#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yru s SER 2 N 0.00 -0.81 -0.11 1.61 0.15 -1.26 -5.17 113.70 108.11 2yru s SER 2 Ca 0.00 1.24 -0.30 0.00 0.70 0.00 0.00 55.95 57.59 2yru s SER 2 Cb 0.00 1.52 0.09 0.00 -1.71 0.00 0.00 66.02 65.91 2yru s SER 2 CO 0.00 -0.19 0.78 -0.55 1.20 0.00 0.00 173.24 174.48 2yru s SER 3 N 1.84 -0.59 0.00 5.45 0.15 -1.26 -5.16 113.70 114.14 2yru s SER 3 Ca -0.08 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2yru s SER 3 Cb -0.06 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2yru s SER 3 CO -0.18 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2yru n GLY 4 N 1.09 -0.55 3.07 9.45 0.00 -1.26 -5.10 105.19 111.90 2yru n GLY 4 Ca -0.16 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2yru n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yru n SER 5 N 0.00 -7.20 -4.86 1.61 2.88 -1.26 -4.97 113.62 99.82 2yru n SER 5 Ca 0.00 0.27 -0.33 0.00 -1.33 0.00 0.00 58.87 57.48 2yru n SER 5 Cb 0.00 -4.27 -0.06 0.00 -0.75 0.00 0.00 64.21 59.13 2yru n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yru s SER 6 N -2.33 6.71 0.00 -3.46 0.15 -1.26 -4.92 113.70 108.59 2yru s SER 6 Ca 0.27 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2yru s SER 6 Cb -0.06 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2yru s SER 6 CO 0.80 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.86 2yru n GLY 7 N 0.30 -1.92 3.08 9.45 0.00 -1.26 -5.08 105.19 109.75 2yru n GLY 7 Ca -0.02 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 2yru n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yru n VAL 8 N -1.73-10.01 -4.45 1.61 0.31 -1.26 -5.03 118.33 97.76 2yru n VAL 8 Ca 0.00 -0.40 -0.22 0.00 -0.01 0.00 0.00 64.34 63.71 2yru n VAL 8 Cb 0.00 -6.87 -0.16 0.00 -0.91 0.00 0.00 33.84 25.90 2yru n VAL 8 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2yru s ILE 9 N -3.06 0.91 -0.16 2.52 1.01 -1.26 -5.12 121.20 116.04 2yru s ILE 9 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 2yru s ILE 9 Cb -0.01 -0.84 0.08 0.00 0.01 0.00 0.00 42.46 41.70 2yru s ILE 9 CO 0.74 0.30 0.33 -1.83 0.00 0.00 0.00 174.94 174.48 2yru s GLU 10 N 0.53 0.23 0.00 2.79 4.04 -1.26 -5.14 118.70 119.88 2yru s GLU 10 Ca -0.10 0.86 0.00 0.00 0.04 0.00 0.00 54.97 55.78 2yru s GLU 10 Cb -0.13 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.12 2yru s GLU 10 CO 0.02 -0.28 0.00 0.45 -1.84 0.00 0.00 175.26 173.61 2yru n SER 11 N 5.37 0.00 -1.64 0.83 2.88 -1.26 -5.15 113.62 114.65 2yru n SER 11 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2yru n SER 11 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2yru n SER 11 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yru n GLU 12 N -0.14 -4.63 -3.68 -1.46 1.02 -1.26 -5.07 120.64 105.42 2yru n GLU 12 Ca 0.00 3.38 -0.15 0.00 -0.02 0.00 0.00 57.16 60.37 2yru n GLU 12 Cb 0.00 -3.75 -0.08 0.00 -0.02 0.00 0.00 31.44 27.59 2yru n GLU 12 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2yru s THR 13 N -2.43 0.03 0.11 2.62 2.01 -1.26 -5.08 115.64 111.63 2yru s THR 13 Ca 0.00 -0.22 0.09 0.00 0.31 0.00 0.00 61.69 61.87 2yru s THR 13 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2yru s THR 13 CO 0.00 -0.12 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.88 2yru s LEU 14 N -0.85 2.75 0.21 4.42 1.43 -1.26 -5.02 118.68 120.36 2yru s LEU 14 Ca -0.09 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2yru s LEU 14 Cb -0.03 -1.59 0.22 0.00 0.03 0.00 0.00 46.19 44.82 2yru s LEU 14 CO 0.05 0.18 1.83 -0.29 0.23 0.00 0.00 176.35 178.35 2yru h ILE 15 N 3.52 1.04 0.00 -0.59 2.10 -1.99 0.39 117.51 121.99 2yru h ILE 15 Ca -0.50 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2yru h ILE 15 Cb 1.17 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2yru h ILE 15 CO 0.47 0.14 0.00 -0.62 -1.08 0.00 0.00 178.15 177.06 2yru n GLU 16 N -4.71 0.19 -0.07 2.19 -0.58 -1.26 0.45 120.64 116.85 2yru n GLU 16 Ca 0.08 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2yru n GLU 16 Cb 0.12 