#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yru n SER 2 N 0.00 0.00 -3.55 1.61 3.41 -1.26 -5.10 113.62 108.73 2yru n SER 2 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2yru n SER 2 Cb 0.00 0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 2yru n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yru s SER 3 N 0.80 2.37 -0.35 4.04 0.15 -1.26 -5.06 113.70 114.38 2yru s SER 3 Ca 0.00 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 55.90 2yru s SER 3 Cb 0.00 -0.06 0.19 0.00 -1.71 0.00 0.00 66.02 64.43 2yru s SER 3 CO 0.00 -0.37 0.93 -0.83 1.20 0.00 0.00 173.24 174.17 2yru s GLY 4 N 2.19 -1.48 0.75 9.45 0.00 -1.26 -5.17 107.32 111.80 2yru s GLY 4 Ca 0.05 0.96 -0.08 0.00 0.00 0.00 0.00 44.72 45.65 2yru s GLY 4 CO -0.19 4.13 1.08 -0.56 0.00 0.00 0.00 173.10 177.56 2yru s SER 5 N 1.89 4.58 -0.30 1.64 0.01 -1.26 -5.09 113.70 115.16 2yru s SER 5 Ca 0.15 0.48 -0.12 0.00 1.31 0.00 0.00 55.95 57.78 2yru s SER 5 Cb 0.02 -1.03 0.18 0.00 0.21 0.00 0.00 66.02 65.39 2yru s SER 5 CO -0.13 -1.78 0.97 -0.55 0.41 0.00 0.00 173.24 172.17 2yru s SER 6 N -4.57 -0.63 0.00 2.44 0.15 -1.26 -5.13 113.70 104.70 2yru s SER 6 Ca 0.62 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2yru s SER 6 Cb -0.10 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 2yru s SER 6 CO 0.46 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2yru n GLY 7 N 5.37 -0.88 3.33 9.45 0.00 -1.26 -5.17 105.19 116.02 2yru n GLY 7 Ca -0.06 0.89 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 2yru n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yru s VAL 8 N 0.00 -0.00 0.37 1.61 1.01 -1.26 -5.10 120.40 117.03 2yru s VAL 8 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2yru s VAL 8 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2yru s VAL 8 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.72 2yru n ILE 9 N 2.95 -4.72 -2.85 2.22 5.41 -1.26 -4.81 119.36 116.31 2yru n ILE 9 Ca -0.14 2.07 -0.35 0.00 1.00 0.00 0.00 62.75 65.32 2yru n ILE 9 Cb 0.57 -2.88 -0.01 0.00 -0.71 0.00 0.00 39.64 36.61 2yru n ILE 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2yru n GLU 10 N -0.26 4.37 0.03 0.38 0.28 -1.26 -4.83 120.64 119.36 2yru n GLU 10 Ca 0.00 -4.72 -0.10 0.00 -0.16 0.00 0.00 57.16 52.17 2yru n GLU 10 Cb 0.00 -2.38 -0.04 0.00 1.43 0.00 0.00 31.44 30.45 2yru n GLU 10 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2yru h SER 11 N 3.95 -0.40 -4.02 -1.84 0.87 -2.07 -3.48 113.55 106.55 2yru h SER 11 Ca 0.34 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2yru h SER 11 Cb 0.44 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2yru h SER 11 CO 1.05 -0.18 -0.88 -0.62 -0.53 0.00 0.00 176.83 175.67 2yru n GLU 12 N -5.27 -4.28 -4.40 2.24 1.02 -1.26 -5.01 120.64 103.67 2yru n GLU 12 Ca -0.04 3.21 -0.19 0.00 -0.02 0.00 0.00 57.16 60.12 2yru n GLU 12 Cb 0.19 -3.70 -0.14 0.00 -0.02 0.00 0.00 31.44 27.77 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 -3.81 0.89 0.03 2.62 2.01 -1.26 -5.11 115.64 111.00 2yru s THR 13 Ca 0.00 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2yru s THR 13 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2yru s THR 13 CO 0.00 0.14 0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 2yru s LEU 14 N -0.56 4.26 0.22 4.42 1.43 -1.26 -5.00 118.68 122.19 2yru s LEU 14 Ca 0.03 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2yru s LEU 14 Cb -0.05 -2.70 0.17 0.00 0.03 0.00 0.00 46.19 43.63 2yru s LEU 14 CO 0.00 0.22 1.78 -0.29 0.23 0.00 0.00 176.35 178.29 2yru h ILE 15 N 2.55 1.26 0.00 -0.59 2.10 -1.99 0.15 117.51 121.00 2yru h ILE 15 Ca -0.47 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 64.63 2yru h ILE 15 Cb 1.17 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2yru h ILE 15 CO 0.71 0.34 0.00 -0.62 -1.08 0.00 0.00 178.15 177.50 2yru n GLU 16 N -4.27 0.19 -0.07 2.19 1.02 -1.26 0.73 120.64 119.18 2yru n GLU 16 Ca 0.07 0.15 -0.05 0.00 -0.02 0.00 0.00 