#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 1.40 -0.16 0.03 -0.14 -0.09 -0.74 119.74 120.04 2nuu s LYS 2 Ca 0.00 -1.44 0.01 0.00 -1.36 0.00 0.00 55.97 53.17 2nuu s LYS 2 Cb 0.00 -1.66 0.01 0.00 -1.68 0.00 0.00 37.83 34.50 2nuu s LYS 2 CO 0.00 0.36 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.60 2nuu s LEU 3 N -2.55 2.28 -0.20 3.17 2.96 0.47 -0.56 118.68 124.24 2nuu s LEU 3 Ca 0.17 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2nuu s LEU 3 Cb -0.08 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 2nuu s LEU 3 CO 0.08 0.05 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.41 2nuu s VAL 4 N 1.03 3.33 -0.12 1.68 1.01 0.15 -1.68 120.40 125.80 2nuu s VAL 4 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2nuu s VAL 4 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2nuu s VAL 4 CO -0.05 0.45 -0.18 -0.89 0.00 0.00 0.00 175.10 174.43 2nuu s THR 5 N 1.24 2.61 -0.05 3.92 2.01 0.01 -0.22 115.64 125.16 2nuu s THR 5 Ca 0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.25 2nuu s THR 5 Cb -0.14 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.31 2nuu s THR 5 CO -0.02 0.54 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 2nuu s VAL 6 N 0.38 1.33 -0.22 3.82 1.01 -0.03 0.62 120.40 127.31 2nuu s VAL 6 Ca -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2nuu s VAL 6 Cb -0.17 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2nuu s VAL 6 CO 0.07 0.39 -0.07 -0.63 0.00 0.00 0.00 175.10 174.86 2nuu s ILE 7 N 0.27 3.01 0.30 2.22 1.01 -0.70 -0.45 121.20 126.86 2nuu s ILE 7 Ca -0.08 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2nuu s ILE 7 Cb -0.13 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2nuu s ILE 7 CO 0.03 0.37 0.20 2.30 0.00 0.00 0.00 174.94 177.84 2nuu n ILE 8 N 4.73 0.00 -2.76 2.92 -5.35 -0.65 -2.02 119.36 116.23 2nuu n ILE 8 Ca -0.18 -2.05 -0.41 0.00 -0.27 0.00 0.00 62.75 59.84 2nuu n ILE 8 Cb 0.49 0.92 -0.04 0.00 -1.74 0.00 0.00 39.64 39.28 2nuu n ILE 8 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2nuu s LYS 9 N -3.21 4.60 0.33 6.28 1.02 -1.26 -1.12 119.74 126.37 2nuu s LYS 9 Ca 0.28 1.37 0.11 0.00 0.02 0.00 0.00 55.97 57.75 2nuu s LYS 9 Cb 0.01 -3.42 0.95 0.00 -0.52 0.00 0.00 37.83 34.86 2nuu s LYS 9 CO 0.20 0.08 1.69 -1.35 -0.92 0.00 0.00 175.35 175.05 2nuu h PRO 10 N 6.27 0.43 0.00 -1.68 0.11 -1.89 -0.33 132.00 134.90 2nuu h PRO 10 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2nuu h PRO 10 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2nuu h PRO 10 CO 0.74 0.29 0.00 1.97 -0.21 0.00 0.00 178.00 180.78 2nuu n PHE 11 N -4.98 0.22 -1.27 0.65 -1.74 -1.26 -2.84 117.46 106.24 2nuu n PHE 11 Ca 0.28 0.10 -0.13 0.00 -0.56 0.00 0.00 57.45 57.14 2nuu n PHE 11 Cb 0.84 -0.65 0.21 0.00 1.52 0.00 0.00 39.48 41.39 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 -1.71 2.34 -0.05 3.97 5.02 -0.14 -4.57 118.16 123.03 2nuu n LYS 12 Ca 0.02 -3.08 -0.12 0.00 -2.02 0.00 0.00 58.31 53.11 2nuu n LYS 12 Cb 0.12 -2.04 -0.10 0.00 -0.02 0.00 0.00 35.03 32.99 2nuu n LYS 12 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2nuu h LEU 13 N 1.27 -0.02 -0.66 -0.35 6.46 -1.68 -3.28 115.31 117.06 2nuu h LEU 13 Ca 0.41 -0.73 0.13 0.00 -0.12 0.00 0.00 57.88 57.57 2nuu h LEU 13 Cb 2.30 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 42.13 2nuu h LEU 13 CO 0.76 0.80 0.12 -0.08 -0.62 0.00 0.00 178.44 179.41 2nuu h GLU 14 N -0.92 0.22 0.17 1.25 4.57 -1.85 -0.97 114.58 117.06 2nuu h GLU 14 Ca -0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2nuu h GLU 14 Cb 0.76 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2nuu h GLU 14 CO 0.00 0.15 -0.20 -0.44 -1.18 0.00 0.00 179.01 177.34 2nuu h ASP 15 N 0.23 -0.55 -0.19 1.04 3.32 -1.88 -1.35 116.42 117.03 2nuu h ASP 15 Ca 0.36 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 2nuu h ASP 15 Cb 0.57 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2nuu h ASP 15 CO -0.48 -0.30 -0.03 0.58 -1.72 0.00 0.00 179.24 177.30 2nuu h VAL 16 N -0.42 1.20 -0.06 -1.35 2.07 -1.54 -0.22 116.25 115.94 2nuu h VAL 16 Ca 0.01 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2nuu h VAL 16 Cb 0.41 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2nuu h VAL 16 CO -0.07 0.27 0.03 -0.09 0.02 0.00 0.00 177.57 177.73 2nuu h ARG 17 N 0.47 0.08 -0.61 1.57 2.43 -0.90 -0.76 114.38 116.66 2nuu h ARG 17 Ca 0.10 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2nuu h ARG 17 Cb 0.35 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2nuu h ARG 17 CO 0.01 0.15 0.04 0.93 -1.51 0.00 0.00 179.97 179.59 2nuu h GLU 18 N -0.01 1.04 -0.69 0.20 5.08 -0.89 -2.16 114.58 117.15 2nuu h GLU 18 Ca 0.02 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2nuu h GLU 18 Cb 0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2nuu h GLU 18 CO -0.00 0.99 0.35 0.00 -1.00 0.00 0.00 179.01 179.35 2nuu h ALA 19 N 1.07 0.88 -0.44 3.43 0.00 -0.85 0.04 119.26 123.39 2nuu h ALA 19 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2nuu h ALA 19 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2nuu h ALA 19 CO 0.02 0.42 0.03 -0.07 0.00 0.00 0.00 179.25 179.66 2nuu h LEU 20 N 0.95 0.65 -0.84 0.00 4.07 -0.98 -2.24 115.31 116.92 2nuu h LEU 20 Ca 0.24 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 2nuu h LEU 20 Cb 0.08 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2nuu h LEU 20 CO -0.03 0.70 -0.35 0.28 -1.08 0.00 0.00 178.44 177.95 2nuu h SER 21 N 0.66 0.45 -0.01 -0.43 0.02 -0.66 0.73 113.55 114.31 2nuu h SER 21 Ca 0.14 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2nuu h SER 21 Cb 0.36 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2nuu h SER 21 CO 0.01 0.78 0.01 0.28 -1.14 0.00 0.00 176.83 176.76 2nuu h SER 22 N 0.37 0.00 -0.49 3.07 0.02 -0.40 -1.88 113.55 114.25 2nuu h SER 22 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2nuu h SER 22 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2nuu h SER 22 CO 0.06 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 178.05 2nuu n ILE 23 N -4.22 1.16 -0.77 3.27 -5.35 -1.05 -4.98 119.36 107.41 2nuu n ILE 23 Ca -0.03 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 2nuu n ILE 23 Cb 0.10 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 0.85 0.54 3.17 3.28 0.00 -0.71 -5.05 105.19 107.27 2nuu n GLY 24 Ca 0.17 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 3.88 -0.07 -0.61 1.01 0.22 -4.93 121.20 118.70 2nuu s ILE 25 Ca 0.00 -2.11 0.14 0.00 0.00 0.00 0.00 60.65 58.68 2nuu s ILE 25 Cb 0.00 -3.57 -0.22 0.00 0.01 0.00 0.00 42.46 38.68 2nuu s ILE 25 CO 0.00 -0.78 0.63 0.00 0.00 0.00 0.00 174.94 174.79 2nuu n GLN 26 N 4.51 0.64 -3.23 2.79 1.13 -1.26 -3.59 117.38 118.36 2nuu n GLN 26 Ca -0.02 0.25 -0.39 0.00 -1.94 0.00 0.00 57.00 54.90 2nuu n GLN 26 Cb 0.41 -1.77 -0.06 0.00 0.11 0.00 0.00 30.24 28.93 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 -5.09 2.54 0.13 1.08 0.00 -1.26 -5.04 107.32 99.68 2nuu s GLY 27 Ca -0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 2nuu s GLY 27 CO 0.82 0.78 0.93 0.48 0.00 0.00 0.00 173.10 176.12 2nuu s LEU 28 N 0.12 -0.22 -0.03 0.66 0.05 -1.26 -4.76 118.68 113.24 2nuu s LEU 28 Ca 0.30 -0.33 0.05 0.00 0.05 0.00 0.00 54.13 54.21 2nuu s LEU 28 Cb -0.17 2.16 -0.01 0.00 -2.05 0.00 0.00 46.19 46.12 2nuu s LEU 28 CO 0.15 -0.87 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.00 2nuu s THR 29 N -3.28 1.54 0.01 5.48 2.01 -1.10 -5.01 115.64 115.28 2nuu s THR 29 Ca 0.11 