#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oal s ASP 2 N 0.00 1.34 0.01 1.08 1.11 -1.26 -3.10 116.67 115.85 1oal s ASP 2 Ca 0.00 -0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.58 1oal s ASP 2 Cb 0.00 -0.18 -0.03 0.00 1.07 0.00 0.00 42.92 43.78 1oal s ASP 2 CO 0.00 0.13 -0.15 -0.76 1.18 0.00 0.00 175.17 175.57 1oal s LEU 3 N -0.20 2.73 -0.24 1.23 1.43 -0.50 -4.94 118.68 118.19 1oal s LEU 3 Ca 0.03 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1oal s LEU 3 Cb -0.05 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1oal s LEU 3 CO -0.00 0.28 0.05 -0.89 0.23 0.00 0.00 176.35 176.02 1oal s THR 4 N -0.89 4.23 -0.19 5.49 2.01 -1.26 -0.23 115.64 124.80 1oal s THR 4 Ca 0.14 -0.20 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 1oal s THR 4 Cb -0.11 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1oal s THR 4 CO 0.05 0.36 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.63 1oal s VAL 5 N 1.47 3.86 -0.05 3.82 1.01 -0.09 -4.81 120.40 125.61 1oal s VAL 5 Ca 0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1oal s VAL 5 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1oal s VAL 5 CO 0.03 0.44 0.79 -0.54 0.00 0.00 0.00 175.10 175.82 1oal s LYS 6 N 0.90 4.47 -0.07 2.72 1.02 -1.26 -0.59 119.74 126.93 1oal s LYS 6 Ca 0.00 1.04 0.01 0.00 0.02 0.00 0.00 55.97 57.05 1oal s LYS 6 Cb -0.14 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1oal s LYS 6 CO 0.02 0.03 -0.07 -1.64 -0.92 0.00 0.00 175.35 172.76 1oal s MET 7 N 0.87 2.82 0.03 1.68 -1.94 -0.26 -4.26 119.30 118.24 1oal s MET 7 Ca 0.42 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.90 1oal s MET 7 Cb -0.19 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 1oal s MET 7 CO 0.21 0.62 -0.18 0.99 -0.01 0.00 0.00 175.02 176.65 1oal s THR 8 N -0.69 1.43 0.03 2.05 2.01 -0.42 -1.16 115.64 118.89 1oal s THR 8 Ca 0.10 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1oal s THR 8 Cb -0.11 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1oal s THR 8 CO 0.02 0.20 1.12 -0.62 -0.69 0.00 0.00 174.62 174.64 1oal s ASP 9 N -0.95 7.18 0.23 3.53 2.15 0.75 -1.47 116.67 128.10 1oal s ASP 9 Ca 0.06 1.87 0.10 0.00 0.43 0.00 0.00 52.55 55.00 1oal s ASP 9 Cb -0.08 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.16 1oal s ASP 9 CO 0.01 -0.40 1.51 -0.07 -0.17 0.00 0.00 175.17 176.05 1oal h LEU 10 N 6.91 0.00 0.14 -1.34 3.38 -1.22 0.15 115.31 123.33 1oal h LEU 10 Ca -0.41 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.33 1oal h LEU 10 Cb 1.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.98 1oal h LEU 10 CO 0.79 0.72 -1.06 -0.61 0.09 0.00 0.00 178.44 178.37 1oal h GLN 11 N 0.00 0.30 0.00 1.13 -0.00 -1.89 -3.37 115.11 111.29 1oal h GLN 11 Ca -0.01 -0.52 -0.02 0.00 -0.00 0.00 0.00 58.65 58.11 1oal h GLN 11 Cb 1.30 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 28.97 1oal h GLN 11 CO 0.09 1.25 -0.95 1.79 0.00 0.00 0.00 178.83 181.02 1oal h THR 12 N -0.31 0.06 0.00 2.39 1.35 -1.93 -3.48 112.91 111.00 1oal h THR 12 Ca -0.20 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1oal h THR 12 Cb 1.73 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1oal h THR 12 CO 0.13 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1oal n GLY 13 N 1.20 0.68 3.88 5.82 0.00 0.52 -5.01 105.19 112.28 1oal n GLY 13 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1oal n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oal s LYS 14 N -0.29 3.76 0.45 1.61 1.02 -1.24 -4.73 119.74 120.31 1oal s LYS 14 Ca 0.00 0.19 -0.25 0.00 0.02 0.00 0.00 55.97 55.92 1oal s LYS 14 Cb 0.00 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.54 1oal s LYS 14 CO 0.00 0.34 1.44 -2.14 -0.92 0.00 0.00 175.35 174.07 1oal s PRO 15 N -2.83 3.71 0.00 -1.68 0.02 -1.26 -0.18 135.00 132.78 1oal s PRO 15 Ca 0.46 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1oal s PRO 15 Cb -0.11 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1oal s PRO 15 CO 0.22 -0.81 0.53 1.33 -0.33 0.00 0.00 177.00 177.93 1oal n VAL 16 N -0.15 0.07 0.00 3.83 0.24 -0.31 -4.79 118.33 117.22 1oal n VAL 16 Ca 0.05 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1oal n VAL 16 Cb 0.41 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 1oal n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oal n GLY 17 N -0.04 0.66 3.19 7.63 0.00 -1.23 -0.46 105.19 114.95 1oal n GLY 17 Ca 0.00 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 1oal n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oal s THR 18 N -1.98 0.71 -0.07 2.61 -4.23 -0.95 -1.10 115.64 110.64 1oal s THR 18 Ca 0.00 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1oal s THR 18 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1oal s THR 18 CO 0.00 -0.77 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.49 1oal s ILE 19 N -3.62 1.63 -0.15 2.99 1.01 0.24 -0.67 121.20 122.63 1oal s ILE 19 Ca 0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1oal s ILE 19 Cb 0.05 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1oal s ILE 19 