#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 1.07 -0.07 1.61 1.04 -1.26 -5.15 113.70 110.93 2yru s SER 2 Ca 0.00 -0.69 -0.32 0.00 0.48 0.00 0.00 55.95 55.42 2yru s SER 2 Cb 0.00 0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.30 2yru s SER 2 CO 0.00 -0.26 1.38 -0.55 0.98 0.00 0.00 173.24 174.80 2yru s SER 3 N -2.02 -0.02 0.00 7.02 0.15 -1.26 -5.18 113.70 112.39 2yru s SER 3 Ca -0.03 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2yru s SER 3 Cb -0.06 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2yru s SER 3 CO -0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2yru n GLY 4 N -0.48 5.38 3.34 9.45 0.00 -1.26 -5.18 105.19 116.43 2yru n GLY 4 Ca -0.09 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2yru n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yru s SER 5 N 1.00 -0.41 0.11 1.61 0.15 -1.26 -5.17 113.70 109.73 2yru s SER 5 Ca 0.00 0.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.09 2yru s SER 5 Cb 0.00 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 2yru s SER 5 CO 0.00 -0.30 0.49 -0.44 1.20 0.00 0.00 173.24 174.18 2yru s SER 6 N -0.42 -0.38 0.39 5.45 0.01 -1.26 -5.17 113.70 112.31 2yru s SER 6 Ca -0.06 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 2yru s SER 6 Cb -0.03 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 2yru s SER 6 CO 0.03 -0.85 0.64 -0.83 0.41 0.00 0.00 173.24 172.64 2yru s GLY 7 N -2.57 1.52 -0.13 3.44 0.00 -1.26 -5.10 107.32 103.21 2yru s GLY 7 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 2yru s GLY 7 CO -0.10 -0.56 0.71 0.54 0.00 0.00 0.00 173.10 173.69 2yru s VAL 8 N -2.42 0.00 -0.02 1.40 0.11 -1.26 -5.17 120.40 113.04 2yru s VAL 8 Ca 0.44 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2yru s VAL 8 Cb -0.10 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2yru s VAL 8 CO 0.38 0.00 0.05 -0.63 -3.33 0.00 0.00 175.10 171.56 2yru s ILE 9 N -0.62 -0.03 -0.12 7.04 1.01 -1.26 -5.15 121.20 122.07 2yru s ILE 9 Ca -0.07 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.37 2yru s ILE 9 Cb -0.02 -0.09 0.13 0.00 0.01 0.00 0.00 42.46 42.49 2yru s ILE 9 CO 0.06 0.04 1.08 -1.83 0.00 0.00 0.00 174.94 174.30 2yru s GLU 10 N 0.57 0.50 -0.04 2.79 -1.05 -1.26 -5.11 118.70 115.10 2yru s GLU 10 Ca -0.05 -0.16 -0.04 0.00 -0.15 0.00 0.00 54.97 54.58 2yru s GLU 10 Cb -0.07 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2yru s GLU 10 CO -0.02 -0.21 0.07 0.43 0.95 0.00 0.00 175.26 176.48 2yru n SER 11 N -0.06 -6.54 -3.80 0.83 7.64 -1.26 -4.98 113.62 105.45 2yru n SER 11 Ca -0.04 1.61 -0.30 0.00 1.01 0.00 0.00 58.87 61.16 2yru n SER 11 Cb 0.59 -4.99 0.26 0.00 -1.01 0.00 0.00 64.21 59.07 2yru n SER 11 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2yru s GLU 12 N -0.71 -1.92 0.03 1.43 -1.05 -1.26 -5.05 118.70 110.17 2yru s GLU 12 Ca -0.08 0.20 0.03 0.00 -0.15 0.00 0.00 54.97 54.98 2yru s GLU 12 Cb 0.01 -1.49 -0.02 0.00 -0.44 0.00 0.00 34.13 32.19 2yru s GLU 12 CO 0.22 -4.23 -0.11 0.99 0.95 0.00 0.00 175.26 173.08 2yru s THR 13 N -2.57 0.82 0.05 1.83 2.01 -1.26 -5.10 115.64 111.42 2yru s THR 13 Ca 0.69 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 2yru s THR 13 Cb -0.14 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2yru s THR 13 CO 0.58 -0.05 0.24 -0.76 -0.69 0.00 0.00 174.62 173.95 2yru s LEU 14 N -0.98 4.35 0.07 4.42 1.43 -1.26 -5.01 118.68 121.70 2yru s LEU 14 Ca -0.01 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2yru s LEU 14 Cb -0.07 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 2yru s LEU 14 CO 0.01 0.18 1.52 -0.29 0.23 0.00 0.00 176.35 178.00 2yru h ILE 15 N 2.40 1.24 0.00 -0.59 2.10 -1.98 -1.64 117.51 119.04 2yru h ILE 15 Ca -0.47 -0.83 0.00 0.00 1.08 0.00 0.00 64.86 64.64 2yru h ILE 15 Cb 1.17 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 2yru h ILE 15 CO 0.72 0.25 0.00 -0.62 -1.08 0.00 0.00 178.15 177.43 2yru n GLU 16 N -4.71 0.04 -0.02 2.19 1.02 -1.26 