#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 4.22 0.50 1.61 0.15 -1.26 -5.02 113.70 113.91 2yru s SER 2 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2yru s SER 2 Cb 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2yru s SER 2 CO 0.00 0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.26 2yru n SER 3 N 4.52 -8.82 0.00 5.45 7.64 -1.26 -5.08 113.62 116.07 2yru n SER 3 Ca -0.18 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2yru n SER 3 Cb 0.51 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 2yru n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yru n GLY 4 N -4.35 1.97 3.50 0.23 0.00 -1.26 -5.11 105.19 100.17 2yru n GLY 4 Ca -0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2yru n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yru s SER 5 N 2.00 6.32 0.40 1.61 1.04 -1.26 -4.91 113.70 118.90 2yru s SER 5 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2yru s SER 5 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2yru s SER 5 CO 0.00 -1.00 0.00 -1.20 0.98 0.00 0.00 173.24 172.02 2yru n SER 6 N 6.77 -7.18 0.00 7.02 7.64 -1.26 -4.59 113.62 122.01 2yru n SER 6 Ca -0.01 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2yru n SER 6 Cb 0.47 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 2yru n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yru n GLY 7 N -3.89 -1.34 2.26 0.23 0.00 -1.26 -4.67 105.19 96.52 2yru n GLY 7 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.38 -4.58 1.61 0.31 -1.26 -4.97 118.33 109.06 2yru n VAL 8 Ca 0.00 -3.92 -0.33 0.00 -0.01 0.00 0.00 64.34 60.07 2yru n VAL 8 Cb 0.00 -0.77 -0.13 0.00 -0.91 0.00 0.00 33.84 32.03 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 -1.49 3.57 -0.23 2.52 1.01 -1.26 -5.09 121.20 120.22 2yru s ILE 9 Ca 0.36 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2yru s ILE 9 Cb 0.26 -2.52 0.06 0.00 0.01 0.00 0.00 42.46 40.27 2yru s ILE 9 CO -0.10 0.52 -0.02 -1.61 0.00 0.00 0.00 174.94 173.73 2yru s GLU 10 N 0.13 1.34 0.21 2.79 2.02 -1.26 -4.87 118.70 119.06 2yru s GLU 10 Ca -0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2yru s GLU 10 Cb -0.14 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.63 2yru s GLU 10 CO 0.04 -0.64 0.00 0.45 0.02 0.00 0.00 175.26 175.13 2yru n SER 11 N 4.76 -1.90 -4.79 -0.19 2.88 -1.26 -5.14 113.62 107.98 2yru n SER 11 Ca -0.10 0.46 -0.30 0.00 -1.33 0.00 0.00 58.87 57.60 2yru n SER 11 Cb 0.45 1.99 0.09 0.00 -0.75 0.00 0.00 64.21 65.99 2yru n SER 11 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2yru s GLU 12 N -2.00 2.04 0.00 -1.46 0.41 -1.26 -5.00 118.70 111.43 2yru s GLU 12 Ca 0.00 0.75 -0.00 0.00 -0.41 0.00 0.00 54.97 55.31 2yru s GLU 12 Cb 0.00 -1.90 -0.00 0.00 -1.78 0.00 0.00 34.13 30.44 2yru s GLU 12 CO 0.00 -1.68 0.00 0.99 -0.49 0.00 0.00 175.26 174.09 2yru s THR 13 N -3.08 0.01 -0.04 3.63 2.01 -1.26 -5.13 115.64 111.78 2yru s THR 13 Ca 0.61 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 2yru s THR 13 Cb -0.15 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2yru s THR 13 CO 0.55 -0.06 0.08 -0.76 -0.69 0.00 0.00 174.62 173.74 2yru s LEU 14 N -0.17 3.94 0.15 4.42 1.43 -1.26 -5.01 118.68 122.18 2yru s LEU 14 Ca -0.02 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 2yru s LEU 14 Cb -0.01 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2yru s LEU 14 CO -0.00 0.32 1.68 -0.29 0.23 0.00 0.00 176.35 178.28 2yru h ILE 15 N 3.51 0.65 0.00 -0.59 2.10 -1.98 0.32 117.51 121.52 2yru h ILE 15 Ca -0.50 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 2yru h ILE 15 Cb 1.19 0.65 -0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2yru h ILE 15 CO 0.60 0.00 -0.04 -0.33 -1.08 0.00 0.00 178.15 177.30 2yru h GLU 16 N -0.02 0.00 0.00 2.19 5.08 -1.96 0.82 114.58 120.68 2yru h GLU 16 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2yru