#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbu s ILE 2 N 0.00 1.72 -0.05 1.12 1.01 0.12 -0.35 121.20 124.77 1cbu s ILE 2 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1cbu s ILE 2 Cb 0.00 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1cbu s ILE 2 CO 0.00 0.45 -0.16 -0.22 0.00 0.00 0.00 174.94 175.02 1cbu s LEU 3 N -0.59 2.64 -0.08 2.97 2.96 -0.70 -0.44 118.68 125.43 1cbu s LEU 3 Ca 0.08 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1cbu s LEU 3 Cb -0.08 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1cbu s LEU 3 CO -0.00 0.33 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.52 1cbu s VAL 4 N -0.62 1.36 0.20 1.68 1.01 0.17 -0.62 120.40 123.57 1cbu s VAL 4 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1cbu s VAL 4 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1cbu s VAL 4 CO 0.01 0.41 0.15 0.28 0.00 0.00 0.00 175.10 175.95 1cbu s THR 5 N 0.77 0.01 -5.00 3.92 -1.32 -0.99 -0.98 115.64 112.05 1cbu s THR 5 Ca -0.12 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 1cbu s THR 5 Cb -0.16 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1cbu s THR 5 CO 0.02 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1cbu n GLY 6 N -0.26 -0.89 0.00 6.08 0.00 -1.24 -0.41 105.19 108.46 1cbu n GLY 6 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1cbu n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbu n GLY 7 N 0.00 -0.52 3.70 -0.02 0.00 -1.26 -1.05 105.19 106.04 1cbu n GLY 7 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1cbu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbu s ALA 8 N -3.78 3.35 -1.24 4.61 0.00 -1.26 -3.84 121.76 119.60 1cbu s ALA 8 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 1cbu s ALA 8 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1cbu s ALA 8 CO 0.00 -0.40 0.79 0.54 0.00 0.00 0.00 175.76 176.69 1cbu n ARG 9 N 4.49 -4.46 0.00 0.00 3.00 -1.26 -4.89 116.66 113.54 1cbu n ARG 9 Ca 0.05 0.68 0.09 0.00 -0.01 0.00 0.00 57.85 58.65 1cbu n ARG 9 Cb 0.50 -5.27 -0.08 0.00 0.00 0.00 0.00 32.46 27.61 1cbu n ARG 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1cbu n SER 10 N -3.05 1.03 0.00 0.55 3.41 -1.25 -4.92 113.62 109.39 1cbu n SER 10 Ca -0.25 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1cbu n SER 10 Cb 0.66 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1cbu n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cbu n GLY 11 N 1.40 1.01 0.20 5.00 0.00 -1.26 -0.16 105.19 111.37 1cbu n GLY 11 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 1cbu n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cbu h LYS 12 N 0.00 0.31 -0.01 1.61 2.10 -1.93 -3.04 116.57 115.61 1cbu h LYS 12 Ca 0.00 -0.17 -0.20 0.00 -2.00 0.00 0.00 60.65 58.29 1cbu h LYS 12 Cb 0.38 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1cbu h LYS 12 CO 0.00 0.72 -0.85 0.77 -2.00 0.00 0.00 179.45 178.09 1cbu h SER 13 N 0.25 0.32 -0.45 7.07 0.02 -1.98 -1.74 113.55 117.05 1cbu h SER 13 Ca 0.02 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1cbu h SER 13 Cb 0.92 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1cbu h SER 13 CO 0.08 1.03 0.19 0.08 -1.14 0.00 0.00 176.83 177.07 1cbu h ARG 14 N 0.15 0.66 -0.69 3.45 0.11 -1.98 0.26 114.38 116.33 1cbu h ARG 14 Ca -0.04 -0.11 -0.06 0.00 0.10 0.00 0.00 59.98 59.87 1cbu h ARG 14 Cb 1.46 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 32.40 1cbu h ARG 14 CO 0.13 0.58 0.21 1.25 0.10 0.00 0.00 179.97 182.25 1cbu h HIS 15 N 0.58 1.13 -0.83 4.08 2.76 -1.55 -0.09 115.15 121.22 1cbu h HIS 15 Ca 0.15 -0.12 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1cbu h HIS 15 Cb 0.16 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.74 1cbu h HIS 15 CO -0.00 0.90 0.54 0.00 -1.30 0.00 0.00 177.93 178.07 1cbu h ALA 16 N 1.10 1.59 -0.07 5.26 0.00 -0.44 -1.29 119.26 125.40 1cbu h ALA 16 Ca 0.22 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1cbu h ALA 16 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cbu h ALA 16 CO -0.01 0.28 -0.79 0.93 0.00 0.00 0.00 179.25 179.66 1cbu h GLU 17 N 0.92 0.49 0.00 0.00 5.08 0.45 -2.88 114.58 118.64 1cbu h GLU 17 Ca 0.36 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1cbu h GLU 17 Cb 0.23 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1cbu h GLU 17 CO -0.13 1.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1cbu n ALA 18 N -2.54 2.54 -0.02 3.43 0.00 -0.14 -2.96 120.51 120.82 1cbu n ALA 18 Ca -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 1cbu n ALA 18 Cb 0.75 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 1cbu n ALA 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cbu n LEU 19 N -0.98 0.58 0.05 0.00 7.94 -0.57 -4.07 117.00 119.96 1cbu n LEU 19 Ca 0.20 0.27 -0.06 0.00 -1.11 0.00 0.00 56.01 55.31 1cbu n LEU 19 Cb 0.09 0.21 -0.11 0.00 0.53 0.00 0.00 43.42 44.14 1cbu n LEU 19 CO 0.15 0.31 0.05 0.40 -1.11 0.00 0.00 177.39 177.19 1cbu h ILE 20 N 0.00 1.49 0.00 1.96 2.04 -1.58 -3.48 117.51 117.94 1cbu h ILE 20 Ca -0.29 -3.20 0.00 0.00 1.00 0.00 0.00 64.86 62.37 1cbu h ILE 20 Cb 1.86 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.67 1cbu h ILE 20 CO 0.05 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.66 1cbu n GLY 21 N 1.37 2.53 2.19 5.37 0.00 -1.18 -2.82 105.19 112.66 1cbu n GLY 21 Ca -0.03 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1cbu n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cbu n ASP 22 N 10.71 5.57 -4.67 1.61 5.68 -1.26 -4.97 116.55 129.22 1cbu n ASP 22 Ca 0.00 -3.71 -0.42 0.00 -0.50 0.00 0.00 54.79 50.15 1cbu n ASP 22 Cb 0.00 -0.87 -0.03 0.00 -1.14 0.00 0.00 41.12 39.09 1cbu n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cbu s ALA 23 N -3.56 3.62 0.17 2.12 0.00 -1.13 -4.92 121.76 118.07 1cbu s ALA 23 Ca 0.60 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1cbu s ALA 23 Cb 0.49 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1cbu s ALA 23 CO 0.04 -1.21 1.55 -1.00 0.00 0.00 0.00 175.76 175.14 1cbu h PRO 24 N 8.74 -0.14 -5.25 0.00 0.13 -1.95 -3.40 132.00 130.13 1cbu h PRO 24 Ca -0.36 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.13 1cbu h PRO 24 Cb 1.16 