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2nuu s THR 29 Cb -0.01 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 2nuu s THR 29 CO 0.00 0.44 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.48 2nuu s VAL 30 N -0.27 1.53 0.01 3.82 1.01 -1.26 -1.15 120.40 124.08 2nuu s VAL 30 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2nuu s VAL 30 Cb -0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2nuu s VAL 30 CO 0.01 0.33 -0.06 -0.89 0.00 0.00 0.00 175.10 174.49 2nuu s THR 31 N -0.58 0.42 -0.18 3.92 2.01 -0.15 -4.98 115.64 116.10 2nuu s THR 31 Ca 0.07 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 2nuu s THR 31 Cb -0.08 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 2nuu s THR 31 CO 0.00 0.00 0.64 -0.70 -0.69 0.00 0.00 174.62 173.88 2nuu s GLU 32 N -0.43 4.25 0.33 4.92 2.12 -1.26 -0.57 118.70 128.07 2nuu s GLU 32 Ca -0.01 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.01 2nuu s GLU 32 Cb -0.04 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2nuu s GLU 32 CO -0.00 -0.19 0.09 0.14 -0.54 0.00 0.00 175.26 174.76 2nuu s VAL 33 N 1.73 0.90 -0.14 3.70 -7.23 -0.07 -4.95 120.40 114.33 2nuu s VAL 33 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2nuu s VAL 33 Cb -0.16 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2nuu s VAL 33 CO 0.11 0.00 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.18 2nuu s LYS 34 N -3.87 3.14 0.03 4.82 -0.14 -1.26 -0.49 119.74 121.97 2nuu s LYS 34 Ca 0.33 -0.80 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 2nuu s LYS 34 Cb 0.07 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 2nuu s LYS 34 CO 0.15 0.03 -0.15 0.20 -0.76 0.00 0.00 175.35 174.82 2nuu s GLY 35 N 0.75 1.61 0.01 -3.33 0.00 0.30 -4.87 107.32 101.79 2nuu s GLY 35 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2nuu s GLY 35 CO 0.00 -1.04 -0.02 -0.12 0.00 0.00 0.00 173.10 171.92 2nuu s PHE 36 N -0.94 0.21 0.00 1.90 5.36 -1.26 -0.27 117.98 122.97 2nuu s PHE 36 Ca 0.15 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 2nuu s PHE 36 Cb -0.11 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 2nuu s PHE 36 CO 0.06 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 2nuu n GLY 37 N 2.48 -0.27 0.11 13.12 0.00 -1.26 -5.00 105.19 114.38 2nuu n GLY 37 Ca -0.17 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 0.27 -5.77 1.61 3.08 -2.01 -3.41 114.38 108.14 2nuu h ARG 38 Ca 0.00 -0.29 -0.59 0.00 0.07 0.00 0.00 59.98 59.17 2nuu h ARG 38 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 2nuu h ARG 38 CO 0.00 1.01 0.22 -1.14 -1.07 0.00 0.00 179.97 178.99 2nuu s GLN 39 N -3.10 4.25 0.27 0.04 0.74 -1.26 -5.03 119.66 115.56 2nuu s GLN 39 Ca -0.15 0.77 0.07 0.00 0.05 0.00 0.00 55.36 56.10 2nuu s GLN 39 Cb 0.02 -3.57 -0.06 0.00 1.10 0.00 0.00 33.01 30.50 2nuu s GLN 39 CO 0.78 -0.27 -0.07 -1.59 -0.55 0.00 0.00 175.29 173.59 2nuu s LYS 40 N 1.98 1.51 0.76 1.67 -2.85 -1.26 -4.79 119.74 116.75 2nuu s LYS 40 Ca 0.32 -1.75 -0.15 0.00 -1.00 0.00 0.00 55.97 53.40 2nuu s LYS 40 Cb -0.16 -1.14 0.05 0.00 -2.06 0.00 0.00 37.83 34.52 2nuu s LYS 40 CO 0.11 0.06 1.24 0.20 0.10 0.00 0.00 175.35 177.06 2nuu s GLY 41 N -3.42 2.40 0.08 0.59 0.00 -1.03 -5.01 107.32 100.95 2nuu s GLY 41 Ca 0.28 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 45.72 2nuu s GLY 41 CO 0.11 1.41 0.82 0.30 0.00 0.00 0.00 173.10 175.74 2nuu s HIS 42 N -1.88 3.79 0.46 1.90 0.09 -1.26 -4.53 115.29 113.86 2nuu s HIS 42 Ca 0.77 1.59 -0.22 0.00 -0.00 0.00 0.00 55.06 57.20 2nuu s HIS 42 Cb -0.32 -2.88 -0.11 0.00 -0.00 0.00 0.00 32.58 29.28 2nuu s HIS 42 CO 0.47 0.30 0.68 0.00 -0.00 0.00 0.00 174.74 176.19 2nuu n ALA 43 N 2.59 -0.91 -2.97 -1.40 0.00 -1.26 -4.86 120.51 111.70 2nuu n ALA 43 Ca -0.02 