#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbj n THR 2 N 0.00 0.00 -3.96 0.00 5.66 -1.26 -4.69 114.28 110.03 1cbj n THR 2 Ca 0.00 -0.21 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 1cbj n THR 2 Cb 0.00 0.51 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 1cbj n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1cbj s LYS 3 N -2.26 0.16 0.13 1.09 1.02 -1.26 -1.03 119.74 117.58 1cbj s LYS 3 Ca -0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 1cbj s LYS 3 Cb 0.05 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1cbj s LYS 3 CO 0.28 0.03 0.07 0.00 -0.92 0.00 0.00 175.35 174.81 1cbj s ALA 4 N -0.19 0.77 0.02 5.17 0.00 -0.05 -1.71 121.76 125.77 1cbj s ALA 4 Ca -0.01 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 1cbj s ALA 4 Cb -0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1cbj s ALA 4 CO -0.00 -0.49 0.18 0.54 0.00 0.00 0.00 175.76 175.98 1cbj s VAL 5 N -4.03 0.10 -0.04 0.00 0.11 -0.17 -0.79 120.40 115.58 1cbj s VAL 5 Ca 0.22 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1cbj s VAL 5 Cb 0.07 -0.73 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1cbj s VAL 5 CO 0.01 -0.45 0.10 0.00 -3.33 0.00 0.00 175.10 171.43 1cbj s VAL 7 N 0.87 4.63 -0.07 0.00 1.01 -1.26 -0.83 120.40 124.76 1cbj s VAL 7 Ca -0.07 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1cbj s VAL 7 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1cbj s VAL 7 CO -0.04 0.27 0.60 -0.76 0.00 0.00 0.00 175.10 175.17 1cbj s LEU 8 N 1.66 4.33 0.10 3.92 1.43 0.94 -3.96 118.68 127.10 1cbj s LEU 8 Ca 0.06 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1cbj s LEU 8 Cb -0.16 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1cbj s LEU 8 CO 0.06 -0.02 0.11 -0.54 0.23 0.00 0.00 176.35 176.20 1cbj s LYS 9 N 0.48 0.84 0.00 1.70 1.02 -0.60 -2.39 119.74 120.79 1cbj s LYS 9 Ca 0.32 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1cbj s LYS 9 Cb -0.17 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1cbj s LYS 9 CO 0.15 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1cbj n GLY 10 N -0.04 3.08 0.02 -3.33 0.00 -1.26 -1.14 105.19 102.52 1cbj n GLY 10 Ca -0.12 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1cbj n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbj n ASP 11 N 0.00 0.62 0.00 1.61 8.00 -1.26 -4.91 116.55 120.61 1cbj n ASP 11 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1cbj n ASP 11 Cb 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1cbj n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cbj n GLY 12 N 1.49 3.07 0.04 0.44 0.00 -1.26 -5.04 105.19 103.93 1cbj n GLY 12 Ca 0.06 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.25 1cbj n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cbj n PRO 13 N 0.00 0.24 -2.41 1.61 -0.04 -1.26 -4.89 135.00 128.24 1cbj n PRO 13 Ca 0.00 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1cbj n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1cbj n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cbj s VAL 14 N -2.82 4.02 0.08 0.52 1.01 -1.26 -4.37 120.40 117.58 1cbj s VAL 14 Ca 0.18 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.54 1cbj s VAL 14 Cb 0.19 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1cbj s VAL 14 CO 0.57 0.10 0.13 -1.10 0.00 0.00 0.00 175.10 174.80 1cbj s GLN 15 N 1.14 0.80 0.00 2.72 -0.21 -0.86 -4.10 119.66 119.15 1cbj s GLN 15 Ca 0.59 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1cbj s GLN 15 Cb -0.29 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.02 1cbj s GLN 15 CO 0.29 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 1cbj n GLY 16 N -0.03 0.64 2.95 3.09 0.00 -1.01 0.04 105.19 110.88 1cbj n GLY 16 Ca -0.14 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 1cbj n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cbj s THR 17 N -2.00 1.01 -0.09 2.61 2.01 -0.89 -0.04 115.64 118.25 1cbj s THR 17 Ca 0.00 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1cbj s THR 17 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 1cbj s THR 17 CO 0.00 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.43 1cbj s ILE 18 N 1.17 2.33 0.04 1.82 -1.09 -0.01 -2.71 121.20 122.75 1cbj s ILE 18 Ca -0.05 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.47 1cbj s ILE 18 Cb -0.14 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 1cbj s ILE 18 CO -0.02 0.56 -0.07 -1.00 -1.23 0.00 0.00 174.94 173.18 1cbj s HIS 19 N 0.09 2.86 -0.04 3.97 3.76 0.46 -0.82 115.29 125.57 1cbj s HIS 19 Ca -0.10 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1cbj s HIS 19 Cb -0.16 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.98 1cbj s HIS 19 CO 0.06 0.39 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.14 1cbj s PHE 20 N -1.08 1.45 -0.02 1.40 0.40 0.03 -1.37 117.98 118.79 1cbj s PHE 20 Ca 0.19 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1cbj s PHE 20 Cb -0.11 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.45 1cbj s PHE 20 CO 0.10 -0.16 