#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 0.50 -0.17 0.03 -0.14 0.04 -2.34 119.74 117.67 2nuu s LYS 2 Ca 0.00 -0.57 -0.05 0.00 -1.36 0.00 0.00 55.97 53.99 2nuu s LYS 2 Cb 0.00 -0.34 -0.03 0.00 -1.68 0.00 0.00 37.83 35.78 2nuu s LYS 2 CO 0.00 0.07 -0.00 -1.17 -0.76 0.00 0.00 175.35 173.49 2nuu s LEU 3 N -1.10 3.41 -0.24 3.17 2.96 0.23 -0.91 118.68 126.20 2nuu s LEU 3 Ca -0.06 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2nuu s LEU 3 Cb -0.07 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.79 2nuu s LEU 3 CO 0.00 0.15 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.42 2nuu s VAL 4 N 0.48 2.89 -0.13 1.68 1.01 -0.05 -1.10 120.40 125.18 2nuu s VAL 4 Ca -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2nuu s VAL 4 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2nuu s VAL 4 CO 0.02 0.27 -0.01 -0.89 0.00 0.00 0.00 175.10 174.49 2nuu s THR 5 N 1.35 4.15 -0.07 3.92 2.01 -0.08 -1.55 115.64 125.36 2nuu s THR 5 Ca 0.02 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2nuu s THR 5 Cb -0.16 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2nuu s THR 5 CO -0.05 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 2nuu s VAL 6 N -0.14 1.26 -0.27 3.82 1.01 0.11 -0.77 120.40 125.43 2nuu s VAL 6 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2nuu s VAL 6 Cb -0.13 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.14 2nuu s VAL 6 CO 0.02 0.39 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 2nuu s ILE 7 N 0.68 2.94 0.35 2.22 1.01 -0.80 0.02 121.20 127.62 2nuu s ILE 7 Ca -0.14 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.37 2nuu s ILE 7 Cb -0.16 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2nuu s ILE 7 CO 0.04 0.06 0.09 0.27 0.00 0.00 0.00 174.94 175.40 2nuu s ILE 8 N 1.30 0.86 0.14 2.92 -4.36 0.24 -2.72 121.20 119.57 2nuu s ILE 8 Ca -0.02 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.07 2nuu s ILE 8 Cb -0.18 -2.59 -0.07 0.00 1.25 0.00 0.00 42.46 40.87 2nuu s ILE 8 CO -0.03 0.00 1.07 -0.54 0.24 0.00 0.00 174.94 175.69 2nuu s LYS 9 N -3.84 4.59 0.21 0.37 1.02 -1.26 0.01 119.74 120.84 2nuu s LYS 9 Ca 0.32 1.65 -0.12 0.00 0.02 0.00 0.00 55.97 57.84 2nuu s LYS 9 Cb 0.06 -3.32 0.27 0.00 -0.52 0.00 0.00 37.83 34.32 2nuu s LYS 9 CO 0.15 0.06 1.66 -1.35 -0.92 0.00 0.00 175.35 174.94 2nuu h PRO 10 N 5.54 0.09 0.00 -1.68 0.11 -1.88 -0.14 132.00 134.04 2nuu h PRO 10 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2nuu h PRO 10 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2nuu h PRO 10 CO 0.74 0.06 0.02 1.97 -0.21 0.00 0.00 178.00 180.58 2nuu n PHE 11 N -5.30 0.00 -0.43 0.65 -1.74 -1.26 -1.64 117.46 107.74 2nuu n PHE 11 Ca 0.08 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.08 2nuu n PHE 11 Cb 0.34 -0.47 0.31 0.00 1.52 0.00 0.00 39.48 41.19 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 -1.47 3.02 -0.02 3.97 4.76 -0.06 -4.59 118.16 123.77 2nuu n LYS 12 Ca 0.00 -2.66 -0.12 0.00 -2.87 0.00 0.00 58.31 52.66 2nuu n LYS 12 Cb 0.02 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.51 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 3.94 0.12 -0.62 -0.35 6.46 -1.43 -2.95 115.31 120.48 2nuu h LEU 13 Ca 0.00 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 57.49 2nuu h LEU 13 Cb 1.09 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 2nuu h LEU 13 CO 0.06 0.39 0.38 -0.08 -0.62 0.00 0.00 178.44 178.57 2nuu h GLU 14 N -0.15 0.73 -0.41 1.25 4.57 -1.83 -1.26 114.58 117.47 2nuu h GLU 14 Ca 0.02 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2nuu h GLU 14 Cb 0.32 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2nuu h GLU 14 CO 0.00 0.48 0.09 -0.44 -1.18 0.00 0.00 179.01 177.97 2nuu h ASP 15 N 0.75 