0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 2nuu n ALA 43 Cb 0.50 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 2nuu n ALA 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2nuu s GLU 44 N -1.85 0.64 -0.11 0.00 -1.05 -0.03 -4.99 118.70 111.30 2nuu s GLU 44 Ca 0.65 -0.21 0.01 0.00 -0.15 0.00 0.00 54.97 55.27 2nuu s GLU 44 Cb -0.55 -0.63 -0.02 0.00 -0.44 0.00 0.00 34.13 32.49 2nuu s GLU 44 CO 0.56 0.09 -0.13 -1.17 0.95 0.00 0.00 175.26 175.57 2nuu s LEU 45 N 0.12 2.77 -0.27 1.83 2.96 -1.26 -0.76 118.68 124.07 2nuu s LEU 45 Ca -0.01 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2nuu s LEU 45 Cb -0.06 -1.61 0.09 0.00 0.50 0.00 0.00 46.19 45.11 2nuu s LEU 45 CO -0.00 0.22 0.09 -0.31 -1.32 0.00 0.00 176.35 175.03 2nuu s TYR 46 N 0.03 1.22 0.00 5.38 2.02 -0.88 -5.03 117.35 120.08 2nuu s TYR 46 Ca -0.04 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.35 2nuu s TYR 46 Cb -0.14 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2nuu s TYR 46 CO 0.04 -0.80 0.00 0.54 -1.57 0.00 0.00 175.55 173.77 2nuu n ARG 47 N 4.99 0.00 0.21 -0.62 1.74 -1.26 -1.63 116.66 120.09 2nuu n ARG 47 Ca -0.05 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.13 2nuu n ARG 47 Cb 0.43 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.18 2nuu n ARG 47 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2nuu h GLY 48 N 0.00 0.00 -2.80 -0.13 0.00 -2.03 -3.46 103.07 94.65 2nuu h GLY 48 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2nuu h GLY 48 CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 176.54 176.94 2nuu s ALA 49 N -3.36 3.11 -0.05 3.60 0.00 -0.65 -5.07 121.76 119.34 2nuu s ALA 49 Ca 0.03 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2nuu s ALA 49 Cb 0.08 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2nuu s ALA 49 CO 0.66 -0.15 -0.15 -1.21 0.00 0.00 0.00 175.76 174.91 2nuu s GLU 50 N -2.44 1.70 -0.24 0.00 2.02 -1.26 -2.08 118.70 116.40 2nuu s GLU 50 Ca 0.57 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2nuu s GLU 50 Cb -0.21 -1.46 0.06 0.00 0.10 0.00 0.00 34.13 32.62 2nuu s GLU 50 CO 0.27 0.17 -0.03 0.71 0.02 0.00 0.00 175.26 176.40 2nuu s TYR 51 N 0.21 2.29 -0.17 1.61 2.02 0.06 -5.01 117.35 118.37 2nuu s TYR 51 Ca -0.07 -1.72 -0.22 0.00 -0.37 0.00 0.00 57.07 54.69 2nuu s TYR 51 Cb -0.12 -1.59 -0.22 0.00 -0.40 0.00 0.00 41.96 39.63 2nuu s TYR 51 CO 0.03 -0.77 0.41 0.66 -1.57 0.00 0.00 175.55 174.30 2nuu h SER 52 N 7.97 0.08 -3.26 2.29 4.64 -1.94 -0.05 113.55 123.29 2nuu h SER 52 Ca -0.17 -0.70 -0.57 0.00 -0.47 0.00 0.00 61.79 59.89 2nuu h SER 52 Cb 1.07 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 2nuu h SER 52 CO 0.41 1.42 0.99 -0.69 -0.87 0.00 0.00 176.83 178.09 2nuu s VAL 53 N -2.36 4.10 0.08 0.95 1.01 -1.26 -4.29 120.40 118.64 2nuu s VAL 53 Ca -0.25 1.19 0.03 0.00 0.00 0.00 0.00 61.98 62.95 2nuu s VAL 53 Cb 0.04 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2nuu s VAL 53 CO 0.65 -0.63 -0.08 0.20 0.00 0.00 0.00 175.10 175.24 2nuu s ASN 54 N 3.03 1.20 0.26 3.32 -0.87 -1.26 -5.05 114.94 115.58 2nuu s ASN 54 Ca 0.56 -0.82 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 2nuu s ASN 54 Cb -0.14 0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 41.10 2nuu s ASN 54 CO 0.27 -0.32 0.43 -0.36 -2.57 0.00 0.00 177.10 174.54 2nuu s PHE 55 N -2.63 3.48 -0.10 2.20 0.08 -1.26 -2.45 117.98 117.30 2nuu s PHE 55 Ca 0.04 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.29 2nuu s PHE 55 Cb -0.02 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 2nuu s PHE 55 CO -0.02 0.32 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.80 2nuu s LEU 56 N -3.91 2.83 0.09 -0.37 1.43 0.62 -4.60 118.68 114.78 2nuu s LEU 56 Ca 0.37 