0.01 -2.00 0.70 0.00 0.00 175.22 173.88 1cbj s GLU 21 N 0.15 0.16 -0.32 0.44 2.12 -0.11 -0.87 118.70 120.27 1cbj s GLU 21 Ca -0.05 0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.12 1cbj s GLU 21 Cb -0.11 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 33.91 1cbj s GLU 21 CO 0.02 -0.14 1.03 0.00 -0.54 0.00 0.00 175.26 175.62 1cbj s ALA 22 N 1.01 3.50 -0.23 6.30 0.00 -0.20 -1.10 121.76 131.04 1cbj s ALA 22 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1cbj s ALA 22 Cb -0.13 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.42 1cbj s ALA 22 CO -0.02 -1.45 -0.14 0.15 0.00 0.00 0.00 175.76 174.30 1cbj s LYS 23 N 3.55 2.44 7.47 0.00 -0.14 -0.52 -4.99 119.74 127.55 1cbj s LYS 23 Ca 0.43 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.88 1cbj s LYS 23 Cb -0.12 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 1cbj s LYS 23 CO 0.15 -0.46 0.00 0.41 -0.76 0.00 0.00 175.35 174.69 1cbj n GLY 24 N 4.50 2.71 1.21 -3.33 0.00 -1.26 -1.97 105.19 107.05 1cbj n GLY 24 Ca -0.16 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1cbj n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbj n ASP 25 N 6.81 3.97 -4.26 1.61 8.00 -1.26 -4.99 116.55 126.42 1cbj n ASP 25 Ca 0.00 -2.23 -0.27 0.00 0.71 0.00 0.00 54.79 53.00 1cbj n ASP 25 Cb 0.00 -0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 1cbj n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1cbj s THR 26 N -1.43 0.76 -0.11 -3.53 -1.32 -0.83 -5.05 115.64 104.13 1cbj s THR 26 Ca 0.43 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.94 1cbj s THR 26 Cb 0.25 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 1cbj s THR 26 CO 0.24 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.73 1cbj s VAL 27 N -3.15 2.06 -0.19 5.08 1.01 -1.24 -1.43 120.40 122.54 1cbj s VAL 27 Ca 0.22 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1cbj s VAL 27 Cb 0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1cbj s VAL 27 CO 0.13 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.14 1cbj s VAL 28 N 0.46 4.54 -0.20 2.92 1.01 -0.26 -2.15 120.40 126.72 1cbj s VAL 28 Ca -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1cbj s VAL 28 Cb -0.17 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1cbj s VAL 28 CO 0.06 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1cbj s VAL 29 N 0.54 3.16 0.23 2.92 1.01 0.51 -0.94 120.40 127.83 1cbj s VAL 29 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1cbj s VAL 29 Cb -0.13 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1cbj s VAL 29 CO 0.01 0.46 0.05 0.42 0.00 0.00 0.00 175.10 176.04 1cbj s THR 30 N 1.23 0.70 -5.00 3.92 -4.23 -0.47 -1.00 115.64 110.79 1cbj s THR 30 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1cbj s THR 30 Cb -0.14 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1cbj s THR 30 CO -0.03 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1cbj n GLY 31 N -0.39 0.87 3.30 3.99 0.00 -1.05 -0.40 105.19 111.52 1cbj n GLY 31 Ca -0.03 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1cbj n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cbj s SER 32 N -4.00 -0.29 -0.07 1.61 1.04 -1.10 -0.64 113.70 110.25 1cbj s SER 32 Ca 0.00 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.65 1cbj s SER 32 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1cbj s SER 32 CO 0.00 -0.51 -0.15 -0.63 0.98 0.00 0.00 173.24 172.93 1cbj s ILE 33 N -1.47 1.39 0.43 -1.02 1.01 -0.10 -2.10 121.20 119.33 1cbj s ILE 33 Ca -0.12 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1cbj s ILE 33 Cb -0.04 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 1cbj s ILE 33 CO 0.04 0.41 0.07 0.42 0.00 0.00 0.00 174.94 175.88 1cbj s THR 34 N 0.54 1.98 0.00 2.92 -4.23 0.11 -0.84 115.64 116.12 1cbj s THR 34 Ca -0.15 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1cbj s THR 34 Cb -0.16 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1cbj s THR 34 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1cbj n GLY 35 N -1.11 0.61 3.90 3.99 0.00 -1.09 -2.03 105.19 109.47 1cbj n GLY 35 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1cbj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cbj s LEU 36 N 0.00 3.74 0.51 0.99 1.43 -0.87 -4.33 118.68 120.16 1cbj s LEU 36 Ca 0.00 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 1cbj s LEU 36 Cb 0.00 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 1cbj s LEU 36 CO 0.00 -0.48 1.02 0.42 0.23 0.00 0.00 176.35 177.54 1cbj s THR 37 N -2.56 4.04 0.45 5.49 -4.23 -1.26 -4.03 115.64 113.54 1cbj s THR 37 Ca 0.48 1.13 -0.25 0.00 -1.18 0.00 0.00 61.69 61.87 1cbj s THR 37 Cb -0.10 -3.