#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuu s LYS 2 N 0.00 1.67 -0.27 0.03 -0.14 0.52 -0.53 119.74 121.02 2nuu s LYS 2 Ca 0.00 -1.31 -0.02 0.00 -1.36 0.00 0.00 55.97 53.28 2nuu s LYS 2 Cb 0.00 -2.01 0.04 0.00 -1.68 0.00 0.00 37.83 34.17 2nuu s LYS 2 CO 0.00 0.45 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.85 2nuu s LEU 3 N -2.33 3.55 -0.31 3.17 2.96 0.42 -0.50 118.68 125.65 2nuu s LEU 3 Ca 0.19 -1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 2nuu s LEU 3 Cb -0.10 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2nuu s LEU 3 CO 0.10 -0.19 0.20 -0.69 -1.32 0.00 0.00 176.35 174.45 2nuu s VAL 4 N 1.31 5.12 -0.10 1.68 1.01 -0.44 -1.67 120.40 127.31 2nuu s VAL 4 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2nuu s VAL 4 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2nuu s VAL 4 CO -0.02 0.10 -0.08 -0.89 0.00 0.00 0.00 175.10 174.21 2nuu s THR 5 N 1.71 3.56 -0.01 3.92 2.01 0.29 -1.94 115.64 125.17 2nuu s THR 5 Ca 0.06 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2nuu s THR 5 Cb -0.17 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2nuu s THR 5 CO 0.10 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.78 2nuu s VAL 6 N -0.25 0.85 -0.18 3.82 1.01 0.00 0.53 120.40 126.18 2nuu s VAL 6 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2nuu s VAL 6 Cb -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2nuu s VAL 6 CO 0.03 0.25 -0.17 -0.63 0.00 0.00 0.00 175.10 174.57 2nuu s ILE 7 N -0.13 2.33 0.38 2.22 1.01 -1.04 0.56 121.20 126.53 2nuu s ILE 7 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2nuu s ILE 7 Cb -0.05 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2nuu s ILE 7 CO -0.00 0.52 0.13 0.27 0.00 0.00 0.00 174.94 175.86 2nuu s ILE 8 N 1.28 0.59 0.17 2.92 -4.36 -0.25 -3.30 121.20 118.24 2nuu s ILE 8 Ca 0.04 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 2nuu s ILE 8 Cb -0.13 -2.42 -0.07 0.00 1.25 0.00 0.00 42.46 41.09 2nuu s ILE 8 CO -0.10 0.00 1.01 -0.54 0.24 0.00 0.00 174.94 175.54 2nuu s LYS 9 N -3.73 4.70 0.21 0.37 1.02 -1.26 -1.99 119.74 119.07 2nuu s LYS 9 Ca 0.27 1.56 -0.09 0.00 0.02 0.00 0.00 55.97 57.73 2nuu s LYS 9 Cb 0.03 -3.32 0.31 0.00 -0.52 0.00 0.00 37.83 34.34 2nuu s LYS 9 CO 0.16 0.24 1.73 -1.35 -0.92 0.00 0.00 175.35 175.20 2nuu h PRO 10 N 5.05 0.34 0.00 -1.68 0.11 -1.90 0.26 132.00 134.18 2nuu h PRO 10 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2nuu h PRO 10 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2nuu h PRO 10 CO 0.71 0.22 0.00 1.97 -0.21 0.00 0.00 178.00 180.69 2nuu n PHE 11 N -5.05 0.00 0.77 0.65 -1.74 -1.26 -1.96 117.46 108.87 2nuu n PHE 11 Ca 0.10 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.09 2nuu n PHE 11 Cb 0.31 -0.15 -0.13 0.00 1.52 0.00 0.00 39.48 41.04 2nuu n PHE 11 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2nuu n LYS 12 N -1.15 0.17 -0.25 3.97 4.76 0.92 -4.50 118.16 122.09 2nuu n LYS 12 Ca 0.04 -0.04 0.06 0.00 -2.87 0.00 0.00 58.31 55.49 2nuu n LYS 12 Cb 0.03 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 31.91 2nuu n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2nuu h LEU 13 N 0.00 0.12 -0.04 -0.35 7.12 -1.44 -1.55 115.31 119.18 2nuu h LEU 13 Ca 0.00 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2nuu h LEU 13 Cb 0.61 0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.89 2nuu h LEU 13 CO 0.00 0.01 0.02 -0.08 -0.13 0.00 0.00 178.44 178.27 2nuu h GLU 14 N 0.33 0.05 -0.58 1.25 4.57 -1.81 -1.18 114.58 117.22 2nuu h GLU 14 Ca 0.42 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.60 2nuu h GLU 14 Cb 0.69 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2nuu h GLU 14 CO -0.47 0.08 0.38 -0.44 -1.18 0.00 0.00 179.01 177.39 2nuu h ASP 15 N 0.01 0.66 -0.34 1.04 3.45 -1.66 -2.30 116.42 117.28 2nuu h ASP 15 Ca 0.01 