h GLU 16 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2yru h GLU 16 CO -0.34 0.04 -0.48 -0.44 -1.00 0.00 0.00 179.01 176.80 2yru h ASP 17 N 0.00 0.00 0.50 1.42 5.19 -0.86 1.27 116.42 123.95 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 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2yru h ASP 17 CO 0.01 0.48 -1.48 0.52 -3.12 0.00 0.00 179.24 175.65 2yru n VAL 18 N -3.49 0.31 -0.04 -1.35 0.31 0.33 -4.14 118.33 110.26 2yru n VAL 18 Ca 0.00 -0.51 -0.13 0.00 -0.01 0.00 0.00 64.34 63.69 2yru n VAL 18 Cb 0.60 -0.16 -0.14 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.45 1.32 -0.23 7.52 7.99 0.26 -3.29 117.00 128.11 2yru n LEU 19 Ca -0.02 0.26 -0.01 0.00 -0.01 0.00 0.00 56.01 56.23 2yru n LEU 19 Cb 0.55 -0.17 0.05 0.00 -0.11 0.00 0.00 43.42 43.75 2yru n LEU 19 CO 0.43 0.56 0.69 0.03 -1.51 0.00 0.00 177.39 177.59 2yru h ARG 20 N 0.02 -0.06 0.10 3.23 -0.00 0.15 0.91 114.38 118.73 2yru h ARG 20 Ca -0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2yru h ARG 20 Cb 2.05 0.01 0.00 0.00 0.00 0.00 0.00 29.97 32.03 2yru h ARG 20 CO 0.06 -0.04 -0.05 -1.00 0.00 0.00 0.00 179.97 178.94 2yru h PRO 21 N -0.06 -0.13 -1.10 0.04 0.13 -1.75 -1.73 132.00 127.41 2yru h PRO 21 Ca 0.30 0.01 0.33 0.00 -0.87 0.00 0.00 66.00 65.77 2yru h PRO 21 Cb 0.53 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.56 2yru h PRO 21 CO -0.72 0.37 0.67 -0.07 -0.23 0.00 0.00 178.00 178.02 2yru h LEU 22 N -0.89 0.43 -0.06 1.56 3.38 -1.45 0.65 115.31 118.94 2yru h LEU 22 Ca -0.01 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2yru h LEU 22 Cb 0.56 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2yru h LEU 22 CO 0.02 -0.07 -0.49 -0.33 0.09 0.00 0.00 178.44 177.66 2yru h GLU 23 N 0.29 0.44 -0.91 1.13 5.08 0.82 -2.97 114.58 118.46 2yru h GLU 23 Ca 0.71 -0.39 0.18 0.00 -1.00 0.00 0.00 59.36 58.86 2yru h GLU 23 Cb 1.84 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 31.08 2yru h GLU 23 CO -0.46 1.04 0.49 1.96 -1.00 0.00 0.00 179.01 181.03 2yru h GLN 24 N -0.03 0.59 -0.09 2.33 1.08 0.12 0.60 115.11 119.71 2yru h GLN 24 Ca -0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2yru h GLN 24 Cb 1.16 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2yru h GLN 24 CO 0.10 0.39 0.04 0.00 -0.95 0.00 0.00 178.83 178.41 2yru h ALA 25 N 1.63 0.12 -0.54 3.87 0.00 -1.04 -2.86 119.26 120.43 2yru h ALA 25 Ca 0.53 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.45 2yru h ALA 25 Cb 0.85 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2yru h ALA 25 CO -0.41 -0.30 -0.21 1.25 0.00 0.00 0.00 179.25 179.58 2yru h LEU 26 N -0.01 -0.73 -0.86 0.00 5.85 -0.77 0.22 115.31 119.01 2yru h LEU 26 Ca 0.03 0.18 0.21 0.00 0.84 0.00 0.00 57.88 59.15 2yru h LEU 26 Cb 0.17 0.42 -0.15 0.00 0.37 0.00 0.00 40.66 41.46 2yru h LEU 26 CO -0.00 -0.24 0.02 -0.33 -0.34 0.00 0.00 178.44 177.55 2yru h GLU 27 N -0.08 0.07 0.20 1.25 5.08 -1.00 1.53 114.58 121.65 2yru h GLU 27 Ca 0.25 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2yru h GLU 27 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2yru h GLU 27 CO -0.60 0.05 -0.10 -0.44 -1.00 0.00 0.00 179.01 176.93 2yru h ASP 28 N 0.08 -0.23 -0.88 1.42 3.32 -0.57 -0.99 116.42 118.57 2yru h ASP 28 Ca 0.49 -0.17 0.15 0.00 0.02 0.00 0.00 57.03 57.53 2yru h ASP 28 Cb 0.93 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 2yru h ASP 28 CO -0.77 0.04 0.57 0.00 -1.72 0.00 0.00 179.24 177.36 2yru h HIS 30 N 0.63 0.00 -0.09 0.00 -0.00 0.24 -0.59 115.15 115.35 2yru h HIS 30 Ca 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2yru h HIS 30 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 2yru h HIS 30 CO -0.00 0.21 -0.27 0.41 -0.00 0.00 0.00 177.93 178.29 2yru n GLY 31 N -0.25 4.97 0.33 5.26 0.00 0.36 -4.86 105.19 111.01 2yru n GLY 31 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.16 -0.27 -1.06 1.61 8.25 0.39 -4.96 115.22 118.03 2yru n HIS 32 Ca 0.21 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.34 2yru n HIS 32 Cb 0.76 0.08 0.13 0.00 1.12 0.00 0.00 29.99 32.08 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 -1.25 1.78 -1.54 1.59 -1.04 -0.26 -4.89 114.28 108.67 2yru n THR 33 Ca 0.00 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 2yru n THR 33 Cb 0.00 -1.15 0.03 0.00 -1.82 0.00 0.00 70.33 67.38 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 -3.26 0.87 -0.09 -2.82 5.02 -1.26 -4.56 118.16 112.05 2yru n LYS 34 Ca 0.13 0.32 -0.09 0.00 -2.02 0.00 0.00 58.31 56.65 2yru n LYS 34 Cb 0.51 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.82 0.40 -0.51 1.97 1.63 -1.90 -1.19 116.57 117.79 2yru h LYS 35 Ca -0.45 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.40 2yru h LYS 35 Cb 1.37 -0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 32.82 2yru h LYS 35 CO 0.52 0.32 -0.38 1.96 -3.45 0.00 0.00 179.45 178.42 2yru h GLN 36 N 0.37 -0.22 -0.94 1.90 1.08 -1.98 1.10 115.11 116.42 2yru h GLN 36 Ca 0.11 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.35 2yru h GLN 36 Cb 0.02 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 2yru h GLN 36 CO -0.02 -0.15 0.62 0.28 -0.95 0.00 0.00 178.83 178.61 2yru h VAL 37 N -0.23 1.18 0.80 -0.54 2.07 -1.86 -0.48 116.25 117.19 2yru h VAL 37 Ca 0.19 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2yru h VAL 37 Cb 0.56 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2yru h VAL 37 CO -0.63 0.22 -0.43 0.00 0.02 0.00 0.00 177.57 176.75 2yru h ASP 39 N -1.14 0.00 0.00 0.00 3.58 0.14 0.17 116.42 119.18 2yru h ASP 39 Ca -0.11 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2yru h ASP 39 Cb 0.89 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 2yru h ASP 39 CO 0.15 0.00 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.67 2yru h ASP 40 N 0.00 0.00 -0.24 2.28 1.82 0.49 -2.93 116.42 117.85 2yru h ASP 40 Ca 0.24 -0.10 0.03 0.00 -0.39 0.00 0.00 57.03 56.82 2yru h ASP 40 Cb 1.34 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.29 2yru h ASP 40 CO -0.00 0.58 -0.44 0.40 -1.61 0.00 0.00 179.24 178.17 2yru h ILE 41 N -1.00 0.00 -0.65 2.25 2.04 0.28 -0.59 117.51 119.84 2yru h ILE 41 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2yru h ILE 41 Cb 0.15 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.11 2yru h ILE 41 CO -0.00 0.00 -0.27 0.77 0.00 0.00 0.00 178.15 178.65 2yru h SER 42 N -0.37 -0.96 -1.22 1.72 4.64 -0.91 0.74 113.55 117.19 2yru h SER 42 Ca 0.04 0.22 0.39 0.00 -0.47 0.00 0.00 61.79 61.98 2yru h SER 42 Cb 0.50 0.53 -0.13 0.00 -0.31 0.00 0.00 62.40 62.99 2yru h SER 42 CO -0.42 -0.28 0.77 0.03 -0.87 0.00 0.00 176.83 176.06 2yru h ARG 43 N -0.09 0.16 -0.02 4.77 3.08 -0.93 0.60 114.38 121.94 2yru h ARG 43 Ca 0.28 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2yru h ARG 43 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2yru h ARG 43 CO -0.71 0.10 -0.05 0.00 -1.07 0.00 0.00 179.97 178.24 2yru h ARG 44 N 0.16 0.07 -0.43 0.04 2.47 0.12 -3.25 114.38 113.57 2yru h ARG 44 Ca 0.77 -0.05 0.09 0.00 -1.26 0.00 0.00 59.98 59.53 2yru h ARG 44 Cb 2.26 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 30.50 2yru h ARG 44 CO -0.43 0.64 -0.27 -0.07 0.56 0.00 0.00 179.97 180.39 2yru h LEU 45 N -0.48 -0.92 -1.27 3.04 3.38 0.91 0.67 115.31 120.64 2yru h LEU 45 Ca -0.00 0.18 0.40 0.00 0.09 0.00 0.00 57.88 58.55 2yru h LEU 45 Cb 0.64 0.46 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 2yru h LEU 45 CO 0.01 -0.29 0.74 0.00 0.09 0.00 0.00 178.44 178.99 2yru h ALA 46 N 0.96 2.46 0.03 1.53 0.00 -1.15 0.58 119.26 123.68 2yru h ALA 46 Ca 0.19 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2yru h ALA 46 Cb 0.50 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2yru h ALA 46 CO -0.54 -1.09 -0.02 