#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9s n THR 2 N 0.00 0.00 -4.01 0.00 -2.24 -1.26 -4.70 114.28 102.07 2c9s n THR 2 Ca 0.00 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2c9s n THR 2 Cb 0.00 0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 2c9s n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2c9s s LYS 3 N -2.19 0.40 0.16 -0.78 1.02 -1.26 -1.12 119.74 115.97 2c9s s LYS 3 Ca -0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 2c9s s LYS 3 Cb 0.05 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 2c9s s LYS 3 CO 0.33 -0.03 0.19 0.00 -0.92 0.00 0.00 175.35 174.91 2c9s s ALA 4 N -1.68 0.52 0.04 5.17 0.00 -0.16 -1.18 121.76 124.45 2c9s s ALA 4 Ca -0.12 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 2c9s s ALA 4 Cb -0.08 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2c9s s ALA 4 CO -0.01 -0.59 0.30 0.54 0.00 0.00 0.00 175.76 175.99 2c9s s VAL 5 N -4.04 0.08 -0.13 0.00 0.11 -0.14 -0.93 120.40 115.35 2c9s s VAL 5 Ca 0.24 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.55 2c9s s VAL 5 Cb 0.05 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 2c9s s VAL 5 CO 0.04 -0.37 0.29 0.00 -3.33 0.00 0.00 175.10 171.72 2c9s s VAL 7 N 1.70 5.14 -0.22 0.00 1.01 -1.26 -1.37 120.40 125.39 2c9s s VAL 7 Ca -0.06 0.73 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 2c9s s VAL 7 Cb -0.11 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2c9s s VAL 7 CO -0.10 0.15 0.28 -0.76 0.00 0.00 0.00 175.10 174.67 2c9s s LEU 8 N 1.99 4.13 0.02 3.92 1.43 -0.02 -3.70 118.68 126.46 2c9s s LEU 8 Ca 0.18 0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2c9s s LEU 8 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 2c9s s LEU 8 CO 0.09 -0.01 -0.03 -0.54 0.23 0.00 0.00 176.35 176.09 2c9s s LYS 9 N 1.22 0.35 0.00 1.70 1.02 -0.55 -1.53 119.74 121.95 2c9s s LYS 9 Ca 0.13 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2c9s s LYS 9 Cb -0.14 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2c9s s LYS 9 CO 0.06 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2c9s n GLY 10 N 1.42 4.33 0.02 -3.33 0.00 -1.24 -1.01 105.19 105.38 2c9s n GLY 10 Ca -0.23 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 44.94 2c9s n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c9s n ASP 11 N 0.00 0.53 0.00 1.61 8.00 -1.26 -4.93 116.55 120.50 2c9s n ASP 11 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2c9s n ASP 11 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2c9s n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c9s n GLY 12 N 1.44 5.13 0.02 0.44 0.00 -1.26 -5.03 105.19 105.93 2c9s n GLY 12 Ca 0.05 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.54 2c9s n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c9s n PRO 13 N 0.00 0.23 -2.71 1.61 -0.04 -1.26 -4.87 135.00 127.96 2c9s n PRO 13 Ca 0.00 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 2c9s n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2c9s n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2c9s s VAL 14 N -2.80 4.80 0.01 0.52 1.01 -1.26 -4.30 120.40 118.38 2c9s s VAL 14 Ca 0.20 2.01 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 2c9s s VAL 14 Cb 0.19 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2c9s s VAL 14 CO 0.53 0.03 0.39 0.00 0.00 0.00 0.00 175.10 176.05 2c9s s GLN 15 N 1.90 0.82 0.16 2.72 -2.07 -0.79 -3.69 119.66 118.72 2c9s s GLN 15 Ca 0.48 -0.23 -0.23 0.00 -1.82 0.00 0.00 55.36 53.56 2c9s s GLN 15 Cb -0.18 0.37 0.08 0.00 -1.09 0.00 0.00 33.01 32.18 2c9s s GLN 15 CO 0.18 -0.26 1.03 0.20 -1.32 0.00 0.00 175.29 175.13 2c9s s GLY 16 N -1.62 -0.02 -0.04 2.60 0.00 -0.58 -0.37 107.32 107.29 2c9s s GLY 16 Ca -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 2c9s s GLY 16 CO 0.02 1.55 0.01 -0.42 0.00 0.00 0.00 173.10 174.26 2c9s s ILE 17 N -2.52 0.20 -0.08 0.90 -1.09 -0.56 -0.84 121.20 117.20 2c9s s ILE 17 Ca 0.18 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 2c9s s ILE 17 Cb -0.02 -0.32 0.01 0.00 -1.58 0.00 0.00 42.46 40.56 2c9s s ILE 17 CO 0.04 0.17 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.15 2c9s s ILE 18 N 1.31 1.35 0.04 2.92 -1.09 -0.47 -1.70 121.20 123.56 2c9s s ILE 18 Ca -0.06 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2c9s s ILE 18 Cb -0.13 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2c9s s ILE 18 CO -0.02 0.41 0.01 0.20 -1.23 0.00 0.00 174.94 174.30 2c9s s ASN 19 N 0.77 5.12 -0.02 3.58 -0.87 0.88 -0.71 114.94 123.68 2c9s s ASN 19 Ca -0.12 -0.07 0.04 0.00 -1.57 0.00 0.00 52.86 51.14 2c9s s ASN 19 Cb -0.16 -1.30 -0.00 0.00 -0.02 0.00 0.00 41.25 39.77 2c9s s ASN 19 CO 0.02 0.23 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.29 2c9s s PHE 20 N -1.19 1.29 -0.02 2.20 0.40 -0.10 -1.27 117.98 119.29 2c9s s PHE 20 Ca 0.23 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2c9s s PHE 20 Cb -0.12 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.58 2c9s s PHE 20 CO 0.14 -0.08 0.02 -2.00 0.70 0.00 0.00 175.22 174.00 2c9s s GLU 21 N -0.09 0.06 -0.23 0.44 2.12 0.02 -0.99 118.70 120.03 2c9s s GLU 21 Ca 0.01 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 2c9s s GLU 21 Cb -0.08 -0.32 0.06 0.00 0.26 0.00 0.00 34.13 34.06 2c9s s GLU 21 CO 0.00 -0.16 -0.01 -1.14 -0.54 0.00 0.00 175.26 173.41 2c9s s GLN 22 N 1.08 1.22 0.17 4.30 0.74 -0.27 -1.04 119.66 125.87 2c9s s GLN 22 Ca -0.09 -0.83 -0.08 0.00 0.05 0.00 0.00 55.36 54.41 2c9s s GLN 22 Cb -0.13 -2.40 0.05 0.00 1.10 0.00 0.00 33.01 31.63 2c9s s GLN 22 CO -0.03 -0.65 1.52 0.87 -0.55 0.00 0.00 175.29 176.45 2c9s h LYS 23 N 8.05 0.82 -5.53 1.67 1.57 -1.83 -3.43 116.57 117.90 2c9s h LYS 23 Ca -0.17 -0.42 -0.48 0.00 -1.87 0.00 0.00 60.65 57.72 2c9s h LYS 23 Cb 1.08 0.01 -0.25 0.00 0.08 0.00 0.00 32.23 33.15 2c9s h LYS 23 CO 0.39 1.05 -0.80 -1.83 -0.57 0.00 0.00 179.45 177.69 2c9s s GLU 24 N -4.38 1.04 0.29 3.15 -1.05 -1.26 -5.05 118.70 111.45 2c9s s GLU 24 Ca -0.10 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.60 2c9s s GLU 24 Cb 0.12 -1.08 -0.12 0.00 -0.44 0.00 0.00 34.13 32.61 2c9s s GLU 24 CO 0.86 0.27 1.52 -1.13 0.95 0.00 0.00 175.26 177.73 2c9s n SER 25 N 1.82 3.54 0.00 0.83 3.41 -1.26 -0.55 113.62 121.41 2c9s n SER 25 Ca -0.18 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2c9s n SER 25 Cb 0.54 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2c9s n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2c9s n ASN 26 N 1.87 0.00 -3.84 4.04 2.04 -1.26 -5.00 115.26 113.12 2c9s n ASN 26 Ca 0.08 0.00 -0.30 0.00 -0.44 0.00 0.00 54.58 53.92 2c9s n ASN 26 Cb 0.36 0.00 0.23 0.00 -2.53 0.00 0.00 39.78 37.84 2c9s n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2c9s s GLY 27 N -0.73 1.65 0.58 4.83 0.00 0.29 -4.98 107.32 108.96 2c9s s GLY 27 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 2c9s s GLY 27 CO 0.00 -0.20 1.20 2.56 0.00 0.00 0.00 173.10 176.66 2c9s s PRO 28 N -5.60 3.05 -0.21 2.90 0.04 -1.26 -4.87 135.00 129.05 2c9s s PRO 28 Ca 0.73 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 63.52 2c9s s PRO 28 Cb -0.07 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2c9s s PRO 28 CO 0.55 -1.14 0.05 0.08 0.04 0.00 0.00 177.00 176.58 2c9s s VAL 29 N -1.60 4.37 -0.02 -0.36 1.01 0.28 -4.26 120.40 119.82 2c9s s VAL 29 Ca 0.76 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2c9s s VAL 29 Cb -0.30 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2c9s s VAL 29 CO 0.33 0.41 0.75 -0.75 0.00 0.00 0.00 175.10 175.84 2c9s s LYS 30 N 1.00 4.47 -0.17 2.72 2.20 -0.20 -0.87 119.74 128.88 2c9s s LYS 30 Ca 0.03 1.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.65 2c9s s LYS 30 Cb -0.14 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2c9s s LYS 30 CO 0.03 0.13 -0.19 0.08 -0.36 0.00 0.00 175.35 175.04 2c9s s VAL 31 N 0.50 1.94 -0.00 4.02 1.01 -0.33 -0.80 120.40 126.74 2c9s s VAL 31 Ca 0.39 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 2c9s s VAL 31 Cb -0.19 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2c9s s VAL 31 CO 0.21 0.52 0.30 -1.66 0.00 0.00 0.00 175.10 174.47 2c9s s TRP 32 N 1.34 -0.15 -5.00 5.22 -2.14 -0.40 -0.25 118.94 117.56 2c9s s TRP 32 Ca 0.05 0.19 0.00 0.00 2.66 0.00 0.00 56.10 59.00 2c9s s TRP 32 Cb -0.13 0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.33 2c9s s TRP 32 CO -0.12 -0.41 0.00 0.41 -2.66 0.00 0.00 176.95 174.17 2c9s n GLY 33 N 1.15 -0.37 3.22 3.67 0.00 -0.87 -0.08 105.19 111.91 2c9s n GLY 33 Ca -0.21 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2c9s n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9s s SER 34 N -4.00 -0.23 -0.03 1.61 1.04 -0.69 -0.44 113.70 110.95 2c9s s SER 34 Ca 0.00 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.73 2c9s s SER 34 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2c9s s SER 34 CO 0.00 -0.32 -0.11 -0.63 0.98 0.00 0.00 173.24 173.16 2c9s s ILE 35 N -0.79 0.95 0.34 -1.02 1.01 -0.40 -1.50 121.20 119.80 2c9s s ILE 35 Ca -0.09 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.19 2c9s s ILE 35 Cb -0.04 -0.84 -0.07 0.00 0.01 0.00 0.00 42.46 41.52 2c9s s ILE 35 CO 0.03 0.29 -0.01 -1.59 0.00 0.00 0.00 174.94 173.66 2c9s s LYS 36 N 0.24 1.74 0.00 2.79 -2.85 0.50 -0.44 119.74 121.72 2c9s s LYS 36 Ca -0.05 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 2c9s s LYS 36 Cb -0.10 -1.29 0.00 0.00 -2.06 0.00 0.00 37.83 34.38 2c9s s LYS 36 CO 0.01 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.83 2c9s n GLY 37 N -0.76 0.46 3.95 0.59 0.00 -0.96 -1.88 105.19 106.58 2c9s n GLY 37 Ca -0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 2c9s n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9s s LEU 38 N 0.00 3.70 0.43 0.99 1.43 -0.55 -4.26 118.68 120.43 2c9s s LEU 38 Ca 0.00 0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.25 2c9s s LEU 38 Cb 0.00 -3.25 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 2c9s s LEU 38 CO 0.00 -0.63 1.01 0.42 0.23 0.00 0.00 176.35 177.38 2c9s s THR 39 N -2.53 3.99 0.21 5.49 -4.23 -1.26 -4.05 115.64 113.26 2c9s s THR 39 Ca 0.47 