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.34 2nuu h ASP 15 Cb 0.04 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 2nuu h ASP 15 CO -0.00 0.47 -0.25 0.58 -1.57 0.00 0.00 179.24 178.47 2nuu h VAL 16 N 0.77 1.29 -0.33 -1.35 2.07 -0.96 -2.62 116.25 115.13 2nuu h VAL 16 Ca 0.21 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2nuu h VAL 16 Cb -0.07 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2nuu h VAL 16 CO -0.05 0.46 0.18 -0.09 0.02 0.00 0.00 177.57 178.10 2nuu h ARG 17 N 0.55 0.46 -0.56 1.57 2.43 -0.71 -2.31 114.38 115.81 2nuu h ARG 17 Ca 0.07 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2nuu h ARG 17 Cb 0.82 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2nuu h ARG 17 CO 0.07 0.38 -0.09 0.93 -1.51 0.00 0.00 179.97 179.75 2nuu h GLU 18 N 0.41 1.05 0.00 0.20 5.08 -1.49 -2.25 114.58 117.58 2nuu h GLU 18 Ca 0.12 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2nuu h GLU 18 Cb 0.05 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2nuu h GLU 18 CO -0.02 1.07 -0.05 0.00 -1.00 0.00 0.00 179.01 179.01 2nuu h ALA 19 N 0.94 1.31 0.07 3.43 0.00 -1.30 -1.87 119.26 121.84 2nuu h ALA 19 Ca 0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 2nuu h ALA 19 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2nuu h ALA 19 CO 0.05 0.06 -1.54 -0.07 0.00 0.00 0.00 179.25 177.75 2nuu h LEU 20 N 0.00 0.23 -0.80 0.00 3.38 -1.09 -3.32 115.31 113.72 2nuu h LEU 20 Ca -0.00 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2nuu h LEU 20 Cb 0.17 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2nuu h LEU 20 CO 0.01 1.31 0.53 0.28 0.09 0.00 0.00 178.44 180.65 2nuu h SER 21 N 0.04 0.91 -0.60 -0.43 0.02 -0.77 -0.20 113.55 112.51 2nuu h SER 21 Ca -0.24 -0.02 0.17 0.00 -0.84 0.00 0.00 61.79 60.87 2nuu h SER 21 Cb 1.98 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 2nuu h SER 21 CO 0.13 0.65 0.60 0.28 -1.14 0.00 0.00 176.83 177.35 2nuu h SER 22 N 1.07 0.00 -0.18 3.07 0.02 -1.52 0.18 113.55 116.19 2nuu h SER 22 Ca 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2nuu h SER 22 Cb -0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2nuu h SER 22 CO -0.07 0.00 -0.02 2.30 -1.14 0.00 0.00 176.83 177.90 2nuu n ILE 23 N -3.73 2.19 -2.40 3.27 -5.35 -0.83 -4.97 119.36 107.54 2nuu n ILE 23 Ca 0.12 -2.11 -0.06 0.00 -0.27 0.00 0.00 62.75 60.43 2nuu n ILE 23 Cb 0.83 -0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.48 2nuu n ILE 23 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nuu n GLY 24 N -0.86 0.31 2.91 3.28 0.00 0.63 -5.03 105.19 106.42 2nuu n GLY 24 Ca 0.21 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2nuu n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nuu s ILE 25 N -2.62 2.00 -0.09 -0.61 1.01 -0.15 -4.90 121.20 115.84 2nuu s ILE 25 Ca 0.07 -2.49 0.11 0.00 0.00 0.00 0.00 60.65 58.34 2nuu s ILE 25 Cb -0.03 -2.45 -0.16 0.00 0.01 0.00 0.00 42.46 39.83 2nuu s ILE 25 CO 0.08 -0.71 0.12 0.00 0.00 0.00 0.00 174.94 174.43 2nuu n GLN 26 N 3.94 1.54 -2.90 2.79 1.13 -1.26 -3.03 117.38 119.58 2nuu n GLN 26 Ca 0.04 -0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 2nuu n GLN 26 Cb 0.38 -1.30 -0.05 0.00 0.11 0.00 0.00 30.24 29.38 2nuu n GLN 26 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2nuu s GLY 27 N -4.15 1.67 0.24 1.08 0.00 -1.26 -5.02 107.32 99.88 2nuu s GLY 27 Ca -0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 2nuu s GLY 27 CO 0.50 1.83 0.59 0.48 0.00 0.00 0.00 173.10 176.49 2nuu s LEU 28 N 3.10 0.00 -0.08 0.66 0.05 -1.26 -4.82 118.68 116.33 2nuu s LEU 28 Ca 0.34 -0.66 0.05 0.00 0.05 0.00 0.00 54.13 53.90 2nuu s LEU 28 Cb -0.14 2.27 -0.01 0.00 -2.05 0.00 0.00 46.19 46.26 2nuu s LEU 28 CO 0.14 -1.20 -0.24 -0.89 -0.55 0.00 0.00 176.35 173.62 2nuu s THR 29 N -3.93 2.13 -0.08 5.48 2.01 -0.64 -5.02 115.64 115.58 2nuu s THR 29 Ca 0.14 