#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 -0.21 -0.25 1.61 1.04 -1.26 -5.18 113.70 109.44 2yru s SER 2 Ca 0.00 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.41 2yru s SER 2 Cb 0.00 0.23 0.18 0.00 0.10 0.00 0.00 66.02 66.53 2yru s SER 2 CO 0.00 -0.17 1.26 -0.55 0.98 0.00 0.00 173.24 174.77 2yru s SER 3 N -0.80 -0.13 -0.30 7.02 0.15 -1.26 -5.17 113.70 113.22 2yru s SER 3 Ca 0.04 0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 2yru s SER 3 Cb -0.02 0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.59 2yru s SER 3 CO -0.05 -0.12 1.19 -0.83 1.20 0.00 0.00 173.24 174.64 2yru s GLY 4 N -1.02 0.29 -0.19 9.45 0.00 -1.26 -5.17 107.32 109.41 2yru s GLY 4 Ca 0.06 3.56 -0.27 0.00 0.00 0.00 0.00 44.72 48.07 2yru s GLY 4 CO -0.06 3.06 0.70 -0.56 0.00 0.00 0.00 173.10 176.25 2yru s SER 5 N 1.70 -0.71 0.53 1.64 0.01 -1.26 -5.18 113.70 110.44 2yru s SER 5 Ca -0.04 1.19 0.03 0.00 1.31 0.00 0.00 55.95 58.45 2yru s SER 5 Cb -0.02 1.15 0.04 0.00 0.21 0.00 0.00 66.02 67.39 2yru s SER 5 CO -0.14 -0.37 0.74 -0.44 0.41 0.00 0.00 173.24 173.45 2yru s SER 6 N -0.15 5.28 0.00 2.44 0.01 -1.26 -5.09 113.70 114.93 2yru s SER 6 Ca -0.04 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2yru s SER 6 Cb -0.03 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2yru s SER 6 CO 0.04 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2yru n GLY 7 N -2.26 4.03 3.15 3.44 0.00 -1.26 -5.15 105.19 107.15 2yru n GLY 7 Ca 0.09 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.68 2yru n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yru s VAL 8 N -0.20 -0.87 -0.07 1.61 0.11 -1.26 -5.15 120.40 114.56 2yru s VAL 8 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2yru s VAL 8 Cb 0.00 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2yru s VAL 8 CO 0.00 0.00 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.07 2yru s ILE 9 N 2.86 3.69 -0.29 7.04 -1.09 -1.26 -5.10 121.20 127.06 2yru s ILE 9 Ca 0.15 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 58.04 2yru s ILE 9 Cb -0.11 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 2yru s ILE 9 CO -0.23 0.59 0.04 -1.61 -1.23 0.00 0.00 174.94 172.50 2yru s GLU 10 N -0.73 2.93 -0.30 2.79 2.02 -1.26 -5.00 118.70 119.15 2yru s GLU 10 Ca 0.11 -0.95 -0.14 0.00 0.02 0.00 0.00 54.97 54.02 2yru s GLU 10 Cb -0.11 -3.25 0.18 0.00 0.10 0.00 0.00 34.13 31.05 2yru s GLU 10 CO 0.02 -0.46 1.12 -1.12 0.02 0.00 0.00 175.26 174.84 2yru s SER 11 N 1.42 -0.18 0.04 -0.19 0.01 -1.26 -5.13 113.70 108.42 2yru s SER 11 Ca 0.01 -0.01 -0.32 0.00 1.31 0.00 0.00 55.95 56.94 2yru s SER 11 Cb -0.17 0.88 -0.11 0.00 0.21 0.00 0.00 66.02 66.83 2yru s SER 11 CO 0.00 -0.03 1.88 -0.62 0.41 0.00 0.00 173.24 174.88 2yru n GLU 12 N 4.67 2.62 -4.88 12.44 4.71 -1.26 -4.85 120.64 134.09 2yru n GLU 12 Ca 0.09 0.96 -0.26 0.00 -0.01 0.00 0.00 57.16 57.94 2yru n GLU 12 Cb 0.60 -2.85 -0.15 0.00 -1.01 0.00 0.00 31.44 28.02 2yru n GLU 12 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2yru s THR 13 N 3.52 1.57 0.07 2.62 2.01 -1.26 -5.14 115.64 119.03 2yru s THR 13 Ca 0.87 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2yru s THR 13 Cb -0.53 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2yru s THR 13 CO 0.43 0.38 0.03 -0.76 -0.69 0.00 0.00 174.62 174.00 2yru s LEU 14 N -0.63 3.60 0.14 4.42 1.43 -1.26 -5.01 118.68 121.37 2yru s LEU 14 Ca 0.07 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 2yru s LEU 14 Cb -0.08 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2yru s LEU 14 CO -0.00 0.19 1.73 -0.29 0.23 0.00 0.00 176.35 178.21 2yru h ILE 15 N 2.89 0.85 0.00 -0.59 2.10 -1.98 0.37 117.51 121.14 2yru h ILE 15 Ca -0.48 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.42 2yru h ILE 15 Cb 1.17 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2yru h ILE 15 CO 0.61 0.02 0.00 -0.62 -1.08 0.00 0.00 