CO -0.02 0.46 0.29 -0.70 0.00 0.00 0.00 174.94 174.97 1oal s GLU 20 N 0.26 4.20 -0.16 2.79 2.12 -0.08 -0.91 118.70 126.93 1oal s GLU 20 Ca -0.11 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 1oal s GLU 20 Cb -0.15 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1oal s GLU 20 CO 0.05 0.29 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.52 1oal s LEU 21 N 0.30 3.31 0.02 2.70 1.02 0.68 -0.58 118.68 126.14 1oal s LEU 21 Ca 0.17 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.24 1oal s LEU 21 Cb -0.13 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1oal s LEU 21 CO 0.04 0.17 -0.08 -0.94 0.02 0.00 0.00 176.35 175.56 1oal s SER 22 N 0.34 0.96 -0.14 2.29 1.04 -0.55 -1.41 113.70 116.23 1oal s SER 22 Ca -0.03 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 1oal s SER 22 Cb -0.14 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1oal s SER 22 CO 0.03 -0.03 0.55 -1.58 0.98 0.00 0.00 173.24 173.18 1oal s GLN 23 N -0.84 4.30 0.41 4.02 2.00 -1.18 -0.84 119.66 127.54 1oal s GLN 23 Ca -0.02 0.54 0.04 0.00 -2.00 0.00 0.00 55.36 53.92 1oal s GLN 23 Cb -0.06 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.24 1oal s GLN 23 CO 0.00 0.02 0.15 0.54 -0.50 0.00 0.00 175.29 175.50 1oal s ASN 24 N 0.85 2.79 0.63 6.67 2.20 -0.30 -4.95 114.94 122.83 1oal s ASN 24 Ca 0.28 -1.72 0.42 0.00 -0.94 0.00 0.00 52.86 50.90 1oal s ASN 24 Cb -0.16 0.57 2.25 0.00 -2.00 0.00 0.00 41.25 41.92 1oal s ASN 24 CO 0.11 -0.98 2.28 0.07 -2.94 0.00 0.00 177.10 175.64 1oal h LYS 25 N 1.77 0.00 -0.02 3.55 2.10 -2.02 -2.38 116.57 119.56 1oal h LYS 25 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1oal h LYS 25 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1oal h LYS 25 CO 0.54 0.00 -0.31 0.66 -2.00 0.00 0.00 179.45 178.33 1oal n TYR 26 N -2.99 0.00 -0.09 0.07 4.02 -1.26 -5.08 117.16 111.83 1oal n TYR 26 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1oal n TYR 26 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1oal n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oal n GLY 27 N 1.32 0.91 3.71 2.72 0.00 -0.90 -4.09 105.19 108.87 1oal n GLY 27 Ca 0.10 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1oal n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oal s VAL 28 N -3.13 5.36 -0.19 1.61 1.01 -0.69 -1.15 120.40 123.22 1oal s VAL 28 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1oal s VAL 28 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1oal s VAL 28 CO 0.00 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.92 1oal s VAL 29 N 0.57 5.22 -0.29 2.92 1.01 -0.02 -0.60 120.40 129.21 1oal s VAL 29 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1oal s VAL 29 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1oal s VAL 29 CO 0.01 0.46 0.10 -0.36 0.00 0.00 0.00 175.10 175.32 1oal s PHE 30 N 0.22 3.15 -0.37 5.22 0.40 0.26 -1.48 117.98 125.38 1oal s PHE 30 Ca 0.07 -0.82 -0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1oal s PHE 30 Cb -0.11 -2.28 0.08 0.00 0.51 0.00 0.00 43.02 41.21 1oal s PHE 30 CO -0.01 -0.53 0.13 0.42 0.70 0.00 0.00 175.22 175.94 1oal s ILE 31 N 1.54 3.42 0.32 0.64 1.01 0.25 -1.64 121.20 126.74 1oal s ILE 31 Ca 0.03 -1.60 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 1oal s ILE 31 Cb -0.17 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 1oal s ILE 31 CO 0.03 -0.40 0.78 -2.16 0.00 0.00 0.00 174.94 173.20 1oal s PRO 32 N 1.26 4.15 -0.46 2.79 0.04 -1.26 -0.90 135.00 140.62 1oal s PRO 32 Ca 0.02 0.85 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1oal s PRO 32 Cb -0.21 -2.53 0.18 0.00 0.04 0.00 0.00 34.50 31.98 1oal s PRO 32 CO -0.01 0.19 0.40 0.39 0.04 0.00 0.00 177.00 178.01 1oal n GLU 33 N -0.07 0.59 -4.44 4.56 -0.58 0.15 -4.16 120.64 116.69 1oal n GLU 33 Ca 0.03 -3.44 -0.24 0.00 -0.42 0.00 0.00 57.16 53.09 1oal n GLU 33 Cb 0.53 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 1oal n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1oal s LEU 34 N -0.42 2.54 0.26 -4.62 1.43 -0.85 -2.23 118.68 114.79 1oal s LEU 34 Ca 0.32 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1oal s LEU 34 Cb 0.05 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1oal s LEU 34 CO -0.18 0.04 0.26 0.00 0.23 0.00 0.00 176.35 176.70 1oal s ALA 35 N -2.33 1.11 -1.08 4.21 0.00 0.39 -1.16 121.76 122.91 1oal s ALA 35 Ca 0.27 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1oal s ALA 35 Cb -0.05 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1oal s ALA 35 CO 0.13 -0.67 0.00 -0.25 0.00 0.00 0.00 175.76 174.97 1oal n ASP 36 N -0.75 -3.97 -4.72 0.00 8.00 -0.71 -4.77 116.55 109.63 1oal n ASP 36 Ca 0.03 0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.31 1oal n ASP 36 Cb 0.64 -3.13 -0.06 0.00 -0.02 0.00 0.00 41.12 38.55 1oal n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oal s LEU 37 N -3.52 3.45 0.17 0.64 1.43 -0.86 -5.08 118.68 114.90 1oal s LEU 37 Ca 0.00 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1oal s LEU 37 Cb 0.00 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1oal