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2nuu s THR 29 Cb -0.03 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 2nuu s THR 29 CO 0.05 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.65 2nuu s VAL 30 N 0.10 2.49 -0.02 3.82 1.01 -1.26 -0.80 120.40 125.73 2nuu s VAL 30 Ca -0.11 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2nuu s VAL 30 Cb -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2nuu s VAL 30 CO 0.06 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.65 2nuu s THR 31 N -0.09 1.44 -0.28 3.92 2.01 0.92 -4.98 115.64 118.58 2nuu s THR 31 Ca -0.04 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 2nuu s THR 31 Cb -0.14 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2nuu s THR 31 CO 0.04 0.41 0.74 -0.70 -0.69 0.00 0.00 174.62 174.42 2nuu s GLU 32 N -0.35 4.05 0.32 4.92 2.12 -1.26 0.05 118.70 128.55 2nuu s GLU 32 Ca 0.05 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.05 2nuu s GLU 32 Cb -0.08 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2nuu s GLU 32 CO -0.00 -0.56 0.11 0.14 -0.54 0.00 0.00 175.26 174.41 2nuu s VAL 33 N 2.78 0.64 -0.06 3.70 -7.23 -0.68 -4.95 120.40 114.60 2nuu s VAL 33 Ca 0.31 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 2nuu s VAL 33 Cb -0.15 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2nuu s VAL 33 CO 0.10 0.00 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.18 2nuu s LYS 34 N -3.86 2.58 0.12 4.82 -0.14 -1.26 -0.80 119.74 121.19 2nuu s LYS 34 Ca 0.34 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 2nuu s LYS 34 Cb 0.06 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 2nuu s LYS 34 CO 0.15 0.53 -0.14 0.20 -0.76 0.00 0.00 175.35 175.33 2nuu s GLY 35 N -0.50 1.07 -0.08 -3.33 0.00 0.20 -4.91 107.32 99.78 2nuu s GLY 35 Ca 0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 2nuu s GLY 35 CO 0.01 -1.34 0.25 -0.12 0.00 0.00 0.00 173.10 171.91 2nuu s PHE 36 N -2.08 -0.25 0.00 1.90 5.36 -1.26 -0.21 117.98 121.44 2nuu s PHE 36 Ca 0.08 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 2nuu s PHE 36 Cb -0.05 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2nuu s PHE 36 CO 0.03 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.03 2nuu n GLY 37 N 2.65 1.12 0.22 13.12 0.00 -1.26 -4.99 105.19 116.05 2nuu n GLY 37 Ca -0.14 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2nuu n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nuu h ARG 38 N 0.00 0.79 -6.27 1.61 3.08 -2.00 -3.41 114.38 108.19 2nuu h ARG 38 Ca 0.00 -0.67 -0.56 0.00 0.07 0.00 0.00 59.98 58.82 2nuu h ARG 38 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2nuu h ARG 38 CO 0.00 1.27 0.66 -1.14 -1.07 0.00 0.00 179.97 179.69 2nuu s GLN 39 N -3.69 4.37 0.01 0.04 0.74 -1.26 -5.02 119.66 114.86 2nuu s GLN 39 Ca -0.10 1.53 0.07 0.00 0.05 0.00 0.00 55.36 56.91 2nuu s GLN 39 Cb 0.08 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 2nuu s GLN 39 CO 0.91 -0.42 -0.20 0.15 -0.55 0.00 0.00 175.29 175.18 2nuu s LYS 40 N 2.26 2.12 0.69 1.67 1.02 -1.26 -4.76 119.74 121.48 2nuu s LYS 40 Ca 0.52 -0.94 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 2nuu s LYS 40 Cb -0.21 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2nuu s LYS 40 CO 0.19 0.56 1.16 0.20 -0.92 0.00 0.00 175.35 176.53 2nuu s GLY 41 N -1.13 2.26 0.64 -3.33 0.00 -0.75 -5.00 107.32 100.02 2nuu s GLY 41 Ca 0.13 0.72 -0.16 0.00 0.00 0.00 0.00 44.72 45.41 2nuu s GLY 41 CO 0.03 1.10 1.12 0.30 0.00 0.00 0.00 173.10 175.65 2nuu s HIS 42 N -2.15 2.58 0.55 1.90 3.76 -1.26 -4.35 115.29 116.32 2nuu s HIS 42 Ca 0.71 1.55 -0.21 0.00 -0.15 0.00 0.00 55.06 56.96 2nuu s HIS 42 Cb -0.25 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 2nuu s HIS 42 CO 0.43 -1.76 1.28 0.00 -0.85 0.00 0.00 174.74 173.84 2nuu s ALA 43 N -2.20 2.73 -0.03 -1.40 0.00 -1.26 -4.64 121.76 114.97 2nuu s ALA 43 Ca 