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.14 1cbj s THR 37 CO 0.39 -0.41 1.35 1.21 -0.54 0.00 0.00 174.62 176.62 1cbj n GLU 38 N -1.31 2.04 0.00 3.99 2.13 -1.26 -4.61 120.64 121.62 1cbj n GLU 38 Ca 0.08 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1cbj n GLU 38 Cb 0.53 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1cbj n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cbj n GLY 39 N 0.71 -0.29 3.82 8.31 0.00 -0.77 -4.91 105.19 112.06 1cbj n GLY 39 Ca 0.06 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1cbj n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cbj s ASP 40 N -4.00 7.04 -0.03 1.61 1.01 -1.26 -0.62 116.67 120.42 1cbj s ASP 40 Ca 0.00 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.64 1cbj s ASP 40 Cb 0.00 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1cbj s ASP 40 CO 0.00 0.06 0.01 -1.00 0.21 0.00 0.00 175.17 174.44 1cbj s HIS 41 N -1.49 0.32 0.50 4.23 3.76 -0.20 -2.88 115.29 119.53 1cbj s HIS 41 Ca 0.41 0.01 -0.24 0.00 -0.15 0.00 0.00 55.06 55.10 1cbj s HIS 41 Cb -0.17 -0.45 -0.07 0.00 1.11 0.00 0.00 32.58 33.01 1cbj s HIS 41 CO 0.21 -0.15 1.41 0.20 -0.85 0.00 0.00 174.74 175.56 1cbj s GLY 42 N 1.21 2.91 -0.21 -2.22 0.00 -0.38 -1.30 107.32 107.33 1cbj s GLY 42 Ca -0.07 1.43 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 1cbj s GLY 42 CO -0.02 2.01 0.12 -0.12 0.00 0.00 0.00 173.10 175.08 1cbj s PHE 43 N -1.24 0.18 0.06 1.90 5.36 -0.16 -0.50 117.98 123.58 1cbj s PHE 43 Ca 0.66 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 1cbj s PHE 43 Cb -0.43 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 1cbj s PHE 43 CO 0.53 -0.62 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.58 1cbj s HIS 44 N 2.15 0.73 -0.25 10.12 3.76 -0.80 -2.60 115.29 128.39 1cbj s HIS 44 Ca 0.05 -0.62 -0.20 0.00 -0.15 0.00 0.00 55.06 54.14 1cbj s HIS 44 Cb -0.16 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 1cbj s HIS 44 CO -0.18 -0.11 0.60 0.08 -0.85 0.00 0.00 174.74 174.28 1cbj s VAL 45 N -2.03 5.01 0.26 -0.90 1.01 -0.04 -1.26 120.40 122.46 1cbj s VAL 45 Ca -0.04 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 1cbj s VAL 45 Cb -0.06 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1cbj s VAL 45 CO -0.01 0.05 0.47 -1.00 0.00 0.00 0.00 175.10 174.62 1cbj s HIS 46 N 2.38 3.48 0.12 5.22 3.76 0.59 -1.35 115.29 129.50 1cbj s HIS 46 Ca 0.25 0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 1cbj s HIS 46 Cb -0.16 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1cbj s HIS 46 CO 0.09 0.26 1.68 0.37 -0.85 0.00 0.00 174.74 176.29 1cbj h GLN 47 N 1.62 0.51 -6.01 1.40 4.15 -0.55 -2.75 115.11 113.49 1cbj h GLN 47 Ca -0.48 -0.09 -0.65 0.00 0.77 0.00 0.00 58.65 58.20 1cbj h GLN 47 Cb 1.20 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.71 1cbj h GLN 47 CO 0.66 0.50 -0.57 -0.06 -1.93 0.00 0.00 178.83 177.42 1cbj s PHE 48 N -5.59 3.30 -0.50 3.99 0.08 -0.06 -4.66 117.98 114.53 1cbj s PHE 48 Ca -0.13 0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 1cbj s PHE 48 Cb 0.09 -1.73 0.17 0.00 -0.57 0.00 0.00 43.02 40.98 1cbj s PHE 48 CO 0.74 0.55 2.46 0.41 -0.10 0.00 0.00 175.22 179.28 1cbj n GLY 49 N 1.06 4.60 3.22 4.36 0.00 -1.06 -3.68 105.19 113.69 1cbj n GLY 49 Ca -0.12 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 1cbj n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbj s ASP 50 N -0.07 4.83 -0.32 1.61 -1.08 -1.26 -4.96 116.67 115.42 1cbj s ASP 50 Ca 0.53 -1.05 0.08 0.00 -0.52 0.00 0.00 52.55 51.58 1cbj s ASP 50 Cb 0.37 -1.75 0.48 0.00 -1.46 0.00 0.00 42.92 40.57 1cbj s ASP 50 CO -0.19 -0.22 1.44 0.59 0.52 0.00 0.00 175.17 177.30 1cbj n ASN 51 N 4.70 3.35 0.17 -0.34 3.02 -1.26 -2.99 115.26 121.92 1cbj n ASN 51 Ca -0.14 -3.80 0.02 0.00 -0.03 0.00 0.00 54.58 50.62 1cbj n ASN 51 Cb 0.45 -0.60 0.30 0.00 -0.61 0.00 0.00 39.78 39.32 1cbj n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1cbj h THR 52 N 1.24 1.26 -1.50 3.41 1.35 -1.92 -2.78 112.91 113.97 1cbj h THR 52 Ca 0.27 -1.59 -0.60 0.00 -0.55 0.00 0.00 66.41 63.94 1cbj h THR 52 Cb 1.50 1.88 -0.41 0.00 -1.73 0.00 0.00 68.15 69.38 1cbj h THR 52 CO 0.54 0.45 -0.65 0.00 -0.25 0.00 0.00 175.52 175.60 1cbj n GLN 53 N -3.90 3.41 0.00 4.72 6.02 -1.26 -5.05 117.38 121.32 1cbj n GLN 53 Ca -0.01 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.53 1cbj n GLN 53 Cb 0.49 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.50 1cbj n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cbj n GLY 54 N -0.50 2.47 0.05 1.08 0.00 -1.05 -2.34 105.19 104.90 1cbj n GLY 54 Ca 0.40 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1cbj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbj h THR 56 N 0.00 1.22 0.00 0.00 2.02 -1.80 -2.77 112.91 111.58 1cbj h THR 56 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1cbj h THR 56 Cb 0.61 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1cbj h THR 56 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1cbj n SER 57 N -4.26 0.00 0.07 4.18 3.41 -1.23 -2.77 113.62 113.02 1cbj n SER 57 Ca 0.03 -1.03 0.11 0.00 -0.26 0.00 0.00 58.87 57.71 1cbj n SER 57 Cb 0.25 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.63 1cbj n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cbj n ALA 58 N -0.90 1.80 0.00 7.33 0.00 -1.05 -4.45 120.51 123.25 1cbj n ALA 58 