#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr6 n GLU 11 N 0.00 0.06 -1.35 1.45 0.28 -1.26 -4.75 120.64 115.07 2fr6 n GLU 11 Ca 0.00 -0.33 -0.35 0.00 -0.16 0.00 0.00 57.16 56.32 2fr6 n GLU 11 Cb 0.00 -0.64 0.10 0.00 1.43 0.00 0.00 31.44 32.33 2fr6 n GLU 11 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2fr6 n PRO 12 N -0.04 0.53 -0.17 3.44 -0.02 -1.26 -4.67 135.00 132.80 2fr6 n PRO 12 Ca 0.00 0.24 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2fr6 n PRO 12 Cb 0.26 -2.36 0.06 0.00 -0.02 0.00 0.00 33.50 31.44 2fr6 n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fr6 h GLU 13 N -0.31 0.07 0.00 -0.52 4.81 -2.00 -0.69 114.58 115.95 2fr6 h GLU 13 Ca -0.48 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2fr6 h GLU 13 Cb 1.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2fr6 h GLU 13 CO 0.48 0.05 -0.14 1.12 -0.73 0.00 0.00 179.01 179.79 2fr6 h HIS 14 N 0.07 0.00 -0.15 0.92 2.07 -1.99 -1.14 115.15 114.93 2fr6 h HIS 14 Ca 0.27 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.70 2fr6 h HIS 14 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 2fr6 h HIS 14 CO -0.37 0.14 -0.28 0.28 -3.07 0.00 0.00 177.93 174.63 2fr6 h VAL 15 N 0.00 1.36 -0.59 6.12 2.07 -1.49 -1.44 116.25 122.28 2fr6 h VAL 15 Ca -0.00 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2fr6 h VAL 15 Cb 0.28 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2fr6 h VAL 15 CO 0.02 0.46 0.34 1.56 0.02 0.00 0.00 177.57 179.97 2fr6 h GLN 16 N 0.07 0.64 -0.50 1.57 4.20 -0.71 -0.98 115.11 119.39 2fr6 h GLN 16 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2fr6 h GLN 16 Cb 0.86 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2fr6 h GLN 16 CO 0.06 0.43 0.32 0.00 -0.67 0.00 0.00 178.83 178.97 2fr6 h ARG 17 N 0.66 0.67 -0.26 1.46 3.08 -1.15 -1.83 114.38 117.02 2fr6 h ARG 17 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2fr6 h ARG 17 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2fr6 h ARG 17 CO -0.13 0.46 0.16 -0.07 -1.07 0.00 0.00 179.97 179.32 2fr6 h LEU 18 N 0.68 0.30 -0.48 3.04 3.38 -0.63 -1.49 115.31 120.11 2fr6 h LEU 18 Ca 0.18 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2fr6 h LEU 18 Cb -0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2fr6 h LEU 18 CO -0.04 0.24 0.16 -0.07 0.09 0.00 0.00 178.44 178.81 2fr6 h LEU 19 N 0.34 0.69 -0.33 1.67 3.38 -1.04 -1.30 115.31 118.72 2fr6 h LEU 19 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2fr6 h LEU 19 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2fr6 h LEU 19 CO -0.02 0.71 -0.02 -0.07 0.09 0.00 0.00 178.44 179.13 2fr6 h LEU 20 N 0.64 0.59 -0.45 1.67 4.07 -1.27 -1.46 115.31 119.09 2fr6 h LEU 20 Ca 0.16 -0.32 -0.06 0.00 0.08 0.00 0.00 57.88 57.73 2fr6 h LEU 20 Cb 0.26 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2fr6 h LEU 20 CO -0.01 0.77 0.03 0.28 -1.08 0.00 0.00 178.44 178.44 2fr6 h SER 21 N 0.39 0.74 -0.37 -0.43 0.02 -1.24 -0.72 113.55 111.94 2fr6 h SER 21 Ca 0.09 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2fr6 h SER 21 Cb 0.48 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2fr6 h SER 21 CO 0.02 0.85 0.23 -1.28 -1.14 0.00 0.00 176.83 175.51 2fr6 h SER 22 N 0.62 0.43 -0.53 3.07 0.87 -1.20 0.15 113.55 116.95 2fr6 h SER 22 Ca 0.13 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2fr6 h SER 22 Cb 0.44 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2fr6 h SER 22 CO 0.02 0.33 0.23 -0.09 -0.53 0.00 0.00 176.83 176.78 2fr6 h ARG 23 N 0.49 0.78 -0.62 2.24 2.43 -1.13 -2.93 114.38 115.64 2fr6 h ARG 23 Ca 0.13 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2fr6 h ARG 23 Cb -0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2fr6 h ARG 23 CO -0.03 0.67 0.04 1.49 -1.51 0.00 0.00 179.97 180.63 2fr6 h GLU 24 N 0.71 1.07 0.00 0.20 4.57 -0.79 -2.98 114.58 117.36 2fr6 h GLU 24 Ca 0.18 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2fr6 h GLU 24 Cb 0.17 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2fr6 h GLU 24 CO -0.02 1.02 -0.03 0.00 -1.18 0.00 0.00 179.01 178.80 2fr6 h ALA 25 N 1.04 1.92 -0.09 2.92 0.00 -0.54 -2.15 119.26 122.37 2fr6 h ALA 25 Ca 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2fr6 h ALA 25 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2fr6 h ALA 25 CO 0.02 0.04 0.10 -0.22 0.00 0.00 0.00 179.25 179.19 2fr6 h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.37 -2.16 116.57 116.67 2fr6 h LYS 26 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2fr6 h LYS 26 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2fr6 