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.35 2yru n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yru n ASP 17 N -1.32 0.79 0.07 1.62 9.92 0.12 -2.21 116.55 125.53 2yru n ASP 17 Ca 0.07 0.13 0.07 0.00 -0.53 0.00 0.00 54.79 54.53 2yru n ASP 17 Cb 0.14 0.26 -0.04 0.00 -0.64 0.00 0.00 41.12 40.83 2yru n ASP 17 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2yru n VAL 18 N -3.00 0.82 0.01 2.53 0.31 -0.06 -4.08 118.33 114.87 2yru n VAL 18 Ca -0.30 -0.61 -0.19 0.00 -0.01 0.00 0.00 64.34 63.23 2yru n VAL 18 Cb 1.09 -0.48 -0.14 0.00 -0.91 0.00 0.00 33.84 33.40 2yru n VAL 18 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2yru h LEU 19 N 0.00 0.37 -0.95 7.52 -0.00 -0.17 -3.19 115.31 118.89 2yru h LEU 19 Ca -0.07 -0.79 0.17 0.00 -0.00 0.00 0.00 57.88 57.18 2yru h LEU 19 Cb 1.25 -0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 41.63 2yru h LEU 19 CO 0.02 1.71 -0.31 0.54 -0.00 0.00 0.00 178.44 180.40 2yru n ARG 20 N -3.42 -0.16 0.08 1.13 5.12 -0.94 0.21 116.66 118.67 2yru n ARG 20 Ca -0.28 1.47 -0.07 0.00 -1.93 0.00 0.00 57.85 57.04 2yru n ARG 20 Cb 1.05 -2.18 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 2yru n ARG 20 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2yru h PRO 21 N 0.00 -0.28 -1.10 5.56 0.13 -1.74 0.70 132.00 135.27 2yru h PRO 21 Ca 0.38 0.02 0.32 0.00 -0.87 0.00 0.00 66.00 65.85 2yru h PRO 21 Cb 0.62 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 2yru h PRO 21 CO -0.96 -0.08 0.97 -0.07 -0.23 0.00 0.00 178.00 177.64 2yru h LEU 22 N -1.04 0.00 0.06 1.56 3.38 -1.33 1.04 115.31 118.97 2yru h LEU 22 Ca -0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 2yru h LEU 22 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2yru h LEU 22 CO 0.05 0.00 -1.19 -0.33 0.09 0.00 0.00 178.44 177.06 2yru h GLU 23 N 0.00 0.12 0.00 1.13 5.08 0.24 -3.23 114.58 117.92 2yru h GLU 23 Ca 0.52 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2yru h GLU 23 Cb 2.45 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.78 2yru h GLU 23 CO -0.01 1.10 -0.05 -0.56 -1.00 0.00 0.00 179.01 178.50 2yru h GLN 24 N -0.63 0.00 -0.28 2.33 3.07 0.26 -1.65 115.11 118.21 2yru h GLN 24 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.38 2yru h GLN 24 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.06 2yru h GLN 24 CO -0.04 0.05 -0.12 0.00 0.09 0.00 0.00 178.83 178.81 2yru h ALA 25 N 1.95 0.39 0.18 0.06 0.00 0.65 -2.73 119.26 119.77 2yru h ALA 25 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2yru h ALA 25 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2yru h ALA 25 CO 0.01 0.25 -0.48 1.25 0.00 0.00 0.00 179.25 180.28 2yru h LEU 26 N 0.32 -1.43 -0.85 0.00 5.85 -1.32 0.50 115.31 118.38 2yru h LEU 26 Ca 0.06 0.14 0.21 0.00 0.84 0.00 0.00 57.88 59.14 2yru h LEU 26 Cb 0.62 0.52 -0.15 0.00 0.37 0.00 0.00 40.66 42.02 2yru h LEU 26 CO 0.04 -0.53 0.07 -0.33 -0.34 0.00 0.00 178.44 177.34 2yru h GLU 27 N -0.74 0.11 -0.78 1.25 5.08 -1.51 1.80 114.58 119.79 2yru h GLU 27 Ca -0.02 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2yru h GLU 27 Cb 0.72 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2yru h GLU 27 CO -0.22 0.07 0.51 0.22 -1.00 0.00 0.00 179.01 178.59 2yru h ASP 28 N 0.11 0.80 -0.02 1.42 1.82 -0.93 -1.58 116.42 118.04 2yru h ASP 28 Ca 0.49 -0.01 -0.17 0.00 -0.39 0.00 0.00 57.03 56.96 2yru h ASP 28 Cb 0.94 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.79 2yru h ASP 28 CO -0.72 0.54 -0.63 0.00 -1.61 0.00 0.00 179.24 176.81 2yru h HIS 30 N -0.02 0.00 0.07 0.00 -0.00 0.30 1.83 115.15 117.34 2yru h HIS 30 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 59.99 2yru h HIS 30 Cb 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.72 2yru h HIS 30 CO 0.14 0.00 -1.65 0.78 -0.00 0.00 0.00 177.93 177.20 2yru h GLY 31 N 0.00 0.17 0.00 5.26 0.00 -1.29 -3.43 103.07 103.78 2yru h GLY 31 Ca 0.33 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2yru h GLY 31 CO -0.00 0.39 0.00 1.57 0.00 0.00 0.00 176.54 178.49 2yru n HIS 32 N -3.31 0.00 -1.20 