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1cbj n ALA 58 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1cbj n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cbj n GLY 59 N 0.31 -1.97 0.74 0.00 0.00 -1.11 -0.88 105.19 102.27 1cbj n GLY 59 Ca 0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 1cbj n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cbj n PRO 60 N 0.00 -0.13 -2.14 1.61 -0.04 -1.26 -4.62 135.00 128.42 1cbj n PRO 60 Ca 0.00 -0.41 -0.39 0.00 -0.04 0.00 0.00 63.50 62.66 1cbj n PRO 60 Cb 0.00 -0.24 -0.01 0.00 -0.04 0.00 0.00 33.50 33.21 1cbj n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1cbj s HIS 61 N -1.36 2.87 0.05 0.54 3.76 -1.26 -0.33 115.29 119.57 1cbj s HIS 61 Ca 0.14 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.22 1cbj s HIS 61 Cb -0.00 -3.56 -0.08 0.00 1.11 0.00 0.00 32.58 30.04 1cbj s HIS 61 CO 0.10 -1.82 1.76 0.12 -0.85 0.00 0.00 174.74 174.04 1cbj s PHE 62 N -1.34 2.04 -0.44 1.40 5.36 -0.45 -4.51 117.98 120.02 1cbj s PHE 62 Ca 0.58 0.05 0.07 0.00 -0.96 0.00 0.00 56.93 56.68 1cbj s PHE 62 Cb -0.35 -4.06 0.25 0.00 -0.34 0.00 0.00 43.02 38.51 1cbj s PHE 62 CO 0.44 -4.46 0.73 -1.71 -1.46 0.00 0.00 175.22 168.77 1cbj n ASN 63 N 6.30 -1.52 0.28 6.13 5.15 -1.26 -1.47 115.26 128.87 1cbj n ASN 63 Ca 0.17 -3.05 0.16 0.00 -0.60 0.00 0.00 54.58 51.27 1cbj n ASN 63 Cb 0.40 0.74 0.77 0.00 -0.53 0.00 0.00 39.78 41.17 1cbj n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cbj h PRO 64 N 3.97 0.00 -0.55 1.20 0.13 -1.95 -2.16 132.00 132.63 1cbj h PRO 64 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1cbj h PRO 64 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1cbj h PRO 64 CO 0.38 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 1cbj n LEU 65 N -3.25 3.40 -3.84 1.56 4.77 -1.26 -4.98 117.00 113.40 1cbj n LEU 65 Ca -0.01 -1.62 -0.24 0.00 -0.03 0.00 0.00 56.01 54.12 1cbj n LEU 65 Cb 0.26 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1cbj n LEU 65 CO 0.27 0.81 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.79 1cbj n SER 66 N 1.38 -0.81 -4.95 -1.43 7.64 -0.81 -5.01 113.62 109.63 1cbj n SER 66 Ca 0.21 -0.92 -0.21 0.00 1.01 0.00 0.00 58.87 58.97 1cbj n SER 66 Cb 0.56 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1cbj n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1cbj s LYS 67 N -6.29 2.50 0.56 1.43 1.02 -1.26 -5.13 119.74 112.56 1cbj s LYS 67 Ca 0.03 -1.58 -0.06 0.00 0.02 0.00 0.00 55.97 54.38 1cbj s LYS 67 Cb -0.01 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1cbj s LYS 67 CO 0.85 -0.44 0.87 0.15 -0.92 0.00 0.00 175.35 175.87 1cbj s LYS 68 N -4.33 3.09 0.46 1.68 1.02 -1.26 -4.75 119.74 115.66 1cbj s LYS 68 Ca 0.50 0.05 -0.24 0.00 0.02 0.00 0.00 55.97 56.30 1cbj s LYS 68 Cb -0.05 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1cbj s LYS 68 CO 0.30 -0.57 1.31 -1.58 -0.92 0.00 0.00 175.35 173.89 1cbj s HIS 69 N -2.93 2.64 0.00 3.18 5.65 -0.26 -3.33 115.29 120.24 1cbj s HIS 69 Ca 0.52 1.40 0.00 0.00 0.25 0.00 0.00 55.06 57.24 1cbj s HIS 69 Cb -0.10 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.61 1cbj s HIS 69 CO 0.45 -2.31 0.00 0.41 -0.65 0.00 0.00 174.74 172.64 1cbj n GLY 70 N 0.62 2.69 3.96 1.59 0.00 -1.25 -4.31 105.19 108.50 1cbj n GLY 70 Ca 0.06 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 1cbj n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cbj s GLY 71 N -0.84 1.64 0.55 -0.02 0.00 -1.23 -4.66 107.32 102.78 1cbj s GLY 71 Ca 0.00 -1.13 0.23 0.00 0.00 0.00 0.00 44.72 43.82 1cbj s GLY 71 CO 0.00 -0.92 2.20 -0.56 0.00 0.00 0.00 173.10 173.81 1cbj h PRO 72 N 0.29 0.00 -0.01 2.90 0.13 -1.88 -2.16 132.00 131.28 1cbj h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1cbj h PRO 72 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1cbj h PRO 72 CO 0.56 0.01 -0.14 1.63 -0.23 0.00 0.00 178.00 179.83 1cbj n LYS 73 N -4.16 1.12 -2.83 0.86 5.02 -1.26 -4.92 118.16 111.98 1cbj n LYS 73 Ca -0.03 -0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 55.33 1cbj n LYS 73 Cb 0.09 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1cbj n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cbj s ASP 74 N -2.30 6.81 0.17 4.39 1.01 -0.81 -4.99 116.67 120.96 1cbj s ASP 74 Ca 0.31 1.52 -0.08 0.00 0.71 0.00 0.00 52.55 55.01 1cbj s ASP 74 Cb 0.20 -2.48 0.05 0.00 1.01 0.00 0.00 42.92 41.71 1cbj s ASP 74 CO 0.44 -0.36 1.55 -0.33 0.21 0.00 0.00 175.17 176.68 1cbj h GLU 75 N 1.78 0.89 -4.33 8.23 5.08 -1.91 -3.39 114.58 120.94 1cbj h GLU 75 Ca -0.48 -0.41 -0.74 0.00 -1.00 0.00 0.00 59.36 56.73 1cbj h GLU 75 Cb 1.18 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 1cbj h GLU 75 CO 0.62 1.06 0.01 -2.00 -1.00 0.00 0.00 179.01 177.70 1cbj s GLU 76 N -4.54 3.13 0.18 2.33 2.56 -1.26 -4.98 118.70 116.12 1cbj s GLU 76 Ca -0.10 -1.67 -0.18 0.00 0.00 0.00 0.00 54.97 53.01 1cbj s GLU 76 Cb 0.12 -4.34 0.04 0.00 2.00 0.00 0.00 34.13 31.95 1cbj s GLU 76 CO 0.86 -1.43 0.52 -0.98 -0.56 0.00 0.00 175.26 173.67 1cbj s ARG 77 N 1.86 1.31 