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 1cbu h PRO 24 CO 0.95 -0.10 -0.75 -1.14 -0.23 0.00 0.00 178.00 176.73 1cbu s GLN 25 N -5.72 3.41 -0.03 0.86 2.00 -1.26 -0.25 119.66 118.67 1cbu s GLN 25 Ca -0.13 -0.66 0.04 0.00 -2.00 0.00 0.00 55.36 52.60 1cbu s GLN 25 Cb 0.13 -2.73 -0.00 0.00 0.80 0.00 0.00 33.01 31.21 1cbu s GLN 25 CO 0.65 0.13 -0.14 0.08 -0.50 0.00 0.00 175.29 175.51 1cbu s VAL 26 N 0.58 1.14 -0.21 1.34 1.01 0.20 -2.12 120.40 122.33 1cbu s VAL 26 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1cbu s VAL 26 Cb -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1cbu s VAL 26 CO 0.03 0.33 -0.15 -0.22 0.00 0.00 0.00 175.10 175.09 1cbu s LEU 27 N -0.08 2.58 -0.25 3.92 2.96 -1.10 -1.26 118.68 125.45 1cbu s LEU 27 Ca 0.00 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 1cbu s LEU 27 Cb -0.08 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1cbu s LEU 27 CO 0.01 -0.05 0.35 -0.47 -1.32 0.00 0.00 176.35 174.86 1cbu s TYR 28 N 1.29 3.28 -0.41 5.38 5.04 0.28 -1.28 117.35 130.91 1cbu s TYR 28 Ca 0.02 0.42 -0.09 0.00 -2.44 0.00 0.00 57.07 54.98 1cbu s TYR 28 Cb -0.15 -2.52 0.08 0.00 0.35 0.00 0.00 41.96 39.71 1cbu s TYR 28 CO -0.09 -0.15 0.25 0.42 -1.34 0.00 0.00 175.55 174.63 1cbu s ILE 29 N 1.81 4.20 -0.04 3.14 1.01 -0.98 -1.87 121.20 128.47 1cbu s ILE 29 Ca 0.15 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.17 1cbu s ILE 29 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1cbu s ILE 29 CO 0.09 -0.49 0.71 0.00 0.00 0.00 0.00 174.94 175.24 1cbu s ALA 30 N 1.42 3.35 -2.11 9.38 0.00 0.29 -1.60 121.76 132.50 1cbu s ALA 30 Ca 0.03 0.16 0.15 0.00 0.00 0.00 0.00 51.96 52.29 1cbu s ALA 30 Cb -0.23 -2.95 0.50 0.00 0.00 0.00 0.00 23.12 20.45 1cbu s ALA 30 CO 0.02 -0.05 1.38 0.25 0.00 0.00 0.00 175.76 177.36 1cbu n THR 31 N 3.52 0.33 -3.61 0.00 -2.24 -0.66 -1.36 114.28 110.25 1cbu n THR 31 Ca -0.02 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1cbu n THR 31 Cb 0.51 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1cbu n THR 31 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cbu s SER 32 N -1.25 -0.29 0.08 3.42 1.04 -1.26 -4.72 113.70 110.72 1cbu s SER 32 Ca 0.26 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 56.13 1cbu s SER 32 Cb 0.14 0.51 -0.17 0.00 0.10 0.00 0.00 66.02 66.60 1cbu s SER 32 CO 0.20 -0.90 1.68 -0.61 0.98 0.00 0.00 173.24 174.58 1cbu h GLN 33 N 2.28 -0.35 -0.90 4.02 4.15 -1.99 -1.49 115.11 120.84 1cbu h GLN 33 Ca -0.33 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.17 1cbu h GLN 33 Cb 1.27 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.98 1cbu h GLN 33 CO 0.44 -0.22 0.59 -0.84 -1.93 0.00 0.00 178.83 176.87 1cbu h ILE 34 N -0.38 1.08 -0.74 2.39 -2.65 -1.97 1.76 117.51 117.01 1cbu h ILE 34 Ca -0.04 -0.36 -0.05 0.00 1.03 0.00 0.00 64.86 65.44 1cbu h ILE 34 Cb 0.29 -0.05 -0.03 0.00 -2.05 0.00 0.00 36.82 34.98 1cbu h ILE 34 CO 0.06 0.19 0.26 -0.07 0.03 0.00 0.00 178.15 178.62 1cbu h LEU 35 N 1.04 1.04 -0.03 0.16 3.38 -1.89 -2.54 115.31 116.47 1cbu h LEU 35 Ca 0.38 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1cbu h LEU 35 Cb 0.16 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1cbu h LEU 35 CO -0.14 0.95 -0.78 -0.78 0.09 0.00 0.00 178.44 177.78 1cbu h ASP 36 N 1.08 0.74 -0.18 -0.43 3.58 0.06 -2.91 116.42 118.37 1cbu h ASP 36 Ca 0.24 -0.72 0.05 0.00 0.42 0.00 0.00 57.03 57.02 1cbu h ASP 36 Cb 0.26 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1cbu h ASP 36 CO -0.01 1.36 0.22 0.44 -2.88 0.00 0.00 179.24 178.36 1cbu h ASP 37 N 0.19 0.00 0.01 2.28 5.19 0.28 -1.24 116.42 123.13 1cbu h ASP 37 Ca -0.09 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 55.92 1cbu h ASP 37 Cb 1.45 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.90 1cbu h ASP 37 CO 0.15 0.00 -2.28 -0.62 -3.12 0.00 0.00 179.24 173.37 1cbu n GLU 38 N -3.70 0.61 -0.31 3.56 1.02 -0.98 -3.72 120.64 117.12 1cbu n GLU 38 Ca 0.01 0.29 0.09 0.00 -0.02 0.00 0.00 57.16 57.54 1cbu n GLU 38 Cb 0.33 -1.56 0.30 0.00 -0.02 0.00 0.00 31.44 30.50 1cbu n GLU 38 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1cbu h MET 39 N -0.71 0.84 0.88 3.49 4.05 -1.38 0.21 114.93 122.31 1cbu h MET 39 Ca -0.60 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 58.73 1cbu h MET 39 Cb 1.66 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 32.28 1cbu h MET 39 CO -0.28 0.55 -0.42 0.00 0.23 0.00 0.00 176.91 176.99 1cbu h ALA 40 N 1.57 -1.19 -0.89 0.39 0.00 -1.42 0.33 119.26 118.05 1cbu h ALA 40 Ca 0.47 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1cbu h ALA 40 Cb 0.56 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1cbu h ALA 40 CO -0.23 -1.15 0.51 0.00 0.00 0.00 0.00 179.25 178.39 1cbu h ALA 41 N -1.12 1.33 0.00 0.00 0.00 -1.46 0.62 119.26 118.63 1cbu h ALA 41 Ca -0.12 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1cbu h ALA 41 Cb 0.91 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cbu h ALA 41 CO 0.20 0.07 -0.19 -0.09 0.00 0.00 0.00 179.25 179.23 1cbu h ARG 42 N 0.79 0.00 0.04 0.00 2.43 -0.47 -2.42 114.38 114.75 1cbu h ARG 42 Ca 0.46 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.52 1cbu h ARG 42 Cb 0.52 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1cbu h ARG 42 CO -0.30 0.19 -0.43 0.82 -1.51 0.00 0.00 179.97 178.75 1cbu h ILE 43 N 0.00 1.56 -0.86 1.20 2.04 0.13 -3.02 117.51 118.57 1cbu h ILE 43 Ca -0.00 -2.20 0.10 0.00 1.00 0.00 0.00 64.86 63.76 1cbu h ILE 43 Cb 0.51 2.96 -0.08 0.00 -0.74 0.00 0.00 36.82 39.48 1cbu h ILE 43 CO 0.02 0.61 0.49 1.56 0.00 0.00 0.00 178.15 180.84 1cbu h GLN 44 N -0.48 0.78 -0.18 2.37 4.20 -1.04 1.43 115.11 122.19 1cbu h GLN 44 Ca -0.06 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1cbu h GLN 44 Cb 1.24 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1cbu h GLN 44 CO 0.08 0.52 -0.39 0.45 -0.67 0.00 0.00 178.83 178.82 1cbu h HIS 45 N 0.80 0.48 -0.23 2.96 3.86 -1.51 -3.21 115.15 118.30 1cbu h HIS 45 Ca 0.42 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1cbu h HIS 45 Cb 0.42 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1cbu h HIS 45 CO -0.06 0.74 0.00 0.72 0.86 0.00 0.00 177.93 180.20 1cbu n HIS 46 N -4.04 