#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s PRO 5 N 0.00 2.96 0.27 1.97 0.02 -1.26 -4.93 135.00 134.03 1yi2 s PRO 5 Ca 0.00 1.63 0.25 0.00 0.02 0.00 0.00 61.00 62.90 1yi2 s PRO 5 Cb 0.00 -1.95 0.95 0.00 0.02 0.00 0.00 34.50 33.52 1yi2 s PRO 5 CO 0.00 -1.17 1.74 0.00 -0.33 0.00 0.00 177.00 177.24 1yi2 h ALA 6 N 0.62 1.00 -0.14 -1.55 0.00 -2.01 -2.81 119.26 114.38 1yi2 h ALA 6 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1yi2 h ALA 6 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1yi2 h ALA 6 CO 0.55 0.00 0.13 0.66 0.00 0.00 0.00 179.25 180.58 1yi2 h SER 7 N 0.00 0.00 1.68 0.00 4.64 -2.00 0.36 113.55 118.24 1yi2 h SER 7 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yi2 h SER 7 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1yi2 h SER 7 CO 0.00 0.00 -0.02 0.24 -0.87 0.00 0.00 176.83 176.18 1yi2 h MET 8 N 0.00 0.00 0.00 4.77 2.86 -1.89 -3.39 114.93 117.29 1yi2 h MET 8 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1yi2 h MET 8 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1yi2 h MET 8 CO -0.00 0.02 0.00 0.66 1.06 0.00 0.00 176.91 178.65 1yi2 n TYR 9 N -3.11 0.00 0.30 -0.22 4.02 -0.05 -4.86 117.16 113.24 1yi2 n TYR 9 Ca 0.03 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.11 1yi2 n TYR 9 Cb 0.47 0.00 0.91 0.00 -0.02 0.00 0.00 39.34 40.70 1yi2 n TYR 9 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1yi2 h ARG 10 N 0.00 0.00 -6.90 -0.72 0.11 -0.57 -3.42 114.38 102.89 1yi2 h ARG 10 Ca 0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 1yi2 h ARG 10 Cb 0.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 1yi2 h ARG 10 CO 0.00 0.02 0.18 -0.51 0.10 0.00 0.00 179.97 179.75 1yi2 s ASP 11 N -5.54 6.62 -0.57 0.08 1.01 -1.26 -1.25 116.67 115.75 1yi2 s ASP 11 Ca -0.02 1.28 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1yi2 s ASP 11 Cb 0.11 -2.38 0.42 0.00 1.01 0.00 0.00 42.92 42.08 1yi2 s ASP 11 CO 0.50 -0.40 1.64 -0.38 0.21 0.00 0.00 175.17 176.74 1yi2 n ILE 12 N -1.13 3.10 1.35 0.77 5.41 -1.26 -4.67 119.36 122.92 1yi2 n ILE 12 Ca 0.04 -3.96 0.13 0.00 1.00 0.00 0.00 62.75 59.95 1yi2 n ILE 12 Cb 0.54 -1.19 0.44 0.00 -0.71 0.00 0.00 39.64 38.71 1yi2 n ILE 12 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1yi2 n ASP 13 N -0.69 1.76 -4.80 4.38 5.75 -1.26 -4.92 116.55 116.76 1yi2 n ASP 13 Ca 0.51 -1.61 -0.22 0.00 -0.01 0.00 0.00 54.79 53.45 1yi2 n ASP 13 Cb 0.64 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.65 1yi2 n ASP 13 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1yi2 s LYS 14 N -1.94 2.86 0.81 0.11 1.02 -1.26 -5.09 119.74 116.26 1yi2 s LYS 14 Ca 0.36 -1.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 1yi2 s LYS 14 Cb 0.20 -2.53 0.07 0.00 -0.52 0.00 0.00 37.83 35.05 1yi2 s LYS 14 CO 0.31 0.41 1.08 -2.30 -0.92 0.00 0.00 175.35 173.93 1yi2 n PRO 15 N -1.05 0.14 -2.09 -1.68 -0.02 -1.26 -4.89 135.00 124.14 1yi2 n PRO 15 Ca -0.08 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1yi2 n PRO 15 Cb 0.58 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1yi2 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yi2 s ALA 16 N -2.14 3.57 -0.46 3.55 0.00 -1.26 -4.95 121.76 120.08 1yi2 s ALA 16 Ca 0.71 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1yi2 s ALA 16 Cb -0.29 -3.52 0.15 0.00 0.00 0.00 0.00 23.12 19.46 1yi2 s ALA 16 CO 0.53 -0.66 0.31 -0.47 0.00 0.00 0.00 175.76 175.47 1yi2 s TYR 17 N -0.19 1.71 0.00 0.00 5.04 -1.26 -4.92 117.35 117.72 1yi2 s TYR 17 Ca 0.56 -2.40 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 1yi2 s TYR 17 Cb -0.40 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1yi2 s TYR 17 CO 0.44 -0.77 0.00 0.25 -1.34 0.00 0.00 175.55 174.13 1yi2 n THR 18 N 3.13 0.00 -1.78 4.34 -2.24 -1.26 -1.08 114.28 115.39 1yi2 n THR 18 Ca 0.18 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1yi2 n THR 18 Cb 0.40 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 1yi2 n THR 18 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1yi2 s ARG 19 N -0.53 2.06 0.23 -0.78 1.81 -1.26 -4.81 118.95 115.68 1yi2 s ARG 19 Ca 0.00 0.26 0.18 0.00 -1.72 0.00 0.00 55.73 54.45 1yi2 s ARG 19 Cb 0.00 -4.86 0.90 0.00 -0.45 0.00 0.00 34.95 30.55 1yi2 s ARG 19 CO 0.00 -3.86 1.55 0.54 -0.68 0.00 0.00 175.30 172.85 1yi2 n ARG 20 N 8.87 0.12 0.00 3.54 1.74 -1.26 -0.99 116.66 128.68 1yi2 n ARG 20 Ca 0.42 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 58.17 1yi2 n ARG 20 Cb 0.46 -1.84 0.67 0.00 -1.02 0.00 0.00 32.46 30.73 1yi2 n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1yi2 n GLU 21 N -2.08 0.38 0.00 5.56 0.00 -1.26 -3.17 120.64 120.07 1yi2 n GLU 21 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1yi2 n GLU 21 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1yi2 n GLU 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1yi2 n TYR 22 N -1.28 0.00 -5.12 -1.84 4.02 -0.16 -5.03 117.16 107.74 1yi2 n TYR 22 Ca 0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.71 1yi2 n TYR 22 Cb 0.21 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.36 1yi2 n TYR 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1yi2 s ILE 23 N -0.21 1.90 0.17 -0.72 1.01 -0.96 -5.09 121.20 117.30 1yi2 s ILE 23 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.78 1yi2 s ILE 23 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1yi2 s ILE 23 CO 0.00 0.53 -0.14 0.42 0.00 0.00 0.00 174.94 175.75 1yi2 s THR 24 N 0.28 1.56 -0.39 2.92 -4.23 -1.26 -4.67 115.64 109.85 1yi2 s THR 24 Ca -0.15 