28 103.07 104.87 2fr5 h GLY 45 Ca -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2fr5 h GLY 45 CO 0.63 -0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.24 2fr5 n ASP 46 N -4.72 1.47 0.00 0.19 3.85 -1.26 -4.91 116.55 111.17 2fr5 n ASP 46 Ca 0.22 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.57 2fr5 n ASP 46 Cb 0.55 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 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 1.06 0.66 3.78 6.12 0.00 -0.48 -5.07 105.19 111.26 2fr5 n GLY 47 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.80 4.38 -0.14 1.61 3.52 -1.26 -4.78 118.95 121.48 2fr5 s ARG 48 Ca 0.00 1.52 -0.01 0.00 -0.13 0.00 0.00 55.73 57.10 2fr5 s ARG 48 Cb 0.00 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 2fr5 s ARG 48 CO 0.00 0.05 -0.09 0.42 -0.81 0.00 0.00 175.30 174.87 2fr5 s ILE 49 N -1.54 3.39 -0.05 4.11 1.01 -1.26 -0.71 121.20 126.14 2fr5 s ILE 49 Ca 0.53 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2fr5 s ILE 49 Cb -0.23 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 2fr5 s ILE 49 CO 0.29 0.51 -0.22 -0.36 0.00 0.00 0.00 174.94 175.16 2fr5 s PHE 50 N 0.32 2.49 0.38 3.97 0.40 -0.63 -4.96 117.98 119.95 2fr5 s PHE 50 Ca -0.08 -0.55 0.08 0.00 -0.60 0.00 0.00 56.93 55.78 2fr5 s PHE 50 Cb -0.15 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.71 2fr5 s PHE 50 CO 0.05 -0.10 -0.01 -1.54 0.70 0.00 0.00 175.22 174.31 2fr5 s SER 51 N -0.33 3.93 0.25 1.36 1.04 -1.26 -0.14 113.70 118.55 2fr5 s SER 51 Ca 0.02 -1.23 -0.22 0.00 0.48 0.00 0.00 55.95 54.99 2fr5 s SER 51 Cb -0.13 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.62 2fr5 s SER 51 CO 0.02 -0.35 0.77 -0.83 0.98 0.00 0.00 173.24 173.83 2fr5 s GLY 52 N -3.70 -0.14 0.10 7.32 0.00 0.20 -4.20 107.32 106.90 2fr5 s GLY 52 Ca 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 2fr5 s GLY 52 CO 0.18 -0.06 0.08 0.00 0.00 0.00 0.00 173.10 173.30 2fr5 s ASN 54 N -2.97 6.08 -0.25 0.00 4.22 -0.99 -3.75 114.94 117.28 2fr5 s ASN 54 Ca 0.15 2.35 -0.04 0.00 -2.14 0.00 0.00 52.86 53.18 2fr5 s ASN 54 Cb 0.07 -2.61 0.09 0.00 1.28 0.00 0.00 41.25 40.08 2fr5 s ASN 54 CO -0.04 -0.98 0.10 -0.63 -2.04 0.00 0.00 177.10 173.51 2fr5 s ILE 55 N -1.52 0.14 0.67 0.54 1.01 -0.42 -1.32 121.20 120.30 2fr5 s ILE 55 Ca 0.64 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 2fr5 s ILE 55 Cb -0.30 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.24 2fr5 s ILE 55 CO 0.36 -0.55 0.97 -1.61 0.00 0.00 0.00 174.94 174.11 2fr5 s GLU 56 N 2.01 2.34 0.04 2.79 2.02 0.37 -1.23 118.70 127.04 2fr5 s GLU 56 Ca 0.06 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.78 2fr5 s GLU 56 Cb -0.16 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 2fr5 s GLU 56 CO -0.25 -1.10 -0.07 1.21 0.02 0.00 0.00 175.26 175.07 2fr5 s ASN 57 N -4.48 0.81 0.36 -0.19 3.84 -1.26 -4.77 114.94 109.25 2fr5 s ASN 57 Ca 0.59 -0.49 0.11 0.00 0.21 0.00 0.00 52.86 53.28 2fr5 s ASN 57 Cb -0.11 0.03 0.88 0.00 -0.55 0.00 0.00 41.25 41.50 2fr5 s ASN 57 CO 0.44 -0.17 1.84 0.00 -2.79 0.00 0.00 177.10 176.42 2fr5 h ALA 58 N 4.69 1.92 -1.82 1.71 0.00 -1.99 -3.16 119.26 120.60 2fr5 h ALA 58 Ca -0.35 