0.03 -0.60 1.04 3.45 -1.87 0.78 116.42 120.00 2nuu h ASP 15 Ca 0.25 0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.68 2nuu h ASP 15 Cb 0.01 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 2nuu h ASP 15 CO -0.10 0.05 0.01 0.58 -1.57 0.00 0.00 179.24 178.22 2nuu h VAL 16 N 0.23 1.26 0.02 -1.35 2.07 -1.31 -1.32 116.25 115.85 2nuu h VAL 16 Ca 0.20 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2nuu h VAL 16 Cb 0.23 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2nuu h VAL 16 CO -0.25 0.42 -0.01 -0.09 0.02 0.00 0.00 177.57 177.66 2nuu h ARG 17 N 0.97 -0.02 -0.76 1.57 2.43 -0.52 0.04 114.38 118.10 2nuu h ARG 17 Ca 0.18 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2nuu h ARG 17 Cb 0.54 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2nuu h ARG 17 CO 0.03 0.05 0.34 0.93 -1.51 0.00 0.00 179.97 179.81 2nuu h GLU 18 N -0.09 1.11 -0.08 0.20 5.08 -0.76 0.97 114.58 121.01 2nuu h GLU 18 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2nuu h GLU 18 Cb 0.09 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2nuu h GLU 18 CO 0.00 0.89 0.02 0.00 -1.00 0.00 0.00 179.01 178.92 2nuu h ALA 19 N 1.17 0.10 -0.31 3.43 0.00 -1.13 0.14 119.26 122.66 2nuu h ALA 19 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nuu h ALA 19 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2nuu h ALA 19 CO -0.03 -0.28 0.05 1.25 0.00 0.00 0.00 179.25 180.24 2nuu h LEU 20 N -0.07 0.41 -1.02 0.00 5.85 -0.83 -1.48 115.31 118.17 2nuu h LEU 20 Ca 0.03 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2nuu h LEU 20 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2nuu h LEU 20 CO -0.00 0.44 -0.45 -1.28 -0.34 0.00 0.00 178.44 176.81 2nuu h SER 21 N 0.44 0.00 -0.30 1.25 0.87 -0.44 -2.41 113.55 112.96 2nuu h SER 21 Ca 0.10 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2nuu h SER 21 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2nuu h SER 21 CO 0.00 0.45 0.16 0.28 -0.53 0.00 0.00 176.83 177.20 2nuu h SER 22 N 0.00 0.41 -0.59 6.23 0.02 0.14 -2.39 113.55 117.36 2nuu h SER 22 Ca -0.00 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2nuu h SER 22 Cb 0.87 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2nuu h SER 22 CO 0.06 0.35 0.08 2.30 -1.14 0.00 0.00 176.83 178.48 2nuu n ILE 23 N -4.43 2.68 -2.43 3.27 -5.35 -1.14 -4.95 119.36 107.01 2nuu n ILE 23 Ca 0.02 -1.39 -0.07 0.00 -0.27 0.00 0.00 62.75 61.04 2nuu n ILE 23 Cb 0.11 -0.32 0.01 0.00 -1.74 0.00 0.00 39.64 37.70 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 0.39 0.27 2.99 3.28 0.00 -0.90 -5.04 105.19 106.17 2nuu n GLY 24 Ca 0.30 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.65 1.84 -0.11 -0.61 1.01 -0.92 -4.93 121.20 114.83 2nuu s ILE 25 Ca 0.08 -1.58 0.08 0.00 0.00 0.00 0.00 60.65 59.23 2nuu s ILE 25 Cb -0.03 -2.11 -0.12 0.00 0.01 0.00 0.00 42.46 40.21 2nuu s ILE 25 CO 0.10 -0.20 0.22 0.00 0.00 0.00 0.00 174.94 175.06 2nuu n GLN 26 N 4.53 1.33 -2.90 2.79 6.02 -1.26 -3.39 117.38 124.49 2nuu n GLN 26 Ca -0.09 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 2nuu n GLN 26 Cb 0.43 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 2nuu n GLN 26 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2nuu s GLY 27 N -2.64 2.20 -0.07 1.08 0.00 -1.26 -5.01 107.32 101.62 2nuu s GLY 27 Ca -0.01 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 2nuu s GLY 27 CO 0.34 1.62 0.98 0.48 0.00 0.00 0.00 173.10 176.51 2nuu s LEU 28 N 1.95 -0.31 -0.08 0.66 0.05 -1.26 -4.82 118.68 114.87 2nuu s LEU 28 Ca 0.39 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.66 2nuu s LEU 28 Cb -0.17 1.85 -0.01 0.00 -2.05 0.00 0.00 46.19 45.82 2nuu s LEU 28 CO 0.14 -0.50 -0.22 -0.89 -0.55 0.00 0.00 176.35 174.33 2nuu s THR 29 N -2.70 2.31 -0.07 5.48 2.01 -0.23 -4.99 115.64 117.46 2nuu s THR 29 Ca 0.05 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.15 2nuu s THR 29 Cb -0.01 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 2nuu s THR 29 CO -0.07 0.56 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 2nuu s VAL 30 N 0.01 1.96 0.02 3.82 1.01 -1.26 -0.19 120.40 125.77 2nuu s VAL 30 Ca -0.08 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 60.96 2nuu s VAL 30 Cb -0.15 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2nuu s VAL 30 CO 0.05 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 2nuu s THR 31 N -0.01 1.55 -0.18 3.92 2.01 0.02 -4.99 115.64 117.97 2nuu s THR 31 Ca -0.07 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.66 2nuu s THR 31 Cb -0.15 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 2nuu s THR 31 CO 0.05 0.27 0.75 -0.70 -0.69 0.00 0.00 174.62 174.30 2nuu s GLU 32 N -0.89 4.27 0.40 4.92 2.12 -1.26 -1.26 118.70 126.99 2nuu s GLU 32 Ca 0.07 0.86 0.04 0.00 0.36 0.00 0.00 54.97 56.30 2nuu s GLU 32 Cb -0.08 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 2nuu s GLU 32 CO 0.01 -0.28 0.15 0.14 -0.54 0.00 0.00 175.26 174.73 2nuu s VAL 33 N 2.02 0.50 -0.04 3.70 -7.23 -0.58 -4.95 120.40 113.81 2nuu s VAL 33 Ca 0.35 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2nuu s VAL 33 Cb -0.16 -2.35 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2nuu s VAL 33 CO 0.12 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.21 2nuu s LYS 34 N -3.67 1.64 0.18 4.82 1.02 -1.26 -0.69 119.74 121.78 2nuu s LYS 34 Ca 0.26 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 55.78 2nuu s LYS 34 Cb 0.02 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2nuu s LYS 34 CO 0.16 0.21 -0.16 0.20 -0.92 0.00 0.00 175.35 174.84 2nuu s GLY 35 N 0.11 1.39 -0.01 -3.33 0.00 0.64 -4.90 107.32 101.22 2nuu s GLY 35 Ca -0.04 -1.56 -0.08 0.00 0.00 0.00 0.00 44.72 43.03 2nuu s GLY 35 CO 0.02 -1.64 0.17 -0.12 0.00 0.00 0.00 173.10 171.53 2nuu s PHE 36 N -2.52 -0.01 -2.39 1.90 5.36 -1.26 -0.50 117.98 118.56 2nuu s PHE 36 Ca 0.19 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2nuu s PHE 36 Cb -0.03 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 2nuu s PHE 36 CO 0.06 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.95 2nuu n GLY 37 N 1.57 -0.57 0.29 13.12 0.00 -1.26 -4.96 105.19 113.38 2nuu n GLY 37 Ca -0.22 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 0.26 -6.10 1.61 3.08 -2.00 -3.37 114.38 107.86 2nuu h ARG 38 Ca 0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 2nuu h ARG 38 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 2nuu h ARG 38 CO 0.00 0.17 0.38 -1.14 -1.07 0.00 0.00 179.97 178.31 2nuu s GLN 39 N -5.98 4.39 -0.03 0.04 0.74 -1.26 -5.02 119.66 112.54 2nuu s GLN 39 Ca -0.12 1.14 0.04 0.00 0.05 0.00 0.00 55.36 56.47 2nuu s GLN 39 Cb 0.24 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 2nuu s GLN 39 CO 0.77 -0.22 -0.15 0.15 -0.55 0.00 0.00 175.29 175.29 2nuu s LYS 40 N 1.72 2.41 0.48 1.67 1.02 -1.26 -4.77 119.74 121.01 2nuu s LYS 40 Ca 0.42 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 2nuu s LYS 40 Cb -0.18 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.73 2nuu s LYS 40 CO 0.17 0.61 1.11 0.20 -0.92 0.00 0.00 175.35 176.51 2nuu s GLY 41 N -0.86 2.67 0.63 -3.33 0.00 -1.10 -4.99 107.32 100.33 2nuu s GLY 41 Ca 0.12 0.79 -0.18 0.00 0.00 0.00 0.00 44.72 45.45 2nuu s GLY 41 CO 0.01 1.18 1.15 1.42 0.00 0.00 0.00 173.10 176.87 2nuu n HIS 42 N -0.77 1.46 -1.98 1.90 8.25 -1.26 -4.37 115.22 118.44 2nuu n HIS 42 Ca 0.09 0.43 -0.37 0.00 -0.26 0.00 0.00 57.72 57.60 2nuu n HIS 42 Cb 0.50 -2.21 0.02 0.00 1.12 0.00 0.00 29.99 29.42 2nuu