s LEU 37 CO 0.00 0.00 1.23 0.42 0.23 0.00 0.00 176.35 178.23 1oal s THR 38 N -2.16 3.56 0.42 5.49 -4.23 -1.26 -4.25 115.64 113.21 1oal s THR 38 Ca 0.31 1.27 -0.25 0.00 -1.18 0.00 0.00 61.69 61.84 1oal s THR 38 Cb -0.07 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.86 1oal s THR 38 CO 0.22 0.18 1.19 -2.65 -0.54 0.00 0.00 174.62 173.01 1oal n PRO 39 N 2.79 1.73 0.00 3.99 -0.02 -1.26 -4.69 135.00 137.54 1oal n PRO 39 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1oal n PRO 39 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1oal n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oal n GLY 40 N 0.94 0.43 3.77 -1.23 0.00 -0.11 -4.93 105.19 104.05 1oal n GLY 40 Ca 0.08 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1oal n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oal s GLU 41 N -0.38 4.15 -0.07 1.61 0.41 -1.26 -0.52 118.70 122.64 1oal s GLU 41 Ca 0.00 0.40 0.05 0.00 -0.41 0.00 0.00 54.97 55.01 1oal s GLU 41 Cb 0.00 -3.34 -0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1oal s GLU 41 CO 0.00 0.40 -0.22 -1.01 -0.49 0.00 0.00 175.26 173.94 1oal s HIS 42 N -0.15 2.26 0.43 1.61 3.76 0.25 -3.53 115.29 119.91 1oal s HIS 42 Ca 0.24 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 54.14 1oal s HIS 42 Cb -0.16 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 31.93 1oal s HIS 42 CO 0.11 -0.27 1.22 0.41 -0.85 0.00 0.00 174.74 175.37 1oal n GLY 43 N 3.20 0.40 2.86 -2.22 0.00 0.34 -0.99 105.19 108.78 1oal n GLY 43 Ca -0.18 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1oal n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oal s PHE 44 N -1.22 -0.46 0.04 1.61 5.36 -1.26 -0.69 117.98 121.37 1oal s PHE 44 Ca 0.62 0.56 -0.09 0.00 -0.96 0.00 0.00 56.93 57.06 1oal s PHE 44 Cb -0.51 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 1oal s PHE 44 CO 0.57 -0.58 0.18 -1.01 -1.46 0.00 0.00 175.22 172.92 1oal s HIS 45 N 2.41 0.09 0.01 10.12 3.76 -0.76 -2.71 115.29 128.20 1oal s HIS 45 Ca 0.07 -0.33 -0.27 0.00 -0.15 0.00 0.00 55.06 54.38 1oal s HIS 45 Cb -0.15 -0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 1oal s HIS 45 CO -0.12 -0.42 0.84 0.42 -0.85 0.00 0.00 174.74 174.61 1oal s ILE 46 N -2.63 4.84 0.32 0.60 -1.09 -0.15 -0.90 121.20 122.19 1oal s ILE 46 Ca -0.05 1.78 0.08 0.00 -2.23 0.00 0.00 60.65 60.23 1oal s ILE 46 Cb -0.01 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1oal s ILE 46 CO -0.04 0.26 0.23 -1.00 -1.23 0.00 0.00 174.94 173.15 1oal s HIS 47 N 0.55 2.90 0.07 3.97 3.76 0.44 -0.61 115.29 126.37 1oal s HIS 47 Ca 0.44 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.87 1oal s HIS 47 Cb -0.20 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 1oal s HIS 47 CO 0.24 0.30 1.51 0.37 -0.85 0.00 0.00 174.74 176.32 1oal h GLN 48 N 1.39 0.34 -5.92 1.40 5.75 -0.69 -2.89 115.11 114.49 1oal h GLN 48 Ca -0.45 -0.10 -0.62 0.00 -0.15 0.00 0.00 58.65 57.32 1oal h GLN 48 Cb 1.25 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 1oal h GLN 48 CO 0.60 0.53 -0.39 -0.80 -2.65 0.00 0.00 178.83 176.12 1oal s ASN 49 N -5.83 6.49 -0.96 -0.69 0.01 0.47 -4.59 114.94 109.84 1oal s ASN 49 Ca -0.14 0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 52.47 1oal s ASN 49 Cb 0.07 -2.08 -0.15 0.00 0.41 0.00 0.00 41.25 39.49 1oal s ASN 49 CO 0.73 0.23 3.13 0.61 -1.51 0.00 0.00 177.10 180.29 1oal n GLY 50 N 0.99 3.67 3.26 0.66 0.00 -0.70 -3.34 105.19 109.73 1oal n GLY 50 Ca -0.10 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 1oal n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oal s SER 51 N 2.19 -0.27 0.00 1.61 0.15 -1.26 -4.98 113.70 111.14 1oal s SER 51 Ca 0.66 0.27 0.09 0.00 0.70 0.00 0.00 55.95 57.67 1oal s SER 51 Cb 0.22 0.42 0.21 0.00 -1.71 0.00 0.00 66.02 65.17 1oal s SER 51 CO -0.04 -0.39 1.11 0.00 1.20 0.00 0.00 173.24 175.13 1oal s ALA 53 N -0.95 0.66 0.73 0.00 0.00 -1.26 -3.73 121.76 117.21 1oal s ALA 53 Ca 0.17 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1oal s ALA 53 Cb 0.09 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1oal s ALA 53 CO 0.13 -3.10 1.07 -1.12 0.00 0.00 0.00 175.76 172.74 1oal s SER 54 N -2.86 5.06 0.43 0.00 0.01 -1.26 -0.66 113.70 114.42 1oal s SER 54 Ca 0.66 1.50 0.03 0.00 1.31 0.00 0.00 55.95 59.45 1oal s SER 54 Cb -0.22 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1oal s SER 54 CO 0.60 -1.63 0.11 -1.54 0.41 0.00 0.00 173.24 171.19 1oal n SER 55 N -3.24 1.78 -4.09 2.44 3.41 -0.61 -3.85 113.62 109.46 1oal n SER 55 Ca 0.07 -3.18 -0.16 0.00 -0.26 0.00 0.00 58.87 55.34 1oal n SER 55 Cb 0.55 0.86 -0.12 0.00 -0.26 0.00 0.00 64.21 65.23 1oal n SER 55 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1oal s GLU 56 N -3.62 0.65 -0.04 4.33 4.04 -1.26 -1.14 118.70 121.66 1oal s GLU 56 Ca 0.15 -0.74 -0.01 0.00 0.04 0.00 0.00 54.97 54.41 1oal s GLU 56 Cb 0.01 -0.54 0.03 0.00 0.02 0.00 0.00 34.13 33.65 1oal s GLU 56 CO 0.11 0.12 0.03 0.21 -1.84 0.00 0.00 175.26 173.89 1oal s LYS 57 N -1.39 0.17 -1.45 -4.83 2.20 -0.01 -4.84 119.74 