0.69 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.86 2nuu s ALA 43 Cb -0.22 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 2nuu s ALA 43 CO 0.39 -1.21 -0.17 -1.21 0.00 0.00 0.00 175.76 173.56 2nuu s GLU 44 N -3.02 1.64 -0.10 0.00 2.02 -0.08 -4.99 118.70 114.18 2nuu s GLU 44 Ca 0.73 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 55.12 2nuu s GLU 44 Cb -0.35 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.39 2nuu s GLU 44 CO 0.41 0.30 -0.19 -0.51 0.02 0.00 0.00 175.26 175.30 2nuu s LEU 45 N -0.16 1.89 -0.31 1.80 1.43 -1.26 -0.64 118.68 121.43 2nuu s LEU 45 Ca 0.01 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2nuu s LEU 45 Cb -0.10 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 45.05 2nuu s LEU 45 CO 0.01 0.09 0.10 -0.31 0.23 0.00 0.00 176.35 176.47 2nuu s TYR 46 N 0.61 1.63 0.00 0.29 2.02 -0.33 -5.02 117.35 116.56 2nuu s TYR 46 Ca -0.14 -1.70 0.00 0.00 -0.37 0.00 0.00 57.07 54.86 2nuu s TYR 46 Cb -0.16 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2nuu s TYR 46 CO 0.04 -0.87 0.00 0.54 -1.57 0.00 0.00 175.55 173.69 2nuu n ARG 47 N 4.85 0.00 0.00 -0.62 1.74 -1.26 -0.97 116.66 120.39 2nuu n ARG 47 Ca -0.02 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2nuu n ARG 47 Cb 0.42 0.00 0.53 0.00 -1.02 0.00 0.00 32.46 32.39 2nuu n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nuu n GLY 48 N 0.00 -1.35 3.72 -0.13 0.00 -1.26 -4.87 105.19 101.30 2nuu n GLY 48 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2nuu n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nuu s ALA 49 N -2.90 3.51 -0.16 4.61 0.00 -0.15 -5.08 121.76 121.60 2nuu s ALA 49 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2nuu s ALA 49 Cb 0.19 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.74 2nuu s ALA 49 CO 0.56 -0.01 -0.19 -1.83 0.00 0.00 0.00 175.76 174.29 2nuu s GLU 50 N 0.67 2.82 -0.46 0.00 -1.05 -1.26 -1.19 118.70 118.23 2nuu s GLU 50 Ca 0.23 -0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 54.20 2nuu s GLU 50 Cb -0.14 -2.39 0.12 0.00 -0.44 0.00 0.00 34.13 31.27 2nuu s GLU 50 CO 0.08 -0.14 0.32 0.71 0.95 0.00 0.00 175.26 177.19 2nuu s TYR 51 N 1.14 3.44 0.08 4.83 2.02 0.19 -4.94 117.35 124.11 2nuu s TYR 51 Ca -0.00 -1.93 0.12 0.00 -0.37 0.00 0.00 57.07 54.89 2nuu s TYR 51 Cb -0.14 -3.43 0.12 0.00 -0.40 0.00 0.00 41.96 38.11 2nuu s TYR 51 CO -0.08 -0.98 1.46 0.66 -1.57 0.00 0.00 175.55 175.04 2nuu h SER 52 N 8.40 0.00 -3.68 2.29 4.64 -1.91 -0.17 113.55 123.11 2nuu h SER 52 Ca -0.20 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.46 2nuu h SER 52 Cb 1.07 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.99 2nuu h SER 52 CO 0.83 0.69 -0.27 -0.69 -0.87 0.00 0.00 176.83 176.53 2nuu s VAL 53 N -3.09 5.16 -0.03 0.95 1.01 -1.26 -4.36 120.40 118.79 2nuu s VAL 53 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2nuu s VAL 53 Cb 0.10 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2nuu s VAL 53 CO 0.77 -0.04 0.06 0.20 0.00 0.00 0.00 175.10 176.09 2nuu s ASN 54 N 1.72 -0.04 0.62 3.32 0.01 -1.26 -5.01 114.94 114.30 2nuu s ASN 54 Ca 0.13 0.12 -0.17 0.00 -0.71 0.00 0.00 52.86 52.23 2nuu s ASN 54 Cb -0.16 0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.56 2nuu s ASN 54 CO 0.11 -0.07 1.14 -0.36 -1.51 0.00 0.00 177.10 176.42 2nuu s PHE 55 N 0.47 2.55 -0.07 2.20 0.08 -1.26 -1.81 117.98 120.14 2nuu s PHE 55 Ca -0.04 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 2nuu s PHE 55 Cb -0.05 -3.