1.25 0.00 0.00 0.00 179.25 178.86 2yru h LEU 47 N 0.15 -0.04 -0.86 0.00 6.46 0.07 -2.37 115.31 118.73 2yru h LEU 47 Ca 0.79 -0.35 0.14 0.00 -0.12 0.00 0.00 57.88 58.34 2yru h LEU 47 Cb 2.26 0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 42.05 2yru h LEU 47 CO -0.49 0.62 -0.34 0.25 -0.62 0.00 0.00 178.44 177.86 2yru h LEU 48 N -0.99 -1.25 0.77 2.25 5.85 0.26 0.95 115.31 123.14 2yru h LEU 48 Ca -0.00 0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2yru h LEU 48 Cb 0.38 0.67 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2yru h LEU 48 CO 0.01 -0.29 -0.41 -0.09 -0.34 0.00 0.00 178.44 177.32 2yru h ARG 49 N -0.05 -1.04 -0.50 1.25 2.43 -0.12 0.23 114.38 116.58 2yru h ARG 49 Ca 0.33 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 2yru h ARG 49 Cb 0.59 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 30.28 2yru h ARG 49 CO -0.89 -0.69 -0.31 0.93 -1.51 0.00 0.00 179.97 177.50 2yru h GLU 50 N -1.08 -0.18 -0.74 0.20 5.08 -0.43 0.68 114.58 118.11 2yru h GLU 50 Ca -0.10 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2yru h GLU 50 Cb 0.84 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2yru h GLU 50 CO 0.15 -0.12 0.49 1.96 -1.00 0.00 0.00 179.01 180.48 2yru h GLN 51 N -0.19 0.86 0.67 2.33 4.20 0.97 1.49 115.11 125.44 2yru h GLN 51 Ca 0.21 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2yru h GLN 51 Cb 0.54 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.13 2yru h GLN 51 CO -0.61 0.57 -0.32 2.35 -0.67 0.00 0.00 178.83 180.15 2yru h TRP 52 N 0.89 -0.83 0.75 2.96 2.91 0.31 0.53 115.95 123.47 2yru h TRP 52 Ca 0.30 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.27 2yru h TRP 52 Cb 0.08 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 2yru h TRP 52 CO -0.00 -0.52 -0.50 0.00 -1.03 0.00 0.00 178.44 176.40 2yru h ALA 53 N -1.44 -1.25 -1.47 2.65 0.00 0.44 -1.65 119.26 116.54 2yru h ALA 53 Ca -0.09 -0.24 0.45 0.00 0.00 0.00 0.00 54.91 55.03 2yru h ALA 53 Cb 0.69 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2yru h ALA 53 CO 0.15 -1.22 1.03 0.41 0.00 0.00 0.00 179.25 179.62 2yru n GLY 54 N -1.62 -0.78 1.12 0.00 0.00 0.51 -4.69 105.19 99.73 2yru n GLY 54 Ca -0.14 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.65 1.06 0.09 -0.02 0.00 -0.62 -4.97 105.19 99.08 2yru n GLY 55 Ca 0.36 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -7.31 1.61 1.79 -1.10 -3.47 116.57 108.09 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 0.53 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.28 2yru h LYS 56 CO 0.00 0.46 0.35 -0.51 -1.08 0.00 0.00 179.45 178.67 2yru s LEU 57 N -6.07 3.14 0.28 2.94 1.43 -1.12 -5.04 118.68 114.24 2yru s LEU 57 Ca -0.02 1.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 2yru s LEU 57 Cb 0.08 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 2yru s LEU 57 CO 0.81 -1.63 0.55 -0.44 0.23 0.00 0.00 176.35 175.88 2yru s SER 58 N -3.54 6.48 0.19 2.29 0.01 -1.26 -4.97 113.70 112.90 2yru s SER 58 Ca 0.60 0.76 -0.11 0.00 1.31 0.00 0.00 55.95 58.51 2yru s SER 58 Cb -0.15 -2.16 0.18 0.00 0.21 0.00 0.00 66.02 64.09 2yru s SER 58 CO 0.54 -0.17 1.79 0.40 0.41 0.00 0.00 173.24 176.21 2yru h ILE 59 N 1.50 0.96 0.00 1.44 2.04 -1.98 0.26 117.51 121.72 2yru h ILE 59 Ca -0.47 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2yru h ILE 59 Cb 1.18 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2yru h ILE 59 CO 0.67 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 178.11 2yru n PRO 60 N -4.85 0.47 -0.03 2.37 -0.04 -1.26 -2.15 135.00 129.51 2yru n PRO 60 Ca 0.06 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2yru n PRO 60 Cb 0.15 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.19 1.59 0.13 0.52 0.31 0.80 -3.01 118.33 117.48 2yru n VAL 61 Ca 0.13 -0.80 -0.24 0.00 -0.01 0.00 0.00 64.34 63.42 2yru n VAL 61 Cb 0.15 -1.00 -0.16 