0.52 4.30 1.70 -1.21 -3.78 118.95 123.66 1cbj s ARG 77 Ca 0.10 -0.77 -0.16 0.00 -0.47 0.00 0.00 55.73 54.42 1cbj s ARG 77 Cb -0.24 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 1cbj s ARG 77 CO 0.02 -0.55 0.99 -1.01 -1.08 0.00 0.00 175.30 173.67 1cbj s HIS 78 N -3.84 3.42 0.43 5.89 3.76 -1.21 -4.69 115.29 119.05 1cbj s HIS 78 Ca 0.07 1.47 0.09 0.00 -0.15 0.00 0.00 55.06 56.53 1cbj s HIS 78 Cb -0.01 -2.81 0.93 0.00 1.11 0.00 0.00 32.58 31.81 1cbj s HIS 78 CO -0.06 -0.43 2.07 0.28 -0.85 0.00 0.00 174.74 175.75 1cbj h VAL 79 N 0.86 1.09 0.00 -0.90 2.07 -1.86 -1.53 116.25 115.97 1cbj h VAL 79 Ca -0.47 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1cbj h VAL 79 Cb 1.19 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1cbj h VAL 79 CO 0.61 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1cbj n GLY 80 N -1.44 -0.86 3.55 2.17 0.00 -0.54 -4.57 105.19 103.51 1cbj n GLY 80 Ca 0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1cbj n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cbj s ASP 81 N -2.15 6.29 -0.12 1.61 1.01 -0.58 -0.86 116.67 121.88 1cbj s ASP 81 Ca 0.34 -0.83 0.18 0.00 0.71 0.00 0.00 52.55 52.94 1cbj s ASP 81 Cb 0.17 -2.56 0.70 0.00 1.01 0.00 0.00 42.92 42.24 1cbj s ASP 81 CO 0.31 -1.71 1.61 0.18 0.21 0.00 0.00 175.17 175.77 1cbj n LEU 82 N 9.18 4.71 0.00 1.23 4.77 -1.07 -3.70 117.00 132.12 1cbj n LEU 82 Ca 0.14 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1cbj n LEU 82 Cb 0.50 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1cbj n LEU 82 CO 0.69 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.16 1cbj n GLY 83 N 0.99 0.34 3.41 -0.72 0.00 -1.23 -4.81 105.19 103.15 1cbj n GLY 83 Ca 0.25 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1cbj n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cbj s ASN 84 N -4.00 3.39 0.09 1.61 0.01 -1.26 -0.99 114.94 113.78 1cbj s ASN 84 Ca 0.00 -0.78 0.05 0.00 -0.71 0.00 0.00 52.86 51.42 1cbj s ASN 84 Cb 0.00 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.37 1cbj s ASN 84 CO 0.00 0.16 -0.01 0.68 -1.51 0.00 0.00 177.10 176.42 1cbj s VAL 85 N -1.25 3.94 -0.15 1.60 -7.23 -0.42 -4.91 120.40 111.97 1cbj s VAL 85 Ca 0.16 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1cbj s VAL 85 Cb -0.09 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1cbj s VAL 85 CO 0.07 0.13 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.91 1cbj s THR 86 N -1.29 2.33 0.01 5.32 2.01 -1.26 -1.04 115.64 121.72 1cbj s THR 86 Ca 0.25 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1cbj s THR 86 Cb -0.12 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1cbj s THR 86 CO 0.17 0.53 0.33 0.00 -0.69 0.00 0.00 174.62 174.97 1cbj s ALA 87 N 0.91 3.77 0.94 7.40 0.00 0.21 -4.31 121.76 130.68 1cbj s ALA 87 Ca -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1cbj s ALA 87 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1cbj s ALA 87 CO -0.03 0.57 0.15 -0.40 0.00 0.00 0.00 175.76 176.05 1cbj n ASP 88 N 1.41 0.03 0.29 0.00 5.68 0.06 -1.84 116.55 122.17 1cbj n ASP 88 Ca -0.12 -1.06 0.18 0.00 -0.50 0.00 0.00 54.79 53.28 1cbj n ASP 88 Cb 0.53 -0.11 0.85 0.00 -1.14 0.00 0.00 41.12 41.24 1cbj n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1cbj h LYS 89 N 0.00 0.00 -0.05 0.11 5.09 -1.97 -1.01 116.57 118.75 1cbj h LYS 89 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1cbj h LYS 89 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 1cbj h LYS 89 CO 0.04 0.03 0.00 0.09 -2.09 0.00 0.00 179.45 177.51 1cbj n ASN 90 N -3.19 1.32 0.00 7.07 3.02 -1.26 -4.85 115.26 117.38 1cbj n ASN 90 Ca -0.01 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1cbj n ASN 90 Cb 0.23 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1cbj n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cbj n GLY 91 N 1.13 0.60 3.63 7.41 0.00 -0.38 -4.74 105.19 112.85 1cbj n GLY 91 Ca 0.19 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1cbj n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbj s VAL 92 N -2.00 4.56 -0.15 1.61 1.01 -1.26 -2.05 120.40 122.12 1cbj s VAL 92 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1cbj s VAL 92 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1cbj s VAL 92 CO 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.42 1cbj s ALA 93 N 0.03 2.37 -0.13 5.51 0.00 -0.02 -0.76 121.76 128.76 1cbj s ALA 93 Ca 0.04 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 1cbj s ALA 93 Cb -0.12 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1cbj s ALA 93 CO 0.01 -0.03 0.37 0.42 0.00 0.00 0.00 175.76 176.53 1cbj s ILE 94 N 0.82 5.24 -0.21 0.00 -1.09 -1.26 -0.92 121.20 123.78 1cbj s ILE 94 Ca -0.06 0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 58.98 1cbj s ILE 94 Cb -0.15 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1cbj s ILE 94 CO -0.01 0.39 0.12 -0.69 -1.23 0.00 0.00 174.94 173.53 1cbj s VAL 95 N 0.33 5.29 -0.38 2.92 1.01 0.19 -4.77 120.40 125.00 1cbj s VAL 95 Ca 0.21 