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1yi2 s THR 24 Cb -0.17 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1yi2 s THR 24 CO 0.07 -0.56 0.17 0.61 -0.54 0.00 0.00 174.62 174.36 1yi2 n GLY 25 N -0.11 0.39 3.66 3.99 0.00 -1.26 -4.85 105.19 107.01 1yi2 n GLY 25 Ca -0.10 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1yi2 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yi2 s ILE 26 N -2.72 4.83 0.50 -0.61 1.01 -1.26 -4.81 121.20 118.14 1yi2 s ILE 26 Ca 0.08 1.67 -0.22 0.00 0.00 0.00 0.00 60.65 62.18 1yi2 s ILE 26 Cb -0.04 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 1yi2 s ILE 26 CO 0.10 -0.04 1.14 -2.65 0.00 0.00 0.00 174.94 173.49 1yi2 n PRO 27 N 5.66 1.45 -1.46 2.79 -0.02 -1.26 -4.96 135.00 137.19 1yi2 n PRO 27 Ca 0.06 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1yi2 n PRO 27 Cb 0.48 -2.28 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1yi2 n PRO 27 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1yi2 s GLY 28 N -0.86 1.95 0.08 -1.23 0.00 -1.26 -4.83 107.32 101.16 1yi2 s GLY 28 Ca 0.68 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.56 1yi2 s GLY 28 CO 0.53 0.82 0.98 -0.45 0.00 0.00 0.00 173.10 174.98 1yi2 s SER 29 N -2.87 7.43 0.00 1.64 0.15 -1.26 -4.93 113.70 113.86 1yi2 s SER 29 Ca 0.65 1.77 0.29 0.00 0.70 0.00 0.00 55.95 59.37 1yi2 s SER 29 Cb -0.20 -2.58 1.36 0.00 -1.71 0.00 0.00 66.02 62.89 1yi2 s SER 29 CO 0.49 -0.15 1.98 0.29 1.20 0.00 0.00 173.24 177.05 1yi2 n LYS 30 N 3.14 0.19 -1.93 5.44 5.02 -1.26 -4.77 118.16 123.99 1yi2 n LYS 30 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1yi2 n LYS 30 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1yi2 n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yi2 s ILE 31 N -2.81 3.43 0.04 -0.18 1.01 -1.26 -4.86 121.20 116.56 1yi2 s ILE 31 Ca 0.20 0.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1yi2 s ILE 31 Cb 0.19 -3.46 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 1yi2 s ILE 31 CO 0.50 -0.22 1.47 0.00 0.00 0.00 0.00 174.94 176.69 1yi2 h ALA 32 N 11.95 -0.28 -2.60 9.38 0.00 -1.94 -3.47 119.26 132.31 1yi2 h ALA 32 Ca -0.37 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1yi2 h ALA 32 Cb 1.18 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 1yi2 h ALA 32 CO 0.99 -0.55 -0.24 -0.65 0.00 0.00 0.00 179.25 178.79 1yi2 s GLN 33 N -5.31 0.91 -0.09 0.00 -0.21 -1.26 -5.06 119.66 108.65 1yi2 s GLN 33 Ca -0.15 -0.78 0.13 0.00 0.02 0.00 0.00 55.36 54.58 1yi2 s GLN 33 Cb 0.04 0.39 -0.19 0.00 1.00 0.00 0.00 33.01 34.24 1yi2 s GLN 33 CO 0.62 -0.32 0.15 0.72 -2.12 0.00 0.00 175.29 174.34 1yi2 n HIS 34 N 0.01 0.00 -4.14 0.91 8.25 -1.26 -4.91 115.22 114.08 1yi2 n HIS 34 Ca -0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.96 1yi2 n HIS 34 Cb 0.62 -0.53 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1yi2 n HIS 34 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1yi2 s LYS 35 N -2.59 3.22 0.40 -0.41 1.02 -1.26 -1.20 119.74 118.93 1yi2 s LYS 35 Ca -0.06 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1yi2 s LYS 35 Cb 0.06 -2.77 -0.07 0.00 -0.52 0.00 0.00 37.83 34.53 1yi2 s LYS 35 CO 0.57 -0.14 0.03 -1.64 -0.92 0.00 0.00 175.35 173.25 1yi2 s MET 36 N 1.23 1.90 4.48 1.68 -1.94 -0.61 -4.94 119.30 121.11 1yi2 s MET 36 Ca 0.03 -2.09 0.00 0.00 -1.71 0.00 0.00 55.69 51.91 1yi2 s MET 36 Cb -0.14 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.30 1yi2 s MET 36 CO -0.05 -0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1yi2 n GLY 37 N -0.93 0.41 3.25 -0.03 0.00 -1.26 -2.49 105.19 104.15 1yi2 n GLY 37 Ca -0.06 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1yi2 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yi2 s ARG 38 N 0.00 3.42 0.06 1.61 0.52 -0.11 -4.89 118.95 119.56 1yi2 s ARG 38 Ca 0.00 -2.70 0.17 0.00 -0.52 0.00 0.00 55.73 52.69 1yi2 s ARG 38 Cb 0.00 -4.23 0.74 0.00 0.52 0.00 0.00 34.95 31.98 1yi2 s ARG 38 CO 0.00 -1.25 1.55 0.36 0.02 0.00 0.00 175.30 175.98 1yi2 n LYS 39 N 3.46 0.05 0.22 3.54 2.85 -1.26 -2.13 118.16 124.88 1yi2 n LYS 39 Ca 0.15 0.28 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 1yi2 n LYS 39 Cb 0.42 -1.59 0.29 0.00 -0.65 0.00 0.00 35.03 33.50 1yi2 n LYS 39 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1yi2 h GLN 40 N 0.00 0.00 -6.75 -1.58 4.20 -1.97 -3.45 115.11 105.56 1yi2 h GLN 40 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1yi2 h GLN 40 Cb 0.30 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.11 1yi2 h GLN 40 CO 0.00 0.00 -0.05 0.21 -0.67 0.00 0.00 178.83 178.32 1yi2 s LYS 41 N -3.28 3.18 0.17 1.46 2.20 -0.91 -5.10 119.74 117.47 1yi2 s LYS 41 Ca 0.06 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1yi2 s LYS 41 Cb 0.06 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1yi2 s LYS 41 CO 0.64 -0.24 0.35 -0.51 -0.36 0.00 0.00 175.35 175.22 1yi2 s ASP 42 N -4.18 6.38 0.26 1.43 1.01 -1.26 -4.97 116.67 115.33 1yi2 s ASP 42 Ca 0.47 0.35 0.23 0.00 0.71 0.00 0.00 52.55 54.31 1yi2 s ASP 42 Cb -0.10 -1.99 0.99 0.00 1.01 0.00 0.00 42.92 42.84 1yi2 s ASP 42 CO 0.39 0.01 1.70 0.00 0.21 0.00 0.00 175.17 177.48 1yi2 n ALA 43 N -0.49 1.60 0.15 5.23 0.00 -1.26 -1.94 120.51 123.80 1yi2 n ALA 43 Ca -0.05 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.54 1yi2 n ALA 43 Cb 0.53 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1yi2 n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yi2 h ASP 44 N 0.00 0.00 0.00 0.00 3.32 -2.01 -3.23 116.42 114.50 1yi2 h ASP 44 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yi2 