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.94 2nuu s LEU 56 Cb -0.10 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 2nuu s LEU 56 CO 0.31 0.25 1.49 -2.16 0.23 0.00 0.00 176.35 176.47 2nuu s PRO 57 N -0.15 4.26 0.29 1.29 0.04 -1.26 0.11 135.00 139.57 2nuu s PRO 57 Ca 0.00 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2nuu s PRO 57 Cb -0.13 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 2nuu s PRO 57 CO 0.03 -0.56 0.06 0.15 0.04 0.00 0.00 177.00 176.72 2nuu s LYS 58 N 1.69 1.52 -0.13 4.56 -0.14 0.36 -4.47 119.74 123.12 2nuu s LYS 58 Ca 0.68 -1.82 0.01 0.00 -1.36 0.00 0.00 55.97 53.47 2nuu s LYS 58 Cb -0.38 -0.63 0.02 0.00 -1.68 0.00 0.00 37.83 35.16 2nuu s LYS 58 CO 0.30 -0.20 -0.14 0.08 -0.76 0.00 0.00 175.35 174.63 2nuu s VAL 59 N -3.46 1.49 -0.24 3.17 1.01 -0.28 -0.89 120.40 121.20 2nuu s VAL 59 Ca 0.35 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2nuu s VAL 59 Cb 0.08 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2nuu s VAL 59 CO 0.14 0.44 0.30 -0.75 0.00 0.00 0.00 175.10 175.23 2nuu s LYS 60 N 1.39 4.07 -0.17 2.72 2.20 0.27 -1.64 119.74 128.57 2nuu s LYS 60 Ca 0.02 -0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2nuu s LYS 60 Cb -0.13 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2nuu s LYS 60 CO -0.08 -0.11 -0.04 0.42 -0.36 0.00 0.00 175.35 175.18 2nuu s ILE 61 N 1.56 3.75 -0.30 5.43 1.01 0.40 -0.98 121.20 132.08 2nuu s ILE 61 Ca 0.13 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2nuu s ILE 61 Cb -0.15 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.73 2nuu s ILE 61 CO 0.08 0.48 -0.03 -1.81 0.00 0.00 0.00 174.94 173.66 2nuu s ASP 62 N 0.61 4.70 -0.17 3.58 1.01 -0.30 -0.85 116.67 125.25 2nuu s ASP 62 Ca -0.03 -1.51 0.01 0.00 0.71 0.00 0.00 52.55 51.74 2nuu s ASP 62 Cb -0.14 -1.64 0.02 0.00 1.01 0.00 0.00 42.92 42.17 2nuu s ASP 62 CO 0.02 -0.27 -0.20 0.54 0.21 0.00 0.00 175.17 175.48 2nuu s VAL 63 N 1.13 1.99 0.05 -1.27 0.11 0.69 -2.69 120.40 120.40 2nuu s VAL 63 Ca -0.04 -0.91 -0.24 0.00 -2.93 0.00 0.00 61.98 57.87 2nuu s VAL 63 Cb -0.20 -1.79 -0.06 0.00 -1.53 0.00 0.00 36.38 32.80 2nuu s VAL 63 CO -0.04 0.53 0.72 0.00 -3.33 0.00 0.00 175.10 172.98 2nuu s ALA 64 N 1.20 3.41 0.21 1.54 0.00 -1.26 -0.67 121.76 126.18 2nuu s ALA 64 Ca 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 2nuu s ALA 64 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2nuu s ALA 64 CO -0.10 0.12 0.22 0.96 0.00 0.00 0.00 175.76 176.96 2nuu s ILE 65 N -0.24 0.01 0.53 0.00 -4.36 0.28 -4.98 121.20 112.44 2nuu s ILE 65 Ca 0.36 -1.83 -0.17 0.00 -0.26 0.00 0.00 60.65 58.75 2nuu s ILE 65 Cb -0.20 -2.39 -0.07 0.00 1.25 0.00 0.00 42.46 41.05 2nuu s ILE 65 CO 0.22 -0.03 1.00 0.00 0.24 0.00 0.00 174.94 176.37 2nuu s ALA 66 N -4.12 2.99 0.27 2.27 0.00 -1.26 -0.91 121.76 120.99 2nuu s ALA 66 Ca 0.34 0.24 0.35 0.00 0.00 0.00 0.00 51.96 52.89 2nuu s ALA 66 Cb 0.05 -3.15 1.61 0.00 0.00 0.00 0.00 23.12 21.63 2nuu s ALA 66 CO 0.11 -0.36 2.08 -0.44 0.00 0.00 0.00 175.76 177.14 2nuu h ASP 67 N 0.84 0.00 -0.03 0.00 5.19 -1.94 -2.30 116.42 118.17 2nuu h ASP 67 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2nuu h ASP 67 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2nuu h ASP 67 CO 0.60 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.85 2nuu n ASP 68 N -3.15 1.13 -0.00 6.45 5.75 -1.26 -3.48 116.55 121.98 2nuu n ASP 68 Ca -0.00 -1.41 0.09 0.00 -0.01 0.00 0.00 54.79 53.45 2nuu n ASP 68 Cb 0.25 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.22 2nuu n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nuu n GLN 69 N -0.11 1.00 -0.19 0.11 6.02 -0.87 -4.76 117.38 118.59 2nuu n GLN 69 Ca 0.20 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.05 2nuu n