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1cbj s VAL 95 Cb -0.14 -3.42 0.16 0.00 0.00 0.00 0.00 36.38 32.98 1cbj s VAL 95 CO 0.07 0.42 0.46 -0.62 0.00 0.00 0.00 175.10 175.43 1cbj s ASP 96 N 0.52 0.30 0.06 3.32 -1.08 -1.24 -2.53 116.67 116.02 1cbj s ASP 96 Ca 0.07 -1.27 0.05 0.00 -0.52 0.00 0.00 52.55 50.88 1cbj s ASP 96 Cb -0.12 1.02 -0.03 0.00 -1.46 0.00 0.00 42.92 42.33 1cbj s ASP 96 CO -0.00 -0.24 -0.15 -0.63 0.52 0.00 0.00 175.17 174.67 1cbj s ILE 97 N 1.62 1.16 -0.07 4.11 1.01 -0.17 -5.00 121.20 123.85 1cbj s ILE 97 Ca 0.16 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1cbj s ILE 97 Cb -0.12 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1cbj s ILE 97 CO -0.06 -0.11 -0.13 -0.69 0.00 0.00 0.00 174.94 173.95 1cbj s VAL 98 N -1.08 1.22 -0.00 2.92 1.01 -1.26 -0.36 120.40 122.84 1cbj s VAL 98 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1cbj s VAL 98 Cb -0.09 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1cbj s VAL 98 CO 0.02 0.38 -0.13 -0.62 0.00 0.00 0.00 175.10 174.74 1cbj s ASP 99 N 0.73 1.56 0.00 3.32 2.15 -0.91 -5.02 116.67 118.49 1cbj s ASP 99 Ca -0.13 -0.28 0.26 0.00 0.43 0.00 0.00 52.55 52.83 1cbj s ASP 99 Cb -0.16 -0.16 0.62 0.00 -0.30 0.00 0.00 42.92 42.92 1cbj s ASP 99 CO 0.03 0.14 1.49 -0.81 -0.17 0.00 0.00 175.17 175.85 1cbj n PRO 100 N 2.60 1.62 -0.07 4.34 -0.04 -1.26 -3.61 135.00 138.58 1cbj n PRO 100 Ca -0.15 -1.14 -0.08 0.00 -0.04 0.00 0.00 63.50 62.09 1cbj n PRO 100 Cb 0.55 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1cbj n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cbj n LEU 101 N 0.30 0.99 -4.81 1.53 7.99 -1.26 -4.98 117.00 116.76 1cbj n LEU 101 Ca 0.15 -0.03 -0.31 0.00 -0.01 0.00 0.00 56.01 55.81 1cbj n LEU 101 Cb 0.44 0.02 0.07 0.00 -0.11 0.00 0.00 43.42 43.84 1cbj n LEU 101 CO 0.20 0.48 0.71 0.27 -1.51 0.00 0.00 177.39 177.53 1cbj s ILE 102 N -2.33 3.56 0.24 -0.08 -4.36 -1.26 -4.87 121.20 112.10 1cbj s ILE 102 Ca -0.12 0.51 -0.09 0.00 -0.26 0.00 0.00 60.65 60.68 1cbj s ILE 102 Cb 0.05 -3.22 -0.01 0.00 1.25 0.00 0.00 42.46 40.52 1cbj s ILE 102 CO 0.49 -0.66 0.39 -0.55 0.24 0.00 0.00 174.94 174.85 1cbj s SER 103 N -3.80 0.02 0.00 4.36 0.15 -0.98 -4.67 113.70 108.78 1cbj s SER 103 Ca 0.59 -1.07 0.16 0.00 0.70 0.00 0.00 55.95 56.33 1cbj s SER 103 Cb -0.14 0.54 0.33 0.00 -1.71 0.00 0.00 66.02 65.04 1cbj s SER 103 CO 0.55 -1.07 1.25 0.18 1.20 0.00 0.00 173.24 175.34 1cbj n LEU 104 N -0.36 3.00 -3.52 3.45 4.77 -1.26 -1.47 117.00 121.61 1cbj n LEU 104 Ca -0.01 -1.64 -0.16 0.00 -0.03 0.00 0.00 56.01 54.17 1cbj n LEU 104 Cb 0.63 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1cbj n LEU 104 CO 0.25 0.69 0.38 -0.94 -1.33 0.00 0.00 177.39 176.45 1cbj s SER 105 N -1.13 -0.58 0.00 -1.43 1.04 -1.26 -4.06 113.70 106.28 1cbj s SER 105 Ca 0.29 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1cbj s SER 105 Cb 0.16 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1cbj s SER 105 CO 0.22 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1cbj n GLY 106 N 0.54 -1.70 0.28 7.32 0.00 -1.26 -4.05 105.19 106.31 1cbj n GLY 106 Ca -0.19 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.32 1cbj n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cbj h GLU 107 N 0.00 0.29 -0.64 1.61 4.81 -2.01 -1.66 114.58 116.99 1cbj h GLU 107 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1cbj h GLU 107 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1cbj h GLU 107 CO 0.00 0.23 0.00 0.66 -0.73 0.00 0.00 179.01 179.17 1cbj n TYR 108 N -4.46 0.93 -1.77 0.92 4.01 -1.26 -4.98 117.16 110.55 1cbj n TYR 108 Ca 0.00 -0.44 -0.41 0.00 -0.16 0.00 0.00 57.90 56.89 1cbj n TYR 108 Cb 0.11 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 1cbj n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1cbj s SER 109 N -0.97 6.34 0.00 7.72 0.15 -0.63 -2.31 113.70 124.01 1cbj s SER 109 Ca 0.43 3.02 0.20 0.00 0.70 0.00 0.00 55.95 60.30 1cbj s SER 109 Cb 0.23 -2.65 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1cbj s SER 109 CO 0.28 -0.91 1.08 2.30 1.20 0.00 0.00 173.24 177.19 1cbj n ILE 110 N 1.36 0.00 -1.84 6.45 -5.35 -0.54 -4.90 119.36 114.53 1cbj n ILE 110 Ca 0.05 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1cbj n ILE 110 Cb 0.38 1.35 -0.02 0.00 -1.74 0.00 0.00 39.64 39.61 1cbj n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1cbj s ILE 111 N -1.89 2.28 0.00 7.28 -1.09 -1.26 -1.54 121.20 124.98 1cbj s ILE 111 Ca 0.21 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1cbj s ILE 111 Cb 0.16 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1cbj s ILE 111 CO 0.34 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1cbj n GLY 112 N 3.02 0.77 1.98 6.18 0.00 0.25 -4.99 105.19 112.40 1cbj n GLY 112 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1cbj n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj n ARG 113 N -2.30 0.91 -5.14 1.61 1.74 -0.59 -2.58 116.66 110.32 1cbj n ARG 113 Ca 0.00 -1.67 -0.32 0.00 -0.77 0.00 0.00 57.85 55.09 1cbj