h LYS 26 CO 0.00 0.00 -0.12 0.87 -2.27 0.00 0.00 179.45 177.93 2fr6 h LYS 27 N 0.00 0.00 -0.01 1.90 1.57 -1.54 -2.75 116.57 115.74 2fr6 h LYS 27 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2fr6 h LYS 27 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2fr6 h LYS 27 CO -0.00 0.12 -0.28 0.43 -0.57 0.00 0.00 179.45 179.16 2fr6 n SER 28 N -3.56 0.84 -4.54 0.86 7.64 -0.81 -4.97 113.62 109.07 2fr6 n SER 28 Ca -0.01 -0.71 -0.46 0.00 1.01 0.00 0.00 58.87 58.70 2fr6 n SER 28 Cb 0.26 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 2fr6 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr6 n ALA 29 N -0.86 -0.96 -3.76 -0.43 0.00 -1.04 -4.94 120.51 108.53 2fr6 n ALA 29 Ca 0.11 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 2fr6 n ALA 29 Cb 0.34 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 2fr6 n ALA 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2fr6 s TYR 30 N -0.92 3.44 -0.38 0.00 5.04 -0.38 -4.95 117.35 119.20 2fr6 s TYR 30 Ca 0.62 -2.69 0.12 0.00 -2.44 0.00 0.00 57.07 52.68 2fr6 s TYR 30 Cb -0.78 -3.17 0.36 0.00 0.35 0.00 0.00 41.96 38.72 2fr6 s TYR 30 CO 0.58 -0.86 0.76 0.00 -1.34 0.00 0.00 175.55 174.69 2fr6 h PRO 32 N 3.00 0.00 0.03 0.00 0.13 -1.96 -0.48 132.00 132.72 2fr6 h PRO 32 Ca 0.08 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.99 2fr6 h PRO 32 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 2fr6 h PRO 32 CO 0.52 0.00 -1.18 1.88 -0.23 0.00 0.00 178.00 178.99 2fr6 h TYR 33 N 0.00 0.12 0.00 1.56 -1.99 -1.96 -3.40 116.97 111.30 2fr6 h TYR 33 Ca 0.00 -0.09 -0.09 0.00 2.00 0.00 0.00 58.73 60.55 2fr6 h TYR 33 Cb 0.39 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 2fr6 h TYR 33 CO 0.00 1.46 -1.38 -1.13 -0.00 0.00 0.00 178.16 177.11 2fr6 n SER 34 N -4.28 0.70 -2.86 3.88 3.41 -1.23 -4.94 113.62 108.29 2fr6 n SER 34 Ca -0.28 0.29 -0.21 0.00 -0.26 0.00 0.00 58.87 58.42 2fr6 n SER 34 Cb 0.72 0.55 0.01 0.00 -0.26 0.00 0.00 64.21 65.23 2fr6 n SER 34 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2fr6 n ARG 35 N -2.72 -3.47 -3.90 4.33 5.12 -0.19 -4.92 116.66 110.90 2fr6 n ARG 35 Ca -0.06 0.79 -0.29 0.00 -1.93 0.00 0.00 57.85 56.35 2fr6 n ARG 35 Cb 0.71 -5.54 -0.13 0.00 -1.16 0.00 0.00 32.46 26.34 2fr6 n ARG 35 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2fr6 s PHE 36 N -3.00 3.14 0.25 -1.55 5.36 -1.26 -5.09 117.98 115.83 2fr6 s PHE 36 Ca 0.21 -3.14 -0.30 0.00 -0.96 0.00 0.00 56.93 52.74 2fr6 s PHE 36 Cb -0.10 -2.66 -0.09 0.00 -0.34 0.00 0.00 43.02 39.83 2fr6 s PHE 36 CO 0.26 -0.69 1.17 -1.25 -1.46 0.00 0.00 175.22 173.24 2fr6 s PRO 37 N -0.57 4.54 -0.02 10.12 0.04 -1.26 -4.95 135.00 142.90 2fr6 s PRO 37 Ca 0.20 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2fr6 s PRO 37 Cb -0.19 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2fr6 s PRO 37 CO -0.05 0.04 -0.04 0.08 0.04 0.00 0.00 177.00 177.08 2fr6 s VAL 38 N -0.75 0.36 0.14 -0.36 1.01 -1.26 -4.02 120.40 115.52 2fr6 s VAL 38 Ca 0.48 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.44 2fr6 s VAL 38 Cb -0.33 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2fr6 s VAL 38 CO 0.41 0.14 -0.21 -0.83 0.00 0.00 0.00 175.10 174.61 2fr6 s GLY 39 N 0.38 1.39 0.01 4.51 0.00 -0.56 -2.61 107.32 110.44 2fr6 s GLY 39 Ca -0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.24 2fr6 s GLY 39 CO -0.00 -1.41 0.07 0.00 0.00 0.00 0.00 173.10 171.75 2fr6 s ALA 40 N -1.47 -0.15 -0.07 3.20 0.00 0.66 -0.37 121.76 123.57 2fr6 s ALA 40 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 2fr6 s ALA 40 Cb -0.08 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2fr6 s ALA 40 CO 0.06 -0.19 0.03 0.00 0.00 0.00 0.00 175.76 175.66 2fr6 s ALA 41 N -1.39 0.53 -0.22 0.00 0.00 -0.67 -0.27 121.76 119.75 2fr6 s ALA 41 Ca -0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 2fr6 s ALA 41 Cb -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2fr6 s ALA 41 CO 0.01 -0.52 0.10 -1.17 0.00 0.00 0.00 175.76 174.18 2fr6 s LEU 42 N 2.04 3.88 -0.26 0.00 2.96 0.18 -1.24 118.68 126.25 2fr6 s LEU 42 Ca 0.05 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 2fr6 s LEU 42 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2fr6 s LEU 42 CO -0.05 0.09 0.14 -0.22 -1.32 0.00 0.00 176.35 174.99 2fr6 s LEU 43 N 0.86 3.80 0.75 -0.68 2.96 0.17 -0.58 118.68 125.96 2fr6 s LEU 43 Ca 0.05 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 2fr6 s LEU 43 Cb -0.13 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.63 2fr6 s LEU 43 CO 0.03 -0.02 1.05 0.42 -1.32 0.00 0.00 176.35 176.51 2fr6 