0.12 120.64 118.03 2yru n GLU 16 Ca -0.04 0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 57.44 2yru n GLU 16 Cb 0.22 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 2yru n GLU 16 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2yru h ASP 17 N 0.00 0.00 0.33 1.62 5.19 -1.73 -1.53 116.42 120.31 2yru h ASP 17 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2yru h ASP 17 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2yru h ASP 17 CO 0.00 0.99 -1.48 0.52 -3.12 0.00 0.00 179.24 176.15 2yru n VAL 18 N -3.06 0.19 -0.02 -1.35 0.31 -0.04 -4.22 118.33 110.14 2yru n VAL 18 Ca -0.16 -0.42 -0.18 0.00 -0.01 0.00 0.00 64.34 63.57 2yru n VAL 18 Cb 1.04 0.04 -0.14 0.00 -0.91 0.00 0.00 33.84 33.87 2yru n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2yru n LEU 19 N -2.24 2.19 -0.33 7.52 7.99 0.33 -3.27 117.00 129.20 2yru n LEU 19 Ca -0.01 0.20 0.02 0.00 -0.01 0.00 0.00 56.01 56.21 2yru n LEU 19 Cb 0.52 -0.75 0.09 0.00 -0.11 0.00 0.00 43.42 43.17 2yru n LEU 19 CO 0.43 0.75 0.65 0.03 -1.51 0.00 0.00 177.39 177.74 2yru h ARG 20 N 0.04 -0.02 0.09 3.23 2.47 -1.44 0.95 114.38 119.70 2yru h ARG 20 Ca -0.42 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2yru h ARG 20 Cb 2.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.35 2yru h ARG 20 CO 0.06 -0.01 -0.04 -1.00 0.56 0.00 0.00 179.97 179.54 2yru h PRO 21 N -0.02 -0.12 -1.18 0.04 0.13 -1.76 -1.90 132.00 127.20 2yru h PRO 21 Ca 0.39 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.90 2yru h PRO 21 Cb 0.64 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.67 2yru h PRO 21 CO -0.92 0.41 0.75 -0.07 -0.23 0.00 0.00 178.00 177.93 2yru h LEU 22 N -0.87 0.34 -0.01 1.56 3.38 -1.31 0.62 115.31 119.02 2yru h LEU 22 Ca -0.01 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2yru h LEU 22 Cb 0.58 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2yru h LEU 22 CO 0.02 -0.09 -0.36 -0.33 0.09 0.00 0.00 178.44 177.77 2yru h GLU 23 N 0.21 0.26 -1.11 1.13 5.08 0.88 -2.96 114.58 118.08 2yru h GLU 23 Ca 0.73 -0.27 0.31 0.00 -1.00 0.00 0.00 59.36 59.13 2yru h GLU 23 Cb 2.10 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 31.32 2yru h GLU 23 CO -0.41 0.97 0.72 1.96 -1.00 0.00 0.00 179.01 181.25 2yru h GLN 24 N -0.34 0.28 0.02 2.33 1.08 0.10 0.28 115.11 118.88 2yru h GLN 24 Ca -0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2yru h GLN 24 Cb 1.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2yru h GLN 24 CO 0.07 0.19 -0.01 0.00 -0.95 0.00 0.00 178.83 178.13 2yru h ALA 25 N 1.60 -0.03 -0.03 3.87 0.00 -1.20 -2.31 119.26 121.16 2yru h ALA 25 Ca 0.64 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2yru h ALA 25 Cb 1.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2yru h ALA 25 CO -0.29 -0.24 -0.09 1.25 0.00 0.00 0.00 179.25 179.88 2yru h LEU 26 N -0.58 -0.29 -0.83 0.00 5.85 -0.33 0.69 115.31 119.82 2yru h LEU 26 Ca -0.00 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.94 2yru h LEU 26 Cb 0.55 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.54 2yru h LEU 26 CO 0.00 -0.07 -0.07 1.05 -0.34 0.00 0.00 178.44 179.01 2yru h GLU 27 N -0.09 0.05 -0.78 1.25 -0.00 -1.29 1.75 114.58 115.47 2yru h GLU 27 Ca 0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 59.36 59.44 2yru h GLU 27 Cb 0.11 -0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 28.80 2yru h GLU 27 CO -0.08 0.03 0.51 -0.44 -0.00 0.00 0.00 179.01 179.04 2yru h ASP 28 N 0.05 0.72 0.09 3.06 3.32 -0.63 0.23 116.42 123.26 2yru h ASP 28 Ca 0.44 0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.26 2yru h ASP 28 Cb 0.77 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2yru h ASP 28 CO -0.78 0.46 -0.95 0.00 -1.72 0.00 0.00 179.24 176.25 2yru h HIS 30 N 0.37 0.00 -0.21 0.00 -0.00 0.36 1.44 115.15 117.11 2yru h HIS 30 Ca -0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 2yru h HIS 30 Cb 1.59 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.96 