n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nuu s ALA 43 N -1.44 2.78 0.01 -1.41 0.00 -1.26 -4.79 121.76 115.64 2nuu s ALA 43 Ca 0.79 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.95 2nuu s ALA 43 Cb -0.40 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 2nuu s ALA 43 CO 0.43 -1.11 -0.21 -1.21 0.00 0.00 0.00 175.76 173.66 2nuu s GLU 44 N -2.97 2.13 -0.09 0.00 2.02 -0.07 -4.98 118.70 114.74 2nuu s GLU 44 Ca 0.71 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.79 2nuu s GLU 44 Cb -0.34 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.75 2nuu s GLU 44 CO 0.40 0.56 -0.13 -0.48 0.02 0.00 0.00 175.26 175.62 2nuu s LEU 45 N -1.03 1.62 -0.26 1.80 2.34 -1.26 0.15 118.68 122.04 2nuu s LEU 45 Ca 0.12 -0.37 -0.00 0.00 0.06 0.00 0.00 54.13 53.94 2nuu s LEU 45 Cb -0.10 -0.97 0.08 0.00 -0.56 0.00 0.00 46.19 44.63 2nuu s LEU 45 CO 0.02 0.00 0.03 -0.31 -1.06 0.00 0.00 176.35 175.03 2nuu s TYR 46 N 0.98 1.98 0.00 3.48 2.02 0.76 -5.01 117.35 121.56 2nuu s TYR 46 Ca -0.08 -1.66 0.00 0.00 -0.37 0.00 0.00 57.07 54.96 2nuu s TYR 46 Cb -0.15 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2nuu s TYR 46 CO -0.01 -0.79 0.00 0.54 -1.57 0.00 0.00 175.55 173.73 2nuu n ARG 47 N 4.78 0.00 0.16 -0.62 1.74 -1.26 0.00 116.66 121.47 2nuu n ARG 47 Ca -0.06 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.10 2nuu n ARG 47 Cb 0.44 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.96 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 -4.06 -0.13 0.00 -2.03 -3.46 103.07 93.39 2nuu h GLY 48 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2nuu h GLY 48 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 176.54 176.93 2nuu s ALA 49 N -3.16 3.29 -0.16 3.60 0.00 0.10 -5.05 121.76 120.38 2nuu s ALA 49 Ca 0.04 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 2nuu s ALA 49 Cb 0.07 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.93 2nuu s ALA 49 CO 0.72 -0.05 -0.09 -1.21 0.00 0.00 0.00 175.76 175.13 2nuu s GLU 50 N -0.22 1.76 -0.47 0.00 2.02 -1.26 -0.17 118.70 120.36 2nuu s GLU 50 Ca 0.47 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.78 2nuu s GLU 50 Cb -0.25 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.02 2nuu s GLU 50 CO 0.31 -0.36 0.37 0.71 0.02 0.00 0.00 175.26 176.31 2nuu s TYR 51 N 1.56 3.29 0.10 1.61 2.02 0.12 -4.95 117.35 121.12 2nuu s TYR 51 Ca 0.02 -1.26 0.03 0.00 -0.37 0.00 0.00 57.07 55.48 2nuu s TYR 51 Cb -0.14 -3.25 -0.24 0.00 -0.40 0.00 0.00 41.96 37.93 2nuu s TYR 51 CO -0.08 -0.87 1.23 0.66 -1.57 0.00 0.00 175.55 174.91 2nuu h SER 52 N 8.64 0.16 -3.46 2.29 4.64 -1.94 -0.14 113.55 123.75 2nuu h SER 52 Ca -0.26 -0.17 -0.60 0.00 -0.47 0.00 0.00 61.79 60.29 2nuu h SER 52 Cb 1.10 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 63.03 2nuu h SER 52 CO 0.87 1.13 -0.13 -0.69 -0.87 0.00 0.00 176.83 177.14 2nuu s VAL 53 N -2.69 5.16 -0.03 0.95 1.01 -1.26 -4.50 120.40 119.04 2nuu s VAL 53 Ca -0.01 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 2nuu s VAL 53 Cb 0.09 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2nuu s VAL 53 CO 0.84 0.23 0.16 0.20 0.00 0.00 0.00 175.10 176.54 2nuu s ASN 54 N 1.04 -0.08 0.29 3.32 0.01 -1.26 -5.00 114.94 113.25 2nuu s ASN 54 Ca 0.22 0.08 -0.17 0.00 -0.71 0.00 0.00 52.86 52.28 2nuu s ASN 54 Cb -0.15 0.29 -0.09 0.00 0.41 0.00 0.00 41.25 41.71 2nuu s ASN 54 CO 0.09 -0.22 0.73 -0.36 -1.51 0.00 0.00 177.10 175.83 2nuu s PHE 55 N -0.66 3.47 -0.05 2.20 0.08 -1.26 -2.72 117.98 119.04 2nuu s PHE 55 Ca -0.07 1.28 -0.13 0.00 0.12 0.00 0.00 56.93 58.13 2nuu s PHE 55 Cb -0.04 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.79 2nuu s PHE 55 CO 0.01 0.18 0.33 -0.51 -0.10 0.00 0.00 175.22 175.13 2nuu s LEU 56 N -2.62 4.43 0.30 -0.37 2.01 