57.16 57.31 2yru n GLU 16 Cb 0.19 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.96 2yru n GLU 16 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yru n ASP 17 N -1.32 0.14 0.02 1.62 9.92 -0.06 -2.51 116.55 124.36 2yru n ASP 17 Ca 0.07 0.07 0.06 0.00 -0.53 0.00 0.00 54.79 54.46 2yru n ASP 17 Cb 0.14 1.03 -0.11 0.00 -0.64 0.00 0.00 41.12 41.54 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 -2.69 0.59 0.00 2.53 0.31 -0.58 -4.27 118.33 114.22 2yru n VAL 18 Ca -0.24 -0.60 -0.22 0.00 -0.01 0.00 0.00 64.34 63.27 2yru n VAL 18 Cb 1.01 -0.30 -0.14 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.40 -0.92 7.52 -0.00 0.13 -3.14 115.31 119.31 2yru h LEU 19 Ca -0.10 -0.93 0.15 0.00 -0.00 0.00 0.00 57.88 57.00 2yru h LEU 19 Cb 1.28 -0.13 -0.16 0.00 -0.00 0.00 0.00 40.66 41.65 2yru h LEU 19 CO 0.01 1.83 -0.32 0.54 -0.00 0.00 0.00 178.44 180.51 2yru n ARG 20 N -3.55 -0.17 0.03 1.13 5.12 -1.04 0.19 116.66 118.36 2yru n ARG 20 Ca -0.31 1.42 -0.09 0.00 -1.93 0.00 0.00 57.85 56.93 2yru n ARG 20 Cb 1.03 -2.11 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 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 -0.17 -1.34 5.56 0.13 -1.75 0.85 132.00 135.28 2yru h PRO 21 Ca 0.36 0.01 0.39 0.00 -0.87 0.00 0.00 66.00 65.89 2yru h PRO 21 Cb 0.59 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.68 2yru h PRO 21 CO -0.92 0.26 0.93 -0.07 -0.23 0.00 0.00 178.00 177.97 2yru h LEU 22 N -0.92 0.12 0.03 1.56 3.38 -1.19 0.40 115.31 118.69 2yru h LEU 22 Ca -0.02 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2yru h LEU 22 Cb 0.50 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2yru h LEU 22 CO 0.03 -0.02 -0.68 -0.33 0.09 0.00 0.00 178.44 177.53 2yru h GLU 23 N 0.09 0.06 -0.45 1.13 5.08 0.21 -3.25 114.58 117.44 2yru h GLU 23 Ca 0.69 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 59.08 2yru h GLU 23 Cb 2.47 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.74 2yru h GLU 23 CO -0.13 1.05 0.46 -0.56 -1.00 0.00 0.00 179.01 178.83 2yru h GLN 24 N -0.86 0.00 -0.10 2.33 -0.00 0.21 0.56 115.11 117.25 2yru h GLN 24 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.25 2yru h GLN 24 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.74 2yru h GLN 24 CO -0.05 0.00 -0.84 0.00 -0.00 0.00 0.00 178.83 177.94 2yru h ALA 25 N 1.50 0.32 0.46 0.06 0.00 -0.49 -3.04 119.26 118.07 2yru h ALA 25 Ca 0.21 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2yru h ALA 25 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2yru h ALA 25 CO -0.00 0.71 -0.24 1.25 0.00 0.00 0.00 179.25 180.96 2yru h LEU 26 N 0.45 -0.59 -0.77 0.00 5.85 0.08 -1.75 115.31 118.58 2yru h LEU 26 Ca -0.07 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.86 2yru h LEU 26 Cb 1.46 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.52 2yru h LEU 26 CO 0.16 -0.40 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.53 2yru h GLU 27 N -0.65 0.09 -0.64 1.25 4.39 -1.44 1.46 114.58 119.03 2yru h GLU 27 Ca -0.06 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2yru h GLU 27 Cb 0.51 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2yru h GLU 27 CO 0.08 0.06 0.42 -0.44 -1.16 0.00 0.00 179.01 177.98 2yru h ASP 28 N 0.09 0.60 0.13 1.42 3.32 -1.34 -0.17 116.42 120.48 2yru h ASP 28 Ca 0.42 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.23 2yru h ASP 28 Cb 0.75 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.18 2yru h ASP 28 CO -0.69 0.40 -0.95 0.00 -1.72 0.00 0.00 179.24 176.28 2yru h HIS 30 N 0.34 0.00 -0.23 0.00 -0.00 0.31 1.33 115.15 116.91 2yru h HIS 30 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2yru h HIS 30 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.00 2yru h HIS 30 CO 0.08 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.42 2yru n GLY 31 N -1.21 3.71 1.97 5.26 0.00 -0.81 -4.82 105.19 109.30 2yru n GLY 31 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2yru n GLY 31 