1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 62.01 2c9s s THR 39 Cb -0.10 -3.60 -0.11 0.00 1.34 0.00 0.00 72.50 70.03 2c9s s THR 39 CO 0.38 -0.17 1.58 -0.70 -0.54 0.00 0.00 174.62 175.17 2c9s s GLU 40 N -2.93 4.19 0.00 3.99 -6.30 -1.26 -4.63 118.70 111.77 2c9s s GLU 40 Ca 0.62 2.44 0.00 0.00 -2.50 0.00 0.00 54.97 55.53 2c9s s GLU 40 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.87 2c9s s GLU 40 CO 0.20 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2c9s n GLY 41 N 3.19 0.74 3.79 -1.50 0.00 -0.30 -4.94 105.19 106.17 2c9s n GLY 41 Ca 0.12 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 2c9s n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9s s LEU 42 N 0.00 4.49 -0.06 0.99 1.43 -1.26 -0.94 118.68 123.34 2c9s s LEU 42 Ca 0.00 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2c9s s LEU 42 Cb 0.00 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.32 2c9s s LEU 42 CO 0.00 0.21 -0.06 -1.00 0.23 0.00 0.00 176.35 175.74 2c9s s HIS 43 N -0.80 0.93 0.53 0.29 3.76 0.14 -2.95 115.29 117.19 2c9s s HIS 43 Ca 0.30 -0.30 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 2c9s s HIS 43 Cb -0.19 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.64 2c9s s HIS 43 CO 0.19 -0.25 1.31 0.41 -0.85 0.00 0.00 174.74 175.55 2c9s n GLY 44 N 4.19 0.64 2.60 -2.22 0.00 -0.19 -0.98 105.19 109.23 2c9s n GLY 44 Ca -0.22 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2c9s n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2c9s s PHE 45 N -1.30 0.18 0.04 1.61 5.36 -0.03 -0.61 117.98 123.24 2c9s s PHE 45 Ca 0.71 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 56.26 2c9s s PHE 45 Cb -0.43 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.50 2c9s s PHE 45 CO 0.50 -0.63 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.53 2c9s s HIS 46 N 2.15 0.81 -0.29 10.12 3.76 -0.58 -2.47 115.29 128.79 2c9s s HIS 46 Ca 0.05 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 2c9s s HIS 46 Cb -0.16 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 2c9s s HIS 46 CO -0.19 -0.04 0.45 0.08 -0.85 0.00 0.00 174.74 174.19 2c9s s VAL 47 N -1.18 5.10 0.32 -0.90 1.01 -0.01 -0.73 120.40 124.02 2c9s s VAL 47 Ca -0.06 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2c9s s VAL 47 Cb -0.09 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2c9s s VAL 47 CO 0.01 0.02 0.53 -1.00 0.00 0.00 0.00 175.10 174.66 2c9s s HIS 48 N 2.21 3.49 0.14 5.22 3.76 0.84 -1.03 115.29 129.93 2c9s s HIS 48 Ca 0.17 0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 55.35 2c9s s HIS 48 Cb -0.16 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.62 2c9s s HIS 48 CO 0.11 0.16 1.64 1.49 -0.85 0.00 0.00 174.74 177.29 2c9s h GLU 49 N 1.06 0.77 -5.90 1.40 4.81 -0.84 -2.76 114.58 113.13 2c9s h GLU 49 Ca -0.49 -0.19 -0.68 0.00 -0.13 0.00 0.00 59.36 57.87 2c9s h GLU 49 Cb 1.21 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 2c9s h GLU 49 CO 0.63 0.76 -0.60 -0.06 -0.73 0.00 0.00 179.01 179.01 2c9s s PHE 50 N -5.27 3.23 -0.22 0.92 0.08 -0.19 -4.65 117.98 111.88 2c9s s PHE 50 Ca -0.13 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 2c9s s PHE 50 Cb 0.11 -1.82 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2c9s s PHE 50 CO 0.79 0.50 2.99 0.41 -0.10 0.00 0.00 175.22 179.82 2c9s n GLY 51 N 2.16 3.64 3.24 4.36 0.00 -1.00 -3.45 105.19 114.14 2c9s n GLY 51 Ca -0.19 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2c9s n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c9s s ASP 52 N 1.13 5.48 -0.30 1.61 -1.08 -1.26 -4.92 116.67 117.34 2c9s s ASP 52 Ca 0.55 -1.50 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 2c9s s ASP 52 Cb 0.32 -1.93 0.46 0.00 -1.46 0.00 0.00 42.92 40.31 2c9s s ASP 52 CO -0.09 -0.49 1.18 0.59 0.52 0.00 0.00 175.17 176.88 2c9s n ASN 53 N 4.83 4.54 0.22 -0.34 3.02 -1.26 -3.32 115.26 122.95 2c9s n ASN 53 Ca -0.09 -3.56 0.06 0.00 -0.03 0.00 0.00 54.58 50.96 2c9s n ASN 53 Cb 0.43 -0.36 0.56 0.00 -0.61 0.00 0.00 39.78 39.80 2c9s n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2c9s h THR 54 N 2.57 1.07 -1.05 3.41 1.35 -1.94 -2.51 112.91 115.80 2c9s h THR 54 Ca 0.31 -0.28 -0.59 0.00 -0.55 0.00 0.00 66.41 65.29 2c9s h THR 54 Cb 1.48 1.09 -0.40 0.00 -1.73 0.00 0.00 68.15 68.59 2c9s h THR 54 CO 0.70 0.09 -0.44 0.00 -0.25 0.00 0.00 175.52 175.62 2c9s n ALA 55 N -2.52 5.32 -0.99 6.62 0.00 -1.26 -5.07 120.51 122.61 2c9s n ALA 55 Ca -0.02 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.52 2c9s n ALA 55 Cb 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2c9s n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9s n GLY 56 N -0.67 3.53 0.02 0.00 0.00 -0.95 -2.97 105.19 104.14 2c9s n GLY 56 Ca 0.46 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.48 2c9s n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9s h THR 58 N 0.08 1.41 0.00 0.00 2.02 -1.87 -2.80 112.91 111.75 2c9s h THR 58 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2c9s h THR 58 Cb 0.49 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2c9s