0.30 0.27 2.45 -0.00 -0.64 -4.55 115.22 109.02 1cbu n HIS 46 Ca -0.01 -0.25 0.16 0.00 -0.00 0.00 0.00 57.72 57.61 1cbu n HIS 46 Cb 0.49 -0.01 0.78 0.00 -0.00 0.00 0.00 29.99 31.25 1cbu n HIS 46 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1cbu h LYS 47 N 2.71 0.00 0.00 -0.41 5.09 0.19 -2.33 116.57 121.82 1cbu h LYS 47 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1cbu h LYS 47 Cb 0.70 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.03 1cbu h LYS 47 CO 0.00 0.00 -1.72 -0.25 -2.09 0.00 0.00 179.45 175.39 1cbu n ASP 48 N -2.62 1.42 -1.22 7.07 9.92 -1.26 -4.35 116.55 125.51 1cbu n ASP 48 Ca -0.01 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.35 1cbu n ASP 48 Cb 0.12 1.69 0.29 0.00 -0.64 0.00 0.00 41.12 42.57 1cbu n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cbu n GLY 49 N 1.63 2.05 2.74 0.44 0.00 -1.01 -4.81 105.19 106.23 1cbu n GLY 49 Ca -0.03 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1cbu n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cbu s ARG 50 N -1.27 -0.03 0.08 1.61 1.70 -0.91 -5.06 118.95 115.08 1cbu s ARG 50 Ca 0.43 0.43 -0.22 0.00 -0.47 0.00 0.00 55.73 55.90 1cbu s ARG 50 Cb 0.23 -0.40 -0.12 0.00 -0.57 0.00 0.00 34.95 34.10 1cbu s ARG 50 CO 0.28 -0.30 1.66 -1.35 -1.08 0.00 0.00 175.30 174.50 1cbu h PRO 51 N 8.29 0.15 -6.42 3.89 0.11 -1.87 -3.44 132.00 132.70 1cbu h PRO 51 Ca -0.16 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.31 1cbu h PRO 51 Cb 1.12 -0.03 0.10 0.00 0.11 0.00 0.00 31.00 32.30 1cbu h PRO 51 CO 0.18 0.21 0.15 0.00 -0.21 0.00 0.00 178.00 178.33 1cbu n ALA 52 N -2.18 -0.42 -2.64 -0.75 0.00 -1.26 -4.92 120.51 108.35 1cbu n ALA 52 Ca -0.05 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 1cbu n ALA 52 Cb 0.08 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 1cbu n ALA 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1cbu s HIS 53 N -0.80 3.31 -0.10 0.00 2.46 0.65 -4.97 115.29 115.83 1cbu s HIS 53 Ca 0.63 0.57 -0.02 0.00 0.47 0.00 0.00 55.06 56.71 1cbu s HIS 53 Cb -0.74 -2.60 -0.03 0.00 -0.13 0.00 0.00 32.58 29.07 1cbu s HIS 53 CO 0.57 -0.15 -0.01 -1.58 -2.47 0.00 0.00 174.74 171.10 1cbu s TRP 54 N 1.83 3.12 0.08 3.88 0.52 -1.26 -0.63 118.94 126.48 1cbu s TRP 54 Ca 0.19 0.11 0.04 0.00 0.02 0.00 0.00 56.10 56.46 1cbu s TRP 54 Cb -0.15 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1cbu s TRP 54 CO 0.09 0.38 -0.11 -0.98 0.02 0.00 0.00 176.95 176.35 1cbu s ARG 55 N -0.66 0.80 0.31 4.98 1.70 -0.39 -4.98 118.95 120.71 1cbu s ARG 55 Ca 0.10 -1.06 0.08 0.00 -0.47 0.00 0.00 55.73 54.38 1cbu s ARG 55 Cb -0.12 -0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 33.63 1cbu s ARG 55 CO 0.02 0.10 -0.06 0.95 -1.08 0.00 0.00 175.30 175.23 1cbu s THR 56 N -2.02 1.85 -0.27 4.99 -4.23 -1.26 -0.56 115.64 114.14 1cbu s THR 56 Ca 0.02 -2.14 -0.26 0.00 -1.18 0.00 0.00 61.69 58.12 1cbu s THR 56 Cb -0.06 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.39 1cbu s THR 56 CO 0.01 -0.24 1.22 0.00 -0.54 0.00 0.00 174.62 175.07 1cbu s ALA 57 N -2.87 -2.08 -0.18 3.99 0.00 -0.78 -4.92 121.76 114.92 1cbu s ALA 57 Ca 0.31 1.76 -0.09 0.00 0.00 0.00 0.00 51.96 53.94 1cbu s ALA 57 Cb 0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1cbu s ALA 57 CO 0.14 -0.20 0.12 -2.00 0.00 0.00 0.00 175.76 173.82 1cbu s GLU 58 N -0.21 4.02 -0.28 0.00 2.12 -1.26 -0.55 118.70 122.55 1cbu s GLU 58 Ca 0.05 -0.23 -0.25 0.00 0.36 0.00 0.00 54.97 54.89 1cbu s GLU 58 Cb -0.04 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.14 1cbu s GLU 58 CO -0.09 0.37 1.06 0.00 -0.54 0.00 0.00 175.26 176.06 1cbu n TRP 60 N 2.13 -0.41 -3.64 0.00 4.27 -1.26 -4.23 117.44 114.29 1cbu n TRP 60 Ca -0.12 -1.38 -0.04 0.00 -3.89 0.00 0.00 57.50 52.07 1cbu n TRP 60 Cb 0.56 0.58 -0.07 0.00 -1.36 0.00 0.00 31.31 31.03 1cbu n TRP 60 CO 0.00 0.00 0.00 0.50 -2.29 0.00 0.00 177.69 175.90 1cbu s ARG 61 N -0.98 0.43 -1.17 -2.67 3.52 -1.26 -4.91 118.95 111.92 1cbu s ARG 61 Ca 0.16 0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 56.41 1cbu s ARG 61 Cb 0.31 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 1cbu s ARG 61 CO -0.08 -0.08 0.85 0.72 -0.81 0.00 0.00 175.30 175.89 1cbu n HIS 62 N 3.57 -2.15 0.31 5.12 8.25 -1.26 -4.83 115.22 124.23 1cbu n HIS 62 Ca -0.18 0.79 0.16 0.00 -0.26 0.00 0.00 57.72 58.23 1cbu n HIS 62 Cb 0.58 -4.25 0.70 0.00 1.12 0.00 0.00 29.99 28.14 1cbu n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cbu h LEU 63 N -1.61 0.00 0.00 2.41 3.38 -1.92 -2.11 115.31 115.45 1cbu h LEU 63 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1cbu h LEU 63 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1cbu h LEU 63 CO 0.49 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.12 1cbu n ASP 64 N -2.71 0.00 0.07 -0.43 5.75 -1.26 -0.09 116.55 117.88 1cbu n ASP 64 Ca 0.00 -0.14 0.12 0.00 -0.01 0.00 0.00 54.79 54.76 1cbu n ASP 64 Cb 0.21 -0.13 0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1cbu n ASP 64 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1cbu n THR 65 N -1.13 0.42 -0.04 2.12 -1.04 -0.79 -4.13 114.28 109.69 1cbu n THR 65 Ca 0.07 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.05 61.64 1cbu n THR 65 Cb 0.06 -0.14 -0.05 0.00 -1.82 0.00 0.00 70.33 68.37 1cbu n THR 65 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1cbu n LEU 66 N -2.33 0.81 -4.36 -4.42 4.77 0.65 -4.84 117.00 107.28 1cbu n LEU 66 Ca 0.01 -0.01 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 1cbu n LEU 66 Cb 0.49 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1cbu n LEU 66 CO 0.39 0.31 0.48 -0.63 -1.33 0.00 0.00 177.39 176.61 1cbu s ILE 67 N -2.18 5.17 0.43 -0.08 1.01 0.87 -5.02 121.20 121.40 1cbu s ILE 67 Ca -0.06 -1.76 0.06 0.00 0.00 0.00 0.00 60.65 58.89 1cbu s ILE 67 Cb 0.02 -4.51 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 1cbu s ILE 67 CO 0.28 -1.12 0.06 0.42 0.00 0.00 0.00 174.94 174.58 1cbu s THR 68 N 1.53 1.98 -1.71 2.92 -4.23 -1.26 -4.55 115.64 110.32 1cbu s THR 68 Ca 0.17 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1cbu s THR 68 Cb -0.16 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1cbu s THR 68 CO -0.03 