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.09 2nuu s PHE 55 CO -0.02 -1.81 0.03 -0.51 -0.10 0.00 0.00 175.22 172.81 2nuu s LEU 56 N -4.46 3.70 0.30 -0.37 2.01 0.70 -4.73 118.68 115.83 2nuu s LEU 56 Ca 0.71 0.16 -0.29 0.00 0.01 0.00 0.00 54.13 54.72 2nuu s LEU 56 Cb -0.24 -1.93 -0.10 0.00 0.01 0.00 0.00 46.19 43.94 2nuu s LEU 56 CO 0.36 0.36 1.33 -2.16 1.01 0.00 0.00 176.35 177.25 2nuu s PRO 57 N -1.10 4.34 0.20 1.29 0.04 -1.26 0.62 135.00 139.14 2nuu s PRO 57 Ca 0.15 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2nuu s PRO 57 Cb -0.11 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2nuu s PRO 57 CO 0.05 -0.23 0.25 0.15 0.04 0.00 0.00 177.00 177.25 2nuu s LYS 58 N -1.36 1.26 -0.10 4.56 -0.14 0.02 -4.48 119.74 119.50 2nuu s LYS 58 Ca 0.52 -1.42 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 2nuu s LYS 58 Cb -0.40 0.34 0.01 0.00 -1.68 0.00 0.00 37.83 36.11 2nuu s LYS 58 CO 0.50 -0.45 -0.16 0.08 -0.76 0.00 0.00 175.35 174.56 2nuu s VAL 59 N -4.07 1.51 -0.19 3.17 1.01 -0.84 -1.68 120.40 119.30 2nuu s VAL 59 Ca 0.29 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2nuu s VAL 59 Cb 0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2nuu s VAL 59 CO 0.08 0.44 0.11 -0.75 0.00 0.00 0.00 175.10 174.98 2nuu s LYS 60 N 0.90 4.08 -0.07 2.72 2.20 0.11 -1.09 119.74 128.58 2nuu s LYS 60 Ca -0.08 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 2nuu s LYS 60 Cb -0.15 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2nuu s LYS 60 CO -0.00 0.33 -0.20 0.42 -0.36 0.00 0.00 175.35 175.54 2nuu s ILE 61 N 0.26 2.50 -0.07 5.43 1.01 0.19 -0.06 121.20 130.47 2nuu s ILE 61 Ca 0.07 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2nuu s ILE 61 Cb -0.11 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 2nuu s ILE 61 CO -0.01 0.57 -0.20 -1.81 0.00 0.00 0.00 174.94 173.49 2nuu s ASP 62 N -0.19 2.52 -0.16 3.58 1.01 0.01 -0.82 116.67 122.63 2nuu s ASP 62 Ca -0.02 -0.43 -0.06 0.00 0.71 0.00 0.00 52.55 52.75 2nuu s ASP 62 Cb -0.14 -0.90 0.07 0.00 1.01 0.00 0.00 42.92 42.96 2nuu s ASP 62 CO 0.03 0.15 0.34 0.54 0.21 0.00 0.00 175.17 176.45 2nuu s VAL 63 N 0.19 -0.42 0.05 -1.27 0.11 -0.82 -1.62 120.40 116.62 2nuu s VAL 63 Ca -0.10 0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 58.91 2nuu s VAL 63 Cb -0.14 -0.55 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 2nuu s VAL 63 CO 0.05 0.08 0.75 0.00 -3.33 0.00 0.00 175.10 172.65 2nuu s ALA 64 N 2.26 3.39 0.18 1.54 0.00 -1.26 -1.33 121.76 126.54 2nuu s ALA 64 Ca -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 2nuu s ALA 64 Cb -0.11 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2nuu s ALA 64 CO -0.11 0.09 0.15 0.96 0.00 0.00 0.00 175.76 176.85 2nuu s ILE 65 N -0.13 0.03 0.53 0.00 -4.36 0.34 -4.99 121.20 112.62 2nuu s ILE 65 Ca 0.38 -1.90 -0.16 0.00 -0.26 0.00 0.00 60.65 58.71 2nuu s ILE 65 Cb -0.20 -2.32 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 2nuu s ILE 65 CO 0.23 -0.14 0.99 0.00 0.24 0.00 0.00 174.94 176.26 2nuu s ALA 66 N -4.11 3.05 0.39 2.27 0.00 -1.26 -0.36 121.76 121.74 2nuu s ALA 66 Ca 0.33 0.17 0.12 0.00 0.00 0.00 0.00 51.96 52.57 2nuu s ALA 66 Cb 0.06 -3.12 0.91 0.00 0.00 0.00 0.00 23.12 20.97 2nuu s ALA 66 CO 0.08 -0.30 1.89 -0.44 0.00 0.00 0.00 175.76 177.00 2nuu h ASP 67 N 0.79 0.55 0.58 0.00 3.32 -1.94 -2.68 116.42 117.03 2nuu h ASP 67 Ca -0.47 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 2nuu h ASP 67 Cb 1.19 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2nuu h ASP 67 CO 0.61 0.28 -0.50 -2.24 -1.72 0.00 0.00 179.24 175.68 2nuu h ASP 68 N 0.58 0.00 -0.08 6.45 2.03 -2.03 -3.14 116.42 120.23 2nuu h ASP 68 Ca 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.71 2nuu h ASP 68 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 2nuu h ASP 68 CO -0.16 0.50 0.00 0.00 -1.03 0.00 0.00 179.24 178.54 2nuu n GLN 69 N -3.83 1.43 0.23 4.15 6.02 -1.01 -4.42 117.38 119.95 2nuu n GLN 69 Ca -0.01 -0.64 -0.17 0.00 -0.01 0.00 0.00 57.00 56.17 2nuu n GLN 69 Cb 0.53 -1.38 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 2nuu n GLN 69 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2nuu h LEU 70 N 1.36 -1.39 -0.65 1.08 6.46 -1.63 -1.83 115.31 