2yru h HIS 30 CO 0.08 0.00 -0.08 0.41 -0.00 0.00 0.00 177.93 178.35 2yru n GLY 31 N -1.19 4.62 2.08 5.26 0.00 -0.26 -4.78 105.19 110.93 2yru n GLY 31 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.98 -2.79 -2.13 1.61 8.25 0.55 -5.02 115.22 114.72 2yru n HIS 32 Ca 0.24 0.61 -0.33 0.00 -0.26 0.00 0.00 57.72 57.98 2yru n HIS 32 Cb 0.87 1.67 0.01 0.00 1.12 0.00 0.00 29.99 33.66 2yru n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yru s THR 33 N -1.49 3.63 0.97 1.59 2.01 0.46 -4.96 115.64 117.84 2yru s THR 33 Ca 0.00 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.68 2yru s THR 33 Cb 0.00 -3.34 -0.14 0.00 0.01 0.00 0.00 72.50 69.03 2yru s THR 33 CO 0.00 -0.38 -0.72 0.29 -0.69 0.00 0.00 174.62 173.12 2yru n LYS 34 N -1.78 -0.01 -0.01 4.92 5.02 -1.26 -4.48 118.16 120.55 2yru n LYS 34 Ca 0.09 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 2yru n LYS 34 Cb 0.52 -1.03 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 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 -0.95 0.24 -0.92 1.97 1.63 -1.90 -2.54 116.57 114.09 2yru h LYS 35 Ca -0.44 -0.27 0.05 0.00 -0.85 0.00 0.00 60.65 59.15 2yru h LYS 35 Cb 1.31 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.96 2yru h LYS 35 CO 0.25 1.00 0.60 -0.56 -3.45 0.00 0.00 179.45 177.29 2yru h GLN 36 N -0.40 1.06 -0.07 1.90 3.07 -1.98 0.28 115.11 118.96 2yru h GLN 36 Ca -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2yru h GLN 36 Cb 1.14 -0.24 -0.00 0.00 0.08 0.00 0.00 27.48 28.46 2yru h GLN 36 CO 0.07 0.70 0.02 0.28 0.09 0.00 0.00 178.83 180.00 2yru h VAL 37 N 1.09 1.17 0.60 1.86 2.07 -1.90 -0.93 116.25 120.20 2yru h VAL 37 Ca 0.38 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2yru h VAL 37 Cb 0.13 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2yru h VAL 37 CO -0.14 0.15 -0.38 0.00 0.02 0.00 0.00 177.57 177.22 2yru h ASP 39 N -0.93 0.44 0.34 0.00 1.82 -0.42 1.30 116.42 118.97 2yru h ASP 39 Ca -0.07 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2yru h ASP 39 Cb 0.76 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2yru h ASP 39 CO 0.06 -0.07 -0.16 -0.78 -1.61 0.00 0.00 179.24 176.68 2yru h ASP 40 N 0.31 -0.39 0.47 2.28 3.58 0.03 -0.83 116.42 121.87 2yru h ASP 40 Ca 0.71 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.98 2yru h ASP 40 Cb 1.81 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.94 2yru h ASP 40 CO -0.46 0.02 -0.43 0.40 -2.88 0.00 0.00 179.24 175.89 2yru h ILE 41 N -0.88 0.14 -0.68 2.25 2.04 0.29 -2.38 117.51 118.29 2yru h ILE 41 Ca -0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.95 2yru h ILE 41 Cb 0.53 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.62 2yru h ILE 41 CO 0.08 0.00 -0.19 0.77 0.00 0.00 0.00 178.15 178.81 2yru h SER 42 N -0.90 -0.68 -1.23 1.72 4.64 0.14 0.75 113.55 117.99 2yru h SER 42 Ca -0.05 0.21 0.37 0.00 -0.47 0.00 0.00 61.79 61.86 2yru h SER 42 Cb 0.79 0.44 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 2yru h SER 42 CO -0.04 -0.23 0.80 0.03 -0.87 0.00 0.00 176.83 176.51 2yru h ARG 43 N -0.01 0.18 0.20 4.77 3.08 -0.62 0.26 114.38 122.23 2yru h ARG 43 Ca 0.32 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2yru h ARG 43 Cb 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2yru h ARG 43 CO -0.71 0.12 -0.10 0.00 -1.07 0.00 0.00 179.97 178.21 2yru h ARG 44 N 0.18 -0.26 -0.62 0.04 2.47 0.77 -3.22 114.38 113.73 2yru h ARG 44 Ca 0.73 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 59.59 2yru h ARG 44 Cb 2.21 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 30.47 2yru h ARG 44 CO -0.35 0.13 -0.27 -0.07 0.56 0.00 0.00 179.97 179.97 2yru h LEU 45 N -0.81 -0.96 -1.56 3.04 3.38 -0.06 1.25 115.31 119.60 2yru h LEU 45 Ca -0.03 0.22 0.40 0.00 0.09 0.00 0.00 57.88 58.57 2yru h LEU 45 Cb 0.51 0.52 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2yru h LEU 45 CO 0.05 -0.28 0.89 0.00 0.09 0.00 0.00 178.44 179.18 2yru h ALA 46 N 