h ASP 44 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1yi2 h ASP 44 CO 0.00 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.31 1yi2 n ASP 45 N -3.13 0.00 -4.36 6.45 8.00 -0.82 -4.75 116.55 117.94 1yi2 n ASP 45 Ca 0.02 -1.23 -0.31 0.00 0.71 0.00 0.00 54.79 53.97 1yi2 n ASP 45 Cb 0.67 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.62 1yi2 n ASP 45 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1yi2 s TYR 46 N -2.00 2.41 0.07 1.24 1.51 -1.22 -5.04 117.35 114.32 1yi2 s TYR 46 Ca 0.09 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.65 1yi2 s TYR 46 Cb 0.04 -1.48 -0.26 0.00 -0.11 0.00 0.00 41.96 40.14 1yi2 s TYR 46 CO 0.07 0.08 1.14 -1.35 -1.11 0.00 0.00 175.55 174.37 1yi2 h PRO 47 N 5.14 0.60 -5.45 -1.71 0.11 -1.86 -3.46 132.00 125.39 1yi2 h PRO 47 Ca -0.45 -0.77 -0.64 0.00 0.11 0.00 0.00 66.00 64.25 1yi2 h PRO 47 Cb 1.14 0.25 -0.17 0.00 0.11 0.00 0.00 31.00 32.32 1yi2 h PRO 47 CO 0.47 1.34 -0.60 0.08 -0.21 0.00 0.00 178.00 179.08 1yi2 s VAL 48 N -3.05 4.48 -0.13 3.15 1.01 -0.76 -4.26 120.40 120.84 1yi2 s VAL 48 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1yi2 s VAL 48 Cb 0.06 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1yi2 s VAL 48 CO 0.92 0.51 -0.02 -1.58 0.00 0.00 0.00 175.10 174.93 1yi2 s GLN 49 N 0.04 1.07 -0.09 2.72 0.74 -0.95 -1.13 119.66 122.06 1yi2 s GLN 49 Ca 0.04 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.20 1yi2 s GLN 49 Cb -0.13 -1.66 0.01 0.00 1.10 0.00 0.00 33.01 32.33 1yi2 s GLN 49 CO 0.01 -0.41 -0.17 0.42 -0.55 0.00 0.00 175.29 174.60 1yi2 s ILE 50 N 1.79 1.55 0.17 -2.34 1.01 -0.33 0.38 121.20 123.43 1yi2 s ILE 50 Ca 0.02 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1yi2 s ILE 50 Cb -0.14 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1yi2 s ILE 50 CO -0.07 0.45 -0.11 -0.44 0.00 0.00 0.00 174.94 174.76 1yi2 s SER 51 N 0.63 4.16 -0.26 3.58 0.01 -0.02 -0.07 113.70 121.73 1yi2 s SER 51 Ca -0.14 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.43 1yi2 s SER 51 Cb -0.16 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 1yi2 s SER 51 CO 0.04 0.12 0.16 -0.22 0.41 0.00 0.00 173.24 173.74 1yi2 s LEU 52 N -2.72 3.91 -0.18 2.44 2.96 0.14 -1.15 118.68 124.09 1yi2 s LEU 52 Ca 0.24 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1yi2 s LEU 52 Cb -0.09 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1yi2 s LEU 52 CO 0.14 -0.02 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.49 1yi2 s ILE 53 N 1.57 3.82 0.06 6.68 1.01 0.28 -1.24 121.20 133.38 1yi2 s ILE 53 Ca 0.07 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 1yi2 s ILE 53 Cb -0.15 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1yi2 s ILE 53 CO 0.08 0.46 1.19 -0.69 0.00 0.00 0.00 174.94 175.98 1yi2 s VAL 54 N 0.70 4.08 -2.45 2.92 1.01 -0.77 -0.58 120.40 125.31 1yi2 s VAL 54 Ca -0.02 1.50 0.27 0.00 0.00 0.00 0.00 61.98 63.73 1yi2 s VAL 54 Cb -0.14 -3.96 0.46 0.00 0.00 0.00 0.00 36.38 32.73 1yi2 s VAL 54 CO 0.02 0.12 1.65 -0.62 0.00 0.00 0.00 175.10 176.26 1yi2 n GLU 55 N 3.94 1.63 -3.91 2.72 1.02 -0.58 0.13 120.64 125.58 1yi2 n GLU 55 Ca 0.09 -1.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.10 1yi2 n GLU 55 Cb 0.47 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1yi2 n GLU 55 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1yi2 s GLU 56 N -2.08 0.43 -0.16 3.49 2.02 -1.26 -4.67 118.70 116.47 1yi2 s GLU 56 Ca 0.34 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 1yi2 s GLU 56 Cb 0.21 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.60 1yi2 s GLU 56 CO 0.36 -0.10 1.09 0.99 0.02 0.00 0.00 175.26 177.62 1yi2 s THR 57 N -1.45 4.59 0.21 3.63 2.01 -1.26 -3.76 115.64 119.62 1yi2 s THR 57 Ca -0.15 1.89 -0.02 0.00 0.31 0.00 0.00 61.69 63.72 1yi2 s THR 57 Cb -0.08 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1yi2 s THR 57 CO 0.01 -0.09 0.32 1.33 -0.69 0.00 0.00 174.62 175.49 1yi2 n VAL 58 N 5.00 0.00 -4.57 3.82 0.24 -0.17 -4.81 118.33 117.84 1yi2 n VAL 58 Ca 0.11 -0.98 -0.32 0.00 -2.04 0.00 0.00 64.34 61.11 1yi2 n VAL 58 Cb 0.47 0.64 -0.17 0.00 -1.47 0.00 0.00 33.84 33.31 1yi2 n VAL 58 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yi2 s GLN 59 N -2.41 2.83 -0.26 7.34 -0.21 -0.38 -1.06 119.66 125.51 1yi2 s GLN 59 Ca 0.16 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 54.72 1yi2 s GLN 59 Cb -0.01 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.70 1yi2 s GLN 59 CO 0.12 -0.04 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.72 1yi2 s LEU 60 N 0.90 3.32 0.45 2.90 1.43 -0.01 -4.31 118.68 123.36 1yi2 s LEU 60 Ca -0.06 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 1yi2 s LEU 60 Cb -0.15 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1yi2 s LEU 60 CO -0.03 -0.12 1.25 -0.13 0.23 0.00 0.00 176.35 177.55 1yi2 s ARG 61 N 1.41 3.73 0.61 1.70 0.52 -1.26 -0.24 118.95 125.41 1yi2 s ARG 61 Ca 0.02 2.00 0.28 0.00 -0.52 0.00 0.00 55.73 57.50 1yi2 s ARG 61 Cb -0.16 -2.51 1.38 0.00 0.52 0.00 0.00 34.95 34.17 1yi2 s ARG 61 CO -0.02 -0.64 1.79 1.12 0.02 0.00 0.00 175.30 177.56 1yi2 h HIS 62 N 2.18 0.00 -0.42 -0.53 2.07 -1.73 0.34 115.15 117.06 1yi2 h HIS 62 Ca -0.50 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.94 1yi2 h HIS 62 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 1yi2 h HIS 62 CO 0.52 0.00 -0.07 0.78 -3.07 0.00 0.00 177.93 176.08 1yi2 h GLY 63 N 0.00 0.78 0.57 6.13 0.00 -1.89 -1.91 103.07 106.75 1yi2 h GLY 63 Ca 0.21 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1yi2 