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yru n HIS 32 N -0.35 -1.21 -1.53 1.61 8.25 0.24 -5.06 115.22 117.17 2yru n HIS 32 Ca 0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.25 2yru n HIS 32 Cb 0.68 0.49 0.07 0.00 1.12 0.00 0.00 29.99 32.35 2yru n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2yru n THR 33 N -2.48 3.57 -0.23 1.59 -1.04 0.39 -4.96 114.28 111.12 2yru n THR 33 Ca 0.00 -0.45 -0.16 0.00 -2.04 0.00 0.00 64.05 61.40 2yru n THR 33 Cb 0.00 -1.16 0.15 0.00 -1.82 0.00 0.00 70.33 67.50 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 -1.45 -2.62 -0.04 -2.82 5.02 -1.26 -4.58 118.16 110.40 2yru n LYS 34 Ca 0.14 -0.76 -0.01 0.00 -2.02 0.00 0.00 58.31 55.65 2yru n LYS 34 Cb 0.48 -1.15 -0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2yru n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2yru h LYS 35 N 0.00 0.00 -0.92 1.97 1.63 -1.94 -3.25 116.57 114.07 2yru h LYS 35 Ca -0.21 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.75 2yru h LYS 35 Cb 0.70 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.17 2yru h LYS 35 CO 0.12 0.00 -0.33 1.96 -3.45 0.00 0.00 179.45 177.75 2yru h GLN 36 N -0.69 -0.02 -0.22 1.90 1.08 -1.97 0.38 115.11 115.55 2yru h GLN 36 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2yru h GLN 36 Cb 0.13 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2yru h GLN 36 CO 0.00 -0.02 -0.40 -0.24 -0.95 0.00 0.00 178.83 177.22 2yru h VAL 37 N -0.03 0.00 0.02 -0.54 3.04 -1.95 0.29 116.25 117.09 2yru h VAL 37 Ca 0.36 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 66.07 2yru h VAL 37 Cb 0.62 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 2yru h VAL 37 CO -0.93 0.00 -0.46 0.00 -1.01 0.00 0.00 177.57 175.16 2yru h ASP 39 N -0.59 0.00 0.00 0.00 5.19 0.37 1.17 116.42 122.55 2yru h ASP 39 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2yru h ASP 39 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2yru h ASP 39 CO -0.30 0.00 -0.01 -0.78 -3.12 0.00 0.00 179.24 175.03 2yru h ASP 40 N 0.00 0.00 -0.32 6.45 3.58 0.39 -2.78 116.42 123.73 2yru h ASP 40 Ca 0.88 0.00 0.07 0.00 0.42 0.00 0.00 57.03 58.41 2yru h ASP 40 Cb 3.59 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 44.57 2yru h ASP 40 CO -0.01 0.49 -0.22 0.40 -2.88 0.00 0.00 179.24 177.01 2yru h ILE 41 N -0.96 0.40 -0.16 2.25 2.04 0.41 -1.63 117.51 119.86 2yru h ILE 41 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2yru h ILE 41 Cb 0.01 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 2yru h ILE 41 CO 0.00 0.00 -0.39 0.77 0.00 0.00 0.00 178.15 178.53 2yru h SER 42 N -0.19 -1.23 -1.41 1.72 4.64 0.96 0.20 113.55 118.25 2yru h SER 42 Ca 0.17 0.17 0.47 0.00 -0.47 0.00 0.00 61.79 62.13 2yru h SER 42 Cb 0.45 0.51 -0.13 0.00 -0.31 0.00 0.00 62.40 62.91 2yru h SER 42 CO -0.44 -0.40 0.92 0.03 -0.87 0.00 0.00 176.83 176.08 2yru h ARG 43 N -0.44 0.03 -0.04 4.77 3.08 -1.01 1.18 114.38 121.94 2yru h ARG 43 Ca 0.09 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2yru h ARG 43 Cb 0.60 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2yru h ARG 43 CO -0.41 0.02 -0.08 0.00 -1.07 0.00 0.00 179.97 178.43 2yru h ARG 44 N 0.03 0.12 -0.26 0.04 2.47 -0.24 -3.20 114.38 113.33 2yru h ARG 44 Ca 0.87 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 59.57 2yru h ARG 44 Cb 2.84 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 31.09 2yru h ARG 44 CO -0.42 0.67 -0.34 -0.07 0.56 0.00 0.00 179.97 180.37 2yru h LEU 45 N -0.41 -1.10 -0.97 3.04 3.38 0.21 0.51 115.31 119.96 2yru h LEU 45 Ca 0.00 0.17 0.30 0.00 0.09 0.00 0.00 57.88 58.45 2yru h LEU 45 Cb 0.67 0.49 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 2yru h LEU 45 CO 0.02 -0.35 0.21 0.00 0.09 0.00 0.00 178.44 178.41 2yru h ALA 46 N 0.52 1.47 0.09 1.53 0.00 -1.25 0.55 119.26 122.17 2yru h ALA 46 Ca 0.13 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2yru h ALA 46 Cb 0.55 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2yru