h THR 58 CO 0.00 0.69 0.00 -1.20 0.37 0.00 0.00 175.52 175.38 2c9s n SER 59 N -3.78 0.00 0.02 4.18 7.64 -1.25 -3.11 113.62 117.33 2c9s n SER 59 Ca -0.05 0.13 0.10 0.00 1.01 0.00 0.00 58.87 60.07 2c9s n SER 59 Cb 0.76 -0.15 0.44 0.00 -1.01 0.00 0.00 64.21 64.25 2c9s n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c9s n ALA 60 N -1.15 1.92 -0.06 -0.43 0.00 -1.06 -4.50 120.51 115.24 2c9s n ALA 60 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2c9s n ALA 60 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2c9s n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9s n GLY 61 N 0.58 -1.85 3.90 0.00 0.00 -1.18 -1.02 105.19 105.62 2c9s n GLY 61 Ca 0.05 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2c9s n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9s s PRO 62 N 0.00 0.08 0.42 1.61 0.04 -1.26 -4.61 135.00 131.28 2c9s s PRO 62 Ca 0.00 -0.50 -0.26 0.00 0.04 0.00 0.00 61.00 60.28 2c9s s PRO 62 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2c9s s PRO 62 CO 0.00 -2.78 1.36 -1.01 0.04 0.00 0.00 177.00 174.61 2c9s s HIS 63 N -3.85 2.66 -0.07 0.56 3.76 -1.26 -0.82 115.29 116.27 2c9s s HIS 63 Ca 0.76 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.72 2c9s s HIS 63 Cb -0.03 -3.79 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 2c9s s HIS 63 CO 0.54 -2.48 1.68 0.12 -0.85 0.00 0.00 174.74 173.76 2c9s s PHE 64 N -1.23 1.93 -0.38 1.40 5.36 -0.20 -4.51 117.98 120.35 2c9s s PHE 64 Ca 0.58 0.20 0.11 0.00 -0.96 0.00 0.00 56.93 56.86 2c9s s PHE 64 Cb -0.41 -3.94 0.34 0.00 -0.34 0.00 0.00 43.02 38.68 2c9s s PHE 64 CO 0.52 -3.86 0.79 -1.71 -1.46 0.00 0.00 175.22 169.50 2c9s n ASN 65 N 7.39 0.35 0.24 6.13 5.15 -1.26 -1.25 115.26 132.00 2c9s n ASN 65 Ca 0.18 -3.11 0.17 0.00 -0.60 0.00 0.00 54.58 51.21 2c9s n ASN 65 Cb 0.43 -0.24 0.82 0.00 -0.53 0.00 0.00 39.78 40.26 2c9s n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2c9s h PRO 66 N 3.01 0.00 -0.47 1.20 0.13 -1.90 -2.38 132.00 131.59 2c9s h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2c9s h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2c9s h PRO 66 CO 0.44 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 2c9s n LEU 67 N -2.70 3.29 -3.66 1.56 4.77 -1.26 -4.98 117.00 114.02 2c9s n LEU 67 Ca -0.01 -1.89 -0.22 0.00 -0.03 0.00 0.00 56.01 53.86 2c9s n LEU 67 Cb 0.13 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2c9s n LEU 67 CO 0.18 0.80 0.01 -1.20 -1.33 0.00 0.00 177.39 175.86 2c9s n SER 68 N 1.02 -2.13 -5.01 -1.43 7.64 -0.90 -4.99 113.62 107.82 2c9s n SER 68 Ca 0.17 -0.75 -0.20 0.00 1.01 0.00 0.00 58.87 59.10 2c9s n SER 68 Cb 0.51 -4.33 0.04 0.00 -1.01 0.00 0.00 64.21 59.41 2c9s n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2c9s s ARG 69 N -5.94 2.45 0.57 1.43 1.81 -1.26 -5.14 118.95 112.87 2c9s s ARG 69 Ca 0.12 -1.56 -0.03 0.00 -1.72 0.00 0.00 55.73 52.54 2c9s s ARG 69 Cb -0.06 -2.62 0.02 0.00 -0.45 0.00 0.00 34.95 31.85 2c9s s ARG 69 CO 0.79 -0.65 0.84 0.15 -0.68 0.00 0.00 175.30 175.75 2c9s s LYS 70 N -4.52 2.71 0.27 3.54 1.02 -1.26 -4.74 119.74 116.74 2c9s s LYS 70 Ca 0.57 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 2c9s s LYS 70 Cb -0.06 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 2c9s s LYS 70 CO 0.35 -0.72 1.19 -1.58 -0.92 0.00 0.00 175.35 173.67 2c9s s HIS 71 N -2.89 3.39 0.00 3.18 5.65 -0.58 -2.81 115.29 121.24 2c9s s HIS 71 Ca 0.55 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.40 2c9s s HIS 71 Cb -0.10 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 2c9s s HIS 71 CO 0.42 -1.10 0.00 0.41 -0.65 0.00 0.00 174.74 173.81 2c9s n GLY 72 N 1.38 3.66 3.97 1.59 0.00 -1.23 -4.39 105.19 110.16 2c9s n GLY 72 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 2c9s n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c9s s GLY 73 N 0.00 1.91 0.58 -0.02 0.00 -1.23 -4.69 107.32 103.87 2c9s s GLY 73 Ca 0.00 -1.67 0.36 0.00 0.00 0.00 0.00 44.72 43.41 2c9s s GLY 73 CO 0.00 -1.52 2.10 -0.56 0.00 0.00 0.00 173.10 173.12 2c9s h PRO 74 N 0.81 0.00 -0.01 2.90 0.13 -1.87 -1.62 132.00 132.33 2c9s h PRO 74 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2c9s h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2c9s h PRO 74 CO 0.50 0.02 -0.10 1.63 -0.23 0.00 0.00 178.00 179.82 2c9s n LYS 75 N -3.16 1.37 -3.21 0.86 5.02 -1.26 -4.90 118.16 112.88 2c9s n LYS 75 Ca -0.01 -0.81 -0.34 0.00 -2.02 0.00 0.00 58.31 55.13 2c9s n LYS 75 Cb 0.24 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2c9s n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c9s s ASP 76 N -2.19 6.84 0.11 4.39 1.01 -0.61 -4.99 116.67 121.23 2c9s s ASP 76 Ca 0.32 1.23 -0.15 0.00 0.71 0.00 0.00 52.55 54.66 2c9s s ASP 76 Cb 0.20 -2.35 -0.06 0.00 1.01 0.00 0.00 42.92 41.73 2c9s s ASP 76 CO 0.41 -0.06 1.49 -0.08 0.21 0.00 0.00 175.17 177.13 2c9s h GLU 77 N 2.87 0.68 -5.50 8.23 4.22 -1.90 -3.38 114.58 119.80 2c9s h GLU 77 Ca -0.48 -0.28 -0.64 0.00 0.08 0.00 0.00 59.36 58.04 2c9s h GLU 77 Cb 1.18 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 