5.60 -0.00 0.49 -5.01 115.22 111.78 2yru n HIS 32 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.16 2yru n HIS 32 Cb 1.04 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 31.06 2yru n HIS 32 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2yru n THR 33 N -2.19 0.42 0.00 3.57 -1.04 0.51 -4.92 114.28 110.62 2yru n THR 33 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2yru n THR 33 Cb 0.00 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2yru n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2yru n LYS 34 N 1.27 -0.31 -0.08 -2.82 4.76 -1.26 -4.56 118.16 115.15 2yru n LYS 34 Ca 0.06 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 2yru n LYS 34 Cb 0.50 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.66 2yru n LYS 34 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2yru n LYS 35 N -1.06 0.49 -0.27 1.97 3.00 -1.26 -4.03 118.16 117.00 2yru n LYS 35 Ca 0.00 0.38 0.08 0.00 -0.00 0.00 0.00 58.31 58.77 2yru n LYS 35 Cb 0.00 -1.57 0.22 0.00 0.00 0.00 0.00 35.03 33.68 2yru n LYS 35 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2yru h GLN 36 N -1.00 0.27 -0.12 1.64 1.08 -1.99 -0.79 115.11 114.20 2yru h GLN 36 Ca -0.01 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2yru h GLN 36 Cb 0.76 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.07 2yru h GLN 36 CO -0.01 0.18 -0.50 -0.24 -0.95 0.00 0.00 178.83 177.31 2yru h VAL 37 N 0.28 0.00 -0.24 -0.54 3.04 -1.95 -0.39 116.25 116.46 2yru h VAL 37 Ca 0.46 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 66.19 2yru h VAL 37 Cb 0.83 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 30.04 2yru h VAL 37 CO -0.54 0.00 -0.54 0.00 -1.01 0.00 0.00 177.57 175.48 2yru n ASP 39 N -5.42 0.16 0.06 0.00 2.03 -0.59 0.12 116.55 112.92 2yru n ASP 39 Ca -0.05 1.28 -0.04 0.00 0.52 0.00 0.00 54.79 56.50 2yru n ASP 39 Cb 0.37 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 2yru n ASP 39 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2yru h ASP 40 N 0.00 -0.22 -0.09 1.67 3.58 0.22 -2.39 116.42 119.20 2yru h ASP 40 Ca 0.89 0.01 0.04 0.00 0.42 0.00 0.00 57.03 58.38 2yru h ASP 40 Cb 3.04 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 44.09 2yru h ASP 40 CO -0.35 0.25 -0.47 0.40 -2.88 0.00 0.00 179.24 176.19 2yru h ILE 41 N -1.07 0.09 -0.48 2.25 2.04 0.30 -0.35 117.51 120.29 2yru h ILE 41 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2yru h ILE 41 Cb 0.20 0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 2yru h ILE 41 CO 0.04 0.00 -0.34 0.77 0.00 0.00 0.00 178.15 178.63 2yru h SER 42 N -0.56 -1.14 -1.02 1.72 4.64 0.83 0.52 113.55 118.54 2yru h SER 42 Ca 0.05 0.21 0.25 0.00 -0.47 0.00 0.00 61.79 61.83 2yru h SER 42 Cb 0.66 0.55 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2yru h SER 42 CO -0.39 -0.32 0.63 0.03 -0.87 0.00 0.00 176.83 175.91 2yru h ARG 43 N -0.22 0.50 -0.23 4.77 3.08 -0.74 0.28 114.38 121.82 2yru h ARG 43 Ca 0.20 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2yru h ARG 43 Cb 0.55 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2yru h ARG 43 CO -0.60 0.33 -0.24 0.00 -1.07 0.00 0.00 179.97 178.39 2yru h ARG 44 N 0.52 0.57 0.07 0.04 2.47 0.15 -3.19 114.38 115.01 2yru h ARG 44 Ca 0.62 -0.30 0.02 0.00 -1.26 0.00 0.00 59.98 59.07 2yru h ARG 44 Cb 1.33 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.61 2yru h ARG 44 CO -0.40 0.89 -0.33 -0.07 0.56 0.00 0.00 179.97 180.62 2yru h LEU 45 N 0.26 -0.98 -1.00 3.04 3.38 0.24 0.34 115.31 120.60 2yru h LEU 45 Ca 0.04 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.47 2yru h LEU 45 Cb 0.79 0.38 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 2yru h LEU 45 CO 0.06 -0.41 0.27 0.00 0.09 0.00 0.00 178.44 178.45 2yru h ALA 46 N 0.12 1.65 0.33 1.53 0.00 -1.10 0.72 119.26 122.51 2yru h ALA 46 Ca 0.04 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 46 Cb 0.58 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2yru h ALA 46 CO -0.23 -0.75 -0.16 1.25 0.00 0.00 0.00 179.25 179.36 2yru h LEU 