109.60 1oal s LYS 57 Ca -0.05 0.23 -0.11 0.00 -0.36 0.00 0.00 55.97 55.68 1oal s LYS 57 Cb -0.09 -0.59 0.07 0.00 -1.51 0.00 0.00 37.83 35.72 1oal s LYS 57 CO 0.01 -0.26 0.72 -0.25 -0.36 0.00 0.00 175.35 175.20 1oal n ASP 58 N 4.89 -4.49 0.00 1.43 8.00 -1.26 -0.92 116.55 124.21 1oal n ASP 58 Ca -0.12 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1oal n ASP 58 Cb 0.50 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1oal n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oal n GLY 59 N -1.44 0.74 3.59 0.44 0.00 -1.26 -5.03 105.19 102.23 1oal n GLY 59 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1oal n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oal s LYS 60 N -0.14 2.74 0.13 1.61 1.02 -0.09 -5.09 119.74 119.92 1oal s LYS 60 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1oal s LYS 60 Cb 0.00 -2.59 -0.07 0.00 -0.52 0.00 0.00 37.83 34.65 1oal s LYS 60 CO 0.00 0.66 1.21 0.08 -0.92 0.00 0.00 175.35 176.38 1oal s VAL 61 N -0.83 3.74 -0.31 3.17 1.01 -1.26 -0.83 120.40 125.09 1oal s VAL 61 Ca 0.13 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 1oal s VAL 61 Cb -0.11 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1oal s VAL 61 CO 0.02 0.17 0.02 -0.69 0.00 0.00 0.00 175.10 174.62 1oal s VAL 62 N 0.43 2.80 0.33 2.92 1.01 -0.29 -4.92 120.40 122.68 1oal s VAL 62 Ca 0.56 -1.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 1oal s VAL 62 Cb -0.32 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.24 1oal s VAL 62 CO 0.33 -0.25 1.41 -0.76 0.00 0.00 0.00 175.10 175.84 1oal s LEU 63 N 1.16 4.38 0.00 3.92 1.43 -1.26 -1.38 118.68 126.93 1oal s LEU 63 Ca -0.02 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1oal s LEU 63 Cb -0.20 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1oal s LEU 63 CO -0.03 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1oal n GLY 64 N 1.00 0.17 0.28 -3.19 0.00 -1.21 -4.49 105.19 97.75 1oal n GLY 64 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1oal n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oal h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -0.79 -2.58 103.07 101.69 1oal h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oal h GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1oal n ALA 66 N -2.22 1.52 0.68 3.60 0.00 0.17 -1.53 120.51 122.74 1oal n ALA 66 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1oal n ALA 66 Cb 0.21 -1.28 0.42 0.00 0.00 0.00 0.00 19.45 18.79 1oal n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oal n ALA 67 N -1.64 1.89 -0.66 0.00 0.00 -0.97 -4.57 120.51 114.55 1oal n ALA 67 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1oal n ALA 67 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1oal n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oal n GLY 68 N 0.46 0.33 1.48 0.00 0.00 -0.58 -0.39 105.19 106.48 1oal n GLY 68 Ca 0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1oal n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oal n GLY 69 N 0.00 -0.16 3.77 -0.02 0.00 -1.26 -4.65 105.19 102.86 1oal n GLY 69 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1oal n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oal s HIS 70 N -1.51 2.87 0.13 1.61 3.76 -1.26 -0.70 115.29 120.19 1oal s HIS 70 Ca 0.27 1.34 -0.32 0.00 -0.15 0.00 0.00 55.06 56.20 1oal s HIS 70 Cb -0.01 -3.79 -0.11 0.00 1.11 0.00 0.00 32.58 29.78 1oal s HIS 70 CO 0.18 -2.25 1.80 0.98 -0.85 0.00 0.00 174.74 174.60 1oal n TYR 71 N 0.61 2.61 -2.95 1.40 9.36 0.22 -4.55 117.16 123.87 1oal n TYR 71 Ca 0.01 -0.07 -0.14 0.00 3.32 0.00 0.00 57.90 61.02 1oal n TYR 71 Cb 0.41 -2.70 0.02 0.00 -0.63 0.00 0.00 39.34 36.44 1oal n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1oal n ASP 72 N 5.16 -1.07 0.13 2.98 2.03 -1.26 -1.05 116.55 123.47 1oal n ASP 72 Ca 0.18 -3.28 0.11 0.00 0.52 0.00 0.00 54.79 52.32 1oal n ASP 72 Cb 0.36 0.74 0.50 0.00 -0.72 0.00 0.00 41.12 42.00 1oal n ASP 72 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1oal n PRO 73 N 0.69 0.16 -0.34 -0.67 -0.04 -1.26 -1.06 135.00 132.48 1oal n PRO 73 Ca 0.15 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 1oal n PRO 73 Cb 0.65 -1.87 0.30 0.00 -0.04 0.00 0.00 33.50 32.54 1oal n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1oal n GLU 74 N -2.18 2.72 -3.75 0.54 1.02 -1.26 -4.98 120.64 112.74 1oal n GLU 74 Ca 0.01 -2.57 -0.22 0.00 -0.02 0.00 0.00 57.16 54.35 1oal n GLU 74 Cb 0.15 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1oal n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1oal n HIS 75 N 1.53 -1.85 0.05 -0.32 8.25 -0.23 -4.88 115.22 117.77 1oal n HIS 75 Ca 0.23 0.81 -0.06 0.00 -0.26 0.00 0.00 57.72 58.44 1oal n HIS 75 Cb 0.60 -4.21 -0.10 0.00 1.12 0.00 0.00 29.99 27.40 1oal n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1oal h THR 76 N -1.85 1.35 -3.89 1.59 1.35 -1.90 -3.48 112.91 106.07 1oal h THR 76 Ca -0.62 -3.02 -0.37 0.00 -0.55 0.00 0.00 66.41 61.85 1oal h THR 76 Cb 1.36 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1oal