2c9s h GLU 77 CO 0.66 0.88 0.93 -2.00 -2.18 0.00 0.00 179.01 177.30 2c9s s GLU 78 N -4.67 3.43 0.12 1.92 2.56 -1.26 -4.93 118.70 115.87 2c9s s GLU 78 Ca -0.13 -1.24 -0.16 0.00 0.00 0.00 0.00 54.97 53.44 2c9s s GLU 78 Cb 0.09 -4.78 0.03 0.00 2.00 0.00 0.00 34.13 31.48 2c9s s GLU 78 CO 0.81 -1.92 0.39 -0.98 -0.56 0.00 0.00 175.26 173.00 2c9s s ARG 79 N 3.83 1.05 0.52 4.30 1.70 -1.15 -3.56 118.95 125.65 2c9s s ARG 79 Ca 0.33 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.73 2c9s s ARG 79 Cb -0.07 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 2c9s s ARG 79 CO -0.02 -0.40 0.99 -1.01 -1.08 0.00 0.00 175.30 173.78 2c9s s HIS 80 N -3.71 3.39 0.26 5.89 3.76 -1.12 -4.64 115.29 119.11 2c9s s HIS 80 Ca 0.02 1.48 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 2c9s s HIS 80 Cb 0.02 -2.82 0.47 0.00 1.11 0.00 0.00 32.58 31.36 2c9s s HIS 80 CO -0.11 -0.46 1.79 0.28 -0.85 0.00 0.00 174.74 175.39 2c9s h VAL 81 N 0.88 0.83 0.00 -0.90 2.07 -1.86 -2.07 116.25 115.20 2c9s h VAL 81 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2c9s h VAL 81 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2c9s h VAL 81 CO 0.61 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.94 2c9s n GLY 82 N -1.32 -0.90 3.48 2.17 0.00 -0.38 -4.44 105.19 103.80 2c9s n GLY 82 Ca 0.16 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2c9s n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c9s s ASP 83 N -1.24 6.57 -0.04 1.61 1.01 -0.78 -0.83 116.67 122.96 2c9s s ASP 83 Ca 0.07 -1.83 0.20 0.00 0.71 0.00 0.00 52.55 51.70 2c9s s ASP 83 Cb 0.03 -2.44 0.65 0.00 1.01 0.00 0.00 42.92 42.17 2c9s s ASP 83 CO 0.05 -1.20 1.55 0.18 0.21 0.00 0.00 175.17 175.96 2c9s n LEU 84 N 7.20 4.11 0.00 1.23 4.77 -1.03 -3.34 117.00 129.94 2c9s n LEU 84 Ca 0.24 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2c9s n LEU 84 Cb 0.49 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2c9s n LEU 84 CO 0.55 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2c9s n GLY 85 N 1.43 0.67 3.20 -0.72 0.00 -1.16 -4.78 105.19 103.83 2c9s n GLY 85 Ca 0.24 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2c9s n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c9s s ASN 86 N -4.00 1.84 0.30 1.61 0.01 -1.26 -0.85 114.94 112.58 2c9s s ASN 86 Ca 0.00 -0.70 0.07 0.00 -0.71 0.00 0.00 52.86 51.52 2c9s s ASN 86 Cb 0.00 -0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 2c9s s ASN 86 CO 0.00 -0.10 0.32 0.68 -1.51 0.00 0.00 177.10 176.49 2c9s s VAL 87 N -1.63 4.19 -0.18 1.60 -7.23 -0.16 -4.89 120.40 112.11 2c9s s VAL 87 Ca 0.03 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2c9s s VAL 87 Cb -0.08 -3.41 0.03 0.00 0.56 0.00 0.00 36.38 33.48 2c9s s VAL 87 CO 0.03 -0.24 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.53 2c9s s THR 88 N -2.18 1.78 0.01 5.32 2.01 -1.26 -0.68 115.64 120.64 2c9s s THR 88 Ca 0.39 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.36 2c9s s THR 88 Cb -0.08 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 2c9s s THR 88 CO 0.28 0.38 0.39 0.00 -0.69 0.00 0.00 174.62 174.97 2c9s s ALA 89 N 1.38 3.72 0.80 7.40 0.00 -0.12 -4.09 121.76 130.85 2c9s s ALA 89 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2c9s s ALA 89 Cb -0.14 -2.33 0.15 0.00 0.00 0.00 0.00 23.12 20.80 2c9s s ALA 89 CO -0.10 0.51 0.95 -0.25 0.00 0.00 0.00 175.76 176.87 2c9s n ASP 90 N 1.63 0.77 0.18 0.00 8.00 -0.52 -1.15 116.55 125.45 2c9s n ASP 90 Ca -0.13 -1.77 0.13 0.00 0.71 0.00 0.00 54.79 53.73 2c9s n ASP 90 Cb 0.53 -0.66 0.61 0.00 -0.02 0.00 0.00 41.12 41.57 2c9s n ASP 90 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2c9s h LYS 91 N 0.00 0.00 -0.00 -1.24 1.79 -1.96 -0.37 116.57 114.79 2c9s h LYS 91 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2c9s h LYS 91 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2c9s h LYS 91 CO 0.29 0.00 -0.05 -0.25 -1.08 0.00 0.00 179.45 178.36 2c9s n ASP 92 N -2.42 0.24 0.00 0.86 8.00 -1.26 -4.88 116.55 117.09 2c9s n ASP 92 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2c9s n ASP 92 Cb 0.17 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2c9s n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c9s n GLY 93 N 1.23 0.57 3.68 0.44 0.00 -0.15 -4.74 105.19 106.22 2c9s n GLY 93 Ca 0.16 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2c9s n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9s s VAL 94 N -2.00 5.04 -0.25 1.61 1.01 -1.26 -1.48 120.40 123.07 2c9s s VAL 94 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2c9s s VAL 94 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2c9s s VAL 94 CO 0.00 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.59 2c9s s ALA 95 N 0.26 2.98 -0.22 5.51 0.00 0.42 -1.44 121.76 129.27 2c9s s ALA 95 Ca 0.06 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2c9s s ALA 95 Cb -0.12 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2c9s s ALA 95 CO -0.00 -0.59 0.61 0.16 0.00 0.00 0.00 175.76 175.94 2c9s s ASP 96 N 1.52 6.62 -0.23 