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.50 -0.72 5.55 1.57 -0.90 -2.52 116.57 120.04 2yru h LYS 62 Ca -0.32 -0.85 -0.06 0.00 -1.87 0.00 0.00 60.65 57.55 2yru h LYS 62 Cb 2.04 0.32 -0.03 0.00 0.08 0.00 0.00 32.23 34.64 2yru h LYS 62 CO 0.07 1.40 0.20 0.87 -0.57 0.00 0.00 179.45 181.42 2yru h LYS 63 N 0.14 1.14 -0.02 3.15 6.56 -1.59 -1.28 116.57 124.66 2yru h LYS 63 Ca -0.28 -0.26 -0.11 0.00 -1.06 0.00 0.00 60.65 58.94 2yru h LYS 63 Cb 2.15 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 33.64 2yru h LYS 63 CO 0.25 0.98 -0.50 0.00 -2.06 0.00 0.00 179.45 178.13 2yru h ARG 64 N 1.08 0.05 0.56 3.15 3.08 -1.61 -3.15 114.38 117.54 2yru h ARG 64 Ca 0.23 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 2yru h ARG 64 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.40 2yru h ARG 64 CO -0.00 0.53 -0.27 0.52 -1.07 0.00 0.00 179.97 179.68 2yru h MET 65 N 0.04 -0.72 -0.99 0.04 2.86 -0.92 -3.07 114.93 112.17 2yru h MET 65 Ca -0.00 0.05 0.39 0.00 -2.06 0.00 0.00 59.70 58.07 2yru h MET 65 Cb 0.89 0.16 -0.18 0.00 0.06 0.00 0.00 31.60 32.54 2yru h MET 65 CO 0.07 -0.48 0.44 0.00 1.06 0.00 0.00 176.91 177.99 2yru n ALA 66 N -2.61 0.92 0.08 6.32 0.00 -0.55 0.07 120.51 124.75 2yru n ALA 66 Ca -0.09 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.29 2yru n ALA 66 Cb 0.30 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.69 -0.78 0.00 3.38 -1.49 1.42 115.31 117.14 2yru h LEU 67 Ca 0.79 0.07 0.18 0.00 0.09 0.00 0.00 57.88 59.01 2yru h LEU 67 Cb 2.03 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 42.91 2yru h LEU 67 CO -0.79 -0.27 0.18 0.25 0.09 0.00 0.00 178.44 177.90 2yru h LEU 68 N -0.38 -0.01 0.65 1.67 6.46 -0.28 -0.63 115.31 122.79 2yru h LEU 68 Ca -0.01 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2yru h LEU 68 Cb 0.36 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2yru h LEU 68 CO -0.10 -0.08 -0.38 0.58 -0.62 0.00 0.00 178.44 177.85 2yru h VAL 69 N 0.25 0.00 -0.96 1.05 2.07 -0.21 -0.27 116.25 118.18 2yru h VAL 69 Ca 0.45 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.33 2yru h VAL 69 Cb 0.81 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.41 2yru h VAL 69 CO -0.56 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.40 2yru n GLN 70 N -4.79 -0.06 0.19 1.57 1.13 0.48 0.67 117.38 116.56 2yru n GLN 70 Ca -0.12 1.36 -0.14 0.00 -1.94 0.00 0.00 57.00 56.17 2yru n GLN 70 Cb 0.39 -2.36 -0.08 0.00 0.11 0.00 0.00 30.24 28.31 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 -0.46 -0.98 -1.09 4.39 -0.62 -2.13 114.58 113.69 2yru h GLU 71 Ca 0.75 0.03 0.28 0.00 0.34 0.00 0.00 59.36 60.76 2yru h GLU 71 Cb 1.87 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.59 2yru h GLU 71 CO -0.79 -0.16 0.70 1.25 -1.16 0.00 0.00 179.01 178.85 2yru h LEU 72 N -0.75 0.03 -0.21 1.33 6.46 0.20 0.71 115.31 123.08 2yru h LEU 72 Ca -0.05 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 2yru h LEU 72 Cb 0.51 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2yru h LEU 72 CO 0.08 0.01 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.69 2yru h LEU 73 N 0.03 0.49 0.00 2.25 3.38 -0.39 -2.46 115.31 118.61 2yru h LEU 73 Ca 0.47 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2yru h LEU 73 Cb 1.84 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2yru h LEU 73 CO -0.02 0.83 0.00 1.41 0.09 0.00 0.00 178.44 180.75 2yru n HIS 74 N -4.50 0.00 -0.74 1.13 8.25 0.20 -4.84 115.22 114.72 2yru n HIS 74 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2yru n HIS 74 Cb 0.36 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.10 0.00 -0.81 4.41 8.25 0.17 -4.92 115.22 121.22 2yru n HIS 75 Ca 0.21 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.33 2yru n HIS 75 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 1.25 -0.19 -0.41 1.13 0.12 -4.55 117.38 112.73 2yru n GLN 76 Ca 