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.99 2fr5 h ALA 58 Cb 1.20 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2fr5 h ALA 58 CO 0.42 -0.21 0.57 0.00 0.00 0.00 0.00 179.25 180.03 2fr5 h TYR 60 N 9.29 0.17 0.00 0.00 0.99 -1.99 -0.19 116.97 125.23 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 0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.84 2fr5 h TYR 60 CO 0.91 -0.11 0.18 -1.35 -0.00 0.00 0.00 178.16 177.78 2fr5 h PRO 61 N 0.22 0.00 -0.26 4.88 0.11 -1.93 -2.35 132.00 132.66 2fr5 h PRO 61 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2fr5 h PRO 61 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 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 -2.48 2.55 -4.62 2.35 4.77 -0.08 -4.91 117.00 114.58 2fr5 n LEU 62 Ca -0.02 -1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 54.60 2fr5 n LEU 62 Cb 0.21 -0.17 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 2fr5 n LEU 62 CO 0.11 0.54 0.62 -0.83 -1.33 0.00 0.00 177.39 176.49 2fr5 s GLY 63 N -1.54 1.56 0.02 -0.72 0.00 -0.89 -4.60 107.32 101.15 2fr5 s GLY 63 Ca 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2fr5 s GLY 63 CO 0.29 0.13 -0.03 0.54 0.00 0.00 0.00 173.10 174.02 2fr5 s VAL 64 N -2.94 0.18 0.53 1.40 0.11 -0.36 -4.97 120.40 114.35 2fr5 s VAL 64 Ca 0.68 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 2fr5 s VAL 64 Cb -0.15 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2fr5 s VAL 64 CO 0.57 -0.33 1.00 0.00 -3.33 0.00 0.00 175.10 173.01 2fr5 h ALA 66 N 0.78 0.54 -0.69 0.00 0.00 -1.83 -1.04 119.26 117.01 2fr5 h ALA 66 Ca -0.47 0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2fr5 h ALA 66 Cb 1.19 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 2fr5 h ALA 66 CO 0.61 -0.39 0.40 0.93 0.00 0.00 0.00 179.25 180.80 2fr5 h GLU 67 N 0.11 0.73 -0.11 0.00 3.07 -1.89 -1.31 114.58 115.19 2fr5 h GLU 67 Ca 0.29 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.92 2fr5 h GLU 67 Cb 0.46 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2fr5 h GLU 67 CO -0.49 0.48 -0.73 0.00 -1.40 0.00 0.00 179.01 176.87 2fr5 h ARG 68 N 0.75 0.52 -0.50 2.33 3.08 -1.83 -0.66 114.38 118.06 2fr5 h ARG 68 Ca 0.30 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2fr5 h ARG 68 Cb 0.15 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2fr5 h ARG 68 CO -0.16 1.04 0.24 1.15 -1.07 0.00 0.00 179.97 181.17 2fr5 h THR 69 N 0.36 0.93 -0.23 2.04 2.02 -0.64 0.58 112.91 117.96 2fr5 h THR 69 Ca -0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2fr5 h THR 69 Cb 1.31 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2fr5 h THR 69 CO 0.13 0.08 0.09 0.00 0.37 0.00 0.00 175.52 176.20 2fr5 h ALA 70 N 1.28 0.30 -0.45 6.16 0.00 -1.10 -1.35 119.26 124.10 2fr5 h ALA 70 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2fr5 h ALA 70 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2fr5 h ALA 70 CO -0.17 -0.11 0.08 0.82 0.00 0.00 0.00 179.25 179.86 2fr5 h ILE 71 N 0.22 1.24 -0.61 0.00 2.04 -0.86 -1.75 117.51 117.79 2fr5 h ILE 71 Ca 0.08 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2fr5 h ILE 71 Cb 0.17 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2fr5 