47 N 0.01 -0.38 -0.82 0.00 6.46 -1.07 -0.93 115.31 118.58 2yru h LEU 47 Ca 0.72 -0.16 0.14 0.00 -0.12 0.00 0.00 57.88 58.45 2yru h LEU 47 Cb 1.72 0.10 -0.14 0.00 -0.73 0.00 0.00 40.66 41.60 2yru h LEU 47 CO -0.85 -0.00 -0.35 0.25 -0.62 0.00 0.00 178.44 176.86 2yru h LEU 48 N -0.80 -1.28 0.06 2.25 5.85 0.22 1.28 115.31 122.90 2yru h LEU 48 Ca -0.05 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2yru h LEU 48 Cb 0.52 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2yru h LEU 48 CO 0.07 -0.30 -0.10 -0.09 -0.34 0.00 0.00 178.44 177.69 2yru h ARG 49 N -0.07 -0.20 0.15 1.25 2.43 -0.69 0.96 114.38 118.23 2yru h ARG 49 Ca 0.31 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2yru h ARG 49 Cb 0.58 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 2yru h ARG 49 CO -0.86 -0.13 -0.32 0.93 -1.51 0.00 0.00 179.97 178.08 2yru h GLU 50 N -0.21 -0.54 -0.70 0.20 4.39 0.88 1.34 114.58 119.95 2yru h GLU 50 Ca 0.02 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2yru h GLU 50 Cb 0.22 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2yru h GLU 50 CO -0.06 -0.36 0.42 1.96 -1.16 0.00 0.00 179.01 179.82 2yru h GLN 51 N -0.56 0.94 0.37 2.33 4.20 0.16 1.40 115.11 123.95 2yru h GLN 51 Ca 0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2yru h GLN 51 Cb 0.58 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2yru h GLN 51 CO -0.17 0.65 -0.18 2.35 -0.67 0.00 0.00 178.83 180.82 2yru h TRP 52 N 0.96 -0.46 0.36 2.96 2.91 0.19 0.16 115.95 123.02 2yru h TRP 52 Ca 0.25 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.26 2yru h TRP 52 Cb -0.05 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.73 2yru h TRP 52 CO 0.00 -0.29 -0.48 0.00 -1.03 0.00 0.00 178.44 176.64 2yru h ALA 53 N -1.61 -1.02 -1.79 2.65 0.00 0.19 -0.24 119.26 117.44 2yru h ALA 53 Ca -0.05 -0.15 0.53 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 53 Cb 0.38 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2yru h ALA 53 CO 0.08 -1.12 1.27 0.41 0.00 0.00 0.00 179.25 179.90 2yru n GLY 54 N -1.53 -0.91 1.24 0.00 0.00 0.48 -4.70 105.19 99.76 2yru n GLY 54 Ca -0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2yru n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yru n GLY 55 N -1.82 0.95 0.10 -0.02 0.00 -0.10 -4.97 105.19 99.33 2yru n GLY 55 Ca 0.41 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2yru n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yru h LYS 56 N 0.00 0.00 -7.34 1.61 1.79 -0.87 -3.47 116.57 108.28 2yru h LYS 56 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2yru h LYS 56 Cb 0.65 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.39 2yru h LYS 56 CO 0.00 0.37 0.38 -0.51 -1.08 0.00 0.00 179.45 178.61 2yru s LEU 57 N -5.95 3.12 0.47 2.94 1.43 -1.10 -5.04 118.68 114.55 2yru s LEU 57 Ca -0.02 1.57 -0.07 0.00 -1.03 0.00 0.00 54.13 54.59 2yru s LEU 57 Cb 0.08 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2yru s LEU 57 CO 0.80 -1.39 0.79 -0.44 0.23 0.00 0.00 176.35 176.35 2yru s SER 58 N -3.86 6.32 0.13 2.29 0.01 -1.26 -4.97 113.70 112.37 2yru s SER 58 Ca 0.58 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 2yru s SER 58 Cb -0.14 -2.27 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 2yru s SER 58 CO 0.55 -0.54 1.68 0.40 0.41 0.00 0.00 173.24 175.74 2yru h ILE 59 N 0.41 1.20 0.00 1.44 2.04 -1.98 -1.23 117.51 119.38 2yru h ILE 59 Ca -0.47 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2yru h ILE 59 Cb 1.20 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2yru h ILE 59 CO 0.62 0.22 0.00 -0.81 0.00 0.00 0.00 178.15 178.18 2yru n PRO 60 N -4.64 0.55 0.03 2.37 -0.04 -1.26 -2.06 135.00 129.95 2yru n PRO 60 Ca 0.00 0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2yru n PRO 60 Cb 0.14 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 2yru n PRO 60 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yru n VAL 61 N -1.13 1.17 0.00 0.52 0.31 -0.50 -3.11 118.33 115.59 2yru n VAL 61 Ca 0.15 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.57 