h GLY 63 CO -0.00 0.51 -0.44 1.76 0.00 0.00 0.00 176.54 178.37 1yi2 h SER 64 N 0.67 0.35 -0.58 0.19 0.02 -0.65 -1.52 113.55 112.02 1yi2 h SER 64 Ca 0.12 -0.82 0.11 0.00 -0.84 0.00 0.00 61.79 60.37 1yi2 h SER 64 Cb 0.52 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 1yi2 h SER 64 CO 0.03 1.12 0.10 -0.07 -1.14 0.00 0.00 176.83 176.87 1yi2 h LEU 65 N -0.38 -0.05 -0.25 5.07 -0.00 -1.43 0.30 115.31 118.56 1yi2 h LEU 65 Ca -0.06 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1yi2 h LEU 65 Cb 1.21 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 1yi2 h LEU 65 CO 0.09 -0.01 0.08 -0.08 -0.00 0.00 0.00 178.44 178.51 1yi2 h GLU 66 N 0.23 0.40 -0.34 1.13 4.57 -1.37 0.27 114.58 119.46 1yi2 h GLU 66 Ca 0.31 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1yi2 h GLU 66 Cb 0.46 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1yi2 h GLU 66 CO -0.41 0.47 0.14 0.00 -1.18 0.00 0.00 179.01 178.03 1yi2 h ALA 67 N 0.91 0.44 -0.19 2.92 0.00 -0.41 0.21 119.26 123.13 1yi2 h ALA 67 Ca 0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1yi2 h ALA 67 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yi2 h ALA 67 CO -0.00 0.03 -0.46 0.66 0.00 0.00 0.00 179.25 179.47 1yi2 h SER 68 N 0.40 0.74 -0.50 0.00 4.64 -0.40 -1.09 113.55 117.34 1yi2 h SER 68 Ca 0.11 -0.57 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1yi2 h SER 68 Cb 0.16 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1yi2 h SER 68 CO -0.01 1.17 0.27 -0.09 -0.87 0.00 0.00 176.83 177.31 1yi2 h ARG 69 N 0.33 0.70 0.71 4.77 2.43 -0.41 -2.05 114.38 120.87 1yi2 h ARG 69 Ca -0.00 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1yi2 h ARG 69 Cb 1.08 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1yi2 h ARG 69 CO 0.10 0.55 -0.42 1.25 -1.51 0.00 0.00 179.97 179.95 1yi2 h LEU 70 N 0.67 -1.04 -2.14 3.80 5.85 -0.52 -1.44 115.31 120.49 1yi2 h LEU 70 Ca 0.18 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1yi2 h LEU 70 Cb 0.05 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1yi2 h LEU 70 CO -0.03 -0.66 0.05 0.77 -0.34 0.00 0.00 178.44 178.24 1yi2 h SER 71 N -1.06 0.00 0.00 1.25 4.64 -1.08 0.19 113.55 117.49 1yi2 h SER 71 Ca -0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 1yi2 h SER 71 Cb 0.84 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1yi2 h SER 71 CO 0.11 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.52 1yi2 h ALA 72 N 1.88 0.08 -0.21 5.18 0.00 -0.89 -3.27 119.26 122.03 1yi2 h ALA 72 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1yi2 h ALA 72 Cb 0.11 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yi2 h ALA 72 CO 0.00 0.38 -0.06 -0.97 0.00 0.00 0.00 179.25 178.60 1yi2 h ASN 73 N -1.00 0.30 -0.06 0.00 -0.00 -0.99 -1.30 115.58 112.52 1yi2 h ASN 73 Ca -0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.13 1yi2 h ASN 73 Cb 0.73 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.96 1yi2 h ASN 73 CO -0.06 0.40 0.02 -0.09 -0.00 0.00 0.00 177.43 177.70 1yi2 h ARG 74 N 0.31 0.14 0.15 6.67 2.43 -0.79 -0.05 114.38 123.24 1yi2 h ARG 74 Ca 0.07 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.96 1yi2 h ARG 74 Cb 0.31 -0.03 0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1yi2 h ARG 74 CO 0.01 0.15 -1.11 1.25 -1.51 0.00 0.00 179.97 178.76 1yi2 h HIS 75 N 0.14 0.83 -0.28 2.20 2.76 -1.31 -2.84 115.15 116.66 1yi2 h HIS 75 Ca 0.04 -0.56 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1yi2 h HIS 75 Cb 0.08 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1yi2 h HIS 75 CO 0.00 1.41 0.18 -0.07 -1.30 0.00 0.00 177.93 178.16 1yi2 h LEU 76 N 0.01 0.33 -0.81 0.26 3.38 -0.87 -0.87 115.31 116.73 1yi2 h LEU 76 Ca -0.18 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1yi2 h LEU 76 Cb 1.83 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.43 1yi2 h LEU 76 CO 0.21 0.25 0.46 0.40 0.09 0.00 0.00 178.44 179.86 1yi2 h ILE 77 N 0.37 0.91 0.00 1.22 2.04 -1.10 0.83 117.51 121.77 1yi2 h ILE 77 Ca 0.10 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1yi2 h ILE 77 Cb -0.02 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1yi2 h ILE 77 CO -0.02 0.14 -0.13 0.50 0.00 0.00 0.00 178.15 178.64 1yi2 h LYS 78 N 0.78 0.00 0.00 2.37 3.64 -1.14 0.27 116.57 122.49 1yi2 h LYS 78 Ca 0.39 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1yi2 h LYS 78 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1yi2 h LYS 78 CO -0.25 0.13 -1.70 0.39 -2.27 0.00 0.00 179.45 175.76 1yi2 n GLU 79 N -3.26 0.67 -0.00 1.90 -0.58 -0.39 -4.55 120.64 114.42 1yi2 n GLU 79 Ca 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1yi2 n GLU 79 Cb 0.40 -1.34 0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1yi2 n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1yi2 n LEU 80 N -2.08 1.35 0.00 -4.62 4.77 0.28 -5.08 117.00 111.62 1yi2 n LEU 80 Ca -0.06 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1yi2 n LEU 80 Cb 0.47 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1yi2 n LEU 80 CO 0.30 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1yi2 n GLY 81 N -0.08 -2.34 0.00 -0.72 0.00 0.95 -1.99 105.19 101.01 1yi2 n GLY 81 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1yi2 n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yi2 n GLU 82 N -1.43 0.00 -1.83 1.61 1.02 -1.22 -1.20 120.64 117.59 1yi2 n GLU 82 Ca 0.00 0.20 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1yi2 n GLU 82 Cb 0.00 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1yi2 