1.25 2.83 0.00 1.53 0.00 -1.15 0.28 119.26 124.01 2yru h ALA 46 Ca 0.27 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 46 Cb 0.53 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yru h ALA 46 CO -0.69 -1.36 -0.01 1.25 0.00 0.00 0.00 179.25 178.43 2yru h LEU 47 N 0.13 0.00 -0.82 0.00 6.46 0.14 -2.84 115.31 118.37 2yru h LEU 47 Ca 0.75 -0.50 0.08 0.00 -0.12 0.00 0.00 57.88 58.09 2yru h LEU 47 Cb 2.46 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 42.28 2yru h LEU 47 CO -0.28 0.76 -0.57 0.25 -0.62 0.00 0.00 178.44 177.98 2yru h LEU 48 N -1.00 -2.03 0.20 2.25 5.85 0.24 0.87 115.31 121.69 2yru h LEU 48 Ca -0.00 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2yru h LEU 48 Cb 0.51 0.88 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2yru h LEU 48 CO -0.00 -0.27 -0.44 -0.09 -0.34 0.00 0.00 178.44 177.30 2yru h ARG 49 N -0.10 -0.67 -0.90 1.25 2.43 -0.85 1.15 114.38 116.68 2yru h ARG 49 Ca 0.13 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.60 2yru h ARG 49 Cb 0.45 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 30.00 2yru h ARG 49 CO -0.82 -0.45 0.22 0.93 -1.51 0.00 0.00 179.97 178.34 2yru h GLU 50 N -0.70 0.17 -0.29 0.20 5.08 -0.94 1.43 114.58 119.53 2yru h GLU 50 Ca -0.02 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 2yru h GLU 50 Cb 0.66 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2yru h GLU 50 CO -0.18 0.11 -0.44 1.96 -1.00 0.00 0.00 179.01 179.45 2yru h GLN 51 N 0.17 0.75 0.67 2.33 4.20 0.17 1.38 115.11 124.78 2yru h GLN 51 Ca 0.57 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2yru h GLN 51 Cb 1.19 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.00 2yru h GLN 51 CO -0.70 1.04 -0.32 2.35 -0.67 0.00 0.00 178.83 180.53 2yru h TRP 52 N 0.60 -0.83 0.47 2.96 2.91 0.83 0.12 115.95 123.02 2yru h TRP 52 Ca 0.04 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 2yru h TRP 52 Cb 1.00 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2yru h TRP 52 CO 0.05 -0.52 -0.22 0.00 -1.03 0.00 0.00 178.44 176.72 2yru h ALA 53 N -1.33 -0.63 -1.52 2.65 0.00 0.15 -2.36 119.26 116.21 2yru h ALA 53 Ca -0.09 -0.16 0.47 0.00 0.00 0.00 0.00 54.91 55.13 2yru h ALA 53 Cb 0.68 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2yru h ALA 53 CO 0.15 -0.81 1.06 0.41 0.00 0.00 0.00 179.25 180.06 2yru n GLY 54 N -1.11 -0.82 0.38 0.00 0.00 0.47 -4.68 105.19 99.43 2yru n GLY 54 Ca -0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.66 0.89 0.10 -0.02 0.00 -0.89 -4.96 105.19 98.64 2yru n GLY 55 Ca 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.93 0.00 -6.92 1.61 1.79 -1.00 -3.46 116.57 109.53 2yru h LYS 56 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2yru h LYS 56 Cb 0.00 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.67 2yru h LYS 56 CO 0.00 0.58 0.44 -0.51 -1.08 0.00 0.00 179.45 178.88 2yru s LEU 57 N -6.29 4.25 0.66 2.94 1.43 -0.50 -5.00 118.68 116.17 2yru s LEU 57 Ca -0.00 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2yru s LEU 57 Cb 0.09 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 2yru s LEU 57 CO 0.80 -0.44 1.06 -0.55 0.23 0.00 0.00 176.35 177.45 2yru s SER 58 N -1.32 5.84 0.09 2.29 0.15 -1.26 -4.97 113.70 114.52 2yru s SER 58 Ca 0.54 1.27 -0.17 0.00 0.70 0.00 0.00 55.95 58.29 2yru s SER 58 Cb -0.26 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 61.77 2yru s SER 58 CO 0.33 -1.10 1.48 0.40 1.20 0.00 0.00 173.24 175.54 2yru h ILE 59 N -0.48 1.29 0.00 6.45 2.04 -1.98 -2.37 117.51 122.45 2yru h ILE 59 Ca -0.44 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2yru h ILE 59 Cb 1.22 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2yru h ILE 59 CO 0.63 0.36 0.00 -0.81 0.00 0.00 0.00 178.15 178.32 2yru n PRO 60 N -4.49 0.34 0.10 2.37 -0.04 -1.26 -2.10 135.00 129.92 2yru n PRO 60 Ca -0.03 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2yru n PRO 60 Cb 0.32 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2yru