h ILE 71 CO -0.01 0.31 0.11 1.56 0.00 0.00 0.00 178.15 180.13 2fr5 h GLN 72 N 0.61 0.99 0.10 2.37 4.20 -0.85 -0.36 115.11 122.18 2fr5 h GLN 72 Ca 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2fr5 h GLN 72 Cb 0.38 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2fr5 h GLN 72 CO 0.01 0.90 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.80 2fr5 h LYS 73 N 0.93 -0.14 -0.06 1.46 3.64 -1.09 -1.38 116.57 119.95 2fr5 h LYS 73 Ca 0.19 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2fr5 h LYS 73 Cb 0.39 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2fr5 h LYS 73 CO 0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 179.45 176.97 2fr5 h ALA 74 N 0.74 -0.12 -0.68 5.00 0.00 -0.90 -2.77 119.26 120.52 2fr5 h ALA 74 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2fr5 h ALA 74 Cb 0.12 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2fr5 h ALA 74 CO 0.02 -0.62 0.44 0.82 0.00 0.00 0.00 179.25 179.91 2fr5 h ILE 75 N -0.21 1.13 -0.04 0.00 1.08 -0.96 -1.59 117.51 116.92 2fr5 h ILE 75 Ca 0.07 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2fr5 h ILE 75 Cb 0.31 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2fr5 h ILE 75 CO -0.18 0.16 0.06 0.77 -0.69 0.00 0.00 178.15 178.27 2fr5 h SER 76 N 0.87 0.00 -0.62 1.72 4.64 -0.98 0.45 113.55 119.63 2fr5 h SER 76 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 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 -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 2fr5 n GLU 77 N -3.56 2.68 -0.17 4.77 1.02 -0.69 -4.95 120.64 119.75 2fr5 n GLU 77 Ca -0.02 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 2fr5 n GLU 77 Cb 0.15 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2fr5 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fr5 n GLY 78 N 1.46 0.91 3.44 0.62 0.00 0.15 -5.07 105.19 106.69 2fr5 n GLY 78 Ca 0.22 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 3.07 0.00 1.61 1.51 -0.69 -4.93 117.35 115.91 2fr5 s TYR 79 Ca 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2fr5 s TYR 79 Cb 0.00 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2fr5 s TYR 79 CO 0.00 -0.35 0.69 1.63 -1.11 0.00 0.00 175.55 176.41 2fr5 n LYS 80 N 4.76 1.26 -3.65 -0.62 5.02 -1.26 -2.94 118.16 120.72 2fr5 n LYS 80 Ca -0.17 -0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 54.80 2fr5 n LYS 80 Cb 0.51 -0.81 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.47 5.54 -0.09 4.39 3.68 -1.26 -4.95 116.67 123.50 2fr5 s ASP 81 Ca 0.00 -1.45 0.02 0.00 2.13 0.00 0.00 52.55 53.26 2fr5 s ASP 81 Cb 0.00 -1.95 -0.02 0.00 -1.45 0.00 0.00 42.92 39.51 2fr5 s ASP 81 CO 0.00 -0.48 -0.16 -0.36 0.13 0.00 0.00 175.17 174.29 2fr5 s PHE 82 N 1.40 2.70 -0.24 -5.34 0.08 -1.26 -0.83 117.98 114.48 2fr5 s PHE 82 Ca 0.02 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.50 2fr5 s PHE 82 Cb -0.22 -1.74 -0.18 0.00 -0.57 0.00 0.00 43.02 40.31 2fr5 s PHE 82 CO 0.02 -0.14 -0.16 0.54 -0.10 0.00 0.00 175.22 175.39 2fr5 n ARG 83 N 3.13 0.66 -3.47 0.44 5.12 0.12 -4.78 116.66 117.87 2fr5 n ARG 83 Ca -0.18 0.17 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 2fr5 n ARG 83 Cb 0.52 