0.00 1.47 -1.26 -1.27 116.67 123.53 2c9s s ASP 96 Ca 0.05 0.76 -0.09 0.00 1.18 0.00 0.00 52.55 54.45 2c9s s ASP 96 Cb -0.15 -2.34 -0.04 0.00 -0.34 0.00 0.00 42.92 40.05 2c9s s ASP 96 CO 0.00 -0.30 0.11 -0.69 0.68 0.00 0.00 175.17 174.98 2c9s s VAL 97 N 2.11 4.96 -0.41 2.11 1.01 0.41 -4.79 120.40 125.80 2c9s s VAL 97 Ca 0.27 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2c9s s VAL 97 Cb -0.16 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.10 2c9s s VAL 97 CO 0.09 0.37 0.50 -0.55 0.00 0.00 0.00 175.10 175.52 2c9s s SER 98 N 1.04 0.02 0.15 3.32 0.15 -1.25 -2.05 113.70 115.07 2c9s s SER 98 Ca 0.06 -1.57 0.10 0.00 0.70 0.00 0.00 55.95 55.23 2c9s s SER 98 Cb -0.14 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 2c9s s SER 98 CO 0.04 -0.19 -0.18 -0.63 1.20 0.00 0.00 173.24 173.48 2c9s s ILE 99 N 1.28 2.76 -0.06 6.45 1.01 0.66 -4.98 121.20 128.32 2c9s s ILE 99 Ca 0.21 -1.67 0.03 0.00 0.00 0.00 0.00 60.65 59.22 2c9s s ILE 99 Cb -0.08 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.11 2c9s s ILE 99 CO -0.06 0.01 -0.13 -0.70 0.00 0.00 0.00 174.94 174.06 2c9s s GLU 100 N -2.39 1.69 -0.01 2.79 2.12 -1.26 -1.19 118.70 120.45 2c9s s GLU 100 Ca 0.20 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2c9s s GLU 100 Cb -0.10 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.88 2c9s s GLU 100 CO 0.11 0.07 -0.05 0.34 -0.54 0.00 0.00 175.26 175.19 2c9s s ASP 101 N 0.52 0.63 0.00 -1.70 2.15 -0.05 -4.97 116.67 113.24 2c9s s ASP 101 Ca -0.12 -0.09 0.15 0.00 0.43 0.00 0.00 52.55 52.91 2c9s s ASP 101 Cb -0.15 -0.13 0.33 0.00 -0.30 0.00 0.00 42.92 42.67 2c9s s ASP 101 CO 0.03 0.03 1.24 -1.54 -0.17 0.00 0.00 175.17 174.76 2c9s n SER 102 N 3.22 2.96 -0.13 -0.34 3.41 -1.26 -0.56 113.62 120.92 2c9s n SER 102 Ca -0.16 -1.89 -0.26 0.00 -0.26 0.00 0.00 58.87 56.30 2c9s n SER 102 Cb 0.56 -0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 2c9s n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2c9s n VAL 103 N 0.87 1.46 -1.24 -3.33 0.31 -1.26 -4.86 118.33 110.27 2c9s n VAL 103 Ca 0.14 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.72 2c9s n VAL 103 Cb 0.46 -1.74 0.11 0.00 -0.91 0.00 0.00 33.84 31.76 2c9s n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2c9s s ILE 104 N -2.49 2.36 0.09 2.52 -4.36 -1.26 -4.88 121.20 113.18 2c9s s ILE 104 Ca -0.36 0.15 -0.05 0.00 -0.26 0.00 0.00 60.65 60.13 2c9s s ILE 104 Cb 0.13 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 2c9s s ILE 104 CO 0.50 -0.11 0.11 -0.55 0.24 0.00 0.00 174.94 175.12 2c9s s SER 105 N -2.32 0.26 -0.13 4.36 0.15 -0.97 -4.61 113.70 110.44 2c9s s SER 105 Ca 0.71 -0.88 0.17 0.00 0.70 0.00 0.00 55.95 56.65 2c9s s SER 105 Cb -0.26 0.30 0.67 0.00 -1.71 0.00 0.00 66.02 65.02 2c9s s SER 105 CO 0.49 -0.71 1.59 0.18 1.20 0.00 0.00 173.24 175.99 2c9s n LEU 106 N -0.03 4.63 -3.83 3.45 4.77 -1.26 -1.81 117.00 122.92 2c9s n LEU 106 Ca -0.12 -2.55 -0.09 0.00 -0.03 0.00 0.00 56.01 53.21 2c9s n LEU 106 Cb 0.62 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2c9s n LEU 106 CO 0.26 0.76 0.20 -0.94 -1.33 0.00 0.00 177.39 176.34 2c9s s SER 107 N -1.04 -0.16 0.36 -1.43 1.04 -1.26 -4.19 113.70 107.02 2c9s s SER 107 Ca 0.48 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2c9s s SER 107 Cb 0.33 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2c9s s SER 107 CO 0.21 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2c9s n GLY 108 N -0.32 -0.71 0.24 7.32 0.00 -1.26 -4.13 105.19 106.33 2c9s n GLY 108 Ca -0.08 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.89 2c9s n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2c9s h ASP 109 N 0.00 0.00 -2.95 1.61 3.58 -2.01 -3.46 116.42 113.19 2c9s h ASP 109 Ca 0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2c9s h ASP 109 Cb 0.00 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.89 2c9s h ASP 109 CO 0.00 0.17 0.31 -1.00 -2.88 0.00 0.00 179.24 175.84 2c9s s HIS 110 N -4.26 2.87 0.00 0.28 3.76 -1.26 -4.87 115.29 111.82 2c9s s HIS 110 Ca -0.03 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2c9s s HIS 110 Cb 0.14 -4.00 0.00 0.00 1.11 0.00 0.00 32.58 29.83 2c9s s HIS 110 CO 0.63 -1.36 0.00 0.44 -0.85 0.00 0.00 174.74 173.60 2c9s n ILE 112 N 5.79 0.00 -1.84 0.60 -5.35 -0.75 -2.29 119.36 115.52 2c9s n ILE 112 Ca -0.05 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 2c9s n ILE 112 Cb 0.45 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 2c9s n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2c9s s ILE 113 N 0.00 2.29 0.00 7.28 1.01 -1.26 -2.00 121.20 128.51 2c9s s ILE 113 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2c9s s ILE 113 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2c9s s ILE 113 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2c9s n GLY 114 N 3.26 0.76 3.97 6.18 0.00 0.92 -4.99 105.19 115.29 2c9s n GLY 114 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2c9s n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c9s s ARG 115 N -0.34 2.37 -0.16 1.61 0.52 -0.85 -2.38 118.95 119.72 2c9s s ARG 115 Ca 0.00 -1.70 -0.04 0.00 -0.52 0.00 0.00 55.73 53.47 2c9s s ARG 115 Cb 0.00 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 2c9s s ARG 115 CO 0.00 -0.64 -0.03 0.99 0.02 0.00 0.00 175.30 175.64 2c9s s THR 116 N -2.64 3.95 -0.07 0.02 2.01 -1.04 -0.73 115.64 117.15 2c9s s THR 116 Ca 0.51 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 2c9s s THR 116 Cb -0.05 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2c9s s THR 116 CO 0.32 0.48 0.46 -0.22 -0.69 0.00 0.00 174.62 174.96 2c9s s LEU 117 N 0.46 4.36 -0.03 4.42 2.96 -0.28 -0.11 118.68 130.46 2c9s s LEU 117 Ca -0.03 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 2c9s s LEU 117 Cb -0.14 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 2c9s s LEU 117 CO 0.03 0.13 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.38 2c9s s VAL 118 N -0.08 0.99 -0.10 1.68 1.01 0.09 -2.10 120.40 121.90 2c9s s VAL 118 Ca 0.25 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2c9s s VAL 118 Cb -0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2c9s s VAL 118 CO 0.12 0.29 -0.05 0.54 0.00 0.00 0.00 175.10 176.00 2c9s s VAL 119 N 0.07 3.82 0.29 2.92 0.11 -0.63 -1.52 120.40 125.46 2c9s s VAL 119 Ca -0.02 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2c9s s VAL 119 Cb -0.09 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.13 2c9s s VAL 119 CO 0.01 0.57 0.21 -1.00 -3.33 0.00 0.00 175.10 171.55 2c9s s HIS 120 N -0.47 2.98 0.20 1.54 3.76 0.22 -1.09 115.29 122.43 2c9s s HIS 120 Ca 0.07 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 2c9s s HIS 120 Cb -0.12 -1.53 0.12 0.00 1.11 0.00 0.00 32.58 32.16 2c9s s HIS 120 CO 0.02 0.41 1.85 1.49 -0.85 0.00 0.00 174.74 177.66 2c9s h GLU 121 N 1.45 0.90 -5.47 1.40 4.81 -0.82 -3.36 114.58 113.48 2c9s h GLU 121 Ca -0.47 -0.07 -0.64 0.00 -0.13 0.00 0.00 59.36 58.05 2c9s h GLU 121 Cb 1.25 -0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.31 2c9s h GLU 121 CO 0.60 0.62 -0.52 0.15 -0.73 0.00 0.00 179.01 179.14 2c9s s LYS 122 N -6.06 2.14 0.38 1.92 1.02 0.33 -4.90 119.74 114.57 2c9s s LYS 122 Ca -0.13 -2.22 -0.26 0.00 0.02 0.00 0.00 55.97 53.38 2c9s s LYS 122 Cb 0.14 -1.67 -0.09 0.00 -0.52 0.00 0.00 37.83 35.70 2c9s s LYS 122 CO 0.77 -0.27 1.17 0.00 -0.92 0.00 0.00 175.35 176.10 2c9s s ALA 123 N -2.79 3.21 -0.07 5.17 0.00 -1.15 -1.02 121.76 125.10 2c9s s ALA 123 Ca 0.20 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2c9s s ALA 123 Cb 0.04 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2c9s s ALA 123 CO 0.11 -0.49 1.05 0.34 0.00 0.00 0.00 175.76 176.76 2c9s s ASP 124 N -1.07 7.22 0.00 0.00 -1.08 -1.26 -3.82 116.67 116.66 2c9s s ASP 124 Ca 0.55 1.63 0.15 0.00 -0.52 0.00 0.00 52.55 54.36 2c9s s ASP 124 Cb -0.31 -2.56 0.70 0.00 -1.46 0.00 0.00 42.92 39.28 2c9s s ASP 124 CO 0.40 -0.44 1.48 -0.90 0.52 0.00 0.00 175.17 176.22 2c9s n ASP 125 N 4.79 0.77 -1.82 -0.34 5.68 -0.14 -4.89 116.55 120.60 2c9s n ASP 125 Ca 0.09 -1.69 -0.18 0.00 -0.50 0.00 0.00 54.79 52.51 2c9s n ASP 125 Cb 0.49 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 2c9s n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c9s n LEU 126 N -0.22 -1.65 0.00 -2.12 4.77 -1.26 -2.36 117.00 114.17 2c9s n LEU 126 Ca 0.12 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2c9s n LEU 126 Cb 0.17 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 2c9s n LEU 126 CO 0.09 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 2c9s n GLY 127 N -0.93 2.81 1.17 -0.72 0.00 -1.23 -3.47 105.19 102.83 2c9s n GLY 127 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 2c9s n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c9s n LYS 128 N -0.41 1.59 -2.40 1.61 4.76 -0.99 -4.37 118.16 117.95 2c9s n LYS 128 Ca 0.00 -0.82 -0.25 0.00 -2.87 0.00 0.00 58.31 54.36 2c9s n LYS 128 Cb 0.00 -1.45 0.13 0.00 -1.84 0.00 0.00 35.03 31.87 2c9s n LYS 128 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2c9s s GLY 129 N 0.18 1.77 0.00 0.72 0.00 -1.26 -5.00 107.32 103.72 2c9s s GLY 129 Ca 0.15 -1.60 0.20 0.00 0.00 0.00 0.00 44.72 43.47 2c9s s GLY 129 CO 0.03 -0.96 1.64 0.61 0.00 0.00 0.00 173.10 174.42 2c9s n GLY 130 N -3.12 -1.16 3.32 0.20 0.00 -1.26 -4.90 105.19 98.27 2c9s n GLY 130 Ca 0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2c9s n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9s s ASN 131 N -2.94 0.90 0.19 1.61 2.20 -1.26 -5.06 114.94 110.58 2c9s s ASN 131 Ca 0.11 -1.52 -0.09 0.00 -0.94 0.00 0.00 52.86 50.42 2c9s s ASN 131 Cb 0.13 0.52 0.10 0.00 -2.00 0.00 0.00 41.25 40.00 2c9s s ASN 131 CO 0.36 -1.04 1.70 -0.08 -2.94 0.00 0.00 177.10 175.10 2c9s h GLU 132 N 2.30 1.11 0.00 3.55 4.81 -1.99 -2.46 114.58 121.90 2c9s h GLU 132 Ca -0.29 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2c9s h GLU 132 Cb 1.24 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2c9s h GLU 132 CO 0.42 1.00 -0.06 1.49 -0.73 0.00 0.00 179.01 181.13 2c9s h GLU 133 N 1.04 0.00 -0.88 1.92 4.81 -1.98 -2.21 114.58 117.28 2c9s h GLU 133 Ca 