n PRO 60 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yru h VAL 61 N 0.00 0.00 0.03 0.52 2.07 -1.81 -3.23 116.25 113.83 2yru h VAL 61 Ca 0.00 -0.97 -0.33 0.00 0.82 0.00 0.00 66.70 66.21 2yru h VAL 61 Cb 0.20 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2yru h VAL 61 CO 0.00 0.00 -1.86 0.29 0.02 0.00 0.00 177.57 176.02 2yru n LYS 62 N -2.66 0.62 -0.05 1.57 5.02 -0.91 -3.10 118.16 118.66 2yru n LYS 62 Ca 0.00 0.39 0.18 0.00 -2.02 0.00 0.00 58.31 56.86 2yru n LYS 62 Cb 0.54 -1.66 0.62 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.65 0.15 0.02 1.97 1.57 -1.59 -0.28 116.57 117.76 2yru h LYS 63 Ca -0.48 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 2yru h LYS 63 Cb 1.61 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.89 2yru h LYS 63 CO -0.18 0.10 -0.39 0.00 -0.57 0.00 0.00 179.45 178.40 2yru h ARG 64 N 0.15 0.23 0.23 3.15 -0.00 -1.71 -3.32 114.38 113.11 2yru h ARG 64 Ca 0.28 -0.27 0.01 0.00 -0.50 0.00 0.00 59.98 59.50 2yru h ARG 64 Cb 0.91 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.92 2yru h ARG 64 CO -0.04 1.02 -0.45 0.52 0.00 0.00 0.00 179.97 181.02 2yru h MET 65 N -0.43 -0.73 -1.68 0.04 2.86 -1.08 0.20 114.93 114.11 2yru h MET 65 Ca -0.05 0.05 0.52 0.00 -2.06 0.00 0.00 59.70 58.16 2yru h MET 65 Cb 1.17 0.17 -0.10 0.00 0.06 0.00 0.00 31.60 32.89 2yru h MET 65 CO 0.08 -0.49 1.17 0.00 1.06 0.00 0.00 176.91 178.73 2yru n ALA 66 N -2.83 1.64 0.34 6.32 0.00 -0.27 0.97 120.51 126.68 2yru n ALA 66 Ca -0.09 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 53.95 2yru n ALA 66 Cb 0.40 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.81 0.00 3.38 -1.05 0.17 115.31 116.25 2yru h LEU 67 Ca 0.90 0.03 0.19 0.00 0.09 0.00 0.00 57.88 59.08 2yru h LEU 67 Cb 3.30 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 44.13 2yru h LEU 67 CO -0.20 -0.43 0.25 0.25 0.09 0.00 0.00 178.44 178.40 2yru h LEU 68 N -1.10 0.11 0.67 1.67 6.46 0.82 -0.87 115.31 123.05 2yru h LEU 68 Ca -0.09 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2yru h LEU 68 Cb 0.68 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2yru h LEU 68 CO 0.15 -0.04 -0.35 0.58 -0.62 0.00 0.00 178.44 178.15 2yru h VAL 69 N 0.30 0.00 -0.94 1.05 2.07 -0.95 -0.73 116.25 117.06 2yru h VAL 69 Ca 0.48 0.00 0.39 0.00 0.82 0.00 0.00 66.70 68.39 2yru h VAL 69 Cb 0.88 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.48 2yru h VAL 69 CO -0.54 0.00 0.50 0.00 0.02 0.00 0.00 177.57 177.54 2yru n GLN 70 N -4.64 -0.06 0.11 1.57 1.13 0.60 0.11 117.38 116.21 2yru n GLN 70 Ca -0.12 1.30 -0.13 0.00 -1.94 0.00 0.00 57.00 56.11 2yru n GLN 70 Cb 0.38 -2.32 -0.08 0.00 0.11 0.00 0.00 30.24 28.32 2yru n GLN 70 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2yru h GLU 71 N 0.00 -0.28 -0.85 -1.09 4.39 -0.67 -2.41 114.58 113.66 2yru h GLU 71 Ca 0.79 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.76 2yru h GLU 71 Cb 2.09 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.77 2yru h GLU 71 CO -0.72 0.04 0.64 1.25 -1.16 0.00 0.00 179.01 179.06 2yru h LEU 72 N -0.64 0.00 -0.11 1.33 6.46 0.23 0.48 115.31 123.07 2yru h LEU 72 Ca -0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 2yru h LEU 72 Cb 0.46 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2yru h LEU 72 CO 0.05 0.00 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.73 2yru h LEU 73 N 0.00 0.24 0.00 2.25 3.38 -0.58 -2.46 115.31 118.14 2yru h LEU 73 Ca 0.41 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2yru h LEU 73 Cb 1.68 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2yru h LEU 73 CO -0.00 0.63 0.00 1.41 0.09 0.00 0.00 178.44 180.56 2yru n HIS 74 N -4.69 0.00 -0.38 1.13 8.25 0.13 -4.82 115.22 114.84 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 0.29 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.11 0.00 -1.61 4.41 8.25 0.96 -4.94 115.22 121.18 2yru n HIS 75 Ca 0.17 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.37 