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 2fr5 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2fr5 s ALA 84 N -2.52 -1.58 -0.02 7.54 0.00 -1.16 -2.14 121.76 121.88 2fr5 s ALA 84 Ca -0.33 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 2fr5 s ALA 84 Cb 0.09 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.81 2fr5 s ALA 84 CO 0.62 -0.63 0.03 -1.50 0.00 0.00 0.00 175.76 174.28 2fr5 s ILE 85 N -2.91 -0.04 -0.04 0.00 2.07 -0.05 -0.25 121.20 119.98 2fr5 s ILE 85 Ca -0.03 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 2fr5 s ILE 85 Cb -0.01 -0.07 -0.03 0.00 0.13 0.00 0.00 42.46 42.49 2fr5 s ILE 85 CO -0.05 0.05 -0.07 0.00 -1.91 0.00 0.00 174.94 172.96 2fr5 s ALA 86 N 0.67 2.99 -0.03 1.50 0.00 0.61 -0.19 121.76 127.31 2fr5 s ALA 86 Ca -0.06 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2fr5 s ALA 86 Cb -0.08 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2fr5 s ALA 86 CO -0.02 0.59 -0.21 0.42 0.00 0.00 0.00 175.76 176.54 2fr5 s ILE 87 N -0.89 1.73 0.03 0.00 1.01 -0.23 -1.14 121.20 121.71 2fr5 s ILE 87 Ca 0.14 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2fr5 s ILE 87 Cb -0.11 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 2fr5 s ILE 87 CO 0.04 0.49 -0.15 -0.44 0.00 0.00 0.00 174.94 174.88 2fr5 s SER 88 N -0.27 1.75 0.30 3.58 0.01 0.60 -2.76 113.70 116.91 2fr5 s SER 88 Ca 0.02 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2fr5 s SER 88 Cb -0.11 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2fr5 s SER 88 CO 0.01 0.07 0.36 -1.54 0.41 0.00 0.00 173.24 172.56 2fr5 n SER 89 N 2.05 -0.98 -0.75 2.44 3.41 -1.26 -0.95 113.62 117.58 2fr5 n SER 89 Ca -0.17 -2.78 0.13 0.00 -0.26 0.00 0.00 58.87 55.78 2fr5 n SER 89 Cb 0.55 1.96 0.31 0.00 -0.26 0.00 0.00 64.21 66.76 2fr5 n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fr5 n ASP 90 N -1.74 2.31 -4.62 4.04 8.00 -1.25 -4.46 116.55 118.82 2fr5 n ASP 90 Ca 0.03 -1.77 -0.43 0.00 0.71 0.00 0.00 54.79 53.33 2fr5 n ASP 90 Cb 0.53 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2fr5 n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2fr5 s LEU 91 N -1.91 3.84 0.15 0.64 1.43 -1.26 -4.89 118.68 116.68 2fr5 s LEU 91 Ca 0.33 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 2fr5 s LEU 91 Cb 0.20 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 2fr5 s LEU 91 CO 0.31 -1.37 1.34 1.56 0.23 0.00 0.00 176.35 178.42 2fr5 h GLN 92 N 11.44 0.22 -0.00 1.70 1.08 -1.99 -3.36 115.11 124.19 2fr5 h GLN 92 Ca -0.36 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.59 2fr5 h GLN 92 Cb 1.17 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2fr5 h GLN 92 CO 1.00 0.99 -0.76 0.39 -0.95 0.00 0.00 178.83 179.50 2fr5 n GLU 93 N -3.64 0.39 -4.60 1.46 -0.58 -1.26 -4.77 120.64 107.64 2fr5 n GLU 93 Ca -0.04 -0.31 -0.22 0.00 -0.42 0.00 0.00 57.16 56.17 2fr5 n GLU 93 Cb 0.83 -1.49 -0.15 0.00 -0.57 0.00 0.00 31.44 30.06 2fr5 n GLU 93 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2fr5 s GLU 94 N -2.83 1.11 0.23 3.49 0.41 -1.26 -5.12 118.70 114.74 2fr5 s GLU 94 Ca 0.12 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.83 2fr5 s GLU 94 Cb 0.17 -1.09 -0.09 