0.35 -4.76 118.68 118.02 2nuu s LEU 56 Ca 0.50 0.79 -0.30 0.00 0.01 0.00 0.00 54.13 55.14 2nuu s LEU 56 Cb -0.12 -2.44 -0.12 0.00 0.01 0.00 0.00 46.19 43.52 2nuu s LEU 56 CO 0.19 0.32 1.54 -0.81 1.01 0.00 0.00 176.35 178.59 2nuu n PRO 57 N 2.08 2.59 -4.19 1.29 -0.04 -1.26 -0.26 135.00 135.22 2nuu n PRO 57 Ca -0.15 0.92 -0.12 0.00 -0.04 0.00 0.00 63.50 64.11 2nuu n PRO 57 Cb 0.53 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.22 2nuu n PRO 57 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2nuu s LYS 58 N -0.85 1.20 -0.08 0.54 -0.14 0.13 -4.50 119.74 116.04 2nuu s LYS 58 Ca 0.62 -1.60 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 2nuu s LYS 58 Cb -0.51 0.28 0.01 0.00 -1.68 0.00 0.00 37.83 35.93 2nuu s LYS 58 CO 0.52 -0.39 -0.13 0.08 -0.76 0.00 0.00 175.35 174.67 2nuu s VAL 59 N -4.14 1.23 -0.23 3.17 1.01 0.10 -1.53 120.40 120.00 2nuu s VAL 59 Ca 0.37 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2nuu s VAL 59 Cb 0.07 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2nuu s VAL 59 CO 0.11 0.38 0.11 -0.75 0.00 0.00 0.00 175.10 174.96 2nuu s LYS 60 N 0.85 3.91 -0.22 2.72 2.20 -0.39 -0.59 119.74 128.22 2nuu s LYS 60 Ca -0.11 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 2nuu s LYS 60 Cb -0.15 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2nuu s LYS 60 CO 0.01 0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.34 2nuu s ILE 61 N 1.14 2.82 -0.13 5.43 1.01 0.10 -0.80 121.20 130.77 2nuu s ILE 61 Ca 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 2nuu s ILE 61 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2nuu s ILE 61 CO 0.04 0.39 -0.01 -1.81 0.00 0.00 0.00 174.94 173.55 2nuu s ASP 62 N 1.37 5.07 -0.10 3.58 1.01 0.73 -0.71 116.67 127.62 2nuu s ASP 62 Ca 0.04 0.00 -0.04 0.00 0.71 0.00 0.00 52.55 53.26 2nuu s ASP 62 Cb -0.15 -1.67 0.05 0.00 1.01 0.00 0.00 42.92 42.17 2nuu s ASP 62 CO -0.07 0.25 0.22 0.54 0.21 0.00 0.00 175.17 176.33 2nuu s VAL 63 N -0.13 -0.16 -0.08 -1.27 0.11 -0.60 -1.06 120.40 117.21 2nuu s VAL 63 Ca 0.04 0.21 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 2nuu s VAL 63 Cb -0.13 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2nuu s VAL 63 CO 0.02 0.09 0.57 0.00 -3.33 0.00 0.00 175.10 172.45 2nuu s ALA 64 N 1.64 3.43 0.15 1.54 0.00 -1.26 -0.87 121.76 126.39 2nuu s ALA 64 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 2nuu s ALA 64 Cb -0.11 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 2nuu s ALA 64 CO -0.08 -0.00 0.05 0.96 0.00 0.00 0.00 175.76 176.69 2nuu s ILE 65 N 0.55 0.22 0.23 0.00 -4.36 -0.09 -5.00 121.20 112.75 2nuu s ILE 65 Ca 0.31 -1.93 -0.25 0.00 -0.26 0.00 0.00 60.65 58.51 2nuu s ILE 65 Cb -0.16 -2.11 -0.09 0.00 1.25 0.00 0.00 42.46 41.35 2nuu s ILE 65 CO 0.14 -0.42 0.84 0.00 0.24 0.00 0.00 174.94 175.74 2nuu s ALA 66 N -3.97 3.36 0.35 2.27 0.00 -1.26 -0.78 121.76 121.73 2nuu s ALA 66 Ca 0.26 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.76 2nuu s ALA 66 Cb 0.07 -3.03 1.12 0.00 0.00 0.00 0.00 23.12 21.28 2nuu s ALA 66 CO 0.03 0.25 1.58 -0.44 0.00 0.00 0.00 175.76 177.19 2nuu h ASP 67 N 3.80 0.04 0.33 0.00 3.32 -1.94 0.30 116.42 122.28 2nuu h ASP 67 Ca -0.47 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2nuu h ASP 67 Cb 1.20 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.09 2nuu h ASP 67 CO 0.66 -0.39 0.00 -0.90 -1.72 0.00 0.00 179.24 176.89 2nuu n ASP 68 N -5.33 0.09 -0.47 6.45 5.68 -1.26 -2.50 116.55 119.22 2nuu n ASP 68 Ca 0.32 0.53 0.09 0.00 -0.50 0.00 0.00 54.79 55.23 2nuu n ASP 68 Cb 1.08 -0.55 0.01 0.00 -1.14 0.00 0.00 41.12 40.53 2nuu n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nuu n GLN 69 N -1.61 1.57 -0.06 0.11 6.02 0.11 -4.63 117.38 118.89 2nuu n