n ARG 113 Cb 0.00 0.01 -0.16 0.00 -1.02 0.00 0.00 32.46 31.29 1cbj n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cbj s THR 114 N -1.08 2.29 -0.05 0.55 2.01 -1.04 -0.81 115.64 117.52 1cbj s THR 114 Ca 0.25 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1cbj s THR 114 Cb -0.02 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1cbj s THR 114 CO 0.16 0.56 0.47 -0.32 -0.69 0.00 0.00 174.62 174.80 1cbj s MET 115 N 0.06 4.18 -0.03 4.92 1.75 -0.49 -0.30 119.30 129.40 1cbj s MET 115 Ca -0.09 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 54.87 1cbj s MET 115 Cb -0.15 -3.33 -0.01 0.00 2.84 0.00 0.00 34.83 34.18 1cbj s MET 115 CO 0.06 0.42 -0.15 0.08 -0.65 0.00 0.00 175.02 174.77 1cbj s VAL 116 N -0.23 1.25 -0.13 10.11 1.01 -0.39 -1.97 120.40 130.05 1cbj s VAL 116 Ca 0.26 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1cbj s VAL 116 Cb -0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1cbj s VAL 116 CO 0.13 0.36 -0.10 0.54 0.00 0.00 0.00 175.10 176.03 1cbj s VAL 117 N -0.14 3.34 0.34 2.92 0.11 -0.69 -1.91 120.40 124.38 1cbj s VAL 117 Ca 0.01 -0.56 0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1cbj s VAL 117 Cb -0.08 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1cbj s VAL 117 CO 0.01 0.52 0.37 -1.00 -3.33 0.00 0.00 175.10 171.67 1cbj s HIS 118 N 0.25 2.96 0.13 1.54 3.76 0.35 -1.07 115.29 123.21 1cbj s HIS 118 Ca -0.07 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.42 1cbj s HIS 118 Cb -0.15 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1cbj s HIS 118 CO 0.04 0.07 1.54 1.49 -0.85 0.00 0.00 174.74 177.03 1cbj h GLU 119 N 1.08 0.83 -5.95 1.40 4.81 -0.97 -3.37 114.58 112.41 1cbj h GLU 119 Ca -0.45 -0.32 -0.57 0.00 -0.13 0.00 0.00 59.36 57.90 1cbj h GLU 119 Cb 1.26 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 1cbj h GLU 119 CO 0.56 0.95 -0.53 0.15 -0.73 0.00 0.00 179.01 179.41 1cbj s LYS 120 N -4.79 2.22 0.53 1.92 1.02 -0.02 -4.88 119.74 115.75 1cbj s LYS 120 Ca -0.12 -1.78 -0.22 0.00 0.02 0.00 0.00 55.97 53.87 1cbj s LYS 120 Cb 0.11 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1cbj s LYS 120 CO 0.83 -0.03 1.33 -2.14 -0.92 0.00 0.00 175.35 174.42 1cbj s PRO 121 N -3.86 3.23 -0.08 -1.68 0.02 -1.14 -1.25 135.00 130.25 1cbj s PRO 121 Ca 0.39 2.16 -0.25 0.00 0.02 0.00 0.00 61.00 63.32 1cbj s PRO 121 Cb 0.02 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1cbj s PRO 121 CO 0.22 -1.09 0.78 0.34 -0.33 0.00 0.00 177.00 176.92 1cbj s ASP 122 N -1.02 7.05 0.00 2.53 -1.08 -1.26 -4.04 116.67 118.85 1cbj s ASP 122 Ca 0.70 1.28 0.06 0.00 -0.52 0.00 0.00 52.55 54.07 1cbj s ASP 122 Cb -0.39 -2.45 0.18 0.00 -1.46 0.00 0.00 42.92 38.80 1cbj s ASP 122 CO 0.46 -0.21 1.15 -0.90 0.52 0.00 0.00 175.17 176.19 1cbj n ASP 123 N 4.14 1.08 -2.11 -0.34 5.68 -0.11 -4.89 116.55 120.00 1cbj n ASP 123 Ca 0.01 -2.00 -0.21 0.00 -0.50 0.00 0.00 54.79 52.10 1cbj n ASP 123 Cb 0.51 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 1cbj n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1cbj n LEU 124 N 0.09 -1.79 0.00 -2.12 7.99 -1.26 -2.24 117.00 117.67 1cbj n LEU 124 Ca 0.07 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 1cbj n LEU 124 Cb 0.17 -2.91 0.00 0.00 -0.11 0.00 0.00 43.42 40.57 1cbj n LEU 124 CO 0.05 -0.53 0.00 0.61 -1.51 0.00 0.00 177.39 176.01 1cbj n GLY 125 N -0.79 0.59 0.76 -0.72 0.00 -1.26 -3.47 105.19 100.31 1cbj n GLY 125 Ca -0.23 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1cbj n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj n ARG 126 N -2.81 2.92 0.22 1.61 1.74 -0.95 -4.65 116.66 114.75 1cbj n ARG 126 Ca 0.00 -2.40 0.10 0.00 -0.77 0.00 0.00 57.85 54.78 1cbj n ARG 126 Cb 0.00 -1.52 0.45 0.00 -1.02 0.00 0.00 32.46 30.36 1cbj n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1cbj h GLY 127 N 1.96 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 99.53 1cbj h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cbj h GLY 127 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1cbj n GLY 128 N 0.22 0.67 3.71 4.60 0.00 -1.26 -5.02 105.19 108.11 1cbj n GLY 128 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1cbj n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj s ASN 129 N -2.97 4.32 0.27 1.61 2.20 -1.26 -5.04 114.94 114.08 1cbj s ASN 129 Ca 0.00 -1.09 -0.03 0.00 -0.94 0.00 0.00 52.86 50.79 1cbj s ASN 129 Cb 0.00 -0.49 0.38 0.00 -2.00 0.00 0.00 41.25 39.14 1cbj s ASN 129 CO 0.00 -0.48 1.93 -0.08 -2.94 0.00 0.00 177.10 175.53 1cbj h GLU 130 N 1.53 1.18 -0.42 3.55 4.81 -2.01 -2.72 114.58 120.51 1cbj h GLU 130 Ca -0.43 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1cbj h GLU 130 Cb 1.25 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1cbj h GLU 130 CO 0.71 0.78 0.26 1.49 -0.73 0.00 0.00 179.01 181.52 1cbj h GLU 131 N 1.22 0.56 -0.89 1.92 4.57 -2.00 -1.47 114.58 118.48 1cbj h GLU 131 Ca 0.36 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 1cbj h GLU 131 Cb -0.05 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.36 