2yru n HIS 75 Cb 0.13 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.00 0.84 0.07 -0.41 1.13 0.10 -4.59 117.38 112.52 2yru n GLN 76 Ca 0.00 -1.95 -0.07 0.00 -1.94 0.00 0.00 57.00 53.04 2yru n GLN 76 Cb 0.00 -3.60 0.07 0.00 0.11 0.00 0.00 30.24 26.83 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 10.30 0.42 -0.54 1.08 4.06 -1.91 -1.20 115.95 128.16 2yru h TRP 77 Ca 0.16 -0.17 0.01 0.00 2.06 0.00 0.00 58.89 60.95 2yru h TRP 77 Cb 0.91 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 2yru h TRP 77 CO 1.11 0.88 0.36 0.22 -3.56 0.00 0.00 178.44 177.45 2yru h ASP 78 N 0.23 0.60 0.00 -3.49 1.82 -1.97 -1.74 116.42 111.88 2yru h ASP 78 Ca -0.01 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2yru h ASP 78 Cb 1.20 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2yru h ASP 78 CO 0.11 0.43 -0.02 0.00 -1.61 0.00 0.00 179.24 178.14 2yru h ALA 79 N 1.67 0.00 -0.89 -0.78 0.00 -1.87 -2.67 119.26 114.72 2yru h ALA 79 Ca 0.20 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2yru h ALA 79 Cb -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.61 2yru h ALA 79 CO -0.05 -0.05 -0.38 0.00 0.00 0.00 0.00 179.25 178.77 2yru h ALA 80 N 0.14 0.10 0.36 0.00 0.00 -0.81 0.31 119.26 119.37 2yru h ALA 80 Ca -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2yru h ALA 80 Cb 0.88 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2yru h ALA 80 CO 0.00 -0.64 -0.20 0.22 0.00 0.00 0.00 179.25 178.63 2yru h ASP 81 N -0.04 -0.49 -0.54 0.00 1.82 -1.42 0.12 116.42 115.85 2yru h ASP 81 Ca 0.31 0.03 0.05 0.00 -0.39 0.00 0.00 57.03 57.03 2yru h ASP 81 Cb 0.58 0.14 -0.07 0.00 0.68 0.00 0.00 39.33 40.67 2yru h ASP 81 CO -0.91 -0.33 -0.34 -0.78 -1.61 0.00 0.00 179.24 175.27 2yru h ASP 82 N -0.53 -1.23 -0.01 2.28 3.58 -0.17 0.64 116.42 120.97 2yru h ASP 82 Ca -0.04 0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.63 2yru h ASP 82 Cb 0.43 0.54 -0.05 0.00 1.72 0.00 0.00 39.33 41.97 2yru h ASP 82 CO 0.06 -0.14 -0.32 0.40 -2.88 0.00 0.00 179.24 176.36 2yru h ILE 83 N -0.02 0.31 -0.91 2.25 2.04 -0.61 -1.85 117.51 118.72 2yru h ILE 83 Ca 0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.07 2yru h ILE 83 Cb 0.25 0.31 -0.14 0.00 -0.74 0.00 0.00 36.82 36.50 2yru h ILE 83 CO -0.52 0.00 -0.46 -0.74 0.00 0.00 0.00 178.15 176.43 2yru h HIS 84 N -0.46 -1.39 -0.17 1.37 -0.00 0.15 0.16 115.15 114.82 2yru h HIS 84 Ca 0.06 0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2yru h HIS 84 Cb 0.55 0.73 -0.07 0.00 -0.00 0.00 0.00 27.41 28.63 2yru h HIS 84 CO -0.34 -0.40 -0.51 0.00 -0.00 0.00 0.00 177.93 176.68 2yru h ARG 85 N -0.05 -0.51 -1.10 5.26 2.47 0.91 0.39 114.38 121.75 2yru h ARG 85 Ca 0.25 0.03 0.30 0.00 -1.26 0.00 0.00 59.98 59.31 2yru h ARG 85 Cb 0.53 0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 28.87 2yru h ARG 85 CO -0.91 -0.34 0.71 0.77 0.56 0.00 0.00 179.97 180.76 2yru h SER 86 N -0.53 0.38 0.40 7.04 0.02 -0.04 1.66 113.55 122.48 2yru h SER 86 Ca 0.05 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2yru h SER 86 Cb 0.66 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2yru h SER 86 CO -0.45 0.03 -0.65 -0.07 -1.14 0.00 0.00 176.83 174.55 2yru h LEU 87 N 0.31 0.27 -0.01 5.07 3.38 0.20 -2.63 115.31 121.90 2yru h LEU 87 Ca 0.63 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2yru h LEU 87 Cb 1.74 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2yru h LEU 87 CO -0.30 0.85 -0.04 0.80 0.09 0.00 0.00 178.44 179.84 2yru n MET 88 N -3.83 0.15 0.05 1.13 1.56 0.53 -0.45 117.12 116.26 2yru n MET 88 Ca -0.03 -0.01 -0.07 0.00 -0.27 0.00 0.00 57.70 57.32 2yru n MET 88 Cb 0.65 -1.50 -0.04 0.00 2.15 0.00 0.00 33.22 34.48 2yru n MET 88 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2yru h VAL 89 N 0.03 0.39 0.00 1.12 2.07 0.00 -3.27 116.25 116.59 2yru h VAL 89 Ca 0.00 -1.03 -0.18 0.00 0.82 0.00 0.00 66.70 66.30 2yru h VAL 89 Cb 0.44 