GLN 69 Ca 0.02 -1.01 -0.07 0.00 -0.01 0.00 0.00 57.00 55.93 2nuu n GLN 69 Cb 0.11 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 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 2.30 -0.42 -0.41 1.08 6.46 -1.54 -1.31 115.31 121.47 2nuu h LEU 70 Ca 0.00 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 2nuu h LEU 70 Cb 0.64 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.75 2nuu h LEU 70 CO 0.00 -0.16 0.10 -0.78 -0.62 0.00 0.00 178.44 176.98 2nuu h ASP 71 N -0.09 0.04 0.15 1.25 1.82 -1.82 -2.13 116.42 115.65 2nuu h ASP 71 Ca 0.14 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 2nuu h ASP 71 Cb 0.30 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2nuu h ASP 71 CO -0.32 0.06 -0.07 -0.33 -1.61 0.00 0.00 179.24 176.96 2nuu h GLU 72 N 0.23 -0.20 -0.38 0.28 5.08 -1.80 -2.33 114.58 115.47 2nuu h GLU 72 Ca 0.20 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2nuu h GLU 72 Cb 0.23 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 2nuu h GLU 72 CO -0.25 0.13 -0.43 0.28 -1.00 0.00 0.00 179.01 177.74 2nuu h VAL 73 N -0.54 0.11 -0.90 3.13 2.07 -1.13 0.23 116.25 119.22 2nuu h VAL 73 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2nuu h VAL 73 Cb 0.41 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2nuu h VAL 73 CO 0.03 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.60 2nuu h ILE 74 N -0.35 1.10 0.48 4.57 2.04 -1.44 -0.28 117.51 123.64 2nuu h ILE 74 Ca 0.13 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2nuu h ILE 74 Cb 0.59 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2nuu h ILE 74 CO -0.55 0.20 -0.23 -0.78 0.00 0.00 0.00 178.15 176.78 2nuu h ASP 75 N 1.08 -0.55 0.01 1.72 3.58 -0.59 -2.50 116.42 119.17 2nuu h ASP 75 Ca 0.38 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.66 2nuu h ASP 75 Cb 0.10 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2nuu h ASP 75 CO -0.15 -0.29 -0.38 -0.29 -2.88 0.00 0.00 179.24 175.26 2nuu h ILE 76 N -0.80 1.30 -0.28 2.25 6.09 -0.45 -3.13 117.51 122.49 2nuu h ILE 76 Ca -0.07 -1.51 -0.07 0.00 -1.37 0.00 0.00 64.86 61.84 2nuu h ILE 76 Cb 0.57 1.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 2nuu h ILE 76 CO 0.11 0.47 -0.09 0.58 -3.07 0.00 0.00 178.15 176.15 2nuu h VAL 77 N 0.40 1.29 -0.16 2.19 2.07 -1.12 -1.85 116.25 119.07 2nuu h VAL 77 Ca 0.04 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2nuu h VAL 77 Cb 0.85 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 2nuu h VAL 77 CO 0.07 0.36 -0.20 0.28 0.02 0.00 0.00 177.57 178.10 2nuu h SER 78 N 0.30 -0.61 -0.50 0.57 0.02 -1.47 -1.19 113.55 110.66 2nuu h SER 78 Ca 0.07 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2nuu h SER 78 Cb 0.58 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2nuu h SER 78 CO 0.03 -0.24 0.06 0.11 -1.14 0.00 0.00 176.83 175.65 2nuu h LYS 79 N -0.23 0.84 -0.62 3.45 6.56 -1.55 -2.62 116.57 122.40 2nuu h LYS 79 Ca 0.11 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.42 2nuu h LYS 79 Cb 0.39 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 2nuu h LYS 79 CO -0.30 0.85 0.24 0.00 -2.06 0.00 0.00 179.45 178.17 2nuu h ALA 80 N 0.96 0.81 -0.00 3.86 0.00 -1.07 -3.10 119.26 120.72 2nuu h ALA 80 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nuu h ALA 80 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2nuu h ALA 80 CO 0.01 0.44 -0.26 0.00 0.00 0.00 0.00 179.25 179.45 2nuu n ALA 81 N -2.38 2.98 -2.28 0.00 0.00 -0.47 -4.55 120.51 113.80 2nuu n ALA 81 Ca 0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2nuu n ALA 81 Cb 0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.97 3.13 0.00 0.00 5.04 -0.99 -4.87 117.35 116.69 2nuu s TYR 82 Ca 0.13 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2nuu