1cbj h GLU 131 CO -0.10 0.39 0.58 1.03 -1.18 0.00 0.00 179.01 179.72 1cbj h SER 132 N 0.57 0.85 0.48 1.04 0.87 -1.83 0.11 113.55 115.64 1cbj h SER 132 Ca 0.15 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1cbj h SER 132 Cb -0.03 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1cbj h SER 132 CO -0.03 0.53 0.00 0.35 -0.53 0.00 0.00 176.83 177.15 1cbj n THR 133 N -4.51 0.19 -0.06 2.23 -2.24 -0.56 -2.01 114.28 107.33 1cbj n THR 133 Ca 0.14 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.84 1cbj n THR 133 Cb 0.24 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1cbj n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cbj n LYS 134 N -1.29 0.30 0.00 -0.78 5.02 -0.68 -1.10 118.16 119.63 1cbj n LYS 134 Ca 0.12 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1cbj n LYS 134 Cb 0.20 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1cbj n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cbj n THR 135 N -3.73 0.00 -1.01 -0.18 -2.24 -0.06 -4.67 114.28 102.40 1cbj n THR 135 Ca -0.23 -0.34 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1cbj n THR 135 Cb 0.60 1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1cbj n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cbj n GLY 136 N 0.20 0.38 2.90 3.38 0.00 -0.85 -2.74 105.19 108.46 1cbj n GLY 136 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1cbj n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cbj n ASN 137 N -0.22 -5.68 0.12 1.61 3.02 -1.25 -0.93 115.26 111.91 1cbj n ASN 137 Ca -0.00 -0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 1cbj n ASN 137 Cb 0.14 -4.64 0.42 0.00 -0.61 0.00 0.00 39.78 35.09 1cbj n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cbj h ALA 138 N 1.00 1.00 -0.15 5.41 0.00 -1.65 -3.44 119.26 121.43 1cbj h ALA 138 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1cbj h ALA 138 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1cbj h ALA 138 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1cbj n GLY 139 N 1.01 -0.71 3.68 0.00 0.00 -1.26 -0.84 105.19 107.07 1cbj n GLY 139 Ca 0.05 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1cbj n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cbj s SER 140 N -4.00 3.09 -0.47 1.61 1.04 -1.26 -4.61 113.70 109.10 1cbj s SER 140 Ca 0.00 2.24 -0.18 0.00 0.48 0.00 0.00 55.95 58.49 1cbj s SER 140 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.60 1cbj s SER 140 CO 0.00 -2.99 0.51 -0.13 0.98 0.00 0.00 173.24 171.61 1cbj s ARG 141 N -4.52 3.08 0.10 4.02 0.52 -1.26 -0.87 118.95 120.01 1cbj s ARG 141 Ca 0.68 -0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 54.87 1cbj s ARG 141 Cb -0.24 -4.07 -0.19 0.00 0.52 0.00 0.00 34.95 30.97 1cbj s ARG 141 CO 0.56 -1.06 1.22 -0.07 0.02 0.00 0.00 175.30 175.97 1cbj h LEU 142 N 9.26 0.49 -7.12 2.53 3.38 -1.41 -3.48 115.31 118.96 1cbj h LEU 142 Ca -0.27 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1cbj h LEU 142 Cb 1.10 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1cbj h LEU 142 CO 0.89 1.30 0.11 0.00 0.09 0.00 0.00 178.44 180.83 1cbj s ALA 143 N -2.96 -1.45 0.22 1.53 0.00 -1.21 -4.20 121.76 113.70 1cbj s ALA 143 Ca -0.05 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.27 1cbj s ALA 143 Cb 0.08 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.80 1cbj s ALA 143 CO 0.88 -0.61 0.68 0.00 0.00 0.00 0.00 175.76 176.71 1cbj s GLY 145 N -2.84 -0.60 0.13 0.00 0.00 -0.83 -1.56 107.32 101.62 1cbj s GLY 145 Ca 0.07 0.46 -0.24 0.00 0.00 0.00 0.00 44.72 45.01 1cbj s GLY 145 CO -0.02 0.14 0.72 0.14 0.00 0.00 0.00 173.10 174.08 1cbj s VAL 146 N -3.75 4.49 -0.22 1.40 1.01 -1.26 -1.40 120.40 120.67 1cbj s VAL 146 Ca 0.01 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 1cbj s VAL 146 Cb -0.01 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1cbj s VAL 146 CO -0.13 0.52 0.80 -0.63 0.00 0.00 0.00 175.10 175.67 1cbj s ILE 147 N -1.07 4.87 0.35 2.22 1.01 0.01 -4.55 121.20 124.04 1cbj s ILE 147 Ca 0.34 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.61 1cbj s ILE 147 Cb -0.22 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1cbj s ILE 147 CO 0.24 -0.02 -0.08 -0.83 0.00 0.00 0.00 174.94 174.25 1cbj s GLY 148 N 1.28 2.22 0.17 6.18 0.00 -0.04 -0.59 107.32 116.54 1cbj s GLY 148 Ca 0.35 -2.11 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 1cbj s GLY 148 CO 0.09 -2.03 1.24 -0.42 0.00 0.00 0.00 173.10 171.98 1cbj s ILE 149 N -2.65 3.49 0.29 0.90 1.01 -1.26 -1.00 121.20 121.98 1cbj s ILE 149 Ca 0.33 1.21 0.11 0.00 0.00 0.00 0.00 60.65 62.30 1cbj s ILE 149 Cb 0.04 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1cbj s ILE 149 CO 0.16 0.17 -0.12 0.00 0.00 0.00 0.00 174.94 175.16 1cbj s ALA 150 N 0.17 2.92 -2.00 9.38 0.00 -0.69 -4.79 121.76 126.75 1cbj s ALA 150 Ca 0.55 -1.86 0.29 0.00 0.00 0.00 0.00 51.96 50.94 1cbj s ALA 150 Cb -0.34 -0.37 1.74 0.00 0.00 0.00 0.00 23.12 24.15 1cbj s ALA 150 CO 0.36 0.23 2.07 1.17 0.00 0.00 0.00 175.76 179.59