n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yi2 n GLU 83 N -1.14 0.52 -0.62 3.49 1.02 -1.26 -5.02 120.64 117.63 1yi2 n GLU 83 Ca 0.00 -2.15 -0.31 0.00 -0.02 0.00 0.00 57.16 54.69 1yi2 n GLU 83 Cb 0.08 -0.28 0.19 0.00 -0.02 0.00 0.00 31.44 31.42 1yi2 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yi2 n GLY 84 N 0.01 -1.48 3.41 0.62 0.00 -0.34 -4.86 105.19 102.55 1yi2 n GLY 84 Ca -0.01 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1yi2 n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yi2 n ASP 85 N -3.71 5.02 -3.67 1.61 2.03 -1.26 -4.61 116.55 111.96 1yi2 n ASP 85 Ca 0.07 -2.96 -0.09 0.00 0.52 0.00 0.00 54.79 52.32 1yi2 n ASP 85 Cb 0.54 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.28 1yi2 n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1yi2 s TYR 86 N 2.57 -0.31 -0.18 -0.67 -0.85 -1.26 -4.30 117.35 112.34 1yi2 s TYR 86 Ca 0.47 -0.03 -0.07 0.00 -0.52 0.00 0.00 57.07 56.92 1yi2 s TYR 86 Cb 0.02 0.60 0.08 0.00 0.38 0.00 0.00 41.96 43.04 1yi2 s TYR 86 CO 0.03 -1.04 0.39 -1.59 -1.52 0.00 0.00 175.55 171.82 1yi2 s LYS 87 N -3.85 0.30 0.05 -3.49 -2.85 -0.79 -0.94 119.74 108.17 1yi2 s LYS 87 Ca 0.07 0.96 0.06 0.00 -1.00 0.00 0.00 55.97 56.06 1yi2 s LYS 87 Cb -0.03 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 1yi2 s LYS 87 CO -0.02 -0.25 -0.11 1.41 0.10 0.00 0.00 175.35 176.48 1yi2 s MET 88 N 2.44 2.28 -0.03 1.78 1.75 -1.04 -0.37 119.30 126.12 1yi2 s MET 88 Ca -0.02 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 53.56 1yi2 s MET 88 Cb -0.12 -2.35 -0.00 0.00 2.84 0.00 0.00 34.83 35.20 1yi2 s MET 88 CO -0.12 0.55 -0.12 0.99 -0.65 0.00 0.00 175.02 175.67 1yi2 s THR 89 N -1.05 1.00 -0.48 10.11 2.01 0.17 -1.57 115.64 125.84 1yi2 s THR 89 Ca 0.18 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1yi2 s THR 89 Cb -0.11 -0.87 0.10 0.00 0.01 0.00 0.00 72.50 71.63 1yi2 s THR 89 CO 0.09 0.30 0.38 -0.22 -0.69 0.00 0.00 174.62 174.48 1yi2 s LEU 90 N 0.09 5.68 0.28 4.42 2.96 -0.34 -1.19 118.68 130.58 1yi2 s LEU 90 Ca -0.02 -1.65 0.25 0.00 -0.22 0.00 0.00 54.13 52.50 1yi2 s LEU 90 Cb -0.09 -2.10 0.73 0.00 0.50 0.00 0.00 46.19 45.23 1yi2 s LEU 90 CO 0.01 -0.69 1.74 0.08 -1.32 0.00 0.00 176.35 176.17 1yi2 h ARG 91 N 8.63 0.00 -6.01 1.98 0.11 -1.72 -3.46 114.38 113.91 1yi2 h ARG 91 Ca -0.26 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.22 1yi2 h ARG 91 Cb 1.09 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.13 1yi2 h ARG 91 CO 0.89 0.00 -0.38 0.15 0.10 0.00 0.00 179.97 180.73 1yi2 s LYS 92 N -3.16 3.57 0.04 0.08 -0.14 -1.26 -5.11 119.74 113.77 1yi2 s LYS 92 Ca 0.09 -0.15 0.08 0.00 -1.36 0.00 0.00 55.97 54.63 1yi2 s LYS 92 Cb 0.10 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1yi2 s LYS 92 CO 0.60 0.57 -0.23 -0.06 -0.76 0.00 0.00 175.35 175.47 1yi2 s PHE 93 N -1.48 2.04 -1.27 3.18 0.40 -1.26 -5.06 117.98 114.54 1yi2 s PHE 93 Ca 0.34 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.10 1yi2 s PHE 93 Cb -0.13 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.19 1yi2 s PHE 93 CO 0.22 0.11 1.92 -0.35 0.70 0.00 0.00 175.22 177.81 1yi2 n PRO 94 N 1.82 2.65 0.07 0.24 -0.04 -1.26 -4.44 135.00 134.04 1yi2 n PRO 94 Ca -0.17 -2.82 -0.09 0.00 -0.04 0.00 0.00 63.50 60.38 1yi2 n PRO 94 Cb 0.53 -3.43 -0.11 0.00 -0.04 0.00 0.00 33.50 30.44 1yi2 n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yi2 h HIS 95 N 7.58 0.10 -2.77 0.54 3.86 -1.89 -3.37 115.15 119.21 1yi2 h HIS 95 Ca 0.44 -0.07 -0.56 0.00 -1.16 0.00 0.00 60.37 59.01 1yi2 h HIS 95 Cb 0.80 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1yi2 h HIS 95 CO 1.38 1.05 1.01 -1.14 0.86 0.00 0.00 177.93 181.08 1yi2 s GLN 96 N -2.73 4.16 0.23 2.45 2.00 -0.69 -4.49 119.66 120.59 1yi2 s GLN 96 Ca -0.00 1.88 -0.25 0.00 -2.00 0.00 0.00 55.36 55.00 1yi2 s GLN 96 Cb 0.09 -3.89 -0.09 0.00 0.80 0.00 0.00 33.01 29.93 1yi2 s GLN 96 CO 0.83 -0.83 0.83 0.08 -0.50 0.00 0.00 175.29 175.69 1yi2 s VAL 97 N 3.92 4.34 -0.08 1.34 1.01 -0.24 -0.65 120.40 130.04 1yi2 s VAL 97 Ca 0.65 1.69 0.02 0.00 0.00 0.00 0.00 61.98 64.33 1yi2 s VAL 97 Cb -0.27 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1yi2 s VAL 97 CO 0.23 0.35 -0.13 -0.76 0.00 0.00 0.00 175.10 174.79 1yi2 s LEU 98 N -1.57 2.77 0.46 3.92 1.43 0.10 -4.83 118.68 120.97 1yi2 s LEU 98 Ca 0.42 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1yi2 s LEU 98 Cb -0.21 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1yi2 s LEU 98 CO 0.25 0.29 0.34 -0.13 0.23 0.00 0.00 176.35 177.33 1yi2 s ARG 99 N -0.38 2.37 -0.29 1.70 0.52 -1.26 -0.88 118.95 120.74 1yi2 s ARG 99 Ca 0.04 -1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 53.35 1yi2 s ARG 99 Cb -0.12 -2.20 0.10 0.00 0.52 0.00 0.00 34.95 33.25 1yi2 s ARG 99 CO 0.02 -0.32 0.68 -2.00 0.02 0.00 0.00 175.30 173.70 1yi2 s GLU 100 N -4.13 0.66 -1.22 3.54 2.12 -0.45 -4.82 118.70 114.40 1yi2 s GLU 100 Ca 0.42 1.32 -0.16 0.00 0.36 0.00 0.00 54.97 56.91 1yi2 s GLU 100 Cb -0.01 0.43 0.13 0.00 0.26 0.00 0.00 34.13 34.94 1yi2 s GLU 100 CO 0.25 -0.17 1.53 1.21 -0.54 0.00 0.00 175.26 177.54 1yi2 s ASN 101 N 2.13 6.95 -0.94 -1.70 2.47 -1.26 -1.03 114.94 121.57 1yi2 s ASN 101 Ca -0.08 -2.71 -0.01 0.00 0.42 0.00 0.00 52.86 50.48 1yi2 s ASN 101 Cb -0.08 -2.47 0.30 0.00 -1.45 0.00 0.00 41.25 37.56 1yi2 s ASN 101 CO -0.20 -0.93 1.36 2.29 -3.72 0.00 0.00 177.10 175.90 1yi2 n LYS 102 N 6.76 4.19 0.00 0.43 2.85 -1.26 -5.03 118.16 126.09 1yi2 n LYS 102 Ca 0.40 -4.63 0.00 0.00 -1.05 0.00 0.00 58.31 53.03 1yi2 n LYS 102 Cb 0.44 -2.43 