s TYR 82 Cb 0.18 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.90 2nuu s TYR 82 CO 0.61 -2.05 0.00 0.25 -1.34 0.00 0.00 175.55 173.02 2nuu n THR 83 N 4.29 0.00 0.00 4.34 -2.24 -1.26 -5.03 114.28 114.37 2nuu n THR 83 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2nuu n THR 83 Cb 0.44 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.62 2.98 3.82 3.38 0.00 -1.26 -5.05 105.19 111.68 2nuu n GLY 84 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.11 3.99 0.19 1.61 1.02 -1.26 -4.99 119.74 120.20 2nuu s LYS 85 Ca 0.00 1.16 -0.33 0.00 0.02 0.00 0.00 55.97 56.82 2nuu s LYS 85 Cb 0.00 -2.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 2nuu s LYS 85 CO 0.00 -0.24 1.52 -0.89 -0.92 0.00 0.00 175.35 174.82 2nuu n ILE 86 N -1.01 0.36 0.00 2.17 5.41 -1.26 -3.31 119.36 121.72 2nuu n ILE 86 Ca 0.08 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2nuu n ILE 86 Cb 0.54 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 2nuu n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nuu n GLY 87 N 2.92 1.11 0.28 7.39 0.00 -1.26 -4.79 105.19 110.85 2nuu n GLY 87 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.92 -3.43 116.42 111.01 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 -1.52 -0.23 3.29 2.75 0.00 -1.26 -4.16 105.19 104.06 2nuu n GLY 89 Ca -0.01 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.51 1.17 -0.17 1.61 -0.14 -1.10 -4.99 119.74 115.60 2nuu s LYS 90 Ca 0.00 -1.52 0.01 0.00 -1.36 0.00 0.00 55.97 53.10 2nuu s LYS 90 Cb 0.00 -0.73 0.02 0.00 -1.68 0.00 0.00 37.83 35.44 2nuu s LYS 90 CO 0.00 0.07 -0.18 0.42 -0.76 0.00 0.00 175.35 174.90 2nuu s ILE 91 N -3.26 1.90 -0.10 2.17 1.01 -1.26 -1.90 121.20 119.75 2nuu s ILE 91 Ca 0.20 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 2nuu s ILE 91 Cb 0.02 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2nuu s ILE 91 CO 0.03 0.48 -0.09 -0.36 0.00 0.00 0.00 174.94 175.00 2nuu s PHE 92 N 1.35 2.87 -0.12 3.97 0.08 0.05 -5.00 117.98 121.18 2nuu s PHE 92 Ca 0.04 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 56.82 2nuu s PHE 92 Cb -0.13 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2nuu s PHE 92 CO -0.12 0.05 -0.22 0.08 -0.10 0.00 0.00 175.22 174.91 2nuu s VAL 93 N -0.15 2.22 0.06 -0.44 1.01 -1.26 -0.91 120.40 120.93 2nuu s VAL 93 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2nuu s VAL 93 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2nuu s VAL 93 CO 0.03 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 2nuu s ALA 94 N 0.48 0.75 0.25 5.51 0.00 -0.26 -4.99 121.76 123.51 2nuu s ALA 94 Ca -0.15 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 2nuu s ALA 94 Cb -0.17 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 2nuu s ALA 94 CO 0.06 -0.02 0.91 -2.00 0.00 0.00 0.00 175.76 174.70 2nuu s GLU 95 N -1.97 4.70 -0.18 0.00 2.56 -1.26 0.77 118.70 123.32 2nuu s GLU 95 Ca -0.05 1.36 -0.02 0.00 0.00 0.00 0.00 54.97 56.26 2nuu s GLU 95 Cb -0.08 -3.11 -0.01 0.00 2.00 0.00 0.00 34.13 32.93 2nuu s GLU 95 CO 0.00 0.45 -0.08 -0.51 -0.56 0.00 0.00 175.26 174.56 2nuu s LEU 96 N -1.49 2.84 0.18 2.70 1.43 -0.99 -4.76 118.68 118.60 2nuu s LEU 96 Ca 0.43 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 2nuu s LEU 96 Cb -0.23 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 2nuu s LEU 96 CO 0.28 0.07 1.36 1.56 0.23 0.00 0.00 176.35 179.86 2nuu h GLN 97 N 7.39 0.00 -1.81 1.70 1.08 -1.97 -3.39 115.11 118.11 2nuu h GLN 97 Ca -0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2nuu h GLN 97 Cb 1.18 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.39 2nuu h GLN 97 CO 0.59 0.84 0.31 0.50 -0.95 0.00 0.00 178.83 180.13 2nuu s ARG 98 N -2.89 0.77 -0.02 1.46 6.06 -1.26 -5.04 118.95 