0.00 -1.78 0.00 0.00 34.13 31.34 2fr5 s GLU 94 CO 0.75 0.29 1.37 -0.06 -0.49 0.00 0.00 175.26 177.13 2fr5 s PHE 95 N -0.42 3.13 -0.20 1.61 0.40 -1.26 -4.65 117.98 116.59 2fr5 s PHE 95 Ca 0.05 1.13 -0.29 0.00 -0.60 0.00 0.00 56.93 57.22 2fr5 s PHE 95 Cb -0.06 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.76 2fr5 s PHE 95 CO -0.00 -2.27 1.02 -1.50 0.70 0.00 0.00 175.22 173.16 2fr5 s ILE 96 N -0.00 4.72 -0.05 0.64 1.10 -0.59 -4.89 121.20 122.12 2fr5 s ILE 96 Ca 0.58 2.00 0.01 0.00 -0.51 0.00 0.00 60.65 62.73 2fr5 s ILE 96 Cb -0.39 -4.30 -0.03 0.00 0.15 0.00 0.00 42.46 37.89 2fr5 s ILE 96 CO 0.41 -0.12 -0.05 -0.55 -2.11 0.00 0.00 174.94 172.52 2fr5 s SER 97 N 1.18 4.77 0.26 4.50 0.15 -1.26 -4.06 113.70 119.24 2fr5 s SER 97 Ca 0.44 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.78 2fr5 s SER 97 Cb -0.16 -1.21 -0.09 0.00 -1.71 0.00 0.00 66.02 62.85 2fr5 s SER 97 CO 0.09 0.34 1.25 -2.16 1.20 0.00 0.00 173.24 173.96 2fr5 s PRO 98 N -1.01 4.44 1.02 5.44 0.04 -1.26 -5.01 135.00 138.67 2fr5 s PRO 98 Ca 0.14 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2fr5 s PRO 98 Cb -0.11 -3.16 0.20 0.00 0.04 0.00 0.00 34.50 31.47 2fr5 s PRO 98 CO 0.04 -0.11 1.08 0.00 0.04 0.00 0.00 177.00 178.04 2fr5 h GLY 100 N -2.10 0.46 0.94 0.00 0.00 -1.98 -1.66 103.07 98.74 2fr5 h GLY 100 Ca -0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 2fr5 h GLY 100 CO 0.51 0.25 0.16 0.00 0.00 0.00 0.00 176.54 177.46 2fr5 h ALA 101 N 1.57 0.49 -0.71 3.60 0.00 -1.99 -1.17 119.26 121.05 2fr5 h ALA 101 Ca 0.09 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2fr5 h ALA 101 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2fr5 h ALA 101 CO 0.01 0.08 0.45 0.00 0.00 0.00 0.00 179.25 179.80 2fr5 h ARG 103 N 0.89 0.92 -0.55 0.00 3.08 -1.08 0.27 114.38 117.91 2fr5 h ARG 103 Ca 0.28 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 2fr5 h ARG 103 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2fr5 h ARG 103 CO -0.10 0.61 0.05 0.37 -1.07 0.00 0.00 179.97 179.83 2fr5 h GLN 104 N 0.95 0.90 -0.30 0.04 5.75 -0.83 -0.04 115.11 121.58 2fr5 h GLN 104 Ca 0.29 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 2fr5 h GLN 104 Cb -0.03 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.41 2fr5 h GLN 104 CO -0.09 0.87 -0.28 0.28 -2.65 0.00 0.00 178.83 176.96 2fr5 h VAL 105 N 0.85 1.30 -0.49 2.39 2.07 -0.79 -2.58 116.25 118.99 2fr5 h VAL 105 Ca 0.17 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.33 2fr5 h VAL 105 Cb 0.44 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2fr5 h VAL 105 CO 0.02 0.46 0.08 0.24 0.02 0.00 0.00 177.57 178.39 2fr5 h MET 106 N 0.46 0.21 0.00 1.57 2.86 -0.75 -2.33 114.93 116.95 2fr5 h MET 106 Ca 0.05 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2fr5 h MET 106 Cb 0.84 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2fr5 h MET 106 CO 0.07 0.14 -0.13 -0.09 1.06 0.00 0.00 176.91 177.95 2fr5 h ARG 107 N 0.21 0.00 -0.23 1.72 1.12 -0.84 -1.20 114.38 115.16 2fr5 h ARG 107 Ca 0.25 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.19 2fr5 h ARG 107 Cb 0.34 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2fr5 h ARG 107 