178.15 177.09 2yru n GLU 16 N -5.11 0.00 0.02 2.19 1.02 -1.26 0.23 120.64 117.74 2yru n GLU 16 Ca -0.01 0.37 0.05 0.00 -0.02 0.00 0.00 57.16 57.55 2yru n GLU 16 Cb 0.12 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.52 0.50 0.01 1.62 9.92 0.11 -1.81 116.55 125.37 2yru n ASP 17 Ca 0.02 0.21 0.06 0.00 -0.53 0.00 0.00 54.79 54.54 2yru n ASP 17 Cb 0.09 0.88 -0.12 0.00 -0.64 0.00 0.00 41.12 41.33 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 -2.63 0.57 -0.04 2.53 0.31 0.11 -4.24 118.33 114.94 2yru n VAL 18 Ca -0.08 -0.60 -0.14 0.00 -0.01 0.00 0.00 64.34 63.51 2yru n VAL 18 Cb 0.72 -0.28 -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 -2.54 1.49 -0.26 7.52 7.99 0.14 -3.41 117.00 127.93 2yru n LEU 19 Ca -0.09 0.22 0.03 0.00 -0.01 0.00 0.00 56.01 56.16 2yru n LEU 19 Cb 0.71 -0.28 0.12 0.00 -0.11 0.00 0.00 43.42 43.85 2yru n LEU 19 CO 0.44 0.61 0.75 0.03 -1.51 0.00 0.00 177.39 177.71 2yru h ARG 20 N 0.02 0.03 0.24 3.23 2.47 -1.53 1.26 114.38 120.11 2yru h ARG 20 Ca -0.41 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2yru h ARG 20 Cb 2.05 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 2yru h ARG 20 CO 0.05 0.02 -0.12 -1.00 0.56 0.00 0.00 179.97 179.49 2yru h PRO 21 N 0.03 -0.32 -1.29 0.04 0.13 -1.75 -2.57 132.00 126.27 2yru h PRO 21 Ca 0.38 0.02 0.38 0.00 -0.87 0.00 0.00 66.00 65.92 2yru h PRO 21 Cb 0.62 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.73 2yru h PRO 21 CO -0.73 -0.18 0.87 -0.07 -0.23 0.00 0.00 178.00 177.65 2yru h LEU 22 N -1.08 0.21 0.32 1.56 3.38 -1.50 0.33 115.31 118.54 2yru h LEU 22 Ca -0.03 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2yru h LEU 22 Cb 0.28 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2yru h LEU 22 CO 0.06 -0.04 -0.15 -0.33 0.09 0.00 0.00 178.44 178.06 2yru h GLU 23 N 0.14 -0.41 -0.61 1.13 5.08 0.16 -2.75 114.58 117.32 2yru h GLU 23 Ca 0.71 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.28 2yru h GLU 23 Cb 2.36 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.67 2yru h GLU 23 CO -0.24 -0.08 0.80 -0.56 -1.00 0.00 0.00 179.01 177.93 2yru h GLN 24 N -0.83 0.00 0.23 2.33 3.07 0.07 0.23 115.11 120.21 2yru h GLN 24 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 2yru h GLN 24 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2yru h GLN 24 CO 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 178.83 178.88 2yru h ALA 25 N 0.96 -0.30 -0.31 0.06 0.00 -1.11 -2.64 119.26 115.91 2yru h ALA 25 Ca 0.29 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2yru h ALA 25 Cb 1.89 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 2yru h ALA 25 CO -0.00 -0.31 -0.24 1.25 0.00 0.00 0.00 179.25 179.95 2yru h LEU 26 N -1.03 -0.84 -0.91 0.00 5.85 -0.29 1.24 115.31 119.32 2yru h LEU 26 Ca -0.03 0.12 0.25 0.00 0.84 0.00 0.00 57.88 59.06 2yru h LEU 26 Cb 0.37 0.36 -0.14 0.00 0.37 0.00 0.00 40.66 41.62 2yru h LEU 26 CO 0.05 -0.12 0.37 1.05 -0.34 0.00 0.00 178.44 179.45 2yru h GLU 27 N -0.06 0.30 -0.59 1.25 -0.00 -1.58 1.33 114.58 115.22 2yru h GLU 27 Ca 0.05 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.34 2yru h GLU 27 Cb 0.20 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 28.85 2yru h GLU 27 CO -0.33 0.20 0.14 -0.44 -0.00 0.00 0.00 179.01 178.58 2yru h ASP 28 N 0.31 0.85 -0.04 3.06 3.32 0.32 -1.82 116.42 122.42 2yru h ASP 28 Ca 0.59 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 2yru h ASP 28 Cb 1.