h ALA 46 CO -0.45 -0.65 -0.04 1.25 0.00 0.00 0.00 179.25 179.36 2yru h LEU 47 N 0.05 -0.10 -0.86 0.00 6.46 -0.68 -1.45 115.31 118.73 2yru h LEU 47 Ca 0.66 -0.45 0.13 0.00 -0.12 0.00 0.00 57.88 58.10 2yru h LEU 47 Cb 1.48 0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 41.29 2yru h LEU 47 CO -0.82 0.44 -0.39 0.25 -0.62 0.00 0.00 178.44 177.29 2yru h LEU 48 N -0.68 -1.42 -0.08 2.25 5.85 0.46 1.25 115.31 122.93 2yru h LEU 48 Ca -0.01 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2yru h LEU 48 Cb 0.54 0.72 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2yru h LEU 48 CO 0.02 -0.29 0.05 -0.09 -0.34 0.00 0.00 178.44 177.78 2yru h ARG 49 N -0.06 0.11 -0.53 1.25 2.43 -0.58 0.56 114.38 117.55 2yru h ARG 49 Ca 0.29 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 2yru h ARG 49 Cb 0.57 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 2yru h ARG 49 CO -0.89 0.14 0.11 0.93 -1.51 0.00 0.00 179.97 178.76 2yru h GLU 50 N 0.05 0.24 -0.27 0.20 5.08 0.67 1.54 114.58 122.10 2yru h GLU 50 Ca 0.03 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2yru h GLU 50 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2yru h GLU 50 CO -0.00 0.16 -0.41 1.96 -1.00 0.00 0.00 179.01 179.71 2yru h GLN 51 N 0.25 0.64 0.41 2.33 4.20 0.16 1.49 115.11 124.59 2yru h GLN 51 Ca 0.27 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2yru h GLN 51 Cb 0.37 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2yru h GLN 51 CO -0.35 0.93 -0.20 2.35 -0.67 0.00 0.00 178.83 180.90 2yru h TRP 52 N 0.52 -0.51 0.44 2.96 2.91 0.17 0.10 115.95 122.55 2yru h TRP 52 Ca 0.04 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 2yru h TRP 52 Cb 0.93 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2yru h TRP 52 CO 0.04 -0.32 -0.21 0.00 -1.03 0.00 0.00 178.44 176.93 2yru h ALA 53 N -1.54 -0.58 -1.07 2.65 0.00 0.21 -2.41 119.26 116.51 2yru h ALA 53 Ca -0.06 -0.14 0.39 0.00 0.00 0.00 0.00 54.91 55.11 2yru h ALA 53 Cb 0.42 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 2yru h ALA 53 CO 0.09 -0.81 0.65 0.41 0.00 0.00 0.00 179.25 179.60 2yru n GLY 54 N -1.21 -0.69 0.24 0.00 0.00 0.51 -4.72 105.19 99.31 2yru n GLY 54 Ca -0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.37 1.45 0.08 -0.02 0.00 -0.91 -4.98 105.19 99.44 2yru n GLY 55 Ca 0.34 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.28 2yru n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yru n LYS 56 N -1.45 0.64 -1.55 1.61 5.02 0.26 -4.93 118.16 117.75 2yru n LYS 56 Ca 0.00 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 2yru n LYS 56 Cb 0.04 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 33.41 2yru n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2yru s LEU 57 N -5.31 3.19 0.23 -0.35 1.43 -0.59 -5.01 118.68 112.27 2yru s LEU 57 Ca -0.05 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2yru s LEU 57 Cb 0.10 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2yru s LEU 57 CO 0.84 -1.67 0.41 -0.94 0.23 0.00 0.00 176.35 175.21 2yru s SER 58 N -3.27 6.36 0.17 2.29 1.04 -1.26 -4.99 113.70 114.05 2yru s SER 58 Ca 0.62 0.36 -0.15 0.00 0.48 0.00 0.00 55.95 57.26 2yru s SER 58 Cb -0.17 -1.99 0.05 0.00 0.10 0.00 0.00 66.02 64.01 2yru s SER 58 CO 0.50 -0.08 1.83 0.40 0.98 0.00 0.00 173.24 176.87 2yru h ILE 59 N 1.39 1.13 0.00 -1.02 2.04 -2.00 0.11 117.51 119.16 2yru h ILE 59 Ca -0.49 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2yru h ILE 59 Cb 1.20 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2yru h ILE 59 CO 0.66 0.13 0.00 -0.81 0.00 0.00 0.00 178.15 178.13 2yru n PRO 60 N -4.73 0.51 0.06 2.37 -0.04 -1.26 -2.00 135.00 129.91 2yru n PRO 60 Ca 0.02 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2yru n PRO 60 Cb 0.03 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.16 0.67 -0.05 0.52 0.31 -0.03 -3.19 118.33 115.40 2yru n VAL 61 Ca 0.14 -0.58 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 