0.00 -1.46 -0.06 0.00 -1.94 0.00 0.00 57.00 53.54 2yru n GLN 76 Cb 0.00 -2.62 0.03 0.00 0.11 0.00 0.00 30.24 27.76 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 7.82 0.68 -0.80 1.08 4.06 -1.91 0.21 115.95 127.11 2yru h TRP 77 Ca 0.37 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.52 2yru h TRP 77 Cb 0.46 -0.23 -0.12 0.00 -1.00 0.00 0.00 29.16 28.28 2yru h TRP 77 CO 1.48 0.42 0.24 -0.44 -3.56 0.00 0.00 178.44 176.59 2yru h ASP 78 N 0.73 0.11 0.13 -3.49 5.19 -1.97 0.48 116.42 117.60 2yru h ASP 78 Ca 0.21 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 2yru h ASP 78 Cb -0.07 0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2yru h ASP 78 CO -0.05 -0.03 -0.06 0.00 -3.12 0.00 0.00 179.24 175.97 2yru h ALA 79 N 1.65 -0.18 -0.90 3.45 0.00 -1.65 -2.59 119.26 119.03 2yru h ALA 79 Ca 0.47 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.34 2yru h ALA 79 Cb 0.83 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 2yru h ALA 79 CO -0.52 -0.42 -0.38 0.00 0.00 0.00 0.00 179.25 177.92 2yru h ALA 80 N 0.26 0.10 0.19 0.00 0.00 0.83 0.24 119.26 120.88 2yru h ALA 80 Ca -0.02 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2yru h ALA 80 Cb 0.42 0.97 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2yru h ALA 80 CO 0.03 -0.64 -0.47 0.22 0.00 0.00 0.00 179.25 178.38 2yru h ASP 81 N -0.04 -1.39 -0.45 0.00 1.82 -0.95 0.81 116.42 116.21 2yru h ASP 81 Ca 0.32 0.14 0.04 0.00 -0.39 0.00 0.00 57.03 57.14 2yru h ASP 81 Cb 0.58 0.51 -0.06 0.00 0.68 0.00 0.00 39.33 41.04 2yru h ASP 81 CO -0.92 -0.55 -0.29 -0.78 -1.61 0.00 0.00 179.24 175.09 2yru h ASP 82 N -0.76 -1.05 -0.29 2.28 3.58 -0.21 0.47 116.42 120.45 2yru h ASP 82 Ca -0.00 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.67 2yru h ASP 82 Cb 0.75 0.46 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 2yru h ASP 82 CO -0.23 -0.12 -0.16 0.40 -2.88 0.00 0.00 179.24 176.25 2yru h ILE 83 N -0.02 0.53 -0.78 2.25 2.04 -0.66 -1.79 117.51 119.08 2yru h ILE 83 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2yru h ILE 83 Cb 0.21 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 2yru h ILE 83 CO -0.44 0.00 -0.53 -0.74 0.00 0.00 0.00 178.15 176.44 2yru h HIS 84 N -0.13 -1.64 -0.28 1.37 -0.00 0.36 0.92 115.15 115.75 2yru h HIS 84 Ca 0.15 0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.69 2yru h HIS 84 Cb 0.36 0.82 -0.08 0.00 -0.00 0.00 0.00 27.41 28.51 2yru h HIS 84 CO -0.35 -0.41 -0.38 0.00 -0.00 0.00 0.00 177.93 176.79 2yru h ARG 85 N -0.14 -0.35 -0.98 5.26 2.47 0.58 0.28 114.38 121.51 2yru h ARG 85 Ca 0.16 0.02 0.33 0.00 -1.26 0.00 0.00 59.98 59.24 2yru h ARG 85 Cb 0.51 0.08 -0.17 0.00 -1.65 0.00 0.00 29.97 28.74 2yru h ARG 85 CO -0.82 -0.23 0.34 0.77 0.56 0.00 0.00 179.97 180.59 2yru h SER 86 N -0.36 0.07 -0.10 7.04 0.02 -0.10 1.52 113.55 121.62 2yru h SER 86 Ca 0.12 0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2yru h SER 86 Cb 0.58 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2yru h SER 86 CO -0.48 -0.32 -0.22 -0.07 -1.14 0.00 0.00 176.83 174.60 2yru h LEU 87 N 0.09 0.37 0.00 5.07 3.38 0.40 -2.77 115.31 121.86 2yru h LEU 87 Ca 0.71 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2yru h LEU 87 Cb 1.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2yru h LEU 87 CO -0.77 0.87 0.00 0.23 0.09 0.00 0.00 178.44 178.87 2yru n MET 88 N -4.50 0.06 -0.05 1.13 2.81 0.30 -0.54 117.12 116.32 2yru n MET 88 Ca -0.07 0.25 -0.02 0.00 -1.81 0.00 0.00 57.70 56.05 2yru n MET 88 Cb 0.43 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.14 0.00 2.03 2.07 0.19 -3.38 116.25 117.31 2yru h VAL 89 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2yru h VAL 89 Cb 0.17 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2yru h VAL 89 CO 0.00 0.05 -0.01 0.47 0.02 0.00 0.00 177.57 178.10 2yru n ASP 90 N -4.75 0.03 -3.36 0.57 8.00 -1.13 -4.57 116.55 111.34 2yru n ASP 90 Ca -0.02 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.24 2yru n ASP 90 Cb 0.07 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 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 2.34 -0.09 1.24 8.25 0.30 -4.38 115.22 120.45 2yru n HIS 91 Ca -0.00 -2.77 -0.17 0.00 -0.26 0.00 0.00 57.72 54.52 2yru n HIS 91 Cb 0.01 -2.29 -0.11 0.00 1.12 0.00 0.00 29.99 28.72 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 3.32 1.15 0.00 1.59 3.04 -1.58 -2.78 116.25 120.99 2yru h VAL 92 Ca 0.73 -2.12 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 2yru h VAL 92 Cb 0.33 2.43 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2yru h VAL 92 CO 1.74 0.39 -0.15 0.74 -1.01 0.00 0.00 177.57 179.28 2yru h THR 93 N -1.00 0.78 0.01 3.17 2.02 -1.89 0.69 112.91 116.69 2yru h THR 93 Ca -0.18 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 2yru h THR 93 Cb 1.08 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2yru h THR 93 CO -0.11 0.15 -0.01 -0.33 0.37 0.00 0.00 175.52 175.59 2yru h GLU 94 N 0.00 -0.02 0.00 6.66 4.39 -1.88 -3.26 114.58 120.47 2yru h GLU 94 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2yru h GLU 94 Cb 0.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2yru h GLU 94 CO 0.02 0.69 -0.52 -0.39 -1.16 0.00 0.00 179.01 177.65 2yru h VAL 95 N -0.76 1.37 -2.41 3.13 -1.51 -1.24 -3.45 116.25 111.38 2yru h VAL 95 Ca -0.00 -1.78 -0.41 0.00 -1.23 0.00 0.00 66.70 63.28 2yru h VAL 95 Cb 0.72 1.96 0.22 0.00 -2.13 0.00 0.00 31.29 32.05 2yru h VAL 95 CO 0.00 0.51 -0.76 -1.54 -1.23 0.00 0.00 177.57 174.55 2yru n SER 96 N -3.92 -2.52 0.00 4.19 3.41 0.24 0.84 113.62 115.86 2yru n SER 96 Ca -0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2yru n SER 96 Cb 0.53 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.77 0.00 0.00 4.33 6.02 -1.26 -4.19 117.38 119.50 2yru n GLN 97 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2yru n GLN 97 Cb 0.57 -2.84 0.00 0.00 1.02 0.00 0.00 30.24 28.99 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 -2.00 -0.88 -0.39 1.08 4.27 -1.18 -4.84 117.44 113.50 2yru n TRP 98 Ca 0.00 0.00 0.33 0.00 -3.89 0.00 0.00 57.50 53.94 2yru n TRP 98 Cb 0.00 0.18 0.54 0.00 -1.36 0.00 0.00 31.31 30.66 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 -1.78 -0.02 -0.09 -2.67 1.56 0.25 0.21 117.12 114.58 2yru n MET 99 Ca 0.00 0.94 -0.06 0.00 -0.27 0.00 0.00 57.70 58.30 2yru n MET 99 Cb 0.00 -1.90 -0.00 0.00 2.15 0.00 0.00 33.22 33.47 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 0.48 0.45 1.12 -1.51 -1.92 0.36 116.25 115.24 2yru h VAL 100 Ca 0.68 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 66.14 2yru h VAL 100 Cb 2.30 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 31.92 2yru h VAL 100 CO -0.30 0.00 -0.49 1.23 -1.23 0.00 0.00 177.57 176.78 2yru h GLY 101 N -0.13 -1.24 -0.16 5.19 0.00 0.21 -1.52 103.07 105.42 2yru h GLY 101 Ca 0.17 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.15 2yru h GLY 101 CO -0.41 -0.36 -0.40 -2.08 0.00 0.00 0.00 176.54 173.29 2yru h VAL 102 N -0.94 0.15 -0.97 4.60 2.07 -1.42 0.75 116.25 120.49 2yru h VAL 102 Ca -0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2yru h VAL 102 Cb 0.83 0.15 -0.15 0.00 -1.52 0.00 0.00 31.29 30.60 2yru h VAL 102 CO -0.08 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.60 2yru h LYS 103 N -0.36 -0.01 -0.28 1.57 3.11 -0.03 0.55 116.57 121.11 2yru h LYS 103 Ca 0.12 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 2yru h LYS 103 Cb 0.58 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 2yru h LYS 103 CO -0.50 -0.01 0.09 -0.09 -2.81 0.00 0.00 179.45 176.13 2yru h ARG 104 N -0.01 0.43 -0.74 1.90 9.65 -0.02 -2.98 114.38 122.62 2yru h ARG 104 Ca 0.31 -0.09 0.12 0.00 -1.10 0.00 0.00 59.98 59.23 2yru h ARG 104 Cb 0.57 -0.06 -0.13 0.00 -1.39 0.00 0.00 29.97 28.96 2yru h ARG 104 CO -0.96 0.48 -0.37 1.25 2.80 0.00 0.00 179.97 183.17 2yru h LEU 105 N 0.29 -1.30 -0.34 3.80 5.85 0.54 0.14 115.31 124.29 2yru h LEU 105 Ca 0.09 0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.11 2yru h LEU 105 Cb 0.22 0.65 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 2yru h LEU 105 CO -0.00 -0.30 -0.46 0.40 -0.34 0.00 0.00 178.44 177.74 2yru h ILE 106 N -0.11 0.00 -0.48 4.05 2.04 -0.61 0.63 117.51 123.03 2yru h ILE 106 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 2yru h ILE 106 Cb 0.57 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 2yru h ILE 106 CO -0.79 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 176.93 2yru h ALA 107 N -0.27 -0.37 -0.01 1.87 0.00 -0.92 0.33 119.26 119.89 2yru h ALA 107 Ca 0.06 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2yru h ALA 107 Cb 0.48 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2yru h ALA 107 CO -0.49 -0.84 -0.26 0.93 0.00 0.00 0.00 179.25 178.59 2yru h GLU 108 N -0.28 -0.30 -0.85 0.00 4.39 0.69 1.34 114.58 119.57 2yru h GLU 108 Ca 0.16 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.02 2yru h GLU 108 Cb 0.57 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.14 2yru h GLU 108 CO -0.62 -0.20 -0.33 0.87 -1.16 0.00 0.00 179.01 177.56 2yru h LYS 109 N -0.32 -0.05 -0.24 2.33 1.79 0.88 0.71 116.57 121.68 2yru h LYS 109 Ca 0.01 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2yru h LYS 109 Cb 0.34 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2yru h LYS 109 CO -0.18 -0.03 0.08 -0.22 -1.08 0.00 0.00 179.45 178.02 2yru h LYS 110 N -0.05 0.18 -0.17 3.15 3.64 0.46 -2.58 116.57 121.20 2yru h LYS 110 Ca 0.33 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2yru h LYS 110 Cb 0.59 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 2yru h LYS 110 CO -0.88 0.12 -0.35 1.03 -2.27 0.00 0.00 179.45 177.10 2yru h SER 111 N 0.18 -1.11 -0.92 4.20 0.87 0.74 0.44 113.55 117.95 2yru h SER 111 Ca 0.11 0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 2yru h SER 111 Cb 0.08 0.47 -0.12 0.00 -0.44 0.00 0.00 62.40 62.40 2yru h SER 111 CO -0.12 -0.38 -0.58 -0.07 -0.53 0.00 0.00 176.83 175.15 2yru h LEU 112 N -0.41 -2.11 0.21 2.23 3.38 0.10 -0.91 115.31 117.80 2yru h LEU 112 Ca 0.10 0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2yru h LEU 112 Cb 0.57 0.93 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2yru h LEU 112 CO -0.39 -0.26 -0.39 -1.28 0.09 0.00 0.00 178.44 176.21 2yru h SER 113 N -0.06 -1.13 -4.69 -0.43 0.87 -1.08 -3.48 113.55 103.56 2yru h SER 113 Ca 0.15 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2yru h SER 113 Cb 0.44 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2yru h SER 113 CO -0.89 -0.45 -0.45 0.61 -0.53 0.00 0.00 176.83 175.11 2yru n GLY 114 N -1.39 -1.73 3.64 5.77 0.00 0.07 -4.92 105.19 106.64 2yru n GLY 114 Ca -0.07 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 2yru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yru s PRO 115 N -2.01 3.99 0.29 1.61 0.04 -1.26 -4.62 135.00 133.04 2yru s PRO 115 Ca 0.15 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2yru s PRO 115 Cb -0.04 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2yru s PRO 115 CO 0.58 -1.02 0.00 0.43 0.04 0.00 0.00 177.00 177.03 2yru n SER 116 N 7.42 -8.97 -4.69 6.66 7.64 -1.26 -4.81 113.62 115.60 2yru n SER 116 Ca 0.15 1.31 -0.44 0.00 1.01 0.00 0.00 58.87 60.90 2yru n SER 116 Cb 0.46 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.77 2yru n SER 116 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yru n SER 117 N 1.10 2.97 -0.24 6.43 7.64 -1.26 -5.25 113.62 125.01 2yru n SER 117 Ca 0.00 1.16 0.03 0.00 1.01 0.00 0.00 58.87 61.07 2yru n SER 117 Cb 0.00 -1.48 0.03 0.00 -1.01 0.00 0.00 64.21 61.75 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64