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 2yru h ASP 28 CO -0.60 0.84 -0.04 0.00 -1.72 0.00 0.00 179.24 177.72 2yru h HIS 30 N -0.34 0.53 -0.87 0.00 -0.00 0.12 1.27 115.15 115.85 2yru h HIS 30 Ca 0.01 0.02 -0.54 0.00 -0.00 0.00 0.00 60.37 59.86 2yru h HIS 30 Cb 0.54 -0.15 -0.26 0.00 -0.00 0.00 0.00 27.41 27.54 2yru h HIS 30 CO 0.09 0.04 0.69 0.41 -0.00 0.00 0.00 177.93 179.17 2yru n GLY 31 N -1.53 4.97 0.47 5.26 0.00 -0.71 -4.64 105.19 109.01 2yru n GLY 31 Ca 0.25 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2yru n GLY 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yru n HIS 32 N -0.73 -0.58 -1.40 1.61 -0.00 0.30 -4.99 115.22 109.42 2yru n HIS 32 Ca 0.54 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.91 2yru n HIS 32 Cb 0.97 0.12 0.10 0.00 -0.00 0.00 0.00 29.99 31.18 2yru n HIS 32 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2yru s THR 33 N -0.37 2.11 1.04 3.57 2.01 0.36 -4.95 115.64 119.41 2yru s THR 33 Ca 0.00 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 2yru s THR 33 Cb 0.00 -2.69 0.06 0.00 0.01 0.00 0.00 72.50 69.88 2yru s THR 33 CO 0.00 -0.03 -0.22 0.29 -0.69 0.00 0.00 174.62 173.97 2yru n LYS 34 N -2.70 -1.45 -0.04 4.92 5.02 -1.26 -4.51 118.16 118.14 2yru n LYS 34 Ca 0.14 -0.42 -0.01 0.00 -2.02 0.00 0.00 58.31 56.01 2yru n LYS 34 Cb 0.50 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.05 0.00 -1.03 1.97 1.63 -1.92 -2.45 116.57 112.73 2yru h LYS 35 Ca -0.40 0.00 0.39 0.00 -0.85 0.00 0.00 60.65 59.79 2yru h LYS 35 Cb 1.14 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.60 2yru h LYS 35 CO 0.26 0.00 0.58 1.96 -3.45 0.00 0.00 179.45 178.80 2yru h GLN 36 N -0.84 0.12 0.33 1.90 1.08 -1.98 1.55 115.11 117.27 2yru h GLN 36 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2yru h GLN 36 Cb 0.07 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2yru h GLN 36 CO 0.00 0.08 -0.16 0.28 -0.95 0.00 0.00 178.83 178.08 2yru h VAL 37 N 0.12 0.48 -0.32 -0.54 2.07 -1.93 -2.01 116.25 114.12 2yru h VAL 37 Ca 0.81 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2yru h VAL 37 Cb 2.08 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.54 2yru h VAL 37 CO -0.69 0.11 -0.14 0.00 0.02 0.00 0.00 177.57 176.87 2yru h ASP 39 N -0.09 0.36 0.59 0.00 3.58 0.19 0.13 116.42 121.18 2yru h ASP 39 Ca 0.16 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 2yru h ASP 39 Cb 0.33 0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.49 2yru h ASP 39 CO -0.38 0.05 -0.28 -0.78 -2.88 0.00 0.00 179.24 174.97 2yru h ASP 40 N 0.45 -0.67 -0.36 2.28 3.58 0.08 0.40 116.42 122.17 2yru h ASP 40 Ca 0.53 0.02 0.03 0.00 0.42 0.00 0.00 57.03 58.04 2yru h ASP 40 Cb 0.94 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.12 2yru h ASP 40 CO -0.49 -0.46 -0.26 0.40 -2.88 0.00 0.00 179.24 175.55 2yru h ILE 41 N -0.83 0.00 -0.71 2.25 2.04 -0.07 0.69 117.51 120.89 2yru h ILE 41 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 2yru h ILE 41 Cb 0.60 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 2yru h ILE 41 CO 0.13 0.00 -0.41 0.77 0.00 0.00 0.00 178.15 178.64 2yru h SER 42 N -0.06 -1.44 -1.30 1.72 4.64 -0.82 1.03 113.55 117.32 2yru h SER 42 Ca 0.06 0.26 0.42 0.00 -0.47 0.00 0.00 61.79 62.06 2yru h SER 42 Cb 0.21 0.69 -0.12 0.00 -0.31 0.00 0.00 62.40 62.87 2yru h SER 42 CO -0.38 -0.31 0.84 0.03 -0.87 0.00 0.00 176.83 176.14 2yru h ARG 43 N -0.14 0.11 -0.00 4.77 3.08 0.14 0.59 114.38 122.93 2yru h ARG 43 Ca 0.23 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2yru h ARG 43 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2yru h ARG 43 CO -0.77 0.08 -0.00 0.00 -1.07 0.00 0.00 179.97 178.20 2yru h ARG 44 N 0.12 0.00 -0.53 0.04 2.47 0.23 -3.26 114.38 113.45 2yru h ARG 44 Ca 0.79 -0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.61 2yru h ARG 44 Cb 2.46 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 30.68 2yru h ARG 44 CO -0.39 0.72 -0.19 -0.07 0.56 0.00 0.00 179.97 180.60 2yru h LEU 45 N -0.71 -0.67 -1.93 3.04 3.38 0.15 1.05 115.31 119.62 2yru h LEU 45 Ca -0.00 0.18 0.36 0.00 0.09 0.00 0.00 57.88 58.51 2yru h LEU 45 Cb 0.72 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2yru h LEU 45 CO 0.00 -0.22 0.89 0.00 0.09 0.00 0.00 178.44 179.20 2yru h ALA 46 N 1.38 3.11 0.03 1.53 0.00 -1.02 0.20 119.26 124.48 2yru h ALA 46 