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 174.94 1cbu n ALA 69 N -1.09 2.51 -1.33 3.99 0.00 -1.26 -3.80 120.51 119.53 1cbu n ALA 69 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1cbu n ALA 69 Cb 0.66 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.30 1cbu n ALA 69 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cbu n ASP 70 N -0.29 2.30 -4.78 0.00 5.68 -1.26 -4.80 116.55 113.40 1cbu n ASP 70 Ca 0.01 -3.52 -0.26 0.00 -0.50 0.00 0.00 54.79 50.52 1cbu n ASP 70 Cb 0.10 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 39.50 1cbu n ASP 70 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1cbu s LEU 71 N -3.08 3.73 0.20 -2.12 1.43 -1.25 -5.10 118.68 112.49 1cbu s LEU 71 Ca 0.38 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 1cbu s LEU 71 Cb 0.34 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1cbu s LEU 71 CO -0.01 0.07 0.83 0.00 0.23 0.00 0.00 176.35 177.47 1cbu s ALA 72 N -1.76 3.40 0.62 4.21 0.00 -1.26 -4.30 121.76 122.67 1cbu s ALA 72 Ca 0.30 0.43 0.20 0.00 0.00 0.00 0.00 51.96 52.90 1cbu s ALA 72 Cb -0.10 -3.03 1.11 0.00 0.00 0.00 0.00 23.12 21.09 1cbu s ALA 72 CO 0.23 0.26 1.61 -1.35 0.00 0.00 0.00 175.76 176.51 1cbu h PRO 73 N 4.13 0.00 0.00 0.00 0.11 -1.96 2.96 132.00 137.23 1cbu h PRO 73 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cbu h PRO 73 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cbu h PRO 73 CO 0.66 0.00 -1.03 -0.25 -0.21 0.00 0.00 178.00 177.18 1cbu n ASP 74 N -2.71 0.81 -4.76 -2.05 8.00 -1.26 -4.38 116.55 110.18 1cbu n ASP 74 Ca -0.01 0.29 -0.37 0.00 0.71 0.00 0.00 54.79 55.41 1cbu n ASP 74 Cb 0.55 0.50 0.01 0.00 -0.02 0.00 0.00 41.12 42.16 1cbu n ASP 74 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1cbu s ASP 75 N -5.24 5.72 0.28 -2.24 1.11 0.99 -4.27 116.67 113.01 1cbu s ASP 75 Ca -0.00 2.38 0.09 0.00 0.18 0.00 0.00 52.55 55.20 1cbu s ASP 75 Cb 0.10 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.43 1cbu s ASP 75 CO 0.79 -1.23 -0.13 0.00 1.18 0.00 0.00 175.17 175.77 1cbu s ALA 76 N -1.55 2.54 -0.13 5.23 0.00 -0.90 -1.73 121.76 125.22 1cbu s ALA 76 Ca 0.70 -1.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1cbu s ALA 76 Cb -0.30 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.80 1cbu s ALA 76 CO 0.35 0.11 0.27 0.42 0.00 0.00 0.00 175.76 176.91 1cbu s ILE 77 N -2.74 -0.35 -0.51 0.00 1.01 -0.73 -2.72 121.20 115.15 1cbu s ILE 77 Ca 0.29 0.25 0.04 0.00 0.00 0.00 0.00 60.65 61.23 1cbu s ILE 77 Cb -0.01 -0.44 0.13 0.00 0.01 0.00 0.00 42.46 42.15 1cbu s ILE 77 CO 0.13 0.10 0.26 -0.22 0.00 0.00 0.00 174.94 175.21 1cbu s LEU 78 N 2.21 4.04 -0.10 2.97 0.20 -0.41 -1.08 118.68 126.51 1cbu s LEU 78 Ca -0.01 -2.97 -0.21 0.00 0.69 0.00 0.00 54.13 51.63 1cbu s LEU 78 Cb -0.12 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 1cbu s LEU 78 CO -0.09 -0.23 0.59 -0.22 -0.29 0.00 0.00 176.35 176.11 1cbu s LEU 79 N -0.21 4.28 -0.13 -0.68 0.20 -0.60 -2.32 118.68 119.22 1cbu s LEU 79 Ca 0.17 0.98 -0.08 0.00 0.69 0.00 0.00 54.13 55.89 1cbu s LEU 79 Cb -0.25 -2.88 0.04 0.00 -0.43 0.00 0.00 46.19 42.67 1cbu s LEU 79 CO -0.00 -0.08 0.31 -0.70 -0.29 0.00 0.00 176.35 175.59 1cbu s GLU 80 N 0.85 0.31 -0.03 1.98 2.12 -0.63 -2.30 118.70 121.01 1cbu s GLU 80 Ca 0.31 0.56 0.06 0.00 0.36 0.00 0.00 54.97 56.26 1cbu s GLU 80 Cb -0.16 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.23 1cbu s GLU 80 CO 0.14 -0.12 -0.20 0.00 -0.54 0.00 0.00 175.26 174.54 1cbu h ILE 82 N 4.89 0.45 -0.81 0.00 5.03 -0.05 -2.22 117.51 124.80 1cbu h ILE 82 Ca -0.36 -0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.40 1cbu h ILE 82 Cb 1.16 0.44 -0.04 0.00 -3.03 0.00 0.00 36.82 35.35 1cbu h ILE 82 CO 0.48 0.00 0.54 0.71 -0.68 0.00 0.00 178.15 179.19 1cbu h THR 83 N 0.01 1.16 0.00 -0.27 1.35 -1.93 0.24 112.91 113.47 1cbu h THR 83 Ca 0.27 -0.36 -0.07 0.00 -0.55 0.00 0.00 66.41 65.70 1cbu h THR 83 Cb 0.41 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1cbu h THR 83 CO -0.56 0.19 -0.35 0.74 -0.25 0.00 0.00 175.52 175.28 1cbu h THR 84 N 1.04 1.11 -0.22 6.82 2.02 -1.80 -1.98 112.91 119.91 1cbu h THR 84 Ca 0.31 -1.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 1cbu h THR 84 Cb -0.03 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1cbu h THR 84 CO -0.08 0.35 -0.37 -0.03 0.37 0.00 0.00 175.52 175.75 1cbu h MET 85 N 0.00 0.49 -0.23 6.66 -1.53 -0.57 -2.11 114.93 117.64 1cbu h MET 85 Ca -0.00 -0.23 -0.20 0.00 -3.44 0.00 0.00 59.70 55.83 1cbu h MET 85 Cb 0.68 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.73 1cbu h MET 85 CO 0.05 0.79 -0.64 0.28 0.14 0.00 0.00 176.91 177.53 1cbu h VAL 86 N 0.41 1.28 -0.07 -5.77 2.07 -0.80 -2.20 116.25 111.17 1cbu h VAL 86 Ca 0.04 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1cbu h VAL 86 Cb 0.84 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1cbu h VAL 86 CO 0.07 0.59 0.04 0.71 0.02 0.00 0.00 177.57 179.00 1cbu h THR 87 N 0.60 1.05 -1.00 2.57 1.35 -1.30 -1.08 112.91 115.10 1cbu h THR 87 Ca -0.01 -0.13 0.09 0.00 -0.55 0.00 0.00 66.41 65.80 1cbu h THR 87 Cb 1.25 1.01 -0.07 0.00 -1.73 0.00 0.00 68.15 68.61 1cbu h THR 87 CO 0.14 0.04 0.64 0.78 -0.25 0.00 0.00 175.52 176.87 1cbu h ASN 88 N 0.06 0.99 -0.30 5.36 2.35 -1.35 -2.40 115.58 120.29 1cbu h ASN 88 Ca 0.03 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1cbu h ASN 88 Cb 0.03 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1cbu h ASN 88 CO -0.00 0.60 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.93 1cbu h LEU 89 N 1.10 0.84 0.17 1.61 3.38 -1.00 -2.64 115.31 118.76 1cbu h LEU 89 Ca 0.45 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cbu h LEU 89 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1cbu h LEU 89 CO -0.20 1.16 -0.30 -0.07 0.09 0.00 0.00 178.44 179.12 1cbu h LEU 90 N 0.54 -0.88 -1.29 1.67 3.38 -0.72 0.70 115.31 118.72 1cbu h LEU 90 Ca 0.04 0.08 0.22 0.00 0.09 0.00 0.00 57.88 58.31 1cbu h LEU 90 Cb 0.96 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 1cbu h LEU 90 CO 0.09 -0.35 0.62 -0.26 0.09 0.00 0.00 178.44 178.63 1cbu h PHE 91 N -0.51 0.77 -0.17 1.13 0.04 -1.55 0.65 116.94 117.30 1cbu h PHE 91 Ca -0.02 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.58 1cbu h PHE 91 Cb 0.47 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1cbu h PHE 91 CO -0.29 0.16 -0.69 0.00 -0.60 0.00 0.00 178.31 176.88 1cbu h ALA 92 N 1.63 0.46 -0.02 2.45 0.00 -0.98 0.45 119.26 123.24 1cbu h ALA 92 Ca 0.54 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1cbu h ALA 92 Cb 1.