2yru n VAL 61 Cb 0.14 -0.37 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 2yru n VAL 61 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2yru n LYS 62 N -2.66 0.70 -0.09 5.55 5.02 -0.89 -2.95 118.16 122.84 2yru n LYS 62 Ca -0.04 0.29 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2yru n LYS 62 Cb 0.64 -1.66 0.30 0.00 -0.02 0.00 0.00 35.03 34.28 2yru n LYS 62 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2yru h LYS 63 N -0.17 0.72 -0.09 1.97 6.56 -1.57 -1.16 116.57 122.83 2yru h LYS 63 Ca -0.46 -0.08 -0.10 0.00 -1.06 0.00 0.00 60.65 58.94 2yru h LYS 63 Cb 1.87 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 2yru h LYS 63 CO -0.03 0.56 -0.34 0.00 -2.06 0.00 0.00 179.45 177.58 2yru h ARG 64 N 0.72 0.39 0.31 3.15 3.08 -1.70 -3.27 114.38 117.06 2yru h ARG 64 Ca 0.18 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2yru h ARG 64 Cb 0.08 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2yru h ARG 64 CO -0.02 0.93 -0.45 0.52 -1.07 0.00 0.00 179.97 179.87 2yru h MET 65 N -0.06 -0.79 -1.15 0.04 2.86 -1.34 -0.84 114.93 113.64 2yru h MET 65 Ca -0.02 0.05 0.44 0.00 -2.06 0.00 0.00 59.70 58.12 2yru h MET 65 Cb 0.98 0.18 -0.16 0.00 0.06 0.00 0.00 31.60 32.66 2yru h MET 65 CO 0.07 -0.53 0.69 0.00 1.06 0.00 0.00 176.91 178.20 2yru n ALA 66 N -2.81 1.16 0.20 6.32 0.00 -0.48 0.36 120.51 125.27 2yru n ALA 66 Ca -0.10 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 2yru n ALA 66 Cb 0.41 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.75 -0.88 0.00 3.38 -1.20 1.38 115.31 117.23 2yru h LEU 67 Ca 0.85 0.05 0.19 0.00 0.09 0.00 0.00 57.88 59.06 2yru h LEU 67 Cb 2.47 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 43.35 2yru h LEU 67 CO -0.62 -0.40 0.42 0.25 0.09 0.00 0.00 178.44 178.18 2yru h LEU 68 N -0.62 0.44 0.61 1.67 6.46 0.05 -0.11 115.31 123.80 2yru h LEU 68 Ca -0.05 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2yru h LEU 68 Cb 0.52 0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2yru h LEU 68 CO 0.01 0.10 -0.29 0.58 -0.62 0.00 0.00 178.44 178.21 2yru h VAL 69 N 0.51 0.37 -1.10 1.05 2.07 -0.40 -0.10 116.25 118.65 2yru h VAL 69 Ca 0.52 -0.11 0.33 0.00 0.82 0.00 0.00 66.70 68.26 2yru h VAL 69 Cb 0.90 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 2yru h VAL 69 CO -0.46 0.02 0.68 1.56 0.02 0.00 0.00 177.57 179.39 2yru h GLN 70 N -0.90 0.30 0.08 1.57 1.08 0.35 0.26 115.11 117.84 2yru h GLN 70 Ca -0.08 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2yru h GLN 70 Cb 0.66 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2yru h GLN 70 CO 0.14 0.20 -0.04 0.93 -0.95 0.00 0.00 178.83 179.11 2yru h GLU 71 N 0.31 -0.10 -0.44 1.46 4.39 -0.58 -2.76 114.58 116.87 2yru h GLU 71 Ca 0.70 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.53 2yru h GLU 71 Cb 1.82 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 2yru h GLU 71 CO -0.44 0.35 0.48 1.25 -1.16 0.00 0.00 179.01 179.49 2yru h LEU 72 N -0.59 0.00 -0.10 1.33 6.46 0.13 0.46 115.31 123.00 2yru h LEU 72 Ca -0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 2yru h LEU 72 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2yru h LEU 72 CO 0.02 0.00 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.57 2yru h LEU 73 N 0.00 0.35 0.00 2.25 3.38 -0.74 -2.77 115.31 117.78 2yru h LEU 73 Ca 0.21 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2yru h LEU 73 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2yru h LEU 73 CO -0.00 0.84 0.00 1.41 0.09 0.00 0.00 178.44 180.78 2yru n HIS 74 N -4.53 0.00 -0.17 1.13 8.25 0.13 -4.83 115.22 115.20 2yru n HIS 74 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2yru n HIS 74 Cb 0.41 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.09 0.00 -1.73 4.41 8.25 0.74 -4.95 115.22 120.85 2yru n HIS 75 Ca 0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 2yru n HIS 75 Cb 0.14 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 2yru n HIS 75 