CO -0.34 0.13 0.22 1.49 -3.11 0.00 0.00 179.97 178.37 2fr5 h GLU 108 N 0.00 0.00 -0.21 0.20 4.57 -1.01 -1.94 114.58 116.18 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 0.30 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2fr5 h GLU 108 CO 0.02 0.00 -0.04 1.19 -1.18 0.00 0.00 179.01 179.00 2fr5 n PHE 109 N -3.98 0.73 0.00 0.92 3.72 -0.46 -4.97 117.46 113.42 2fr5 n PHE 109 Ca 0.03 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 2fr5 n PHE 109 Cb 0.36 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2fr5 n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fr5 n GLY 110 N -0.90 3.27 0.00 1.37 0.00 -0.73 -4.71 105.19 103.50 2fr5 n GLY 110 Ca 0.23 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.12 0.00 1.15 2.61 -2.24 -1.26 -4.06 114.28 109.35 2fr5 n THR 111 Ca 0.00 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 2fr5 n THR 111 Cb 0.00 0.46 0.48 0.00 -2.10 0.00 0.00 70.33 69.17 2fr5 n THR 111 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fr5 n ASP 112 N -1.70 0.39 -4.91 3.42 8.00 -1.26 -0.65 116.55 119.84 2fr5 n ASP 112 Ca -0.01 -0.19 -0.27 0.00 0.71 0.00 0.00 54.79 55.03 2fr5 n ASP 112 Cb 0.25 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.30 2fr5 n ASP 112 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2fr5 s TRP 113 N -2.80 3.36 -0.06 1.24 1.48 -1.26 -4.79 118.94 116.11 2fr5 s TRP 113 Ca 0.18 0.69 -0.13 0.00 -1.06 0.00 0.00 56.10 55.79 2fr5 s TRP 113 Cb 0.19 -2.58 -0.05 0.00 -1.16 0.00 0.00 33.47 29.87 2fr5 s TRP 113 CO 0.57 -0.63 0.32 0.00 -4.06 0.00 0.00 176.95 173.15 2fr5 s ALA 114 N -2.89 3.73 -0.23 2.67 0.00 -0.91 -1.29 121.76 122.84 2fr5 s ALA 114 Ca 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 2fr5 s ALA 114 Cb -0.10 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2fr5 s ALA 114 CO 0.45 0.46 -0.10 0.08 0.00 0.00 0.00 175.76 176.64 2fr5 s VAL 115 N -0.82 2.65 -0.43 0.00 1.01 0.78 -0.87 120.40 122.72 2fr5 s VAL 115 Ca 0.20 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2fr5 s VAL 115 Cb -0.15 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2fr5 s VAL 115 CO 0.09 0.30 0.43 -0.31 0.00 0.00 0.00 175.10 175.61 2fr5 s TYR 116 N 1.31 3.18 -0.39 5.22 2.02 0.73 -1.85 117.35 127.56 2fr5 s TYR 116 Ca 0.01 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 2fr5 s TYR 116 Cb -0.16 -2.94 0.01 0.00 -0.40 0.00 0.00 41.96 38.48 2fr5 s TYR 116 CO -0.07 -0.73 0.31 -1.64 -1.57 0.00 0.00 175.55 171.85 2fr5 s MET 117 N 2.07 3.12 0.33 -0.62 -1.94 0.10 -1.07 119.30 121.28 2fr5 s MET 117 Ca 0.11 -0.89 0.07 0.00 -1.71 0.00 0.00 55.69 53.27 2fr5 s MET 117 Cb -0.18 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.69 2fr5 s MET 117 CO 0.12 -0.69 0.27 0.95 -0.01 0.00 0.00 175.02 175.66 2fr5 s THR 118 N 1.76 3.58 0.31 2.05 -4.23 -1.11 -0.96 115.64 117.03 2fr5 s THR 118 Ca 0.06 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 2fr5 s THR 118 Cb -0.18 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 2fr5 s THR 118 CO 0.11 -0.19 0.17 -0.54 -0.54 0.00 0.00 174.62 173.63 2fr5 s LYS 119 N -3.97 2.59 0.61 3.99 1.02 0.15 -1.54 119.74 122.59 2fr5 s LYS 119 Ca 0.40 -1.33 0.30 0.00 0.02 0.00 