s THR 44 N 1.56 2.21 0.29 3.68 -4.23 0.32 -0.13 115.64 119.35 2fr6 s THR 44 Ca 0.07 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 2fr6 s THR 44 Cb -0.15 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.06 2fr6 s THR 44 CO 0.07 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.31 2fr6 h GLY 45 N -0.73 1.11 -0.77 3.99 0.00 -1.46 -2.62 103.07 102.59 2fr6 h GLY 45 Ca -0.42 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2fr6 h GLY 45 CO 0.49 0.45 0.00 2.09 0.00 0.00 0.00 176.54 179.57 2fr6 n ASP 46 N -4.38 1.24 0.00 0.19 3.85 -1.26 -4.90 116.55 111.29 2fr6 n ASP 46 Ca 0.08 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 2fr6 n ASP 46 Cb 0.07 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 2fr6 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr6 n GLY 47 N 0.91 0.52 3.79 6.12 0.00 -0.99 -5.08 105.19 110.46 2fr6 n GLY 47 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2fr6 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fr6 s ARG 48 N -0.87 4.48 -0.11 1.61 3.52 -1.26 -4.79 118.95 121.53 2fr6 s ARG 48 Ca 0.00 1.26 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 2fr6 s ARG 48 Cb 0.00 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 2fr6 s ARG 48 CO 0.00 0.20 -0.18 0.42 -0.81 0.00 0.00 175.30 174.93 2fr6 s ILE 49 N -1.77 2.67 -0.14 4.11 1.01 -1.26 -0.52 121.20 125.31 2fr6 s ILE 49 Ca 0.53 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2fr6 s ILE 49 Cb -0.16 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 2fr6 s ILE 49 CO 0.21 0.55 -0.16 -0.36 0.00 0.00 0.00 174.94 175.17 2fr6 s PHE 50 N 0.19 2.75 0.30 3.97 0.40 0.26 -4.92 117.98 120.93 2fr6 s PHE 50 Ca -0.10 -0.94 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 2fr6 s PHE 50 Cb -0.16 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2fr6 s PHE 50 CO 0.06 -0.39 0.41 -1.54 0.70 0.00 0.00 175.22 174.45 2fr6 s SER 51 N 0.61 6.00 0.19 1.36 1.04 -1.26 0.48 113.70 122.12 2fr6 s SER 51 Ca -0.09 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 2fr6 s SER 51 Cb -0.16 -1.41 0.05 0.00 0.10 0.00 0.00 66.02 64.60 2fr6 s SER 51 CO 0.03 -0.30 0.60 -0.83 0.98 0.00 0.00 173.24 173.72 2fr6 s GLY 52 N -4.08 -0.38 0.13 7.32 0.00 0.63 -4.28 107.32 106.66 2fr6 s GLY 52 Ca 0.41 0.14 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 2fr6 s GLY 52 CO 0.30 -0.01 0.25 0.00 0.00 0.00 0.00 173.10 173.64 2fr6 s ASN 54 N -2.91 7.06 -0.26 0.00 4.22 -1.07 -3.80 114.94 118.18 2fr6 s ASN 54 Ca 0.11 2.01 -0.02 0.00 -2.14 0.00 0.00 52.86 52.82 2fr6 s ASN 54 Cb 0.04 -2.59 0.08 0.00 1.28 0.00 0.00 41.25 40.06 2fr6 s ASN 54 CO -0.06 -0.28 0.08 -0.63 -2.04 0.00 0.00 177.10 174.18 2fr6 s ILE 55 N -1.54 0.53 0.88 0.54 1.01 -0.38 -1.24 121.20 120.99 2fr6 s ILE 55 Ca 0.53 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2fr6 s ILE 55 Cb -0.23 -1.26 0.16 0.00 0.01 0.00 0.00 42.46 41.15 2fr6 s ILE 55 CO 0.29 -0.50 1.22 -1.61 0.00 0.00 0.00 174.94 174.35 2fr6 s GLU 56 N 1.82 1.11 -0.01 2.79 2.02 0.27 -0.87 118.70 125.82 2fr6 s GLU 56 Ca 0.05 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 2fr6 s GLU 56 Cb -0.17 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2fr6 s GLU 56 CO -0.20 -2.05 0.14 1.21 0.02 0.00 0.00 175.26 174.37 2fr6 s ASN 57 N -4.80 -0.02 0.34 -0.19 3.84 -1.26 -4.77 114.94 108.08 2fr6 s ASN 57 Ca 0.70 -0.08 0.13 0.00 0.21 0.00 0.00 52.86 53.82 2fr6 s ASN 57 Cb -0.06 0.23 1.04 0.00 -0.55 0.00 0.00 41.25 41.92 2fr6 s ASN 57 CO 0.50 -0.29 1.68 0.00 -2.79 0.00 0.00 177.10 176.20 2fr6 h ALA 58 N 4.71 1.90 -1.93 1.71 0.00 -1.99 -2.80 119.26 120.86 2fr6 h ALA 58 Ca -0.29 0.18 -0.70 0.00 0.00 0.00 0.00 54.91 54.09 2fr6 h ALA 58 Cb 1.20 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.92 2fr6 h ALA 58 CO 0.41 -0.51 0.09 0.00 0.00 0.00 0.00 179.25 179.24 2fr6 n TYR 60 N 6.27 0.46 0.31 0.00 0.53 -1.06 -0.77 117.16 122.91 2fr6 n TYR 60 Ca -0.09 1.00 0.18 0.00 -1.02 0.00 0.00 57.90 57.97 2fr6 n TYR 60 Cb 0.43 -1.08 0.96 0.00 -1.03 0.00 0.00 39.34 38.62 2fr6 n TYR 60 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 2fr6 h PRO 61 N 0.00 0.00 -0.25 -0.72 0.11 -1.92 -2.05 132.00 127.16 2fr6 h PRO 61 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2fr6 h PRO 61 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2fr6 h PRO 61 CO -0.80 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.27 2fr6 n LEU 62 N -3.12 1.86 -4.81 2.35 4.32 0.05 -4.91 117.00 112.75 2fr6 n LEU 62 Ca -0.02 -0.84 -0.29 0.00 -0.02 0.00 0.00 56.01 54.84 2fr6 n LEU 62 Cb 0.27 -0.16 0.16 0.00 -1.62 0.00 