h THR 76 CO 0.57 0.77 -0.51 0.59 -0.25 0.00 0.00 175.52 176.69 1oal n ASN 77 N -3.24 -5.26 -3.91 5.36 3.02 -1.26 -4.93 115.26 105.05 1oal n ASN 77 Ca -0.04 -0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.32 1oal n ASN 77 Cb 0.93 -4.35 -0.13 0.00 -0.61 0.00 0.00 39.78 35.62 1oal n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oal s LYS 78 N -5.34 0.15 -0.13 3.52 1.02 -1.26 -5.05 119.74 112.66 1oal s LYS 78 Ca 0.13 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 1oal s LYS 78 Cb -0.06 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1oal s LYS 78 CO 0.16 -0.03 0.11 -1.58 -0.92 0.00 0.00 175.35 173.09 1oal s HIS 79 N -0.61 3.47 0.00 3.18 5.65 -1.26 -0.56 115.29 125.16 1oal s HIS 79 Ca -0.07 0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.66 1oal s HIS 79 Cb -0.04 -1.95 0.00 0.00 -1.18 0.00 0.00 32.58 29.41 1oal s HIS 79 CO -0.00 0.60 0.00 0.41 -0.65 0.00 0.00 174.74 175.10 1oal n GLY 80 N 2.30 3.49 3.94 1.59 0.00 -1.26 -4.16 105.19 111.10 1oal n GLY 80 Ca -0.19 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1oal n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oal s PHE 81 N -0.75 3.24 -0.61 1.61 0.08 -1.26 -4.56 117.98 115.72 1oal s PHE 81 Ca 0.00 0.33 0.23 0.00 0.12 0.00 0.00 56.93 57.61 1oal s PHE 81 Cb 0.00 -2.40 0.91 0.00 -0.57 0.00 0.00 43.02 40.97 1oal s PHE 81 CO 0.00 -0.45 1.70 -2.30 -0.10 0.00 0.00 175.22 174.07 1oal n PRO 82 N -2.18 0.17 -0.12 0.24 -0.02 -1.25 -3.28 135.00 128.56 1oal n PRO 82 Ca 0.02 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1oal n PRO 82 Cb 0.58 -1.80 0.13 0.00 -0.02 0.00 0.00 33.50 32.39 1oal n PRO 82 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1oal n TRP 83 N -2.11 0.18 -4.72 6.00 2.14 -1.26 -4.24 117.44 113.42 1oal n TRP 83 Ca 0.03 -0.83 -0.31 0.00 2.07 0.00 0.00 57.50 58.47 1oal n TRP 83 Cb 0.26 -0.14 -0.13 0.00 -0.81 0.00 0.00 31.31 30.49 1oal n TRP 83 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1oal s THR 84 N -2.29 2.71 -0.12 -1.67 -4.23 -1.21 -5.07 115.64 103.77 1oal s THR 84 Ca 0.25 -1.18 0.17 0.00 -1.18 0.00 0.00 61.69 59.76 1oal s THR 84 Cb 0.21 -2.12 -0.19 0.00 1.34 0.00 0.00 72.50 71.74 1oal s THR 84 CO 0.04 0.36 0.64 0.47 -0.54 0.00 0.00 174.62 175.60 1oal n ASP 85 N 1.65 0.64 -2.22 3.99 8.00 -1.26 -4.38 116.55 122.98 1oal n ASP 85 Ca -0.16 0.29 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 1oal n ASP 85 Cb 0.52 0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 42.05 1oal n ASP 85 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1oal n ASP 86 N -2.83 6.52 -3.33 -2.24 2.03 -1.26 -4.83 116.55 110.61 1oal n ASP 86 Ca -0.14 -3.17 -0.11 0.00 0.52 0.00 0.00 54.79 51.89 1oal n ASP 86 Cb 0.90 -1.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 1oal n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1oal s ASN 87 N 0.19 0.33 0.07 1.67 4.22 -1.26 -4.65 114.94 115.50 1oal s ASN 87 Ca 0.47 -1.20 -0.36 0.00 -2.14 0.00 0.00 52.86 49.63 1oal s ASN 87 Cb 0.33 0.72 -0.15 0.00 1.28 0.00 0.00 41.25 43.42 1oal s ASN 87 CO -0.12 -1.40 1.50 1.41 -2.04 0.00 0.00 177.10 176.45 1oal n HIS 88 N -0.51 1.89 0.30 1.54 8.25 0.28 -4.82 115.22 122.15 1oal n HIS 88 Ca -0.03 0.45 0.18 0.00 -0.26 0.00 0.00 57.72 58.07 1oal n HIS 88 Cb 0.61 -2.44 0.86 0.00 1.12 0.00 0.00 29.99 30.13 1oal n HIS 88 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1oal h LYS 89 N 5.61 0.00 0.00 -0.41 3.64 -1.83 -2.23 116.57 121.35 1oal h LYS 89 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1oal h LYS 89 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1oal h LYS 89 CO 0.84 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.43 1oal n GLY 90 N -0.47 -0.77 3.62 5.01 0.00 -0.21 -4.79 105.19 107.58 1oal n GLY 90 Ca -0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1oal n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oal s ASP 91 N -1.94 6.72 0.31 1.61 1.01 -0.84 -0.98 116.67 122.56 1oal s ASP 91 Ca 0.34 0.88 0.07 0.00 0.71 0.00 0.00 52.55 54.56 1oal s ASP 91 Cb 0.16 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1oal s ASP 91 CO 0.26 -1.10 0.27 -0.76 0.21 0.00 0.00 175.17 174.05 1oal s LEU 92 N 4.25 3.70 0.72 1.23 1.43 -1.10 -3.86 118.68 125.05 1oal s LEU 92 Ca 0.50 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1oal s LEU 92 Cb -0.12 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1oal s LEU 92 CO 0.24 -0.25 1.06 -2.65 0.23 0.00 0.00 176.35 174.99 1oal n PRO 93 N -1.32 0.56 -2.01 1.29 -0.02 -1.26 -4.70 135.00 127.53 1oal n PRO 93 Ca -0.04 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.34 1oal n PRO 93 Cb 0.59 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1oal n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oal s ALA 94 N -1.80 2.54 -0.27 3.55 0.00 -1.26 -4.59 121.76 119.94 1oal s ALA 94 Ca 0.75 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 1oal s ALA 94 Cb -0.34 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1oal s ALA 94 CO 0.49 -1.12 0.27 -1.17 0.00 0.00 0.00 175.76 174.23 1oal s LEU 95 N -4.16 