0.00 55.97 55.35 2fr5 s LYS 119 Cb -0.06 -2.35 1.66 0.00 -0.52 0.00 0.00 37.83 36.56 2fr5 s LYS 119 CO 0.26 0.22 2.04 -1.35 -0.92 0.00 0.00 175.35 175.60 2fr5 h PRO 120 N 1.50 0.00 -0.00 -1.68 0.11 -1.78 -1.49 132.00 128.66 2fr5 h PRO 120 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.61 0.00 -0.09 -0.40 -0.21 0.00 0.00 178.00 177.90 2fr5 n ASP 121 N -3.57 0.19 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.79 2fr5 n ASP 121 Ca 0.02 -0.05 0.00 0.00 -0.71 0.00 0.00 54.79 54.06 2fr5 n ASP 121 Cb 0.40 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 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 1.39 0.24 3.78 6.12 0.00 -0.56 -5.07 105.19 111.08 2fr5 n GLY 122 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.35 0.17 2.61 -4.23 -1.26 -4.85 115.64 109.43 2fr5 s THR 123 Ca 0.00 0.63 -0.20 0.00 -1.18 0.00 0.00 61.69 60.94 2fr5 s THR 123 Cb 0.00 -3.16 0.05 0.00 1.34 0.00 0.00 72.50 70.73 2fr5 s THR 123 CO 0.00 -0.38 0.55 0.72 -0.54 0.00 0.00 174.62 174.97 2fr5 s PHE 124 N -2.35 -0.33 -0.09 3.99 -0.71 -1.26 -0.68 117.98 116.55 2fr5 s PHE 124 Ca 0.66 0.04 0.04 0.00 -1.04 0.00 0.00 56.93 56.64 2fr5 s PHE 124 Cb -0.20 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.07 2fr5 s PHE 124 CO 0.40 -0.87 -0.22 0.08 -1.34 0.00 0.00 175.22 173.28 2fr5 s VAL 125 N -3.81 2.32 -0.13 -2.49 1.01 -0.14 -4.96 120.40 112.20 2fr5 s VAL 125 Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2fr5 s VAL 125 Cb -0.01 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2fr5 s VAL 125 CO -0.09 0.56 -0.09 0.54 0.00 0.00 0.00 175.10 176.02 2fr5 s VAL 126 N 0.08 3.40 0.06 2.92 0.11 -1.26 -0.73 120.40 124.99 2fr5 s VAL 126 Ca -0.10 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2fr5 s VAL 126 Cb -0.16 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.22 2fr5 s VAL 126 CO 0.06 0.52 -0.06 -0.13 -3.33 0.00 0.00 175.10 172.16 2fr5 s ARG 127 N 0.24 0.62 0.66 1.54 1.81 -0.77 -4.97 118.95 118.08 2fr5 s ARG 127 Ca -0.06 -1.00 -0.11 0.00 -1.72 0.00 0.00 55.73 52.84 2fr5 s ARG 127 Cb -0.15 -0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.20 2fr5 s ARG 127 CO 0.04 -0.01 1.05 0.95 -0.68 0.00 0.00 175.30 176.65 2fr5 s THR 128 N -2.52 4.28 0.23 0.02 -4.23 -1.26 -0.15 115.64 112.00 2fr5 s THR 128 Ca -0.01 0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 2fr5 s THR 128 Cb -0.02 -3.62 0.18 0.00 1.34 0.00 0.00 72.50 70.37 2fr5 s THR 128 CO -0.03 -0.97 1.76 0.58 -0.54 0.00 0.00 174.62 175.42 2fr5 h VAL 129 N -0.54 0.78 -0.54 2.29 2.07 -1.12 -1.74 116.25 117.46 2fr5 h VAL 129 Ca -0.44 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2fr5 h VAL 129 Cb 1.21 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2fr5 h VAL 129 CO 0.60 0.09 0.20 -0.61 0.02 0.00 0.00 177.57 177.87 2fr5 h GLN 130 N 0.51 0.37 -0.20 1.57 5.75 -1.17 -0.76 115.11 121.18 2fr5 h GLN 130 Ca 0.35 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.78 2fr5 h GLN 130 Cb 0.43 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2fr5 h GLN 130 CO -0.31 0.25 -0.11 0.93 -2.65 0.00 0.00 178.83 176.93 2fr5 h GLU 131 N 0.38 0.33 0.00 1.69 5.08 -1.69 -2.59 114.58 117.79 2fr5 h GLU 