0.00 43.42 42.07 2fr6 n LEU 62 CO 0.18 0.42 0.76 -0.83 -1.22 0.00 0.00 177.39 176.70 2fr6 s GLY 63 N -1.36 1.64 0.02 -0.72 0.00 -0.77 -4.66 107.32 101.46 2fr6 s GLY 63 Ca 0.30 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.23 2fr6 s GLY 63 CO 0.23 -0.14 -0.06 0.54 0.00 0.00 0.00 173.10 173.67 2fr6 s VAL 64 N -3.45 0.42 0.51 1.40 0.11 -0.05 -4.97 120.40 114.38 2fr6 s VAL 64 Ca 0.68 -0.67 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 2fr6 s VAL 64 Cb -0.10 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.24 2fr6 s VAL 64 CO 0.53 -0.17 0.93 0.00 -3.33 0.00 0.00 175.10 173.05 2fr6 h ALA 66 N 0.62 0.59 -0.61 0.00 0.00 -1.84 -1.36 119.26 116.67 2fr6 h ALA 66 Ca -0.46 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2fr6 h ALA 66 Cb 1.19 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2fr6 h ALA 66 CO 0.62 -0.16 0.29 0.93 0.00 0.00 0.00 179.25 180.93 2fr6 h GLU 67 N 0.42 0.51 -0.01 0.00 3.07 -1.88 -1.21 114.58 115.48 2fr6 h GLU 67 Ca 0.22 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.90 2fr6 h GLU 67 Cb 0.17 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2fr6 h GLU 67 CO -0.18 0.34 -0.67 0.00 -1.40 0.00 0.00 179.01 177.10 2fr6 h ARG 68 N 0.53 0.05 -0.49 2.33 3.08 -1.85 -1.23 114.38 116.79 2fr6 h ARG 68 Ca 0.29 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2fr6 h ARG 68 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2fr6 h ARG 68 CO -0.23 0.70 0.24 1.15 -1.07 0.00 0.00 179.97 180.75 2fr6 h THR 69 N 0.03 1.19 -0.00 2.04 2.02 -0.40 0.89 112.91 118.68 2fr6 h THR 69 Ca -0.01 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2fr6 h THR 69 Cb 1.18 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2fr6 h THR 69 CO 0.09 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.19 2fr6 h ALA 70 N 1.08 0.00 -0.43 6.16 0.00 -1.08 -1.64 119.26 123.36 2fr6 h ALA 70 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fr6 h ALA 70 Cb 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2fr6 h ALA 70 CO -0.02 -0.40 0.26 0.82 0.00 0.00 0.00 179.25 179.92 2fr6 h ILE 71 N -0.20 1.13 -0.68 0.00 2.04 -1.08 -1.88 117.51 116.83 2fr6 h ILE 71 Ca 0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2fr6 h ILE 71 Cb 0.20 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2fr6 h ILE 71 CO -0.00 0.13 0.34 1.56 0.00 0.00 0.00 178.15 180.18 2fr6 h GLN 72 N 0.57 0.96 0.27 2.37 4.20 -0.79 -1.60 115.11 121.08 2fr6 h GLN 72 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2fr6 h GLN 72 Cb -0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2fr6 h GLN 72 CO -0.03 0.73 -0.13 -0.22 -0.67 0.00 0.00 178.83 178.51 2fr6 h LYS 73 N 0.96 -0.35 -0.19 1.46 3.64 -0.86 -1.45 116.57 119.77 2fr6 h LYS 73 Ca 0.24 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2fr6 h LYS 73 Cb 0.07 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2fr6 h LYS 73 CO -0.03 -0.18 -0.06 0.00 -2.27 0.00 0.00 179.45 176.90 2fr6 h ALA 74 N 0.27 0.11 -0.81 5.00 0.00 -1.06 -2.47 119.26 120.30 2fr6 h ALA 74 Ca -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2fr6 h ALA 74 Cb 0.33 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2fr6 h ALA 74 CO 0.06 -0.49 0.44 0.82 0.00 0.00 0.00 179.25 180.08 2fr6 h ILE 75 N -0.02 1.24 0.00 0.00 2.04 -1.20 0.38 117.51 119.95 2fr6 h ILE 75 Ca 0.10 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2fr6 h ILE 75 Cb 0.17 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2fr6 h ILE 75 CO -0.21 0.27 -0.05 0.77 0.00 0.00 0.00 178.15 178.93 2fr6 h SER 76 N 1.13 0.00 -0.70 1.72 4.64 -0.92 0.02 113.55 119.44 2fr6 h SER 76 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2fr6 h SER 76 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2fr6 h SER 76 CO -0.04 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 2fr6 n GLU 77 N -3.54 3.35 -0.64 4.77 1.02 -0.67 -4.95 120.64 119.97 2fr6 n GLU 77 Ca -0.02 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.31 2fr6 n GLU 77 Cb 0.17 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2fr6 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fr6 n GLY 78 N 1.38 0.67 3.43 0.62 0.00 -0.01 -5.06 105.19 106.22 2fr6 n GLY 78 Ca 0.26 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2fr6 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fr6 s TYR 79 N -2.00 3.09 0.00 1.61 1.51 0.04 -4.93 117.35 116.67 2fr6 s TYR 79 Ca 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2fr6 s TYR 79 Cb 0.00 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2fr6 s TYR 79 CO 0.00 -0.40 0.37 1.63 -1.11 0.00 0.00 