4.04 -0.04 0.00 2.96 -0.16 -4.87 118.68 116.44 1oal s LEU 95 Ca 0.75 0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 54.59 1oal s LEU 95 Cb -0.28 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1oal s LEU 95 CO 0.33 -0.10 0.60 0.12 -1.32 0.00 0.00 176.35 175.98 1oal s PHE 96 N 1.83 3.62 -0.13 5.38 5.36 -1.26 -0.59 117.98 132.20 1oal s PHE 96 Ca 0.11 1.15 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1oal s PHE 96 Cb -0.16 -2.65 -0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1oal s PHE 96 CO 0.10 0.25 -0.17 0.08 -1.46 0.00 0.00 175.22 174.02 1oal s VAL 97 N 0.22 2.63 0.97 3.12 1.01 0.32 -4.32 120.40 124.35 1oal s VAL 97 Ca 0.32 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1oal s VAL 97 Cb -0.17 -2.08 0.17 0.00 0.00 0.00 0.00 36.38 34.30 1oal s VAL 97 CO 0.16 0.53 1.12 -0.94 0.00 0.00 0.00 175.10 175.98 1oal s SER 98 N 0.45 2.98 0.49 3.32 1.04 0.09 -0.94 113.70 121.13 1oal s SER 98 Ca -0.12 1.02 0.20 0.00 0.48 0.00 0.00 55.95 57.53 1oal s SER 98 Cb -0.16 -1.62 1.24 0.00 0.10 0.00 0.00 66.02 65.58 1oal s SER 98 CO 0.05 -2.89 2.00 0.00 0.98 0.00 0.00 173.24 173.39 1oal h ALA 99 N -1.73 2.26 -0.08 5.32 0.00 -1.97 0.12 119.26 123.19 1oal h ALA 99 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1oal h ALA 99 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1oal h ALA 99 CO 0.59 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.72 1oal n ASN 100 N -4.44 0.57 0.00 0.00 2.04 -1.26 -4.81 115.26 107.37 1oal n ASN 100 Ca 0.08 -1.71 0.00 0.00 -0.44 0.00 0.00 54.58 52.51 1oal n ASN 100 Cb 0.46 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 1oal n ASN 100 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1oal n GLY 101 N 0.81 0.61 3.89 4.83 0.00 0.43 -4.73 105.19 111.03 1oal n GLY 101 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1oal n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oal s LEU 102 N 0.00 4.36 -0.23 0.99 1.43 -1.26 -1.74 118.68 122.23 1oal s LEU 102 Ca 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1oal s LEU 102 Cb 0.00 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1oal s LEU 102 CO 0.00 0.31 -0.11 0.00 0.23 0.00 0.00 176.35 176.78 1oal s ALA 103 N -1.22 2.56 0.00 4.21 0.00 -0.31 -0.74 121.76 126.27 1oal s ALA 103 Ca 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1oal s ALA 103 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1oal s ALA 103 CO 0.14 -0.74 0.34 0.25 0.00 0.00 0.00 175.76 175.74 1oal n THR 104 N 4.60 0.11 -2.99 0.00 -2.24 -1.26 -2.01 114.28 110.50 1oal n THR 104 Ca -0.17 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1oal n THR 104 Cb 0.47 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 70.02 1oal n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1oal s ASN 105 N -0.11 6.59 0.54 3.42 3.04 -1.26 -4.68 114.94 122.48 1oal s ASN 105 Ca 0.00 0.52 -0.18 0.00 0.04 0.00 0.00 52.86 53.25 1oal s ASN 105 Cb 0.00 -2.38 -0.06 0.00 -1.54 0.00 0.00 41.25 37.26 1oal s ASN 105 CO 0.00 -0.61 1.05 -2.16 -3.04 0.00 0.00 177.10 172.34 1oal s PRO 106 N 2.90 3.58 0.08 0.43 0.04 -1.26 -4.60 135.00 136.17 1oal s PRO 106 Ca 0.30 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1oal s PRO 106 Cb -0.14 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1oal s PRO 106 CO 0.13 -0.61 -0.07 0.14 0.04 0.00 0.00 177.00 176.64 1oal s VAL 107 N -2.24 0.63 -0.09 -0.36 -7.23 -0.65 -4.98 120.40 105.48 1oal s VAL 107 Ca 0.65 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1oal s VAL 107 Cb -0.16 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1oal s VAL 107 CO 0.29 -0.76 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.99 1oal s LEU 108 N -2.69 2.97 -0.44 1.32 2.96 -1.26 -0.57 118.68 120.97 1oal s LEU 108 Ca 0.06 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1oal s LEU 108 Cb 0.02 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 45.17 1oal s LEU 108 CO -0.04 0.29 0.23 0.00 -1.32 0.00 0.00 176.35 175.51 1oal s ALA 109 N -0.36 3.21 0.20 5.97 0.00 0.23 -4.55 121.76 126.45 1oal s ALA 109 Ca 0.05 -2.64 0.36 0.00 0.00 0.00 0.00 51.96 49.72 1oal s ALA 109 Cb -0.12 -2.44 1.62 0.00 0.00 0.00 0.00 23.12 22.17 1oal s ALA 109 CO 0.02 -1.84 2.06 -1.00 0.00 0.00 0.00 175.76 175.00 1oal h PRO 110 N 7.90 0.00 0.00 0.00 0.13 -1.77 -1.80 132.00 136.45 1oal h PRO 110 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1oal h PRO 110 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1oal h PRO 110 CO 0.70 0.00 -0.53 0.54 -0.23 0.00 0.00 178.00 178.47 1oal n ARG 111 N -3.00 0.01 -3.93 0.86 1.74 -1.26 -4.54 116.66 106.55 1oal n ARG 111 Ca -0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1oal n ARG 111 Cb 0.23 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 1oal n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oal s LEU 112 N -3.06 4.35 0.14 0.55 1.43 -1.14 -5.07 118.68 115.89 1oal s LEU 112 Ca 0.11 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1oal s LEU 112 Cb 0.17 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1oal s LEU 