118.71 2nuu h LEU 70 Ca 0.00 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 2nuu h LEU 70 Cb 0.29 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 2nuu h LEU 70 CO 0.00 -0.61 0.38 0.44 -0.62 0.00 0.00 178.44 178.02 2nuu h ASP 71 N -0.90 0.58 -0.40 1.25 3.32 -1.85 -1.33 116.42 117.10 2nuu h ASP 71 Ca -0.05 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2nuu h ASP 71 Cb 0.81 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 2nuu h ASP 71 CO -0.12 0.39 0.11 -0.08 -1.72 0.00 0.00 179.24 177.82 2nuu h GLU 72 N 0.72 0.71 -0.00 3.56 4.81 -1.83 -2.52 114.58 120.03 2nuu h GLU 72 Ca 0.28 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2nuu h GLU 72 Cb 0.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2nuu h GLU 72 CO -0.15 0.65 -0.20 0.28 -0.73 0.00 0.00 179.01 178.87 2nuu h VAL 73 N 0.69 1.56 -0.03 0.32 2.07 -0.82 -2.24 116.25 117.81 2nuu h VAL 73 Ca 0.16 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 2nuu h VAL 73 Cb 0.27 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2nuu h VAL 73 CO -0.00 0.52 -0.11 0.16 0.02 0.00 0.00 177.57 178.16 2nuu h ILE 74 N -0.56 1.10 -0.04 4.57 -0.00 -1.27 -1.44 117.51 119.87 2nuu h ILE 74 Ca -0.02 -0.47 -0.03 0.00 -0.00 0.00 0.00 64.86 64.34 2nuu h ILE 74 Cb 0.96 1.21 0.00 0.00 -0.00 0.00 0.00 36.82 38.98 2nuu h ILE 74 CO 0.04 0.14 -0.08 -0.78 -0.00 0.00 0.00 178.15 177.47 2nuu h ASP 75 N 0.05 0.13 -0.06 2.16 3.58 -1.49 -2.74 116.42 118.05 2nuu h ASP 75 Ca 0.01 -0.56 -0.16 0.00 0.42 0.00 0.00 57.03 56.73 2nuu h ASP 75 Cb 0.23 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2nuu h ASP 75 CO 0.02 0.67 -0.53 -0.29 -2.88 0.00 0.00 179.24 176.23 2nuu h ILE 76 N -0.40 1.31 -0.51 2.25 2.10 -1.21 -3.05 117.51 118.00 2nuu h ILE 76 Ca 0.00 -1.76 -0.13 0.00 1.08 0.00 0.00 64.86 64.06 2nuu h ILE 76 Cb 0.65 1.71 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 2nuu h ILE 76 CO 0.02 0.55 -0.18 0.58 -1.08 0.00 0.00 178.15 178.04 2nuu h VAL 77 N 0.49 1.27 -0.50 2.19 2.07 -1.37 -2.09 116.25 118.31 2nuu h VAL 77 Ca 0.01 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.22 2nuu h VAL 77 Cb 1.09 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2nuu h VAL 77 CO 0.11 0.47 0.29 0.28 0.02 0.00 0.00 177.57 178.73 2nuu h SER 78 N 0.89 0.45 -0.22 0.57 0.02 -1.49 -0.71 113.55 113.05 2nuu h SER 78 Ca 0.12 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2nuu h SER 78 Cb 0.76 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2nuu h SER 78 CO 0.06 0.32 -0.13 0.11 -1.14 0.00 0.00 176.83 176.05 2nuu h LYS 79 N 0.57 0.48 0.00 3.45 1.57 -1.49 -2.32 116.57 118.83 2nuu h LYS 79 Ca 0.21 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2nuu h LYS 79 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2nuu h LYS 79 CO -0.11 0.77 -0.20 0.00 -0.57 0.00 0.00 179.45 179.33 2nuu h ALA 80 N 0.70 1.21 0.00 3.86 0.00 -1.19 -3.04 119.26 120.80 2nuu h ALA 80 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2nuu h ALA 80 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2nuu h ALA 80 CO 0.04 0.26 -1.34 0.00 0.00 0.00 0.00 179.25 178.20 2nuu n ALA 81 N -2.30 3.86 -1.81 0.00 0.00 -0.29 -4.35 120.51 115.62 2nuu n ALA 81 Ca -0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 2nuu n ALA 81 Cb 0.33 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2nuu n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2nuu s TYR 82 N -3.21 3.08 0.00 0.00 5.04 -0.88 -4.89 117.35 116.50 2nuu s TYR 82 Ca 0.02 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 2nuu s TYR 82 Cb 0.15 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.77 2nuu s TYR 82 CO 0.87 -1.96 0.00 0.25 -1.34 0.00 0.00 175.55 173.37 2nuu n THR 83 N 1.27 0.00 -0.06 4.34 -2.24 -1.26 -5.02 114.28 111.31 2nuu n THR 83 Ca 0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nuu n THR 83 Cb 0.42 