175.55 176.04 2fr6 n LYS 80 N 4.91 0.40 -3.39 -0.62 5.02 -1.26 -3.00 118.16 120.22 2fr6 n LYS 80 Ca -0.16 -0.37 -0.44 0.00 -2.02 0.00 0.00 58.31 55.32 2fr6 n LYS 80 Cb 0.51 -0.86 -0.07 0.00 -0.02 0.00 0.00 35.03 34.59 2fr6 n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fr6 s ASP 81 N -0.16 6.11 -0.14 4.39 2.15 -1.26 -4.97 116.67 122.78 2fr6 s ASP 81 Ca 0.00 -1.46 -0.05 0.00 0.43 0.00 0.00 52.55 51.48 2fr6 s ASP 81 Cb 0.00 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 2fr6 s ASP 81 CO 0.00 -0.69 0.02 -0.36 -0.17 0.00 0.00 175.17 173.98 2fr6 s PHE 82 N 1.61 3.20 -0.21 -5.34 0.08 -1.26 -1.14 117.98 114.91 2fr6 s PHE 82 Ca 0.04 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.16 2fr6 s PHE 82 Cb -0.25 -1.94 -0.20 0.00 -0.57 0.00 0.00 43.02 40.05 2fr6 s PHE 82 CO 0.05 0.26 -0.03 -2.13 -0.10 0.00 0.00 175.22 173.28 2fr6 n ARG 83 N 2.94 0.68 -3.62 0.44 0.00 0.82 -4.78 116.66 113.14 2fr6 n ARG 83 Ca -0.18 0.18 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 2fr6 n ARG 83 Cb 0.53 -1.58 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 2fr6 n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2fr6 s ALA 84 N -2.53 -1.72 -0.12 5.13 0.00 -1.04 -2.28 121.76 119.19 2fr6 s ALA 84 Ca -0.30 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 2fr6 s ALA 84 Cb 0.08 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.80 2fr6 s ALA 84 CO 0.66 -0.87 0.31 -1.50 0.00 0.00 0.00 175.76 174.37 2fr6 s ILE 85 N -3.25 -0.01 0.07 0.00 2.07 -0.17 0.41 121.20 120.33 2fr6 s ILE 85 Ca 0.08 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.46 2fr6 s ILE 85 Cb -0.01 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 2fr6 s ILE 85 CO -0.04 0.02 -0.20 0.00 -1.91 0.00 0.00 174.94 172.82 2fr6 s ALA 86 N 0.64 2.57 -0.02 1.50 0.00 -0.37 0.06 121.76 126.15 2fr6 s ALA 86 Ca -0.04 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.71 2fr6 s ALA 86 Cb -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2fr6 s ALA 86 CO -0.04 0.57 -0.21 0.42 0.00 0.00 0.00 175.76 176.51 2fr6 s ILE 87 N -0.99 1.63 0.04 0.00 1.01 -0.46 -1.67 121.20 120.77 2fr6 s ILE 87 Ca 0.15 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2fr6 s ILE 87 Cb -0.10 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2fr6 s ILE 87 CO 0.07 0.46 -0.16 -0.44 0.00 0.00 0.00 174.94 174.86 2fr6 s SER 88 N -0.45 1.95 0.35 3.58 0.01 0.50 -2.94 113.70 116.70 2fr6 s SER 88 Ca 0.07 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2fr6 s SER 88 Cb -0.08 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2fr6 s SER 88 CO -0.01 0.07 0.48 -0.94 0.41 0.00 0.00 173.24 173.25 2fr6 s SER 89 N -1.20 1.00 0.00 2.44 1.04 -1.26 -1.49 113.70 114.22 2fr6 s SER 89 Ca 0.03 -1.52 0.28 0.00 0.48 0.00 0.00 55.95 55.22 2fr6 s SER 89 Cb -0.08 0.67 0.99 0.00 0.10 0.00 0.00 66.02 67.70 2fr6 s SER 89 CO 0.02 -1.31 1.71 0.47 0.98 0.00 0.00 173.24 175.10 2fr6 n ASP 90 N -1.49 1.37 -4.61 7.02 8.00 -1.26 -4.45 116.55 121.14 2fr6 n ASP 90 Ca 0.01 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 2fr6 n ASP 90 Cb 0.61 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2fr6 n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2fr6 s LEU 91 N -2.12 3.62 0.24 0.64 1.43 -1.26 -4.88 118.68 116.35 2fr6 s LEU 91 Ca 0.35 1.03 0.12 0.00 -1.03 0.00 0.00 54.13 54.60 2fr6 s LEU 91 Cb 0.21 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.98 2fr6 s LEU 91 CO 0.38 -1.44 1.45 1.56 0.23 0.00 0.00 176.35 178.53 2fr6 h GLN 92 N 11.02 0.00 -0.43 1.70 4.20 -1.98 -3.33 115.11 126.29 2fr6 h GLN 92 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2fr6 h GLN 92 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2fr6 h GLN 92 CO 1.06 0.67 0.00 0.39 -0.67 0.00 0.00 178.83 180.28 2fr6 n GLU 93 N -3.37 3.29 -3.80 1.46 -0.58 -1.26 -4.70 120.64 111.67 2fr6 n GLU 93 Ca 0.01 -2.66 -0.13 0.00 -0.42 0.00 0.00 57.16 53.96 2fr6 n GLU 93 Cb 0.76 -1.72 -0.13 0.00 -0.57 0.00 0.00 31.44 29.78 2fr6 n GLU 93 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2fr6 s GLU 94 N -1.99 0.14 0.05 3.49 2.02 -1.25 -5.12 118.70 116.03 2fr6 s GLU 94 Ca 0.40 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.34 2fr6 s GLU 94 Cb 0.28 0.01 -0.05 0.00 0.10 0.00 0.00 34.13 34.46 2fr6 s GLU 94 CO 0.16 -0.06 1.17 -0.06 0.02 0.00 0.00 175.26 176.49 2fr6 s PHE 95 N 0.39 3.45 -0.12 1.61 0.08 -1.26 -4.62 117.98 117.52 2fr6 s PHE 95 Ca -0.03 1.34 -0.30 0.00 0.12 0.00 0.00 56.93 58.07 2fr6 s PHE 95 Cb -0.04 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.01 2fr6 s PHE 95 CO -0.02 -1.13 1.19 -1.50 -0.10 0.00 0.00 175.22 173.67 2fr6 s ILE 96 N 1.11 4.35 -0.03 0.64 1.10 -0.47 -4.89 121.20 123.02 2fr6 s ILE 96 Ca 0.58 1.65 0.01 0.00 -0.51 0.00 0.00 60.65 62.38 2fr6 s ILE 96 Cb -0.28 -4.06 -0.03 0.00 0.15 0.00 0.00 42.46 38.23 2fr6 s ILE 96 CO 0.29 -0.07 -0.01 -0.55 -2.11 0.00 0.00 174.94 172.49 2fr6 s SER 97 N 1.60 5.11 0.29 4.50 0.15 -1.26 -4.16 113.70 119.93 2fr6 s SER 97 Ca 0.54 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 2fr6 s SER 97 Cb -0.22 -1.35 -0.10 0.00 -1.71 0.00 0.00 66.02 62.64 2fr6 s SER 97 CO 0.17 0.31 1.19 -2.16 1.20 0.00 0.00 173.24 173.95 2fr6 s PRO 98 N -1.32 4.52 0.85 5.44 0.04 -1.26 -5.01 135.00 138.25 2fr6 s PRO 98 Ca 0.17 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2fr6 s PRO 98 Cb -0.11 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.38 2fr6 s PRO 98 CO 0.07 0.04 1.09 0.00 0.04 0.00 0.00 177.00 178.25 2fr6 h GLY 100 N -1.33 1.41 1.01 0.00 0.00 -1.97 -2.11 103.07 100.08 2fr6 h GLY 100 Ca -0.48 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 2fr6 h GLY 100 CO 0.56 0.15 0.28 0.00 0.00 0.00 0.00 176.54 177.53 2fr6 h ALA 101 N 1.56 0.88 -0.20 3.60 0.00 -2.00 -1.67 119.26 121.43 2fr6 h ALA 101 Ca 0.46 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2fr6 h ALA 101 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2fr6 h ALA 101 CO -0.22 0.49 -0.31 0.00 0.00 0.00 0.00 179.25 179.20 2fr6 h ARG 103 N 0.36 0.65 -0.39 0.00 3.08 -0.91 -0.43 114.38 116.74 2fr6 h ARG 103 Ca 0.05 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2fr6 h ARG 103 Cb 0.73 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2fr6 h ARG 103 CO 0.06 0.67 -0.37 0.37 -1.07 0.00 0.00 179.97 179.62 2fr6 h GLN 104 N 0.61 0.93 -0.43 0.04 5.75 -0.93 -0.29 115.11 120.79 2fr6 h GLN 104 Ca 0.12 -0.48 -0.14 0.00 -0.15 0.00 0.00 58.65 58.00 2fr6 h GLN 104 Cb 0.40 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 2fr6 h GLN 104 CO 0.02 1.14 -0.28 0.28 -2.65 0.00 0.00 178.83 177.33 2fr6 h VAL 105 N 0.76 1.27 -0.40 2.39 2.07 -1.14 -2.02 116.25 119.18 2fr6 h VAL 105 Ca 0.06 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2fr6 h VAL 105 Cb 0.96 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2fr6 h VAL 105 CO 0.09 0.49 0.26 0.24 0.02 0.00 0.00 177.57 178.67 2fr6 h MET 106 N 0.79 0.53 0.00 1.57 2.86 -0.93 -2.43 114.93 117.32 2fr6 h MET 106 Ca 0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2fr6 h MET 106 Cb 0.85 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 2fr6 h MET 106 CO 0.08 0.37 -0.07 -0.09 1.06 0.00 0.00 176.91 178.25 2fr6 h ARG 107 N 0.54 0.00 0.00 1.72 1.12 -0.78 -0.91 114.38 116.07 2fr6 h ARG 107 Ca 0.15 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 2fr6 h ARG 107 Cb -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 2fr6 h ARG 107 CO -0.03 0.07 -0.01 1.49 -3.11 0.00 0.00 179.97 178.38 2fr6 h GLU 108 N 0.00 0.00 -0.21 0.20 4.57 -0.85 -1.70 114.58 116.58 2fr6 h GLU 108 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2fr6 h GLU 108 Cb 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2fr6 h GLU 108 CO 0.01 0.01 -0.11 1.19 -1.18 0.00 0.00 179.01 178.92 2fr6 n PHE 109 N -3.66 0.69 0.00 0.92 3.01 -0.35 -5.01 117.46 113.07 2fr6 n PHE 109 Ca -0.03 -1.31 0.00 0.00 1.01 0.00 0.00 57.45 57.12 2fr6 n PHE 109 Cb 0.09 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 2fr6 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2fr6 n GLY 110 N -1.03 3.85 0.00 1.37 0.00 -0.64 -4.74 105.19 104.00 2fr6 n GLY 110 Ca 0.25 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.82 2fr6 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fr6 n THR 111 N -1.13 0.00 -2.27 2.61 -2.24 -1.26 -3.97 114.28 106.02 2fr6 n THR 111 Ca 0.00 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 2fr6 n THR 111 Cb 0.00 0.68 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2fr6 n THR 111 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fr6 n ASP 112 N -1.62 7.30 -4.05 3.42 10.43 -1.26 -1.55 116.55 129.22 2fr6 n ASP 112 Ca 0.01 -3.77 -0.08 0.00 2.57 0.00 0.00 54.79 53.52 2fr6 n ASP 112 Cb 0.30 -1.08 -0.10 0.00 1.84 0.00 0.00 41.12 42.08 2fr6 n ASP 112 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 2fr6 s TRP 113 N -4.16 0.43 0.18 1.24 1.48 -1.26 -5.01 118.94 111.84 2fr6 s TRP 113 Ca 0.46 -0.91 -0.20 0.00 -1.06 0.00 0.00 56.10 54.39 2fr6 s TRP 113 Cb 0.33 -0.32 -0.08 0.00 -1.16 0.00 0.00 33.47 32.24 2fr6 s TRP 113 CO -0.28 -0.36 0.69 0.00 -4.06 0.00 0.00 176.95 172.94 2fr6 s ALA 114 N -3.41 3.47 -0.20 2.67 0.00 -0.97 -2.19 121.76 121.14 2fr6 s ALA 114 Ca 0.02 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2fr6 s ALA 114 Cb 0.04 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.42 2fr6 s ALA 114 CO -0.08 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 175.93 2fr6 s VAL 115 N -1.40 2.09 -0.47 0.00 1.01 -0.14 -0.99 120.40 120.50 2fr6 s VAL 115 Ca 0.39 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2fr6 s VAL 115 Cb -0.18 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2fr6 s VAL 115 CO 0.21 0.41 0.50 -0.31 0.00 0.00 0.00 175.10 175.91 2fr6 s TYR 116 N 1.25 3.15 -0.46 5.22 2.02 0.11 -2.47 117.35 126.16 2fr6 s TYR 116 Ca 0.02 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 55.94 2fr6 s TYR 116 Cb -0.15 -3.21 0.04 0.00 -0.40 0.00 0.00 41.96 38.24 2fr6 s TYR 116 CO -0.11 -0.85 0.58 -1.64 -1.57 0.00 0.00 175.55 171.95 2fr6 s MET 117 N 2.18 3.16 0.50 -0.62 -1.94 -0.22 -1.35 119.30 121.01 2fr6 s MET 117 Ca 0.11 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 2fr6 s MET 117 Cb -0.20 -4.02 0.04 0.00 2.01 0.00 0.00 34.83 32.66 2fr6 s MET 117 CO 0.11 -1.06 0.61 0.95 -0.01 0.00 0.00 175.02 175.62 2fr6 s THR 118 N 2.54 2.45 0.14 2.05 -4.23 -1.15 -1.30 115.64 116.15 2fr6 s THR 118 Ca 0.16 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2fr6 s THR 118 Cb -0.17 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2fr6 s THR 118 CO 0.14 0.00 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.54 2fr6 s LYS 119 N -4.43 1.11 0.56 3.99 1.02 -0.76 -1.37 119.74 119.85 2fr6 s LYS 119 Ca 0.54 -1.32 0.26 0.00 0.02 0.00 0.00 55.97 55.47 2fr6 s LYS 119 Cb -0.06 -0.98 1.48 0.00 -0.52 0.00 0.00 37.83 37.74 2fr6 s LYS 119 CO 0.33 0.18 2.02 -1.35 -0.92 0.00 0.00 175.35 175.62 2fr6 h PRO 120 N 3.31 0.00 0.00 -1.68 0.11 -1.78 -1.61 132.00 130.35 2fr6 h PRO 120 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2fr6 h PRO 120 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2fr6 h PRO 120 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 2fr6 n ASP 121 N -4.12 0.00 0.00 -2.05 3.85 -1.26 -4.86 116.55 108.10 2fr6 n ASP 121 Ca 0.06 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 2fr6 n ASP 121 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2fr6 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr6 n GLY 122 N 0.54 1.25 3.86 6.12 0.00 -0.61 -5.05 105.19 111.31 2fr6 n GLY 122 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2fr6 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr6 s THR 123 N -2.47 4.55 0.18 2.61 -4.23 -1.26 -4.87 115.64 110.15 2fr6 s THR 123 Ca 0.00 0.85 -0.24 0.00 -1.18 0.00 0.00 61.69 61.12 2fr6 s THR 123 Cb 0.00 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 70.14 2fr6 s THR 123 CO 0.00 -1.06 0.82 0.72 -0.54 0.00 0.00 174.62 174.56 2fr6 s PHE 124 N -3.11 -0.23 -0.04 3.99 -0.12 -1.26 -1.83 117.98 115.38 2fr6 s PHE 124 Ca 0.56 -0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.38 2fr6 s PHE 124 Cb -0.12 0.64 -0.00 0.00 -0.63 0.00 0.00 43.02 42.91 2fr6 s PHE 124 CO 0.53 -0.95 -0.17 0.08 -0.05 0.00 0.00 175.22 174.66 2fr6 s VAL 125 N -3.56 1.41 -0.09 -2.49 1.01 -0.42 -4.98 120.40 111.29 2fr6 s VAL 125 Ca 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2fr6 s VAL 125 Cb -0.03 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2fr6 s VAL 125 CO 0.01 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.73 2fr6 s VAL 126 N 0.01 3.43 0.00 2.92 1.01 -1.26 -1.05 120.40 125.46 2fr6 s VAL 126 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 2fr6 s VAL 126 Cb -0.11 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2fr6 s VAL 126 CO 0.02 0.56 0.18 -0.13 0.00 0.00 0.00 175.10 175.73 2fr6 s ARG 127 N -0.34 0.55 0.57 2.72 1.81 -1.03 -4.98 118.95 118.24 2fr6 s ARG 127 Ca 0.04 -0.38 -0.06 0.00 -1.72 0.00 0.00 55.73 53.62 2fr6 s ARG 127 Cb -0.12 0.23 -0.00 0.00 -0.45 0.00 0.00 34.95 34.61 2fr6 s ARG 127 CO 0.02 -0.14 0.88 0.95 -0.68 0.00 0.00 175.30 176.34 2fr6 s THR 128 N -1.49 3.91 0.23 0.02 -4.23 -1.26 -0.97 115.64 111.85 2fr6 s THR 128 Ca -0.14 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2fr6 s THR 128 Cb -0.06 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.44 2fr6 s THR 128 CO 0.02 -0.55 1.84 0.58 -0.54 0.00 0.00 174.62 175.97 2fr6 h VAL 129 N -0.11 1.26 -0.65 2.29 2.07 -1.46 -0.48 116.25 119.17 2fr6 h VAL 129 Ca -0.46 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.42 2fr6 h VAL 129 Cb 1.24 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2fr6 h VAL 129 CO 0.61 0.30 0.39 -0.61 0.02 0.00 0.00 177.57 