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2yru h ALA 46 Cb 0.45 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2yru h ALA 46 CO -0.58 -1.48 -0.02 1.25 0.00 0.00 0.00 179.25 178.43 2yru h LEU 47 N 0.04 -0.04 -1.50 0.00 6.46 0.10 -2.32 115.31 118.06 2yru h LEU 47 Ca 0.61 0.00 0.48 0.00 -0.12 0.00 0.00 57.88 58.84 2yru h LEU 47 Cb 2.34 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 42.16 2yru h LEU 47 CO -0.04 0.38 0.96 0.25 -0.62 0.00 0.00 178.44 179.36 2yru h LEU 48 N -0.85 0.18 -0.05 2.25 5.85 0.59 1.88 115.31 125.17 2yru h LEU 48 Ca -0.00 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2yru h LEU 48 Cb 0.03 0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.19 2yru h LEU 48 CO 0.01 -0.19 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.42 2yru h ARG 49 N 0.03 0.35 -0.72 1.25 2.43 -0.76 0.18 114.38 117.15 2yru h ARG 49 Ca 0.87 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 59.65 2yru h ARG 49 Cb 2.89 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 32.48 2yru h ARG 49 CO -0.38 0.98 0.19 1.05 -1.51 0.00 0.00 179.97 180.30 2yru h GLU 50 N -0.16 1.13 -0.19 0.20 4.11 0.30 0.33 114.58 120.31 2yru h GLU 50 Ca -0.04 -0.26 -0.17 0.00 0.07 0.00 0.00 59.36 58.96 2yru h GLU 50 Cb 1.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2yru h GLU 50 CO 0.08 0.98 -0.58 1.96 0.07 0.00 0.00 179.01 181.52 2yru h GLN 51 N 1.08 0.61 0.40 1.06 4.20 0.79 1.53 115.11 124.78 2yru h GLN 51 Ca 0.23 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 2yru h GLN 51 Cb 0.35 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2yru h GLN 51 CO -0.00 1.02 -0.19 2.35 -0.67 0.00 0.00 178.83 181.34 2yru h TRP 52 N 0.46 -0.49 0.50 2.96 2.91 -0.61 0.15 115.95 121.83 2yru h TRP 52 Ca 0.00 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 2yru h TRP 52 Cb 1.15 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2yru h TRP 52 CO 0.05 -0.17 -0.24 0.00 -1.03 0.00 0.00 178.44 177.06 2yru h ALA 53 N -0.49 -0.67 -1.40 2.65 0.00 -0.38 -2.91 119.26 116.07 2yru h ALA 53 Ca -0.05 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.11 2yru h ALA 53 Cb 0.55 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2yru h ALA 53 CO 0.09 -0.71 0.95 0.41 0.00 0.00 0.00 179.25 179.99 2yru n GLY 54 N -0.46 -0.78 0.61 0.00 0.00 0.52 -4.69 105.19 100.40 2yru n GLY 54 Ca -0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.59 1.42 0.01 -0.02 0.00 -0.98 -4.97 105.19 99.06 2yru n GLY 55 Ca 0.36 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.15 0.14 -3.26 1.61 4.76 0.46 -4.91 118.16 115.81 2yru n LYS 56 Ca 0.00 -0.02 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 2yru n LYS 56 Cb 0.14 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 2yru n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yru s LEU 57 N -3.41 4.35 0.40 -0.35 1.43 -0.82 -5.00 118.68 115.28 2yru s LEU 57 Ca 0.06 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 54.22 2yru s LEU 57 Cb 0.16 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 2yru s LEU 57 CO 0.82 0.09 0.83 -0.44 0.23 0.00 0.00 176.35 177.88 2yru s SER 58 N -1.67 6.69 0.19 2.29 0.01 -1.26 -4.95 113.70 115.01 2yru s SER 58 Ca 0.39 1.36 -0.12 0.00 1.31 0.00 0.00 55.95 58.90 2yru s SER 58 Cb -0.16 -2.41 0.18 0.00 0.21 0.00 0.00 66.02 63.84 2yru s SER 58 CO 0.20 -0.37 1.79 0.40 0.41 0.00 0.00 173.24 175.67 2yru h ILE 59 N 1.47 0.94 0.00 1.44 2.04 -2.00 0.24 117.51 121.65 2yru h ILE 59 Ca -0.48 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2yru h ILE 59 Cb 1.18 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2yru h ILE 59 CO 0.63 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 178.07 2yru n PRO 60 N -4.87 0.37 0.07 2.37 -0.04 -1.26 -2.09 135.00 129.56 2yru n PRO 60 Ca 0.06 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2yru n PRO 60 Cb 0.16 