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2nuu n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nuu n GLY 84 N 0.63 1.08 3.94 3.38 0.00 -1.26 -5.05 105.19 107.91 2nuu n GLY 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2nuu n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 85 N -0.62 3.47 0.16 1.61 -0.14 -1.26 -5.06 119.74 117.91 2nuu s LYS 85 Ca 0.00 -0.50 -0.33 0.00 -1.36 0.00 0.00 55.97 53.79 2nuu s LYS 85 Cb 0.00 -2.90 -0.12 0.00 -1.68 0.00 0.00 37.83 33.13 2nuu s LYS 85 CO 0.00 0.45 1.70 1.51 -0.76 0.00 0.00 175.35 178.25 2nuu n ILE 86 N -0.71 0.10 0.00 2.17 3.06 -1.26 -3.15 119.36 119.57 2nuu n ILE 86 Ca -0.06 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 2nuu n ILE 86 Cb 0.54 -1.85 0.00 0.00 0.54 0.00 0.00 39.64 38.87 2nuu n ILE 86 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2nuu n GLY 87 N 3.85 1.03 0.28 4.50 0.00 -1.26 -4.77 105.19 108.82 2nuu n GLY 87 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2nuu n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nuu h ASP 88 N 0.00 0.00 -5.00 1.61 3.32 -1.91 -3.42 116.42 111.01 2nuu h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nuu h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2nuu h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2nuu n GLY 89 N -1.47 -1.77 3.57 2.75 0.00 -1.26 -4.16 105.19 102.84 2nuu n GLY 89 Ca -0.03 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 2nuu n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 90 N -0.58 1.88 -0.11 1.61 -0.14 -1.21 -5.00 119.74 116.20 2nuu s LYS 90 Ca 0.00 -2.10 0.00 0.00 -1.36 0.00 0.00 55.97 52.51 2nuu s LYS 90 Cb 0.00 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 34.97 2nuu s LYS 90 CO 0.00 -0.21 -0.09 0.42 -0.76 0.00 0.00 175.35 174.71 2nuu s ILE 91 N -3.02 1.09 -0.05 2.17 1.01 -1.26 -2.49 121.20 118.65 2nuu s ILE 91 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2nuu s ILE 91 Cb 0.07 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 2nuu s ILE 91 CO 0.14 0.37 -0.06 -0.36 0.00 0.00 0.00 174.94 175.04 2nuu s PHE 92 N 1.48 2.96 -0.07 3.97 0.08 0.19 -4.97 117.98 121.61 2nuu s PHE 92 Ca 0.01 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.12 2nuu s PHE 92 Cb -0.13 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2nuu s PHE 92 CO -0.06 0.36 -0.16 0.08 -0.10 0.00 0.00 175.22 175.34 2nuu s VAL 93 N -0.88 1.44 0.05 -0.44 1.01 -1.26 -0.55 120.40 119.78 2nuu s VAL 93 Ca 0.14 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2nuu s VAL 93 Cb -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2nuu s VAL 93 CO 0.03 0.42 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 2nuu s ALA 94 N 0.48 0.72 -0.08 5.51 0.00 -0.67 -4.99 121.76 122.73 2nuu s ALA 94 Ca -0.14 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2nuu s ALA 94 Cb -0.16 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2nuu s ALA 94 CO 0.05 -0.02 0.87 -2.00 0.00 0.00 0.00 175.76 174.66 2nuu s GLU 95 N -1.91 4.44 -0.23 0.00 2.56 -1.26 -0.43 118.70 121.86 2nuu s GLU 95 Ca -0.06 1.16 -0.11 0.00 0.00 0.00 0.00 54.97 55.96 2nuu s GLU 95 Cb -0.08 -3.50 -0.05 0.00 2.00 0.00 0.00 34.13 32.50 2nuu s GLU 95 CO 0.00 -0.13 0.20 -0.51 -0.56 0.00 0.00 175.26 174.26 2nuu s LEU 96 N 1.40 4.13 0.15 2.70 1.43 0.31 -4.87 118.68 123.93 2nuu s LEU 96 Ca 0.44 0.19 0.11 0.00 -1.03 0.00 0.00 54.13 53.84 2nuu s LEU 96 Cb -0.18 -2.18 -0.11 0.00 0.03 0.00 0.00 46.19 43.75 2nuu s LEU 96 CO 0.20 0.05 1.23 1.56 0.23 0.00 0.00 176.35 179.61 2nuu h GLN 97 N 7.45 0.00 -1.78 1.70 4.20 -1.96 -3.34 115.11 121.38 2nuu h GLN 97 Ca -0.38 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.34 2nuu h GLN 97 Cb 1.17 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.73 2nuu h GLN 97 CO 0.67 0.71 0.36 0.50 -0.67 0.00 0.00 178.83 180.40 2nuu s ARG 98 N -2.81 0.80 -0.03 1.46 