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2yru s GLN 76 N -0.43 1.63 0.11 -0.41 -1.52 0.69 -4.62 119.66 115.11 2yru s GLN 76 Ca 0.00 -0.40 -0.05 0.00 -1.95 0.00 0.00 55.36 52.96 2yru s GLN 76 Cb 0.00 -5.00 -0.14 0.00 -0.22 0.00 0.00 33.01 27.64 2yru s GLN 76 CO 0.00 -4.84 1.26 -1.49 -0.25 0.00 0.00 175.29 169.97 2yru h TRP 77 N 11.41 0.63 -0.55 0.91 4.06 -1.92 -2.01 115.95 128.47 2yru h TRP 77 Ca 0.06 -0.37 0.06 0.00 2.06 0.00 0.00 58.89 60.70 2yru h TRP 77 Cb 0.99 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 29.05 2yru h TRP 77 CO 1.10 1.21 0.37 -0.44 -3.56 0.00 0.00 178.44 177.11 2yru h ASP 78 N 0.21 0.46 0.00 -3.49 5.19 -1.97 -0.64 116.42 116.18 2yru h ASP 78 Ca -0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2yru h ASP 78 Cb 1.67 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2yru h ASP 78 CO 0.18 0.30 -0.02 0.00 -3.12 0.00 0.00 179.24 176.58 2yru h ALA 79 N 1.70 0.00 -0.76 3.45 0.00 -1.91 -2.44 119.26 119.30 2yru h ALA 79 Ca 0.24 -0.43 0.16 0.00 0.00 0.00 0.00 54.91 54.88 2yru h ALA 79 Cb 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 2yru h ALA 79 CO -0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 179.25 179.00 2yru h ALA 80 N 0.16 0.61 -0.45 0.00 0.00 -0.72 0.58 119.26 119.45 2yru h ALA 80 Ca -0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2yru h ALA 80 Cb 0.86 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2yru h ALA 80 CO 0.00 -0.42 0.18 0.22 0.00 0.00 0.00 179.25 179.24 2yru h ASP 81 N 0.03 0.61 -0.17 0.00 1.82 -1.21 0.55 116.42 118.06 2yru h ASP 81 Ca 0.38 -0.16 0.05 0.00 -0.39 0.00 0.00 57.03 56.91 2yru h ASP 81 Cb 0.63 -0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.41 2yru h ASP 81 CO -0.74 0.61 -0.36 -0.78 -1.61 0.00 0.00 179.24 176.36 2yru h ASP 82 N 0.58 -1.14 -0.15 2.28 1.82 0.51 0.59 116.42 120.90 2yru h ASP 82 Ca 0.15 0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.94 2yru h ASP 82 Cb 0.18 0.48 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 2yru h ASP 82 CO -0.01 -0.38 0.04 0.40 -1.61 0.00 0.00 179.24 177.68 2yru h ILE 83 N -0.42 1.19 -1.02 2.25 2.04 -0.44 -1.85 117.51 119.26 2yru h ILE 83 Ca 0.10 -0.60 0.26 0.00 1.00 0.00 0.00 64.86 65.62 2yru h ILE 83 Cb 0.58 1.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.84 2yru h ILE 83 CO -0.40 0.18 0.62 -0.74 0.00 0.00 0.00 178.15 177.82 2yru h HIS 84 N 0.06 0.89 0.39 1.37 -0.00 0.96 -0.00 115.15 118.82 2yru h HIS 84 Ca 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2yru h HIS 84 Cb 0.24 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2yru h HIS 84 CO 0.00 0.05 -0.19 0.00 -0.00 0.00 0.00 177.93 177.80 2yru h ARG 85 N 0.51 -0.50 -1.21 5.26 2.47 0.64 -1.65 114.38 119.90 2yru h ARG 85 Ca 0.64 0.03 0.35 0.00 -1.26 0.00 0.00 59.98 59.74 2yru h ARG 85 Cb 1.35 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 29.69 2yru h ARG 85 CO -0.42 -0.19 0.81 0.66 0.56 0.00 0.00 179.97 181.39 2yru h SER 86 N -0.90 0.25 -0.18 7.04 4.64 -0.29 1.25 113.55 125.37 2yru h SER 86 Ca -0.05 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 2yru h SER 86 Cb 0.55 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2yru h SER 86 CO 0.09 -0.01 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.22 2yru h LEU 87 N 0.19 0.96 0.00 5.97 3.38 -0.90 -2.77 115.31 122.13 2yru h LEU 87 Ca 0.66 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2yru h LEU 87 Cb 2.