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.25 0.44 -0.12 0.52 0.31 0.78 -3.38 118.33 115.63 2yru n VAL 61 Ca 0.12 -0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 63.77 2yru n VAL 61 Cb 0.17 -0.17 -0.10 0.00 -0.91 0.00 0.00 33.84 32.82 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 -2.40 0.57 0.05 5.55 5.02 -0.79 -2.93 118.16 123.22 2yru n LYS 62 Ca 0.01 0.45 0.20 0.00 -2.02 0.00 0.00 58.31 56.94 2yru n LYS 62 Cb 0.51 -1.64 0.72 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.00 0.00 0.17 1.97 1.57 -1.61 0.20 116.57 117.87 2yru h LYS 63 Ca -0.47 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.00 2yru h LYS 63 Cb 1.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.71 2yru h LYS 63 CO -0.28 0.00 -1.46 0.00 -0.57 0.00 0.00 179.45 177.14 2yru h ARG 64 N 0.00 0.36 0.88 3.15 3.08 -1.71 -3.33 114.38 116.81 2yru h ARG 64 Ca 0.21 -0.62 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 2yru h ARG 64 Cb 0.93 0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2yru h ARG 64 CO -0.00 1.27 -0.42 0.52 -1.07 0.00 0.00 179.97 180.27 2yru h MET 65 N 0.10 -1.14 -1.33 0.04 2.86 -0.57 -2.56 114.93 112.33 2yru h MET 65 Ca -0.23 0.08 0.46 0.00 -2.06 0.00 0.00 59.70 57.95 2yru h MET 65 Cb 2.06 0.26 -0.13 0.00 0.06 0.00 0.00 31.60 33.85 2yru h MET 65 CO 0.21 -0.76 0.86 0.00 1.06 0.00 0.00 176.91 178.28 2yru n ALA 66 N -2.65 1.32 0.15 6.32 0.00 -0.15 0.67 120.51 126.16 2yru n ALA 66 Ca -0.15 0.82 -0.12 0.00 0.00 0.00 0.00 53.44 53.99 2yru n ALA 66 Cb 0.47 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.02 -0.90 0.00 3.38 -1.56 1.15 115.31 116.36 2yru h LEU 67 Ca 0.84 0.09 0.19 0.00 0.09 0.00 0.00 57.88 59.10 2yru h LEU 67 Cb 2.73 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 43.72 2yru h LEU 67 CO -0.43 -0.42 0.45 0.25 0.09 0.00 0.00 178.44 178.38 2yru h LEU 68 N -0.61 0.48 0.62 1.67 6.46 0.23 -1.41 115.31 122.75 2yru h LEU 68 Ca -0.03 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2yru h LEU 68 Cb 0.56 0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2yru h LEU 68 CO -0.11 0.11 -0.30 0.58 -0.62 0.00 0.00 178.44 178.10 2yru h VAL 69 N 0.53 0.00 -1.07 1.05 2.07 -0.50 -0.18 116.25 118.15 2yru h VAL 69 Ca 0.54 -0.03 0.40 0.00 0.82 0.00 0.00 66.70 68.43 2yru h VAL 69 Cb 0.92 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 2yru h VAL 69 CO -0.45 0.00 0.64 0.00 0.02 0.00 0.00 177.57 177.78 2yru n GLN 70 N -4.31 -0.04 0.00 1.57 1.13 0.39 0.16 117.38 116.28 2yru n GLN 70 Ca -0.10 1.17 -0.13 0.00 -1.94 0.00 0.00 57.00 56.00 2yru n GLN 70 Cb 0.33 -2.21 -0.10 0.00 0.11 0.00 0.00 30.24 28.38 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 -0.07 -0.10 -1.09 4.39 -0.86 -2.82 114.58 114.03 2yru h GLU 71 Ca 0.77 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.51 2yru h GLU 71 Cb 2.27 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.94 2yru h GLU 71 CO -0.55 0.46 0.40 1.25 -1.16 0.00 0.00 179.01 179.41 2yru h LEU 72 N -0.64 0.00 0.01 1.33 6.46 0.34 0.46 115.31 123.27 2yru h LEU 72 Ca -0.01 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2yru h LEU 72 Cb 0.56 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2yru h LEU 72 CO 0.01 0.00 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.52 2yru h LEU 73 N 0.00 0.20 0.00 2.25 3.38 -0.76 -3.11 115.31 117.27 2yru h LEU 73 Ca 0.05 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2yru h LEU 73 Cb 0.85 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2yru h LEU 73 CO -0.00 0.99 0.00 1.41 0.09 0.00 0.00 178.44 180.93 2yru n HIS 74 N -4.51 0.00 -0.53 1.13 8.25 0.12 -4.83 115.22 114.86 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 0.51 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.15 4.41 8.25 0.11 -4.93 115.22 120.81 2yru n HIS 75 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 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 