3.52 -1.26 -4.97 118.95 115.66 2nuu s ARG 98 Ca 0.01 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.91 2nuu s ARG 98 Cb 0.09 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2nuu s ARG 98 CO 0.79 -0.23 -0.02 0.08 -0.81 0.00 0.00 175.30 175.11 2nuu s VAL 99 N -0.93 0.33 -0.03 7.11 1.01 -1.26 -4.98 120.40 121.65 2nuu s VAL 99 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2nuu s VAL 99 Cb -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2nuu s VAL 99 CO 0.04 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.58 2nuu s ILE 100 N 0.85 0.86 -0.37 2.22 1.09 -1.26 -0.39 121.20 124.19 2nuu s ILE 100 Ca -0.10 -0.40 -0.21 0.00 -1.10 0.00 0.00 60.65 58.84 2nuu s ILE 100 Cb -0.13 -0.76 0.01 0.00 -1.06 0.00 0.00 42.46 40.52 2nuu s ILE 100 CO -0.01 0.26 0.68 -0.60 -0.10 0.00 0.00 174.94 175.17 2nuu s ARG 101 N 0.18 3.66 0.20 2.79 3.52 -0.46 -4.97 118.95 123.87 2nuu s ARG 101 Ca -0.03 0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.52 2nuu s ARG 101 Cb -0.09 -3.82 0.22 0.00 -1.56 0.00 0.00 34.95 29.70 2nuu s ARG 101 CO 0.01 -0.79 1.65 0.82 -0.81 0.00 0.00 175.30 176.18 2nuu h ILE 102 N 5.72 0.48 -0.86 4.11 2.04 -1.95 0.32 117.51 127.37 2nuu h ILE 102 Ca -0.26 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.67 2nuu h ILE 102 Cb 1.10 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2nuu h ILE 102 CO 0.86 0.01 0.56 -0.09 0.00 0.00 0.00 178.15 179.49 2nuu h ARG 103 N 0.04 0.85 0.00 2.37 2.43 -1.99 -3.33 114.38 114.76 2nuu h ARG 103 Ca 0.28 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2nuu h ARG 103 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2nuu h ARG 103 CO -0.54 0.56 -0.54 0.25 -1.51 0.00 0.00 179.97 178.19 2nuu n THR 104 N -4.51 0.00 -1.02 0.20 -2.24 -1.08 -5.02 114.28 100.61 2nuu n THR 104 Ca 0.14 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 2nuu n THR 104 Cb 0.27 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2nuu n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nuu n GLY 105 N 1.76 0.47 3.77 3.38 0.00 0.11 -5.02 105.19 109.66 2nuu n GLY 105 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2nuu n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuu s GLU 106 N -1.24 4.26 0.29 1.61 2.02 -1.25 -4.79 118.70 119.60 2nuu s GLU 106 Ca 0.00 1.61 0.07 0.00 0.02 0.00 0.00 54.97 56.67 2nuu s GLU 106 Cb 0.00 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2nuu s GLU 106 CO 0.00 -0.08 0.29 0.00 0.02 0.00 0.00 175.26 175.49 2nuu s ALA 107 N -1.51 3.81 0.00 5.21 0.00 -1.26 -1.36 121.76 126.65 2nuu s ALA 107 Ca 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2nuu s ALA 107 Cb -0.25 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2nuu s ALA 107 CO 0.32 0.12 0.00 -0.25 0.00 0.00 0.00 175.76 175.95 2nuu n ASP 108 N -1.34 0.00 0.04 0.00 9.92 0.47 -1.03 116.55 124.61 2nuu n ASP 108 Ca -0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.35 2nuu n ASP 108 Cb 0.58 0.00 0.60 0.00 -0.64 0.00 0.00 41.12 41.66 2nuu n ASP 108 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2nuu h GLU 109 N 0.00 0.17 0.00 -1.24 3.07 -1.96 -0.63 114.58 113.99 2nuu h GLU 109 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2nuu h GLU 109 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2nuu h GLU 109 CO 0.00 0.11 0.00 0.00 -1.40 0.00 0.00 179.01 177.72 2nuu n ALA 110 N -2.56 2.19 0.38 3.43 0.00 -0.20 -3.45 120.51 120.30 2nuu n ALA 110 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2nuu n ALA 110 Cb 0.36 -1.45 0.21 0.00 0.00 0.00 0.00 19.45 18.57 2nuu n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nuu h ALA 111 N 2.61 0.86 -0.03 0.00 0.00 -0.94 -3.44 119.26 118.32 2nuu h ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 111 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2nuu h ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53