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2yru h VAL 89 CO 0.00 0.11 -1.12 -0.67 0.02 0.00 0.00 177.57 175.92 2yru n ASP 90 N -4.91 1.85 -4.13 0.57 2.03 -1.21 -4.54 116.55 106.20 2yru n ASP 90 Ca -0.05 0.47 -0.44 0.00 0.52 0.00 0.00 54.79 55.29 2yru n ASP 90 Cb 0.18 -0.94 0.01 0.00 -0.72 0.00 0.00 41.12 39.65 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2yru n HIS 91 N -4.47 3.48 -0.07 -0.67 -0.00 0.41 -4.75 115.22 109.15 2yru n HIS 91 Ca -0.27 -3.10 -0.10 0.00 -0.00 0.00 0.00 57.72 54.25 2yru n HIS 91 Cb 0.58 -1.49 -0.08 0.00 -0.00 0.00 0.00 29.99 29.01 2yru n HIS 91 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2yru h VAL 92 N 3.56 0.97 0.38 1.59 3.04 -1.61 -3.20 116.25 120.98 2yru h VAL 92 Ca 0.21 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 2yru h VAL 92 Cb 0.72 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2yru h VAL 92 CO 1.23 0.33 -0.18 0.74 -1.01 0.00 0.00 177.57 178.68 2yru h THR 93 N -1.00 0.63 -0.88 3.17 2.02 -1.88 0.51 112.91 115.48 2yru h THR 93 Ca -0.05 -0.32 0.17 0.00 0.77 0.00 0.00 66.41 66.98 2yru h THR 93 Cb 0.69 0.79 -0.17 0.00 -1.74 0.00 0.00 68.15 67.72 2yru h THR 93 CO -0.03 0.06 -0.23 -0.33 0.37 0.00 0.00 175.52 175.36 2yru h GLU 94 N -0.69 -0.00 -0.04 6.66 4.39 -1.93 1.09 114.58 124.06 2yru h GLU 94 Ca -0.05 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 2yru h GLU 94 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2yru h GLU 94 CO 0.09 -0.00 -0.72 -0.39 -1.16 0.00 0.00 179.01 176.82 2yru h VAL 95 N -0.00 1.44 -3.83 3.13 -1.51 -1.52 -3.45 116.25 110.50 2yru h VAL 95 Ca 0.42 -2.27 -0.52 0.00 -1.23 0.00 0.00 66.70 63.10 2yru h VAL 95 Cb 0.64 2.21 0.21 0.00 -2.13 0.00 0.00 31.29 32.22 2yru h VAL 95 CO -0.90 0.66 -0.13 -1.54 -1.23 0.00 0.00 177.57 174.43 2yru n SER 96 N -3.77 -0.77 0.00 4.19 3.41 0.37 0.11 113.62 117.17 2yru n SER 96 Ca -0.03 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2yru n SER 96 Cb 0.70 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 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 -3.26 0.00 0.00 4.33 7.27 -1.26 -4.43 117.38 120.03 2yru n GLN 97 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2yru n GLN 97 Cb 0.53 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.38 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 -2.02 -0.80 -0.53 3.69 4.27 -1.17 -4.83 117.44 116.05 2yru n TRP 98 Ca 0.00 0.00 0.42 0.00 -3.89 0.00 0.00 57.50 54.03 2yru n TRP 98 Cb 0.00 0.16 0.66 0.00 -1.36 0.00 0.00 31.31 30.77 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 -1.73 -0.01 0.00 -2.67 1.56 0.31 0.19 117.12 114.77 2yru n MET 99 Ca 0.00 0.98 -0.09 0.00 -0.27 0.00 0.00 57.70 58.32 2yru n MET 99 Cb 0.00 -2.13 -0.03 0.00 2.15 0.00 0.00 33.22 33.21 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 0.63 0.22 1.12 -1.51 -1.91 -1.06 116.25 113.73 2yru h VAL 100 Ca 0.79 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 66.27 2yru h VAL 100 Cb 2.94 0.63 -0.04 0.00 -2.13 0.00 0.00 31.29 32.69 2yru h VAL 100 CO -0.16 0.00 -0.44 1.23 -1.23 0.00 0.00 177.57 176.98 2yru h GLY 101 N -0.17 -0.94 -0.55 5.19 0.00 0.18 -2.03 103.07 104.76 2yru h GLY 101 Ca 0.09 0.52 0.10 0.00 0.00 0.00 0.00 47.33 48.04 2yru h GLY 101 CO -0.22 -0.29 -0.41 -2.08 0.00 0.00 0.00 176.54 173.54 2yru h VAL 102 N -0.73 0.09 -0.83 4.60 2.07 -1.43 0.63 116.25 120.65 2yru h VAL 102 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 2yru h VAL 102 Cb 0.72 0.09 -0.15 0.00 -1.52 0.00 0.00 31.29 30.43 2yru h VAL 102 CO -0.19 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 177.84 2yru h LYS 103 N -0.18 0.05 0.44 1.57 3.64 -0.72 0.35 116.57 121.72 2yru h LYS 103 Ca 0.21 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2yru h LYS 103 Cb 0.