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1cbu h ALA 92 CO -0.28 0.70 -0.93 -0.07 0.00 0.00 0.00 179.25 178.67 1cbu h LEU 93 N 0.50 0.62 0.29 0.00 3.38 0.32 -3.33 115.31 117.09 1cbu h LEU 93 Ca -0.03 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1cbu h LEU 93 Cb 1.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1cbu h LEU 93 CO 0.14 1.27 -0.14 1.23 0.09 0.00 0.00 178.44 181.03 1cbu h GLY 94 N 1.06 -0.41 0.00 0.83 0.00 0.13 -3.48 103.07 101.20 1cbu h GLY 94 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1cbu h GLY 94 CO 0.17 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1cbu n GLY 95 N 0.77 3.21 0.48 4.60 0.00 0.16 -3.62 105.19 110.79 1cbu n GLY 95 Ca -0.05 -0.15 0.27 0.00 0.00 0.00 0.00 46.02 46.09 1cbu n GLY 95 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cbu h GLU 96 N 0.00 0.00 -6.24 1.61 4.22 -1.91 -3.42 114.58 108.83 1cbu h GLU 96 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.87 1cbu h GLU 96 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1cbu h GLU 96 CO 0.00 0.00 -0.19 0.54 -2.18 0.00 0.00 179.01 177.18 1cbu s ASN 97 N -4.47 6.66 0.27 1.04 4.22 -1.24 -5.04 114.94 116.38 1cbu s ASN 97 Ca -0.04 0.86 -0.30 0.00 -2.14 0.00 0.00 52.86 51.24 1cbu s ASN 97 Cb 0.17 -2.20 -0.11 0.00 1.28 0.00 0.00 41.25 40.39 1cbu s ASN 97 CO 0.57 0.08 1.51 -0.62 -2.04 0.00 0.00 177.10 176.60 1cbu s ASP 98 N -1.98 6.52 0.55 3.54 2.15 -1.26 -4.87 116.67 121.32 1cbu s ASP 98 Ca 0.38 2.80 0.37 0.00 0.43 0.00 0.00 52.55 56.54 1cbu s ASP 98 Cb -0.13 -2.63 1.54 0.00 -0.30 0.00 0.00 42.92 41.40 1cbu s ASP 98 CO 0.20 -0.80 1.78 -0.65 -0.17 0.00 0.00 175.17 175.53 1cbu h PRO 99 N 4.90 0.00 0.00 4.34 0.11 -1.96 0.28 132.00 139.67 1cbu h PRO 99 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cbu h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1cbu h PRO 99 CO 0.78 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 1cbu n GLU 100 N -4.12 0.56 -0.12 1.05 1.02 -1.26 -1.28 120.64 116.50 1cbu n GLU 100 Ca 0.26 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 1cbu n GLU 100 Cb 1.27 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 31.31 1cbu n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cbu n GLN 101 N -1.09 1.99 -2.84 3.49 10.64 0.99 -5.02 117.38 125.55 1cbu n GLN 101 Ca 0.14 -2.35 -0.37 0.00 -1.83 0.00 0.00 57.00 52.59 1cbu n GLN 101 Cb 0.11 -1.43 -0.06 0.00 -0.86 0.00 0.00 30.24 27.99 1cbu n GLN 101 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1cbu s TRP 102 N -2.35 3.69 -0.91 2.61 0.52 -0.40 -4.95 118.94 117.14 1cbu s TRP 102 Ca 0.26 1.72 -0.05 0.00 0.02 0.00 0.00 56.10 58.04 1cbu s TRP 102 Cb 0.22 -2.87 0.23 0.00 -1.15 0.00 0.00 33.47 29.90 1cbu s TRP 102 CO 0.04 0.24 0.83 0.34 0.02 0.00 0.00 176.95 178.42 1cbu s ASP 103 N -1.61 6.35 0.27 2.95 -1.08 -1.26 -4.94 116.67 117.35 1cbu s ASP 103 Ca 0.49 -3.47 -0.01 0.00 -0.52 0.00 0.00 52.55 49.03 1cbu s ASP 103 Cb -0.18 -2.02 0.47 0.00 -1.46 0.00 0.00 42.92 39.73 1cbu s ASP 103 CO 0.23 -0.27 1.83 1.88 0.52 0.00 0.00 175.17 179.36 1cbu h TYR 104 N 6.50 1.06 -0.40 -5.34 -1.99 -1.95 -1.56 116.97 113.28 1cbu h TYR 104 Ca 0.14 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.96 1cbu h TYR 104 Cb 0.87 -0.33 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 1cbu h TYR 104 CO 0.76 0.45 0.09 0.00 -0.00 0.00 0.00 178.16 179.46 1cbu h ALA 105 N 1.50 0.44 0.00 3.88 0.00 -2.00 0.26 119.26 123.34 1cbu h ALA 105 Ca 0.45 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 1cbu h ALA 105 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cbu h ALA 105 CO -0.24 -0.31 -0.41 0.00 0.00 0.00 0.00 179.25 178.28 1cbu h ALA 106 N 1.30 1.27 0.00 0.00 0.00 -1.85 -2.53 119.26 117.46 1cbu h ALA 106 Ca 0.20 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1cbu h ALA 106 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cbu h ALA 106 CO -0.25 0.51 -0.47 0.52 0.00 0.00 0.00 179.25 179.56 1cbu h MET 107 N 0.00 0.00 -0.18 0.00 2.07 -0.32 -3.13 114.93 113.37 1cbu h MET 107 Ca -0.00 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.49 1cbu h MET 107 Cb 0.75 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.47 1cbu h MET 107 CO 0.05 0.47 -0.47 1.49 1.07 0.00 0.00 176.91 179.53 1cbu h GLU 108 N 0.00 0.46 -0.08 1.72 4.81 -0.08 -2.31 114.58 119.09 1cbu h GLU 108 Ca -0.00 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1cbu h GLU 108 Cb 1.22 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1cbu h GLU 108 CO 0.06 0.84 -0.01 0.00 -0.73 0.00 0.00 179.01 179.17 1cbu h ARG 109 N 0.37 0.15 -0.81 1.92 3.08 -1.52 -0.76 114.38 116.82 1cbu h ARG 109 Ca 0.02 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1cbu h ARG 109 Cb 0.97 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1cbu h ARG 109 CO 0.08 0.44 0.49 0.00 -1.07 0.00 0.00 179.97 179.91 1cbu h ALA 110 N 0.71 1.11 0.41 0.04 0.00 -1.52 -1.27 119.26 118.72 1cbu h ALA 110 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cbu h ALA 110 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cbu h ALA 110 CO 0.01 0.20 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 1cbu h ILE 111 N 0.88 0.60 -0.84 0.00 2.04 -1.26 -2.72 117.51 116.22 1cbu h ILE 111 Ca 0.36 -0.10 0.13 0.00 1.00 0.00 0.00 64.86 66.25 1cbu h ILE 111 Cb 0.20 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1cbu h ILE 111 CO -0.18 0.02 0.45 0.44 0.00 0.00 0.00 178.15 178.88 1cbu h ASP 112 N -0.60 0.57 -0.07 1.72 3.32 -0.72 0.53 116.42 121.16 1cbu h ASP 112 Ca -0.06 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1cbu h ASP 112 Cb 0.45 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1cbu h ASP 112 CO 0.09 0.27 0.20 0.44 -1.72 0.00 0.00 179.24 178.52 1cbu h ASP 113 N 0.67 0.00 0.48 6.45 3.32 -1.05 0.75 116.42 127.04 1cbu h ASP 113 Ca 0.45 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.20 