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2yru h LEU 87 CO -0.23 1.41 0.00 0.23 0.09 0.00 0.00 178.44 179.94 2yru n MET 88 N -3.95 0.06 -0.01 1.13 2.81 0.41 -0.88 117.12 116.69 2yru n MET 88 Ca -0.07 0.24 -0.01 0.00 -1.81 0.00 0.00 57.70 56.05 2yru n MET 88 Cb 0.73 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.00 0.00 2.03 2.07 -0.74 -3.38 116.25 116.23 2yru h VAL 89 Ca 0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2yru h VAL 89 Cb 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2yru h VAL 89 CO 0.00 0.00 -0.01 0.47 0.02 0.00 0.00 177.57 178.05 2yru n ASP 90 N -4.42 0.02 -3.30 0.57 8.00 -1.18 -4.56 116.55 111.69 2yru n ASP 90 Ca -0.01 0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 2yru n ASP 90 Cb 0.03 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.42 1.92 -0.10 1.24 8.25 -0.06 -4.30 115.22 119.75 2yru n HIS 91 Ca -0.00 -2.40 -0.21 0.00 -0.26 0.00 0.00 57.72 54.85 2yru n HIS 91 Cb 0.00 -2.01 -0.12 0.00 1.12 0.00 0.00 29.99 28.99 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 3.42 1.03 0.00 1.59 3.04 -1.62 -2.97 116.25 120.75 2yru h VAL 92 Ca 0.62 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 2yru h VAL 92 Cb 0.28 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2yru h VAL 92 CO 1.64 0.35 0.00 0.41 -1.01 0.00 0.00 177.57 178.96 2yru n THR 93 N -4.46 0.97 -0.07 3.17 -1.04 -1.26 -0.43 114.28 111.17 2yru n THR 93 Ca -0.29 0.24 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 2yru n THR 93 Cb 0.65 -0.99 -0.02 0.00 -1.82 0.00 0.00 70.33 68.15 2yru n THR 93 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2yru h GLU 94 N 0.00 0.00 -0.16 -2.82 5.08 -1.88 -3.38 114.58 111.42 2yru h GLU 94 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2yru h GLU 94 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2yru h GLU 94 CO 0.00 0.09 -0.18 -0.39 -1.00 0.00 0.00 179.01 177.53 2yru h VAL 95 N -1.00 1.21 -2.13 3.13 -1.51 -1.50 -3.44 116.25 111.01 2yru h VAL 95 Ca -0.03 -0.95 -0.44 0.00 -1.23 0.00 0.00 66.70 64.05 2yru h VAL 95 Cb 0.53 1.29 0.23 0.00 -2.13 0.00 0.00 31.29 31.21 2yru h VAL 95 CO -0.02 0.29 -1.21 -1.54 -1.23 0.00 0.00 177.57 173.87 2yru n SER 96 N -4.22 -2.49 0.00 4.19 3.41 0.43 0.70 113.62 115.64 2yru n SER 96 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2yru n SER 96 Cb 0.31 -0.89 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 1.67 -0.16 0.00 0.00 175.04 176.55 2yru n GLN 97 N -1.63 0.00 0.00 4.33 7.27 -1.26 -4.20 117.38 121.88 2yru n GLN 97 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2yru n GLN 97 Cb 0.62 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 30.50 2yru n GLN 97 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 2yru n TRP 98 N -2.00 -0.82 -0.63 3.69 4.27 -1.17 -4.83 117.44 115.95 2yru n TRP 98 Ca 0.00 0.00 0.47 0.00 -3.89 0.00 0.00 57.50 54.08 2yru n TRP 98 Cb 0.00 0.16 0.73 0.00 -1.36 0.00 0.00 31.31 30.85 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 -1.74 -0.00 -0.08 -2.67 1.56 0.22 0.22 117.12 114.62 2yru n MET 99 Ca 0.00 0.98 -0.07 0.00 -0.27 0.00 0.00 57.70 58.34 2yru n MET 99 Cb 0.00 -2.24 0.00 0.00 2.15 0.00 0.00 33.22 33.13 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 0.87 0.62 1.12 -1.51 -1.91 0.32 116.25 115.76 2yru h VAL 100 Ca 0.84 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 66.22 2yru h VAL 100 Cb 3.36 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 33.18 2yru h VAL 100 CO -0.03 0.03 -0.40 1.23 -1.23 0.00 0.00 177.57 177.17 2yru h GLY 101 N 0.19 -1.16 -0.49 5.19 0.00 0.23 -2.22 103.07 104.81 2yru h GLY 101 Ca 0.14 0.48 0.19 0.00 0.00 0.00 0.00 47.33 48.14 2yru h GLY 101 CO -0.17 -0.39 0.00 -2.08 0.00 0.00 0.00 176.54 173.90 2yru h VAL 102 N -0.97 0.27 -0.42 4.60 2.07 -1.48 0.39 116.25 120.71 2yru h VAL 102 Ca -0.08 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2yru h VAL 102 Cb 0.78 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 2yru h VAL 102 CO 0.07 0.02 -0.41 0.50 0.02 0.00 0.00 177.57 177.77 2yru h LYS 103 N 0.09 -0.29 0.02 1.57 3.11 -0.59 0.11 116.57 120.58 2yru h LYS 103 Ca 0.45 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.31 2yru h LYS 103 Cb 0.81 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2yru h LYS 103 CO -0.72 -0.19 -0.01 -0.09 -2.81 0.00 0.00 179.45 175.62 2yru h ARG 104 N -0.30 -0.03 -0.88 1.90 9.65 0.05 -2.74 114.38 122.02 2yru h ARG 104 Ca 0.15 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.19 