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1yi2 n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yi2 n ASP 114 N 0.80 -1.13 0.00 -5.58 -0.08 -1.26 -4.97 116.55 104.32 1yi2 n ASP 114 Ca 0.32 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1yi2 n ASP 114 Cb 0.34 0.78 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1yi2 n ASP 114 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yi2 n GLY 115 N -0.07 0.19 0.82 0.27 0.00 -1.26 -4.91 105.19 100.22 1yi2 n GLY 115 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1yi2 n GLY 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yi2 n MET 116 N 0.00 1.82 -2.44 1.61 2.81 -1.26 -4.80 117.12 114.86 1yi2 n MET 116 Ca 0.00 -1.73 -0.41 0.00 -1.81 0.00 0.00 57.70 53.75 1yi2 n MET 116 Cb 0.00 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 1yi2 n MET 116 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1yi2 s ARG 117 N -1.64 4.51 -1.20 0.03 3.52 -1.26 -3.39 118.95 119.52 1yi2 s ARG 117 Ca 0.24 1.78 -0.27 0.00 -0.13 0.00 0.00 55.73 57.35 1yi2 s ARG 117 Cb 0.17 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1yi2 s ARG 117 CO 0.25 -0.08 0.70 0.00 -0.81 0.00 0.00 175.30 175.36 1yi2 n ALA 118 N 2.93 -2.55 1.33 6.12 0.00 -1.26 -4.86 120.51 122.21 1yi2 n ALA 118 Ca 0.05 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.20 1yi2 n ALA 118 Cb 0.46 -3.19 0.54 0.00 0.00 0.00 0.00 19.45 17.26 1yi2 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yi2 n ALA 119 N -4.66 2.85 -1.56 0.00 0.00 -1.22 -4.88 120.51 111.04 1yi2 n ALA 119 Ca -0.11 -0.29 -0.49 0.00 0.00 0.00 0.00 53.44 52.54 1yi2 n ALA 119 Cb 0.58 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1yi2 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yi2 n PHE 120 N -0.95 1.91 -0.60 0.00 7.35 -1.26 -4.54 117.46 119.36 1yi2 n PHE 120 Ca 0.13 0.14 -0.30 0.00 -0.76 0.00 0.00 57.45 56.66 1yi2 n PHE 120 Cb 0.30 -2.60 0.21 0.00 0.35 0.00 0.00 39.48 37.73 1yi2 n PHE 120 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1yi2 s GLY 121 N 6.33 1.63 0.33 7.13 0.00 -1.26 -4.88 107.32 116.59 1yi2 s GLY 121 Ca 1.02 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 46.03 1yi2 s GLY 121 CO 0.48 0.86 0.57 -1.59 0.00 0.00 0.00 173.10 173.42 1yi2 s LYS 122 N -4.55 3.56 -0.03 2.90 -2.85 -0.20 -4.57 119.74 114.00 1yi2 s LYS 122 Ca 0.68 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 55.23 1yi2 s LYS 122 Cb -0.24 -2.63 -0.05 0.00 -2.06 0.00 0.00 37.83 32.85 1yi2 s LYS 122 CO 0.61 0.15 1.36 0.42 0.10 0.00 0.00 175.35 177.99 1yi2 s ILE 123 N -2.24 3.88 0.00 3.79 1.01 -1.26 -1.34 121.20 125.04 1yi2 s ILE 123 Ca 0.43 1.22 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1yi2 s ILE 123 Cb -0.10 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1yi2 s ILE 123 CO 0.34 -0.02 0.00 1.33 0.00 0.00 0.00 174.94 176.59 1yi2 n VAL 124 N 4.77 0.00 -3.06 2.92 0.24 -0.06 -4.84 118.33 118.29 1yi2 n VAL 124 Ca 0.13 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1yi2 n VAL 124 Cb 0.44 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1yi2 n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yi2 n GLY 125 N 1.27 -1.03 3.14 7.63 0.00 -1.12 -4.84 105.19 110.25 1yi2 n GLY 125 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 1yi2 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yi2 s THR 126 N -3.00 0.18 0.13 2.61 -4.23 -1.26 0.03 115.64 110.10 1yi2 s THR 126 Ca 0.00 -1.67 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1yi2 s THR 126 Cb 0.00 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.31 1yi2 s THR 126 CO 0.00 -0.81 0.46 0.00 -0.54 0.00 0.00 174.62 173.73 1yi2 s ALA 127 N -3.93 -1.13 -0.15 3.99 0.00 0.18 -1.84 121.76 118.88 1yi2 s ALA 127 Ca 0.10 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 1yi2 s ALA 127 Cb 0.07 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1yi2 s ALA 127 CO -0.08 -0.67 0.03 0.00 0.00 0.00 0.00 175.76 175.04 1yi2 s ALA 128 N -3.71 3.31 -0.36 0.00 0.00 0.66 -1.70 121.76 119.96 1yi2 s ALA 128 Ca 0.02 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 1yi2 s ALA 128 Cb 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1yi2 s ALA 128 CO -0.12 0.31 0.57 1.03 0.00 0.00 0.00 175.76 177.55 1yi2 s ARG 129 N -0.02 3.58 -0.15 0.00 0.52 -1.26 -0.83 118.95 120.79 1yi2 s ARG 129 Ca 0.04 -0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1yi2 s ARG 129 Cb -0.13 -3.83 -0.01 0.00 0.52 0.00 0.00 34.95 31.50 1yi2 s ARG 129 CO 0.02 -0.73 -0.12 0.08 0.02 0.00 0.00 175.30 174.57 1yi2 s VAL 130 N 2.54 3.05 0.33 3.52 1.01 -0.22 -5.00 120.40 125.63 1yi2 s VAL 130 Ca 0.21 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1yi2 s VAL 130 Cb -0.15 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1yi2 s VAL 130 CO 0.14 0.50 0.79 -1.10 0.00 0.00 0.00 175.10 175.44 1yi2 s GLN 131 N 0.67 4.11 0.40 2.72 -1.52 -1.26 -1.00 119.66 123.78 1yi2 s GLN 131 Ca -0.06 0.82 -0.26 0.00 -1.95 0.00 0.00 55.36 53.91 1yi2 s GLN 131 Cb -0.15 -2.45 -0.11 0.00 -0.22 0.00 0.00 33.01 30.08 1yi2 s GLN 131 CO 0.02 0.15 1.24 0.00 -0.25 0.00 0.00 175.29 176.45 1yi2 n ALA 132 N -0.25 1.14 -0.41 6.09 0.00 -1.25 -2.15 120.51 123.67 1yi2 n ALA 132 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1yi2 n ALA 132 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1yi2 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yi2 n GLY 133 N 0.85 1.12 3.92 0.00 0.00 0.34 -4.92 105.19 106.50 1yi2 n GLY 133 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1yi2 