GLN 69 Cb 0.29 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 0.00 -1.49 -1.26 1.08 7.12 -1.60 -1.77 115.31 117.38 2nuu h LEU 70 Ca 0.00 0.21 0.03 0.00 0.13 0.00 0.00 57.88 58.25 2nuu h LEU 70 Cb 0.53 0.63 -0.04 0.00 -0.53 0.00 0.00 40.66 41.25 2nuu h LEU 70 CO 0.00 -0.25 0.51 0.44 -0.13 0.00 0.00 178.44 179.02 2nuu h ASP 71 N -0.18 0.83 -0.44 1.25 3.32 -1.86 -2.42 116.42 116.92 2nuu h ASP 71 Ca 0.08 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2nuu h ASP 71 Cb 0.39 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2nuu h ASP 71 CO -0.55 0.57 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.45 2nuu h GLU 72 N 0.96 0.85 0.43 3.56 4.81 -1.75 -3.07 114.58 120.36 2nuu h GLU 72 Ca 0.31 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2nuu h GLU 72 Cb 0.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2nuu h GLU 72 CO -0.09 0.86 -0.20 0.28 -0.73 0.00 0.00 179.01 179.12 2nuu h VAL 73 N 0.79 0.06 -0.98 0.32 2.07 -0.89 -2.83 116.25 114.79 2nuu h VAL 73 Ca 0.15 -0.60 0.27 0.00 0.82 0.00 0.00 66.70 67.34 2nuu h VAL 73 Cb 0.49 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.22 2nuu h VAL 73 CO 0.02 0.01 0.54 0.16 0.02 0.00 0.00 177.57 178.32 2nuu h ILE 74 N -1.14 0.42 0.69 4.57 -0.00 -1.54 0.10 117.51 120.62 2nuu h ILE 74 Ca -0.06 -0.15 -0.03 0.00 -0.00 0.00 0.00 64.86 64.62 2nuu h ILE 74 Cb 0.46 -0.05 0.01 0.00 -0.00 0.00 0.00 36.82 37.24 2nuu h ILE 74 CO 0.10 0.08 -0.33 -0.78 -0.00 0.00 0.00 178.15 177.22 2nuu h ASP 75 N 0.44 -0.78 0.05 2.16 3.58 -1.61 -1.19 116.42 119.06 2nuu h ASP 75 Ca 0.66 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.12 2nuu h ASP 75 Cb 1.37 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.62 2nuu h ASP 75 CO -0.54 -0.40 -0.04 -0.29 -2.88 0.00 0.00 179.24 175.08 2nuu h ILE 76 N -1.22 0.96 0.07 2.25 6.09 -1.14 -1.96 117.51 122.56 2nuu h ILE 76 Ca -0.09 -0.15 -0.27 0.00 -1.37 0.00 0.00 64.86 62.98 2nuu h ILE 76 Cb 0.72 1.08 0.02 0.00 0.47 0.00 0.00 36.82 39.12 2nuu h ILE 76 CO 0.16 0.04 -1.08 0.58 -3.07 0.00 0.00 178.15 174.78 2nuu h VAL 77 N 0.00 1.31 0.22 2.19 2.07 -0.84 -2.32 116.25 118.89 2nuu h VAL 77 Ca -0.00 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 2nuu h VAL 77 Cb 0.08 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2nuu h VAL 77 CO 0.01 0.71 -0.16 0.28 0.02 0.00 0.00 177.57 178.42 2nuu h SER 78 N 0.24 -0.42 -0.33 0.57 0.02 -0.71 0.15 113.55 113.07 2nuu h SER 78 Ca -0.15 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2nuu h SER 78 Cb 1.76 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 2nuu h SER 78 CO 0.21 -0.26 0.19 0.11 -1.14 0.00 0.00 176.83 175.94 2nuu h LYS 79 N -0.39 0.45 -0.64 3.45 1.57 -1.48 -1.44 116.57 118.10 2nuu h LYS 79 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2nuu h LYS 79 Cb 0.34 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2nuu h LYS 79 CO -0.00 0.36 0.16 0.00 -0.57 0.00 0.00 179.45 179.39 2nuu h ALA 80 N 1.07 0.84 -0.01 3.86 0.00 -1.26 -3.00 119.26 120.76 2nuu h ALA 80 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2nuu h ALA 80 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2nuu h ALA 80 CO -0.02 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 2nuu n ALA 81 N -2.43 2.76 -1.91 0.00 0.00 0.51 -4.50 120.51 114.94 2nuu n ALA 81 Ca 0.04 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2nuu n ALA 81 Cb 0.25 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.31 3.58 0.00 0.00 5.04 -0.55 -4.91 117.35 118.20 2nuu s TYR 82 Ca 0.33 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2nuu s TYR 82 Cb 0.20 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.22 2nuu s TYR 82 CO 0.44 -0.63 0.00 0.25 -1.34 0.00 0.00 175.55 174.27 2nuu n THR 83 N 1.81 0.00 0.00 4.34 -2.24 -1.26 -5.04 114.28 111.89 2nuu n THR 83 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2nuu n THR 83 Cb 0.45 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 2.58 1.63 3.77 3.38 0.00 -1.26 -5.08 105.19 110.20 2nuu n GLY 84 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.23 0.44 1.61 1.02 -1.26 -5.02 119.74 118.76 2nuu s LYS 85 Ca 0.00 1.