0.21 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 2c9s h GLU 133 Cb 0.40 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2c9s h GLU 133 CO 0.01 0.06 0.57 1.03 -0.73 0.00 0.00 179.01 179.95 2c9s h SER 134 N 0.00 0.87 -0.00 1.04 0.87 -1.76 -0.18 113.55 114.38 2c9s h SER 134 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2c9s h SER 134 Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2c9s h SER 134 CO 0.01 0.55 0.00 0.35 -0.53 0.00 0.00 176.83 177.21 2c9s n THR 135 N -4.49 0.00 0.00 2.23 -2.24 -0.83 -2.61 114.28 106.35 2c9s n THR 135 Ca 0.13 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2c9s n THR 135 Cb 0.21 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 2c9s n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c9s n LYS 136 N -0.89 0.05 0.00 -0.78 5.02 -0.60 -1.53 118.16 119.43 2c9s n LYS 136 Ca 0.23 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2c9s n LYS 136 Cb 0.12 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2c9s n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c9s n THR 137 N -3.22 0.00 -0.64 -0.18 -2.24 -0.18 -4.58 114.28 103.24 2c9s n THR 137 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2c9s n THR 137 Cb 0.41 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2c9s n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c9s n GLY 138 N 2.59 0.76 3.76 3.38 0.00 -1.06 -4.43 105.19 110.18 2c9s n GLY 138 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2c9s n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c9s n ASN 139 N 0.00 -5.16 -1.09 1.61 3.02 -1.26 -0.97 115.26 111.42 2c9s n ASN 139 Ca 0.00 -0.68 0.08 0.00 -0.03 0.00 0.00 54.58 53.95 2c9s n ASN 139 Cb 0.00 -4.39 0.25 0.00 -0.61 0.00 0.00 39.78 35.03 2c9s n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c9s n ALA 140 N -4.78 2.62 -0.18 5.41 0.00 -1.25 -4.72 120.51 117.61 2c9s n ALA 140 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2c9s n ALA 140 Cb 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2c9s n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9s n GLY 141 N 1.19 -1.21 3.60 0.00 0.00 -1.26 -0.51 105.19 107.00 2c9s n GLY 141 Ca 0.18 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 2c9s n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c9s n SER 142 N -0.39 0.02 -4.50 1.61 7.64 -1.26 -4.58 113.62 112.15 2c9s n SER 142 Ca 0.00 0.54 -0.43 0.00 1.01 0.00 0.00 58.87 59.99 2c9s n SER 142 Cb 0.00 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 2c9s n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2c9s s ARG 143 N -3.75 3.27 0.04 1.43 0.52 -1.26 -0.69 118.95 118.52 2c9s s ARG 143 Ca 0.69 -0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2c9s s ARG 143 Cb -0.29 -4.04 -0.27 0.00 0.52 0.00 0.00 34.95 30.87 2c9s s ARG 143 CO 0.55 -1.29 1.01 -0.07 0.02 0.00 0.00 175.30 175.52 2c9s h LEU 144 N 10.29 0.36 -7.15 2.53 3.38 -1.42 -3.48 115.31 119.83 2c9s h LEU 144 Ca -0.26 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.22 2c9s h LEU 144 Cb 1.08 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 2c9s h LEU 144 CO 1.01 1.36 0.08 0.00 0.09 0.00 0.00 178.44 180.98 2c9s s ALA 145 N -2.64 -1.39 0.22 1.53 0.00 -1.15 -4.00 121.76 114.33 2c9s s ALA 145 Ca -0.06 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 2c9s s ALA 145 Cb 0.07 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.76 2c9s s ALA 145 CO 0.86 -0.58 0.81 0.00 0.00 0.00 0.00 175.76 176.85 2c9s s GLY 147 N -2.91 -0.24 -0.01 0.00 0.00 -0.89 -1.48 107.32 101.79 2c9s s GLY 147 Ca 0.11 0.13 -0.19 0.00 0.00 0.00 0.00 44.72 44.76 2c9s s GLY 147 CO 0.04 0.02 0.55 0.14 0.00 0.00 0.00 173.10 173.85 2c9s s VAL 148 N -3.42 4.94 -0.19 1.40 1.01 -1.26 -1.12 120.40 121.76 2c9s s VAL 148 Ca 0.11 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 2c9s s VAL 148 Cb -0.02 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2c9s s VAL 148 CO 0.02 0.44 1.00 -0.63 0.00 0.00 0.00 175.10 175.93 2c9s s ILE 149 N -0.30 4.73 0.24 2.22 1.01 0.09 -4.56 121.20 124.63 2c9s s ILE 149 Ca 0.29 1.98 0.09 0.00 0.00 0.00 0.00 60.65 63.01 2c9s s ILE 149 Cb -0.18 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2c9s s ILE 149 CO 0.16 -0.11 -0.03 -0.83 0.00 0.00 0.00 174.94 174.13 2c9s s GLY 150 N 1.18 1.69 0.24 6.18 0.00 0.40 -0.05 107.32 116.95 2c9s s GLY 150 Ca 0.44 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 2c9s s GLY 150 CO 0.10 -1.63 1.25 -0.42 0.00 0.00 0.00 173.10 172.40 2c9s s ILE 151 N -2.11 3.21 0.32 0.90 1.01 -1.26 -0.97 121.20 122.29 2c9s s ILE 151 Ca 0.29 1.08 0.10 0.00 0.00 0.00 0.00 60.65 62.12 2c9s s ILE 151 Cb -0.07 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2c9s s ILE 151 CO 0.18 0.20 -0.03 0.00 0.00 0.00 0.00 174.94 175.30 2c9s s ALA 152 N -0.45 3.10 -2.00 9.38 0.00 -0.33 -4.80 121.76 126.67 2c9s s ALA 152 Ca 0.52 -1.92 0.13 0.00 0.00 0.00 0.00 51.96 50.69 2c9s s ALA 152 Cb -0.36 -0.38 0.78 0.00 0.00 0.00 0.00 23.12 23.17 2c9s s ALA 152 CO 0.42 0.13 1.21 0.94 0.00 0.00 0.00 175.76 178.46