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2yru h LYS 103 CO -0.73 0.03 -0.21 -0.09 -2.27 0.00 0.00 179.45 176.18 2yru h ARG 104 N 0.05 -0.56 -0.72 1.90 9.65 0.68 -2.70 114.38 122.68 2yru h ARG 104 Ca 0.45 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.47 2yru h ARG 104 Cb 0.79 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 29.38 2yru h ARG 104 CO -0.78 -0.27 -0.46 1.25 2.80 0.00 0.00 179.97 182.51 2yru h LEU 105 N -0.84 -1.62 -0.48 3.80 5.85 0.20 0.95 115.31 123.17 2yru h LEU 105 Ca -0.06 0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2yru h LEU 105 Cb 0.56 0.75 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 2yru h LEU 105 CO 0.10 -0.31 -0.52 0.40 -0.34 0.00 0.00 178.44 177.77 2yru h ILE 106 N -0.15 0.00 -0.34 4.05 2.04 -0.39 1.54 117.51 124.25 2yru h ILE 106 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 2yru h ILE 106 Cb 0.54 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2yru h ILE 106 CO -0.79 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 177.29 2yru h ALA 107 N -0.06 0.23 0.27 1.87 0.00 -0.60 0.67 119.26 121.65 2yru h ALA 107 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2yru h ALA 107 Cb 0.51 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2yru h ALA 107 CO -0.61 -0.45 -0.47 0.93 0.00 0.00 0.00 179.25 178.65 2yru h GLU 108 N 0.01 -0.78 -0.59 0.00 4.39 0.32 0.25 114.58 118.19 2yru h GLU 108 Ca 0.16 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.04 2yru h GLU 108 Cb 0.25 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 2yru h GLU 108 CO -0.35 -0.52 -0.20 0.87 -1.16 0.00 0.00 179.01 177.66 2yru h LYS 109 N -0.81 -0.05 -0.93 2.33 1.79 0.26 0.66 116.57 119.83 2yru h LYS 109 Ca -0.02 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.61 2yru h LYS 109 Cb 0.76 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.33 2yru h LYS 109 CO -0.18 -0.03 0.53 -0.22 -1.08 0.00 0.00 179.45 178.47 2yru h LYS 110 N -0.05 0.70 0.17 3.15 3.64 -0.20 -0.64 116.57 123.34 2yru h LYS 110 Ca 0.28 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2yru h LYS 110 Cb 0.48 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2yru h LYS 110 CO -0.64 0.47 -0.11 1.03 -2.27 0.00 0.00 179.45 177.92 2yru h SER 111 N 0.73 -0.29 -0.85 4.20 0.87 0.23 0.11 113.55 118.55 2yru h SER 111 Ca 0.51 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.23 2yru h SER 111 Cb 0.72 0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 62.62 2yru h SER 111 CO -0.36 -0.18 -0.36 -0.07 -0.53 0.00 0.00 176.83 175.33 2yru h LEU 112 N -0.28 -1.31 0.18 2.23 3.38 0.48 0.14 115.31 120.14 2yru h LEU 112 Ca -0.01 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2yru h LEU 112 Cb 0.24 0.68 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2yru h LEU 112 CO 0.01 -0.29 -0.09 0.28 0.09 0.00 0.00 178.44 178.44 2yru h SER 113 N -0.06 -0.21 -4.19 -0.43 0.02 -1.13 -3.49 113.55 104.07 2yru h SER 113 Ca 0.31 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2yru h SER 113 Cb 0.59 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2yru h SER 113 CO -0.88 -0.04 -0.27 0.61 -1.14 0.00 0.00 176.83 175.11 2yru n GLY 114 N -0.87 -1.11 3.15 -3.77 0.00 0.50 -4.85 105.19 98.24 2yru n GLY 114 Ca -0.09 0.60 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.37 2.24 -2.34 1.61 -0.04 -1.26 -4.91 135.00 129.93 2yru n PRO 115 Ca 0.06 -2.44 -0.43 0.00 -0.04 0.00 0.00 63.50 60.65 2yru n PRO 115 Cb 0.23 -3.27 -0.02 0.00 -0.04 0.00 0.00 33.50 30.40 2yru n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yru s SER 116 N 4.55 6.44 -0.35 3.54 0.01 -1.26 -4.98 113.70 121.65 2yru s SER 116 Ca 0.55 1.04 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 2yru s SER 116 Cb 0.10 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2yru s SER 116 CO 0.05 -1.31 0.12 -0.55 0.41 0.00 0.00 173.24 171.96 2yru s SER 117 N 3.64 5.28 0.00 2.44 0.15 -1.26 -5.31 113.70 118.64 2yru s SER 117 Ca 0.61 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2yru s SER 117 Cb -0.16 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2yru s SER 117 CO 0.29 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.97