1cbu h ASP 113 Cb 0.58 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1cbu h ASP 113 CO -0.33 0.00 -1.71 -0.33 -1.72 0.00 0.00 179.24 175.15 1cbu h GLU 114 N 0.00 0.02 -0.09 3.56 4.39 0.31 -3.32 114.58 119.45 1cbu h GLU 114 Ca 0.03 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1cbu h GLU 114 Cb 0.44 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1cbu h GLU 114 CO -0.00 0.55 -0.04 0.82 -1.16 0.00 0.00 179.01 179.18 1cbu h ILE 115 N 0.01 1.32 -0.39 3.13 1.08 0.17 -3.03 117.51 119.79 1cbu h ILE 115 Ca -0.29 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.21 1cbu h ILE 115 Cb 2.01 1.84 -0.08 0.00 -3.07 0.00 0.00 36.82 37.52 1cbu h ILE 115 CO 0.08 0.30 -0.15 1.56 -0.69 0.00 0.00 178.15 179.25 1cbu h GLN 116 N -0.18 -0.06 -0.53 2.37 4.20 -0.95 0.16 115.11 120.12 1cbu h GLN 116 Ca 0.02 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.84 1cbu h GLN 116 Cb 0.49 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 1cbu h GLN 116 CO 0.01 -0.04 -0.22 0.82 -0.67 0.00 0.00 178.83 178.73 1cbu h ILE 117 N -0.07 0.33 -0.66 2.54 2.04 -1.65 3.08 117.51 123.12 1cbu h ILE 117 Ca 0.19 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 1cbu h ILE 117 Cb 0.36 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1cbu h ILE 117 CO -0.44 0.00 0.09 0.25 0.00 0.00 0.00 178.15 178.05 1cbu h LEU 118 N -0.10 1.07 0.24 1.44 5.85 -1.25 0.25 115.31 122.81 1cbu h LEU 118 Ca 0.24 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1cbu h LEU 118 Cb 0.48 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1cbu h LEU 118 CO -0.59 1.07 -0.11 0.40 -0.34 0.00 0.00 178.44 178.87 1cbu h ILE 119 N 1.03 0.83 -0.22 4.05 2.04 0.17 -1.33 117.51 124.07 1cbu h ILE 119 Ca 0.20 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1cbu h ILE 119 Cb 0.47 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1cbu h ILE 119 CO 0.02 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.41 1cbu h ALA 120 N 0.03 1.80 -0.49 1.87 0.00 0.55 -2.35 119.26 120.67 1cbu h ALA 120 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1cbu h ALA 120 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cbu h ALA 120 CO 0.05 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.49 1cbu h ALA 121 N 1.83 0.65 0.00 0.00 0.00 -0.22 -2.85 119.26 118.67 1cbu h ALA 121 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1cbu h ALA 121 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cbu h ALA 121 CO -0.01 0.45 -0.22 0.00 0.00 0.00 0.00 179.25 179.47 1cbu h GLN 123 N 0.00 0.68 -0.09 0.00 4.20 -1.29 -3.09 115.11 115.53 1cbu h GLN 123 Ca -0.00 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1cbu h GLN 123 Cb 0.44 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1cbu h GLN 123 CO 0.03 0.70 -0.38 0.00 -0.67 0.00 0.00 178.83 178.50 1cbu h ARG 124 N 0.54 0.42 -6.22 1.46 3.08 -1.29 -3.43 114.38 108.94 1cbu h ARG 124 Ca 0.13 -0.33 -0.55 0.00 0.07 0.00 0.00 59.98 59.30 1cbu h ARG 124 Cb 0.34 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1cbu h ARG 124 CO 0.00 0.96 1.32 0.00 -1.07 0.00 0.00 179.97 181.19 1cbu n PRO 126 N 7.99 0.01 -2.75 0.00 -0.04 -1.26 -4.83 135.00 134.13 1cbu n PRO 126 Ca 0.23 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.66 1cbu n PRO 126 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1cbu n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cbu s ALA 127 N -2.98 3.52 -0.43 0.55 0.00 -1.26 -3.87 121.76 117.28 1cbu s ALA 127 Ca 0.08 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1cbu s ALA 127 Cb 0.10 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1cbu s ALA 127 CO 0.29 -0.47 1.66 0.21 0.00 0.00 0.00 175.76 177.44 1cbu s LYS 128 N -4.72 3.28 -0.24 0.00 2.20 -0.71 -4.94 119.74 114.61 1cbu s LYS 128 Ca 0.49 1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 57.03 1cbu s LYS 128 Cb -0.10 -4.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 1cbu s LYS 128 CO 0.42 -1.93 0.20 0.08 -0.36 0.00 0.00 175.35 173.76 1cbu s VAL 129 N 6.75 5.32 -0.17 4.02 1.01 -1.26 -1.77 120.40 134.30 1cbu s VAL 129 Ca 0.69 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1cbu s VAL 129 Cb -0.17 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1cbu s VAL 129 CO 0.30 0.31 -0.19 -0.69 0.00 0.00 0.00 175.10 174.83 1cbu s VAL 130 N 1.27 2.24 -0.04 2.92 1.01 -0.24 0.14 120.40 127.69 1cbu s VAL 130 Ca 0.09 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1cbu s VAL 130 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1cbu s VAL 130 CO 0.06 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.77 1cbu s LEU 131 N 1.14 2.65 -0.08 3.92 1.43 0.42 -1.56 118.68 126.59 1cbu s LEU 131 Ca 0.01 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1cbu s LEU 131 Cb -0.14 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1cbu s LEU 131 CO -0.08 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 1cbu s VAL 132 N -0.72 2.43 0.27 -1.59 1.01 -0.97 0.43 120.40 121.26 1cbu s VAL 132 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1cbu s VAL 132 Cb -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1cbu s VAL 132 CO 0.00 0.56 0.28 0.28 0.00 0.00 0.00 175.10 176.23 1cbu s THR 133 N -0.10 0.00 0.23 3.92 -1.32 -0.15 0.69 115.64 118.90 1cbu s THR 133 Ca -0.04 -1.86 0.11 0.00 -1.21 0.00 0.00 61.69 58.69 1cbu s THR 133 Cb -0.14 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 1cbu s THR 133 CO 0.04 0.00 -0.22 0.20 -2.21 0.00 0.00 174.62 172.44 1cbu s ASN 134 N -3.23 3.40 -0.37 8.08 -0.87 -1.26 -3.68 114.94 117.01 1cbu s ASN 134 Ca 0.36 -0.94 -0.13 0.00 -1.57 0.00 0.00 52.86 50.58 1cbu s ASN 134 Cb 0.03 -0.26 0.01 0.00 -0.02 0.00 0.00 41.25 41.01 1cbu s ASN 134 CO 0.18 0.06 0.24 -0.70 -2.57 0.00 0.00 177.10 174.32 1cbu s GLU 135 N -3.06 3.14 -0.02 -0.60 2.56 -0.21 -4.85 118.70 115.65 1cbu s GLU 135 Ca 0.24 -0.89 0.03 0.00 0.00 0.00 0.00 54.97 54.35 1cbu s GLU 135 Cb -0.06 -3.81 0.04 0.00 2.00 0.00 0.00 34.13 32.30 1cbu s GLU 135 CO 0.12 -0.60 1.02 1.33 -0.56 0.00 0.00 175.26 176.56 1cbu n VAL 136 N 5.08 1.11 -1.05 3.70 0.24 -1.26 -4.64 118.33 121.51 1cbu n VAL 136 Ca -0.12 -1.17 0.03 0.00 -2.04 0.00 0.00 64.34 