2yru n VAL 61 Cb 0.13 -0.72 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 2yru n VAL 61 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2yru h LYS 62 N 0.00 0.25 -0.58 5.55 1.57 -1.06 -2.84 116.57 119.46 2yru h LYS 62 Ca -0.17 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 2yru h LYS 62 Cb 1.59 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 2yru h LYS 62 CO 0.04 1.21 0.30 0.87 -0.57 0.00 0.00 179.45 181.30 2yru h LYS 63 N -0.07 0.81 -0.09 3.15 6.56 -1.58 -1.45 116.57 123.90 2yru h LYS 63 Ca -0.40 -0.09 -0.17 0.00 -1.06 0.00 0.00 60.65 58.94 2yru h LYS 63 Cb 1.95 -0.16 0.01 0.00 -0.57 0.00 0.00 32.23 33.45 2yru h LYS 63 CO 0.06 0.61 -0.59 0.00 -2.06 0.00 0.00 179.45 177.48 2yru h ARG 64 N 0.81 0.56 0.30 3.15 -0.00 -1.68 -3.28 114.38 114.25 2yru h ARG 64 Ca 0.21 -0.48 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 2yru h ARG 64 Cb 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.09 2yru h ARG 64 CO -0.03 1.11 -0.47 0.52 0.00 0.00 0.00 179.97 181.10 2yru h MET 65 N 0.18 -0.80 -0.94 0.04 2.86 -1.18 -1.54 114.93 113.56 2yru h MET 65 Ca -0.05 0.05 0.29 0.00 -2.06 0.00 0.00 59.70 57.93 2yru h MET 65 Cb 1.24 0.18 -0.17 0.00 0.06 0.00 0.00 31.60 32.90 2yru h MET 65 CO 0.12 -0.53 0.12 0.00 1.06 0.00 0.00 176.91 177.68 2yru n ALA 66 N -2.83 0.58 0.02 6.32 0.00 -0.59 -0.23 120.51 123.78 2yru n ALA 66 Ca -0.10 1.00 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 2yru n ALA 66 Cb 0.42 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 2yru n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yru h LEU 67 N 0.00 -0.30 -0.92 0.00 3.38 -1.34 1.19 115.31 117.32 2yru h LEU 67 Ca 0.62 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.88 2yru h LEU 67 Cb 1.36 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 42.08 2yru h LEU 67 CO -0.85 -0.11 0.34 0.25 0.09 0.00 0.00 178.44 178.16 2yru h LEU 68 N -0.15 0.15 0.06 1.67 6.46 -0.40 0.59 115.31 123.69 2yru h LEU 68 Ca -0.00 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2yru h LEU 68 Cb 0.15 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2yru h LEU 68 CO -0.05 -0.16 -0.03 0.58 -0.62 0.00 0.00 178.44 178.16 2yru h VAL 69 N 0.23 0.96 -0.63 1.05 2.07 0.30 -0.49 116.25 119.73 2yru h VAL 69 Ca 0.62 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 68.25 2yru h VAL 69 Cb 1.31 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2yru h VAL 69 CO -0.65 0.02 0.46 1.56 0.02 0.00 0.00 177.57 178.97 2yru h GLN 70 N -0.11 0.01 -0.06 1.57 1.08 0.68 0.10 115.11 118.37 2yru h GLN 70 Ca -0.01 -0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 2yru h GLN 70 Cb 0.09 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2yru h GLN 70 CO 0.01 0.01 -0.61 0.93 -0.95 0.00 0.00 178.83 178.22 2yru h GLU 71 N 0.01 0.52 0.00 1.46 4.39 0.09 -2.60 114.58 118.46 2yru h GLU 71 Ca 0.30 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2yru h GLU 71 Cb 1.20 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2yru h GLU 71 CO -0.01 1.11 -0.04 1.25 -1.16 0.00 0.00 179.01 180.17 2yru h LEU 72 N 0.10 0.00 -0.02 1.33 6.46 0.70 1.56 115.31 125.45 2yru h LEU 72 Ca -0.06 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.47 2yru h LEU 72 Cb 1.28 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.22 2yru h LEU 72 CO 0.12 0.04 -0.90 -0.07 -0.62 0.00 0.00 178.44 177.01 2yru h LEU 73 N 0.00 0.83 -0.24 2.25 3.38 -1.06 -3.00 115.31 117.47 2yru h LEU 73 Ca -0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2yru h LEU 73 Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2yru h LEU 73 CO 0.01 1.44 -0.04 1.41 0.09 0.00 0.00 178.44 181.35 2yru n HIS 74 N -3.96 0.00 -0.78 1.13 8.25 -0.41 -4.86 115.22 114.59 2yru n HIS 74 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2yru n HIS 74 Cb 0.81 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.82 2yru n HIS 74 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2yru n HIS 75 N -0.83 0.00 -0.74 4.41 8.25 0.11 -4.91 115.22 121.50 2yru n HIS 75 Ca 