1.04 0.64 0.00 0.00 176.34 178.02 2yru n GLN 76 N -2.00 0.86 -0.07 -0.41 1.13 0.65 -4.56 117.38 112.97 2yru n GLN 76 Ca 0.00 -1.66 -0.07 0.00 -1.94 0.00 0.00 57.00 53.32 2yru n GLN 76 Cb 0.00 -3.05 0.10 0.00 0.11 0.00 0.00 30.24 27.40 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 9.35 0.84 -0.51 1.08 4.06 -1.92 -0.52 115.95 128.33 2yru h TRP 77 Ca 0.28 -0.19 0.10 0.00 2.06 0.00 0.00 58.89 61.14 2yru h TRP 77 Cb 0.77 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 2yru h TRP 77 CO 1.13 0.90 0.35 0.22 -3.56 0.00 0.00 178.44 177.48 2yru h ASP 78 N 0.64 0.22 0.02 -3.49 1.82 -1.97 -1.14 116.42 112.52 2yru h ASP 78 Ca 0.09 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 2yru h ASP 78 Cb 0.74 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2yru h ASP 78 CO 0.06 0.13 -0.21 0.00 -1.61 0.00 0.00 179.24 177.61 2yru h ALA 79 N 1.74 0.01 -0.88 -0.78 0.00 -1.75 -2.85 119.26 114.75 2yru h ALA 79 Ca 0.24 -0.58 0.19 0.00 0.00 0.00 0.00 54.91 54.75 2yru h ALA 79 Cb 0.62 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 2yru h ALA 79 CO -0.05 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.15 2yru h ALA 80 N -0.02 0.68 -0.53 0.00 0.00 -0.24 1.10 119.26 120.24 2yru h ALA 80 Ca -0.05 0.33 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2yru h ALA 80 Cb 1.11 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2yru h ALA 80 CO 0.01 -0.42 0.11 0.22 0.00 0.00 0.00 179.25 179.17 2yru h ASP 81 N 0.01 0.82 -0.15 0.00 1.82 -1.35 0.26 116.42 117.84 2yru h ASP 81 Ca 0.44 -0.24 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 2yru h ASP 81 Cb 0.73 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.45 2yru h ASP 81 CO -0.88 0.86 -0.47 -0.78 -1.61 0.00 0.00 179.24 176.35 2yru h ASP 82 N 0.75 -1.49 0.02 2.28 3.58 0.14 0.76 116.42 122.47 2yru h ASP 82 Ca 0.16 0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 2yru h ASP 82 Cb 0.37 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2yru h ASP 82 CO 0.01 -0.45 -0.01 0.40 -2.88 0.00 0.00 179.24 176.31 2yru h ILE 83 N -0.52 1.10 -0.75 2.25 2.04 -0.70 -2.32 117.51 118.61 2yru h ILE 83 Ca 0.06 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.69 2yru h ILE 83 Cb 0.65 1.36 -0.14 0.00 -0.74 0.00 0.00 36.82 37.95 2yru h ILE 83 CO -0.42 0.10 -0.21 -0.74 0.00 0.00 0.00 178.15 176.87 2yru h HIS 84 N -0.20 -0.47 0.33 1.37 -0.00 0.23 0.42 115.15 116.83 2yru h HIS 84 Ca -0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 2yru h HIS 84 Cb 0.18 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 2yru h HIS 84 CO -0.02 -0.33 -0.31 0.00 -0.00 0.00 0.00 177.93 177.26 2yru h ARG 85 N -0.02 -0.62 -1.12 5.26 2.47 0.74 0.64 114.38 121.73 2yru h ARG 85 Ca 0.35 0.04 0.32 0.00 -1.26 0.00 0.00 59.98 59.43 2yru h ARG 85 Cb 0.56 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 28.91 2yru h ARG 85 CO -0.78 -0.41 0.72 0.77 0.56 0.00 0.00 179.97 180.83 2yru h SER 86 N -0.64 0.39 0.11 7.04 0.02 -0.71 1.74 113.55 121.50 2yru h SER 86 Ca -0.04 0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.85 2yru h SER 86 Cb 0.55 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2yru h SER 86 CO -0.03 -0.01 -0.61 -0.07 -1.14 0.00 0.00 176.83 174.97 2yru h LEU 87 N 0.29 0.56 -0.01 5.07 3.38 0.71 -2.67 115.31 122.64 2yru h LEU 87 Ca 0.67 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2yru h LEU 87 Cb 1.85 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2yru h LEU 87 CO -0.36 1.04 -0.05 0.80 0.09 0.00 0.00 178.44 179.96 2yru n MET 88 N -3.92 0.08 -0.02 1.13 1.56 0.52 -1.23 117.12 115.24 2yru n MET 88 Ca -0.04 -0.01 -0.10 0.00 -0.27 0.00 0.00 57.70 57.29 2yru n MET 88 Cb 0.64 -1.50 -0.08 0.00 2.15 0.00 0.00 33.22 34.42 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 0.02 1.08 0.00 1.12 2.07 0.89 -3.35 116.25 118.08 2yru h VAL 89 Ca 0.00 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2yru