61.04 1cbu n VAL 136 Cb 0.48 0.40 0.29 0.00 -1.47 0.00 0.00 33.84 33.54 1cbu n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cbu n GLY 137 N -0.63 3.89 1.37 7.63 0.00 -1.26 -4.55 105.19 111.64 1cbu n GLY 137 Ca 0.02 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.06 1cbu n GLY 137 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cbu n MET 138 N -0.32 3.60 -0.65 1.61 2.81 -1.26 -4.96 117.12 117.95 1cbu n MET 138 Ca 0.29 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.17 1cbu n MET 138 Cb 1.08 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1cbu n MET 138 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cbu n GLY 139 N -0.15 5.10 3.84 3.03 0.00 -1.26 -5.13 105.19 110.62 1cbu n GLY 139 Ca 0.27 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1cbu n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cbu s ILE 140 N 0.65 4.64 0.28 -0.61 1.09 -1.26 -5.02 121.20 120.97 1cbu s ILE 140 Ca 0.00 1.07 -0.30 0.00 -1.10 0.00 0.00 60.65 60.31 1cbu s ILE 140 Cb 0.00 -3.69 -0.12 0.00 -1.06 0.00 0.00 42.46 37.59 1cbu s ILE 140 CO 0.00 -0.06 1.60 0.52 -0.10 0.00 0.00 174.94 176.89 1cbu n VAL 141 N -0.03 0.87 -3.05 2.92 0.31 -1.26 -4.96 118.33 113.13 1cbu n VAL 141 Ca 0.02 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.76 1cbu n VAL 141 Cb 0.52 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 1cbu n VAL 141 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cbu s PRO 142 N -0.26 4.33 0.12 5.55 0.05 -1.26 -4.98 135.00 138.55 1cbu s PRO 142 Ca 0.66 0.96 -0.05 0.00 0.05 0.00 0.00 61.00 62.61 1cbu s PRO 142 Cb -0.51 -2.92 -0.12 0.00 0.05 0.00 0.00 34.50 31.00 1cbu s PRO 142 CO 0.46 0.41 1.28 0.93 0.05 0.00 0.00 177.00 180.13 1cbu h GLU 143 N 3.51 0.43 -6.36 4.56 5.08 -2.00 -3.42 114.58 116.38 1cbu h GLU 143 Ca -0.48 -0.48 -0.54 0.00 -1.00 0.00 0.00 59.36 56.87 1cbu h GLU 143 Cb 1.19 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1cbu h GLU 143 CO 0.65 1.14 1.06 1.21 -1.00 0.00 0.00 179.01 182.07 1cbu s ASN 144 N -7.11 6.61 0.15 1.42 2.47 -1.26 -4.88 114.94 112.35 1cbu s ASN 144 Ca -0.06 2.40 -0.21 0.00 0.42 0.00 0.00 52.86 55.41 1cbu s ASN 144 Cb 0.08 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.38 1cbu s ASN 144 CO 0.87 -0.92 1.64 0.08 -3.72 0.00 0.00 177.10 175.06 1cbu h ARG 145 N 9.12 -0.18 -0.39 0.43 -0.00 -2.00 -1.70 114.38 119.67 1cbu h ARG 145 Ca -0.42 0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.51 1cbu h ARG 145 Cb 1.20 0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 31.19 1cbu h ARG 145 CO 0.94 -0.12 -0.01 1.25 -0.00 0.00 0.00 179.97 182.03 1cbu h LEU 146 N -0.18 0.58 -0.15 0.08 5.85 -1.93 -2.66 115.31 116.90 1cbu h LEU 146 Ca 0.14 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1cbu h LEU 146 Cb 0.40 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1cbu h LEU 146 CO -0.37 0.66 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1cbu h ALA 147 N 1.41 0.20 -0.77 1.25 0.00 -1.85 -0.08 119.26 119.42 1cbu h ALA 147 Ca 0.12 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1cbu h ALA 147 Cb 0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1cbu h ALA 147 CO 0.01 -0.11 0.30 -0.09 0.00 0.00 0.00 179.25 179.36 1cbu h ARG 148 N 0.00 0.42 -0.01 0.00 2.43 -1.14 0.13 114.38 116.21 1cbu h ARG 148 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1cbu h ARG 148 Cb 0.36 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1cbu h ARG 148 CO 0.01 0.28 -0.01 0.45 -1.51 0.00 0.00 179.97 179.18 1cbu h HIS 149 N 0.43 0.03 -0.69 2.20 3.86 -1.32 -2.95 115.15 116.71 1cbu h HIS 149 Ca 0.43 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.74 1cbu h HIS 149 Cb 0.67 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.05 1cbu h HIS 149 CO -0.17 0.48 0.27 0.35 0.86 0.00 0.00 177.93 179.72 1cbu h PHE 150 N -0.43 0.46 -0.68 2.45 3.57 0.15 0.23 116.94 122.70 1cbu h PHE 150 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1cbu h PHE 150 Cb 0.48 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1cbu h PHE 150 CO 0.09 0.09 0.41 -0.09 -2.23 0.00 0.00 178.31 176.57 1cbu h ARG 151 N 0.44 0.76 0.15 1.11 2.43 -0.80 0.24 114.38 118.71 1cbu h ARG 151 Ca 0.36 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1cbu h ARG 151 Cb 0.50 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1cbu h ARG 151 CO -0.35 0.50 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.10 1cbu h ASP 152 N 0.78 -0.17 -0.06 -3.80 3.32 -0.91 -1.06 116.42 114.52 1cbu h ASP 152 Ca 0.28 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1cbu h ASP 152 Cb 0.08 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1cbu h ASP 152 CO -0.13 0.03 -0.14 0.40 -1.72 0.00 0.00 179.24 177.68 1cbu h ILE 153 N -0.38 1.22 -0.06 0.35 2.04 -0.36 -2.37 117.51 117.95 1cbu h ILE 153 Ca -0.02 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 1cbu h ILE 153 Cb 0.30 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1cbu h ILE 153 CO 0.03 0.31 -0.48 0.00 0.00 0.00 0.00 178.15 178.01 1cbu h ALA 154 N 1.50 1.09 -0.07 1.87 0.00 -0.25 -1.46 119.26 121.94 1cbu h ALA 154 Ca 0.07 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1cbu h ALA 154 Cb 0.46 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cbu h ALA 154 CO 0.03 0.63 -0.91 0.78 0.00 0.00 0.00 179.25 179.78 1cbu h GLY 155 N 1.38 0.81 2.00 0.00 0.00 -0.83 -2.07 103.07 104.35 1cbu h GLY 155 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.03 1cbu h GLY 155 CO 0.07 1.13 -0.17 3.21 0.00 0.00 0.00 176.54 180.77 1cbu h ARG 156 N 0.45 0.00 0.08 4.80 3.08 -1.23 -1.78 114.38 119.79 1cbu h ARG 156 Ca -0.09 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 1cbu h ARG 156 Cb 1.55 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.62 1cbu h ARG 156 CO 0.18 0.17 -0.85 0.28 -1.07 0.00 0.00 179.97 178.68 1cbu h VAL 157 N 0.00 1.41 -0.48 2.04 2.07 -1.16 -2.97 116.25 117.16 1cbu h VAL 157 Ca -0.00 -2.33 0.12 0.00 0.82 0.00 0.00 66.70 65.31 1cbu h VAL 157 Cb 0.37 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1cbu h VAL 157 CO 0.02 0.68 0.34 0.78 0.02 0.00 0.00 177.57 179.41 1cbu h ASN 158 N -0.08 0.09 -0.07 0.57 2.35 -0.75 0.91 115.58 118.60 1cbu h ASN 158 Ca -0.13 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.43 1cbu h ASN 158 Cb 1.59 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.95 1cbu h ASN 158 CO 0.16 0.05 -0.66 1.56 -1.65 0.00 0.00 177.43 176.89 1cbu h GLN 159 N 0.09 0.69 -0.17 0.81 4.20 -1.32 -2.08 115.11 117.33 1cbu h GLN 159 Ca 0.23 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1cbu h GLN 159 Cb 0.79 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1cbu h GLN 159 CO -0.02 1.12 0.11 -0.09 -0.67 0.00 0.00 178.83 179.28 1cbu h ARG 160 N 0.50 0.24 -0.05 1.46 2.43 -0.67 -1.44 114.38 116.84 1cbu h ARG 160 Ca -0.02 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1cbu h ARG 160 Cb 1.