0.19 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.43 2yru n HIS 75 Cb 0.23 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 2yru n HIS 75 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2yru n GLN 76 N -2.08 2.09 0.03 -0.41 1.13 0.49 -4.56 117.38 114.08 2yru n GLN 76 Ca 0.00 -1.45 -0.10 0.00 -1.94 0.00 0.00 57.00 53.51 2yru n GLN 76 Cb 0.00 -2.44 -0.04 0.00 0.11 0.00 0.00 30.24 27.87 2yru n GLN 76 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2yru h TRP 77 N 6.26 -0.55 -0.80 1.08 4.06 -1.91 0.95 115.95 125.03 2yru h TRP 77 Ca 0.49 0.02 0.14 0.00 2.06 0.00 0.00 58.89 61.61 2yru h TRP 77 Cb 0.17 0.25 -0.14 0.00 -1.00 0.00 0.00 29.16 28.44 2yru h TRP 77 CO 1.95 -0.29 -0.31 -0.44 -3.56 0.00 0.00 178.44 175.79 2yru h ASP 78 N -0.30 -1.13 0.29 -3.49 3.32 -1.95 0.42 116.42 113.58 2yru h ASP 78 Ca 0.08 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2yru h ASP 78 Cb 0.41 0.62 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2yru h ASP 78 CO -0.24 -0.29 -0.26 0.00 -1.72 0.00 0.00 179.24 176.73 2yru h ALA 79 N 1.39 -0.56 -0.72 3.45 0.00 -1.64 -0.75 119.26 120.43 2yru h ALA 79 Ca 0.32 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.28 2yru h ALA 79 Cb 0.59 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 2yru h ALA 79 CO -0.84 -0.84 -0.23 0.00 0.00 0.00 0.00 179.25 177.34 2yru h ALA 80 N 0.05 0.35 -0.80 0.00 0.00 0.18 1.35 119.26 120.40 2yru h ALA 80 Ca -0.01 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 80 Cb 0.51 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2yru h ALA 80 CO -0.04 -0.48 0.52 0.22 0.00 0.00 0.00 179.25 179.47 2yru h ASP 81 N -0.04 0.70 0.84 0.00 3.58 0.21 0.83 116.42 122.54 2yru h ASP 81 Ca 0.33 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.75 2yru h ASP 81 Cb 0.55 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.47 2yru h ASP 81 CO -0.76 0.42 -0.41 -0.78 -2.88 0.00 0.00 179.24 174.84 2yru h ASP 82 N 0.78 -0.96 -0.40 2.28 3.58 0.32 0.14 116.42 122.16 2yru h ASP 82 Ca 0.36 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.85 2yru h ASP 82 Cb 0.38 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2yru h ASP 82 CO -0.14 -0.67 0.24 0.40 -2.88 0.00 0.00 179.24 176.20 2yru h ILE 83 N -1.17 1.06 -0.50 2.25 2.04 -0.28 -1.97 117.51 118.94 2yru h ILE 83 Ca -0.12 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.67 2yru h ILE 83 Cb 0.87 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 2yru h ILE 83 CO 0.19 0.09 -0.12 -0.74 0.00 0.00 0.00 178.15 177.57 2yru h HIS 84 N 0.49 -0.25 -0.10 1.37 -0.00 0.81 -0.73 115.15 116.74 2yru h HIS 84 Ca 0.15 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 2yru h HIS 84 Cb -0.02 0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 2yru h HIS 84 CO -0.06 -0.21 -0.18 0.00 -0.00 0.00 0.00 177.93 177.48 2yru h ARG 85 N 0.01 -0.23 -0.96 5.26 2.47 -0.14 0.41 114.38 121.19 2yru h ARG 85 Ca 0.24 0.02 0.23 0.00 -1.26 0.00 0.00 59.98 59.21 2yru h ARG 85 Cb 0.37 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.62 2yru h ARG 85 CO -0.51 -0.15 0.52 0.66 0.56 0.00 0.00 179.97 181.05 2yru h SER 86 N -0.24 0.55 -0.18 7.04 4.64 -0.46 0.79 113.55 125.70 2yru h SER 86 Ca 0.09 0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 2yru h SER 86 Cb 0.36 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2yru h SER 86 CO -0.24 0.07 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.32 2yru h LEU 87 N 0.52 0.66 0.00 5.97 3.38 0.05 -2.72 115.31 123.17 2yru h LEU 87 Ca 0.61 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2yru h LEU 87 Cb 1.