h VAL 89 Cb 0.47 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2yru h VAL 89 CO 0.00 0.33 -0.14 0.47 0.02 0.00 0.00 177.57 178.25 2yru n ASP 90 N -4.77 0.33 -3.34 0.57 8.00 -1.16 -4.55 116.55 111.63 2yru n ASP 90 Ca -0.07 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.28 2yru n ASP 90 Cb 0.29 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.77 2.08 0.05 1.24 8.25 -0.37 -4.29 115.22 119.41 2yru n HIS 91 Ca -0.02 -2.50 -0.00 0.00 -0.26 0.00 0.00 57.72 54.93 2yru n HIS 91 Cb 0.07 -2.10 -0.07 0.00 1.12 0.00 0.00 29.99 29.01 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 3.44 0.60 -0.00 1.59 3.04 -1.69 -2.68 116.25 120.55 2yru h VAL 92 Ca 0.64 -2.10 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 2yru h VAL 92 Cb 0.31 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2yru h VAL 92 CO 1.68 0.34 -0.34 0.41 -1.01 0.00 0.00 177.57 178.65 2yru n THR 93 N -2.96 0.00 -0.07 3.17 -1.04 -1.26 -2.73 114.28 109.39 2yru n THR 93 Ca -0.08 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 61.86 2yru n THR 93 Cb 0.84 0.04 -0.02 0.00 -1.82 0.00 0.00 70.33 69.36 2yru n THR 93 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2yru n GLU 94 N -1.45 0.41 -0.25 -2.82 1.02 -1.24 -4.53 120.64 111.78 2yru n GLU 94 Ca 0.06 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2yru n GLU 94 Cb 0.33 -1.32 0.12 0.00 -0.02 0.00 0.00 31.44 30.56 2yru n GLU 94 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2yru h VAL 95 N -0.81 0.93 -2.60 2.62 -1.51 -1.66 -3.43 116.25 109.79 2yru h VAL 95 Ca 0.00 -0.24 -0.54 0.00 -1.23 0.00 0.00 66.70 64.69 2yru h VAL 95 Cb 0.71 0.17 0.23 0.00 -2.13 0.00 0.00 31.29 30.27 2yru h VAL 95 CO 0.00 0.13 -1.29 -1.54 -1.23 0.00 0.00 177.57 173.63 2yru n SER 96 N -4.79 -4.01 0.00 4.19 3.41 -1.11 -0.75 113.62 110.57 2yru n SER 96 Ca 0.10 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2yru n SER 96 Cb 0.22 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 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 0.43 0.00 0.00 4.33 7.27 -1.26 -4.45 117.38 123.71 2yru n GLN 97 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2yru n GLN 97 Cb 0.56 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.50 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 -2.05 -0.67 -0.25 3.69 4.27 -1.15 -4.87 117.44 116.40 2yru n TRP 98 Ca 0.00 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.79 2yru n TRP 98 Cb 0.00 0.13 0.34 0.00 -1.36 0.00 0.00 31.31 30.42 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 -1.64 -0.05 -0.27 -2.67 1.56 0.07 0.20 117.12 114.32 2yru n MET 99 Ca 0.00 1.06 0.02 0.00 -0.27 0.00 0.00 57.70 58.51 2yru n MET 99 Cb 0.00 -1.81 0.09 0.00 2.15 0.00 0.00 33.22 33.65 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 0.21 0.39 1.12 -1.51 -1.92 0.24 116.25 114.78 2yru h VAL 100 Ca 0.55 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.01 2yru h VAL 100 Cb 1.34 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.68 2yru h VAL 100 CO -0.63 0.00 -0.45 1.23 -1.23 0.00 0.00 177.57 176.49 2yru h GLY 101 N -0.01 -1.06 -0.21 5.19 0.00 0.19 -2.20 103.07 104.97 2yru h GLY 101 Ca 0.37 0.52 0.09 0.00 0.00 0.00 0.00 47.33 48.32 2yru h GLY 101 CO -0.81 -0.33 -0.28 -2.08 0.00 0.00 0.00 176.54 173.03 2yru h VAL 102 N -0.87 0.26 -0.91 4.60 2.07 -1.00 0.74 116.25 121.14 2yru h VAL 102 Ca -0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.68 2yru h VAL 102 Cb 0.78 0.26 -0.17 0.00 -1.52 0.00 0.00 31.29 30.65 2yru h VAL 102 CO -0.10 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 177.84 2yru h LYS 103 N -0.18 0.01 0.02 1.57 3.64 -0.23 0.25 116.57 121.66 2yru h LYS 103 Ca 0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2yru h LYS 103 Cb 0.