112 CO 0.71 0.12 -0.05 0.42 0.23 0.00 0.00 176.35 177.77 1oal s THR 113 N -1.61 3.53 0.20 5.49 -4.23 -1.26 -3.68 115.64 114.07 1oal s THR 113 Ca 0.35 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1oal s THR 113 Cb -0.12 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 71.12 1oal s THR 113 CO 0.28 -0.01 1.73 0.25 -0.54 0.00 0.00 174.62 176.33 1oal h LEU 114 N 3.12 1.09 -1.50 4.79 5.85 -1.93 -3.04 115.31 123.69 1oal h LEU 114 Ca -0.48 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.10 1oal h LEU 114 Cb 1.19 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1oal h LEU 114 CO 0.55 1.03 0.43 0.11 -0.34 0.00 0.00 178.44 180.22 1oal h LYS 115 N 1.10 0.57 0.00 1.25 1.57 -2.01 -1.64 116.57 117.42 1oal h LYS 115 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1oal h LYS 115 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1oal h LYS 115 CO -0.00 0.38 0.00 -0.85 -0.57 0.00 0.00 179.45 178.41 1oal n GLU 116 N -4.48 0.02 0.15 3.15 0.28 -1.15 -3.69 120.64 114.93 1oal n GLU 116 Ca 0.10 0.05 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 1oal n GLU 116 Cb 0.28 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.84 1oal n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1oal h LEU 117 N 0.00 0.00 -9.72 -1.84 3.38 -1.37 -3.46 115.31 102.29 1oal h LEU 117 Ca 0.00 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 1oal h LEU 117 Cb 0.44 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.28 1oal h LEU 117 CO 0.00 0.01 0.73 0.29 0.09 0.00 0.00 178.44 179.56 1oal n LYS 118 N -2.70 2.38 -0.65 1.13 5.02 -1.24 -1.94 118.16 120.16 1oal n LYS 118 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1oal n LYS 118 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1oal n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oal n GLY 119 N 1.88 1.05 4.03 0.72 0.00 0.53 -5.02 105.19 108.38 1oal n GLY 119 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1oal n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oal s HIS 120 N -3.39 1.73 0.06 1.61 3.76 -0.82 -1.73 115.29 116.52 1oal s HIS 120 Ca 0.00 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.34 1oal s HIS 120 Cb 0.00 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1oal s HIS 120 CO 0.00 -1.00 -0.16 0.00 -0.85 0.00 0.00 174.74 172.73 1oal s ALA 121 N -2.61 2.71 -0.21 -1.40 0.00 -1.09 -0.63 121.76 118.53 1oal s ALA 121 Ca 0.60 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1oal s ALA 121 Cb -0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1oal s ALA 121 CO 0.38 0.59 0.13 0.42 0.00 0.00 0.00 175.76 177.28 1oal s ILE 122 N -1.02 5.32 -0.03 0.00 1.01 0.56 -0.42 121.20 126.63 1oal s ILE 122 Ca 0.17 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.05 1oal s ILE 122 Cb -0.11 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1oal s ILE 122 CO 0.08 0.42 -0.25 -0.32 0.00 0.00 0.00 174.94 174.87 1oal s MET 123 N 0.52 2.18 -0.10 2.79 1.75 -0.08 -1.58 119.30 124.78 1oal s MET 123 Ca 0.07 -0.91 0.03 0.00 -1.25 0.00 0.00 55.69 53.63 1oal s MET 123 Cb -0.12 -2.08 -0.01 0.00 2.84 0.00 0.00 34.83 35.47 1oal s MET 123 CO -0.00 0.55 -0.20 0.42 -0.65 0.00 0.00 175.02 175.14 1oal s ILE 124 N -0.58 2.43 0.36 10.11 1.01 -0.01 -1.83 121.20 132.69 1oal s ILE 124 Ca 0.09 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1oal s ILE 124 Cb -0.10 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1oal s ILE 124 CO -0.00 0.55 0.41 -1.00 0.00 0.00 0.00 174.94 174.89 1oal s HIS 125 N 0.26 2.92 0.01 3.97 3.76 0.14 -0.59 115.29 125.76 1oal s HIS 125 Ca -0.14 -0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 1oal s HIS 125 Cb -0.17 -2.02 -0.17 0.00 1.11 0.00 0.00 32.58 31.33 1oal s HIS 125 CO 0.07 -0.03 1.35 0.00 -0.85 0.00 0.00 174.74 175.29 1oal h ALA 126 N 1.00 0.07 -4.04 -1.40 0.00 -0.41 -3.38 119.26 111.10 1oal h ALA 126 Ca -0.44 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 53.90 1oal h ALA 126 Cb 1.26 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 19.15 1oal h ALA 126 CO 0.54 -0.18 0.27 0.41 0.00 0.00 0.00 179.25 180.29 1oal n GLY 127 N 0.03 -0.89 0.00 0.00 0.00 0.68 -4.86 105.19 100.15 1oal n GLY 127 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1oal n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oal n GLY 128 N -1.54 1.19 3.01 -0.02 0.00 -1.23 -0.50 105.19 106.09 1oal n GLY 128 Ca 0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 1oal n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oal s ASP 129 N -1.00 -0.42 0.00 1.61 -1.08 -1.23 -2.79 116.67 111.76 1oal s ASP 129 Ca 0.00 0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.16 1oal s ASP 129 Cb 0.00 1.50 0.32 0.00 -1.46 0.00 0.00 42.92 43.27 1oal s ASP 129 CO 0.00 -0.32 1.26 -0.46 0.52 0.00 0.00 175.17 176.17 1oal n ASN 130 N 5.38 1.79 -3.58 -0.34 6.94 -0.85 -4.88 115.26 119.72 1oal n ASN 130 Ca 0.01 -1.99 -0.23 0.00 -0.02 0.00 0.00 54.58 52.35 1oal n ASN 130 Cb 0.51 -0.22 0.08 0.00 -2.36 0.00 0.00 39.78 37.79 1oal n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1oal