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.87 2nuu s LYS 85 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2nuu s LYS 85 CO 0.00 -1.65 1.21 0.96 -0.92 0.00 0.00 175.35 174.95 2nuu s ILE 86 N -2.92 2.94 0.00 2.17 -5.25 -1.26 -3.40 121.20 113.48 2nuu s ILE 86 Ca 0.61 0.76 0.00 0.00 -0.99 0.00 0.00 60.65 61.03 2nuu s ILE 86 Cb -0.17 -3.41 0.00 0.00 2.95 0.00 0.00 42.46 41.83 2nuu s ILE 86 CO 0.56 0.04 0.00 0.61 -1.79 0.00 0.00 174.94 174.36 2nuu n GLY 87 N 0.58 0.54 0.22 6.27 0.00 -1.26 -4.89 105.19 106.65 2nuu n GLY 87 Ca 0.06 -0.85 0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.97 1.61 5.19 -1.94 -3.43 116.42 112.89 2nuu h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2nuu h ASP 88 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2nuu h ASP 88 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2nuu n GLY 89 N -0.25 -1.84 3.33 2.75 0.00 -1.26 -4.29 105.19 103.64 2nuu n GLY 89 Ca 0.01 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 2nuu n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nuu s LYS 90 N -0.06 1.09 -0.14 1.61 -2.85 -0.85 -4.98 119.74 113.56 2nuu s LYS 90 Ca 0.00 -0.81 -0.04 0.00 -1.00 0.00 0.00 55.97 54.12 2nuu s LYS 90 Cb 0.00 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2nuu s LYS 90 CO 0.00 -0.42 0.02 0.42 0.10 0.00 0.00 175.35 175.47 2nuu s ILE 91 N -3.84 4.46 -0.07 3.79 1.01 -1.26 -1.72 121.20 123.58 2nuu s ILE 91 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2nuu s ILE 91 Cb 0.02 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 2nuu s ILE 91 CO -0.10 0.53 -0.21 -0.36 0.00 0.00 0.00 174.94 174.81 2nuu s PHE 92 N -0.21 2.17 -0.10 3.97 0.08 0.20 -5.00 117.98 119.10 2nuu s PHE 92 Ca 0.06 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.39 2nuu s PHE 92 Cb -0.12 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2nuu s PHE 92 CO 0.02 -0.27 -0.16 0.08 -0.10 0.00 0.00 175.22 174.78 2nuu s VAL 93 N 0.14 2.79 -0.03 -0.44 1.01 -1.26 -0.81 120.40 121.80 2nuu s VAL 93 Ca -0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2nuu s VAL 93 Cb -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2nuu s VAL 93 CO 0.05 0.55 0.18 0.00 0.00 0.00 0.00 175.10 175.88 2nuu s ALA 94 N 0.01 -0.43 0.13 5.51 0.00 -0.68 -5.03 121.76 121.28 2nuu s ALA 94 Ca -0.05 0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2nuu s ALA 94 Cb -0.15 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 2nuu s ALA 94 CO 0.05 -0.17 0.92 -2.00 0.00 0.00 0.00 175.76 174.56 2nuu s GLU 95 N -0.77 4.70 -0.21 0.00 2.12 -1.26 -0.40 118.70 122.87 2nuu s GLU 95 Ca -0.09 1.39 -0.06 0.00 0.36 0.00 0.00 54.97 56.57 2nuu s GLU 95 Cb -0.05 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2nuu s GLU 95 CO 0.01 0.31 0.04 -0.51 -0.54 0.00 0.00 175.26 174.57 2nuu s LEU 96 N -0.32 3.49 0.08 2.70 1.43 0.08 -4.84 118.68 121.31 2nuu s LEU 96 Ca 0.44 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2nuu s LEU 96 Cb -0.23 -1.90 -0.24 0.00 0.03 0.00 0.00 46.19 43.85 2nuu s LEU 96 CO 0.29 0.07 1.17 1.56 0.23 0.00 0.00 176.35 179.67 2nuu h GLN 97 N 7.46 0.36 -2.57 1.70 4.20 -1.97 -3.31 115.11 120.97 2nuu h GLN 97 Ca -0.36 -0.53 -0.10 0.00 0.06 0.00 0.00 58.65 57.72 2nuu h GLN 97 Cb 1.18 0.18 -0.23 0.00 0.30 0.00 0.00 27.48 28.91 2nuu h GLN 97 CO 0.62 1.22 -0.14 0.50 -0.67 0.00 0.00 178.83 