118.04 2nuu s ARG 98 Ca 0.01 0.50 0.02 0.00 -2.50 0.00 0.00 55.73 53.76 2nuu s ARG 98 Cb 0.10 0.37 -0.00 0.00 0.06 0.00 0.00 34.95 35.48 2nuu s ARG 98 CO 0.79 -0.18 -0.08 0.08 -2.50 0.00 0.00 175.30 173.42 2nuu s VAL 99 N -0.46 0.67 -0.02 7.11 1.01 -1.26 -5.00 120.40 122.45 2nuu s VAL 99 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2nuu s VAL 99 Cb -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.77 2nuu s VAL 99 CO 0.02 0.21 0.04 -0.63 0.00 0.00 0.00 175.10 174.74 2nuu s ILE 100 N 0.04 -0.01 -0.36 2.22 1.01 -1.26 -0.76 121.20 122.08 2nuu s ILE 100 Ca -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 2nuu s ILE 100 Cb -0.06 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.34 2nuu s ILE 100 CO -0.00 0.01 0.56 -0.60 0.00 0.00 0.00 174.94 174.91 2nuu s ARG 101 N 0.19 3.58 0.33 2.79 3.52 -0.43 -4.95 118.95 123.97 2nuu s ARG 101 Ca -0.01 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 2nuu s ARG 101 Cb -0.02 -3.83 0.64 0.00 -1.56 0.00 0.00 34.95 30.18 2nuu s ARG 101 CO -0.01 -0.71 1.92 0.82 -0.81 0.00 0.00 175.30 176.51 2nuu h ILE 102 N 5.66 1.01 -0.57 4.11 2.04 -1.94 0.59 117.51 128.42 2nuu h ILE 102 Ca -0.27 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2nuu h ILE 102 Cb 1.12 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2nuu h ILE 102 CO 0.80 0.16 0.22 -0.09 0.00 0.00 0.00 178.15 179.24 2nuu h ARG 103 N 0.89 0.86 0.00 2.37 2.43 -1.98 -3.37 114.38 115.58 2nuu h ARG 103 Ca 0.38 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2nuu h ARG 103 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2nuu h ARG 103 CO -0.15 0.75 -0.65 0.25 -1.51 0.00 0.00 179.97 178.66 2nuu n THR 104 N -4.48 0.00 -0.77 0.20 -2.24 -1.13 -5.01 114.28 100.85 2nuu n THR 104 Ca 0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2nuu n THR 104 Cb 0.17 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.78 0.94 3.76 3.38 0.00 0.20 -5.01 105.19 110.24 2nuu n GLY 105 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2nuu n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nuu n GLU 106 N -2.00 2.64 -4.24 1.61 1.02 -1.25 -4.68 120.64 113.74 2nuu n GLU 106 Ca 0.00 0.93 -0.24 0.00 -0.02 0.00 0.00 57.16 57.83 2nuu n GLU 106 Cb 0.00 -2.67 -0.07 0.00 -0.02 0.00 0.00 31.44 28.68 2nuu n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nuu s ALA 107 N -0.64 3.23 0.00 0.62 0.00 -1.26 -1.32 121.76 122.39 2nuu s ALA 107 Ca 0.58 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2nuu s ALA 107 Cb -0.49 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2nuu s ALA 107 CO 0.57 0.34 0.00 -0.25 0.00 0.00 0.00 175.76 176.43 2nuu n ASP 108 N -0.64 0.00 0.22 0.00 8.00 0.06 -1.62 116.55 122.58 2nuu n ASP 108 Ca -0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.50 2nuu n ASP 108 Cb 0.57 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 42.19 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 0.00 0.00 -1.24 3.07 -1.96 -2.86 114.58 111.59 2nuu h GLU 109 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2nuu h GLU 109 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2nuu h GLU 109 CO 0.00 0.25 -0.32 0.00 -1.40 0.00 0.00 179.01 177.54 2nuu h ALA 110 N 1.75 0.85 0.00 3.43 0.00 -1.65 -3.32 119.26 120.32 2nuu h ALA 110 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nuu h ALA 110 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2nuu h ALA 110 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2nuu n ALA 111 N -2.14 2.22 1.60 0.00 0.00 -1.08 -4.77 120.51 116.34 2nuu n ALA 111 Ca 0.03 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.59 2nuu n ALA 111 Cb 0.56 -1.46 0.61 0.00 0.00 0.00 0.00 19.45 19.16 2nuu n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78