n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yi2 s GLU 134 N -0.40 2.96 -0.31 1.61 2.02 -0.91 -4.82 118.70 118.86 1yi2 s GLU 134 Ca 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 54.97 54.86 1yi2 s GLU 134 Cb 0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.93 1yi2 s GLU 134 CO 0.00 -0.67 0.34 -0.65 0.02 0.00 0.00 175.26 174.30 1yi2 s GLN 135 N -4.98 3.78 -0.19 1.61 -0.21 -1.26 -1.84 119.66 116.58 1yi2 s GLN 135 Ca 0.54 -0.24 -0.21 0.00 0.02 0.00 0.00 55.36 55.47 1yi2 s GLN 135 Cb -0.11 -3.73 -0.21 0.00 1.00 0.00 0.00 33.01 29.96 1yi2 s GLN 135 CO 0.45 -0.39 0.31 1.25 -2.12 0.00 0.00 175.29 174.80 1yi2 h LEU 136 N 8.64 0.07 -8.69 2.90 5.85 -1.55 -3.44 115.31 119.08 1yi2 h LEU 136 Ca -0.31 -0.62 -0.64 0.00 0.84 0.00 0.00 57.88 57.14 1yi2 h LEU 136 Cb 1.16 -0.02 -0.25 0.00 0.37 0.00 0.00 40.66 41.92 1yi2 h LEU 136 CO 0.65 1.48 -0.86 -0.36 -0.34 0.00 0.00 178.44 179.01 1yi2 s PHE 137 N -2.37 2.08 -0.11 1.25 0.40 -1.22 -2.15 117.98 115.86 1yi2 s PHE 137 Ca -0.27 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 1yi2 s PHE 137 Cb 0.05 -1.22 0.06 0.00 0.51 0.00 0.00 43.02 42.42 1yi2 s PHE 137 CO 0.63 0.16 0.19 0.99 0.70 0.00 0.00 175.22 177.89 1yi2 s THR 138 N -0.88 -0.30 0.16 0.64 2.01 -0.34 0.27 115.64 117.21 1yi2 s THR 138 Ca 0.10 0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.45 1yi2 s THR 138 Cb -0.10 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1yi2 s THR 138 CO 0.03 0.08 -0.11 0.00 -0.69 0.00 0.00 174.62 173.93 1yi2 s ALA 139 N 2.33 2.91 -0.07 7.40 0.00 0.89 0.43 121.76 135.65 1yi2 s ALA 139 Ca 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.59 1yi2 s ALA 139 Cb -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1yi2 s ALA 139 CO -0.07 0.51 -0.14 0.71 0.00 0.00 0.00 175.76 176.77 1yi2 s TYR 140 N -1.57 1.58 0.33 0.00 1.51 0.51 -1.18 117.35 118.52 1yi2 s TYR 140 Ca 0.23 -0.59 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1yi2 s TYR 140 Cb -0.09 -1.14 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 1yi2 s TYR 140 CO 0.14 -0.29 0.55 0.00 -1.11 0.00 0.00 175.55 174.84 1yi2 s ASN 142 N -3.15 6.86 0.48 0.00 0.01 -1.26 -1.84 114.94 116.04 1yi2 s ASN 142 Ca 0.25 1.15 0.43 0.00 -0.71 0.00 0.00 52.86 53.99 1yi2 s ASN 142 Cb -0.02 -2.32 1.52 0.00 0.41 0.00 0.00 41.25 40.85 1yi2 s ASN 142 CO 0.16 0.05 1.38 0.52 -1.51 0.00 0.00 177.10 177.70 1yi2 n VAL 143 N 0.63 -0.02 -0.05 1.60 0.31 -1.26 -0.41 118.33 119.14 1yi2 n VAL 143 Ca -0.04 1.34 -0.13 0.00 -0.01 0.00 0.00 64.34 65.50 1yi2 n VAL 143 Cb 0.52 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 1yi2 n VAL 143 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yi2 h GLU 144 N 0.00 0.32 -0.02 5.55 5.08 -1.98 -3.24 114.58 120.29 1yi2 h GLU 144 Ca 0.83 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1yi2 h GLU 144 Cb 3.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.54 1yi2 h GLU 144 CO -0.04 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 1yi2 n ASP 145 N -4.58 0.16 -0.13 1.42 8.00 0.45 -4.32 116.55 117.56 1yi2 n ASP 145 Ca -0.06 -1.63 -0.04 0.00 0.71 0.00 0.00 54.79 53.77 1yi2 n ASP 145 Cb 0.36 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1yi2 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yi2 h ALA 146 N 3.44 0.38 0.00 2.24 0.00 -1.57 -0.66 119.26 123.09 1yi2 h ALA 146 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yi2 h ALA 146 Cb 0.04 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1yi2 h ALA 146 CO 0.00 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.25 1yi2 n GLU 147 N -5.20 0.13 0.02 0.00 -0.58 -1.26 -1.48 120.64 112.27 1yi2 n GLU 147 Ca 0.03 0.45 -0.21 0.00 -0.42 0.00 0.00 57.16 57.02 1yi2 n GLU 147 Cb 0.22 -1.79 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 1yi2 n GLU 147 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1yi2 h HIS 148 N 0.00 0.48 -0.19 -0.32 3.86 -1.44 -2.91 115.15 114.64 1yi2 h HIS 148 Ca 0.00 -0.35 -0.09 0.00 -1.16 0.00 0.00 60.37 58.77 1yi2 h HIS 148 Cb 0.22 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1yi2 h HIS 148 CO 0.00 1.46 -0.28 -0.24 0.86 0.00 0.00 177.93 179.74 1yi2 h VAL 149 N -0.33 1.26 0.00 2.45 3.04 -0.97 -0.34 116.25 121.36 1yi2 h VAL 149 Ca -0.24 -1.25 -0.07 0.00 -1.01 0.00 0.00 66.70 64.12 1yi2 h VAL 149 Cb 1.72 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 1yi2 h VAL 149 CO 0.09 0.39 -0.33 0.11 -1.01 0.00 0.00 177.57 176.82 1yi2 h LYS 150 N 0.32 0.00 0.12 4.17 1.57 -1.36 -2.43 116.57 118.96 1yi2 h LYS 150 Ca 0.05 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.56 1yi2 h LYS 150 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1yi2 h LYS 150 CO 0.05 0.33 -1.23 1.49 -0.57 0.00 0.00 179.45 179.52 1yi2 h GLU 151 N 0.00 0.25 -0.80 3.15 4.57 -1.07 -2.67 114.58 118.01 1yi2 h GLU 151 Ca -0.00 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.70 1yi2 h GLU 151 Cb 0.66 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 1yi2 h GLU 151 CO 0.04 1.21 0.32 0.00 -1.18 0.00 0.00 179.01 179.40 1yi2 h ALA 152 N 0.61 1.04 -0.22 2.92 0.00 -0.82 -2.58 119.26 120.20 1yi2 h ALA 152 Ca -0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1yi2 h ALA 152 Cb 1.96 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1yi2 h ALA 152 CO 0.20 0.67 -0.42 0.74 0.00 0.00 0.00 179.25 180.44 1yi2 h PHE 153 N 1.17 0.64 0.00 0.00 0.05 -1.48 -1.15 116.94 116.17 1yi2 h PHE 153 Ca 0.27 -0.19 -0.03 0.00 3.82 0.00 0.00 57.97 61.84 1yi2 h PHE 153 Cb 0.22 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.03 