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2yru h LEU 87 CO -0.49 1.10 0.00 0.23 0.09 0.00 0.00 178.44 179.37 2yru n MET 88 N -4.26 0.04 -0.06 1.13 2.81 0.13 -0.19 117.12 116.72 2yru n MET 88 Ca -0.06 0.25 -0.07 0.00 -1.81 0.00 0.00 57.70 56.01 2yru n MET 88 Cb 0.54 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 2yru n MET 88 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2yru h VAL 89 N 0.00 0.83 0.00 2.03 2.07 0.70 -3.37 116.25 118.51 2yru h VAL 89 Ca 0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2yru h VAL 89 Cb 0.20 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2yru h VAL 89 CO 0.00 0.28 -0.05 0.47 0.02 0.00 0.00 177.57 178.29 2yru n ASP 90 N -4.69 0.12 -3.28 0.57 8.00 -1.12 -4.54 116.55 111.60 2yru n ASP 90 Ca -0.06 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 2yru n ASP 90 Cb 0.24 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2yru n HIS 91 N -2.51 1.99 -0.08 1.24 8.25 0.74 -4.34 115.22 120.50 2yru n HIS 91 Ca -0.01 -2.55 -0.18 0.00 -0.26 0.00 0.00 57.72 54.72 2yru n HIS 91 Cb 0.02 -2.11 -0.12 0.00 1.12 0.00 0.00 29.99 28.90 2yru n HIS 91 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2yru h VAL 92 N 3.29 1.34 0.00 1.59 3.04 -1.68 -2.42 116.25 121.41 2yru h VAL 92 Ca 0.68 -2.28 -0.01 0.00 -1.01 0.00 0.00 66.70 64.09 2yru h VAL 92 Cb 0.26 2.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2yru h VAL 92 CO 1.65 0.48 -0.05 0.74 -1.01 0.00 0.00 177.57 179.38 2yru h THR 93 N -0.95 0.17 0.00 3.17 2.02 -1.90 0.16 112.91 115.57 2yru h THR 93 Ca -0.18 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2yru h THR 93 Cb 1.19 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2yru h THR 93 CO -0.09 0.05 -0.06 -0.33 0.37 0.00 0.00 175.52 175.45 2yru h GLU 94 N 0.00 0.00 -0.91 6.66 4.39 -1.88 -3.36 114.58 119.49 2yru h GLU 94 Ca -0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.76 2yru h GLU 94 Cb 0.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2yru h GLU 94 CO 0.01 0.00 0.59 -0.39 -1.16 0.00 0.00 179.01 178.06 2yru h VAL 95 N -0.85 1.06 -1.89 3.13 -1.51 -1.43 -3.43 116.25 111.33 2yru h VAL 95 Ca 0.00 -0.35 -0.33 0.00 -1.23 0.00 0.00 66.70 64.78 2yru h VAL 95 Cb 0.06 -0.05 0.18 0.00 -2.13 0.00 0.00 31.29 29.35 2yru h VAL 95 CO 0.00 0.19 -0.92 -1.54 -1.23 0.00 0.00 177.57 174.07 2yru n SER 96 N -4.49 -2.73 0.00 4.19 3.41 0.54 0.28 113.62 114.82 2yru n SER 96 Ca 0.14 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2yru n SER 96 Cb 0.20 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2yru n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yru n GLN 97 N -1.09 -0.19 0.00 4.33 6.02 -1.26 -4.11 117.38 121.07 2yru n GLN 97 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2yru n GLN 97 Cb 0.49 -3.30 0.00 0.00 1.02 0.00 0.00 30.24 28.45 2yru n GLN 97 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 2yru n TRP 98 N -2.20 -0.72 -0.30 1.08 4.27 -1.18 -4.83 117.44 113.56 2yru n TRP 98 Ca 0.00 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.72 2yru n TRP 98 Cb 0.05 0.14 0.22 0.00 -1.36 0.00 0.00 31.31 30.36 2yru n TRP 98 CO 0.00 0.00 0.00 -0.12 -2.29 0.00 0.00 177.69 175.28 2yru n MET 99 N -1.68 -0.07 -0.32 -2.67 1.56 0.14 0.18 117.12 114.27 2yru n MET 99 Ca 0.00 1.29 0.11 0.00 -0.27 0.00 0.00 57.70 58.84 2yru n MET 99 Cb 0.00 -2.02 0.24 0.00 2.15 0.00 0.00 33.22 33.59 2yru n MET 99 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 2yru h VAL 100 N 0.00 0.13 -0.20 1.12 -1.51 -1.92 0.81 116.25 114.68 2yru h VAL 100 Ca 0.49 -0.02 0.01 0.00 -1.23 0.00 0.00 66.70 65.96 2yru h VAL 100 Cb 0.95 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 2yru h VAL 100 CO -0.82 0.01 0.09 1.23 -1.23 0.00 0.00 177.57 176.84 2yru h GLY 101 N 0.05 0.25 0.93 5.19 0.00 0.17 -1.10 103.07 108.57 2yru h GLY 101 Ca 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 2yru h GLY 101 CO -0.84 0.05 -0.25 -2.08 0.00 0.00 0.00 176.54 173.41 2yru h VAL 102 N 0.19 0.47 -0.86 4.60 2.07 0.40 0.15 116.25 123.28 2yru h VAL 102 Ca 0.08 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.65 2yru h VAL 102 Cb 0.03 0.52 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 2yru h VAL 102 CO -0.07 0.02 -0.22 0.50 0.02 0.00 0.00 177.57 177.82 2yru h LYS 103 N -0.78 -0.00 0.04 1.57 3.64 0.43 0.33 116.57 121.80 2yru h LYS 103 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2yru h LYS 103 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2yru