180.36 2nuu s ARG 98 N -2.84 0.59 -0.08 1.46 3.52 -1.26 -4.91 118.95 115.44 2nuu s ARG 98 Ca -0.05 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 2nuu s ARG 98 Cb 0.07 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.77 2nuu s ARG 98 CO 0.89 -0.09 -0.06 0.08 -0.81 0.00 0.00 175.30 175.32 2nuu s VAL 99 N 0.09 0.78 -0.03 7.11 1.01 -1.26 -5.03 120.40 123.06 2nuu s VAL 99 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2nuu s VAL 99 Cb -0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2nuu s VAL 99 CO 0.01 0.31 -0.15 -0.63 0.00 0.00 0.00 175.10 174.64 2nuu s ILE 100 N 1.46 1.27 -0.23 2.22 1.09 -1.26 -2.05 121.20 123.71 2nuu s ILE 100 Ca -0.01 -0.64 -0.20 0.00 -1.10 0.00 0.00 60.65 58.70 2nuu s ILE 100 Cb -0.13 -1.09 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 2nuu s ILE 100 CO -0.04 0.37 0.60 -0.60 -0.10 0.00 0.00 174.94 175.17 2nuu s ARG 101 N -0.01 4.15 0.15 2.79 3.52 -0.49 -4.96 118.95 124.10 2nuu s ARG 101 Ca -0.02 0.53 -0.17 0.00 -0.13 0.00 0.00 55.73 55.94 2nuu s ARG 101 Cb -0.10 -3.61 0.03 0.00 -1.56 0.00 0.00 34.95 29.70 2nuu s ARG 101 CO 0.01 -0.31 1.75 0.82 -0.81 0.00 0.00 175.30 176.76 2nuu h ILE 102 N 5.29 0.91 -0.91 4.11 2.04 -1.94 0.14 117.51 127.17 2nuu h ILE 102 Ca -0.29 -0.08 0.17 0.00 1.00 0.00 0.00 64.86 65.65 2nuu h ILE 102 Cb 1.14 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 2nuu h ILE 102 CO 0.76 0.04 0.59 -0.09 0.00 0.00 0.00 178.15 179.45 2nuu h ARG 103 N 0.24 0.60 0.00 2.37 2.43 -1.99 -3.33 114.38 114.70 2nuu h ARG 103 Ca 0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2nuu h ARG 103 Cb 0.11 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2nuu h ARG 103 CO -0.14 0.40 -1.05 0.25 -1.51 0.00 0.00 179.97 177.92 2nuu n THR 104 N -4.57 0.05 -0.00 0.20 -2.24 -1.17 -5.03 114.28 101.51 2nuu n THR 104 Ca 0.19 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2nuu n THR 104 Cb 0.55 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.98 0.14 3.73 3.38 0.00 0.49 -5.05 105.19 110.86 2nuu n GLY 105 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.99 2.40 0.44 1.61 2.02 -1.25 -4.66 118.70 118.26 2nuu s GLU 106 Ca 0.00 1.97 0.06 0.00 0.02 0.00 0.00 54.97 57.02 2nuu s GLU 106 Cb 0.00 -1.84 -0.06 0.00 0.10 0.00 0.00 34.13 32.33 2nuu s GLU 106 CO 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 175.26 173.65 2nuu s ALA 107 N -1.58 3.49 0.00 5.21 0.00 -1.26 -1.39 121.76 126.22 2nuu s ALA 107 Ca 0.80 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2nuu s ALA 107 Cb -0.35 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2nuu s ALA 107 CO 0.41 -0.12 0.00 -0.25 0.00 0.00 0.00 175.76 175.80 2nuu n ASP 108 N -1.11 0.00 -0.08 0.00 8.00 -0.87 -1.20 116.55 121.29 2nuu n ASP 108 Ca -0.07 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.45 2nuu n ASP 108 Cb 0.66 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 42.10 2nuu n ASP 108 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2nuu h GLU 109 N 0.00 0.70 0.00 -1.24 3.07 -1.92 -1.74 114.58 113.45 2nuu h GLU 109 Ca 0.00 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2nuu h GLU 109 Cb 0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 2nuu h GLU 109 CO 0.00 0.50 -0.10 0.00 -1.40 0.00 0.00 179.01 178.01 2nuu h ALA 110 N 1.62 1.11 0.00 3.43 0.00 -1.52 -2.65 119.26 121.25 2nuu h ALA 110 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2nuu h ALA 110 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2nuu h ALA 110 CO -0.03 0.13 -0.39 0.00 0.00 0.00 0.00 179.25 178.95 2nuu h ALA 111 N 1.90 0.79 -0.02 0.00 0.00 -0.89 -3.43 119.26 117.60 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nuu h ALA 111 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54