178.28 2fr6 h GLN 130 N 1.25 0.72 -0.14 1.57 4.15 -1.58 0.11 115.11 121.20 2fr6 h GLN 130 Ca 0.31 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.56 2fr6 h GLN 130 Cb 0.06 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2fr6 h GLN 130 CO -0.05 0.48 -0.45 0.93 -1.93 0.00 0.00 178.83 177.81 2fr6 h GLU 131 N 0.74 0.34 0.00 1.69 5.08 -1.71 -2.49 114.58 118.23 2fr6 h GLU 131 Ca 0.28 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2fr6 h GLU 131 Cb 0.09 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2fr6 h GLU 131 CO -0.14 0.73 0.00 -0.07 -1.00 0.00 0.00 179.01 178.54 2fr6 h LEU 132 N 0.28 0.00 -5.91 1.33 4.07 -0.42 -3.37 115.31 111.29 2fr6 h LEU 132 Ca 0.02 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.45 2fr6 h LEU 132 Cb 0.91 0.00 -0.37 0.00 1.08 0.00 0.00 40.66 42.28 2fr6 h LEU 132 CO 0.08 0.00 -1.05 -0.11 -1.08 0.00 0.00 178.44 176.27 2fr6 n LEU 133 N -2.82 -0.10 -4.76 1.67 7.94 0.34 -5.06 117.00 114.21 2fr6 n LEU 133 Ca 0.04 -4.57 -0.36 0.00 -1.11 0.00 0.00 56.01 50.02 2fr6 n LEU 133 Cb 0.46 0.66 0.02 0.00 0.53 0.00 0.00 43.42 45.09 2fr6 n LEU 133 CO 0.31 2.06 0.82 -2.16 -1.11 0.00 0.00 177.39 177.32 2fr6 s PRO 134 N -1.01 3.09 -1.48 1.96 0.04 -0.96 -3.20 135.00 133.44 2fr6 s PRO 134 Ca 0.35 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 2fr6 s PRO 134 Cb 0.17 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2fr6 s PRO 134 CO -0.12 -1.09 0.77 0.00 0.04 0.00 0.00 177.00 176.59 2fr6 n ALA 135 N -1.50 -1.61 -1.77 8.56 0.00 -1.26 -4.85 120.51 118.08 2fr6 n ALA 135 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 2fr6 n ALA 135 Cb 0.50 -3.09 -0.00 0.00 0.00 0.00 0.00 19.45 16.86 2fr6 n ALA 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fr6 s SER 136 N -3.78 6.26 0.46 0.00 1.04 -1.19 -5.01 113.70 111.47 2fr6 s SER 136 Ca 0.38 2.72 -0.20 0.00 0.48 0.00 0.00 55.95 59.34 2fr6 s SER 136 Cb -0.20 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.18 2fr6 s SER 136 CO 0.86 -0.89 0.98 0.12 0.98 0.00 0.00 173.24 175.28 2fr6 s PHE 137 N -1.24 3.27 0.00 5.02 2.19 -1.26 -5.01 117.98 120.95 2fr6 s PHE 137 Ca 0.57 1.57 0.00 0.00 0.33 0.00 0.00 56.93 59.40 2fr6 s PHE 137 Cb -0.40 -2.88 0.00 0.00 -1.31 0.00 0.00 43.02 38.43 2fr6 s PHE 137 CO 0.51 -0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.65 2fr6 n GLY 138 N -0.76 0.98 0.48 13.12 0.00 -1.26 -4.98 105.19 112.76 2fr6 n GLY 138 Ca 0.07 -0.79 0.32 0.00 0.00 0.00 0.00 46.02 45.63 2fr6 n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fr6 h PRO 139 N 0.00 0.17 0.00 1.61 0.11 -1.94 0.25 132.00 132.20 2fr6 h PRO 139 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2fr6 h PRO 139 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2fr6 h PRO 139 CO 0.00 0.11 -0.12 1.05 -0.21 0.00 0.00 178.00 178.83 2fr6 h GLU 140 N 0.18 0.00 0.00 1.05 4.11 -1.94 -0.87 114.58 117.11 2fr6 h GLU 140 Ca 0.67 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 60.06 2fr6 h GLU 140 Cb 2.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 2fr6 h GLU 140 CO -0.23 0.12 -0.16 -0.44 0.07 0.00 0.00 179.01 178.37 2fr6 h ASP 141 N 0.00 0.00 -0.57 3.06 3.32 -1.34 -0.44 116.42 120.45 2fr6 h ASP 141 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2fr6 h ASP 141 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2fr6 h ASP 141 CO 0.02 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 2fr6 n LEU 142 N -4.33 4.18 -3.76 1.55 4.77 -0.94 -4.95 117.00 113.53 2fr6 n LEU 142 Ca -0.03 -2.34 -0.23 0.00 -0.03 0.00 0.00 56.01 53.39 2fr6 n LEU 142 Cb 0.23 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2fr6 n LEU 142 CO 0.36 0.82 -0.05 0.00 -1.33 0.00 0.00 177.39 177.19 2fr6 n GLN 143 N 0.95 -4.89 0.00 3.23 6.02 -0.17 -4.89 117.38 117.62 2fr6 n GLN 143 Ca 0.22 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.93 2fr6 n GLN 143 Cb 0.75 -5.18 0.20 0.00 1.02 0.00 0.00 30.24 27.03 2fr6 n GLN 143 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2fr6 n LYS 144 N -4.36 0.31 -3.38 -1.09 3.00 -0.37 -4.75 118.16 107.51 2fr6 n LYS 144 Ca -0.24 -0.20 -0.45 0.00 -0.00 0.00 0.00 58.31 57.43 2fr6 n LYS 144 Cb 0.65 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 34.12 2fr6 n LYS 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2fr6 s ILE 145 N -2.83 5.08 0.00 3.15 1.01 -1.26 -4.99 121.20 121.36 2fr6 s ILE 145 Ca 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2fr6 s ILE 145 Cb 0.18 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2fr6 s ILE 145 CO 0.67 -0.73 0.00 0.00 0.00 0.00 0.00 174.94 174.88