1yi2 h PHE 153 CO 0.02 0.87 -0.14 -0.09 -0.18 0.00 0.00 178.31 178.79 1yi2 h ARG 154 N 0.44 0.00 0.11 1.51 2.43 -1.10 -0.79 114.38 116.98 1yi2 h ARG 154 Ca 0.03 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.91 1yi2 h ARG 154 Cb 0.92 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1yi2 h ARG 154 CO 0.08 0.14 -1.49 0.00 -1.51 0.00 0.00 179.97 177.19 1yi2 h ARG 155 N 0.00 0.23 -0.50 0.20 3.08 -1.14 -3.34 114.38 112.92 1yi2 h ARG 155 Ca -0.00 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 1yi2 h ARG 155 Cb 0.27 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1yi2 h ARG 155 CO 0.02 1.10 -0.11 0.00 -1.07 0.00 0.00 179.97 179.90 1yi2 h ALA 156 N 0.54 0.86 0.00 0.04 0.00 -0.49 -2.77 119.26 117.44 1yi2 h ALA 156 Ca -0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1yi2 h ALA 156 Cb 2.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1yi2 h ALA 156 CO 0.16 0.65 0.00 2.48 0.00 0.00 0.00 179.25 182.54 1yi2 n TYR 157 N -4.15 0.00 1.18 0.00 0.18 -0.37 -2.14 117.16 111.86 1yi2 n TYR 157 Ca 0.01 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.92 1yi2 n TYR 157 Cb 0.39 -0.05 0.31 0.00 -0.38 0.00 0.00 39.34 39.61 1yi2 n TYR 157 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1yi2 n ASN 158 N -1.05 1.05 -0.23 9.48 3.02 -1.04 -3.98 115.26 122.51 1yi2 n ASN 158 Ca 0.18 -0.87 0.05 0.00 -0.03 0.00 0.00 54.58 53.91 1yi2 n ASN 158 Cb 0.11 0.21 0.10 0.00 -0.61 0.00 0.00 39.78 39.59 1yi2 n ASN 158 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1yi2 n LYS 159 N -0.73 2.47 -4.28 3.52 5.02 -0.91 -5.00 118.16 118.26 1yi2 n LYS 159 Ca 0.11 -2.06 -0.19 0.00 -2.02 0.00 0.00 58.31 54.15 1yi2 n LYS 159 Cb 0.36 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1yi2 n LYS 159 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1yi2 s ILE 160 N -1.76 1.49 0.10 -0.18 -4.36 -1.25 -4.64 121.20 110.60 1yi2 s ILE 160 Ca 0.18 -1.86 -0.33 0.00 -0.26 0.00 0.00 60.65 58.37 1yi2 s ILE 160 Cb 0.14 -1.71 -0.14 0.00 1.25 0.00 0.00 42.46 42.01 1yi2 s ILE 160 CO 0.05 -0.45 1.58 0.74 0.24 0.00 0.00 174.94 177.10 1yi2 h THR 161 N 3.26 0.10 -3.99 8.37 2.02 -1.92 -3.46 112.91 117.28 1yi2 h THR 161 Ca -0.40 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.32 1yi2 h THR 161 Cb 1.20 0.10 0.15 0.00 -1.74 0.00 0.00 68.15 67.86 1yi2 h THR 161 CO 0.53 0.00 0.23 -2.16 0.37 0.00 0.00 175.52 174.49 1yi2 s PRO 162 N -5.89 0.80 0.40 6.66 0.04 -1.26 -5.05 135.00 130.69 1yi2 s PRO 162 Ca -0.17 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1yi2 s PRO 162 Cb 0.06 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 1yi2 s PRO 162 CO 0.62 -2.49 0.73 -1.12 0.04 0.00 0.00 177.00 174.78 1yi2 s SER 163 N -3.56 6.45 0.23 6.66 0.01 -1.26 -4.94 113.70 117.30 1yi2 s SER 163 Ca 0.64 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1yi2 s SER 163 Cb -0.18 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1yi2 s SER 163 CO 0.57 -0.39 0.13 0.00 0.41 0.00 0.00 173.24 173.95 1yi2 s ARG 165 N -4.07 2.43 -0.49 0.00 0.52 0.25 -4.92 118.95 112.67 1yi2 s ARG 165 Ca 0.38 -0.80 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 1yi2 s ARG 165 Cb 0.07 -2.25 0.09 0.00 0.52 0.00 0.00 34.95 33.38 1yi2 s ARG 165 CO 0.14 0.55 0.42 0.42 0.02 0.00 0.00 175.30 176.84 1yi2 s ILE 166 N -0.55 5.10 -0.20 1.52 1.01 -1.26 -0.56 121.20 126.26 1yi2 s ILE 166 Ca 0.08 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 1yi2 s ILE 166 Cb -0.11 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1yi2 s ILE 166 CO 0.01 -0.68 0.05 -0.75 0.00 0.00 0.00 174.94 173.57 1yi2 s LYS 167 N 1.60 3.80 -0.21 2.79 2.20 -0.30 -4.99 119.74 124.63 1yi2 s LYS 167 Ca 0.04 -0.43 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 1yi2 s LYS 167 Cb -0.26 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1yi2 s LYS 167 CO 0.05 0.09 0.41 0.08 -0.36 0.00 0.00 175.35 175.62 1yi2 s VAL 168 N 0.84 5.18 0.00 4.02 1.01 -1.26 -0.84 120.40 129.35 1yi2 s VAL 168 Ca 0.03 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1yi2 s VAL 168 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1yi2 s VAL 168 CO 0.02 0.22 0.00 -0.62 0.00 0.00 0.00 175.10 174.73 1yi2 n GLU 169 N 4.66 0.00 -1.99 2.72 -0.58 0.16 -4.72 120.64 120.89 1yi2 n GLU 169 Ca -0.08 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.41 1yi2 n GLU 169 Cb 0.51 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.32 1yi2 n GLU 169 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1yi2 s ARG 170 N 0.60 2.36 -0.18 3.49 0.52 -1.25 -4.77 118.95 119.72 1yi2 s ARG 170 Ca 0.00 -0.64 -0.26 0.00 -0.52 0.00 0.00 55.73 54.31 1yi2 s ARG 170 Cb 0.00 -5.12 0.07 0.00 0.52 0.00 0.00 34.95 30.42 1yi2 s ARG 170 CO 0.00 -3.89 0.67 0.20 0.02 0.00 0.00 175.30 172.31 1yi2 s GLY 171 N 7.57 -0.52 0.00 -3.53 0.00 -1.26 -2.24 107.32 107.33 1yi2 s GLY 171 Ca 0.72 1.69 0.00 0.00 0.00 0.00 0.00 44.72 47.13 1yi2 s GLY 171 CO 0.08 1.40 0.00 -1.84 0.00 0.00 0.00 173.10 172.73 1yi2 n GLU 172 N 2.10 0.00 -1.79 2.90 0.28 -1.26 -4.99 120.64 117.88 1yi2 n GLU 172 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.42 1yi2 n GLU 172 Cb 0.56 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 1yi2 n GLU 172 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1yi2 n GLU 173 N 0.00 2.75 0.00 3.44 4.71 -1.26 -5.28 120.64 125.00 1yi2 n GLU 173 Ca 0.00 -2.61 0.03 0.00 -0.01 0.00 0.00 57.16 54.57 1yi2 n GLU 173 Cb 0.00 -3.29 0.03 0.00 -1.01 0.00 0.00 31.44 27.17 1yi2 n GLU 173 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50