n HIS 131 N 0.48 -2.83 -3.71 -2.53 8.25 -1.26 -4.98 115.22 108.63 1oal n HIS 131 Ca 0.11 1.01 -0.10 0.00 -0.26 0.00 0.00 57.72 58.49 1oal n HIS 131 Cb 0.28 -5.05 -0.05 0.00 1.12 0.00 0.00 29.99 26.29 1oal n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1oal s SER 132 N -3.42 -0.15 0.00 0.41 0.15 -1.26 -4.09 113.70 105.34 1oal s SER 132 Ca 0.53 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.89 1oal s SER 132 Cb -0.24 0.45 0.39 0.00 -1.71 0.00 0.00 66.02 64.92 1oal s SER 132 CO 0.73 -0.85 1.33 0.47 1.20 0.00 0.00 173.24 176.12 1oal n ASP 133 N -0.20 2.36 -4.06 5.45 8.00 -1.26 -0.45 116.55 126.39 1oal n ASP 133 Ca -0.15 -2.00 -0.20 0.00 0.71 0.00 0.00 54.79 53.15 1oal n ASP 133 Cb 0.63 -0.29 -0.15 0.00 -0.02 0.00 0.00 41.12 41.29 1oal n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1oal s MET 134 N -1.41 0.94 0.00 -1.24 -1.94 -1.26 -3.12 119.30 111.26 1oal s MET 134 Ca 0.30 -0.40 0.30 0.00 -1.71 0.00 0.00 55.69 54.18 1oal s MET 134 Cb 0.15 -0.90 1.39 0.00 2.01 0.00 0.00 34.83 37.48 1oal s MET 134 CO 0.20 0.23 1.98 -0.35 -0.01 0.00 0.00 175.02 177.07 1oal n PRO 135 N 2.87 0.43 -4.44 2.03 -0.04 -1.26 -4.97 135.00 129.61 1oal n PRO 135 Ca -0.14 -0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.03 1oal n PRO 135 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 1oal n PRO 135 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1oal s LYS 136 N -2.61 1.16 0.57 0.54 1.02 -1.24 -5.07 119.74 114.11 1oal s LYS 136 Ca 0.26 -0.95 -0.20 0.00 0.02 0.00 0.00 55.97 55.10 1oal s LYS 136 Cb 0.20 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 1oal s LYS 136 CO 0.48 0.32 1.05 0.00 -0.92 0.00 0.00 175.35 176.28 1oal n ALA 137 N 1.62 0.46 -2.99 5.17 0.00 -1.18 -3.19 120.51 120.40 1oal n ALA 137 Ca -0.18 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1oal n ALA 137 Cb 0.54 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1oal n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oal n LEU 138 N -0.70 -2.54 0.00 0.00 4.77 -1.25 -1.74 117.00 115.54 1oal n LEU 138 Ca 0.13 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1oal n LEU 138 Cb 0.46 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 1oal n LEU 138 CO 0.51 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1oal n GLY 139 N -1.46 0.56 2.09 -0.72 0.00 0.41 -3.10 105.19 102.97 1oal n GLY 139 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1oal n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oal n GLY 140 N -2.22 0.53 0.30 -0.02 0.00 -0.71 -2.01 105.19 101.06 1oal n GLY 140 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1oal n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oal h GLY 141 N 0.00 0.69 0.00 -0.02 0.00 -1.45 -3.32 103.07 98.97 1oal h GLY 141 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1oal h GLY 141 CO 0.05 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.51 1oal n GLY 142 N -1.21 3.05 3.72 4.60 0.00 -1.26 -0.23 105.19 113.86 1oal n GLY 142 Ca 0.04 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1oal n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oal n ALA 143 N 9.99 0.88 -2.70 4.61 0.00 -1.26 -4.71 120.51 127.32 1oal n ALA 143 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1oal n ALA 143 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 1oal n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oal s ARG 144 N -3.53 4.36 -0.07 0.00 0.52 -1.26 -0.26 118.95 118.71 1oal s ARG 144 Ca 0.81 0.75 0.08 0.00 -0.52 0.00 0.00 55.73 56.85 1oal s ARG 144 Cb -0.36 -3.48 -0.12 0.00 0.52 0.00 0.00 34.95 31.51 1oal s ARG 144 CO 0.43 -0.02 0.08 1.33 0.02 0.00 0.00 175.30 177.14 1oal n VAL 145 N 4.04 0.43 -3.80 3.52 0.24 0.25 -4.81 118.33 118.20 1oal n VAL 145 Ca -0.02 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 1oal n VAL 145 Cb 0.51 -0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 1oal n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oal s ALA 146 N -2.33 -0.60 -0.04 2.33 0.00 -0.97 -0.68 121.76 119.46 1oal s ALA 146 Ca -0.04 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 1oal s ALA 146 Cb 0.04 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.33 1oal s ALA 146 CO 0.37 -0.27 0.53 0.00 0.00 0.00 0.00 175.76 176.39 1oal s GLY 148 N -1.23 -0.19 -0.16 0.00 0.00 -0.62 -1.29 107.32 103.83 1oal s GLY 148 Ca -0.12 0.31 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 1oal s GLY 148 CO 0.08 0.09 0.32 0.14 0.00 0.00 0.00 173.10 173.72 1oal s VAL 149 N -1.79 5.28 -0.23 1.40 1.01 -1.26 -0.32 120.40 124.49 1oal s VAL 149 Ca -0.10 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1oal s VAL 149 Cb -0.03 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1oal s VAL 149 CO 0.02 0.37 1.08 -0.63 0.00 0.00 0.00 175.10 175.94 1oal s ILE 150 N 0.58 4.59 -2.67 2.22 1.01 0.19 -4.70 121.20 122.42 1oal s ILE 150 Ca 0.18 1.91 0.27 0.00 0.00 0.00 0.00 60.65 63.01 1oal s ILE 150 Cb -0.13 -4.26 0.42 0.00 0.01 0.00 0.00 42.46 38.50 1oal s ILE 150 CO 0.05 -0.20 1.58 0.00 0.00 0.00 0.00 174.94 176.37