h LYS 103 CO 0.12 -0.00 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.19 2yru h ARG 104 N -0.00 -0.05 -0.69 1.90 9.65 -0.93 -2.97 114.38 121.29 2yru h ARG 104 Ca 0.41 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.36 2yru h ARG 104 Cb 0.63 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.12 2yru h ARG 104 CO -0.88 0.10 -0.57 1.25 2.80 0.00 0.00 179.97 182.66 2yru h LEU 105 N -0.19 -1.99 -0.82 3.80 6.46 0.25 0.18 115.31 123.00 2yru h LEU 105 Ca -0.01 0.28 0.09 0.00 -0.12 0.00 0.00 57.88 58.13 2yru h LEU 105 Cb 0.17 0.85 -0.11 0.00 -0.73 0.00 0.00 40.66 40.84 2yru h LEU 105 CO 0.01 -0.32 -0.55 0.40 -0.62 0.00 0.00 178.44 177.36 2yru h ILE 106 N -0.21 0.01 -0.66 4.05 2.04 -0.92 0.86 117.51 122.68 2yru h ILE 106 Ca 0.12 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.12 2yru h ILE 106 Cb 0.51 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 2yru h ILE 106 CO -0.76 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.38 2yru h ALA 107 N 0.47 0.64 0.49 1.87 0.00 -0.73 0.21 119.26 122.21 2yru h ALA 107 Ca 0.16 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2yru h ALA 107 Cb 0.49 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2yru h ALA 107 CO -0.84 -0.40 -0.27 0.93 0.00 0.00 0.00 179.25 178.67 2yru h GLU 108 N 0.10 -0.67 -0.97 0.00 4.39 0.30 0.11 114.58 117.85 2yru h GLU 108 Ca 0.35 0.05 0.23 0.00 0.34 0.00 0.00 59.36 60.32 2yru h GLU 108 Cb 0.58 0.15 -0.18 0.00 -0.10 0.00 0.00 28.75 29.20 2yru h GLU 108 CO -0.58 -0.45 -0.10 0.87 -1.16 0.00 0.00 179.01 177.59 2yru h LYS 109 N -0.70 0.01 -0.02 2.33 1.79 0.10 0.96 116.57 121.04 2yru h LYS 109 Ca -0.07 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2yru h LYS 109 Cb 0.55 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2yru h LYS 109 CO 0.09 0.01 -0.07 -0.22 -1.08 0.00 0.00 179.45 178.18 2yru h LYS 110 N 0.01 -0.11 -0.97 3.15 3.64 -0.34 -2.52 116.57 119.42 2yru h LYS 110 Ca 0.53 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 60.07 2yru h LYS 110 Cb 0.96 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.65 2yru h LYS 110 CO -0.95 -0.07 -0.38 0.45 -2.27 0.00 0.00 179.45 176.23 2yru n SER 111 N -5.19 -0.63 0.02 4.20 2.88 0.33 -0.39 113.62 114.83 2yru n SER 111 Ca -0.06 1.70 -0.11 0.00 -1.33 0.00 0.00 58.87 59.07 2yru n SER 111 Cb 0.12 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.12 2yru n SER 111 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2yru h LEU 112 N 0.00 -1.15 -7.88 2.46 4.07 -0.97 -3.17 115.31 108.67 2yru h LEU 112 Ca 0.34 0.13 -0.33 0.00 0.08 0.00 0.00 57.88 58.10 2yru h LEU 112 Cb 0.58 0.44 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 2yru h LEU 112 CO -0.96 -0.34 1.08 -0.24 -1.08 0.00 0.00 178.44 176.89 2yru n SER 113 N -4.51 2.90 -3.68 -0.43 2.88 0.47 -4.79 113.62 106.47 2yru n SER 113 Ca -0.05 -2.68 -0.30 0.00 -1.33 0.00 0.00 58.87 54.52 2yru n SER 113 Cb 0.26 -1.69 -0.14 0.00 -0.75 0.00 0.00 64.21 61.89 2yru n SER 113 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yru s GLY 114 N 6.53 1.10 -1.15 0.46 0.00 -1.20 -4.88 107.32 108.18 2yru s GLY 114 Ca 0.69 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 2yru s GLY 114 CO 0.14 1.69 1.98 -1.55 0.00 0.00 0.00 173.10 175.37 2yru n PRO 115 N 4.58 2.24 0.15 2.90 -0.04 -1.26 -3.41 135.00 140.16 2yru n PRO 115 Ca 0.01 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 2yru n PRO 115 Cb 0.40 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 2yru n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yru n SER 116 N 8.51 -2.63 0.08 3.54 3.41 -1.26 -5.04 113.62 120.22 2yru n SER 116 Ca 0.49 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2yru n SER 116 Cb 0.42 2.61 0.00 0.00 -0.26 0.00 0.00 64.21 66.98 2yru n SER 116 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yru n SER 117 N -3.17 0.35 0.00 4.04 2.88 -1.22 -5.32 113.62 111.17 2yru n SER 117 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2yru n SER 117 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42