131 Ca 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2fr5 h GLU 131 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fr5 h GLU 131 CO -0.27 0.45 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.78 2fr5 h LEU 132 N 0.31 0.00 -5.87 1.33 3.38 -0.57 -3.39 115.31 110.49 2fr5 h LEU 132 Ca 0.06 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 2fr5 h LEU 132 Cb 0.40 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.79 2fr5 h LEU 132 CO 0.02 0.04 -1.05 -0.11 0.09 0.00 0.00 178.44 177.42 2fr5 n LEU 133 N -2.42 -0.01 -4.80 1.67 7.94 -0.36 -5.06 117.00 113.96 2fr5 n LEU 133 Ca 0.04 -4.62 -0.31 0.00 -1.11 0.00 0.00 56.01 50.00 2fr5 n LEU 133 Cb 0.47 0.69 0.06 0.00 0.53 0.00 0.00 43.42 45.17 2fr5 n LEU 133 CO 0.34 2.13 0.71 -2.16 -1.11 0.00 0.00 177.39 177.30 2fr5 s PRO 134 N -1.32 2.77 -1.45 1.96 0.04 -1.00 -3.57 135.00 132.43 2fr5 s PRO 134 Ca 0.36 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 2fr5 s PRO 134 Cb 0.23 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.82 2fr5 s PRO 134 CO -0.11 -1.24 0.35 0.00 0.04 0.00 0.00 177.00 176.04 2fr5 n ALA 135 N -3.01 -1.97 -1.80 8.56 0.00 -1.26 -4.84 120.51 116.18 2fr5 n ALA 135 Ca 0.08 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2fr5 n ALA 135 Cb 0.53 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.32 6.82 0.52 0.00 1.04 -1.23 -5.04 113.70 111.48 2fr5 s SER 136 Ca 0.04 1.86 -0.21 0.00 0.48 0.00 0.00 55.95 58.12 2fr5 s SER 136 Cb -0.02 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 2fr5 s SER 136 CO 0.91 -0.45 1.21 0.12 0.98 0.00 0.00 173.24 176.02 2fr5 s PHE 137 N -1.90 2.62 0.11 5.02 5.36 -1.26 -5.03 117.98 122.90 2fr5 s PHE 137 Ca 0.60 1.50 -0.19 0.00 -0.96 0.00 0.00 56.93 57.88 2fr5 s PHE 137 Cb -0.16 -3.49 0.07 0.00 -0.34 0.00 0.00 43.02 39.10 2fr5 s PHE 137 CO 0.20 -1.98 0.89 0.41 -1.46 0.00 0.00 175.22 173.29 2fr5 n GLY 138 N 0.49 0.63 0.51 13.12 0.00 -1.26 -4.99 105.19 113.69 2fr5 n GLY 138 Ca 0.10 -1.09 0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 0.04 0.00 1.61 0.11 -1.93 -0.42 132.00 131.40 2fr5 h PRO 139 Ca -0.21 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 2fr5 h PRO 139 Cb 0.98 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2fr5 h PRO 139 CO 0.29 0.02 -0.11 0.93 -0.21 0.00 0.00 178.00 178.92 2fr5 h GLU 140 N 0.04 0.00 0.00 1.05 4.39 -1.97 -2.08 114.58 116.00 2fr5 h GLU 140 Ca 0.54 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 2fr5 h GLU 140 Cb 2.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.74 2fr5 h GLU 140 CO -0.03 0.11 -0.10 -0.44 -1.16 0.00 0.00 179.01 177.39 2fr5 h ASP 141 N 0.00 0.00 -0.27 1.42 3.32 -1.47 -2.87 116.42 116.55 2fr5 h ASP 141 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2fr5 h ASP 141 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2fr5 h ASP 141 CO 0.01 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.81 2fr5 n LEU 142 N -3.81 2.84 0.00 1.55 4.77 -0.79 -5.09 117.00 116.47 2fr5 n LEU 142 Ca -0.02 -1.53 0.10 0.00 -0.03 0.00 0.00 56.01 54.52 2fr5 n LEU 142 Cb 0.19 -0.17 0.58 0.00 -2.33 0.00 0.00 43.42 41.69 2fr5 n LEU 142 CO 0.30 0.63 0.77 0.00 -1.33 0.00 0.00 177.39 177.77