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1cbu h ARG 160 CO 0.13 0.19 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.07 1cbu h LEU 161 N 0.21 0.25 -0.32 3.80 3.38 -1.49 -3.04 115.31 118.11 1cbu h LEU 161 Ca 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1cbu h LEU 161 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1cbu h LEU 161 CO -0.01 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.40 1cbu h ALA 162 N 1.17 0.43 -0.85 1.53 0.00 -1.21 0.27 119.26 120.59 1cbu h ALA 162 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cbu h ALA 162 Cb 1.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1cbu h ALA 162 CO 0.10 0.12 0.55 0.00 0.00 0.00 0.00 179.25 180.02 1cbu h ALA 163 N 0.89 1.08 0.00 0.00 0.00 -1.28 -2.81 119.26 117.14 1cbu h ALA 163 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1cbu h ALA 163 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1cbu h ALA 163 CO 0.01 0.51 -0.35 0.00 0.00 0.00 0.00 179.25 179.42 1cbu h ALA 164 N 1.30 0.80 -2.24 0.00 0.00 -1.40 -3.46 119.26 114.27 1cbu h ALA 164 Ca 0.31 -0.26 -0.49 0.00 0.00 0.00 0.00 54.91 54.47 1cbu h ALA 164 Cb -0.10 -0.03 0.19 0.00 0.00 0.00 0.00 17.79 17.85 1cbu h ALA 164 CO -0.06 0.35 0.17 0.00 0.00 0.00 0.00 179.25 179.70 1cbu s ALA 165 N -3.08 0.91 -0.17 0.00 0.00 0.93 -4.62 121.76 115.73 1cbu s ALA 165 Ca 0.05 0.27 0.14 0.00 0.00 0.00 0.00 51.96 52.42 1cbu s ALA 165 Cb 0.07 -3.35 -0.21 0.00 0.00 0.00 0.00 23.12 19.63 1cbu s ALA 165 CO 0.72 -3.00 0.05 -0.25 0.00 0.00 0.00 175.76 173.27 1cbu n ASP 166 N -4.37 0.87 -4.05 0.00 8.00 0.53 -4.94 116.55 112.59 1cbu n ASP 166 Ca 0.08 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 1cbu n ASP 166 Cb 0.53 0.86 -0.14 0.00 -0.02 0.00 0.00 41.12 42.35 1cbu n ASP 166 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1cbu s GLU 167 N -2.41 0.67 -0.05 -1.24 2.02 -1.24 -4.98 118.70 111.46 1cbu s GLU 167 Ca -0.09 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1cbu s GLU 167 Cb 0.05 -0.61 0.02 0.00 0.10 0.00 0.00 34.13 33.69 1cbu s GLU 167 CO 0.69 0.16 -0.06 0.08 0.02 0.00 0.00 175.26 176.14 1cbu s VAL 168 N -0.61 0.68 0.07 2.63 1.01 -1.26 -1.72 120.40 121.20 1cbu s VAL 168 Ca -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1cbu s VAL 168 Cb -0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1cbu s VAL 168 CO 0.00 0.26 -0.23 0.26 0.00 0.00 0.00 175.10 175.39 1cbu s TRP 169 N 0.89 2.41 -0.10 5.22 0.52 0.21 -1.01 118.94 127.07 1cbu s TRP 169 Ca -0.11 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.69 1cbu s TRP 169 Cb -0.15 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 1cbu s TRP 169 CO 0.01 0.24 -0.20 -1.17 0.02 0.00 0.00 176.95 175.84 1cbu s LEU 170 N -1.59 1.97 -0.19 2.99 2.96 0.83 -2.35 118.68 123.30 1cbu s LEU 170 Ca 0.14 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1cbu s LEU 170 Cb -0.10 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1cbu s LEU 170 CO 0.05 0.10 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 1cbu s VAL 171 N 0.59 3.45 -0.19 1.68 1.01 0.45 0.18 120.40 127.57 1cbu s VAL 171 Ca -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1cbu s VAL 171 Cb -0.17 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1cbu s VAL 171 CO 0.04 0.45 -0.01 0.54 0.00 0.00 0.00 175.10 176.12 1cbu s VAL 172 N 1.08 0.91 -1.46 2.92 0.11 0.16 -4.14 120.40 119.98 1cbu s VAL 172 Ca 0.01 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.29 1cbu s VAL 172 Cb -0.15 -1.24 0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1cbu s VAL 172 CO -0.00 -0.05 0.92 -1.20 -3.33 0.00 0.00 175.10 171.44 1cbu n SER 173 N 4.92 -5.60 0.00 3.54 7.64 -1.24 -1.85 113.62 121.03 1cbu n SER 173 Ca -0.10 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1cbu n SER 173 Cb 0.47 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1cbu n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbu n GLY 174 N -1.72 2.83 3.70 0.23 0.00 0.77 -5.00 105.19 106.01 1cbu n GLY 174 Ca -0.01 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1cbu n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cbu s ILE 175 N -2.04 5.00 0.30 -0.61 1.01 -0.77 -4.91 121.20 119.18 1cbu s ILE 175 Ca 0.00 1.48 -0.15 0.00 0.00 0.00 0.00 60.65 61.98 1cbu s ILE 175 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 1cbu s ILE 175 CO 0.00 0.18 0.72 -0.83 0.00 0.00 0.00 174.94 175.01 1cbu s GLY 176 N 0.93 2.36 -0.23 6.18 0.00 -1.26 -0.67 107.32 114.63 1cbu s GLY 176 Ca 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1cbu s GLY 176 CO 0.16 0.24 0.09 0.14 0.00 0.00 0.00 173.10 173.74 1cbu s VAL 177 N -1.92 0.12 -0.38 1.40 1.01 0.47 -4.91 120.40 116.19 1cbu s VAL 177 Ca 0.52 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1cbu s VAL 177 Cb -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1cbu s VAL 177 CO 0.18 -0.46 1.77 -0.75 0.00 0.00 0.00 175.10 175.84 1cbu s LYS 178 N 2.02 3.26 -0.00 2.72 2.20 -1.26 -0.12 119.74 128.57 1cbu s LYS 178 Ca 0.05 1.27 0.21 0.00 -0.36 0.00 0.00 55.97 57.14 1cbu s LYS 178 Cb -0.16 -4.21 -0.22 0.00 -1.51 0.00 0.00 37.83 31.73 1cbu s LYS 178 CO -0.20 -1.95 0.89 0.44 -0.36 0.00 0.00 175.35 174.17 1cbu n ILE 179 N 7.36 0.00 -1.24 5.43 -5.35 -0.18 -4.97 119.36 120.41 1cbu n ILE 179 Ca 0.22 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 1cbu n ILE 179 Cb 0.48 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1cbu n ILE 179 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96