2yru h ARG 104 Cb 0.58 0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.00 2yru h ARG 104 CO -0.58 0.02 -0.29 1.25 2.80 0.00 0.00 179.97 183.18 2yru h LEU 105 N -0.07 -1.05 -0.22 3.80 6.46 0.88 0.19 115.31 125.29 2yru h LEU 105 Ca -0.00 0.28 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 2yru h LEU 105 Cb 0.06 0.62 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 2yru h LEU 105 CO 0.00 -0.30 -0.45 0.40 -0.62 0.00 0.00 178.44 177.48 2yru h ILE 106 N -0.02 0.00 -0.70 4.05 2.04 -0.54 0.67 117.51 123.01 2yru h ILE 106 Ca 0.38 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.37 2yru h ILE 106 Cb 0.62 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.57 2yru h ILE 106 CO -0.91 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.01 2yru h ALA 107 N -0.40 0.31 0.28 1.87 0.00 -0.62 0.22 119.26 120.93 2yru h ALA 107 Ca 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2yru h ALA 107 Cb 0.51 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2yru h ALA 107 CO -0.42 -0.50 -0.27 0.93 0.00 0.00 0.00 179.25 178.99 2yru h GLU 108 N -0.05 -0.53 -0.95 0.00 4.39 0.86 0.85 114.58 119.16 2yru h GLU 108 Ca 0.32 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.21 2yru h GLU 108 Cb 0.54 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.16 2yru h GLU 108 CO -0.74 -0.35 -0.36 0.87 -1.16 0.00 0.00 179.01 177.26 2yru h LYS 109 N -0.55 -0.02 0.19 2.33 1.79 0.12 1.36 116.57 121.79 2yru h LYS 109 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2yru h LYS 109 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2yru h LYS 109 CO -0.03 -0.01 -0.18 -0.22 -1.08 0.00 0.00 179.45 177.94 2yru h LYS 110 N -0.02 -0.38 -0.54 3.15 3.64 -0.26 -2.35 116.57 119.81 2yru h LYS 110 Ca 0.35 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.86 2yru h LYS 110 Cb 0.61 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 2yru h LYS 110 CO -0.95 -0.25 0.05 1.03 -2.27 0.00 0.00 179.45 177.06 2yru h SER 111 N -0.39 -0.12 -0.59 4.20 0.87 0.54 0.30 113.55 118.37 2yru h SER 111 Ca -0.00 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.78 2yru h SER 111 Cb 0.36 0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.39 2yru h SER 111 CO -0.03 -0.04 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.85 2yru h LEU 112 N 0.18 -1.08 0.31 2.23 3.38 0.20 -1.31 115.31 119.22 2yru h LEU 112 Ca 0.28 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 2yru h LEU 112 Cb 0.41 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2yru h LEU 112 CO -0.41 -0.30 -0.15 -1.28 0.09 0.00 0.00 178.44 176.40 2yru h SER 113 N -0.15 -0.35 -5.03 -0.43 0.87 -0.69 -3.48 113.55 104.28 2yru h SER 113 Ca 0.24 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2yru h SER 113 Cb 0.54 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2yru h SER 113 CO -0.67 -0.10 -0.03 0.61 -0.53 0.00 0.00 176.83 176.11 2yru n GLY 114 N -0.74 -1.09 2.85 5.77 0.00 0.93 -4.83 105.19 108.07 2yru n GLY 114 Ca -0.10 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2yru n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yru n PRO 115 N -1.71 2.24 -2.32 1.61 -0.04 -1.26 -4.91 135.00 128.61 2yru n PRO 115 Ca -0.00 -2.14 -0.26 0.00 -0.04 0.00 0.00 63.50 61.06 2yru n PRO 115 Cb 0.50 -3.02 0.05 0.00 -0.04 0.00 0.00 33.50 30.99 2yru n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yru s SER 116 N 3.95 5.30 0.50 3.54 1.04 -1.26 -5.08 113.70 121.69 2yru s SER 116 Ca 0.52 0.62 -0.04 0.00 0.48 0.00 0.00 55.95 57.53 2yru s SER 116 Cb 0.14 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 2yru s SER 116 CO 0.01 -1.26 0.78 -0.44 0.98 0.00 0.00 173.24 173.31 2yru s SER 117 N -4.38 6.05 0.00 7.02 0.01 -1.26 -5.29 113.70 115.84 2yru s SER 117 Ca 0.56 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2yru s SER 117 Cb -0.11 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2yru s SER 117 CO 0.45 -0.69 0.28 0.61 0.41 0.00 0.00 173.24 174.29