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2yru h LYS 103 CO -0.57 0.01 -0.01 -0.09 -2.27 0.00 0.00 179.45 176.51 2yru h ARG 104 N 0.01 -0.03 -0.95 1.90 9.65 -0.05 -3.22 114.38 121.69 2yru h ARG 104 Ca 0.46 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.51 2yru h ARG 104 Cb 0.77 0.01 -0.17 0.00 -1.39 0.00 0.00 29.97 29.20 2yru h ARG 104 CO -0.91 0.48 -0.33 1.25 2.80 0.00 0.00 179.97 183.26 2yru h LEU 105 N -0.55 -1.21 0.00 3.80 6.46 0.32 0.39 115.31 124.53 2yru h LEU 105 Ca -0.00 0.30 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2yru h LEU 105 Cb 0.52 0.68 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2yru h LEU 105 CO 0.01 -0.30 0.00 -0.38 -0.62 0.00 0.00 178.44 177.14 2yru n ILE 106 N -5.52 0.00 -0.26 4.05 5.41 0.57 0.14 119.36 123.75 2yru n ILE 106 Ca 0.12 1.50 0.01 0.00 1.00 0.00 0.00 62.75 65.38 2yru n ILE 106 Cb 0.43 -2.15 0.09 0.00 -0.71 0.00 0.00 39.64 37.29 2yru n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yru h ALA 107 N -1.31 0.48 0.11 -1.39 0.00 -1.11 0.34 119.26 116.39 2yru h ALA 107 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2yru h ALA 107 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2yru h ALA 107 CO 0.00 -0.42 -0.28 0.93 0.00 0.00 0.00 179.25 179.48 2yru h GLU 108 N -0.00 -0.42 -0.76 0.00 5.08 0.11 0.10 114.58 118.69 2yru h GLU 108 Ca 0.36 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.92 2yru h GLU 108 Cb 0.55 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.76 2yru h GLU 108 CO -0.77 -0.28 0.02 0.87 -1.00 0.00 0.00 179.01 177.84 2yru h LYS 109 N -0.44 0.11 -0.61 2.33 1.79 0.25 0.55 116.57 120.55 2yru h LYS 109 Ca -0.01 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 2yru h LYS 109 Cb 0.42 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.96 2yru h LYS 109 CO -0.13 0.07 0.11 -0.22 -1.08 0.00 0.00 179.45 178.20 2yru h LYS 110 N 0.11 0.23 0.04 3.15 3.64 0.42 -1.90 116.57 122.26 2yru h LYS 110 Ca 0.42 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2yru h LYS 110 Cb 0.74 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 2yru h LYS 110 CO -0.66 0.15 -0.37 1.03 -2.27 0.00 0.00 179.45 177.33 2yru h SER 111 N 0.24 -1.12 -0.96 4.20 0.87 0.26 -1.71 113.55 115.32 2yru h SER 111 Ca 0.32 0.12 0.16 0.00 -1.23 0.00 0.00 61.79 61.16 2yru h SER 111 Cb 0.49 0.42 -0.16 0.00 -0.44 0.00 0.00 62.40 62.70 2yru h SER 111 CO -0.42 -0.37 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.08 2yru h LEU 112 N -0.49 -1.30 -0.74 2.23 4.07 -0.85 0.14 115.31 118.37 2yru h LEU 112 Ca 0.00 0.30 0.07 0.00 0.08 0.00 0.00 57.88 58.33 2yru h LEU 112 Cb 0.51 0.71 -0.09 0.00 1.08 0.00 0.00 40.66 42.87 2yru h LEU 112 CO -0.22 -0.30 -0.43 -0.24 -1.08 0.00 0.00 178.44 176.17 2yru n SER 113 N -5.50 -0.78 0.00 -0.43 2.88 -0.68 -4.91 113.62 104.21 2yru n SER 113 Ca 0.11 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.21 2yru n SER 113 Cb 0.42 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2yru n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yru n GLY 114 N -1.18 -1.62 3.81 0.46 0.00 0.50 -5.13 105.19 102.03 2yru n GLY 114 Ca 0.01 0.73 -0.32 0.00 0.00 0.00 0.00 46.02 46.45 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 0.62 3.16 0.18 1.61 0.04 -1.26 -4.72 135.00 134.62 2yru s PRO 115 Ca 0.00 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.19 2yru s PRO 115 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2yru s PRO 115 CO 0.00 -0.93 -0.20 0.45 0.04 0.00 0.00 177.00 176.36 2yru s SER 116 N -3.34 2.91 -0.31 6.66 0.15 -1.26 -4.11 113.70 114.40 2yru s SER 116 Ca 0.60 -0.87 -0.34 0.00 0.70 0.00 0.00 55.95 56.04 2yru s SER 116 Cb -0.15 -0.19 -0.10 0.00 -1.71 0.00 0.00 66.02 63.87 2yru s SER 116 CO 0.46 0.01 2.17 -1.54 1.20 0.00 0.00 173.24 175.54 2yru n SER 117 N 0.25 2.38 0.00 5.45 3.41 -1.26 -5.08 113.62 118.77 2yru n SER 117 Ca -0.13 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2yru n SER 117 Cb 0.57 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49